USER MOD reduce.3.24.130724 H: found=0, std=0, add=800, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 801 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 78 LYS NZ :NH3+ 180:sc= 0.655 (180deg=0) USER MOD Set 1.2: A 86 THR OG1 : rot -14:sc= -2.46 USER MOD Set 2.1: A 71 ASN : amide:sc= -4.77! C(o=-6.2!,f=-10!) USER MOD Set 2.2: A 90 SER OG : rot 47:sc= -1.45 USER MOD Set 3.1: A 19 ASN :FLIP amide:sc= -0.841! F(o=-3.7,f=0.16!) USER MOD Set 3.2: A 21 SER OG : rot -40:sc= 0.947 USER MOD Set 3.3: A 57 LYS NZ :NH3+ -138:sc= 0.0516 (180deg=-1.44) USER MOD Set 4.1: A 35 SER OG : rot 140:sc= -0.0238 USER MOD Set 4.2: A 38 ASN : amide:sc= -6.87! C(o=-6.9!,f=-7.1!) USER MOD Set 5.1: A 33 ASN :FLIP amide:sc= -1.97 F(o=-3.4!,f=-2) USER MOD Set 5.2: A 36 LYS NZ :NH3+ 159:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot -170:sc= -0.983 USER MOD Single : A 13 THR OG1 : rot 180:sc= -1.38 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 155:sc= -0.0967 (180deg=-0.758) USER MOD Single : A 39 HIS : no HD1:sc= -3.36 X(o=-3.4,f=-3.7) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 15:sc= 0.252 USER MOD Single : A 51 ASN : amide:sc= 0.712 K(o=0.71,f=-0.82) USER MOD Single : A 56 SER OG : rot -81:sc= 0.39 USER MOD Single : A 64 ASN :FLIP amide:sc= -1.71 F(o=-3.2!,f=-1.7) USER MOD Single : A 66 GLN : amide:sc= -2.25 K(o=-2.2,f=-5.2!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -6.8! C(o=-6.8!,f=-7.5!) USER MOD Single : A 81 GLN :FLIP amide:sc= -0.309 F(o=-1.9,f=-0.31) USER MOD Single : A 84 MET CE :methyl -170:sc= -4.77! (180deg=-4.97!) USER MOD Single : A 91 MET CE :methyl 165:sc= -5.21! (180deg=-6.37!) USER MOD Single : A 92 SER OG : rot 70:sc= 1.23 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 ASN :FLIP amide:sc= -4.21! C(o=-7.2!,f=-4.2!) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 MET CE :methyl -162:sc= -2.4! (180deg=-4.09!) USER MOD Single : A 102 GLN :FLIP amide:sc= -0.894 F(o=-2.2,f=-0.89) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 7 -6.432 -9.300 -17.280 1.00 0.00 N ATOM 2 CA GLY A 7 -7.401 -10.027 -16.485 1.00 0.00 C ATOM 3 C GLY A 7 -7.470 -9.504 -15.066 1.00 0.00 C ATOM 4 O GLY A 7 -8.528 -9.075 -14.606 1.00 0.00 O ATOM 0 HA2 GLY A 7 -8.384 -9.949 -16.949 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.139 -11.085 -16.470 1.00 0.00 H new ATOM 8 N THR A 8 -6.334 -9.531 -14.374 1.00 0.00 N ATOM 9 CA THR A 8 -6.261 -9.049 -13.003 1.00 0.00 C ATOM 10 C THR A 8 -4.839 -8.624 -12.657 1.00 0.00 C ATOM 11 O THR A 8 -3.902 -8.876 -13.416 1.00 0.00 O ATOM 12 CB THR A 8 -6.738 -10.122 -12.018 1.00 0.00 C ATOM 13 OG1 THR A 8 -5.673 -10.983 -11.656 1.00 0.00 O ATOM 14 CG2 THR A 8 -7.860 -10.984 -12.555 1.00 0.00 C ATOM 0 H THR A 8 -5.451 -9.883 -14.744 1.00 0.00 H new ATOM 0 HA THR A 8 -6.918 -8.184 -12.920 1.00 0.00 H new ATOM 0 HB THR A 8 -7.111 -9.568 -11.157 1.00 0.00 H new ATOM 0 HG1 THR A 8 -6.027 -11.749 -11.157 1.00 0.00 H new ATOM 0 HG21 THR A 8 -8.145 -11.720 -11.803 1.00 0.00 H new ATOM 0 HG22 THR A 8 -8.719 -10.357 -12.792 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.525 -11.497 -13.457 1.00 0.00 H new ATOM 22 N ARG A 9 -4.686 -7.979 -11.507 1.00 0.00 N ATOM 23 CA ARG A 9 -3.380 -7.515 -11.052 1.00 0.00 C ATOM 24 C ARG A 9 -2.797 -6.489 -12.015 1.00 0.00 C ATOM 25 O ARG A 9 -2.659 -6.750 -13.210 1.00 0.00 O ATOM 26 CB ARG A 9 -2.418 -8.694 -10.899 1.00 0.00 C ATOM 27 CG ARG A 9 -2.595 -9.448 -9.594 1.00 0.00 C ATOM 28 CD ARG A 9 -1.290 -10.075 -9.130 1.00 0.00 C ATOM 29 NE ARG A 9 -1.486 -10.971 -7.994 1.00 0.00 N ATOM 30 CZ ARG A 9 -1.767 -10.556 -6.761 1.00 0.00 C ATOM 31 NH1 ARG A 9 -1.886 -9.260 -6.501 1.00 0.00 N ATOM 32 NH2 ARG A 9 -1.929 -11.438 -5.785 1.00 0.00 N ATOM 0 H ARG A 9 -5.453 -7.764 -10.870 1.00 0.00 H new ATOM 0 HA ARG A 9 -3.514 -7.037 -10.081 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -2.563 -9.383 -11.731 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -1.393 -8.328 -10.963 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -2.966 -8.768 -8.827 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -3.348 -10.226 -9.721 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -0.841 -10.628 -9.955 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -0.588 -9.288 -8.854 1.00 0.00 H new ATOM 0 HE ARG A 9 -1.403 -11.975 -8.155 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -1.762 -8.577 -7.248 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -2.101 -8.947 -5.554 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -1.838 -12.435 -5.979 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -2.144 -11.119 -4.840 1.00 0.00 H new ATOM 46 N GLU A 10 -2.459 -5.320 -11.487 1.00 0.00 N ATOM 47 CA GLU A 10 -1.891 -4.252 -12.300 1.00 0.00 C ATOM 48 C GLU A 10 -1.080 -3.283 -11.445 1.00 0.00 C ATOM 49 O GLU A 10 -1.514 -2.880 -10.364 1.00 0.00 O ATOM 50 CB GLU A 10 -3.000 -3.496 -13.033 1.00 0.00 C ATOM 51 CG GLU A 10 -4.050 -2.906 -12.107 1.00 0.00 C ATOM 52 CD GLU A 10 -5.030 -2.007 -12.834 1.00 0.00 C ATOM 53 OE1 GLU A 10 -5.810 -2.524 -13.661 1.00 0.00 O ATOM 54 OE2 GLU A 10 -5.017 -0.784 -12.577 1.00 0.00 O ATOM 0 H GLU A 10 -2.568 -5.087 -10.500 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.223 -4.706 -13.032 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.554 -2.694 -13.621 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.486 -4.173 -13.735 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.596 -3.715 -11.621 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -3.556 -2.337 -11.320 1.00 0.00 H new ATOM 61 N PHE A 11 0.097 -2.912 -11.936 1.00 0.00 N ATOM 62 CA PHE A 11 0.969 -1.987 -11.222 1.00 0.00 C ATOM 63 C PHE A 11 0.646 -0.545 -11.597 1.00 0.00 C ATOM 64 O PHE A 11 0.343 -0.249 -12.754 1.00 0.00 O ATOM 65 CB PHE A 11 2.436 -2.291 -11.533 1.00 0.00 C ATOM 66 CG PHE A 11 2.933 -3.560 -10.902 1.00 0.00 C ATOM 67 CD1 PHE A 11 2.327 -4.773 -11.185 1.00 0.00 C ATOM 68 CD2 PHE A 11 4.007 -3.538 -10.026 1.00 0.00 C ATOM 69 CE1 PHE A 11 2.784 -5.942 -10.606 1.00 0.00 C ATOM 70 CE2 PHE A 11 4.467 -4.704 -9.445 1.00 0.00 C ATOM 71 CZ PHE A 11 3.854 -5.908 -9.734 1.00 0.00 C ATOM 0 H PHE A 11 0.470 -3.238 -12.828 1.00 0.00 H new ATOM 0 HA PHE A 11 0.800 -2.115 -10.153 1.00 0.00 H new ATOM 0 HB2 PHE A 11 2.564 -2.358 -12.613 1.00 0.00 H new ATOM 0 HB3 PHE A 11 3.051 -1.459 -11.190 1.00 0.00 H new ATOM 0 HD1 PHE A 11 1.489 -4.806 -11.865 1.00 0.00 H new ATOM 0 HD2 PHE A 11 4.489 -2.600 -9.795 1.00 0.00 H new ATOM 0 HE1 PHE A 11 2.304 -6.882 -10.836 1.00 0.00 H new ATOM 0 HE2 PHE A 11 5.306 -4.674 -8.765 1.00 0.00 H new ATOM 0 HZ PHE A 11 4.211 -6.820 -9.279 1.00 0.00 H new ATOM 81 N LEU A 12 0.704 0.348 -10.615 1.00 0.00 N ATOM 82 CA LEU A 12 0.412 1.757 -10.853 1.00 0.00 C ATOM 83 C LEU A 12 1.305 2.657 -10.006 1.00 0.00 C ATOM 84 O LEU A 12 1.728 2.283 -8.913 1.00 0.00 O ATOM 85 CB LEU A 12 -1.058 2.057 -10.548 1.00 0.00 C ATOM 86 CG LEU A 12 -2.037 0.928 -10.870 1.00 0.00 C ATOM 87 CD1 LEU A 12 -3.305 1.065 -10.042 1.00 0.00 C ATOM 88 CD2 LEU A 12 -2.368 0.917 -12.354 1.00 0.00 C ATOM 0 H LEU A 12 0.949 0.123 -9.651 1.00 0.00 H new ATOM 0 HA LEU A 12 0.612 1.963 -11.905 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.149 2.304 -9.490 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.354 2.943 -11.109 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.563 -0.020 -10.615 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.989 0.252 -10.286 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.054 1.022 -8.982 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.783 2.019 -10.263 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.066 0.107 -12.565 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.821 1.868 -12.633 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.454 0.768 -12.929 1.00 0.00 H new ATOM 100 N THR A 13 1.579 3.852 -10.520 1.00 0.00 N ATOM 101 CA THR A 13 2.411 4.819 -9.815 1.00 0.00 C ATOM 102 C THR A 13 1.547 5.924 -9.218 1.00 0.00 C ATOM 103 O THR A 13 0.558 6.339 -9.821 1.00 0.00 O ATOM 104 CB THR A 13 3.449 5.421 -10.764 1.00 0.00 C ATOM 105 OG1 THR A 13 4.173 4.401 -11.428 1.00 0.00 O ATOM 106 CG2 THR A 13 4.451 6.315 -10.067 1.00 0.00 C ATOM 0 H THR A 13 1.235 4.174 -11.425 1.00 0.00 H new ATOM 0 HA THR A 13 2.931 4.304 -9.008 1.00 0.00 H new ATOM 0 HB THR A 13 2.878 6.024 -11.470 1.00 0.00 H new ATOM 0 HG1 THR A 13 4.830 4.806 -12.031 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.158 6.708 -10.798 1.00 0.00 H new ATOM 0 HG22 THR A 13 3.928 7.142 -9.586 1.00 0.00 H new ATOM 0 HG23 THR A 13 4.990 5.740 -9.314 1.00 0.00 H new ATOM 114 N PHE A 14 1.917 6.394 -8.031 1.00 0.00 N ATOM 115 CA PHE A 14 1.155 7.445 -7.366 1.00 0.00 C ATOM 116 C PHE A 14 2.053 8.584 -6.896 1.00 0.00 C ATOM 117 O PHE A 14 2.781 8.451 -5.913 1.00 0.00 O ATOM 118 CB PHE A 14 0.383 6.872 -6.174 1.00 0.00 C ATOM 119 CG PHE A 14 -0.696 5.893 -6.550 1.00 0.00 C ATOM 120 CD1 PHE A 14 -1.379 6.011 -7.753 1.00 0.00 C ATOM 121 CD2 PHE A 14 -1.029 4.854 -5.697 1.00 0.00 C ATOM 122 CE1 PHE A 14 -2.371 5.112 -8.094 1.00 0.00 C ATOM 123 CE2 PHE A 14 -2.022 3.951 -6.033 1.00 0.00 C ATOM 124 CZ PHE A 14 -2.692 4.081 -7.233 1.00 0.00 C ATOM 0 H PHE A 14 2.733 6.067 -7.513 1.00 0.00 H new ATOM 0 HA PHE A 14 0.452 7.847 -8.096 1.00 0.00 H new ATOM 0 HB2 PHE A 14 1.087 6.380 -5.503 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.066 7.694 -5.617 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -1.132 6.815 -8.430 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -0.507 4.747 -4.758 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.895 5.215 -9.033 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -2.272 3.146 -5.358 1.00 0.00 H new ATOM 0 HZ PHE A 14 -3.467 3.377 -7.498 1.00 0.00 H new ATOM 134 N GLU A 15 1.976 9.711 -7.595 1.00 0.00 N ATOM 135 CA GLU A 15 2.758 10.890 -7.242 1.00 0.00 C ATOM 136 C GLU A 15 1.990 11.722 -6.223 1.00 0.00 C ATOM 137 O GLU A 15 1.051 12.438 -6.574 1.00 0.00 O ATOM 138 CB GLU A 15 3.059 11.726 -8.489 1.00 0.00 C ATOM 139 CG GLU A 15 3.413 10.892 -9.712 1.00 0.00 C ATOM 140 CD GLU A 15 2.200 10.549 -10.554 1.00 0.00 C ATOM 141 OE1 GLU A 15 1.396 9.696 -10.120 1.00 0.00 O ATOM 142 OE2 GLU A 15 2.052 11.132 -11.650 1.00 0.00 O ATOM 0 H GLU A 15 1.378 9.833 -8.412 1.00 0.00 H new ATOM 0 HA GLU A 15 3.705 10.572 -6.807 1.00 0.00 H new ATOM 0 HB2 GLU A 15 2.191 12.344 -8.720 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.884 12.404 -8.271 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.133 11.437 -10.323 1.00 0.00 H new ATOM 0 HG3 GLU A 15 3.900 9.971 -9.391 1.00 0.00 H new ATOM 149 N VAL A 16 2.374 11.604 -4.958 1.00 0.00 N ATOM 150 CA VAL A 16 1.695 12.327 -3.886 1.00 0.00 C ATOM 151 C VAL A 16 2.479 13.562 -3.446 1.00 0.00 C ATOM 152 O VAL A 16 3.580 13.447 -2.908 1.00 0.00 O ATOM 153 CB VAL A 16 1.454 11.421 -2.658 1.00 0.00 C ATOM 154 CG1 VAL A 16 0.096 11.719 -2.039 1.00 0.00 C ATOM 155 CG2 VAL A 16 1.556 9.950 -3.035 1.00 0.00 C ATOM 0 H VAL A 16 3.149 11.017 -4.648 1.00 0.00 H new ATOM 0 HA VAL A 16 0.735 12.646 -4.293 1.00 0.00 H new ATOM 0 HB VAL A 16 2.229 11.634 -1.922 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.060 11.073 -1.175 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.061 12.762 -1.723 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.687 11.536 -2.775 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.382 9.335 -2.152 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.808 9.716 -3.793 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.551 9.744 -3.430 1.00 0.00 H new ATOM 165 N PRO A 17 1.915 14.768 -3.664 1.00 0.00 N ATOM 166 CA PRO A 17 