USER MOD reduce.3.24.130724 H: found=0, std=0, add=971, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 970 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 25 TYR OH : rot 10:sc= 0.23 USER MOD Set 1.2: A 47 HIS : no HE2:sc= -2.34! C(o=-1.4!,f=-8.8!) USER MOD Set 1.3: A 79 THR OG1 : rot 85:sc= 0.728 USER MOD Set 2.1: A 44 THR OG1 : rot -174:sc= 0.968 USER MOD Set 2.2: A 80 THR OG1 : rot -72:sc= 0.00456 USER MOD Set 3.1: A 30 MET CE :methyl 169:sc= -0.722 (180deg=-1.09) USER MOD Set 3.2: A 36 THR OG1 : rot -35:sc= 0.727 USER MOD Set 3.3: A 94 TYR OH : rot 6:sc= 0.108 USER MOD Set 4.1: A 13 HIS : no HE2:sc= -1.21 X(o=-1.4,f=-1.2) USER MOD Set 4.2: A 43 ASN : amide:sc= 0.585 K(o=-1.4,f=-3.2!) USER MOD Set 4.3: A 117 GLN : amide:sc= -0.769 X(o=-1.4,f=-1.2) USER MOD Set 5.1: A 7 THR OG1 : rot 180:sc= 0 USER MOD Set 5.2: A 8 HIS : no HD1:sc= -0.904 K(o=-0.9,f=-0.35) USER MOD Set 6.1: A 6 TYR OH : rot 180:sc=-0.00361 USER MOD Set 6.2: A 54 LYS NZ :NH3+ -133:sc= 0.135 (180deg=-0.0216) USER MOD Single : A 1 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 GLN N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= -0.0733 K(o=-0.073,f=-2!) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 63:sc= 1.13 USER MOD Single : A 12 GLN : amide:sc= -0.257 X(o=-0.26,f=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 173:sc=-0.00309 (180deg=-0.0679) USER MOD Single : A 19 GLN : amide:sc= -0.164 X(o=-0.16,f=-0.16) USER MOD Single : A 28 SER OG : rot 90:sc= 0.315 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= -0.0956 K(o=-0.096,f=-1.6) USER MOD Single : A 50 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0264) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -0.262 X(o=-0.26,f=-0.016) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -0.827 K(o=-0.83,f=-2.4!) USER MOD Single : A 63 ASN : amide:sc= -0.836 K(o=-0.84,f=-0.18) USER MOD Single : A 65 HIS : no HD1:sc= -0.112 X(o=-0.11,f=0) USER MOD Single : A 68 ASN : amide:sc= -0.0554 X(o=-0.055,f=-0.1) USER MOD Single : A 72 SER OG : rot 170:sc= 0.123 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 HIS : no HD1:sc= -2.5 K(o=-2.5,f=-0.76) USER MOD Single : A 87 SER OG : rot 77:sc= 0.208 USER MOD Single : A 93 GLN : amide:sc= -0.0265 X(o=-0.026,f=0) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= -0.55 K(o=-0.55,f=-1.5!) USER MOD Single : A 109 ASN : amide:sc= -0.0982 X(o=-0.098,f=0.015) USER MOD Single : A 114 HIS : no HE2:sc= -2.36! X(o=-2.4!,f=-2.5) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 5.890 -4.336 -2.908 1.00 0.00 N ATOM 2 CA GLN A 1 6.116 -4.392 -1.446 1.00 0.00 C ATOM 3 C GLN A 1 4.864 -4.005 -0.735 1.00 0.00 C ATOM 4 O GLN A 1 4.359 -2.897 -0.921 1.00 0.00 O ATOM 5 CB GLN A 1 7.249 -3.417 -1.059 1.00 0.00 C ATOM 6 CG GLN A 1 7.615 -3.448 0.430 1.00 0.00 C ATOM 7 CD GLN A 1 8.876 -2.612 0.640 1.00 0.00 C ATOM 8 OE1 GLN A 1 8.924 -1.424 0.302 1.00 0.00 O ATOM 9 NE2 GLN A 1 9.920 -3.274 1.227 1.00 0.00 N ATOM 0 H1 GLN A 1 6.763 -4.606 -3.405 1.00 0.00 H new ATOM 0 H2 GLN A 1 5.127 -4.994 -3.167 1.00 0.00 H new ATOM 0 H3 GLN A 1 5.621 -3.369 -3.181 1.00 0.00 H new ATOM 0 HA GLN A 1 6.398 -5.406 -1.162 1.00 0.00 H new ATOM 0 HB2 GLN A 1 8.136 -3.655 -1.646 1.00 0.00 H new ATOM 0 HB3 GLN A 1 6.951 -2.404 -1.329 1.00 0.00 H new ATOM 0 HG2 GLN A 1 6.795 -3.053 1.029 1.00 0.00 H new ATOM 0 HG3 GLN A 1 7.783 -4.474 0.757 1.00 0.00 H new ATOM 0 HE21 GLN A 1 9.821 -4.256 1.484 1.00 0.00 H new ATOM 0 HE22 GLN A 1 10.797 -2.785 1.407 1.00 0.00 H new ATOM 20 N ASP A 2 4.348 -4.925 0.114 1.00 0.00 N ATOM 21 CA ASP A 2 3.201 -4.653 0.937 1.00 0.00 C ATOM 22 C ASP A 2 3.620 -4.815 2.348 1.00 0.00 C ATOM 23 O ASP A 2 2.908 -5.368 3.184 1.00 0.00 O ATOM 24 CB ASP A 2 2.022 -5.607 0.708 1.00 0.00 C ATOM 25 CG ASP A 2 1.631 -5.598 -0.762 1.00 0.00 C ATOM 26 OD1 ASP A 2 1.277 -4.505 -1.278 1.00 0.00 O ATOM 27 OD2 ASP A 2 1.682 -6.688 -1.390 1.00 0.00 O ATOM 0 H ASP A 2 4.730 -5.864 0.229 1.00 0.00 H new ATOM 0 HA ASP A 2 2.861 -3.649 0.685 1.00 0.00 H new ATOM 0 HB2 ASP A 2 2.294 -6.617 1.015 1.00 0.00 H new ATOM 0 HB3 ASP A 2 1.173 -5.305 1.322 1.00 0.00 H new ATOM 32 N ASN A 3 4.813 -4.271 2.611 1.00 0.00 N ATOM 33 CA ASN A 3 5.389 -4.162 3.915 1.00 0.00 C ATOM 34 C ASN A 3 5.351 -2.697 4.204 1.00 0.00 C ATOM 35 O ASN A 3 5.702 -2.249 5.292 1.00 0.00 O ATOM 36 CB ASN A 3 6.841 -4.681 3.969 1.00 0.00 C ATOM 37 CG ASN A 3 7.355 -4.716 5.410 1.00 0.00 C ATOM 38 OD1 ASN A 3 6.761 -5.349 6.292 1.00 0.00 O ATOM 39 ND2 ASN A 3 8.504 -4.010 5.636 1.00 0.00 N ATOM 0 H ASN A 3 5.410 -3.886 1.879 1.00 0.00 H new ATOM 0 HA ASN A 3 4.844 -4.765 4.641 1.00 0.00 H new ATOM 0 HB2 ASN A 3 6.891 -5.680 3.537 1.00 0.00 H new ATOM 0 HB3 ASN A 3 7.483 -4.040 3.365 1.00 0.00 H new ATOM 0 HD21 ASN A 3 8.913 -3.987 6.570 1.00 0.00 H new ATOM 0 HD22 ASN A 3 8.952 -3.506 4.871 1.00 0.00 H new ATOM 46 N SER A 4 4.906 -1.907 3.207 1.00 0.00 N ATOM 47 CA SER A 4 4.732 -0.495 3.373 1.00 0.00 C ATOM 48 C SER A 4 3.343 -0.259 3.850 1.00 0.00 C ATOM 49 O SER A 4 3.082 0.738 4.516 1.00 0.00 O ATOM 50 CB SER A 4 4.917 0.289 2.066 1.00 0.00 C ATOM 51 OG SER A 4 6.219 0.067 1.547 1.00 0.00 O ATOM 0 H SER A 4 4.665 -2.251 2.278 1.00 0.00 H new ATOM 0 HA SER A 4 5.487 -0.149 4.079 1.00 0.00 H new ATOM 0 HB2 SER A 4 4.168 -0.021 1.337 1.00 0.00 H new ATOM 0 HB3 SER A 4 4.765 1.353 2.246 1.00 0.00 H new ATOM 0 HG SER A 4 6.329 0.569 0.713 1.00 0.00 H new ATOM 57 N ARG A 5 2.415 -1.179 3.508 1.00 0.00 N ATOM 58 CA ARG A 5 1.037 -1.077 3.880 1.00 0.00 C ATOM 59 C ARG A 5 0.897 -1.335 5.346 1.00 0.00 C ATOM 60 O ARG A 5 0.153 -0.621 6.021 1.00 0.00 O ATOM 61 CB ARG A 5 0.161 -2.076 3.111 1.00 0.00 C ATOM 62 CG ARG A 5 0.057 -1.725 1.621 1.00 0.00 C ATOM 63 CD ARG A 5 -0.740 -2.740 0.798 1.00 0.00 C ATOM 64 NE ARG A 5 -2.125 -2.832 1.338 1.00 0.00 N ATOM 65 CZ ARG A 5 -3.072 -3.557 0.673 1.00 0.00 C ATOM 66 NH1 ARG A 5 -2.762 -4.179 -0.503 1.00 0.00 N ATOM 67 NH2 ARG A 5 -4.330 -3.670 1.187 1.00 0.00 N ATOM 0 H ARG A 5 2.631 -2.012 2.960 1.00 0.00 H new ATOM 0 HA ARG A 5 0.701 -0.070 3.633 1.00 0.00 H new ATOM 0 HB2 ARG A 5 0.575 -3.078 3.219 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -0.837 -2.095 3.549 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -0.409 -0.745 1.521 1.00 0.00 H new ATOM 0 HG3 ARG A 5 1.062 -1.644 1.206 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -0.765 -2.437 -0.249 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -0.257 -3.716 0.836 1.00 0.00 H new ATOM 0 HE ARG A 5 -2.366 -2.353 2.206 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -1.820 -4.103 -0.887 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -3.472 -4.720 -0.997 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -4.564 -3.213 2.068 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -5.037 -4.212 0.690 1.00 0.00 H new ATOM 81 N TYR A 6 1.634 -2.347 5.861 1.00 0.00 N ATOM 82 CA TYR A 6 1.827 -2.619 7.219 1.00 0.00 C ATOM 83 C TYR A 6 2.361 -1.472 7.993 1.00 0.00 C ATOM 84 O TYR A 6 1.747 -1.098 8.986 1.00 0.00 O ATOM 85 CB TYR A 6 2.882 -3.700 7.212 1.00 0.00 C ATOM 86 CG TYR A 6 3.247 -4.058 8.576 1.00 0.00 C ATOM 87 CD1 TYR A 6 2.274 -4.566 9.381 1.00 0.00 C ATOM 88 CD2 TYR A 6 4.542 -3.984 9.012 1.00 0.00 C ATOM 89 CE1 TYR A 6 2.594 -5.111 10.591 1.00 0.00 C ATOM 90 CE2 TYR A 6 4.867 -4.461 10.259 1.00 0.00 C ATOM 91 CZ TYR A 6 3.896 -5.046 11.049 1.00 0.00 C ATOM 92 OH TYR A 6 4.234 -5.562 12.313 1.00 0.00 O ATOM 0 H TYR A 6 2.122 -3.012 5.261 1.00 0.00 H new ATOM 0 HA TYR A 6 0.878 -2.879 7.687 1.00 0.00 H new ATOM 0 HB2 TYR A 6 2.509 -4.578 6.686 1.00 0.00 H new ATOM 0 HB3 TYR A 6 3.763 -3.354 6.671 1.00 0.00 H new ATOM 0 HD1 TYR A 6 1.243 -4.538 9.061 1.00 0.00 H new ATOM 0 HD2 TYR A 6 5.304 -3.553 8.380 1.00 0.00 H new ATOM 0 HE1 TYR A 6 1.833 -5.591 11.188 1.00 0.00 H new ATOM 0 HE2 TYR A 6 5.881 -4.379 10.621 1.00 0.00 H new ATOM 0 HH TYR A 6 5.192 -5.433 12.473 1.00 0.00 H new ATOM 102 N THR A 7 3.526 -0.910 7.601 1.00 0.00 N ATOM 103 CA THR A 7 4.121 0.125 8.373 1.00 0.00 C ATOM 104 C THR A 7 3.517 1.483 8.196 1.00 0.00 C ATOM 105 O THR A 7 3.904 2.382 8.929 1.00 0.00 O ATOM 106 CB THR A 7 5.602 0.275 8.206 1.00 0.00 C ATOM 107 OG1 THR A 7 5.910 0.880 6.958 1.00 0.00 O ATOM 108 CG2 THR A 7 6.347 -1.056 8.354 1.00 0.00 C ATOM 0 H THR A 7 4.042 -1.173 6.762 1.00 0.00 H new ATOM 0 HA THR A 7 3.904 -0.238 9.378 1.00 0.00 H new ATOM 0 HB THR A 7 5.945 0.926 9.010 1.00 0.00 H new ATOM 0 HG1 THR A 7 6.882 0.970 6.869 1.00 0.00 H new ATOM 0 HG21 THR A 7 7.417 -0.891 8.224 1.00 0.00 H new ATOM 0 HG22 THR A 7 6.161 -1.468 9.346 1.00 0.00 H new ATOM 0 HG23 THR A 7 5.994 -1.757 7.598 1.00 0.00 H new ATOM 116 N HIS A 8 2.563 1.695 7.262 1.00 0.00 N ATOM 117 CA HIS A 8 1.860 2.951 7.202 1.00 0.00 C ATOM 118 C HIS A 8 0.696 2.889 8.141 1.00 0.00 C ATOM 119 O HIS A 8 0.377 3.877 8.808 1.00 0.00 O ATOM 120 CB HIS A 8 1.388 3.332 5.795 1.00 0.00 C ATOM 121 CG HIS A 8 2.554 3.604 4.885 1.00 0.00 C ATOM 122 ND1 HIS A 8 2.393 4.075 3.612 1.00 0.00 N ATOM 123 CD2 HIS A 8 3.885 3.432 5.082 1.00 0.00 C ATOM 124 CE1 HIS A 8 3.591 4.188 3.053 1.00 0.00 C ATOM 125 NE2 HIS A 8 4.514 3.801 3.924 1.00 0.00 N ATOM 0 H HIS A 8 2.281 1.011 6.560 1.00 0.00 H new ATOM 0 HA HIS A 8 2.562 3.732 7.495 1.00 0.00 H new ATOM 0 HB2 HIS A 8 0.781 2.526 5.382 1.00 0.00 H new ATOM 0 HB3 HIS A 8 0.752 4.215 5.849 1.00 0.00 H new ATOM 0 HD2 HIS A 8 4.359 3.072 5.983 1.00 0.00 H new ATOM 0 HE1 HIS A 8 3.784 4.539 2.050 1.00 0.00 H new ATOM 0 HE2 HIS A 8 5.520 3.782 3.759 1.00 0.00 H new ATOM 134 N PHE A 9 0.088 1.681 8.232 1.00 0.00 N ATOM 135 CA PHE A 9 -0.881 1.326 9.242 1.00 0.00 C ATOM 136 C PHE A 9 -0.264 1.471 10.595 1.00 0.00 C ATOM 137 O PHE A 9 -0.920 1.964 11.501 1.00 0.00 O ATOM 138 CB PHE A 9 -1.435 -0.116 9.062 1.00 0.00 C ATOM 139 CG PHE A 9 -1.864 -0.826 10.323 1.00 0.00 C ATOM 140 CD1 PHE A 9 -2.935 -0.386 11.090 1.00 0.00 C ATOM 141 CD2 PHE A 9 -1.244 -2.017 10.684 1.00 0.00 C ATOM 142 CE1 PHE A 9 -3.340 -1.097 12.203 1.00 0.00 C ATOM 143 CE2 PHE A 9 -1.686 -2.747 11.772 1.00 0.00 C ATOM 144 CZ PHE A 9 -2.734 -2.282 12.537 1.00 0.00 C ATOM 0 H PHE A 9 0.278 0.922 7.577 1.00 0.00 H new ATOM 0 HA PHE A 9 -1.727 2.005 9.137 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -2.288 -0.073 8.385 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -0.670 -0.719 8.573 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -3.455 0.519 10.814 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -0.405 -2.377 10.106 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -4.143 -0.716 12.817 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -1.209 -3.683 12.023 1.00 0.00 H new ATOM 0 HZ PHE A 9 -3.076 -2.846 13.393 1.00 0.00 H new ATOM 154 N LEU A 10 1.003 1.051 10.766 1.00 0.00 N ATOM 155 CA LEU A 10 1.647 1.027 12.040 1.00 0.00 C ATOM 156 C LEU A 10 2.506 2.261 12.243 1.00 0.00 C ATOM 157 O LEU A 10 3.106 2.431 13.298 1.00 0.00 O ATOM 158 CB LEU A 10 2.174 -0.389 12.347 1.00 0.00 C ATOM 159 CG LEU A 10 3.564 -0.927 11.969 1.00 0.00 C ATOM 160 CD1 LEU A 10 4.796 -0.026 12.099 1.00 0.00 C ATOM 161 CD2 LEU A 10 3.793 -2.105 12.909 1.00 0.00 C ATOM 0 H LEU A 10 1.592 0.721 10.001 1.00 0.00 H new ATOM 0 HA LEU A 10 0.963 1.159 12.878 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.094 -0.507 13.428 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.458 -1.076 11.897 1.00 0.00 H new ATOM 0 HG LEU A 10 3.507 -1.114 10.897 1.00 0.00 H new ATOM 0 HD11 LEU A 10 5.684 -0.576 11.788 1.00 0.00 H new ATOM 0 HD12 LEU A 10 4.673 0.852 11.465 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.909 0.288 13.137 1.00 0.00 H new ATOM 0 HD21 LEU A 10 4.767 -2.549 12.705 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.761 -1.758 13.942 1.00 0.00 H new ATOM 0 HD23 LEU A 10 3.014 -2.852 12.753 1.00 0.00 H new ATOM 173 N THR A 11 2.565 3.190 11.260 1.00 0.00 N ATOM 174 CA THR A 11 3.028 4.529 11.537 1.00 0.00 C ATOM 175 C THR A 11 1.942 5.147 12.336 1.00 0.00 C ATOM 176 O THR A 11 2.189 5.647 13.431 1.00 0.00 O ATOM 177 CB THR A 11 3.341 5.397 10.328 1.00 0.00 C ATOM 178 OG1 THR A 11 4.555 4.958 9.742 1.00 0.00 O ATOM 179 CG2 THR A 11 3.530 6.882 10.705 1.00 0.00 C ATOM 0 H THR A 11 2.298 3.021 10.290 1.00 0.00 H new ATOM 0 HA THR A 11 3.990 4.461 12.046 1.00 0.00 H new ATOM 0 HB THR A 11 2.497 5.308 9.644 1.00 0.00 H new ATOM 0 HG1 THR A 11 4.447 4.041 9.413 1.00 0.00 H new ATOM 0 HG21 THR A 