2.561 16.025 -3.286 1.00 0.00 C ATOM 167 C PRO A 17 2.339 16.388 -1.821 1.00 0.00 C ATOM 168 O PRO A 17 1.319 16.981 -1.472 1.00 0.00 O ATOM 169 CB PRO A 17 1.867 17.041 -4.188 1.00 0.00 C ATOM 170 CG PRO A 17 0.488 16.502 -4.363 1.00 0.00 C ATOM 171 CD PRO A 17 0.602 14.999 -4.300 1.00 0.00 C ATOM 0 HA PRO A 17 3.644 15.979 -3.401 1.00 0.00 H new ATOM 0 HB2 PRO A 17 1.852 18.031 -3.733 1.00 0.00 H new ATOM 0 HB3 PRO A 17 2.380 17.138 -5.145 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -0.175 16.873 -3.582 1.00 0.00 H new ATOM 0 HG3 PRO A 17 0.066 16.819 -5.317 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -0.207 14.561 -3.716 1.00 0.00 H new ATOM 0 HD3 PRO A 17 0.555 14.553 -5.293 1.00 0.00 H new ATOM 179 N LEU A 18 3.305 16.047 -0.966 1.00 0.00 N ATOM 180 CA LEU A 18 3.202 16.361 0.457 1.00 0.00 C ATOM 181 C LEU A 18 3.771 17.745 0.748 1.00 0.00 C ATOM 182 O LEU A 18 4.177 18.043 1.872 1.00 0.00 O ATOM 183 CB LEU A 18 3.929 15.313 1.293 1.00 0.00 C ATOM 184 CG LEU A 18 5.446 15.389 1.215 1.00 0.00 C ATOM 185 CD1 LEU A 18 6.013 16.103 2.437 1.00 0.00 C ATOM 186 CD2 LEU A 18 6.045 13.998 1.083 1.00 0.00 C ATOM 0 H LEU A 18 4.159 15.558 -1.232 1.00 0.00 H new ATOM 0 HA LEU A 18 2.146 16.354 0.727 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.625 15.422 2.334 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.610 14.322 0.969 1.00 0.00 H new ATOM 0 HG LEU A 18 5.714 15.964 0.329 1.00 0.00 H new ATOM 0 HD11 LEU A 18 7.099 16.147 2.361 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.612 17.115 2.486 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.734 15.558 3.339 1.00 0.00 H new ATOM 0 HD21 LEU A 18 7.131 14.073 1.029 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.766 13.398 1.949 1.00 0.00 H new ATOM 0 HD23 LEU A 18 5.668 13.524 0.177 1.00 0.00 H new ATOM 198 N ASN A 19 3.785 18.582 -0.281 1.00 0.00 N ATOM 199 CA ASN A 19 4.282 19.953 -0.192 1.00 0.00 C ATOM 200 C ASN A 19 3.955 20.596 1.156 1.00 0.00 C ATOM 201 O ASN A 19 4.720 21.416 1.665 1.00 0.00 O ATOM 202 CB ASN A 19 3.667 20.782 -1.323 1.00 0.00 C ATOM 203 CG ASN A 19 2.199 21.108 -1.083 1.00 0.00 C ATOM 204 OD1 ASN A 19 1.387 20.082 -0.820 1.00 0.00 O flip ATOM 205 ND2 ASN A 19 1.796 22.270 -1.130 1.00 0.00 N flip ATOM 0 H ASN A 19 3.449 18.328 -1.210 1.00 0.00 H new ATOM 0 HA ASN A 19 5.368 19.926 -0.285 1.00 0.00 H new ATOM 0 HB2 ASN A 19 4.228 21.710 -1.433 1.00 0.00 H new ATOM 0 HB3 ASN A 19 3.765 20.237 -2.262 1.00 0.00 H new ATOM 0 HD21 ASN A 19 2.447 23.028 -1.334 1.00 0.00 H new ATOM 0 HD22 ASN A 19 0.811 22.475 -0.965 1.00 0.00 H new ATOM 212 N ASP A 20 2.816 20.220 1.721 1.00 0.00 N ATOM 213 CA ASP A 20 2.385 20.761 3.005 1.00 0.00 C ATOM 214 C ASP A 20 1.628 19.714 3.814 1.00 0.00 C ATOM 215 O ASP A 20 0.810 20.047 4.671 1.00 0.00 O ATOM 216 CB ASP A 20 1.502 21.993 2.791 1.00 0.00 C ATOM 217 CG ASP A 20 0.321 21.708 1.885 1.00 0.00 C ATOM 218 OD1 ASP A 20 -0.515 20.856 2.251 1.00 0.00 O ATOM 219 OD2 ASP A 20 0.234 22.336 0.808 1.00 0.00 O ATOM 0 H ASP A 20 2.173 19.542 1.311 1.00 0.00 H new ATOM 0 HA ASP A 20 3.274 21.050 3.565 1.00 0.00 H new ATOM 0 HB2 ASP A 20 1.139 22.348 3.755 1.00 0.00 H new ATOM 0 HB3 ASP A 20 2.101 22.796 2.361 1.00 0.00 H new ATOM 224 N SER A 21 1.909 18.446 3.535 1.00 0.00 N ATOM 225 CA SER A 21 1.260 17.347 4.236 1.00 0.00 C ATOM 226 C SER A 21 2.238 16.654 5.185 1.00 0.00 C ATOM 227 O SER A 21 1.829 15.902 6.069 1.00 0.00 O ATOM 228 CB SER A 21 0.702 16.337 3.231 1.00 0.00 C ATOM 229 OG SER A 21 0.146 16.996 2.105 1.00 0.00 O ATOM 0 H SER A 21 2.583 18.155 2.827 1.00 0.00 H new ATOM 0 HA SER A 21 0.439 17.755 4.825 1.00 0.00 H new ATOM 0 HB2 SER A 21 1.496 15.664 2.908 1.00 0.00 H new ATOM 0 HB3 SER A 21 -0.060 15.724 3.711 1.00 0.00 H new ATOM 0 HG SER A 21 -0.341 17.794 2.400 1.00 0.00 H new ATOM 235 N GLY A 22 3.531 16.914 4.997 1.00 0.00 N ATOM 236 CA GLY A 22 4.543 16.311 5.843 1.00 0.00 C ATOM 237 C GLY A 22 4.273 16.525 7.321 1.00 0.00 C ATOM 238 O GLY A 22 4.652 15.701 8.154 1.00 0.00 O ATOM 0 H GLY A 22 3.894 17.533 4.272 1.00 0.00 H new ATOM 0 HA2 GLY A 22 4.592 15.242 5.638 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.518 16.729 5.591 1.00 0.00 H new ATOM 242 N SER A 23 3.612 17.634 7.648 1.00 0.00 N ATOM 243 CA SER A 23 3.288 17.949 9.035 1.00 0.00 C ATOM 244 C SER A 23 2.566 16.780 9.697 1.00 0.00 C ATOM 245 O SER A 23 2.728 16.529 10.892 1.00 0.00 O ATOM 246 CB SER A 23 2.421 19.207 9.106 1.00 0.00 C ATOM 247 OG SER A 23 2.020 19.478 10.438 1.00 0.00 O ATOM 0 H SER A 23 3.292 18.327 6.972 1.00 0.00 H new ATOM 0 HA SER A 23 4.220 18.131 9.571 1.00 0.00 H new ATOM 0 HB2 SER A 23 2.976 20.057 8.710 1.00 0.00 H new ATOM 0 HB3 SER A 23 1.540 19.081 8.477 1.00 0.00 H new ATOM 0 HG SER A 23 1.468 20.288 10.455 1.00 0.00 H new ATOM 253 N ALA A 24 1.775 16.065 8.906 1.00 0.00 N ATOM 254 CA ALA A 24 1.032 14.914 9.399 1.00 0.00 C ATOM 255 C ALA A 24 1.644 13.613 8.888 1.00 0.00 C ATOM 256 O ALA A 24 1.451 12.550 9.478 1.00 0.00 O ATOM 257 CB ALA A 24 -0.428 15.009 8.979 1.00 0.00 C ATOM 0 H ALA A 24 1.632 16.264 7.916 1.00 0.00 H new ATOM 0 HA ALA A 24 1.087 14.914 10.488 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.972 14.142 9.354 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.866 15.918 9.390 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.493 15.035 7.891 1.00 0.00 H new ATOM 263 N GLY A 25 2.380 13.708 7.784 1.00 0.00 N ATOM 264 CA GLY A 25 3.007 12.537 7.204 1.00 0.00 C ATOM 265 C GLY A 25 2.337 12.117 5.914 1.00 0.00 C ATOM 266 O GLY A 25 1.959 10.958 5.751 1.00 0.00 O ATOM 0 H GLY A 25 2.553 14.578 7.281 1.00 0.00 H new ATOM 0 HA2 GLY A 25 4.060 12.746 7.015 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.968 11.714 7.918 1.00 0.00 H new ATOM 270 N LEU A 26 2.189 13.072 4.999 1.00 0.00 N ATOM 271 CA LEU A 26 1.560 12.825 3.703 1.00 0.00 C ATOM 272 C LEU A 26 0.041 12.769 3.820 1.00 0.00 C ATOM 273 O LEU A 26 -0.668 13.522 3.155 1.00 0.00 O ATOM 274 CB LEU A 26 2.077 11.528 3.079 1.00 0.00 C ATOM 275 CG LEU A 26 1.663 11.312 1.624 1.00 0.00 C ATOM 276 CD1 LEU A 26 2.199 12.433 0.751 1.00 0.00 C ATOM 277 CD2 LEU A 26 2.153 9.964 1.123 1.00 0.00 C ATOM 0 H LEU A 26 2.500 14.034 5.133 1.00 0.00 H new ATOM 0 HA LEU A 26 1.826 13.660 3.055 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.165 11.521 3.138 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.720 10.687 3.673 1.00 0.00 H new ATOM 0 HG LEU A 26 0.574 11.321 1.569 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.896 12.266 -0.283 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.799 13.386 1.097 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.287 12.453 0.812 1.00 0.00 H new ATOM 0 HD21 LEU A 26 1.848 9.829 0.085 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.240 9.924 1.190 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.723 9.170 1.734 1.00 0.00 H new ATOM 289 N GLY A 27 -0.457 11.869 4.663 1.00 0.00 N ATOM 290 CA GLY A 27 -1.885 11.735 4.835 1.00 0.00 C ATOM 291 C GLY A 27 -2.383 10.351 4.471 1.00 0.00 C ATOM 292 O GLY A 27 -3.211 10.199 3.574 1.00 0.00 O ATOM 0 H GLY A 27 0.106 11.233 5.228 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -2.145 11.951 5.871 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -2.394 12.475 4.218 1.00 0.00 H new ATOM 296 N VAL A 28 -1.886 9.339 5.177 1.00 0.00 N ATOM 297 CA VAL A 28 -2.300 7.963 4.925 1.00 0.00 C ATOM 298 C VAL A 28 -1.651 6.993 5.912 1.00 0.00 C ATOM 299 O VAL A 28 -0.647 7.315 6.549 1.00 0.00 O ATOM 300 CB VAL A 28 -1.954 7.509 3.486 1.00 0.00 C ATOM 301 CG1 VAL A 28 -3.182 7.565 2.593 1.00 0.00 C ATOM 302 CG2 VAL A 28 -0.831 8.353 2.900 1.00 0.00 C ATOM 0 H VAL A 28 -1.200 9.445 5.924 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.382 7.945 5.054 1.00 0.00 H new ATOM 0 HB VAL A 28 -1.611 6.476 3.536 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.915 7.242 1.587 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.953 6.907 2.993 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.560 8.587 2.558 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.609 8.012 1.889 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.139 9.398 2.871 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.060 8.254 3.520 1.00 0.00 H new ATOM 312 N SER A 29 -2.228 5.797 6.024 1.00 0.00 N ATOM 313 CA SER A 29 -1.714 4.766 6.914 1.00 0.00 C ATOM 314 C SER A 29 -1.881 3.399 6.264 1.00 0.00 C ATOM 315 O SER A 29 -2.834 3.180 5.518 1.00 0.00 O ATOM 316 CB SER A 29 -2.446 4.803 8.258 1.00 0.00 C ATOM 317 OG SER A 29 -1.560 4.522 9.329 1.00 0.00 O ATOM 0 H SER A 29 -3.060 5.520 5.502 1.00 0.00 H new ATOM 0 HA SER A 29 -0.655 4.952 7.094 1.00 0.00 H new ATOM 0 HB2 SER A 29 -2.897 5.785 8.403 1.00 0.00 H new ATOM 0 HB3 SER A 29 -3.258 4.076 8.253 1.00 0.00 H new ATOM 0 HG SER A 29 -2.051 4.553 10.177 1.00 0.00 H new ATOM 323 N VAL A 30 -0.952 2.487 6.527 1.00 0.00 N ATOM 324 CA VAL A 30 -1.017 1.157 5.933 1.00 0.00 C ATOM 325 C VAL A 30 -0.677 0.062 6.937 1.00 0.00 C ATOM 326 O VAL A 30 -0.142 0.328 8.013 1.00 0.00 O ATOM 327 CB VAL A 30 -0.062 1.036 4.731 1.00 0.00 C ATOM 328 CG1 VAL A 30 -0.474 1.989 3.618 1.00 0.00 C ATOM 329 CG2 VAL A 30 1.371 1.298 5.164 1.00 0.00 C ATOM 0 H VAL A 30 -0.152 2.641 7.141 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.047 1.023 5.602 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.122 0.019 4.343 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.214 1.887 2.779 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.485 1.749 3.289 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.446 3.014 3.988 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.033 1.209 4.303 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.448 2.303 5.578 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.661 0.570 5.922 1.00 0.00 H new ATOM 339 N LYS A 31 -0.988 -1.175 6.563 1.00 0.00 N ATOM 340 CA LYS A 31 -0.719 -2.334 7.405 1.00 0.00 C ATOM 341 C LYS A 31 -0.077 -3.445 6.586 1.00 0.00 C ATOM 342 O LYS A 31 -0.327 -3.564 5.388 1.00 0.00 O ATOM 343 CB LYS A 31 -2.011 -2.828 8.065 1.00 0.00 C ATOM 344 CG LYS A 31 -2.946 -3.562 7.115 1.00 0.00 C ATOM 345 CD LYS A 31 -2.492 -4.992 6.896 1.00 0.00 C ATOM 346 CE LYS A 31 -3.669 -5.927 6.660 1.00 0.00 C ATOM 347 NZ LYS A 31 -4.745 -5.282 5.857 1.00 0.00 N ATOM 0 H LYS A 31 -1.431 -1.401 5.673 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.024 -2.039 8.191 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -1.755 -3.491 8.892 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.539 -1.975 8.492 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -3.958 -3.557 7.520 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.982 -3.039 6.160 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -1.818 -5.033 6.040 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -1.926 -5.331 7.764 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.322 -6.823 6.146 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.076 -6.247 7.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.299 -6.014 5.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -5.369 -4.738 6.