11 3.751 7.460 9.808 1.00 0.00 H new ATOM 0 HG22 THR A 11 2.616 7.260 11.164 1.00 0.00 H new ATOM 0 HG23 THR A 11 4.356 6.976 11.410 1.00 0.00 H new ATOM 187 N GLN A 12 0.716 5.102 11.789 1.00 0.00 N ATOM 188 CA GLN A 12 -0.430 5.689 12.428 1.00 0.00 C ATOM 189 C GLN A 12 -0.784 5.021 13.717 1.00 0.00 C ATOM 190 O GLN A 12 -1.161 5.706 14.661 1.00 0.00 O ATOM 191 CB GLN A 12 -1.694 5.598 11.562 1.00 0.00 C ATOM 192 CG GLN A 12 -1.608 6.393 10.260 1.00 0.00 C ATOM 193 CD GLN A 12 -2.912 6.154 9.507 1.00 0.00 C ATOM 194 OE1 GLN A 12 -3.148 5.063 8.973 1.00 0.00 O ATOM 195 NE2 GLN A 12 -3.779 7.211 9.481 1.00 0.00 N ATOM 0 H GLN A 12 0.512 4.655 10.895 1.00 0.00 H new ATOM 0 HA GLN A 12 -0.132 6.724 12.593 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -1.887 4.552 11.326 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -2.546 5.956 12.140 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -1.469 7.455 10.464 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -0.754 6.069 9.665 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -3.529 8.087 9.940 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -4.676 7.123 9.003 1.00 0.00 H new ATOM 204 N HIS A 13 -0.706 3.678 13.778 1.00 0.00 N ATOM 205 CA HIS A 13 -1.361 2.963 14.827 1.00 0.00 C ATOM 206 C HIS A 13 -0.428 2.141 15.651 1.00 0.00 C ATOM 207 O HIS A 13 -0.905 1.422 16.522 1.00 0.00 O ATOM 208 CB HIS A 13 -2.466 2.037 14.300 1.00 0.00 C ATOM 209 CG HIS A 13 -3.543 2.771 13.548 1.00 0.00 C ATOM 210 ND1 HIS A 13 -4.641 3.279 14.181 1.00 0.00 N ATOM 211 CD2 HIS A 13 -3.715 2.987 12.222 1.00 0.00 C ATOM 212 CE1 HIS A 13 -5.474 3.752 13.266 1.00 0.00 C ATOM 213 NE2 HIS A 13 -4.931 3.596 12.068 1.00 0.00 N ATOM 0 H HIS A 13 -0.198 3.096 13.112 1.00 0.00 H new ATOM 0 HA HIS A 13 -1.795 3.742 15.453 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -2.022 1.287 13.646 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -2.915 1.504 15.138 1.00 0.00 H new ATOM 0 HD1 HIS A 13 -4.794 3.292 15.189 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -3.023 2.728 11.435 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -6.439 4.193 13.465 1.00 0.00 H new ATOM 222 N TYR A 14 0.904 2.202 15.433 1.00 0.00 N ATOM 223 CA TYR A 14 1.815 1.635 16.382 1.00 0.00 C ATOM 224 C TYR A 14 2.557 2.727 17.070 1.00 0.00 C ATOM 225 O TYR A 14 3.137 3.602 16.427 1.00 0.00 O ATOM 226 CB TYR A 14 2.794 0.663 15.740 1.00 0.00 C ATOM 227 CG TYR A 14 3.439 -0.186 16.735 1.00 0.00 C ATOM 228 CD1 TYR A 14 2.705 -1.226 17.243 1.00 0.00 C ATOM 229 CD2 TYR A 14 4.763 -0.024 17.059 1.00 0.00 C ATOM 230 CE1 TYR A 14 3.273 -2.063 18.180 1.00 0.00 C ATOM 231 CE2 TYR A 14 5.336 -0.856 17.989 1.00 0.00 C ATOM 232 CZ TYR A 14 4.579 -1.842 18.581 1.00 0.00 C ATOM 233 OH TYR A 14 5.184 -2.622 19.578 1.00 0.00 O ATOM 0 H TYR A 14 1.340 2.634 14.618 1.00 0.00 H new ATOM 0 HA TYR A 14 1.228 1.066 17.104 1.00 0.00 H new ATOM 0 HB2 TYR A 14 2.268 0.041 15.016 1.00 0.00 H new ATOM 0 HB3 TYR A 14 3.552 1.220 15.190 1.00 0.00 H new ATOM 0 HD1 TYR A 14 1.690 -1.389 16.912 1.00 0.00 H new ATOM 0 HD2 TYR A 14 5.349 0.751 16.587 1.00 0.00 H new ATOM 0 HE1 TYR A 14 2.705 -2.882 18.596 1.00 0.00 H new ATOM 0 HE2 TYR A 14 6.376 -0.737 18.255 1.00 0.00 H new ATOM 0 HH TYR A 14 6.104 -2.315 19.720 1.00 0.00 H new ATOM 243 N ASP A 15 2.577 2.661 18.415 1.00 0.00 N ATOM 244 CA ASP A 15 3.510 3.432 19.180 1.00 0.00 C ATOM 245 C ASP A 15 3.705 2.556 20.360 1.00 0.00 C ATOM 246 O ASP A 15 2.809 2.466 21.189 1.00 0.00 O ATOM 247 CB ASP A 15 3.034 4.825 19.643 1.00 0.00 C ATOM 248 CG ASP A 15 4.177 5.492 20.401 1.00 0.00 C ATOM 249 OD1 ASP A 15 5.281 5.632 19.810 1.00 0.00 O ATOM 250 OD2 ASP A 15 3.955 5.885 21.576 1.00 0.00 O ATOM 0 H ASP A 15 1.951 2.077 18.970 1.00 0.00 H new ATOM 0 HA ASP A 15 4.390 3.673 18.583 1.00 0.00 H new ATOM 0 HB2 ASP A 15 2.742 5.431 18.786 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.156 4.733 20.283 1.00 0.00 H new ATOM 255 N ALA A 16 4.870 1.872 20.405 1.00 0.00 N ATOM 256 CA ALA A 16 5.197 0.734 21.239 1.00 0.00 C ATOM 257 C ALA A 16 4.776 0.761 22.670 1.00 0.00 C ATOM 258 O ALA A 16 4.300 -0.249 23.184 1.00 0.00 O ATOM 259 CB ALA A 16 6.694 0.398 21.250 1.00 0.00 C ATOM 0 H ALA A 16 5.654 2.135 19.807 1.00 0.00 H new ATOM 0 HA ALA A 16 4.593 -0.021 20.735 1.00 0.00 H new ATOM 0 HB1 ALA A 16 6.869 -0.464 21.894 1.00 0.00 H new ATOM 0 HB2 ALA A 16 7.022 0.166 20.237 1.00 0.00 H new ATOM 0 HB3 ALA A 16 7.256 1.252 21.627 1.00 0.00 H new ATOM 265 N LYS A 17 4.955 1.902 23.352 1.00 0.00 N ATOM 266 CA LYS A 17 4.411 2.074 24.669 1.00 0.00 C ATOM 267 C LYS A 17 3.954 3.497 24.737 1.00 0.00 C ATOM 268 O LYS A 17 4.479 4.320 23.987 1.00 0.00 O ATOM 269 CB LYS A 17 5.438 1.878 25.810 1.00 0.00 C ATOM 270 CG LYS A 17 5.854 0.419 26.042 1.00 0.00 C ATOM 271 CD LYS A 17 6.781 0.252 27.252 1.00 0.00 C ATOM 272 CE LYS A 17 7.119 -1.211 27.554 1.00 0.00 C ATOM 273 NZ LYS A 17 7.838 -1.829 26.419 1.00 0.00 N ATOM 0 H LYS A 17 5.474 2.706 22.998 1.00 0.00 H new ATOM 0 HA LYS A 17 3.630 1.327 24.812 1.00 0.00 H new ATOM 0 HB2 LYS A 17 6.328 2.466 25.587 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.017 2.275 26.734 1.00 0.00 H new ATOM 0 HG2 LYS A 17 4.962 -0.190 26.187 1.00 0.00 H new ATOM 0 HG3 LYS A 17 6.356 0.043 25.151 1.00 0.00 H new ATOM 0 HD2 LYS A 17 7.705 0.802 27.073 1.00 0.00 H new ATOM 0 HD3 LYS A 17 6.309 0.698 28.128 1.00 0.00 H new ATOM 0 HE2 LYS A 17 7.732 -1.269 28.454 1.00 0.00 H new ATOM 0 HE3 LYS A 17 6.203 -1.766 27.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 8.161 -2.780 26.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 7.200 -1.899 25.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 8.659 -1.243 26.168 1.00 0.00 H new ATOM 287 N PRO A 18 3.014 3.837 25.608 1.00 0.00 N ATOM 288 CA PRO A 18 2.619 5.192 25.860 1.00 0.00 C ATOM 289 C PRO A 18 3.720 5.887 26.600 1.00 0.00 C ATOM 290 O PRO A 18 4.390 5.264 27.425 1.00 0.00 O ATOM 291 CB PRO A 18 1.409 5.067 26.794 1.00 0.00 C ATOM 292 CG PRO A 18 1.477 3.655 27.374 1.00 0.00 C ATOM 293 CD PRO A 18 2.078 2.902 26.206 1.00 0.00 C ATOM 0 HA PRO A 18 2.401 5.746 24.947 1.00 0.00 H new ATOM 0 HB2 PRO A 18 1.446 5.817 27.584 1.00 0.00 H new ATOM 0 HB3 PRO A 18 0.477 5.222 26.250 1.00 0.00 H new ATOM 0 HG2 PRO A 18 2.102 3.603 28.266 1.00 0.00 H new ATOM 0 HG3 PRO A 18 0.494 3.273 27.651 1.00 0.00 H new ATOM 0 HD2 PRO A 18 2.582 1.994 26.537 1.00 0.00 H new ATOM 0 HD3 PRO A 18 1.311 2.599 25.493 1.00 0.00 H new ATOM 301 N GLN A 19 3.869 7.203 26.340 1.00 0.00 N ATOM 302 CA GLN A 19 4.685 8.056 27.136 1.00 0.00 C ATOM 303 C GLN A 19 3.860 8.389 28.331 1.00 0.00 C ATOM 304 O GLN A 19 4.269 8.180 29.472 1.00 0.00 O ATOM 305 CB GLN A 19 5.052 9.355 26.397 1.00 0.00 C ATOM 306 CG GLN A 19 5.815 9.126 25.083 1.00 0.00 C ATOM 307 CD GLN A 19 7.098 8.341 25.362 1.00 0.00 C ATOM 308 OE1 GLN A 19 7.232 7.181 24.954 1.00 0.00 O ATOM 309 NE2 GLN A 19 8.057 9.008 26.072 1.00 0.00 N ATOM 0 H GLN A 19 3.412 7.677 25.561 1.00 0.00 H new ATOM 0 HA GLN A 19 5.623 7.561 27.387 1.00 0.00 H new ATOM 0 HB2 GLN A 19 4.139 9.911 26.184 1.00 0.00 H new ATOM 0 HB3 GLN A 19 5.659 9.977 27.055 1.00 0.00 H new ATOM 0 HG2 GLN A 19 5.189 8.579 24.378 1.00 0.00 H new ATOM 0 HG3 GLN A 19 6.056 10.083 24.620 1.00 0.00 H new ATOM 0 HE21 GLN A 19 7.889 9.965 26.382 1.00 0.00 H new ATOM 0 HE22 GLN A 19 8.941 8.549 26.292 1.00 0.00 H new ATOM 318 N GLY A 20 2.645 8.891 28.055 1.00 0.00 N ATOM 319 CA GLY A 20 1.598 8.970 29.026 1.00 0.00 C ATOM 320 C GLY A 20 0.417 8.456 28.297 1.00 0.00 C ATOM 321 O GLY A 20 0.518 8.062 27.140 1.00 0.00 O ATOM 0 H GLY A 20 2.383 9.250 27.137 1.00 0.00 H new ATOM 0 HA2 GLY A 20 1.820 8.368 29.907 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.445 9.993 29.370 1.00 0.00 H new ATOM 325 N ARG A 21 -0.739 8.450 28.976 1.00 0.00 N ATOM 326 CA ARG A 21 -1.965 7.957 28.406 1.00 0.00 C ATOM 327 C ARG A 21 -2.946 9.059 28.625 1.00 0.00 C ATOM 328 O ARG A 21 -4.050 8.836 29.119 1.00 0.00 O ATOM 329 CB ARG A 21 -2.474 6.656 29.075 1.00 0.00 C ATOM 330 CG ARG A 21 -1.542 5.455 28.841 1.00 0.00 C ATOM 331 CD ARG A 21 -1.854 4.221 29.693 1.00 0.00 C ATOM 332 NE ARG A 21 -3.171 3.660 29.283 1.00 0.00 N ATOM 333 CZ ARG A 21 -3.603 2.474 29.805 1.00 0.00 C ATOM 334 NH1 ARG A 21 -2.809 1.766 30.659 1.00 0.00 N ATOM 335 NH2 ARG A 21 -4.840 1.999 29.483 1.00 0.00 N ATOM 0 H ARG A 21 -0.833 8.790 29.933 1.00 0.00 H new ATOM 0 HA ARG A 21 -1.820 7.697 27.357 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -2.580 6.823 30.147 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -3.466 6.420 28.689 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -1.592 5.174 27.789 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -0.516 5.766 29.039 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -1.072 3.472 29.569 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -1.873 4.489 30.749 1.00 0.00 H new ATOM 0 HE ARG A 21 -3.751 4.162 28.611 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -1.887 2.122 30.911 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -3.137 0.881 31.045 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -5.442 2.529 28.853 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -5.163 1.113 29.872 1.00 0.00 H new ATOM 349 N ASP A 22 -2.522 10.292 28.275 1.00 0.00 N ATOM 350 CA ASP A 22 -3.238 11.481 28.631 1.00 0.00 C ATOM 351 C ASP A 22 -3.336 12.364 27.431 1.00 0.00 C ATOM 352 O ASP A 22 -2.838 12.027 26.358 1.00 0.00 O ATOM 353 CB ASP A 22 -2.590 12.253 29.803 1.00 0.00 C ATOM 354 CG ASP A 22 -1.235 12.856 29.426 1.00 0.00 C ATOM 355 OD1 ASP A 22 -0.297 12.090 29.085 1.00 0.00 O ATOM 356 OD2 ASP A 22 -1.121 14.109 29.504 1.00 0.00 O ATOM 0 H ASP A 22 -1.672 10.464 27.738 1.00 0.00 H new ATOM 0 HA ASP A 22 -4.228 11.178 28.972 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -3.261 13.049 30.126 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -2.462 11.580 30.651 1.00 0.00 H new ATOM 361 N ASP A 23 -4.006 13.522 27.629 1.00 0.00 N ATOM 362 CA ASP A 23 -4.347 14.520 26.650 1.00 0.00 C ATOM 363 C ASP A 23 -3.154 15.052 25.920 1.00 0.00 C ATOM 364 O ASP A 23 -3.196 15.248 24.707 1.00 0.00 O ATOM 365 CB ASP A 23 -5.062 15.700 27.342 1.00 0.00 C ATOM 366 CG ASP A 23 -5.402 16.812 26.360 1.00 0.00 C ATOM 367 OD1 ASP A 23 -6.177 16.546 25.404 1.00 0.00 O ATOM 368 OD2 ASP A 23 -4.905 17.950 26.568 1.00 0.00 O ATOM 0 H ASP A 23 -4.338 13.781 28.558 1.00 0.00 H new ATOM 0 HA ASP A 23 -4.996 14.035 25.921 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.976 15.343 27.817 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -4.426 16.096 28.133 1.00 0.00 H new ATOM 373 N ARG A 24 -2.058 15.291 26.663 1.00 0.00 N ATOM 374 CA ARG A 24 -0.865 15.876 26.127 1.00 0.00 C ATOM 375 C ARG A 24 -0.009 14.861 25.433 1.00 0.00 C ATOM 376 O ARG A 24 0.839 15.247 24.631 1.00 0.00 O ATOM 377 CB ARG A 24 0.012 16.548 27.196 1.00 0.00 C ATOM 378 CG ARG A 24 -0.733 17.642 27.972 1.00 0.00 C ATOM 379 CD ARG A 24 0.172 18.411 28.939 1.00 0.00 C ATOM 380 NE ARG A 24 0.716 17.444 29.933 1.00 0.00 N ATOM 381 CZ ARG A 24 1.639 17.840 30.858 1.00 0.00 C ATOM 382 NH1 ARG A 24 2.055 19.139 30.904 1.00 0.00 N ATOM 383 NH2 ARG A 24 2.150 16.931 31.740 1.00 0.00 N ATOM 0 H ARG A 24 -1.998 15.074 27.658 1.00 0.00 H new ATOM 0 HA ARG A 24 -1.223 16.628 25.424 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.369 15.792 27.895 1.00 0.00 H new ATOM 0 HB3 ARG A 24 0.891 16.981 26.719 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -1.178 18.342 27.265 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -1.552 17.190 28.531 1.00 0.00 H new ATOM 0 HD2 ARG A 24 0.984 18.896 28.396 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -0.390 19.198 29.442 1.00 0.00 H new ATOM 0 HE ARG A 24 0.396 16.476 29.923 1.00 0.00 H new ATOM 0 HH11 ARG A 24 1.676 19.819 30.245 1.00 0.00 H new ATOM 0 HH12 ARG A 24 2.745 19.429 31.597 1.00 0.00 H new ATOM 0 HH21 ARG A 24 1.842 15.959 31.707 1.00 0.00 H new ATOM 0 HH22 ARG A 24 2.840 17.224 32.432 1.00 0.00 H new ATOM 397 N TYR A 25 -0.212 13.549 25.714 1.00 0.00 N ATOM 398 CA TYR A 25 0.512 12.512 25.029 1.00 0.00 C ATOM 399 C TYR A 25 -0.064 12.416 23.665 1.00 0.00 C ATOM 400 O TYR A 25 0.693 12.318 22.703 1.00 0.00 O ATOM 401 CB TYR A 25 0.421 11.120 25.696 1.00 0.00 C ATOM 402 CG TYR A 25 0.604 9.977 24.729 1.00 0.00 C ATOM 403 CD1 TYR A 25 1.834 9.656 24.170 1.00 0.00 C ATOM 404 CD2 TYR A 25 -0.485 9.168 24.434 1.00 0.00 C ATOM 405 CE1 TYR A 25 1.966 8.563 23.336 1.00 0.00 C ATOM 406 CE2 TYR A 25 -0.354 8.082 23.595 1.00 0.00 C ATOM 407 CZ TYR A 25 0.872 7.774 23.050 1.00 0.00 C ATOM 408 OH TYR A 25 1.003 6.652 22.208 1.00 0.00 O ATOM 0 H TYR A 25 -0.874 13.211 26.412 1.00 0.00 H new ATOM 0 HA TYR A 25 1.568 12.783 25.042 1.00 0.00 H new ATOM 0 HB2 TYR A 25 1.178 11.050 26.477 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.549 11.022 26.183 1.00 0.00 H new ATOM 0 HD1 TYR A 25 2.697 10.268 24.390 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -1.448 9.393 24.868 1.00 0.00 H new ATOM 0 HE1 TYR A 25 2.928 8.326 22.907 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -1.215 7.472 23.365 1.00 0.00 H new ATOM 0 HH TYR A 25 1.953 6.479 22.039 1.00 0.00 H new ATOM 418 N CYS A 26 -1.411 12.434 23.573 1.00 0.00 N ATOM 419 CA CYS A 26 -2.125 12.254 22.345 1.00 0.00 C ATOM 420 C CYS A 26 -1.950 13.395 21.400 1.00 0.00 C ATOM 421 O CYS A 26 -1.873 13.183 20.190 1.00 0.00 O ATOM 422 CB CYS A 26 -3.628 12.095 22.555 1.00 0.00 C ATOM 423 SG CYS A 26 -4.111 10.376 22.823 1.00 0.00 S ATOM 0 H CYS A 26 -2.019 12.578 24.379 1.00 0.00 H new ATOM 0 HA CYS A 26 -1.698 11.343 21.926 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -3.937 12.694 23.412 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -4.156 12.486 21.686 1.00 0.00 H new ATOM 428 N GLU A 27 -1.888 14.627 21.942 1.00 0.00 N ATOM 429 CA GLU A 27 -1.670 15.802 21.144 1.00 0.00 C ATOM 430 C GLU A 27 -0.278 15.814 20.612 1.00 0.00 C ATOM 431 O GLU A 27 -0.080 16.148 19.444 1.00 0.00 O ATOM 432 CB GLU A 27 -1.878 17.131 21.888 1.00 0.00 C ATOM 433 CG GLU A 27 -3.360 17.463 22.071 1.00 0.00 C ATOM 434 CD GLU A 27 -3.488 18.827 22.729 1.00 0.00 C ATOM 435 OE1 GLU A 27 -3.006 19.825 22.128 1.00 0.00 O ATOM 436 OE2 GLU A 27 -4.080 18.891 23.838 1.00 0.00 O ATOM 0 H GLU A 27 -1.989 14.812 22.940 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.419 15.738 20.354 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.396 17.079 22.864 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.392 17.935 21.335 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -3.867 17.462 21.106 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.842 16.703 22.685 1.00 0.00 H new ATOM 443 N SER A 28 0.713 15.439 21.453 1.00 0.00 N ATOM 444 CA SER A 28 2.079 15.442 21.049 1.00 0.00 C ATOM 445 C SER A 28 2.432 14.338 20.106 1.00 0.00 C ATOM 446 O SER A 28 3.410 14.493 19.387 1.00 0.00 O ATOM 447 CB SER A 28 3.045 15.352 22.234 1.00 0.00 C ATOM 448 OG SER A 28 2.974 16.538 23.009 1.00 0.00 O ATOM 0 H SER A 28 0.559 15.134 22.414 1.00 0.00 H new ATOM 0 HA SER A 28 2.189 16.399 20.539 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.797 14.489 22.852 1.00 0.00 H new ATOM 0 HB3 SER A 28 4.063 15.204 21.874 1.00 0.00 H new ATOM 0 HG SER A 28 2.292 16.434 23.705 1.00 0.00 H new ATOM 454 N ILE A 29 1.678 13.215 20.074 1.00 0.00 N ATOM 455 CA ILE A 29 2.009 12.136 19.180 1.00 0.00 C ATOM 456 C ILE A 29 1.410 12.357 17.832 1.00 0.00 C ATOM 457 O ILE A 29 2.061 12.054 16.833 1.00 0.00 O ATOM 458 CB ILE A 29 1.811 10.719 19.701 1.00 0.00 C ATOM 459 CG1 ILE A 29 2.360 9.680 18.704 1.00 0.00 C ATOM 460 CG2 ILE A 29 0.349 10.395 20.047 1.00 0.00 C ATOM 461 CD1 ILE A 29 2.763 8.386 19.387 1.00 0.00 C ATOM 0 H ILE A 29 0.855 13.055 20.655 1.00 0.00 H new ATOM 0 HA ILE A 29 3.095 12.183 19.095 1.00 0.00 H new ATOM 0 HB ILE A 29 2.377 10.664 20.631 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.603 9.469 17.948 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.222 10.098 18.184 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.280 9.370 20.412 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -0.002 11.080 20.819 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.269 10.505 19.156 1.00 0.00 H new ATOM 0 HD11 ILE A 29 3.144 7.685 18.644 1.00 0.00 H new ATOM 0 HD12 ILE A 29 3.540 8.590 20.124 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.896 7.952 19.884 1.00 0.00 H new ATOM 473 N MET A 30 0.180 12.923 17.765 1.00 0.00 N ATOM 474 CA MET A 30 -0.445 13.144 16.486 1.00 0.00 C ATOM 475 C MET A 30 0.254 14.270 15.781 1.00 0.00 C ATOM 476 O MET A 30 0.328 14.275 14.554 1.00 0.00 O ATOM 477 CB MET A 30 -1.963 13.437 16.517 1.00 0.00 C ATOM 478 CG MET A 30 -2.812 12.309 17.132 1.00 0.00 C ATOM 479 SD MET A 30 -3.128 10.904 16.030 1.00 0.00 S ATOM 480 CE MET A 30 -4.308 11.635 14.866 1.00 0.00 C ATOM 0 H MET A 30 -0.368 13.220 18.572 1.00 0.00 H new ATOM 0 HA MET A 30 -0.346 12.196 15.957 1.00 0.00 H new ATOM 0 HB2 MET A 30 -2.133 14.354 17.082 1.00 0.00 H new ATOM 0 HB3 MET A 30 -2.307 13.621 15.499 1.00 0.00 H new ATOM 0 HG2 MET A 30 -2.310 11.944 18.028 1.00 0.00 H new ATOM 0 HG3 MET A 30 -3.768 12.725 17.449 1.00 0.00 H new ATOM 0 HE1 MET A 30 -4.448 10.963 14.019 1.00 0.00 H new ATOM 0 HE2 MET A 30 -5.264 11.791 15.367 1.00 0.00 H new ATOM 0 HE3 MET A 30 -3.924 12.591 14.511 1.00 0.00 H new ATOM 490 N ARG A 31 0.796 15.236 16.555 1.00 0.00 N ATOM 491 CA ARG A 31 1.548 16.339 16.029 1.00 0.00 C ATOM 492 C ARG A 31 2.939 15.951 15.616 1.00 0.00 C ATOM 493 O ARG A 31 3.428 16.458 14.607 1.00 0.00 O ATOM 494 CB ARG A 31 1.629 17.472 17.065 1.00 0.00 C ATOM 495 CG ARG A 31 2.250 18.788 16.576 1.00 0.00 C ATOM 496 CD ARG A 31 2.030 19.919 17.584 1.00 0.00 C ATOM 497 NE ARG A 31 2.639 19.492 18.879 1.00 0.00 N ATOM 498 CZ ARG A 31 2.262 20.054 20.066 1.00 0.00 C ATOM 499 NH1 ARG A 31 1.360 21.078 20.095 1.00 0.00 N ATOM 500 NH2 ARG A 31 2.796 19.587 21.233 1.00 0.00 N ATOM 0 H ARG A 31 0.708 15.249 17.571 1.00 0.00 H new ATOM 0 HA ARG A 31 1.019 16.677 15.138 1.00 0.00 H new ATOM 0 HB2 ARG A 31 0.622 17.681 17.425 1.00 0.00 H new ATOM 0 HB3 ARG A 31 2.206 17.116 17.919 1.00 0.00 H new ATOM 0 HG2 ARG A 31 3.318 18.649 16.411 1.00 0.00 H new ATOM 0 HG3 ARG A 31 1.813 19.064 15.616 1.00 0.00 H new ATOM 0 HD2 ARG A 31 2.489 20.842 17.230 1.00 0.00 H new ATOM 0 HD3 ARG A 31 0.966 20.120 17.709 1.00 0.00 H new ATOM 0 HE ARG A 31 3.353 18.764 18.877 1.00 0.00 H new ATOM 0 HH11 ARG A 31 0.961 21.431 19.225 1.00 0.00 H new ATOM 0 HH12 ARG A 31 1.085 21.491 20.986 1.00 0.00 H new ATOM 0 HH21 ARG A 31 3.472 18.823 21.215 1.00 0.00 H new ATOM 0 HH22 ARG A 31 2.519 20.002 22.123 1.00 0.00 H new ATOM 514 N ARG A 32 3.612 15.076 16.399 1.00 0.00 N ATOM 515 CA ARG A 32 5.013 14.797 16.204 1.00 0.00 C ATOM 516 C ARG A 32 5.235 13.936 15.007 1.00 0.00 C ATOM 517 O ARG A 32 6.094 14.274 14.191 1.00 0.00 O ATOM 518 CB ARG A 32 5.701 14.155 17.424 1.00 0.00 C ATOM 519 CG ARG A 32 7.227 14.005 17.318 1.00 0.00 C ATOM 520 CD ARG A 32 7.874 13.589 18.645 1.00 0.00 C ATOM 521 NE ARG A 32 7.641 14.679 19.638 1.00 0.00 N ATOM 522 CZ ARG A 32 7.943 14.509 20.959 1.00 0.00 C ATOM 523 NH1 ARG A 32 8.504 13.345 21.396 1.00 0.00 N ATOM 524 NH2 ARG A 32 7.681 15.513 21.847 1.00 0.00 N ATOM 0 H ARG A 32 3.186 14.560 17.169 1.00 0.00 H new ATOM 0 HA ARG A 32 5.472 15.774 16.052 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.472 14.754 18.305 1.00 0.00 H new ATOM 0 HB3 ARG A 32 5.267 13.169 17.587 1.00 0.00 H new ATOM 0 HG2 ARG A 32 7.463 13.263 16.555 1.00 0.00 H new ATOM 0 HG3 ARG A 32 7.659 14.950 16.988 1.00 0.00 H new ATOM 0 HD2 ARG A 32 7.444 12.652 19.000 1.00 0.00 H new ATOM 0 HD3 ARG A 32 8.942 13.419 18.511 1.00 0.00 H new ATOM 0 HE ARG A 32 7.249 15.567 19.324 1.00 0.00 H new ATOM 0 HH11 ARG A 32 8.701 12.594 20.735 1.00 0.00 H new ATOM 0 HH12 ARG A 32 8.727 13.226 22.384 1.00 0.00 H new ATOM 0 HH21 ARG A 32 7.262 16.384 21.522 1.00 0.00 H new ATOM 0 HH22 ARG A 32 7.904 15.391 22.835 1.00 0.00 H new ATOM 538 N ARG A 33 4.480 12.815 14.861 1.00 0.00 N ATOM 539 CA ARG A 33 4.689 11.997 13.691 1.00 0.00 C ATOM 540 C ARG A 33 3.993 12.579 12.490 1.00 0.00 C ATOM 541 O ARG A 33 4.419 12.339 11.360 1.00 0.00 O ATOM 542 CB ARG A 33 4.397 10.494 13.862 1.00 0.00 C ATOM 543 CG ARG A 33 2.939 10.114 14.139 1.00 0.00 C ATOM 544 CD ARG A 33 2.742 8.601 14.237 1.00 0.00 C ATOM 545 NE ARG A 33 3.376 8.098 15.500 1.00 0.00 N ATOM 546 CZ ARG A 33 4.403 7.193 15.519 1.00 0.00 C ATOM 547 NH1 ARG A 33 4.991 6.761 14.366 1.00 0.00 N ATOM 548 NH2 ARG A 33 4.854 6.715 16.717 1.00 0.00 N ATOM 0 H ARG A 33 3.765 12.490 15.512 1.00 0.00 H new ATOM 0 HA ARG A 33 5.766 12.027 13.523 1.00 0.00 H new ATOM 0 HB2 ARG A 33 4.719 9.978 12.958 1.00 0.00 H new ATOM 0 HB3 ARG A 33 5.010 10.117 14.680 1.00 0.00 H new ATOM 0 HG2 ARG A 33 2.614 10.581 15.069 1.00 0.00 H new ATOM 0 HG3 ARG A 33 2.306 10.510 13.345 1.00 0.00 H new ATOM 0 HD2 ARG A 33 1.679 8.360 14.229 1.00 0.00 H new ATOM 0 HD3 ARG A 33 3.187 8.108 13.372 1.00 0.00 H new ATOM 0 HE ARG A 33 3.024 8.448 16.391 1.00 0.00 H new ATOM 0 HH11 ARG A 33 4.667 7.113 13.465 1.00 0.00 H new ATOM 0 HH12 ARG A 33 5.755 6.086 14.405 1.00 0.00 H new ATOM 0 HH21 ARG A 33 4.426 7.033 17.587 1.00 0.00 H new ATOM 0 HH22 ARG A 33 5.619 6.040 16.742 1.00 0.00 H new ATOM 562 N GLY A 34 2.941 13.397 12.716 1.00 0.00 N ATOM 563 CA GLY A 34 2.449 14.297 11.710 1.00 0.00 C ATOM 564 C GLY A 34 1.444 13.639 10.828 1.00 0.00 C ATOM 565 O GLY A 34 1.643 13.536 9.618 1.00 0.00 O ATOM 0 H GLY A 34 2.430 13.434 13.598 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.000 15.167 12.188 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.281 14.659 11.107 1.00 0.00 H new ATOM 569 N LEU A 35 0.322 13.205 11.434 1.00 0.00 N ATOM 570 CA LEU A 35 -0.805 12.677 10.715 1.00 0.00 C ATOM 571 C LEU A 35 -2.023 13.384 11.203 1.00 0.00 C ATOM 572 O LEU A 35 -3.163 13.001 10.940 1.00 0.00 O ATOM 573 CB LEU A 35 -0.927 11.146 10.764 1.00 0.00 C ATOM 574 CG LEU A 35 -1.128 10.415 12.121 1.00 0.00 C ATOM 575 CD1 LEU A 35 -0.692 11.100 13.428 1.00 0.00 C ATOM 576 CD2 LEU A 35 -2.550 9.838 12.238 1.00 0.00 C ATOM 0 H LEU A 35 0.192 13.220 12.446 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.666 12.868 9.651 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.763 10.869 10.122 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.026 10.736 10.308 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.381 9.625 12.044 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.908 10.445 14.272 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.378 11.305 13.392 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.237 12.037 13.547 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.660 9.333 13.198 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.278 10.647 12.168 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.721 9.125 11.431 1.00 0.00 H new ATOM 588 N THR A 36 -1.743 14.502 11.896 1.00 0.00 N ATOM 589 CA THR A 36 -2.694 15.507 12.293 1.00 0.00 C ATOM 590 C THR A 36 -2.923 16.497 11.175 1.00 0.00 C ATOM 591 O THR A 36 -3.586 17.514 11.368 1.00 0.00 O ATOM 592 CB THR A 36 -2.270 16.235 13.558 1.00 0.00 C ATOM 593 OG1 THR A 36 -3.327 17.015 14.095 1.00 0.00 O ATOM 594 CG2 THR A 36 -1.025 17.122 13.340 1.00 0.00 C ATOM 0 H THR A 36 -0.795 14.722 12.200 1.00 0.00 H new ATOM 0 HA THR A 36 -3.629 14.990 12.511 1.00 0.00 H new ATOM 0 HB THR A 36 -2.008 15.457 14.275 1.00 0.00 H new ATOM 0 HG1 THR A 36 -3.868 17.380 13.364 1.00 0.00 H new ATOM 0 HG21 THR A 36 -0.764 17.619 14.274 1.00 0.00 H new ATOM 0 HG22 THR A 36 -0.190 16.503 13.013 1.00 0.00 H new ATOM 0 HG23 THR A 36 -1.241 17.871 12.578 1.00 0.00 H new ATOM 602 N SER A 37 -2.396 16.233 9.959 1.00 0.00 N ATOM 603 CA SER A 37 -2.638 17.056 8.818 1.00 0.00 C ATOM 604 C SER A 37 -3.450 16.266 7.827 1.00 0.00 C ATOM 605 O SER A 37 -2.866 15.400 7.179 1.00 0.00 O ATOM 606 CB SER A 37 -1.308 17.385 8.136 1.00 0.00 C ATOM 607 OG SER A 37 -0.545 18.267 8.945 1.00 0.00 O ATOM 0 H SER A 37 -1.792 15.433 9.771 1.00 0.00 H new ATOM 0 HA SER A 37 -3.150 17.966 9.131 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.747 16.468 7.957 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.493 17.841 7.163 1.00 0.00 H new ATOM 0 HG SER A 37 0.304 18.468 8.499 1.00 0.00 H new ATOM 613 N PRO A 38 -4.743 16.484 7.600 1.00 0.00 N ATOM 614 CA PRO A 38 -5.705 17.119 8.468 1.00 0.00 C ATOM 615 C PRO A 38 -6.038 16.139 9.557 1.00 0.00 C ATOM 616 O PRO A 38 -5.748 14.949 9.415 1.00 0.00 O ATOM 617 CB PRO A 38 -6.925 17.341 7.574 1.00 0.00 C ATOM 618 CG PRO A 38 -6.855 16.213 6.541 1.00 0.00 C ATOM 619 CD PRO A 38 -5.351 15.969 6.387 1.00 0.00 C ATOM 0 HA PRO A 38 -5.359 18.048 8.921 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -7.851 