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.319 -4.643 5.156 1.00 0.00 H new ATOM 361 N GLY A 32 0.750 -4.257 7.235 1.00 0.00 N ATOM 362 CA GLY A 32 1.410 -5.346 6.541 1.00 0.00 C ATOM 363 C GLY A 32 0.895 -6.704 6.972 1.00 0.00 C ATOM 364 O GLY A 32 0.656 -6.938 8.156 1.00 0.00 O ATOM 0 H GLY A 32 0.975 -4.181 8.227 1.00 0.00 H new ATOM 0 HA2 GLY A 32 1.264 -5.230 5.467 1.00 0.00 H new ATOM 0 HA3 GLY A 32 2.483 -5.293 6.725 1.00 0.00 H new ATOM 368 N ASN A 33 0.723 -7.602 6.007 1.00 0.00 N ATOM 369 CA ASN A 33 0.231 -8.946 6.295 1.00 0.00 C ATOM 370 C ASN A 33 1.200 -10.006 5.784 1.00 0.00 C ATOM 371 O ASN A 33 2.222 -9.688 5.176 1.00 0.00 O ATOM 372 CB ASN A 33 -1.148 -9.151 5.664 1.00 0.00 C ATOM 373 CG ASN A 33 -2.266 -9.074 6.686 1.00 0.00 C ATOM 374 OD1 ASN A 33 -2.153 -8.131 7.615 1.00 0.00 O flip ATOM 375 ND2 ASN A 33 -3.218 -9.852 6.641 1.00 0.00 N flip ATOM 0 H ASN A 33 0.916 -7.425 5.021 1.00 0.00 H new ATOM 0 HA ASN A 33 0.149 -9.051 7.377 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -1.309 -8.396 4.895 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -1.178 -10.121 5.169 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -3.263 -10.561 5.909 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -3.962 -9.788 7.336 1.00 0.00 H new ATOM 382 N ARG A 34 0.871 -11.268 6.036 1.00 0.00 N ATOM 383 CA ARG A 34 1.707 -12.382 5.605 1.00 0.00 C ATOM 384 C ARG A 34 0.894 -13.391 4.801 1.00 0.00 C ATOM 385 O ARG A 34 -0.337 -13.355 4.804 1.00 0.00 O ATOM 386 CB ARG A 34 2.343 -13.069 6.814 1.00 0.00 C ATOM 387 CG ARG A 34 3.555 -12.334 7.364 1.00 0.00 C ATOM 388 CD ARG A 34 3.677 -12.506 8.870 1.00 0.00 C ATOM 389 NE ARG A 34 3.517 -11.240 9.582 1.00 0.00 N ATOM 390 CZ ARG A 34 3.542 -11.126 10.908 1.00 0.00 C ATOM 391 NH1 ARG A 34 3.716 -12.199 11.670 1.00 0.00 N ATOM 392 NH2 ARG A 34 3.390 -9.936 11.473 1.00 0.00 N ATOM 0 H ARG A 34 0.028 -11.546 6.539 1.00 0.00 H new ATOM 0 HA ARG A 34 2.496 -11.986 4.966 1.00 0.00 H new ATOM 0 HB2 ARG A 34 1.596 -13.162 7.603 1.00 0.00 H new ATOM 0 HB3 ARG A 34 2.638 -14.080 6.533 1.00 0.00 H new ATOM 0 HG2 ARG A 34 4.458 -12.707 6.880 1.00 0.00 H new ATOM 0 HG3 ARG A 34 3.479 -11.274 7.123 1.00 0.00 H new ATOM 0 HD2 ARG A 34 2.924 -13.214 9.216 1.00 0.00 H new ATOM 0 HD3 ARG A 34 4.650 -12.935 9.108 1.00 0.00 H new ATOM 0 HE ARG A 34 3.378 -10.393 9.030 1.00 0.00 H new ATOM 0 HH11 ARG A 34 3.831 -13.117 11.240 1.00 0.00 H new ATOM 0 HH12 ARG A 34 3.734 -12.106 12.686 1.00 0.00 H new ATOM 0 HH21 ARG A 34 3.254 -9.109 10.892 1.00 0.00 H new ATOM 0 HH22 ARG A 34 3.409 -9.848 12.489 1.00 0.00 H new ATOM 406 N SER A 35 1.590 -14.292 4.117 1.00 0.00 N ATOM 407 CA SER A 35 0.937 -15.315 3.311 1.00 0.00 C ATOM 408 C SER A 35 0.041 -16.201 4.172 1.00 0.00 C ATOM 409 O SER A 35 -0.876 -16.847 3.665 1.00 0.00 O ATOM 410 CB SER A 35 1.980 -16.172 2.594 1.00 0.00 C ATOM 411 OG SER A 35 1.366 -17.078 1.695 1.00 0.00 O ATOM 0 H SER A 35 2.609 -14.334 4.105 1.00 0.00 H new ATOM 0 HA SER A 35 0.315 -14.813 2.570 1.00 0.00 H new ATOM 0 HB2 SER A 35 2.672 -15.529 2.051 1.00 0.00 H new ATOM 0 HB3 SER A 35 2.567 -16.725 3.327 1.00 0.00 H new ATOM 0 HG SER A 35 1.895 -17.131 0.872 1.00 0.00 H new ATOM 417 N LYS A 36 0.313 -16.228 5.477 1.00 0.00 N ATOM 418 CA LYS A 36 -0.464 -17.036 6.418 1.00 0.00 C ATOM 419 C LYS A 36 -0.040 -18.503 6.366 1.00 0.00 C ATOM 420 O LYS A 36 0.253 -19.109 7.397 1.00 0.00 O ATOM 421 CB LYS A 36 -1.966 -16.911 6.135 1.00 0.00 C ATOM 422 CG LYS A 36 -2.791 -16.571 7.367 1.00 0.00 C ATOM 423 CD LYS A 36 -3.615 -15.308 7.159 1.00 0.00 C ATOM 424 CE LYS A 36 -2.778 -14.057 7.363 1.00 0.00 C ATOM 425 NZ LYS A 36 -3.619 -12.828 7.414 1.00 0.00 N ATOM 0 H LYS A 36 1.069 -15.697 5.908 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.265 -16.656 7.420 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.122 -16.141 5.379 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.327 -17.849 5.713 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -3.454 -17.404 7.603 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -2.130 -16.438 8.223 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.033 -15.307 6.152 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -4.455 -15.302 7.853 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -2.210 -14.147 8.289 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.054 -13.968 6.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -3.095 -12.068 7.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.855 -12.528 6.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -4.495 -13.028 7.937 1.00 0.00 H new ATOM 439 N GLU A 37 -0.009 -19.070 5.164 1.00 0.00 N ATOM 440 CA GLU A 37 0.380 -20.463 4.986 1.00 0.00 C ATOM 441 C GLU A 37 1.857 -20.667 5.309 1.00 0.00 C ATOM 442 O GLU A 37 2.266 -21.752 5.721 1.00 0.00 O ATOM 443 CB GLU A 37 0.094 -20.914 3.551 1.00 0.00 C ATOM 444 CG GLU A 37 -0.042 -22.420 3.403 1.00 0.00 C ATOM 445 CD GLU A 37 -1.368 -22.940 3.923 1.00 0.00 C ATOM 446 OE1 GLU A 37 -1.488 -23.139 5.150 1.00 0.00 O ATOM 447 OE2 GLU A 37 -2.287 -23.149 3.103 1.00 0.00 O ATOM 0 H GLU A 37 -0.249 -18.585 4.299 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.209 -21.067 5.677 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.824 -20.439 3.206 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.897 -20.564 2.902 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.062 -22.689 2.352 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.771 -22.909 3.939 1.00 0.00 H new ATOM 454 N ASN A 38 2.652 -19.618 5.117 1.00 0.00 N ATOM 455 CA ASN A 38 4.084 -19.691 5.390 1.00 0.00 C ATOM 456 C ASN A 38 4.607 -18.372 5.954 1.00 0.00 C ATOM 457 O ASN A 38 5.783 -18.046 5.798 1.00 0.00 O ATOM 458 CB ASN A 38 4.847 -20.056 4.112 1.00 0.00 C ATOM 459 CG ASN A 38 4.837 -18.941 3.082 1.00 0.00 C ATOM 460 OD1 ASN A 38 5.877 -18.366 2.764 1.00 0.00 O ATOM 461 ND2 ASN A 38 3.658 -18.629 2.554 1.00 0.00 N ATOM 0 H ASN A 38 2.331 -18.712 4.775 1.00 0.00 H new ATOM 0 HA ASN A 38 4.246 -20.467 6.138 1.00 0.00 H new ATOM 0 HB2 ASN A 38 5.878 -20.299 4.367 1.00 0.00 H new ATOM 0 HB3 ASN A 38 4.407 -20.952 3.675 1.00 0.00 H new ATOM 0 HD21 ASN A 38 3.592 -17.887 1.857 1.00 0.00 H new ATOM 0 HD22 ASN A 38 2.820 -19.131 2.846 1.00 0.00 H new ATOM 468 N HIS A 39 3.724 -17.618 6.609 1.00 0.00 N ATOM 469 CA HIS A 39 4.093 -16.331 7.201 1.00 0.00 C ATOM 470 C HIS A 39 4.955 -15.507 6.246 1.00 0.00 C ATOM 471 O HIS A 39 5.911 -14.852 6.662 1.00 0.00 O ATOM 472 CB HIS A 39 4.835 -16.546 8.523 1.00 0.00 C ATOM 473 CG HIS A 39 6.147 -17.249 8.370 1.00 0.00 C ATOM 474 ND1 HIS A 39 6.285 -18.618 8.468 1.00 0.00 N ATOM 475 CD2 HIS A 39 7.388 -16.766 8.125 1.00 0.00 C ATOM 476 CE1 HIS A 39 7.551 -18.946 8.290 1.00 0.00 C ATOM 477 NE2 HIS A 39 8.242 -17.841 8.079 1.00 0.00 N ATOM 0 H HIS A 39 2.746 -17.876 6.743 1.00 0.00 H new ATOM 0 HA HIS A 39 3.174 -15.777 7.393 1.00 0.00 H new ATOM 0 HB2 HIS A 39 5.004 -15.579 8.996 1.00 0.00 H new ATOM 0 HB3 HIS A 39 4.200 -17.123 9.196 1.00 0.00 H new ATOM 0 HD2 HIS A 39 7.656 -15.729 7.991 1.00 0.00 H new ATOM 0 HE1 HIS A 39 7.953 -19.948 8.313 1.00 0.00 H new ATOM 0 HE2 HIS A 39 9.247 -17.793 7.909 1.00 0.00 H new ATOM 486 N ALA A 40 4.609 -15.548 4.964 1.00 0.00 N ATOM 487 CA ALA A 40 5.348 -14.811 3.947 1.00 0.00 C ATOM 488 C ALA A 40 4.821 -13.386 3.808 1.00 0.00 C ATOM 489 O ALA A 40 3.751 -13.162 3.242 1.00 0.00 O ATOM 490 CB ALA A 40 5.268 -15.540 2.614 1.00 0.00 C ATOM 0 H ALA A 40 3.820 -16.085 4.605 1.00 0.00 H new ATOM 0 HA ALA A 40 6.391 -14.752 4.257 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.823 -14.982 1.860 1.00 0.00 H new ATOM 0 HB2 ALA A 40 5.698 -16.536 2.718 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.225 -15.625 2.308 1.00 0.00 H new ATOM 496 N ASP A 41 5.580 -12.422 4.324 1.00 0.00 N ATOM 497 CA ASP A 41 5.186 -11.018 4.255 1.00 0.00 C ATOM 498 C ASP A 41 4.888 -10.605 2.817 1.00 0.00 C ATOM 499 O ASP A 41 5.802 -10.357 2.029 1.00 0.00 O ATOM 500 CB ASP A 41 6.289 -10.131 4.835 1.00 0.00 C ATOM 501 CG ASP A 41 6.367 -10.220 6.347 1.00 0.00 C ATOM 502 OD1 ASP A 41 6.483 -11.348 6.870 1.00 0.00 O ATOM 503 OD2 ASP A 41 6.311 -9.160 7.008 1.00 0.00 O ATOM 0 H ASP A 41 6.470 -12.588 4.794 1.00 0.00 H new ATOM 0 HA ASP A 41 4.278 -10.891 4.844 1.00 0.00 H new ATOM 0 HB2 ASP A 41 7.248 -10.422 4.407 1.00 0.00 H new ATOM 0 HB3 ASP A 41 6.110 -9.096 4.543 1.00 0.00 H new ATOM 508 N LEU A 42 3.604 -10.532 2.483 1.00 0.00 N ATOM 509 CA LEU A 42 3.184 -10.150 1.140 1.00 0.00 C ATOM 510 C LEU A 42 3.474 -8.678 0.873 1.00 0.00 C ATOM 511 O LEU A 42 3.969 -8.315 -0.194 1.00 0.00 O ATOM 512 CB LEU A 42 1.692 -10.432 0.950 1.00 0.00 C ATOM 513 CG LEU A 42 1.228 -11.811 1.422 1.00 0.00 C ATOM 514 CD1 LEU A 42 -0.182 -11.735 1.988 1.00 0.00 C ATOM 515 CD2 LEU A 42 1.293 -12.813 0.279 1.00 0.00 C ATOM 0 H LEU A 42 2.836 -10.732 3.124 1.00 0.00 H new ATOM 0 HA LEU A 42 3.754 -10.746 0.427 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.123 -9.671 1.485 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.450 -10.326 -0.107 1.00 0.00 H new ATOM 0 HG LEU A 42 1.897 -12.148 2.214 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.495 -12.725 2.319 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.198 -11.048 2.834 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.865 -11.377 1.217 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.960 -13.789 0.631 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.647 -12.481 -0.534 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.319 -12.888 -0.081 1.00 0.00 H new ATOM 527 N GLY A 43 3.161 -7.836 1.848 1.00 0.00 N ATOM 528 CA GLY A 43 3.395 -6.411 1.703 1.00 0.00 C ATOM 529 C GLY A 43 2.459 -5.576 2.555 1.00 0.00 C ATOM 530 O GLY A 43 1.870 -6.078 3.515 1.00 0.00 O ATOM 0 H GLY A 43 2.749 -8.114 2.739 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.426 -6.186 1.976 1.00 0.00 H new ATOM 0 HA3 GLY A 43 3.274 -6.131 0.656 1.00 0.00 H new ATOM 534 N ILE A 44 2.324 -4.300 2.208 1.00 0.00 N ATOM 535 CA ILE A 44 1.455 -3.392 2.950 1.00 0.00 C ATOM 536 C ILE A 44 0.291 -2.918 2.083 1.00 0.00 C ATOM 537 O ILE A 44 0.341 -3.015 0.856 1.00 0.00 O ATOM 538 CB ILE A 44 2.221 -2.153 3.484 1.00 0.00 C ATOM 539 CG1 ILE A 44 3.726 -2.290 3.252 1.00 0.00 C ATOM 540 CG2 ILE A 44 1.938 -1.949 4.963 1.00 0.00 C ATOM 541 CD1 ILE A 44 4.345 -3.479 3.960 1.00 0.00 C ATOM 0 H ILE A 44 2.805 -3.871 1.418 1.00 0.00 H new ATOM 0 HA ILE A 44 1.075 -3.958 3.801 1.00 0.00 H new ATOM 0 HB ILE A 44 1.869 -1.281 2.932 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.913 -2.377 2.182 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.221 -1.379 3.589 1.00 0.00 H new ATOM 0 HG21 ILE A 44 2.483 -1.076 5.321 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.869 -1.795 5.111 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.258 -2.830 5.520 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.414 -3.512 3.749 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.190 -3.384 5.035 1.00 0.00 H new ATOM 0 HD13 ILE A 44 3.877 -4.397 3.606 1.00 0.00 H new ATOM 553 N PHE A 45 -0.753 -2.408 2.728 1.00 0.00 N ATOM 554 CA PHE A 45 -1.930 -1.918 2.013 1.00 0.00 C ATOM 555 C PHE A 45 -2.462 -0.643 2.661 1.00 0.00 C ATOM 556 O PHE A 45 -2.400 -0.485 3.881 1.00 0.00 O ATOM 557 CB PHE A 45 -3.032 -2.985 1.986 1.00 0.00 C ATOM 558 CG PHE A 45 -2.535 -4.387 2.207 1.00 0.00 C ATOM 559 CD1 PHE A 45 -2.146 -4.807 3.469 1.00 0.00 C ATOM 560 CD2 PHE A 45 -2.459 -5.284 1.154 1.00 0.00 C ATOM 561 CE1 PHE A 45 -1.689 -6.095 3.676 1.00 0.00 C ATOM 562 CE2 PHE A 45 -2.003 -6.574 1.354 1.00 0.00 C ATOM 563 CZ PHE A 45 -1.616 -6.979 2.617 1.00 0.00 C ATOM 0 H PHE A 45 -0.810 -2.323 3.743 1.00 0.00 H new ATOM 0 HA PHE A 45 -1.631 -1.695 0.989 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.771 -2.748 2.751 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.543 -2.940 1.024 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -2.201 -4.120 4.301 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -2.760 -4.972 0.165 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -1.389 -6.410 4.665 