17.297 8.148 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -6.893 18.320 7.095 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -7.374 15.319 6.886 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -7.314 16.504 5.596 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.137 14.907 6.262 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.960 16.478 5.506 1.00 0.00 H new ATOM 627 N CYS A 39 -6.623 16.651 10.667 1.00 0.00 N ATOM 628 CA CYS A 39 -6.799 15.940 11.890 1.00 0.00 C ATOM 629 C CYS A 39 -7.731 14.789 11.732 1.00 0.00 C ATOM 630 O CYS A 39 -8.906 14.956 11.401 1.00 0.00 O ATOM 631 CB CYS A 39 -7.321 16.886 12.978 1.00 0.00 C ATOM 632 SG CYS A 39 -6.220 18.322 13.118 1.00 0.00 S ATOM 0 H CYS A 39 -6.986 17.603 10.704 1.00 0.00 H new ATOM 0 HA CYS A 39 -5.827 15.544 12.184 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -8.332 17.213 12.735 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -7.376 16.363 13.933 1.00 0.00 H new ATOM 637 N LYS A 40 -7.167 13.583 11.968 1.00 0.00 N ATOM 638 CA LYS A 40 -7.865 12.335 11.902 1.00 0.00 C ATOM 639 C LYS A 40 -8.719 12.287 13.124 1.00 0.00 C ATOM 640 O LYS A 40 -8.277 12.670 14.207 1.00 0.00 O ATOM 641 CB LYS A 40 -6.887 11.138 11.885 1.00 0.00 C ATOM 642 CG LYS A 40 -7.515 9.734 11.833 1.00 0.00 C ATOM 643 CD LYS A 40 -8.372 9.456 10.591 1.00 0.00 C ATOM 644 CE LYS A 40 -8.975 8.048 10.606 1.00 0.00 C ATOM 645 NZ LYS A 40 -9.802 7.833 9.400 1.00 0.00 N ATOM 0 H LYS A 40 -6.183 13.478 12.215 1.00 0.00 H new ATOM 0 HA LYS A 40 -8.452 12.265 10.986 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -6.229 11.249 11.023 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -6.260 11.198 12.775 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -6.717 8.993 11.879 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -8.132 9.594 12.721 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.174 10.192 10.533 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -7.762 9.578 9.696 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -8.179 7.304 10.647 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -9.583 7.914 11.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -10.205 6.875 9.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -10.572 8.532 9.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -9.212 7.941 8.551 1.00 0.00 H new ATOM 659 N ASP A 41 -9.977 11.833 12.931 1.00 0.00 N ATOM 660 CA ASP A 41 -11.025 11.925 13.904 1.00 0.00 C ATOM 661 C ASP A 41 -10.870 10.938 15.008 1.00 0.00 C ATOM 662 O ASP A 41 -11.220 11.240 16.147 1.00 0.00 O ATOM 663 CB ASP A 41 -12.415 11.710 13.292 1.00 0.00 C ATOM 664 CG ASP A 41 -12.597 12.741 12.187 1.00 0.00 C ATOM 665 OD1 ASP A 41 -12.571 13.960 12.503 1.00 0.00 O ATOM 666 OD2 ASP A 41 -12.760 12.321 11.011 1.00 0.00 O ATOM 0 H ASP A 41 -10.273 11.385 12.064 1.00 0.00 H new ATOM 0 HA ASP A 41 -10.942 12.938 14.297 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -12.505 10.700 12.892 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -13.189 11.822 14.051 1.00 0.00 H new ATOM 671 N ILE A 42 -10.362 9.728 14.709 1.00 0.00 N ATOM 672 CA ILE A 42 -10.128 8.791 15.765 1.00 0.00 C ATOM 673 C ILE A 42 -8.975 7.954 15.316 1.00 0.00 C ATOM 674 O ILE A 42 -8.942 7.489 14.176 1.00 0.00 O ATOM 675 CB ILE A 42 -11.377 8.008 16.159 1.00 0.00 C ATOM 676 CG1 ILE A 42 -11.233 7.436 17.581 1.00 0.00 C ATOM 677 CG2 ILE A 42 -11.786 6.950 15.110 1.00 0.00 C ATOM 678 CD1 ILE A 42 -12.590 7.218 18.251 1.00 0.00 C ATOM 0 H ILE A 42 -10.121 9.406 13.772 1.00 0.00 H new ATOM 0 HA ILE A 42 -9.876 9.292 16.699 1.00 0.00 H new ATOM 0 HB ILE A 42 -12.212 8.709 16.176 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -10.694 6.490 17.538 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -10.635 8.117 18.187 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -12.681 6.428 15.449 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -11.991 7.441 14.159 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -10.975 6.233 14.981 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -12.441 6.814 19.252 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -13.119 8.169 18.319 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -13.179 6.516 17.660 1.00 0.00 H new ATOM 690 N ASN A 43 -7.966 7.793 16.195 1.00 0.00 N ATOM 691 CA ASN A 43 -6.746 7.161 15.778 1.00 0.00 C ATOM 692 C ASN A 43 -6.111 6.556 16.984 1.00 0.00 C ATOM 693 O ASN A 43 -5.773 7.257 17.936 1.00 0.00 O ATOM 694 CB ASN A 43 -5.756 8.163 15.158 1.00 0.00 C ATOM 695 CG ASN A 43 -4.586 7.397 14.546 1.00 0.00 C ATOM 696 OD1 ASN A 43 -4.741 6.690 13.542 1.00 0.00 O ATOM 697 ND2 ASN A 43 -3.386 7.564 15.173 1.00 0.00 N ATOM 0 H ASN A 43 -7.990 8.091 17.170 1.00 0.00 H new ATOM 0 HA ASN A 43 -6.985 6.415 15.020 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -6.254 8.760 14.395 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -5.395 8.855 15.919 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -2.555 7.093 14.817 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -3.320 8.160 15.998 1.00 0.00 H new ATOM 704 N THR A 44 -5.934 5.219 16.954 1.00 0.00 N ATOM 705 CA THR A 44 -5.487 4.481 18.099 1.00 0.00 C ATOM 706 C THR A 44 -4.047 4.127 17.966 1.00 0.00 C ATOM 707 O THR A 44 -3.676 3.403 17.048 1.00 0.00 O ATOM 708 CB THR A 44 -6.260 3.202 18.246 1.00 0.00 C ATOM 709 OG1 THR A 44 -7.641 3.518 18.291 1.00 0.00 O ATOM 710 CG2 THR A 44 -5.856 2.486 19.544 1.00 0.00 C ATOM 0 H THR A 44 -6.103 4.645 16.128 1.00 0.00 H new ATOM 0 HA THR A 44 -5.642 5.116 18.971 1.00 0.00 H new ATOM 0 HB THR A 44 -6.047 2.544 17.404 1.00 0.00 H new ATOM 0 HG1 THR A 44 -8.156 2.707 18.484 1.00 0.00 H new ATOM 0 HG21 THR A 44 -6.423 1.560 19.640 1.00 0.00 H new ATOM 0 HG22 THR A 44 -4.790 2.258 19.517 1.00 0.00 H new ATOM 0 HG23 THR A 44 -6.068 3.131 20.397 1.00 0.00 H new ATOM 718 N PHE A 45 -3.214 4.587 18.926 1.00 0.00 N ATOM 719 CA PHE A 45 -1.863 4.110 19.029 1.00 0.00 C ATOM 720 C PHE A 45 -1.908 2.903 19.905 1.00 0.00 C ATOM 721 O PHE A 45 -2.261 2.982 21.080 1.00 0.00 O ATOM 722 CB PHE A 45 -0.863 5.102 19.642 1.00 0.00 C ATOM 723 CG PHE A 45 -0.795 6.301 18.761 1.00 0.00 C ATOM 724 CD1 PHE A 45 0.059 6.374 17.672 1.00 0.00 C ATOM 725 CD2 PHE A 45 -1.635 7.361 19.025 1.00 0.00 C ATOM 726 CE1 PHE A 45 0.026 7.468 16.837 1.00 0.00 C ATOM 727 CE2 PHE A 45 -1.670 8.455 18.187 1.00 0.00 C ATOM 728 CZ PHE A 45 -0.832 8.510 17.093 1.00 0.00 C ATOM 0 H PHE A 45 -3.474 5.283 19.625 1.00 0.00 H new ATOM 0 HA PHE A 45 -1.509 3.923 18.015 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.177 5.386 20.646 1.00 0.00 H new ATOM 0 HB3 PHE A 45 0.121 4.642 19.734 1.00 0.00 H new ATOM 0 HD1 PHE A 45 0.753 5.570 17.478 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -2.272 7.334 19.897 1.00 0.00 H new ATOM 0 HE1 PHE A 45 0.678 7.507 15.977 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.353 9.268 18.387 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.850 9.370 16.439 1.00 0.00 H new ATOM 738 N ILE A 46 -1.548 1.750 19.313 1.00 0.00 N ATOM 739 CA ILE A 46 -1.550 0.474 19.958 1.00 0.00 C ATOM 740 C ILE A 46 -0.178 0.322 20.504 1.00 0.00 C ATOM 741 O ILE A 46 0.802 0.812 19.955 1.00 0.00 O ATOM 742 CB ILE A 46 -1.812 -0.661 18.985 1.00 0.00 C ATOM 743 CG1 ILE A 46 -3.203 -0.476 18.336 1.00 0.00 C ATOM 744 CG2 ILE A 46 -1.615 -2.055 19.622 1.00 0.00 C ATOM 745 CD1 ILE A 46 -3.536 -1.536 17.285 1.00 0.00 C ATOM 0 H ILE A 46 -1.242 1.706 18.341 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.335 0.430 20.713 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.063 -0.618 18.194 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -3.964 -0.499 19.116 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.250 0.510 17.873 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.816 -2.826 18.879 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.589 -2.151 19.976 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -2.301 -2.172 20.461 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -4.527 -1.342 16.874 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.797 -1.500 16.485 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.522 -2.523 17.747 1.00 0.00 H new ATOM 757 N HIS A 47 -0.130 -0.400 21.623 1.00 0.00 N ATOM 758 CA HIS A 47 1.024 -0.595 22.448 1.00 0.00 C ATOM 759 C HIS A 47 1.160 -2.048 22.740 1.00 0.00 C ATOM 760 O HIS A 47 0.202 -2.699 23.156 1.00 0.00 O ATOM 761 CB HIS A 47 0.895 0.040 23.833 1.00 0.00 C ATOM 762 CG HIS A 47 0.219 1.367 23.806 1.00 0.00 C ATOM 763 ND1 HIS A 47 0.672 2.420 23.049 1.00 0.00 N ATOM 764 CD2 HIS A 47 -0.856 1.837 24.497 1.00 0.00 C ATOM 765 CE1 HIS A 47 -0.135 3.469 23.308 1.00 0.00 C ATOM 766 NE2 HIS A 47 -1.077 3.166 24.181 1.00 0.00 N ATOM 0 H HIS A 47 -0.951 -0.885 21.984 1.00 0.00 H new ATOM 0 HA HIS A 47 1.856 -0.153 21.900 1.00 0.00 H new ATOM 0 HB2 HIS A 47 0.336 -0.633 24.484 1.00 0.00 H new ATOM 0 HB3 HIS A 47 1.888 0.153 24.268 1.00 0.00 H new ATOM 0 HD1 HIS A 47 1.468 2.410 22.412 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -1.449 1.258 25.190 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -0.023 4.443 22.854 1.00 0.00 H new ATOM 774 N GLY A 48 2.382 -2.579 22.582 1.00 0.00 N ATOM 775 CA GLY A 48 2.626 -3.931 22.973 1.00 0.00 C ATOM 776 C GLY A 48 3.871 -4.336 22.282 1.00 0.00 C ATOM 777 O GLY A 48 4.936 -3.771 22.523 1.00 0.00 O ATOM 0 H GLY A 48 3.186 -2.087 22.193 1.00 0.00 H new ATOM 0 HA2 GLY A 48 2.736 -4.011 24.054 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.794 -4.576 22.689 1.00 0.00 H new ATOM 781 N ASN A 49 3.740 -5.337 21.392 1.00 0.00 N ATOM 782 CA ASN A 49 4.832 -5.780 20.582 1.00 0.00 C ATOM 783 C ASN A 49 4.239 -5.876 19.215 1.00 0.00 C ATOM 784 O ASN A 49 3.097 -6.305 19.056 1.00 0.00 O ATOM 785 CB ASN A 49 5.381 -7.150 21.035 1.00 0.00 C ATOM 786 CG ASN A 49 6.783 -7.426 20.479 1.00 0.00 C ATOM 787 OD1 ASN A 49 7.413 -6.608 19.801 1.00 0.00 O ATOM 788 ND2 ASN A 49 7.289 -8.652 20.820 1.00 0.00 N ATOM 0 H ASN A 49 2.869 -5.843 21.233 1.00 0.00 H new ATOM 0 HA ASN A 49 5.683 -5.102 20.641 1.00 0.00 H new ATOM 0 HB2 ASN A 49 5.411 -7.185 22.124 1.00 0.00 H new ATOM 0 HB3 ASN A 49 4.701 -7.937 20.709 1.00 0.00 H new ATOM 0 HD21 ASN A 49 8.223 -8.922 20.512 1.00 0.00 H new ATOM 0 HD22 ASN A 49 6.732 -9.295 21.382 1.00 0.00 H new ATOM 795 N LYS A 50 5.013 -5.472 18.184 1.00 0.00 N ATOM 796 CA LYS A 50 4.566 -5.592 16.827 1.00 0.00 C ATOM 797 C LYS A 50 4.941 -6.940 16.270 1.00 0.00 C ATOM 798 O LYS A 50 4.588 -7.263 15.140 1.00 0.00 O ATOM 799 CB LYS A 50 5.028 -4.466 15.875 1.00 0.00 C ATOM 800 CG LYS A 50 6.446 -3.943 16.121 1.00 0.00 C ATOM 801 CD LYS A 50 6.899 -2.972 15.022 1.00 0.00 C ATOM 802 CE LYS A 50 8.258 -2.324 15.309 1.00 0.00 C ATOM 803 NZ LYS A 50 9.322 -3.349 15.386 1.00 0.00 N ATOM 0 H LYS A 50 5.942 -5.065 18.291 1.00 0.00 H new ATOM 0 HA LYS A 50 3.482 -5.488 16.877 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.966 -4.831 14.850 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.331 -3.632 15.960 1.00 0.00 H new ATOM 0 HG2 LYS A 50 6.485 -3.440 17.087 1.00 0.00 H new ATOM 0 HG3 LYS A 50 7.139 -4.783 16.171 1.00 0.00 H new ATOM 0 HD2 LYS A 50 6.952 -3.507 14.074 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.149 -2.190 14.906 1.00 0.00 H new ATOM 0 HE2 LYS A 50 8.496 -1.604 14.526 1.00 0.00 H new ATOM 0 HE3 LYS A 50 8.211 -1.770 16.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 10.247 -2.883 15.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.157 -3.959 16.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 9.311 -3.926 14.521 1.00 0.00 H new ATOM 817 N ARG A 51 5.620 -7.792 17.072 1.00 0.00 N ATOM 818 CA ARG A 51 5.788 -9.178 16.740 1.00 0.00 C ATOM 819 C ARG A 51 4.515 -9.877 17.102 1.00 0.00 C ATOM 820 O ARG A 51 4.118 -10.852 16.464 1.00 0.00 O ATOM 821 CB ARG A 51 6.953 -9.834 17.503 1.00 0.00 C ATOM 822 CG ARG A 51 7.389 -11.196 16.942 1.00 0.00 C ATOM 823 CD ARG A 51 8.532 -11.832 17.740 1.00 0.00 C ATOM 824 NE ARG A 51 9.716 -10.929 17.667 1.00 0.00 N ATOM 825 CZ ARG A 51 10.857 -11.216 18.358 1.00 0.00 C ATOM 826 NH1 ARG A 51 10.936 -12.348 19.116 1.00 0.00 N ATOM 827 NH2 ARG A 51 11.923 -10.367 18.290 1.00 0.00 N ATOM 0 H ARG A 51 6.053 -7.517 17.953 1.00 0.00 H new ATOM 0 HA ARG A 51 6.019 -9.258 15.678 1.00 0.00 H new ATOM 0 HB2 ARG A 51 7.808 -9.158 17.489 1.00 0.00 H new ATOM 0 HB3 ARG A 51 6.664 -9.960 18.546 1.00 0.00 H new ATOM 0 HG2 ARG A 51 6.534 -11.872 16.939 1.00 0.00 H new ATOM 0 HG3 ARG A 51 7.701 -11.073 15.905 1.00 0.00 H new ATOM 0 HD2 ARG A 51 8.233 -11.982 18.777 1.00 0.00 H new ATOM 0 HD3 ARG A 51 8.778 -12.813 17.334 1.00 0.00 H new ATOM 0 HE ARG A 51 9.673 -10.087 17.094 1.00 0.00 H new ATOM 0 HH11 ARG A 51 10.140 -12.984 19.168 1.00 0.00 H new ATOM 0 HH12 ARG A 51 11.791 -12.558 19.631 1.00 0.00 H new ATOM 0 HH21 ARG A 51 11.866 -9.521 17.724 1.00 0.00 H new ATOM 0 HH22 ARG A 51 12.777 -10.579 18.805 1.00 0.00 H new ATOM 841 N SER A 52 3.838 -9.361 18.148 1.00 0.00 N ATOM 842 CA SER A 52 2.562 -9.829 18.569 1.00 0.00 C ATOM 843 C SER A 52 1.483 -9.297 17.677 1.00 0.00 C ATOM 844 O SER A 52 0.470 -9.976 17.534 1.00 0.00 O ATOM 845 CB SER A 52 2.263 -9.475 20.026 1.00 0.00 C ATOM 846 OG SER A 52 3.144 -10.183 20.885 1.00 0.00 O ATOM 0 H SER A 52 4.196 -8.593 18.715 1.00 0.00 H new ATOM 0 HA SER A 52 2.585 -10.916 18.496 1.00 0.00 H new ATOM 0 HB2 SER A 52 2.376 -8.402 20.179 1.00 0.00 H new ATOM 0 HB3 SER A 52 1.229 -9.724 20.265 1.00 0.00 H new ATOM 0 HG SER A 52 2.949 -9.951 21.817 1.00 0.00 H new ATOM 852 N ILE A 53 1.668 -8.099 17.053 1.00 0.00 N ATOM 853 CA ILE A 53 0.715 -7.568 16.098 1.00 0.00 C ATOM 854 C ILE A 53 0.701 -8.400 14.846 1.00 0.00 C ATOM 855 O ILE A 53 -0.367 -8.706 14.315 1.00 0.00 O ATOM 856 CB ILE A 53 0.845 -6.060 15.835 1.00 0.00 C ATOM 857 CG1 ILE A 53 -0.524 -5.358 15.836 1.00 0.00 C ATOM 858 CG2 ILE A 53 1.610 -5.670 14.553 1.00 0.00 C ATOM 859 CD1 ILE A 53 -1.166 -5.414 17.213 1.00 0.00 C ATOM 0 H ILE A 53 2.478 -7.499 17.211 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.268 -7.651 16.561 1.00 0.00 H new ATOM 0 HB ILE A 53 1.452 -5.714 16.671 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.404 -4.319 15.529 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.180 -5.832 15.106 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.643 -4.584 14.465 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.626 -6.061 14.603 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.102 -6.089 13.684 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -2.132 -4.910 17.185 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -1.307 -6.454 17.506 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.519 -4.918 17.936 1.00 0.00 H new ATOM 871 N LYS A 54 1.907 -8.814 14.401 1.00 0.00 N ATOM 872 CA LYS A 54 2.110 -9.735 13.298 1.00 0.00 C ATOM 873 C LYS A 54 1.438 -11.047 13.560 1.00 0.00 C ATOM 874 O LYS A 54 0.782 -11.604 12.676 1.00 0.00 O ATOM 875 CB LYS A 54 3.578 -10.104 13.020 1.00 0.00 C ATOM 876 CG LYS A 54 4.392 -8.988 12.361 1.00 0.00 C ATOM 877 CD LYS A 54 5.896 -9.293 12.360 1.00 0.00 C ATOM 878 CE LYS A 54 6.764 -8.094 11.968 1.00 0.00 C ATOM 879 NZ LYS A 54 6.469 -7.660 10.586 1.00 0.00 N ATOM 0 H LYS A 54 2.781 -8.499 14.821 1.00 0.00 H new ATOM 0 HA LYS A 54 1.698 -9.192 12.447 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.056 -10.380 13.960 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.604 -10.985 12.378 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.050 -8.848 11.335 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.213 -8.050 12.887 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.190 -9.635 13.353 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.091 -10.114 11.670 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.586 -7.270 12.658 1.00 0.00 H new ATOM 0 HE3 LYS A 54 7.818 -8.359 12.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.360 -7.519 10.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.903 -8.389 10.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.936 -6.767 10.609 1.00 0.00 H new ATOM 893 N ALA A 55 1.575 -11.556 14.807 1.00 0.00 N ATOM 894 CA ALA A 55 1.020 -12.813 15.224 1.00 0.00 C ATOM 895 C ALA A 55 -0.459 -12.773 15.521 1.00 0.00 C ATOM 896 O ALA A 55 -0.979 -13.728 16.091 1.00 0.00 O ATOM 897 CB ALA A 55 1.704 -13.344 16.494 1.00 0.00 C ATOM 0 H ALA A 55 2.088 -11.076 15.546 1.00 0.00 H new ATOM 0 HA ALA A 55 1.194 -13.464 14.367 1.00 0.00 H new ATOM 0 HB1 ALA A 55 1.256 -14.296 16.777 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.768 -13.486 16.302 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.574 -12.627 17.304 1.00 0.00 H new ATOM 903 N ILE A 56 -1.193 -11.703 15.125 1.00 0.00 N ATOM 904 CA ILE A 56 -2.630 -11.722 15.193 1.00 0.00 C ATOM 905 C ILE A 56 -3.131 -12.413 13.960 1.00 0.00 C ATOM 906 O ILE A 56 -4.234 -12.959 13.959 1.00 0.00 O ATOM 907 CB ILE A 56 -3.242 -10.339 15.371 1.00 0.00 C ATOM 908 CG1 ILE A 56 -2.692 -9.657 16.645 1.00 0.00 C ATOM 909 CG2 ILE A 56 -4.780 -10.407 15.440 1.00 0.00 C ATOM 910 CD1 ILE A 56 -2.667 -10.553 17.886 1.00 0.00 C ATOM 0 H ILE A 56 -0.795 -10.837 14.763 1.00 0.00 H new ATOM 0 HA ILE A 56 -2.941 -12.267 16.084 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.963 -9.746 14.500 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.679 -9.306 16.445 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -3.298 -8.777 16.860 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -5.183 -9.402 15.567 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -5.167 -10.839 14.517 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -5.079 -11.028 16.285 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.267 -9.993 18.731 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -3.680 -10.884 18.117 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.037 -11.421 17.695 1.00 0.00 H new ATOM 922 N CYS A 57 -2.317 -12.439 12.879 1.00 0.00 N ATOM 923 CA CYS A 57 -2.766 -13.005 11.640 1.00 0.00 C ATOM 924 C CYS A 57 -2.593 -14.495 11.566 1.00 0.00 C ATOM 925 O CYS A 57 -3.140 -15.117 10.656 1.00 0.00 O ATOM 926 CB CYS A 57 -2.086 -12.375 10.425 1.00 0.00 C ATOM 927 SG CYS A 57 -2.206 -10.571 10.504 1.00 0.00 S ATOM 0 H CYS A 57 -1.365 -12.074 12.864 1.00 0.00 H new ATOM 0 HA CYS A 57 -3.832 -12.779 11.616 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -1.039 -12.675 10.389 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -2.553 -12.738 9.509 1.00 0.00 H new ATOM 932 N GLU A 58 -1.853 -15.107 12.522 1.00 0.00 N ATOM 933 CA GLU A 58 -1.818 -16.542 12.630 1.00 0.00 C ATOM 934 C GLU A 58 -2.973 -16.961 13.486 1.00 0.00 C ATOM 935 O GLU A 58 -3.599 -16.136 14.151 1.00 0.00 O ATOM 936 CB GLU A 58 -0.506 -17.125 13.200 1.00 0.00 C ATOM 937 CG GLU A 58 -0.143 -16.660 14.614 1.00 0.00 C ATOM 938 CD GLU A 58 1.198 -17.283 14.972 1.00 0.00 C ATOM 939 OE1 GLU A 58 1.275 -18.539 15.006 1.00 0.00 O ATOM 940 OE2 GLU A 58 2.164 -16.511 15.212 1.00 0.00 O ATOM 0 H GLU A 58 -1.286 -14.614 13.212 1.00 0.00 H new ATOM 0 HA GLU A 58 -1.881 -16.939 11.617 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -0.581 -18.212 13.201 1.00 0.00 H new ATOM 0 HB3 GLU A 58 0.311 -16.863 12.528 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -0.084 -15.572 14.656 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -0.910 -16.965 15.326 1.00 0.00 H new ATOM 947 N ASN A 59 -3.272 -18.278 13.474 1.00 0.00 N ATOM 948 CA ASN A 59 -4.469 -18.824 14.055 1.00 0.00 C ATOM 949 C ASN A 59 -4.357 -19.034 15.535 1.00 0.00 C ATOM 950 O ASN A 59 -5.379 -19.206 16.201 1.00 0.00 O ATOM 951 CB ASN A 59 -4.855 -20.190 13.458 1.00 0.00 C ATOM 952 CG ASN A 59 -5.212 -20.019 11.981 1.00 0.00 C ATOM 953 OD1 ASN A 59 -4.343 -19.888 11.111 1.00 0.00 O ATOM 954 ND2 ASN A 59 -6.552 -20.036 11.706 1.00 0.00 N ATOM 0 H ASN A 59 -2.667 -18.981 13.050 1.00 0.00 H new ATOM 0 HA ASN A 59 -5.228 -18.075 13.829 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -4.028 -20.892 13.564 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -5.701 -20.610 14.001 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -6.876 -19.938 10.744 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -7.227 -20.147 12.463 1.00 0.00 H new ATOM 961 N LYS A 60 -3.122 -19.044 16.082 1.00 0.00 N ATOM 962 CA LYS A 60 -2.908 -19.396 17.458 1.00 0.00 C ATOM 963 C LYS A 60 -3.177 -18.253 18.382 1.00 0.00 C ATOM 964 O LYS A 60 -3.569 -18.472 19.527 1.00 0.00 O ATOM 965 CB LYS A 60 -1.478 -19.879 17.758 1.00 0.00 C ATOM 966 CG LYS A 60 -1.108 -21.161 17.000 1.00 0.00 C ATOM 967 CD LYS A 60 0.176 -21.830 17.516 1.00 0.00 C ATOM 968 CE LYS A 60 1.450 -21.016 17.270 1.00 0.00 C ATOM 969 NZ LYS A 60 2.628 -21.737 17.802 1.00 0.00 N ATOM 0 H LYS A 60 -2.271 -18.808 15.571 1.00 0.00 H new ATOM 0 HA LYS A 60 -3.611 -20.211 17.627 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -0.772 -19.091 17.496 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -1.377 -20.054 18.829 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -1.933 -21.869 17.076 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -0.986 -20.926 15.943 1.00 0.00 H new ATOM 0 HD2 LYS A 60 0.074 -22.010 18.586 1.00 0.00 H new ATOM 0 HD3 LYS A 60 0.282 -22.804 17.038 1.00 0.00 H new ATOM 0 HE2 LYS A 60 1.576 -20.837 16.202 1.00 0.00 H new ATOM 0 HE3 LYS A 60 1.365 -20.040 17.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 3.486 -21.175 17.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 2.511 -21.886 18.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 2.716 -22.658 17.326 1.00 0.00 H new ATOM 983 N ASN A 61 -2.949 -17.012 17.909 1.00 0.00 N ATOM 984 CA ASN A 61 -3.067 -15.851 18.745 1.00 0.00 C ATOM 985 C ASN A 61 -3.923 -14.862 18.014 1.00 0.00 C ATOM 986 O ASN A 61 -3.716 -13.653 18.075 1.00 0.00 O ATOM 987 CB ASN A 61 -1.682 -15.275 19.114 1.00 0.00 C ATOM 988 CG ASN A 61 -1.797 -14.235 20.231 1.00 0.00 C ATOM 989 OD1 ASN A 61 -2.412 -14.481 21.274 1.00 0.00 O ATOM 990 ND2 ASN A 61 -1.165 -13.047 19.984 1.00 0.00 N ATOM 0 H ASN A 61 -2.682 -16.811 16.945 1.00 0.00 H new ATOM 0 HA ASN A 61 -3.533 -16.107 19.696 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -1.022 -16.082 19.431 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -1.228 -14.819 18.234 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -1.186 -12.304 20.682 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -0.673 -12.905 19.102 1.00 0.00 H new ATOM 997 N GLY A 62 -4.953 -15.367 17.315 1.00 0.00 N ATOM 998 CA GLY A 62 -5.925 -14.496 16.729 1.00 0.00 C ATOM 999 C GLY A 62 -6.800 -15.362 15.895 1.00 0.00 C ATOM 1000 O GLY A 62 -6.314 -16.147 15.086 1.00 0.00 O ATOM 0 H GLY A 62 -5.113 -16.362 17.156 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.503 -13.982 17.498 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.445 -13.727 16.123 1.00 0.00 H new ATOM 1004 N ASN A 63 -8.127 -15.251 16.104 1.00 0.00 N ATOM 1005 CA ASN A 63 -9.082 -16.138 15.504 1.00 0.00 C ATOM 1006 C ASN A 63 -9.734 -15.357 14.400 1.00 0.00 C ATOM 1007 O ASN A 63 -9.705 -14.129 14.477 1.00 0.00 O ATOM 1008 CB ASN A 63 -10.129 -16.666 16.519 1.00 0.00 C ATOM 1009 CG ASN A 63 -10.707 -15.548 17.393 1.00 0.00 C ATOM 1010 OD1 ASN A 63 -11.742 -14.954 17.069 1.00 0.00 O ATOM 1011 ND2 ASN A 63 -10.028 -15.306 18.558 1.00 0.00 N ATOM 0 H ASN A 63 -8.544 -14.535 16.698 1.00 0.00 H new ATOM 0 HA ASN A 63 -8.585 -17.032 15.126 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -10.939 -17.158 15.980 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -9.666 -17.420 17.156 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -10.372 -14.603 19.212 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -9.178 -15.829 18.771 1.00 0.00 H new ATOM 1018 N PRO A 64 -10.298 -15.984 13.369 1.00 0.00 N ATOM 1019 CA PRO A 64 -10.822 -15.281 12.231 1.00 0.00 C ATOM 1020 C PRO A 64 -12.126 -14.679 12.650 1.00 0.00 C ATOM 1021 O PRO A 64 -13.030 -15.396 13.079 1.00 0.00 O ATOM 1022 CB PRO A 64 -10.998 -16.342 11.142 1.00 0.00 C ATOM 1023 CG PRO A 64 -11.044 -17.678 11.887 1.00 0.00 C ATOM 1024 CD PRO A 64 -10.191 -17.414 13.127 1.00 0.00 C ATOM 0 HA PRO A 64 -10.183 -14.479 11.860 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -11.914 -16.176 10.575 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -10.173 -16.316 10.430 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -12.064 -17.957 12.152 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -10.638 -18.490 11.284 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -10.552 -17.986 13.982 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -9.155 -17.708 12.962 1.00 0.00 H new ATOM 1032 N HIS A 65 -12.213 -13.342 12.521 1.00 0.00 N ATOM 1033 CA HIS A 65 -13.371 -12.584 12.864 1.00 0.00 C ATOM 1034 C HIS A 65 -13.998 -12.184 