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -1.949 -7.264 0.525 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.257 -7.985 2.776 1.00 0.00 H new ATOM 573 N VAL A 46 -2.986 0.265 1.839 1.00 0.00 N ATOM 574 CA VAL A 46 -3.531 1.522 2.345 1.00 0.00 C ATOM 575 C VAL A 46 -4.708 1.266 3.281 1.00 0.00 C ATOM 576 O VAL A 46 -5.769 0.809 2.855 1.00 0.00 O ATOM 577 CB VAL A 46 -3.982 2.459 1.205 1.00 0.00 C ATOM 578 CG1 VAL A 46 -4.162 3.879 1.719 1.00 0.00 C ATOM 579 CG2 VAL A 46 -2.991 2.427 0.052 1.00 0.00 C ATOM 0 H VAL A 46 -3.044 0.154 0.827 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.727 2.012 2.894 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.943 2.103 0.834 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.480 4.525 0.900 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -4.918 3.889 2.504 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.217 4.243 2.122 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.331 3.096 -0.739 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.012 2.751 0.405 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.919 1.412 -0.337 1.00 0.00 H new ATOM 589 N LYS A 47 -4.504 1.555 4.559 1.00 0.00 N ATOM 590 CA LYS A 47 -5.533 1.355 5.572 1.00 0.00 C ATOM 591 C LYS A 47 -6.494 2.527 5.621 1.00 0.00 C ATOM 592 O LYS A 47 -7.710 2.349 5.661 1.00 0.00 O ATOM 593 CB LYS A 47 -4.892 1.191 6.949 1.00 0.00 C ATOM 594 CG LYS A 47 -4.204 -0.143 7.153 1.00 0.00 C ATOM 595 CD LYS A 47 -4.986 -1.027 8.116 1.00 0.00 C ATOM 596 CE LYS A 47 -5.151 -0.365 9.474 1.00 0.00 C ATOM 597 NZ LYS A 47 -4.923 -1.323 10.591 1.00 0.00 N ATOM 0 H LYS A 47 -3.628 1.932 4.921 1.00 0.00 H new ATOM 0 HA LYS A 47 -6.085 0.454 5.304 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.165 1.990 7.098 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -5.660 1.313 7.713 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.098 -0.651 6.194 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.198 0.020 7.540 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.968 -1.245 7.695 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.471 -1.980 8.235 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -4.451 0.466 9.560 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -6.154 0.054 9.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -5.045 -0.832 11.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -5.607 -2.103 10.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.957 -1.704 10.530 1.00 0.00 H new ATOM 611 N SER A 48 -5.937 3.728 5.637 1.00 0.00 N ATOM 612 CA SER A 48 -6.752 4.933 5.704 1.00 0.00 C ATOM 613 C SER A 48 -6.075 6.088 4.991 1.00 0.00 C ATOM 614 O SER A 48 -4.942 5.967 4.527 1.00 0.00 O ATOM 615 CB SER A 48 -7.024 5.307 7.162 1.00 0.00 C ATOM 616 OG SER A 48 -8.106 4.558 7.687 1.00 0.00 O ATOM 0 H SER A 48 -4.931 3.895 5.605 1.00 0.00 H new ATOM 0 HA SER A 48 -7.699 4.729 5.204 1.00 0.00 H new ATOM 0 HB2 SER A 48 -6.130 5.128 7.759 1.00 0.00 H new ATOM 0 HB3 SER A 48 -7.247 6.372 7.232 1.00 0.00 H new ATOM 0 HG SER A 48 -8.301 3.804 7.092 1.00 0.00 H new ATOM 622 N ILE A 49 -6.779 7.209 4.905 1.00 0.00 N ATOM 623 CA ILE A 49 -6.248 8.387 4.243 1.00 0.00 C ATOM 624 C ILE A 49 -6.660 9.661 4.967 1.00 0.00 C ATOM 625 O ILE A 49 -7.639 9.680 5.713 1.00 0.00 O ATOM 626 CB ILE A 49 -6.713 8.456 2.778 1.00 0.00 C ATOM 627 CG1 ILE A 49 -6.536 7.095 2.100 1.00 0.00 C ATOM 628 CG2 ILE A 49 -5.953 9.540 2.032 1.00 0.00 C ATOM 629 CD1 ILE A 49 -7.146 7.013 0.719 1.00 0.00 C ATOM 0 H ILE A 49 -7.718 7.325 5.286 1.00 0.00 H new ATOM 0 HA ILE A 49 -5.161 8.305 4.267 1.00 0.00 H new ATOM 0 HB ILE A 49 -7.773 8.711 2.757 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -5.472 6.871 2.030 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -6.983 6.326 2.730 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.293 9.576 0.997 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -6.134 10.504 2.507 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -4.886 9.318 2.056 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -6.979 6.018 0.306 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -8.217 7.204 0.783 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -6.683 7.758 0.072 1.00 0.00 H new ATOM 641 N ILE A 50 -5.895 10.721 4.744 1.00 0.00 N ATOM 642 CA ILE A 50 -6.159 12.006 5.370 1.00 0.00 C ATOM 643 C ILE A 50 -6.661 13.009 4.337 1.00 0.00 C ATOM 644 O ILE A 50 -5.867 13.624 3.627 1.00 0.00 O ATOM 645 CB ILE A 50 -4.887 12.570 6.051 1.00 0.00 C ATOM 646 CG1 ILE A 50 -4.466 11.698 7.240 1.00 0.00 C ATOM 647 CG2 ILE A 50 -5.116 14.005 6.510 1.00 0.00 C ATOM 648 CD1 ILE A 50 -4.024 10.303 6.869 1.00 0.00 C ATOM 0 H ILE A 50 -5.081 10.714 4.129 1.00 0.00 H new ATOM 0 HA ILE A 50 -6.925 11.849 6.130 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.083 12.560 5.316 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -3.652 12.195 7.768 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -5.302 11.627 7.936 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -4.211 14.384 6.986 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -5.361 14.628 5.649 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -5.940 14.032 7.223 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.745 9.758 7.771 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -4.841 9.783 6.369 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -3.166 10.359 6.199 1.00 0.00 H new ATOM 660 N ASN A 51 -7.979 13.165 4.257 1.00 0.00 N ATOM 661 CA ASN A 51 -8.580 14.094 3.305 1.00 0.00 C ATOM 662 C ASN A 51 -8.170 15.531 3.617 1.00 0.00 C ATOM 663 O ASN A 51 -8.959 16.318 4.138 1.00 0.00 O ATOM 664 CB ASN A 51 -10.107 13.972 3.315 1.00 0.00 C ATOM 665 CG ASN A 51 -10.675 13.805 4.711 1.00 0.00 C ATOM 666 OD1 ASN A 51 -11.238 12.761 5.045 1.00 0.00 O ATOM 667 ND2 ASN A 51 -10.534 14.835 5.538 1.00 0.00 N ATOM 0 H ASN A 51 -8.650 12.662 4.838 1.00 0.00 H new ATOM 0 HA ASN A 51 -8.216 13.835 2.311 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -10.541 14.860 2.855 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -10.403 13.120 2.703 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -10.899 14.779 6.489 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -10.061 15.682 5.222 1.00 0.00 H new ATOM 674 N GLY A 52 -6.926 15.858 3.295 1.00 0.00 N ATOM 675 CA GLY A 52 -6.411 17.189 3.541 1.00 0.00 C ATOM 676 C GLY A 52 -5.009 17.374 2.989 1.00 0.00 C ATOM 677 O GLY A 52 -4.617 18.488 2.641 1.00 0.00 O ATOM 0 H GLY A 52 -6.259 15.218 2.864 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.077 17.924 3.089 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -6.405 17.382 4.614 1.00 0.00 H new ATOM 681 N GLY A 53 -4.252 16.282 2.911 1.00 0.00 N ATOM 682 CA GLY A 53 -2.899 16.357 2.398 1.00 0.00 C ATOM 683 C GLY A 53 -2.765 15.758 1.012 1.00 0.00 C ATOM 684 O GLY A 53 -3.758 15.527 0.325 1.00 0.00 O ATOM 0 H GLY A 53 -4.553 15.349 3.194 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -2.582 17.400 2.371 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -2.227 15.837 3.081 1.00 0.00 H new ATOM 688 N ALA A 54 -1.529 15.520 0.599 1.00 0.00 N ATOM 689 CA ALA A 54 -1.241 14.959 -0.716 1.00 0.00 C ATOM 690 C ALA A 54 -2.099 13.743 -1.042 1.00 0.00 C ATOM 691 O ALA A 54 -2.737 13.693 -2.092 1.00 0.00 O ATOM 692 CB ALA A 54 0.228 14.592 -0.804 1.00 0.00 C ATOM 0 H ALA A 54 -0.700 15.709 1.162 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.484 15.725 -1.452 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.440 14.173 -1.788 1.00 0.00 H new ATOM 0 HB2 ALA A 54 0.836 15.484 -0.651 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.465 13.855 -0.037 1.00 0.00 H new ATOM 698 N ALA A 55 -2.096 12.756 -0.159 1.00 0.00 N ATOM 699 CA ALA A 55 -2.863 11.534 -0.382 1.00 0.00 C ATOM 700 C ALA A 55 -4.314 11.841 -0.734 1.00 0.00 C ATOM 701 O ALA A 55 -4.946 11.108 -1.498 1.00 0.00 O ATOM 702 CB ALA A 55 -2.789 10.627 0.837 1.00 0.00 C ATOM 0 H ALA A 55 -1.574 12.774 0.717 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.419 11.015 -1.231 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -3.367 9.721 0.652 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -1.750 10.361 1.030 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -3.198 11.147 1.703 1.00 0.00 H new ATOM 708 N SER A 56 -4.840 12.932 -0.190 1.00 0.00 N ATOM 709 CA SER A 56 -6.213 13.333 -0.470 1.00 0.00 C ATOM 710 C SER A 56 -6.309 13.938 -1.860 1.00 0.00 C ATOM 711 O SER A 56 -7.041 13.445 -2.720 1.00 0.00 O ATOM 712 CB SER A 56 -6.696 14.345 0.565 1.00 0.00 C ATOM 713 OG SER A 56 -6.162 15.632 0.319 1.00 0.00 O ATOM 0 H SER A 56 -4.339 13.553 0.445 1.00 0.00 H new ATOM 0 HA SER A 56 -6.846 12.447 -0.420 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.785 14.392 0.549 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.406 14.014 1.562 1.00 0.00 H new ATOM 0 HG SER A 56 -5.249 15.681 0.673 1.00 0.00 H new ATOM 719 N LYS A 57 -5.558 15.010 -2.073 1.00 0.00 N ATOM 720 CA LYS A 57 -5.544 15.693 -3.363 1.00 0.00 C ATOM 721 C LYS A 57 -5.110 14.743 -4.477 1.00 0.00 C ATOM 722 O LYS A 57 -5.443 14.949 -5.644 1.00 0.00 O ATOM 723 CB LYS A 57 -4.624 16.920 -3.330 1.00 0.00 C ATOM 724 CG LYS A 57 -3.361 16.742 -2.502 1.00 0.00 C ATOM 725 CD LYS A 57 -3.172 17.893 -1.526 1.00 0.00 C ATOM 726 CE LYS A 57 -1.725 18.361 -1.484 1.00 0.00 C ATOM 727 NZ LYS A 57 -1.249 18.575 -0.090 1.00 0.00 N ATOM 0 H LYS A 57 -4.949 15.427 -1.369 1.00 0.00 H new ATOM 0 HA LYS A 57 -6.560 16.030 -3.567 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.340 17.173 -4.352 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -5.185 17.768 -2.936 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -3.413 15.802 -1.953 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.497 16.677 -3.163 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -3.815 18.724 -1.814 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -3.483 17.580 -0.529 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -1.091 17.623 -1.974 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -1.628 19.289 -2.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.686 19.448 -0.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -2.067 18.658 0.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -0.661 17.769 0.204 1.00 0.00 H new ATOM 741 N ASP A 58 -4.368 13.702 -4.109 1.00 0.00 N ATOM 742 CA ASP A 58 -3.893 12.722 -5.078 1.00 0.00 C ATOM 743 C ASP A 58 -5.063 12.071 -5.811 1.00 0.00 C ATOM 744 O ASP A 58 -5.079 12.005 -7.039 1.00 0.00 O ATOM 745 CB ASP A 58 -3.048 11.653 -4.380 1.00 0.00 C ATOM 746 CG ASP A 58 -1.617 11.621 -4.887 1.00 0.00 C ATOM 747 OD1 ASP A 58 -1.218 12.568 -5.599 1.00 0.00 O ATOM 748 OD2 ASP A 58 -0.898 10.651 -4.572 1.00 0.00 O ATOM 0 H ASP A 58 -4.083 13.516 -3.147 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.274 13.240 -5.811 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.046 11.840 -3.306 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -3.506 10.676 -4.532 1.00 0.00 H new ATOM 753 N GLY A 59 -6.040 11.595 -5.047 1.00 0.00 N ATOM 754 CA GLY A 59 -7.203 10.960 -5.638 1.00 0.00 C ATOM 755 C GLY A 59 -6.857 9.700 -6.408 1.00 0.00 C ATOM 756 O GLY A 59 -7.284 9.528 -7.550 1.00 0.00 O ATOM 0 H GLY A 59 -6.047 11.638 -4.028 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -7.917 10.715 -4.851 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.696 11.665 -6.307 1.00 0.00 H new ATOM 760 N ARG A 60 -6.087 8.815 -5.784 1.00 0.00 N ATOM 761 CA ARG A 60 -5.691 7.565 -6.422 1.00 0.00 C ATOM 762 C ARG A 60 -5.476 6.465 -5.388 1.00 0.00 C ATOM 763 O ARG A 60 -5.983 5.353 -5.534 1.00 0.00 O ATOM 764 CB ARG A 60 -4.420 7.765 -7.248 1.00 0.00 C ATOM 765 CG ARG A 60 -3.250 8.316 -6.450 1.00 0.00 C ATOM 766 CD ARG A 60 -2.204 8.943 -7.360 1.00 0.00 C ATOM 767 NE ARG A 60 -2.307 10.399 -7.389 1.00 0.00 N ATOM 768 CZ ARG A 60 -1.567 11.181 -8.171 1.00 0.00 C ATOM 769 NH1 ARG A 60 -0.684 10.654 -9.010 1.00 0.00 N ATOM 770 NH2 ARG A 60 -1.709 12.498 -8.116 1.00 0.00 N ATOM 0 H ARG A 60 -5.725 8.940 -4.839 1.00 0.00 H new ATOM 0 HA ARG A 60 -6.499 7.257 -7.086 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -4.130 6.811 -7.688 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -4.637 8.444 -8.073 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -3.610 9.061 -5.740 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -2.795 7.515 -5.868 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -1.209 8.657 -7.020 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -2.321 8.551 -8.370 1.00 0.00 H new ATOM 0 HE ARG A 60 -2.987 10.844 -6.773 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.568 9.642 -9.059 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -0.121 11.261 -9.606 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -2.385 12.912 -7.474 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -1.142 13.098 -8.715 1.00 0.00 H new ATOM 784 N LEU A 61 -4.721 6.783 -4.342 1.00 0.00 N ATOM 785 CA LEU A 61 -4.435 5.825 -3.280 1.00 0.00 C ATOM 786 C LEU A 61 -5.722 5.363 -2.602 1.00 0.00 C ATOM 787 O LEU A 61 -6.298 6.083 -1.786 1.00 0.00 O ATOM 788 CB LEU A 61 -3.504 6.455 -2.245 1.00 0.00 C ATOM 789 CG LEU A 61 -3.902 7.860 -1.803 1.00 0.00 C ATOM 790 CD1 LEU A 61 -3.833 7.980 -0.292 1.00 0.00 C ATOM 791 CD2 LEU A 61 -3.015 8.900 -2.470 1.00 0.00 C ATOM 0 H LEU A 61 -4.295 7.700 -4.207 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.948 4.957 -3.725 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.468 5.809 -1.368 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.495 6.490 -2.657 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.931 8.043 -2.113 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.120 8.988 0.006 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.514 7.260 0.162 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.816 7.778 0.043 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.313 9.896 -2.143 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.976 8.723 -2.193 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.119 8.827 -3.553 1.00 0.00 H new ATOM 803 N ARG A 62 -6.167 4.156 -2.941 1.00 0.00 N ATOM 804 CA ARG A 62 -7.384 3.598 -2.360 1.00 0.00 C ATOM 805 C ARG A 62 -7.056 2.728 -1.150 1.00 0.00 C ATOM 806 O ARG A 62 -6.111 1.941 -1.182 1.00 0.00 O ATOM 807 CB ARG A 62 -8.137 2.774 -3.405 1.00 0.00 C ATOM 808 CG ARG A 62 -9.614 2.591 -3.090 1.00 0.00 C ATOM 809 CD ARG A 62 -10.001 1.121 -3.007 1.00 0.00 C ATOM 810 NE ARG A 62 -9.318 0.307 -4.012 1.00 0.00 N ATOM 811 CZ ARG A 62 -9.551 0.391 -5.320 1.00 0.00 C ATOM 812 NH1 ARG A 62 -10.453 1.244 -5.787 1.00 0.00 N ATOM 813 NH2 ARG A 62 -8.880 -0.384 -6.163 1.00 0.00 N ATOM 0 H ARG A 62 -5.703 3.546 -3.615 1.00 0.00 H new ATOM 0 HA ARG A 62 -8.016 4.423 -2.032 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -8.039 3.258 -4.377 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -7.668 1.794 -3.489 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -9.847 3.081 -2.145 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -10.212 3.081 -3.859 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -9.764 0.741 -2.013 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -11.079 1.024 -3.136 1.00 0.00 H new ATOM 0 HE ARG A 62 -8.621 -0.365 -3.691 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -10.973 1.840 -5.143 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -10.627 1.304 -6.790 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -8.187 -1.043 -5.808 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -9.058 -0.321 -7.165 1.00 0.00 H new ATOM 827 N VAL A 63 -7.842 2.872 -0.086 1.00 0.00 N ATOM 828 CA VAL A 63 -7.623 2.092 1.125 1.00 0.00 C ATOM 829 C VAL A 63 -7.747 0.597 0.844 1.00 0.00 C ATOM 830 O VAL A 63 -8.823 0.022 0.998 1.00 0.00 O ATOM 831 CB VAL A 63 -8.614 2.473 2.242 1.00 0.00 C ATOM 832 CG1 VAL A 63 -8.124 3.698 2.996 1.00 0.00 C ATOM 833 CG2 VAL A 63 -10.008 2.700 1.680 1.00 0.00 C ATOM 0 H VAL A 63 -8.631 3.517 -0.039 1.00 0.00 H new ATOM 0 HA VAL A 63 -6.611 2.320 1.461 1.00 0.00 H new ATOM 0 HB VAL A 63 -8.671 1.642 2.944 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -8.837 3.952 3.781 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -7.153 3.486 3.443 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -8.030 4.537 2.306 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -10.687 2.967 2.489 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -9.978 3.508 0.949 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -10.359 1.787 1.198 1.00 0.00 H new ATOM 843 N ASN A 64 -6.632 -0.016 0.434 1.00 0.00 N ATOM 844 CA ASN A 64 -6.567 -1.447 0.121 1.00 0.00 C ATOM 845 C ASN A 64 -5.455 -1.729 -0.889 1.00 0.00 C ATOM 846 O ASN A 64 -4.946 -2.848 -0.966 1.00 0.00 O ATOM 847 CB ASN A 64 -7.903 -1.965 -0.427 1.00 0.00 C ATOM 848 CG ASN A 64 -8.717 -2.689 0.631 1.00 0.00 C ATOM 849 OD1 ASN A 64 -8.561 -2.279 1.887 1.00 0.00 O flip ATOM 850 ND2 ASN A 64 -9.480 -3.604 0.323 1.00 0.00 N flip ATOM 0 H ASN A 64 -5.744 0.470 0.309 1.00 0.00 H new ATOM 0 HA ASN A 64 -6.350 -1.972 1.051 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -8.482 -1.128 -0.818 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -7.714 -2.640 -1.262 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -9.569 -3.887 -0.653 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -10.023 -4.080 1.044 1.00 0.00 H new ATOM 857 N ASP A 65 -5.085 -0.711 -1.663 1.00 0.00 N ATOM 858 CA ASP A 65 -4.036 -0.852 -2.667 1.00 0.00 C ATOM 859 C ASP A 65 -2.754 -1.401 -2.048 1.00 0.00 C ATOM 860 O ASP A 65 -2.353 -0.990 -0.959 1.00 0.00 O ATOM 861 CB ASP A 65 -3.757 0.495 -3.334 1.00 0.00 C ATOM 862 CG ASP A 65 -4.691 0.770 -4.496 1.00 0.00 C ATOM 863 OD1 ASP A 65 -4.558 0.095 -5.539 1.00 0.00 O ATOM 864 OD2 ASP A 65 -5.557 1.660 -4.363 1.00 0.00 O ATOM 0 H ASP A 65 -5.497 0.221 -1.613 1.00 0.00 H new ATOM 0 HA ASP A 65 -4.384 -1.559 -3.420 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -3.857 1.290 -2.595 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -2.726 0.516 -3.687 1.00 0.00 H new ATOM 869 N GLN A 66 -2.117 -2.333 -2.752 1.00 0.00 N ATOM 870 CA GLN A 66 -0.880 -2.944 -2.277 1.00 0.00 C ATOM 871 C GLN A 66 0.330 -2.112 -2.693 1.00 0.00 C ATOM 872 O GLN A 66 0.508 -1.805 -3.871 1.00 0.00 O ATOM 873 CB GLN A 66 -0.753 -4.367 -2.827 1.00 0.00 C ATOM 874 CG GLN A 66 0.562 -5.047 -2.475 1.00 0.00 C ATOM 875 CD GLN A 66 0.390 -6.169 -1.471 1.00 0.00 C ATOM 876 OE1 GLN A 66 -0.719 -6.651 -1.243 1.00 0.00 O ATOM 877 NE2 GLN A 66 1.491 -6.592 -0.864 1.00 0.00 N ATOM 0 H GLN A 66 -2.438 -2.682 -3.655 1.00 0.00 H new ATOM 0 HA GLN A 66 -0.912 -2.983 -1.188 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -1.577 -4.969 -2.444 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -0.857 -4.338 -3.912 1.00 0.00 H new ATOM 0 HG2 GLN A 66 1.015 -5.444 -3.383 1.00 0.00 H new ATOM 0 HG3 GLN A 66 1.253 -4.307 -2.071 1.00 0.00 H new ATOM 0 HE21 GLN A 66 2.391 -6.164 -1.083 1.00 0.00 H new ATOM 0 HE22 GLN A 66 1.438 -7.345 -0.178 1.00 0.00 H new ATOM 886 N LEU A 67 1.163 -1.757 -1.719 1.00 0.00 N ATOM 887 CA LEU A 67 2.361 -0.968 -1.988 1.00 0.00 C ATOM 888 C LEU A 67 3.473 -1.856 -2.535 1.00 0.00 C ATOM 889 O LEU A 67 3.689 -2.966 -2.048 1.00 0.00 O ATOM 890 CB LEU A 67 2.830 -0.264 -0.714 1.00 0.00 C ATOM 891 CG LEU A 67 1.840 0.744 -0.130 1.00 0.00 C ATOM 892 CD1 LEU A 67 2.160 1.022 1.332 1.00 0.00 C ATOM 893 CD2 LEU A 67 1.855 2.035 -0.935 1.00 0.00 C ATOM 0 H LEU A 67 1.031 -2.003 -0.738 1.00 0.00 H new ATOM 0 HA LEU A 67 2.116 -0.215 -2.737 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.045 -1.019 0.042 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.767 0.251 -0.926 1.00 0.00 H new ATOM 0 HG LEU A 67 0.839 0.315 -0.187 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.445 1.742 1.731 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.097 0.094 1.901 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.168 1.429 1.413 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.144 2.740 -0.505 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.855 2.467 -0.911 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.576 1.823 -1.967 1.00 0.00 H new ATOM 905 N ILE A 68 4.174 -1.367 -3.552 1.00 0.00 N ATOM 906 CA ILE A 68 5.257 -2.128 -4.163 1.00 0.00 C ATOM 907 C ILE A 68 6.583 -1.374 -4.105 1.00 0.00 C ATOM 908 O ILE A 68 7.642 -1.982 -3.956 1.00 0.00 O ATOM 909 CB ILE A 68 4.943 -2.470 -5.634 1.00 0.00 C ATOM 910 CG1 ILE A 68 3.545 -3.081 -5.748 1.00 0.00 C ATOM 911 CG2 ILE A 68 5.989 -3.422 -6.193 1.00 0.00 C ATOM 912 CD1 ILE A 68 3.397 -4.394 -5.008 1.00 0.00 C ATOM 0 H ILE A 68 4.012 -0.450 -3.969 1.00 0.00 H new ATOM 0 HA ILE A 68 5.347 -3.049 -3.587 1.00 0.00 H new ATOM 0 HB ILE A 68 4.969 -1.551 -6.219 1.00 0.00 H new ATOM 0 HG12 ILE A 68 2.814 -2.371 -5.361 1.00 0.00 H new ATOM 0 HG13 ILE A 68 3.311 -3.238 -6.801 1.00 0.00 H new ATOM 0 HG21 ILE A 68 5.753 -3.653 -7.232 1.00 0.00 H new ATOM 0 HG22 ILE A 68 6.972 -2.954 -6.140 1.00 0.00 H new ATOM 0 HG23 ILE A 68 5.993 -4.342 -5.608 1.00 0.00 H new ATOM 0 HD11 ILE A 68 2.381 -4.769 -5.132 1.00 0.00 H new ATOM 0 HD12 ILE A 68 4.104 -5.120 -5.410 1.00 0.00 H new ATOM 0 HD13 ILE A 68 3.599 -4.239 -3.948 1.00 0.00 H new ATOM 924 N ALA A 69 6.527 -0.052 -4.230 1.00 0.00 N ATOM 925 CA ALA A 69 7.735 0.763 -4.195 1.00 0.00 C ATOM 926 C ALA A 69 7.425 2.216 -3.853 1.00 0.00 C ATOM 927 O ALA A 69 6.276 2.652 -3.920 1.00 0.00 O ATOM 928 CB ALA A 69 8.460 0.680 -5.529 1.00 0.00 C ATOM 0 H ALA A 69 5.663 0.475 -4.356 1.00 0.00 H new ATOM 0 HA ALA A 69 8.380 0.369 -3.409 1.00 0.00 H new ATOM 0 HB1 ALA A 69 9.361 1.292 -5.492 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.733 -0.356 -5.731 1.00 0.00 H new ATOM 0 HB3 ALA A 69 7.806 1.044 -6.322 1.00 0.00 H new ATOM 934 N VAL A 70 8.465 2.960 -3.490 1.00 0.00 N ATOM 935 CA VAL A 70 8.321 4.368 -3.139 1.00 0.00 C ATOM 936 C VAL A 70 9.584 5.148 -3.499 1.00 0.00 C ATOM 937 O VAL A 70 10.616 5.016 -2.843 1.00 0.00 O ATOM 938 CB VAL A 70 8.021 4.547 -1.638 1.00 0.00 C ATOM 939 CG1 VAL A 70 9.129 3.942 -0.790 1.00 0.00 C ATOM 940 CG2 VAL A 70 7.821 6.019 -1.298 1.00 0.00 C ATOM 0 H VAL A 70 9.421 2.609 -3.431 1.00 0.00 H new ATOM 0 HA VAL A 70 7.480 4.758 -3.712 1.00 0.00 H new ATOM 0 HB VAL A 70 7.095 4.019 -1.412 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.896 4.080 0.266 1.00 0.00 H new ATOM 0 HG12 VAL A 70 9.213 2.877 -1.007 1.00 0.00 H new ATOM 0 HG13 VAL A 70 10.074 4.435 -1.020 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.610 6.121 -0.233 1.00 0.00 H new ATOM 0 HG22 VAL A 70 8.725 6.575 -1.544 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.984 6.415 -1.873 1.00 0.00 H new ATOM 950 N ASN A 71 9.493 5.959 -4.550 1.00 0.00 N ATOM 951 CA ASN A 71 10.628 6.756 -5.001 1.00 0.00 C ATOM 952 C ASN A 71 11.811 5.862 -5.355 1.00 0.00 C ATOM 953 O ASN A 71 12.965 6.218 -5.120 1.00 0.00 O ATOM 954 CB ASN A 71 11.040 7.757 -3.919 1.00 0.00 C ATOM 955 CG ASN A 71 9.879 8.610 -3.447 1.00 0.00 C ATOM 956 OD1 ASN A 71 9.274 9.342 -4.230 1.00 0.00 O ATOM 957 ND2 ASN A 71 9.565 8.520 -2.161 1.00 0.00 N ATOM 0 H ASN A 71 8.645 6.081 -5.104 1.00 0.00 H new ATOM 0 HA ASN A 71 10.324 7.302 -5.894 1.00 0.00 H new ATOM 0 HB2 ASN A 71 11.459 