11.574 1.00 0.00 C ATOM 1035 O HIS A 65 -13.329 -11.599 10.725 1.00 0.00 O ATOM 1036 CB HIS A 65 -12.993 -11.302 13.629 1.00 0.00 C ATOM 1037 CG HIS A 65 -14.125 -10.336 13.806 1.00 0.00 C ATOM 1038 ND1 HIS A 65 -15.241 -10.621 14.546 1.00 0.00 N ATOM 1039 CD2 HIS A 65 -14.279 -9.085 13.315 1.00 0.00 C ATOM 1040 CE1 HIS A 65 -16.050 -9.571 14.500 1.00 0.00 C ATOM 1041 NE2 HIS A 65 -15.489 -8.624 13.759 1.00 0.00 N ATOM 0 H HIS A 65 -11.447 -12.771 12.164 1.00 0.00 H new ATOM 0 HA HIS A 65 -14.032 -13.175 13.498 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -12.609 -11.578 14.611 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -12.183 -10.802 13.099 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -13.579 -8.550 12.690 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -17.011 -9.498 14.987 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -15.891 -7.709 13.555 1.00 0.00 H new ATOM 1050 N ARG A 66 -15.312 -12.475 11.440 1.00 0.00 N ATOM 1051 CA ARG A 66 -16.164 -12.017 10.372 1.00 0.00 C ATOM 1052 C ARG A 66 -15.724 -12.546 9.030 1.00 0.00 C ATOM 1053 O ARG A 66 -15.956 -13.713 8.718 1.00 0.00 O ATOM 1054 CB ARG A 66 -16.359 -10.480 10.369 1.00 0.00 C ATOM 1055 CG ARG A 66 -17.576 -10.000 9.557 1.00 0.00 C ATOM 1056 CD ARG A 66 -17.713 -8.472 9.524 1.00 0.00 C ATOM 1057 NE ARG A 66 -16.500 -7.897 8.863 1.00 0.00 N ATOM 1058 CZ ARG A 66 -16.399 -7.753 7.507 1.00 0.00 C ATOM 1059 NH1 ARG A 66 -17.436 -8.087 6.686 1.00 0.00 N ATOM 1060 NH2 ARG A 66 -15.237 -7.278 6.968 1.00 0.00 N ATOM 0 H ARG A 66 -15.807 -13.061 12.112 1.00 0.00 H new ATOM 0 HA ARG A 66 -17.150 -12.438 10.568 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -16.464 -10.136 11.398 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -15.461 -10.012 9.967 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -17.494 -10.374 8.536 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -18.482 -10.431 9.983 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -18.612 -8.185 8.979 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -17.814 -8.079 10.536 1.00 0.00 H new ATOM 0 HE ARG A 66 -15.718 -7.601 9.447 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -18.303 -8.450 7.082 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -17.344 -7.973 5.677 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -14.455 -7.035 7.576 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -15.151 -7.167 5.958 1.00 0.00 H new ATOM 1074 N GLU A 67 -15.103 -11.679 8.200 1.00 0.00 N ATOM 1075 CA GLU A 67 -14.707 -11.991 6.863 1.00 0.00 C ATOM 1076 C GLU A 67 -13.375 -11.351 6.706 1.00 0.00 C ATOM 1077 O GLU A 67 -13.277 -10.156 6.427 1.00 0.00 O ATOM 1078 CB GLU A 67 -15.618 -11.400 5.766 1.00 0.00 C ATOM 1079 CG GLU A 67 -17.010 -12.039 5.693 1.00 0.00 C ATOM 1080 CD GLU A 67 -17.798 -11.326 4.604 1.00 0.00 C ATOM 1081 OE1 GLU A 67 -17.363 -11.377 3.423 1.00 0.00 O ATOM 1082 OE2 GLU A 67 -18.850 -10.718 4.942 1.00 0.00 O ATOM 0 H GLU A 67 -14.870 -10.725 8.476 1.00 0.00 H new ATOM 0 HA GLU A 67 -14.737 -13.073 6.738 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -15.730 -10.330 5.940 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -15.126 -11.516 4.800 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -16.930 -13.103 5.471 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -17.520 -11.951 6.652 1.00 0.00 H new ATOM 1089 N ASN A 68 -12.323 -12.179 6.886 1.00 0.00 N ATOM 1090 CA ASN A 68 -10.911 -11.922 6.673 1.00 0.00 C ATOM 1091 C ASN A 68 -10.328 -10.870 7.579 1.00 0.00 C ATOM 1092 O ASN A 68 -9.326 -10.239 7.245 1.00 0.00 O ATOM 1093 CB ASN A 68 -10.438 -11.762 5.191 1.00 0.00 C ATOM 1094 CG ASN A 68 -11.070 -10.600 4.405 1.00 0.00 C ATOM 1095 OD1 ASN A 68 -12.011 -10.816 3.631 1.00 0.00 O ATOM 1096 ND2 ASN A 68 -10.526 -9.361 4.592 1.00 0.00 N ATOM 0 H ASN A 68 -12.473 -13.132 7.216 1.00 0.00 H new ATOM 0 HA ASN A 68 -10.478 -12.875 6.977 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -9.356 -11.631 5.188 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -10.648 -12.691 4.661 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -10.895 -8.559 4.081 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -9.750 -9.238 5.243 1.00 0.00 H new ATOM 1103 N LEU A 69 -10.927 -10.694 8.775 1.00 0.00 N ATOM 1104 CA LEU A 69 -10.387 -9.834 9.784 1.00 0.00 C ATOM 1105 C LEU A 69 -9.890 -10.787 10.804 1.00 0.00 C ATOM 1106 O LEU A 69 -10.183 -11.979 10.733 1.00 0.00 O ATOM 1107 CB LEU A 69 -11.417 -8.894 10.436 1.00 0.00 C ATOM 1108 CG LEU A 69 -12.270 -8.084 9.437 1.00 0.00 C ATOM 1109 CD1 LEU A 69 -13.330 -7.269 10.197 1.00 0.00 C ATOM 1110 CD2 LEU A 69 -11.423 -7.184 8.518 1.00 0.00 C ATOM 0 H LEU A 69 -11.796 -11.155 9.043 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.639 -9.167 9.355 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -12.082 -9.486 11.065 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -10.892 -8.200 11.092 1.00 0.00 H new ATOM 0 HG LEU A 69 -12.769 -8.796 8.779 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -13.929 -6.699 9.487 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -13.976 -7.945 10.757 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -12.837 -6.584 10.887 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -12.078 -6.640 7.838 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.858 -6.475 9.123 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -10.733 -7.800 7.942 1.00 0.00 H new ATOM 1122 N ARG A 70 -9.100 -10.289 11.767 1.00 0.00 N ATOM 1123 CA ARG A 70 -8.492 -11.149 12.740 1.00 0.00 C ATOM 1124 C ARG A 70 -8.519 -10.403 14.022 1.00 0.00 C ATOM 1125 O ARG A 70 -7.871 -9.366 14.149 1.00 0.00 O ATOM 1126 CB ARG A 70 -7.016 -11.465 12.438 1.00 0.00 C ATOM 1127 CG ARG A 70 -6.784 -12.489 11.318 1.00 0.00 C ATOM 1128 CD ARG A 70 -7.021 -13.928 11.771 1.00 0.00 C ATOM 1129 NE ARG A 70 -6.692 -14.819 10.624 1.00 0.00 N ATOM 1130 CZ ARG A 70 -6.563 -16.165 10.810 1.00 0.00 C ATOM 1131 NH1 ARG A 70 -6.746 -16.706 12.047 1.00 0.00 N ATOM 1132 NH2 ARG A 70 -6.245 -16.971 9.756 1.00 0.00 N ATOM 0 H ARG A 70 -8.880 -9.299 11.876 1.00 0.00 H new ATOM 0 HA ARG A 70 -9.036 -12.094 12.751 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.509 -10.537 12.171 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -6.546 -11.834 13.349 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -7.446 -12.263 10.482 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -5.762 -12.393 10.950 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -6.397 -14.166 12.633 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -8.057 -14.067 12.079 1.00 0.00 H new ATOM 0 HE ARG A 70 -6.562 -14.421 9.694 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -6.980 -16.105 12.837 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -6.649 -17.712 12.183 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -6.104 -16.568 8.830 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -6.148 -17.977 9.894 1.00 0.00 H new ATOM 1146 N ILE A 71 -9.275 -10.939 15.003 1.00 0.00 N ATOM 1147 CA ILE A 71 -9.368 -10.333 16.297 1.00 0.00 C ATOM 1148 C ILE A 71 -8.375 -11.062 17.137 1.00 0.00 C ATOM 1149 O ILE A 71 -8.223 -12.274 17.011 1.00 0.00 O ATOM 1150 CB ILE A 71 -10.777 -10.371 16.876 1.00 0.00 C ATOM 1151 CG1 ILE A 71 -10.913 -9.454 18.110 1.00 0.00 C ATOM 1152 CG2 ILE A 71 -11.255 -11.809 17.156 1.00 0.00 C ATOM 1153 CD1 ILE A 71 -12.375 -9.159 18.459 1.00 0.00 C ATOM 0 H ILE A 71 -9.822 -11.793 14.898 1.00 0.00 H new ATOM 0 HA ILE A 71 -9.148 -9.266 16.252 1.00 0.00 H new ATOM 0 HB ILE A 71 -11.445 -9.972 16.113 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -10.426 -9.924 18.964 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -10.391 -8.516 17.922 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -12.264 -11.783 17.568 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -11.256 -12.379 16.227 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -10.583 -12.283 17.872 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -12.416 -8.510 19.334 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -12.857 -8.663 17.617 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -12.893 -10.093 18.675 1.00 0.00 H new ATOM 1165 N SER A 72 -7.654 -10.318 17.998 1.00 0.00 N ATOM 1166 CA SER A 72 -6.574 -10.879 18.761 1.00 0.00 C ATOM 1167 C SER A 72 -7.066 -11.599 19.974 1.00 0.00 C ATOM 1168 O SER A 72 -8.211 -11.444 20.395 1.00 0.00 O ATOM 1169 CB SER A 72 -5.576 -9.820 19.246 1.00 0.00 C ATOM 1170 OG SER A 72 -6.154 -8.948 20.196 1.00 0.00 O ATOM 0 H SER A 72 -7.818 -9.326 18.168 1.00 0.00 H new ATOM 0 HA SER A 72 -6.079 -11.567 18.075 1.00 0.00 H new ATOM 0 HB2 SER A 72 -4.709 -10.313 19.686 1.00 0.00 H new ATOM 0 HB3 SER A 72 -5.217 -9.242 18.394 1.00 0.00 H new ATOM 0 HG SER A 72 -5.454 -8.394 20.600 1.00 0.00 H new ATOM 1176 N LYS A 73 -6.162 -12.415 20.562 1.00 0.00 N ATOM 1177 CA LYS A 73 -6.440 -13.150 21.762 1.00 0.00 C ATOM 1178 C LYS A 73 -5.542 -12.636 22.841 1.00 0.00 C ATOM 1179 O LYS A 73 -5.744 -12.952 24.012 1.00 0.00 O ATOM 1180 CB LYS A 73 -6.169 -14.659 21.632 1.00 0.00 C ATOM 1181 CG LYS A 73 -7.037 -15.353 20.575 1.00 0.00 C ATOM 1182 CD LYS A 73 -6.761 -16.859 20.500 1.00 0.00 C ATOM 1183 CE LYS A 73 -7.454 -17.558 19.328 1.00 0.00 C ATOM 1184 NZ LYS A 73 -7.046 -18.978 19.265 1.00 0.00 N ATOM 0 H LYS A 73 -5.222 -12.565 20.196 1.00 0.00 H new ATOM 0 HA LYS A 73 -7.499 -13.014 21.980 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -5.119 -14.810 21.383 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -6.339 -15.134 22.598 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -8.089 -15.189 20.806 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -6.851 -14.902 19.600 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -5.686 -17.018 20.421 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -7.084 -17.325 21.431 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -8.536 -17.488 19.442 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -7.199 -17.057 18.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -7.523 -19.441 18.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -6.016 -19.038 19.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -7.312 -19.455 20.150 1.00 0.00 H new ATOM 1198 N SER A 74 -4.518 -11.837 22.463 1.00 0.00 N ATOM 1199 CA SER A 74 -3.588 -11.273 23.392 1.00 0.00 C ATOM 1200 C SER A 74 -3.782 -9.807 23.281 1.00 0.00 C ATOM 1201 O SER A 74 -3.153 -9.148 22.459 1.00 0.00 O ATOM 1202 CB SER A 74 -2.116 -11.600 23.092 1.00 0.00 C ATOM 1203 OG SER A 74 -1.268 -10.955 24.032 1.00 0.00 O ATOM 0 H SER A 74 -4.337 -11.581 21.492 1.00 0.00 H new ATOM 0 HA SER A 74 -3.778 -11.684 24.383 1.00 0.00 H new ATOM 0 HB2 SER A 74 -1.960 -12.678 23.131 1.00 0.00 H new ATOM 0 HB3 SER A 74 -1.863 -11.278 22.082 1.00 0.00 H new ATOM 0 HG SER A 74 -0.333 -11.172 23.832 1.00 0.00 H new ATOM 1209 N SER A 75 -4.698 -9.310 24.133 1.00 0.00 N ATOM 1210 CA SER A 75 -5.082 -7.930 24.304 1.00 0.00 C ATOM 1211 C SER A 75 -3.920 -7.000 24.482 1.00 0.00 C ATOM 1212 O SER A 75 -3.000 -7.259 25.258 1.00 0.00 O ATOM 1213 CB SER A 75 -5.986 -7.733 25.531 1.00 0.00 C ATOM 1214 OG SER A 75 -7.172 -8.499 25.391 1.00 0.00 O ATOM 0 H SER A 75 -5.218 -9.924 24.759 1.00 0.00 H new ATOM 0 HA SER A 75 -5.607 -7.689 23.379 1.00 0.00 H new ATOM 0 HB2 SER A 75 -5.455 -8.032 26.435 1.00 0.00 H new ATOM 0 HB3 SER A 75 -6.236 -6.678 25.642 1.00 0.00 H new ATOM 0 HG SER A 75 -7.741 -8.368 26.178 1.00 0.00 H new ATOM 1220 N PHE A 76 -3.966 -5.882 23.726 1.00 0.00 N ATOM 1221 CA PHE A 76 -2.893 -4.932 23.644 1.00 0.00 C ATOM 1222 C PHE A 76 -3.357 -3.711 24.336 1.00 0.00 C ATOM 1223 O PHE A 76 -4.561 -3.490 24.459 1.00 0.00 O ATOM 1224 CB PHE A 76 -2.584 -4.482 22.200 1.00 0.00 C ATOM 1225 CG PHE A 76 -2.106 -5.620 21.364 1.00 0.00 C ATOM 1226 CD1 PHE A 76 -3.026 -6.471 20.790 1.00 0.00 C ATOM 1227 CD2 PHE A 76 -0.758 -5.812 21.100 1.00 0.00 C ATOM 1228 CE1 PHE A 76 -2.614 -7.533 20.031 1.00 0.00 C ATOM 1229 CE2 PHE A 76 -0.339 -6.879 20.327 1.00 0.00 C ATOM 1230 CZ PHE A 76 -1.273 -7.762 19.826 1.00 0.00 C ATOM 0 H PHE A 76 -4.774 -5.632 23.155 1.00 0.00 H new ATOM 0 HA PHE A 76 -2.005 -5.402 24.067 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -3.480 -4.051 21.752 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -1.827 -3.698 22.216 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -4.081 -6.298 20.940 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -0.030 -5.123 21.501 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -3.345 -8.195 19.591 1.00 0.00 H new ATOM 0 HE2 PHE A 76 0.711 -7.020 20.117 1.00 0.00 H new ATOM 0 HZ PHE A 76 -0.952 -8.632 19.273 1.00 0.00 H new ATOM 1240 N GLN A 77 -2.391 -2.880 24.789 1.00 0.00 N ATOM 1241 CA GLN A 77 -2.736 -1.634 25.395 1.00 0.00 C ATOM 1242 C GLN A 77 -3.004 -0.674 24.312 1.00 0.00 C ATOM 1243 O GLN A 77 -2.453 -0.785 23.222 1.00 0.00 O ATOM 1244 CB GLN A 77 -1.721 -1.052 26.405 1.00 0.00 C ATOM 1245 CG GLN A 77 -0.875 -2.058 27.188 1.00 0.00 C ATOM 1246 CD GLN A 77 -0.283 -1.292 28.369 1.00 0.00 C ATOM 1247 OE1 GLN A 77 0.862 -0.831 28.334 1.00 0.00 O ATOM 1248 NE2 GLN A 77 -1.129 -1.158 29.437 1.00 0.00 N ATOM 0 H GLN A 77 -1.390 -3.071 24.735 1.00 0.00 H new ATOM 0 HA GLN A 77 -3.612 -1.825 26.015 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -1.046 -0.388 25.865 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -2.267 -0.438 27.120 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -1.484 -2.894 27.533 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -0.087 -2.475 26.561 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -2.064 -1.564 29.401 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -0.824 -0.652 30.269 1.00 0.00 H new ATOM 1257 N VAL A 78 -3.911 0.277 24.586 1.00 0.00 N ATOM 1258 CA VAL A 78 -4.468 1.087 23.549 1.00 0.00 C ATOM 1259 C VAL A 78 -4.589 2.454 24.146 1.00 0.00 C ATOM 1260 O VAL A 78 -4.924 2.602 25.317 1.00 0.00 O ATOM 1261 CB VAL A 78 -5.811 0.488 23.150 1.00 0.00 C ATOM 1262 CG1 VAL A 78 -6.923 1.518 22.862 1.00 0.00 C ATOM 1263 CG2 VAL A 78 -5.534 -0.443 21.955 1.00 0.00 C ATOM 0 H VAL A 78 -4.259 0.486 25.522 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.866 1.136 22.642 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.222 -0.063 23.996 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -7.840 0.996 22.587 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -7.102 2.119 23.753 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.614 2.167 22.042 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.467 -0.901 21.627 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -5.105 0.134 21.136 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.833 -1.222 22.255 1.00 0.00 H new ATOM 1273 N THR A 79 -4.313 3.502 23.347 1.00 0.00 N ATOM 1274 CA THR A 79 -4.684 4.835 23.727 1.00 0.00 C ATOM 1275 C THR A 79 -5.288 5.386 22.486 1.00 0.00 C ATOM 1276 O THR A 79 -4.590 5.710 21.526 1.00 0.00 O ATOM 1277 CB THR A 79 -3.555 5.714 24.218 1.00 0.00 C ATOM 1278 OG1 THR A 79 -3.009 5.174 25.412 1.00 0.00 O ATOM 1279 CG2 THR A 79 -4.071 7.127 24.543 1.00 0.00 C ATOM 0 H THR A 79 -3.838 3.430 22.447 1.00 0.00 H new ATOM 0 HA THR A 79 -5.350 4.810 24.590 1.00 0.00 H new ATOM 0 HB THR A 79 -2.802 5.761 23.432 1.00 0.00 H new ATOM 0 HG1 THR A 79 -2.336 4.498 25.187 1.00 0.00 H new ATOM 0 HG21 THR A 79 -3.244 7.744 24.895 1.00 0.00 H new ATOM 0 HG22 THR A 79 -4.501 7.573 23.646 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.834 7.066 25.319 1.00 0.00 H new ATOM 1287 N THR A 80 -6.631 5.477 22.501 1.00 0.00 N ATOM 1288 CA THR A 80 -7.399 5.965 21.397 1.00 0.00 C ATOM 1289 C THR A 80 -7.447 7.449 21.522 1.00 0.00 C ATOM 1290 O THR A 80 -8.186 7.988 22.343 1.00 0.00 O ATOM 1291 CB THR A 80 -8.797 5.397 21.391 1.00 0.00 C ATOM 1292 OG1 THR A 80 -8.721 3.981 21.392 1.00 0.00 O ATOM 1293 CG2 THR A 80 -9.565 5.854 20.142 1.00 0.00 C ATOM 0 H THR A 80 -7.198 5.203 23.303 1.00 0.00 H new ATOM 0 HA THR A 80 -6.935 5.659 20.460 1.00 0.00 H new ATOM 0 HB THR A 80 -9.323 5.753 22.277 1.00 0.00 H new ATOM 0 HG1 THR A 80 -8.423 3.669 20.512 1.00 0.00 H new ATOM 0 HG21 THR A 80 -10.570 5.433 20.159 1.00 0.00 H new ATOM 0 HG22 THR A 80 -9.628 6.942 20.131 1.00 0.00 H new ATOM 0 HG23 THR A 80 -9.043 5.512 19.248 1.00 0.00 H new ATOM 1301 N CYS A 81 -6.651 8.143 20.686 1.00 0.00 N ATOM 1302 CA CYS A 81 -6.633 9.573 20.666 1.00 0.00 C ATOM 1303 C CYS A 81 -7.769 9.997 19.802 1.00 0.00 C ATOM 1304 O CYS A 81 -7.784 9.722 18.604 1.00 0.00 O ATOM 1305 CB CYS A 81 -5.340 10.142 20.065 1.00 0.00 C ATOM 1306 SG CYS A 81 -3.870 9.583 20.976 1.00 0.00 S ATOM 0 H CYS A 81 -6.015 7.708 20.018 1.00 0.00 H new ATOM 0 HA CYS A 81 -6.704 9.941 21.690 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -5.259 9.837 19.022 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -5.382 11.231 20.076 1.00 0.00 H new ATOM 1311 N LYS A 82 -8.756 10.670 20.420 1.00 0.00 N ATOM 1312 CA LYS A 82 -9.970 11.025 19.753 1.00 0.00 C ATOM 1313 C LYS A 82 -9.911 12.502 19.633 1.00 0.00 C ATOM 1314 O LYS A 82 -9.418 13.181 20.526 1.00 0.00 O ATOM 1315 CB LYS A 82 -11.229 10.621 20.538 1.00 0.00 C ATOM 1316 CG LYS A 82 -12.537 10.860 19.772 1.00 0.00 C ATOM 1317 CD LYS A 82 -13.751 10.300 20.515 1.00 0.00 C ATOM 1318 CE LYS A 82 -15.060 10.474 19.743 1.00 0.00 C ATOM 1319 NZ LYS A 82 -16.182 9.882 20.504 1.00 0.00 N ATOM 0 H LYS A 82 -8.711 10.971 21.393 1.00 0.00 H new ATOM 0 HA LYS A 82 -10.045 10.507 18.797 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -11.160 9.565 20.800 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -11.258 11.180 21.473 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -12.672 11.930 19.612 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -12.470 10.397 18.788 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -13.591 9.240 20.713 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -13.838 10.795 21.482 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -15.249 11.533 19.566 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -14.981 9.997 18.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -17.066 10.006 19.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -16.005 8.868 20.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -16.264 10.356 21.426 1.00 0.00 H new ATOM 1333 N LEU A 83 -10.395 13.020 18.495 1.00 0.00 N ATOM 1334 CA LEU A 83 -10.170 14.373 18.098 1.00 0.00 C ATOM 1335 C LEU A 83 -11.320 15.178 18.583 1.00 0.00 C ATOM 1336 O LEU A 83 -12.478 14.775 18.489 1.00 0.00 O ATOM 1337 CB LEU A 83 -10.107 14.362 16.553 1.00 0.00 C ATOM 1338 CG LEU A 83 -9.881 15.632 15.695 1.00 0.00 C ATOM 1339 CD1 LEU A 83 -11.175 16.351 15.284 1.00 0.00 C ATOM 1340 CD2 LEU A 83 -8.839 16.623 16.212 1.00 0.00 C ATOM 0 H LEU A 83 -10.957 12.486 17.833 1.00 0.00 H new ATOM 0 HA LEU A 83 -9.252 14.798 18.504 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -9.313 13.665 16.284 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -11.045 13.924 16.211 1.00 0.00 H new ATOM 0 HG LEU A 83 -9.440 15.204 14.795 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -10.929 17.229 14.686 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -11.796 15.675 14.697 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -11.719 16.660 16.177 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -8.771 17.469 15.528 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -9.133 16.978 17.200 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -7.869 16.130 16.278 1.00 0.00 H new ATOM 1352 N HIS A 84 -10.978 16.355 19.134 1.00 0.00 N ATOM 1353 CA HIS A 84 -11.911 17.238 19.752 1.00 0.00 C ATOM 1354 C HIS A 84 -11.481 18.605 19.354 1.00 0.00 C ATOM 1355 O HIS A 84 -10.430 18.777 18.739 1.00 0.00 O ATOM 1356 CB HIS A 84 -11.860 17.101 21.279 1.00 0.00 C ATOM 1357 CG HIS A 84 -12.384 15.768 21.720 1.00 0.00 C ATOM 1358 ND1 HIS A 84 -13.720 15.475 21.737 1.00 0.00 N ATOM 1359 CD2 HIS A 84 -11.724 14.639 22.061 1.00 0.00 C ATOM 1360 CE1 HIS A 84 -13.865 14.204 22.089 1.00 0.00 C ATOM 1361 NE2 HIS A 84 -12.667 13.674 22.292 1.00 0.00 N ATOM 0 H HIS A 84 -10.019 16.702 19.149 1.00 0.00 H new ATOM 0 HA HIS A 84 -12.933 17.018 19.444 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -10.833 17.224 21.624 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -12.448 17.896 21.738 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -10.653 14.520 22.137 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -14.807 13.685 22.193 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -12.480 12.711 22.572 1.00 0.00 H new ATOM 1370 N GLY A 85 -12.310 19.607 19.697 1.00 0.00 N ATOM 1371 CA GLY A 85 -12.071 20.966 19.307 1.00 0.00 C ATOM 1372 C GLY A 85 -13.133 21.308 18.329 1.00 0.00 C ATOM 1373 O GLY A 85 -14.214 21.762 18.705 1.00 0.00 O ATOM 0 H GLY A 85 -13.156 19.475 20.251 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -12.108 21.631 20.170 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -11.082 21.075 18.862 1.00 0.00 H new ATOM 1377 N GLY A 86 -12.837 21.084 17.037 1.00 0.00 N ATOM 1378 CA GLY A 86 -13.794 21.349 16.005 1.00 0.00 C ATOM 1379 C GLY A 86 -13.072 21.757 14.766 1.00 0.00 C ATOM 1380 O GLY A 86 -13.686 21.839 13.703 1.00 0.00 O ATOM 0 H GLY A 86 -11.942 20.722 16.707 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -14.397 20.461 15.814 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -14.478 22.138 16.319 1.00 0.00 H new ATOM 1384 N SER A 87 -11.754 22.032 14.884 1.00 0.00 N ATOM 1385 CA SER A 87 -10.953 22.436 13.764 1.00 0.00 C ATOM 1386 C SER A 87 -10.609 21.210 12.950 1.00 0.00 C ATOM 1387 O SER A 87 -10.224 20.202 13.543 1.00 0.00 O ATOM 1388 CB SER A 87 -9.640 23.119 14.192 1.00 0.00 C ATOM 1389 OG SER A 87 -8.929 22.312 15.119 1.00 0.00 O ATOM 0 H SER A 87 -11.241 21.973 15.764 1.00 0.00 H new ATOM 0 HA SER A 87 -11.532 23.157 13.187 1.00 0.00 H new ATOM 0 HB2 SER A 87 -9.020 23.306 13.315 1.00 0.00 H new ATOM 0 HB3 SER A 87 -9.859 24.088 14.640 1.00 0.00 H new ATOM 0 HG SER A 87 -8.488 21.578 14.643 1.00 0.00 H new ATOM 1395 N PRO A 88 -10.712 21.223 11.623 1.00 0.00 N ATOM 1396 CA PRO A 88 -10.259 20.119 10.819 1.00 0.00 C ATOM 1397 C PRO A 88 -8.778 20.235 10.664 1.00 0.00 C ATOM 1398 O PRO A 88 -8.127 19.211 10.484 1.00 0.00 O ATOM 1399 CB PRO A 88 -10.911 20.317 9.447 1.00 0.00 C ATOM 1400 CG PRO A 88 -12.093 21.250 9.707 1.00 0.00 C ATOM 1401 CD PRO A 88 -11.607 22.097 10.881 1.00 0.00 C ATOM 0 HA PRO A 88 -10.508 19.152 11.256 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -10.211 20.755 8.736 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -11.242 19.368 9.026 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -12.324 21.862 8.835 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -12.998 20.696 9.956 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -11.090 22.992 10.536 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -12.440 22.429 11.501 1.00 0.00 H new ATOM 1409 N TRP A 89 -8.249 21.471 10.672 1.00 0.00 N ATOM 1410 CA TRP A 89 -6.895 21.740 10.301 1.00 0.00 C ATOM 1411 C TRP A 89 -6.069 21.820 11.548 1.00 0.00 C ATOM 1412 O TRP A 89 -6.636 22.126 12.597 1.00 0.00 O ATOM 1413 CB TRP A 89 -6.808 23.069 9.536 1.00 0.00 C ATOM 1414 CG TRP A 89 -7.718 23.048 8.334 1.00 0.00 C ATOM 1415 CD1 TRP A 89 -8.909 23.686 8.141 1.00 0.00 C ATOM 1416 CD2 TRP A 89 -7.505 22.222 7.178 1.00 0.00 C ATOM 1417 NE1 TRP A 89 -9.447 23.316 6.932 1.00 0.00 N ATOM 1418 CE2 TRP A 89 -8.594 22.413 6.331 1.00 0.00 C ATOM 1419 CE3 TRP A 89 -6.491 21.364 6.855 1.00 0.00 C ATOM 1420 CZ2 TRP A 89 -8.686 21.750 5.141 1.00 0.00 C ATOM 1421 CZ3 TRP A 89 -6.583 20.695 5.651 1.00 0.00 C ATOM 1422 CH2 TRP A 89 -7.663 20.884 4.809 1.00 0.00 C ATOM 0 H TRP A 89 -8.774 22.303 10.942 1.00 0.00 H new ATOM 0 HA TRP A 89 -6.526 20.944 9.654 1.00 0.00 H new ATOM 0 HB2 TRP A 89 -7.084 23.893 10.194 1.00 0.00 H new ATOM 0 HB3 TRP A 89 -5.780 23.246 9.218 1.00 0.00 H new ATOM 0 HD1 TRP A 89 -9.361 24.379 8.835 1.00 0.00 H new ATOM 0 HE1 TRP A 89 -10.328 23.652 6.544 1.00 0.00 H new ATOM 0 HE3 TRP A 89 -5.650 21.215 7.516 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 -9.529 21.898 4.483 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 -5.798 20.012 5.362 1.00 0.00 H new ATOM 0 HH2 TRP A 89 -7.707 20.344 3.874 1.00 0.00 H new ATOM 1433 N PRO A 90 -4.764 21.564 11.502 1.00 0.00 N ATOM 1434 CA PRO A 90 -3.951 21.501 12.687 1.00 0.00 C ATOM 1435 C PRO A 90 -3.677 22.926 13.126 1.00 0.00 C ATOM 1436 O PRO A 90 -3.619 23.774 12.235 1.00 0.00 O ATOM 1437 CB PRO A 90 -2.659 20.802 12.252 1.00 0.00 C ATOM 1438 CG PRO A 90 -2.620 20.936 10.729 1.00 0.00 C ATOM 1439 CD PRO A 90 -4.098 20.979 10.351 1.00 0.00 C ATOM 0 HA PRO A 90 -4.416 20.967 13.516 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -1.787 