7.218 -3.070 1.00 0.00 H new ATOM 0 HB3 ASN A 71 11.828 8.403 -4.307 1.00 0.00 H new ATOM 0 HD21 ASN A 71 8.794 9.071 -1.785 1.00 0.00 H new ATOM 0 HD22 ASN A 71 10.095 7.899 -1.549 1.00 0.00 H new ATOM 964 N GLY A 72 11.516 4.694 -5.918 1.00 0.00 N ATOM 965 CA GLY A 72 12.564 3.764 -6.290 1.00 0.00 C ATOM 966 C GLY A 72 12.849 2.746 -5.202 1.00 0.00 C ATOM 967 O GLY A 72 13.460 1.710 -5.459 1.00 0.00 O ATOM 0 H GLY A 72 10.569 4.376 -6.123 1.00 0.00 H new ATOM 0 HA2 GLY A 72 12.276 3.244 -7.204 1.00 0.00 H new ATOM 0 HA3 GLY A 72 13.476 4.319 -6.512 1.00 0.00 H new ATOM 971 N GLU A 73 12.405 3.042 -3.982 1.00 0.00 N ATOM 972 CA GLU A 73 12.615 2.145 -2.854 1.00 0.00 C ATOM 973 C GLU A 73 11.624 0.987 -2.891 1.00 0.00 C ATOM 974 O GLU A 73 10.509 1.092 -2.378 1.00 0.00 O ATOM 975 CB GLU A 73 12.479 2.910 -1.535 1.00 0.00 C ATOM 976 CG GLU A 73 13.529 2.533 -0.503 1.00 0.00 C ATOM 977 CD GLU A 73 14.045 3.732 0.268 1.00 0.00 C ATOM 978 OE1 GLU A 73 13.226 4.424 0.907 1.00 0.00 O ATOM 979 OE2 GLU A 73 15.269 3.979 0.232 1.00 0.00 O ATOM 0 H GLU A 73 11.898 3.897 -3.752 1.00 0.00 H new ATOM 0 HA GLU A 73 13.624 1.738 -2.926 1.00 0.00 H new ATOM 0 HB2 GLU A 73 12.546 3.979 -1.736 1.00 0.00 H new ATOM 0 HB3 GLU A 73 11.489 2.726 -1.118 1.00 0.00 H new ATOM 0 HG2 GLU A 73 13.104 1.812 0.195 1.00 0.00 H new ATOM 0 HG3 GLU A 73 14.363 2.040 -1.002 1.00 0.00 H new ATOM 986 N SER A 74 12.038 -0.118 -3.502 1.00 0.00 N ATOM 987 CA SER A 74 11.189 -1.299 -3.610 1.00 0.00 C ATOM 988 C SER A 74 10.714 -1.758 -2.235 1.00 0.00 C ATOM 989 O SER A 74 11.435 -1.640 -1.245 1.00 0.00 O ATOM 990 CB SER A 74 11.946 -2.433 -4.304 1.00 0.00 C ATOM 991 OG SER A 74 11.066 -3.482 -4.673 1.00 0.00 O ATOM 0 H SER A 74 12.958 -0.220 -3.931 1.00 0.00 H new ATOM 0 HA SER A 74 10.315 -1.034 -4.205 1.00 0.00 H new ATOM 0 HB2 SER A 74 12.451 -2.049 -5.190 1.00 0.00 H new ATOM 0 HB3 SER A 74 12.719 -2.819 -3.639 1.00 0.00 H new ATOM 0 HG SER A 74 11.573 -4.194 -5.116 1.00 0.00 H new ATOM 997 N LEU A 75 9.492 -2.277 -2.182 1.00 0.00 N ATOM 998 CA LEU A 75 8.916 -2.749 -0.927 1.00 0.00 C ATOM 999 C LEU A 75 8.723 -4.265 -0.940 1.00 0.00 C ATOM 1000 O LEU A 75 8.610 -4.891 0.113 1.00 0.00 O ATOM 1001 CB LEU A 75 7.575 -2.058 -0.664 1.00 0.00 C ATOM 1002 CG LEU A 75 7.661 -0.654 -0.054 1.00 0.00 C ATOM 1003 CD1 LEU A 75 6.300 -0.222 0.471 1.00 0.00 C ATOM 1004 CD2 LEU A 75 8.697 -0.605 1.058 1.00 0.00 C ATOM 0 H LEU A 75 8.881 -2.382 -2.992 1.00 0.00 H new ATOM 0 HA LEU A 75 9.613 -2.500 -0.127 1.00 0.00 H new ATOM 0 HB2 LEU A 75 7.030 -1.993 -1.605 1.00 0.00 H new ATOM 0 HB3 LEU A 75 6.986 -2.689 0.002 1.00 0.00 H new ATOM 0 HG LEU A 75 7.972 0.038 -0.837 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.376 0.777 0.901 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.581 -0.210 -0.348 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.966 -0.922 1.237 1.00 0.00 H new ATOM 0 HD21 LEU A 75 8.738 0.402 1.473 1.00 0.00 H new ATOM 0 HD22 LEU A 75 8.422 -1.310 1.842 1.00 0.00 H new ATOM 0 HD23 LEU A 75 9.675 -0.872 0.656 1.00 0.00 H new ATOM 1016 N LEU A 76 8.681 -4.852 -2.135 1.00 0.00 N ATOM 1017 CA LEU A 76 8.497 -6.294 -2.273 1.00 0.00 C ATOM 1018 C LEU A 76 9.440 -7.060 -1.350 1.00 0.00 C ATOM 1019 O LEU A 76 9.016 -7.955 -0.616 1.00 0.00 O ATOM 1020 CB LEU A 76 8.723 -6.722 -3.725 1.00 0.00 C ATOM 1021 CG LEU A 76 7.478 -6.678 -4.614 1.00 0.00 C ATOM 1022 CD1 LEU A 76 7.800 -7.195 -6.008 1.00 0.00 C ATOM 1023 CD2 LEU A 76 6.351 -7.486 -3.990 1.00 0.00 C ATOM 0 H LEU A 76 8.772 -4.352 -3.019 1.00 0.00 H new ATOM 0 HA LEU A 76 7.472 -6.531 -1.987 1.00 0.00 H new ATOM 0 HB2 LEU A 76 9.486 -6.079 -4.163 1.00 0.00 H new ATOM 0 HB3 LEU A 76 9.120 -7.737 -3.731 1.00 0.00 H new ATOM 0 HG LEU A 76 7.151 -5.642 -4.700 1.00 0.00 H new ATOM 0 HD11 LEU A 76 6.903 -7.157 -6.626 1.00 0.00 H new ATOM 0 HD12 LEU A 76 8.576 -6.575 -6.456 1.00 0.00 H new ATOM 0 HD13 LEU A 76 8.151 -8.225 -5.942 1.00 0.00 H new ATOM 0 HD21 LEU A 76 5.473 -7.444 -4.635 1.00 0.00 H new ATOM 0 HD22 LEU A 76 6.667 -8.523 -3.874 1.00 0.00 H new ATOM 0 HD23 LEU A 76 6.104 -7.071 -3.013 1.00 0.00 H new ATOM 1035 N GLY A 77 10.720 -6.703 -1.386 1.00 0.00 N ATOM 1036 CA GLY A 77 11.697 -7.366 -0.542 1.00 0.00 C ATOM 1037 C GLY A 77 11.506 -7.032 0.924 1.00 0.00 C ATOM 1038 O GLY A 77 11.819 -7.840 1.799 1.00 0.00 O ATOM 0 H GLY A 77 11.098 -5.968 -1.984 1.00 0.00 H new ATOM 0 HA2 GLY A 77 11.622 -8.445 -0.680 1.00 0.00 H new ATOM 0 HA3 GLY A 77 12.700 -7.074 -0.852 1.00 0.00 H new ATOM 1042 N LYS A 78 10.989 -5.837 1.190 1.00 0.00 N ATOM 1043 CA LYS A 78 10.749 -5.388 2.554 1.00 0.00 C ATOM 1044 C LYS A 78 9.503 -6.038 3.132 1.00 0.00 C ATOM 1045 O LYS A 78 8.468 -6.124 2.471 1.00 0.00 O ATOM 1046 CB LYS A 78 10.604 -3.869 2.593 1.00 0.00 C ATOM 1047 CG LYS A 78 11.933 -3.136 2.607 1.00 0.00 C ATOM 1048 CD LYS A 78 11.775 -1.707 3.088 1.00 0.00 C ATOM 1049 CE LYS A 78 13.072 -1.166 3.661 1.00 0.00 C ATOM 1050 NZ LYS A 78 13.762 -0.253 2.710 1.00 0.00 N ATOM 0 H LYS A 78 10.727 -5.160 0.474 1.00 0.00 H new ATOM 0 HA LYS A 78 11.605 -5.684 3.160 1.00 0.00 H new ATOM 0 HB2 LYS A 78 10.028 -3.544 1.727 1.00 0.00 H new ATOM 0 HB3 LYS A 78 10.034 -3.589 3.479 1.00 0.00 H new ATOM 0 HG2 LYS A 78 12.634 -3.663 3.254 1.00 0.00 H new ATOM 0 HG3 LYS A 78 12.361 -3.138 1.605 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.451 -1.077 2.260 1.00 0.00 H new ATOM 0 HD3 LYS A 78 10.994 -1.662 3.847 1.00 0.00 H new ATOM 0 HE2 LYS A 78 12.864 -0.634 4.589 1.00 0.00 H new ATOM 0 HE3 LYS A 78 13.733 -1.996 3.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 14.643 0.094 3.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 13.983 -0.767 1.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 13.142 0.553 2.491 1.00 0.00 H new ATOM 1064 N ALA A 79 9.610 -6.484 4.374 1.00 0.00 N ATOM 1065 CA ALA A 79 8.497 -7.116 5.053 1.00 0.00 C ATOM 1066 C ALA A 79 7.488 -6.067 5.493 1.00 0.00 C ATOM 1067 O ALA A 79 7.582 -4.903 5.103 1.00 0.00 O ATOM 1068 CB ALA A 79 8.994 -7.914 6.248 1.00 0.00 C ATOM 0 H ALA A 79 10.462 -6.418 4.932 1.00 0.00 H new ATOM 0 HA ALA A 79 8.006 -7.801 4.362 1.00 0.00 H new ATOM 0 HB1 ALA A 79 8.148 -8.384 6.749 1.00 0.00 H new ATOM 0 HB2 ALA A 79 9.687 -8.683 5.909 1.00 0.00 H new ATOM 0 HB3 ALA A 79 9.504 -7.248 6.944 1.00 0.00 H new ATOM 1074 N ASN A 80 6.523 -6.477 6.302 1.00 0.00 N ATOM 1075 CA ASN A 80 5.503 -5.560 6.787 1.00 0.00 C ATOM 1076 C ASN A 80 6.131 -4.380 7.522 1.00 0.00 C ATOM 1077 O ASN A 80 5.830 -3.223 7.228 1.00 0.00 O ATOM 1078 CB ASN A 80 4.533 -6.296 7.710 1.00 0.00 C ATOM 1079 CG ASN A 80 3.799 -7.415 6.999 1.00 0.00 C ATOM 1080 OD1 ASN A 80 3.334 -7.249 5.871 1.00 0.00 O ATOM 1081 ND2 ASN A 80 3.692 -8.564 7.655 1.00 0.00 N ATOM 0 H ASN A 80 6.425 -7.436 6.636 1.00 0.00 H new ATOM 0 HA ASN A 80 4.957 -5.173 5.927 1.00 0.00 H new ATOM 0 HB2 ASN A 80 5.082 -6.706 8.558 1.00 0.00 H new ATOM 0 HB3 ASN A 80 3.809 -5.587 8.112 1.00 0.00 H new ATOM 0 HD21 ASN A 80 3.209 -9.353 7.226 1.00 0.00 H new ATOM 0 HD22 ASN A 80 4.093 -8.658 8.588 1.00 0.00 H new ATOM 1088 N GLN A 81 6.997 -4.680 8.484 1.00 0.00 N ATOM 1089 CA GLN A 81 7.657 -3.645 9.275 1.00 0.00 C ATOM 1090 C GLN A 81 8.619 -2.807 8.434 1.00 0.00 C ATOM 1091 O GLN A 81 8.632 -1.581 8.539 1.00 0.00 O ATOM 1092 CB GLN A 81 8.406 -4.271 10.455 1.00 0.00 C ATOM 1093 CG GLN A 81 9.235 -5.489 10.082 1.00 0.00 C ATOM 1094 CD GLN A 81 10.716 -5.290 10.340 1.00 0.00 C ATOM 1095 OE1 GLN A 81 11.505 -5.281 9.273 1.00 0.00 O flip ATOM 1096 NE2 GLN A 81 11.144 -5.146 11.485 1.00 0.00 N flip ATOM 0 H GLN A 81 7.259 -5.633 8.736 1.00 0.00 H new ATOM 0 HA GLN A 81 6.879 -2.981 9.650 1.00 0.00 H new ATOM 0 HB2 GLN A 81 9.061 -3.520 10.897 1.00 0.00 H new ATOM 0 HB3 GLN A 81 7.685 -4.555 11.221 1.00 0.00 H new ATOM 0 HG2 GLN A 81 8.884 -6.350 10.650 1.00 0.00 H new ATOM 0 HG3 GLN A 81 9.082 -5.719 9.028 1.00 0.00 H new ATOM 0 HE21 GLN A 81 10.500 -5.160 12.276 1.00 0.00 H new ATOM 0 HE22 GLN A 81 12.143 -5.013 11.643 1.00 0.00 H new ATOM 1105 N GLU A 82 9.429 -3.463 7.607 1.00 0.00 N ATOM 1106 CA GLU A 82 10.388 -2.750 6.770 1.00 0.00 C ATOM 1107 C GLU A 82 9.680 -1.798 5.822 1.00 0.00 C ATOM 1108 O GLU A 82 9.995 -0.609 5.764 1.00 0.00 O ATOM 1109 CB GLU A 82 11.223 -3.737 5.958 1.00 0.00 C ATOM 1110 CG GLU A 82 12.459 -4.224 6.685 1.00 0.00 C ATOM 1111 CD GLU A 82 13.736 -3.978 5.902 1.00 0.00 C ATOM 1112 OE1 GLU A 82 13.943 -4.659 4.876 1.00 0.00 O ATOM 1113 OE2 GLU A 82 14.527 -3.105 6.318 1.00 0.00 O ATOM 0 H GLU A 82 9.441 -4.477 7.499 1.00 0.00 H new ATOM 0 HA GLU A 82 11.040 -2.175 7.428 1.00 0.00 H new ATOM 0 HB2 GLU A 82 10.604 -4.595 5.696 1.00 0.00 H new ATOM 0 HB3 GLU A 82 11.524 -3.263 5.023 1.00 0.00 H new ATOM 0 HG2 GLU A 82 12.528 -3.723 7.651 1.00 0.00 H new ATOM 0 HG3 GLU A 82 12.361 -5.291 6.885 1.00 0.00 H new ATOM 1120 N ALA A 83 8.730 -2.334 5.072 1.00 0.00 N ATOM 1121 CA ALA A 83 7.982 -1.539 4.112 1.00 0.00 C ATOM 1122 C ALA A 83 7.216 -0.427 4.809 1.00 0.00 C ATOM 1123 O ALA A 83 7.050 0.664 4.263 1.00 0.00 O ATOM 1124 CB ALA A 83 7.040 -2.421 3.312 1.00 0.00 C ATOM 0 H ALA A 83 8.459 -3.317 5.110 1.00 0.00 H new ATOM 0 HA ALA A 83 8.691 -1.079 3.424 1.00 0.00 H new ATOM 0 HB1 ALA A 83 6.488 -1.810 2.598 1.00 0.00 H new ATOM 0 HB2 ALA A 83 7.616 -3.175 2.775 1.00 0.00 H new ATOM 0 HB3 ALA A 83 6.339 -2.912 3.988 1.00 0.00 H new ATOM 1130 N MET A 84 6.755 -0.704 6.023 1.00 0.00 N ATOM 1131 CA MET A 84 6.016 0.289 6.785 1.00 0.00 C ATOM 1132 C MET A 84 6.934 1.431 7.202 1.00 0.00 C ATOM 1133 O MET A 84 6.501 2.574 7.336 1.00 0.00 O ATOM 1134 CB MET A 84 5.349 -0.338 7.999 1.00 0.00 C ATOM 1135 CG MET A 84 3.865 -0.580 7.782 1.00 0.00 C ATOM 1136 SD MET A 84 3.054 -1.254 9.234 1.00 0.00 S ATOM 1137 CE MET A 84 4.238 -2.515 9.665 1.00 0.00 C ATOM 0 H MET A 84 6.879 -1.600 6.495 1.00 0.00 H new ATOM 0 HA MET A 84 5.231 0.693 6.145 1.00 0.00 H new ATOM 0 HB2 MET A 84 5.839 -1.284 8.232 1.00 0.00 H new ATOM 0 HB3 MET A 84 5.486 0.313 8.863 1.00 0.00 H new ATOM 0 HG2 MET A 84 3.385 0.358 7.505 1.00 0.00 H new ATOM 0 HG3 MET A 84 3.731 -1.265 6.945 1.00 0.00 H new ATOM 0 HE1 MET A 84 3.819 -3.158 10.440 1.00 0.00 H new ATOM 0 HE2 MET A 84 4.470 -3.113 8.784 1.00 0.00 H new ATOM 0 HE3 MET A 84 5.150 -2.047 10.036 1.00 0.00 H new ATOM 1147 N GLU A 85 8.213 1.113 7.378 1.00 0.00 N ATOM 1148 CA GLU A 85 9.202 2.114 7.749 1.00 0.00 C ATOM 1149 C GLU A 85 9.631 2.884 6.524 1.00 0.00 C ATOM 1150 O GLU A 85 9.842 4.083 6.589 1.00 0.00 O ATOM 1151 CB GLU A 85 10.429 1.468 8.388 1.00 0.00 C ATOM 1152 CG GLU A 85 10.209 1.001 9.810 1.00 0.00 C ATOM 1153 CD GLU A 85 9.572 2.061 10.688 1.00 0.00 C ATOM 1154 OE1 GLU A 85 8.330 2.196 10.651 1.00 0.00 O ATOM 1155 OE2 GLU A 85 10.314 2.756 11.414 1.00 0.00 O ATOM 0 H GLU A 85 8.587 0.170 7.269 1.00 0.00 H new ATOM 0 HA GLU A 85 8.745 2.787 8.475 1.00 0.00 H new ATOM 0 HB2 GLU A 85 10.736 0.617 7.781 1.00 0.00 H new ATOM 0 HB3 GLU A 85 11.252 2.183 8.375 1.00 0.00 H new ATOM 0 HG2 GLU A 85 9.575 0.114 9.802 1.00 0.00 H new ATOM 0 HG3 GLU A 85 11.165 0.705 10.242 1.00 0.00 H new ATOM 1162 N THR A 86 9.753 2.178 5.407 1.00 0.00 N ATOM 1163 CA THR A 86 10.147 2.796 4.151 1.00 0.00 C ATOM 1164 C THR A 86 9.168 3.909 3.797 1.00 0.00 C ATOM 1165 O THR A 86 9.565 4.978 3.336 1.00 0.00 O ATOM 1166 CB THR A 86 10.200 1.739 3.042 1.00 0.00 C ATOM 1167 OG1 THR A 86 11.392 0.982 3.135 1.00 0.00 O ATOM 1168 CG2 THR A 86 10.135 2.313 1.643 1.00 0.00 C ATOM 0 H THR A 86 9.584 1.174 5.347 1.00 0.00 H new ATOM 0 HA THR A 86 11.141 3.231 4.255 1.00 0.00 H new ATOM 0 HB THR A 86 9.315 1.122 3.198 1.00 0.00 H new ATOM 0 HG1 THR A 86 12.021 1.434 3.735 1.00 0.00 H new ATOM 0 HG21 THR A 86 10.178 1.503 0.915 1.00 0.00 H new ATOM 0 HG22 THR A 86 9.203 2.864 1.519 1.00 0.00 H new ATOM 0 HG23 THR A 86 10.978 2.986 1.486 1.00 0.00 H new ATOM 1176 N LEU A 87 7.887 3.656 4.047 1.00 0.00 N ATOM 1177 CA LEU A 87 6.856 4.646 3.786 1.00 0.00 C ATOM 1178 C LEU A 87 7.013 5.789 4.774 1.00 0.00 C ATOM 1179 O LEU A 87 7.179 6.945 4.388 1.00 0.00 O ATOM 1180 CB LEU A 87 5.464 4.025 3.910 1.00 0.00 C ATOM 1181 CG LEU A 87 5.139 2.953 2.868 1.00 0.00 C ATOM 1182 CD1 LEU A 87 4.162 1.936 3.436 1.00 0.00 C ATOM 1183 CD2 LEU A 87 4.575 3.590 1.607 1.00 0.00 C ATOM 0 H LEU A 87 7.542 2.775 4.429 1.00 0.00 H new ATOM 0 HA LEU A 87 6.965 5.020 2.768 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.365 3.587 4.903 1.00 0.00 H new ATOM 0 HB3 LEU A 87 4.721 4.819 3.837 1.00 0.00 H new ATOM 0 HG LEU A 87 6.062 2.434 2.608 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.942 1.181 2.681 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.603 1.457 4.310 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.239 2.440 3.725 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.349 2.813 0.877 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.663 4.134 1.851 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.308 4.280 1.189 1.00 0.00 H new ATOM 1195 N ARG A 88 6.998 5.445 6.059 1.00 0.00 N ATOM 1196 CA ARG A 88 7.176 6.429 7.116 1.00 0.00 C ATOM 1197 C ARG A 88 8.506 7.151 6.927 1.00 0.00 C ATOM 1198 O ARG A 88 8.667 8.309 7.314 1.00 0.00 O ATOM 1199 CB ARG A 88 7.140 5.752 8.487 1.00 0.00 C ATOM 1200 CG ARG A 88 5.806 5.096 8.804 1.00 0.00 C ATOM 1201 CD ARG A 88 5.866 4.305 10.101 1.00 0.00 C ATOM 1202 NE ARG A 88 4.639 4.442 10.883 1.00 0.00 N ATOM 1203 CZ ARG A 88 4.555 4.171 12.185 1.00 0.00 C ATOM 1204 NH1 ARG A 88 5.621 3.745 12.850 1.00 0.00 N ATOM 1205 NH2 ARG A 88 3.402 4.324 12.820 1.00 0.00 N ATOM 0 H ARG A 88 6.864 4.490 6.391 1.00 0.00 H new ATOM 0 HA ARG A 88 6.362 7.152 7.064 1.00 0.00 H new ATOM 0 HB2 ARG A 88 7.926 4.999 8.532 1.00 0.00 H new ATOM 0 HB3 ARG A 88 7.364 6.492 9.255 1.00 0.00 H new ATOM 0 HG2 ARG A 88 5.033 5.860 8.879 1.00 0.00 H new ATOM 0 HG3 ARG A 88 5.522 4.434 7.986 1.00 0.00 H new ATOM 0 HD2 ARG A 88 6.037 3.252 9.876 1.00 0.00 H new ATOM 0 HD3 ARG A 88 6.714 4.646 10.695 1.00 0.00 H new ATOM 0 HE ARG A 88 3.798 4.764 10.404 1.00 0.00 H new ATOM 0 HH11 ARG A 88 6.510 3.624 12.365 1.00 0.00 H new ATOM 0 HH12 ARG A 88 5.552 3.539 13.847 1.00 0.00 H new ATOM 0 HH21 ARG A 88 2.579 4.649 12.312 1.00 0.00 H new ATOM 0 HH22 ARG A 88 3.337 4.117 13.817 1.00 0.00 H new ATOM 1219 N ARG A 89 9.448 6.448 6.307 1.00 0.00 N ATOM 1220 CA ARG A 89 10.768 6.990 6.034 1.00 0.00 C ATOM 1221 C ARG A 89 10.683 8.014 4.913 1.00 0.00 C ATOM 1222 O ARG A 89 11.290 9.082 4.983 1.00 0.00 O ATOM 1223 CB ARG A 89 11.738 5.863 5.665 1.00 0.00 C ATOM 1224 CG ARG A 89 12.850 5.668 6.678 1.00 0.00 C ATOM 1225 CD ARG A 89 13.911 4.707 6.165 1.00 0.00 C ATOM 1226 NE ARG A 89 14.839 4.304 7.218 1.00 0.00 N ATOM 1227 CZ ARG A 89 16.034 3.766 6.988 1.00 0.00 C ATOM 1228 NH1 ARG A 89 16.450 3.565 5.744 1.00 0.00 N ATOM 1229 NH2 ARG A 89 16.816 3.427 8.004 1.00 0.00 N ATOM 0 H ARG A 89 9.316 5.490 5.982 1.00 0.00 H new ATOM 0 HA ARG A 89 11.144 7.484 6.930 1.00 0.00 H new ATOM 0 HB2 ARG A 89 11.180 4.932 5.566 1.00 0.00 H new ATOM 0 HB3 ARG A 89 12.178 6.077 4.691 1.00 0.00 H new ATOM 0 HG2 ARG A 89 13.309 6.630 6.905 1.00 0.00 H new ATOM 0 HG3 ARG A 89 12.432 5.286 7.609 1.00 0.00 H new ATOM 0 HD2 ARG A 89 13.428 3.823 5.749 1.00 0.00 H new ATOM 0 HD3 ARG A 89 14.466 5.179 5.354 1.00 0.00 H new ATOM 0 HE ARG A 89 14.554 4.443 8.187 1.00 0.00 H new ATOM 0 HH11 ARG A 89 15.853 3.823 4.959 1.00 0.00 H new ATOM 0 HH12 ARG A 89 17.367 3.152 5.573 1.00 0.00 H new ATOM 0 HH21 ARG A 89 16.501 3.579 8.962 1.00 0.00 H new ATOM 0 HH22 ARG A 89 17.732 3.015 7.827 1.00 0.00 H new ATOM 1243 N SER A 90 9.908 7.682 3.886 1.00 0.00 N ATOM 1244 CA SER A 90 9.724 8.576 2.754 1.00 0.00 C ATOM 1245 C SER A 90 8.977 9.826 3.200 1.00 0.00 C ATOM 1246 O SER A 90 9.357 10.947 2.861 1.00 0.00 O ATOM 1247 CB SER A 90 8.960 7.872 1.632 1.00 0.00 C ATOM 1248 OG SER A 90 9.608 8.047 0.385 1.00 0.00 O ATOM 0 H SER A 90 9.399 6.801 3.816 1.00 0.00 H new ATOM 0 HA SER A 90 10.703 8.864 2.371 1.00 0.00 H new ATOM 0 HB2 SER A 90 8.877 6.808 1.856 1.00 0.00 H new ATOM 0 HB3 SER A 90 7.945 8.266 1.576 1.00 0.00 H new ATOM 0 HG SER A 90 10.567 7.873 0.487 1.00 0.00 H new ATOM 1254 N MET A 91 7.924 9.620 3.982 1.00 0.00 N ATOM 1255 CA MET A 91 7.131 10.724 4.503 1.00 0.00 C ATOM 1256 C MET A 91 7.919 11.486 5.565 1.00 0.00 C ATOM 1257 O MET A 91 7.604 12.631 5.888 1.00 0.00 O ATOM 1258 CB MET A 91 5.822 10.208 5.110 1.00 0.00 C ATOM 1259 CG MET A 91 5.061 9.229 4.227 1.00 0.00 C ATOM 1260 SD MET A 91 4.997 9.734 2.498 1.00 0.00 S ATOM 1261 CE MET A 91 4.490 8.202 1.723 1.00 0.00 C ATOM 0 H MET A 91 7.600 8.696 4.269 1.00 0.00 H new ATOM 0 HA MET A 91 6.898 11.395 3.676 1.00 0.00 H new ATOM 0 HB2 MET A 91 6.043 9.724 6.061 1.00 0.00 H new ATOM 0 HB3 MET A 91 5.177 11.059 5.328 1.00 0.00 H new ATOM 0 HG2 MET A 91 5.531 8.248 4.295 1.00 0.00 H new ATOM 0 HG3 MET A 91 4.044 9.123 4.606 1.00 0.00 H new ATOM 0 HE1 MET A 91 4.149 8.403 0.707 1.00 0.00 H new ATOM 0 HE2 MET A 91 5.334 7.513 1.693 1.00 0.00 H new ATOM 0 HE3 MET A 91 3.678 7.756 2.296 1.00 0.00 H new ATOM 1271 N SER A 92 8.937 10.829 6.115 1.00 0.00 N ATOM 1272 CA SER A 92 9.767 11.428 7.155 1.00 0.00 C ATOM 1273 C SER A 92 10.765 12.430 6.585 1.00 0.00 C ATOM 1274 O SER A 92 10.821 13.578 7.026 1.00 0.00 O ATOM 1275 CB SER A 92 10.513 10.336 7.924 1.00 0.00 C ATOM 1276 OG SER A 92 9.741 9.864 9.017 1.00 0.00 O ATOM 0 H SER A 92 9.207 9.880 5.857 1.00 0.00 H new ATOM 0 HA SER A 92 9.104 11.968 7.830 1.00 0.00 H new ATOM 0 HB2 SER A 92 10.745 9.508 7.254 1.00 0.00 H new ATOM 0 HB3 SER A 92 11.463 10.727 8.288 1.00 0.00 H new ATOM 0 HG SER A 92 8.977 9.350 8.680 1.00 0.00 H new ATOM 1282 N THR A 93 11.566 11.993 5.618 1.00 0.00 N ATOM 1283 CA THR A 93 12.572 12.867 5.018 1.00 0.00 C ATOM 1284 C THR A 93 13.321 12.181 3.876 1.00 0.00 C ATOM 1285 O THR A 93 14.443 11.706 4.052 1.00 0.00 O ATOM 1286 CB THR A 93 13.570 13.306 6.085 1.00 0.00 C ATOM 1287 OG1 THR A 93 14.537 14.185 5.542 1.00 0.00 O ATOM 1288 CG2 THR A 93 14.301 12.139 6.711 1.00 0.00 C ATOM 0 H THR A 93 11.540 11.048 5.235 1.00 0.00 H new ATOM 0 HA THR A 93 12.053 13.732 4.605 1.00 0.00 H new ATOM 0 HB THR A 93 12.982 13.809 6.853 1.00 0.00 H new ATOM 0 HG1 THR A 93 15.165 14.454 6.244 1.00 0.00 H new ATOM 0 HG21 THR A 93 14.998 12.508 7.463 1.00 0.00 H new ATOM 0 HG22 THR A 93 13.581 11.469 7.181 1.00 0.00 H new ATOM 0 HG23 THR A 93 14.851 11.598 5.940 1.00 0.00 H new ATOM 1296 N GLU A 94 12.702 12.149 2.705 1.00 0.00 N ATOM 1297 CA GLU A 94 13.308 11.542 1.522 1.00 0.00 C ATOM 1298 C GLU A 94 12.307 11.548 0.382 1.00 0.00 C ATOM 1299 O GLU A 94 12.586 12.060 -0.703 1.00 0.00 O ATOM 1300 CB GLU A 94 13.796 10.112 1.797 1.00 0.00 C ATOM 1301 CG GLU A 94 13.100 9.421 2.958 1.00 0.00 C ATOM 1302 CD GLU A 94 13.026 7.917 2.780 1.00 0.00 C ATOM 1303 OE1 GLU A 94 12.305 7.459 1.867 1.00 0.00 O ATOM 1304 OE2 GLU A 94 13.695 7.197 3.551 1.00 0.00 O ATOM 0 H GLU A 94 11.773 12.539 2.545 1.00 0.00 H new ATOM 0 HA GLU A 94 14.182 12.133 1.248 1.00 0.00 H new ATOM 0 HB2 GLU A 94 13.654 9.514 0.897 1.00 0.00 H new ATOM 0 HB3 GLU A 94 14.867 10.139 1.996 1.00 0.00 H new ATOM 0 HG2 GLU A 94 13.631 9.648 3.883 1.00 0.00 H new ATOM 0 HG3 GLU A 94 12.092 9.821 3.063 1.00 0.00 H new ATOM 1311 N GLY A 95 11.124 11.012 0.646 1.00 0.00 N ATOM 1312 CA GLY A 95 10.083 11.004 -0.358 1.00 0.00 C ATOM 1313 C GLY A 95 9.686 12.418 -0.721 1.00 0.00 C ATOM 1314 O GLY A 95 9.312 12.699 -1.856 1.00 0.00 O ATOM 0 H GLY A 95 10.868 10.584 1.536 1.00 0.00 H new ATOM 0 HA2 GLY A 95 10.431 10.478 -1.247 1.00 0.00 H new ATOM 0 HA3 GLY A 95 9.215 10.460 0.014 1.00 0.00 H new ATOM 1318 N ASN A 96 9.794 13.314 0.259 1.00 0.00 N ATOM 1319 CA ASN A 96 9.470 14.719 0.065 1.00 0.00 C ATOM 1320 C ASN A 96 10.655 15.442 -0.583 1.00 0.00 C ATOM 1321 O ASN A 96 10.855 15.347 -1.792 1.00 0.00 O ATOM 1322 CB ASN A 96 9.096 15.358 1.411 1.00 0.00 C ATOM 1323 CG ASN A 96 8.901 16.862 1.323 1.00 0.00 C ATOM 1324 OD1 ASN A 96 8.335 17.324 0.217 1.00 0.00 O flip ATOM 1325 ND2 ASN A 96 9.256 17.597 2.243 1.00 0.00 N flip ATOM 0 H ASN A 96 10.107 13.085 1.202 1.00 0.00 H new ATOM 0 HA ASN A 96 8.613 14.808 -0.603 1.00 0.00 H new ATOM 0 HB2 ASN A 96 8.179 14.900 1.782 1.00 0.00 H new ATOM 0 HB3 ASN A 96 9.878 15.141 2.139 1.00 0.00 H new ATOM 0 HD21 ASN A 96 9.688 17.198 3.077 1.00 0.00 H new ATOM 0 HD22 ASN A 96 9.119 18.605 2.172 1.00 0.00 H new ATOM 1332 N LYS A 97 11.448 16.152 0.225 1.00 0.00 N ATOM 1333 CA LYS A 97 12.621 16.874 -0.272 1.00 0.00 C ATOM 1334 C LYS A 97 12.342 17.591 -1.596 1.00 0.00 C ATOM 1335 O LYS A 97 13.260 17.832 -2.380 1.00 0.00 O ATOM 1336 CB LYS A 97 13.794 15.906 -0.442 1.00 0.00 C ATOM 1337 CG LYS A 97 14.025 15.010 0.763 1.00 0.00 C ATOM 1338 CD LYS A 97 14.198 15.821 2.038 1.00 0.00 C ATOM 1339 CE LYS A 97 15.507 16.592 2.033 1.00 0.00 C ATOM 1340 NZ LYS A 97 16.571 15.889 2.804 1.00 0.00 N ATOM 0 H LYS A 97 11.297 16.242 1.230 1.00 0.00 H new ATOM 0 HA LYS A 97 12.872 17.636 0.466 1.00 0.00 H new ATOM 0 HB2 LYS A 97 13.615 15.283 -1.318 1.00 0.00 H new ATOM 0 HB3 LYS A 97 14.701 16.478 -0.637 1.00 0.00 H new ATOM 0 HG2 LYS A 97 13.183 14.328 0.877 1.00 0.00 H new ATOM 0 HG3 LYS A 97 14.911 14.398 0.597 1.00 0.00 H new ATOM 0 HD2 LYS A 97 13.365 16.516 2.144 1.00 0.00 H new ATOM 0 HD3 LYS A 97 14.170 15.155 2.901 1.00 0.00 H new ATOM 0 HE2 LYS A 97 15.839 16.736 1.005 1.00 0.00 H new ATOM 0 HE3 LYS A 97 15.346 17.583 2.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 17.447 16.448 2.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 16.266 15.774 3.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 16.744 14.953 2.384 1.00 0.00 H new ATOM 1354 N ARG A 98 11.079 17.929 -1.844 1.00 0.00 N ATOM 1355 CA ARG A 98 10.704 18.614 -3.072 1.00 0.00 C ATOM 1356 C ARG A 98 9.250 19.078 -3.029 1.00 0.00 C ATOM 1357 O ARG A 98 8.906 20.125 -3.577 1.00 0.00 O ATOM 1358 CB ARG A 98 10.936 17.693 -4.269 1.00 0.00 C ATOM 1359 CG ARG A 98 9.974 16.515 -4.340 1.00 0.00 C ATOM 1360 CD ARG A 98 10.713 15.192 -4.473 1.00 0.00 C ATOM 1361 NE ARG A 98 11.067 14.898 -5.859 1.00 0.00 N ATOM 1362 CZ ARG A 98 11.399 13.685 -6.298 1.00 0.00 C ATOM 1363 NH1 ARG A 98 11.426 12.654 -5.464 1.00 0.00 N ATOM 1364 NH2 ARG A 98 11.705 13.504 -7.574 1.00 0.00 N ATOM 0 H ARG A 98 10.302 17.739 -1.211 1.00 0.00 H new ATOM 0 HA ARG A 98 11.329 19.501 -3.174 1.00 0.00 H new ATOM 0 HB2 ARG A 98 10.848 18.276 -5.186 1.00 0.00 H new ATOM 0 HB3 ARG A 98 11.957 17.313 -4.230 1.00 0.00 H new ATOM 0 HG2 ARG A 98 9.354 16.497 -3.444 1.00 0.00 H new ATOM 0 HG3 ARG A 98 9.303 16.644 -5.189 1.00 0.00 H new ATOM 0 HD2 ARG A 98 11.618 15.220 -3.866 1.00 0.00 H new ATOM 0 HD3 ARG A 98 10.090 14.388 -4.080 1.00 0.00 H new ATOM 0 HE ARG A 98 11.060 15.666 -6.530 1.00 0.00 H new ATOM 0 HH11 ARG A 98 11.192 12.788 -4.480 1.00 0.00 H new ATOM 0 HH12 ARG A 98 11.681 11.728 -5.806 1.00 0.00 H new ATOM 0 HH21 ARG A 98 11.686 14.293 -8.220 1.00 0.00 H new ATOM 0 HH22 ARG A 98 11.959 12.575 -7.911 1.00 0.00 H new ATOM 1378 N GLY A 99 8.404 18.291 -2.378 1.00 0.00 N ATOM 1379 CA GLY A 99 6.997 18.627 -2.275 1.00 0.00 C ATOM 1380 C GLY A 99 6.108 17.530 -2.825 1.00 0.00 C ATOM 1381 O GLY A 99 4.941 17.767 -3.138 1.00 0.00 O ATOM 0 H GLY A 99 8.669 17.421 -1.917 1.00 0.00 H new ATOM 0 HA2 GLY A 99 6.744 18.809 -1.231 1.00 0.00 H new ATOM 0 HA3 GLY A 99 6.805 19.554 -2.816 1.00 0.00 H new ATOM 1385 N MET A 100 6.664 16.327 -2.951 1.00 0.00 N ATOM 1386 CA MET A 100 5.928 15.191 -3.472 1.00 0.00 C ATOM 1387 C MET A 100 6.776 13.923 -3.441 1.00 0.00 C ATOM 1388 O MET A 100 8.002 13.988 -3.381 1.00 0.00 O ATOM 1389 CB MET A 100 5.485 15.480 -4.900 1.00 0.00 C ATOM 1390 CG MET A 100 6.617 15.422 -5.914 1.00 0.00 C ATOM 1391 SD MET A 100 6.049 15.676 -7.606 1.00 0.00 S ATOM 1392 CE MET A 100 4.564 14.676 -7.609 1.00 0.00 C ATOM 0 H MET A 100 7.629 16.119 -2.696 1.00 0.00 H new ATOM 0 HA MET A 100 5.054 15.030 -2.840 1.00 0.00 H new ATOM 0 HB2 MET A 100 4.716 14.762 -5.185 1.00 0.00 H new ATOM 0 HB3 MET A 100 5.027 16.468 -4.936 1.00 0.00 H new ATOM 0 HG2 MET A 100 7.360 16.180 -5.667 1.00 0.00 H new ATOM 0 HG3 MET A 100 7.114 14.454 -5.843 1.00 0.00 H new ATOM 0 HE1 MET A 100 4.270 14.464 -8.637 1.00 0.00 H new ATOM 0 HE2 MET A 100 4.755 13.739 -7.085 1.00 0.00 H new ATOM 0 HE3 MET A 100 3.761 15.215 -7.106 1.00 0.00 H new ATOM 1402 N ILE A 101 6.110 12.774 -3.493 1.00 0.00 N ATOM 1403 CA ILE A 101 6.799 11.486 -3.479 1.00 0.00 C ATOM 1404 C ILE A 101 6.047 10.463 -4.328 1.00 0.00 C ATOM 1405 O ILE A 101 4.817 10.470 -4.384 1.00 0.00 O ATOM 1406 CB ILE A 101 6.987 10.953 -2.030 1.00 0.00 C ATOM 1407 CG1 ILE A 101 6.376 9.559 -1.857 1.00 0.00 C ATOM 1408 CG2 ILE A 101 6.386 11.918 -1.018 1.00 0.00 C ATOM 1409 CD1 ILE A 101 6.563 8.992 -0.469 1.00 0.00 C ATOM 0 H ILE A 101 5.094 12.707 -3.545 1.00 0.00 H new ATOM 0 HA ILE A 101 7.789 11.639 -3.909 1.00 0.00 H new ATOM 0 HB ILE A 101 8.059 10.875 -1.850 1.00 0.00 H new ATOM 0 HG12 ILE A 101 5.311 9.607 -2.082 1.00 0.00 H new ATOM 0 HG13 ILE A 101 6.825 8.881 -2.583 1.00 0.00 H new ATOM 0 HG21 ILE A 101 6.529 11.525 -0.011 1.00 0.00 H new ATOM 0 HG22 ILE A 101 6.878 12.887 -1.103 1.00 0.00 H new ATOM 0 HG23 ILE A 101 5.320 12.034 -1.214 1.00 0.00 H new ATOM 0 HD11 ILE A 101 6.107 8.003 -0.415 1.00 0.00 H new ATOM 0 HD12 ILE A 101 7.628 8.913 -0.249 1.00 0.00 H new ATOM 0 HD13 ILE A 101 6.090 9.650 0.260 1.00 0.00 H new ATOM 1421 N GLN A 102 6.795 9.585 -4.989 1.00 0.00 N ATOM 1422 CA GLN A 102 6.199 8.558 -5.835 1.00 0.00 C ATOM 1423 C GLN A 102 6.041 7.249 -5.067 1.00 0.00 C ATOM 1424 O GLN A 102 6.888 6.894 -4.248 1.00 0.00 O ATOM 1425 CB GLN A 102 7.058 8.331 -7.080 1.00 0.00 C ATOM 1426 CG GLN A 102 6.429 7.387 -8.092 1.00 0.00 C ATOM 1427 CD GLN A 102 7.462 6.665 -8.936 1.00 0.00 C ATOM 1428 OE1 GLN A 102 7.432 6.909 -10.241 1.00 0.00 O flip ATOM 1429 NE2 GLN A 102 8.275 5.899 -8.421 1.00 0.00 N flip ATOM 0 H GLN A 102 7.814 9.564 -4.955 1.00 0.00 H new ATOM 0 HA GLN A 102 5.211 8.902 -6.142 1.00 0.00 H new ATOM 0 HB2 GLN A 102 7.247 9.291 -7.560 1.00 0.00 H new ATOM 0 HB3 GLN A 102 8.025 7.931 -6.775 1.00 0.00 H new ATOM 0 HG2 GLN A 102 5.817 6.653 -7.568 1.00 0.00 H new ATOM 0 HG3 GLN A 102 5.762 7.951 -8.744 1.00 0.00 H new ATOM 0 HE21 GLN A 102 8.260 5.742 -7.413 1.00 0.00 H new ATOM 0 HE22 GLN A 102 8.964 5.421 -9.002 1.00 0.00 H new ATOM 1438 N LEU A 103 4.952 6.536 -5.336 1.00 0.00 N ATOM 1439 CA LEU A 103 4.689 5.268 -4.663 1.00 0.00 C ATOM 1440 C LEU A 103 4.019 4.273 -5.604 1.00 0.00 C ATOM 1441 O LEU A 103 2.882 4.473 -6.031 1.00 0.00 O ATOM 1442 CB LEU A 103 3.805 5.491 -3.434 1.00 0.00 C ATOM 1443 CG LEU A 103 4.449 6.309 -2.311 1.00 0.00 C ATOM 1444 CD1 LEU A 103 3.779 7.670 -2.189 1.00 0.00 C ATOM 1445 CD2 LEU A 103 4.375 5.557 -0.991 1.00 0.00 C ATOM 0 H LEU A 103 4.240 6.813 -6.012 1.00 0.00 H new ATOM 0 HA LEU A 103 5.647 4.854 -4.348 1.00 0.00 H new ATOM 0 HB2 LEU A 103 2.890 5.993 -3.750 1.00 0.00 H new ATOM 0 HB3 LEU A 103 3.514 4.520 -3.034 1.00 0.00 H new ATOM 0 HG LEU A 103 5.499 6.464 -2.559 1.00 0.00 H new ATOM 0 HD11 LEU A 103 4.250 8.237 -1.386 1.00 0.00 H new ATOM 0 HD12 LEU A 103 3.886 8.214 -3.128 1.00 0.00 H new ATOM 0 HD13 LEU A 103 2.721 7.536 -1.966 1.00 0.00 H new ATOM 0 HD21 LEU A 103 4.838 6.154 -0.205 1.00 0.00 H new ATOM 0 HD22 LEU A 103 3.332 5.369 -0.737 1.00 0.00 H new ATOM 0 HD23 LEU A 103 4.902 4.608 -1.083 1.00 0.00 H new ATOM 1457 N ILE A 104 4.728 3.192 -5.914 1.00 0.00 N ATOM 1458 CA ILE A 104 4.196 2.157 -6.792 1.00 0.00 C ATOM 1459 C ILE A 104 3.315 1.196 -6.010 1.00 0.00 C ATOM 1460 O ILE A 104 3.601 0.871 -4.857 1.00 0.00 O ATOM 1461 CB ILE A 104 5.321 1.366 -7.488 1.00 0.00 C ATOM 1462 CG1 ILE A 104 6.184 2.303 -8.329 1.00 0.00 C ATOM 1463 CG2 ILE A 104 4.740 0.257 -8.357 1.00 0.00 C ATOM 1464 CD1 ILE A 104 5.395 3.127 -9.324 1.00 0.00 C ATOM 0 H ILE A 104 5.671 3.011 -5.570 1.00 0.00 H new ATOM 0 HA ILE A 104 3.603 2.658 -7.557 1.00 0.00 H new ATOM 0 HB ILE A 104 5.946 0.909 -6.721 1.00 0.00 H new ATOM 0 HG12 ILE A 104 6.729 2.975 -7.665 1.00 0.00 H new ATOM 0 HG13 ILE A 104 6.927 1.714 -8.867 1.00 0.00 H new ATOM 0 HG21 ILE A 104 5.550 -0.289 -8.840 1.00 0.00 H new ATOM 0 HG22 ILE A 104 4.161 -0.426 -7.736 1.00 0.00 H new ATOM 0 HG23 ILE A 104 4.093 0.693 -9.118 1.00 0.00 H new ATOM 0 HD11 ILE A 104 6.075 3.769 -9.885 1.00 0.00 H new ATOM 0 HD12 ILE A 104 4.871 2.463 -10.012 1.00 0.00 H new ATOM 0 HD13 ILE A 104 4.670 3.743 -8.792 1.00 0.00 H new ATOM 1476 N VAL A 105 2.238 0.749 -6.639 1.00 0.00 N ATOM 1477 CA VAL A 105 1.312 -0.170 -5.993 1.00 0.00 C ATOM 1478 C VAL A 105 0.792 -1.225 -6.963 1.00 0.00 C ATOM 1479 O VAL A 105 1.110 -1.209 -8.151 1.00 0.00 O ATOM 1480 CB VAL A 105 0.111 0.580 -5.386 1.00 0.00 C ATOM 1481 CG1 VAL A 105 0.572 1.525 -4.286 1.00 0.00 C ATOM 1482 CG2 VAL A 105 -0.648 1.336 -6.466 1.00 0.00 C ATOM 0 H VAL A 105 1.984 1.006 -7.593 1.00 0.00 H new ATOM 0 HA VAL A 105 1.873 -0.663 -5.199 1.00 0.00 H new ATOM 0 HB VAL A 105 -0.565 -0.152 -4.944 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -0.290 2.046 -3.869 1.00 0.00 H new ATOM 0 HG12 VAL A 105 1.066 0.954 -3.500 1.00 0.00 H new ATOM 0 HG13 VAL A 105 1.270 2.252 -4.700 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -1.493 1.860 -6.018 1.00 0.00 H new ATOM 0 HG22 VAL A 105 0.017 2.058 -6.940 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -1.013 0.633 -7.215 1.00 0.00 H new ATOM 1492 N ALA A 106 -0.019 -2.139 -6.439 1.00 0.00 N ATOM 1493 CA ALA A 106 -0.604 -3.206 -7.241 1.00 0.00 C ATOM 1494 C ALA A 106 -2.009 -3.533 -6.749 1.00 0.00 C ATOM 1495 O ALA A 106 -2.241 -3.662 -5.547 1.00 0.00 O ATOM 1496 CB ALA A 106 0.278 -4.445 -7.198 1.00 0.00 C ATOM 0 H ALA A 106 -0.287 -2.161 -5.455 1.00 0.00 H new ATOM 0 HA ALA A 106 -0.672 -2.866 -8.274 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -0.172 -5.233 -7.802 1.00 0.00 H new ATOM 0 HB2 ALA A 106 1.264 -4.203 -7.594 1.00 0.00 H new ATOM 0 HB3 ALA A 106 0.374 -4.787 -6.168 1.00 0.00 H new ATOM 1502 N ARG A 107 -2.949 -3.660 -7.682 1.00 0.00 N ATOM 1503 CA ARG A 107 -4.331 -3.965 -7.328 1.00 0.00 C ATOM 1504 C ARG A 107 -4.910 -5.035 -8.247 1.00 0.00 C ATOM 1505 O ARG A 107 -4.499 -5.169 -9.399 1.00 0.00 O ATOM 1506 CB ARG A 107 -5.187 -2.699 -7.397 1.00 0.00 C ATOM 1507 CG ARG A 107 -4.948 -1.870 -8.650 1.00 0.00 C ATOM 1508 CD ARG A 107 -6.128 -0.959 -8.948 1.00 0.00 C ATOM 1509 NE ARG A 107 -6.135 0.226 -8.093 1.00 0.00 N ATOM 1510 CZ ARG A 107 -6.904 1.291 -8.310 1.00 0.00 C ATOM 1511 NH1 ARG A 107 -7.728 1.323 -9.349 1.00 0.00 N ATOM 1512 NH2 ARG A 107 -6.848 2.327 -7.483 1.00 0.00 N ATOM 0 H ARG A 107 -2.780 -3.557 -8.683 1.00 0.00 H new ATOM 0 HA ARG A 107 -4.340 -4.349 -6.308 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -6.239 -2.979 -7.352 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -4.983 -2.084 -6.520 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -4.046 -1.270 -8.524 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -4.775 -2.532 -9.498 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -6.094 -0.652 -9.993 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -7.057 -1.512 -8.809 1.00 0.00 H new ATOM 0 HE ARG A 107 -5.515 0.238 -7.283 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -7.775 0.529 -9.987 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -8.315 2.142 -9.510 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -6.216 2.307 -6.682 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -7.436 3.144 -7.648 1.00 0.00 H new ATOM 1526 N ARG A 108 -5.871 -5.792 -7.725 1.00 0.00 N ATOM 1527 CA ARG A 108 -6.513 -6.850 -8.493 1.00 0.00 C ATOM 1528 C ARG A 108 -7.704 -6.303 -9.275 1.00 0.00 C ATOM 1529 O ARG A 108 -8.349 -5.346 -8.848 1.00 0.00 O ATOM 1530 CB ARG A 108 -6.972 -7.975 -7.564 1.00 0.00 C ATOM 1531 CG ARG A 108 -7.161 -9.308 -8.271 1.00 0.00 C ATOM 1532 CD ARG A 108 -5.833 -10.022 -8.482 1.00 0.00 C ATOM 1533 NE ARG A 108 -5.695 -11.187 -7.614 1.00 0.00 N ATOM 1534 CZ ARG A 108 -6.320 -12.344 -7.819 1.00 0.00 C ATOM 1535 NH1 ARG A 108 -7.126 -12.493 -8.862 1.00 0.00 N ATOM 1536 NH2 ARG A 108 -6.134 -13.354 -6.981 1.00 0.00 N ATOM 0 H ARG A 108 -6.221 -5.691 -6.772 1.00 0.00 H new ATOM 0 HA ARG A 108 -5.785 -7.247 -9.201 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -6.240 -8.097 -6.765 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -7.912 -7.686 -7.094 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -7.826 -9.941 -7.684 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -7.644 -9.145 -9.234 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -5.750 -10.334 -9.523 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -5.014 -9.328 -8.291 1.00 0.00 H new ATOM 0 HE ARG A 108 -5.083 -11.110 -6.802 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -7.269 -11.719 -9.511 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -7.603 -13.382 -9.015 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -5.512 -13.244 -6.180 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -6.613 -14.241 -7.137 1.00 0.00 H new ATOM 1550 N ILE A 109 -7.989 -6.911 -10.422 1.00 0.00 N ATOM 1551 CA ILE A 109 -9.103 -6.475 -11.257 1.00 0.00 C ATOM 1552 C ILE A 109 -10.299 -7.407 -11.114 1.00 0.00 C ATOM 1553 O ILE A 109 -10.161 -8.551 -10.685 1.00 0.00 O ATOM 1554 CB ILE A 109 -8.702 -6.399 -12.744 1.00 0.00 C ATOM 1555 CG1 ILE A 109 -7.321 -5.755 -12.890 1.00 0.00 C ATOM 1556 CG2 ILE A 109 -9.748 -5.621 -13.529 1.00 0.00 C ATOM 1557 CD1 ILE A 109 -6.862 -5.619 -14.326 1.00 0.00 C ATOM 0 H ILE A 109 -7.466 -7.704 -10.794 1.00 0.00 H new ATOM 0 HA ILE A 109 -9.379 -5.478 -10.912 1.00 0.00 H new ATOM 0 HB ILE A 109 -8.650 -7.410 -13.148 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -7.340 -4.768 -12.429 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -6.592 -6.350 -12.340 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -9.455 -5.573 -14.578 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -10.713 -6.121 -13.444 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -9.827 -4.610 -13.128 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -5.876 -5.155 -14.350 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -6.810 -6.606 -14.786 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -7.569 -4.999 -14.877 1.00 0.00 H new ATOM 1569 N SER A 110 -11.477 -6.906 -11.478 1.00 0.00 N ATOM 1570 CA SER A 110 -12.701 -7.693 -11.391 1.00 0.00 C ATOM 1571 C SER A 110 -13.439 -7.701 -12.727 1.00 0.00 C ATOM 1572 O SER A 110 -14.667 -7.622 -12.769 1.00 0.00 O ATOM 1573 CB SER A 110 -13.611 -7.137 -10.295 1.00 0.00 C ATOM 1574 OG SER A 110 -14.110 -5.859 -10.644 1.00 0.00 O ATOM 0 H SER A 110 -11.608 -5.960 -11.835 1.00 0.00 H new ATOM 0 HA SER A 110 -12.428 -8.718 -11.142 1.00 0.00 H new ATOM 0 HB2 SER A 110 -14.442 -7.822 -10.127 1.00 0.00 H new ATOM 0 HB3 SER A 110 -13.058 -7.071 -9.358 1.00 0.00 H new ATOM 0 HG SER A 110 -14.690 -5.527 -9.927 1.00 0.00 H new TER 1580 SER A 110