21.268 12.710 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -2.657 19.755 12.555 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -2.097 21.840 10.417 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -2.108 20.094 10.263 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -4.259 21.579 9.455 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -4.480 19.980 10.139 1.00 0.00 H new ATOM 1447 N PRO A 91 -3.485 23.269 14.397 1.00 0.00 N ATOM 1448 CA PRO A 91 -3.354 22.348 15.495 1.00 0.00 C ATOM 1449 C PRO A 91 -4.707 21.914 15.943 1.00 0.00 C ATOM 1450 O PRO A 91 -5.716 22.522 15.583 1.00 0.00 O ATOM 1451 CB PRO A 91 -2.719 23.133 16.631 1.00 0.00 C ATOM 1452 CG PRO A 91 -2.004 24.283 15.933 1.00 0.00 C ATOM 1453 CD PRO A 91 -2.880 24.549 14.708 1.00 0.00 C ATOM 0 HA PRO A 91 -2.768 21.475 15.207 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -3.470 23.497 17.332 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -2.023 22.518 17.201 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -1.932 25.161 16.575 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -0.987 24.012 15.649 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -3.638 25.303 14.921 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -2.287 24.920 13.872 1.00 0.00 H new ATOM 1461 N CYS A 92 -4.709 20.835 16.734 1.00 0.00 N ATOM 1462 CA CYS A 92 -5.905 20.118 17.053 1.00 0.00 C ATOM 1463 C CYS A 92 -5.727 19.530 18.407 1.00 0.00 C ATOM 1464 O CYS A 92 -4.646 19.055 18.754 1.00 0.00 O ATOM 1465 CB CYS A 92 -6.161 18.945 16.089 1.00 0.00 C ATOM 1466 SG CYS A 92 -7.017 19.477 14.576 1.00 0.00 S ATOM 0 H CYS A 92 -3.867 20.449 17.162 1.00 0.00 H new ATOM 0 HA CYS A 92 -6.742 20.813 16.988 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -5.211 18.481 15.823 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -6.757 18.185 16.594 1.00 0.00 H new ATOM 1471 N GLN A 93 -6.825 19.547 19.193 1.00 0.00 N ATOM 1472 CA GLN A 93 -6.849 18.943 20.490 1.00 0.00 C ATOM 1473 C GLN A 93 -7.163 17.501 20.300 1.00 0.00 C ATOM 1474 O GLN A 93 -7.978 17.140 19.455 1.00 0.00 O ATOM 1475 CB GLN A 93 -7.937 19.513 21.416 1.00 0.00 C ATOM 1476 CG GLN A 93 -7.789 21.019 21.651 1.00 0.00 C ATOM 1477 CD GLN A 93 -8.813 21.456 22.698 1.00 0.00 C ATOM 1478 OE1 GLN A 93 -8.447 22.007 23.744 1.00 0.00 O ATOM 1479 NE2 GLN A 93 -10.122 21.202 22.398 1.00 0.00 N ATOM 0 H GLN A 93 -7.705 19.986 18.923 1.00 0.00 H new ATOM 0 HA GLN A 93 -5.881 19.132 20.954 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -8.917 19.312 20.983 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -7.899 18.995 22.374 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -6.779 21.251 21.990 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -7.945 21.564 20.720 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -10.364 20.744 21.519 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -10.857 21.470 23.053 1.00 0.00 H new ATOM 1488 N TYR A 94 -6.508 16.643 21.097 1.00 0.00 N ATOM 1489 CA TYR A 94 -6.738 15.233 21.045 1.00 0.00 C ATOM 1490 C TYR A 94 -6.863 14.779 22.447 1.00 0.00 C ATOM 1491 O TYR A 94 -5.870 14.750 23.173 1.00 0.00 O ATOM 1492 CB TYR A 94 -5.562 14.431 20.489 1.00 0.00 C ATOM 1493 CG TYR A 94 -5.577 14.490 19.017 1.00 0.00 C ATOM 1494 CD1 TYR A 94 -6.450 13.664 18.350 1.00 0.00 C ATOM 1495 CD2 TYR A 94 -4.728 15.320 18.311 1.00 0.00 C ATOM 1496 CE1 TYR A 94 -6.518 13.690 16.979 1.00 0.00 C ATOM 1497 CE2 TYR A 94 -4.820 15.377 16.935 1.00 0.00 C ATOM 1498 CZ TYR A 94 -5.715 14.562 16.276 1.00 0.00 C ATOM 1499 OH TYR A 94 -5.812 14.589 14.876 1.00 0.00 O ATOM 0 H TYR A 94 -5.811 16.928 21.785 1.00 0.00 H new ATOM 0 HA TYR A 94 -7.608 15.074 20.407 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -4.623 14.832 20.870 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -5.625 13.395 20.822 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -7.085 12.991 18.907 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -3.997 15.920 18.832 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -7.196 13.032 16.455 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -4.193 16.057 16.377 1.00 0.00 H new ATOM 0 HH TYR A 94 -6.544 14.004 14.587 1.00 0.00 H new ATOM 1509 N ARG A 95 -8.090 14.392 22.844 1.00 0.00 N ATOM 1510 CA ARG A 95 -8.275 13.878 24.181 1.00 0.00 C ATOM 1511 C ARG A 95 -8.100 12.397 24.137 1.00 0.00 C ATOM 1512 O ARG A 95 -8.668 11.722 23.281 1.00 0.00 O ATOM 1513 CB ARG A 95 -9.640 14.147 24.843 1.00 0.00 C ATOM 1514 CG ARG A 95 -9.791 15.547 25.465 1.00 0.00 C ATOM 1515 CD ARG A 95 -9.911 16.688 24.453 1.00 0.00 C ATOM 1516 NE ARG A 95 -10.330 17.920 25.191 1.00 0.00 N ATOM 1517 CZ ARG A 95 -9.465 18.928 25.514 1.00 0.00 C ATOM 1518 NH1 ARG A 95 -8.149 18.871 25.164 1.00 0.00 N ATOM 1519 NH2 ARG A 95 -9.931 20.016 26.197 1.00 0.00 N ATOM 0 H ARG A 95 -8.931 14.429 22.268 1.00 0.00 H new ATOM 0 HA ARG A 95 -7.539 14.409 24.785 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -10.423 14.010 24.097 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -9.805 13.400 25.620 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -10.674 15.552 26.104 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -8.932 15.739 26.107 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -8.959 16.852 23.949 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -10.641 16.439 23.683 1.00 0.00 H new ATOM 0 HE ARG A 95 -11.308 18.012 25.466 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -7.792 18.065 24.651 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -7.521 19.634 25.415 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -10.915 20.070 26.460 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -9.295 20.774 26.443 1.00 0.00 H new ATOM 1533 N ALA A 96 -7.300 11.871 25.090 1.00 0.00 N ATOM 1534 CA ALA A 96 -7.021 10.465 25.177 1.00 0.00 C ATOM 1535 C ALA A 96 -8.149 9.746 25.832 1.00 0.00 C ATOM 1536 O ALA A 96 -8.604 10.124 26.911 1.00 0.00 O ATOM 1537 CB ALA A 96 -5.792 10.148 26.036 1.00 0.00 C ATOM 0 H ALA A 96 -6.841 12.429 25.810 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.857 10.148 24.147 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.635 9.070 26.062 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.914 10.633 25.608 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -5.952 10.516 27.050 1.00 0.00 H new ATOM 1543 N THR A 97 -8.590 8.655 25.176 1.00 0.00 N ATOM 1544 CA THR A 97 -9.518 7.713 25.726 1.00 0.00 C ATOM 1545 C THR A 97 -8.707 6.464 25.857 1.00 0.00 C ATOM 1546 O THR A 97 -8.548 5.711 24.898 1.00 0.00 O ATOM 1547 CB THR A 97 -10.713 7.480 24.832 1.00 0.00 C ATOM 1548 OG1 THR A 97 -11.317 8.729 24.528 1.00 0.00 O ATOM 1549 CG2 THR A 97 -11.746 6.579 25.533 1.00 0.00 C ATOM 0 H THR A 97 -8.290 8.421 24.230 1.00 0.00 H new ATOM 0 HA THR A 97 -9.941 8.065 26.667 1.00 0.00 H new ATOM 0 HB THR A 97 -10.378 6.988 23.919 1.00 0.00 H new ATOM 0 HG1 THR A 97 -12.092 8.584 23.946 1.00 0.00 H new ATOM 0 HG21 THR A 97 -12.600 6.423 24.873 1.00 0.00 H new ATOM 0 HG22 THR A 97 -11.289 5.618 25.770 1.00 0.00 H new ATOM 0 HG23 THR A 97 -12.081 7.058 26.453 1.00 0.00 H new ATOM 1557 N ALA A 98 -8.153 6.239 27.066 1.00 0.00 N ATOM 1558 CA ALA A 98 -7.250 5.151 27.305 1.00 0.00 C ATOM 1559 C ALA A 98 -8.025 3.890 27.513 1.00 0.00 C ATOM 1560 O ALA A 98 -9.084 3.896 28.140 1.00 0.00 O ATOM 1561 CB ALA A 98 -6.391 5.381 28.553 1.00 0.00 C ATOM 0 H ALA A 98 -8.333 6.818 27.886 1.00 0.00 H new ATOM 0 HA ALA A 98 -6.599 5.079 26.434 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -5.722 4.532 28.696 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -5.803 6.290 28.427 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -7.037 5.485 29.425 1.00 0.00 H new ATOM 1567 N GLY A 99 -7.497 2.768 26.981 1.00 0.00 N ATOM 1568 CA GLY A 99 -8.168 1.508 27.092 1.00 0.00 C ATOM 1569 C GLY A 99 -7.150 0.418 27.005 1.00 0.00 C ATOM 1570 O GLY A 99 -5.946 0.658 26.984 1.00 0.00 O ATOM 0 H GLY A 99 -6.611 2.735 26.477 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -8.707 1.448 28.038 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -8.906 1.401 26.297 1.00 0.00 H new ATOM 1574 N PHE A 100 -7.634 -0.833 26.963 1.00 0.00 N ATOM 1575 CA PHE A 100 -6.777 -1.978 26.906 1.00 0.00 C ATOM 1576 C PHE A 100 -7.706 -3.027 26.393 1.00 0.00 C ATOM 1577 O PHE A 100 -8.610 -3.454 27.111 1.00 0.00 O ATOM 1578 CB PHE A 100 -6.210 -2.357 28.300 1.00 0.00 C ATOM 1579 CG PHE A 100 -5.418 -3.621 28.256 1.00 0.00 C ATOM 1580 CD1 PHE A 100 -4.100 -3.615 27.842 1.00 0.00 C ATOM 1581 CD2 PHE A 100 -5.978 -4.810 28.691 1.00 0.00 C ATOM 1582 CE1 PHE A 100 -3.387 -4.795 27.789 1.00 0.00 C ATOM 1583 CE2 PHE A 100 -5.256 -5.985 28.661 1.00 0.00 C ATOM 1584 CZ PHE A 100 -3.959 -5.981 28.198 1.00 0.00 C ATOM 0 H PHE A 100 -8.629 -1.056 26.969 1.00 0.00 H new ATOM 0 HA PHE A 100 -5.890 -1.825 26.290 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -5.580 -1.547 28.668 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -7.032 -2.468 29.008 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -3.627 -2.686 27.560 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -6.993 -4.818 29.059 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -2.371 -4.790 27.424 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -5.707 -6.906 29.000 1.00 0.00 H new ATOM 0 HZ PHE A 100 -3.394 -6.900 28.156 1.00 0.00 H new ATOM 1594 N ARG A 101 -7.531 -3.444 25.119 1.00 0.00 N ATOM 1595 CA ARG A 101 -8.489 -4.339 24.529 1.00 0.00 C ATOM 1596 C ARG A 101 -7.854 -5.122 23.425 1.00 0.00 C ATOM 1597 O ARG A 101 -6.780 -4.783 22.933 1.00 0.00 O ATOM 1598 CB ARG A 101 -9.770 -3.650 23.992 1.00 0.00 C ATOM 1599 CG ARG A 101 -9.568 -2.584 22.896 1.00 0.00 C ATOM 1600 CD ARG A 101 -10.369 -2.833 21.605 1.00 0.00 C ATOM 1601 NE ARG A 101 -11.841 -2.649 21.831 1.00 0.00 N ATOM 1602 CZ ARG A 101 -12.732 -3.686 21.898 1.00 0.00 C ATOM 1603 NH1 ARG A 101 -12.320 -4.985 21.842 1.00 0.00 N ATOM 1604 NH2 ARG A 101 -14.065 -3.410 22.010 1.00 0.00 N ATOM 0 H ARG A 101 -6.755 -3.173 24.515 1.00 0.00 H new ATOM 0 HA ARG A 101 -8.808 -4.993 25.341 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -10.434 -4.421 23.600 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -10.284 -3.183 24.832 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -9.847 -1.610 23.299 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -8.508 -2.534 22.647 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -10.030 -2.149 20.827 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -10.178 -3.844 21.246 1.00 0.00 H new ATOM 0 HE ARG A 101 -12.197 -1.699 21.941 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -11.328 -5.202 21.748 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -13.004 -5.740 21.894 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -14.384 -2.442 22.043 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -14.741 -4.172 22.061 1.00 0.00 H new ATOM 1618 N ASN A 102 -8.547 -6.213 23.032 1.00 0.00 N ATOM 1619 CA ASN A 102 -8.150 -7.095 21.974 1.00 0.00 C ATOM 1620 C ASN A 102 -8.519 -6.474 20.668 1.00 0.00 C ATOM 1621 O ASN A 102 -9.668 -6.114 20.424 1.00 0.00 O ATOM 1622 CB ASN A 102 -8.761 -8.511 22.094 1.00 0.00 C ATOM 1623 CG ASN A 102 -10.226 -8.492 22.546 1.00 0.00 C ATOM 1624 OD1 ASN A 102 -10.552 -8.227 23.709 1.00 0.00 O ATOM 1625 ND2 ASN A 102 -11.129 -8.846 21.582 1.00 0.00 N ATOM 0 H ASN A 102 -9.424 -6.491 23.473 1.00 0.00 H new ATOM 0 HA ASN A 102 -7.071 -7.231 22.044 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -8.690 -9.015 21.130 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -8.175 -9.095 22.803 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -12.122 -8.901 21.809 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -10.810 -9.055 20.636 1.00 0.00 H new ATOM 1632 N VAL A 103 -7.491 -6.322 19.807 1.00 0.00 N ATOM 1633 CA VAL A 103 -7.555 -5.462 18.662 1.00 0.00 C ATOM 1634 C VAL A 103 -7.928 -6.261 17.452 1.00 0.00 C ATOM 1635 O VAL A 103 -7.449 -7.377 17.262 1.00 0.00 O ATOM 1636 CB VAL A 103 -6.263 -4.690 18.427 1.00 0.00 C ATOM 1637 CG1 VAL A 103 -5.947 -3.889 19.706 1.00 0.00 C ATOM 1638 CG2 VAL A 103 -5.087 -5.618 18.062 1.00 0.00 C ATOM 0 H VAL A 103 -6.599 -6.806 19.909 1.00 0.00 H new ATOM 0 HA VAL A 103 -8.323 -4.714 18.857 1.00 0.00 H new ATOM 0 HB VAL A 103 -6.399 -4.020 17.578 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -5.025 -3.326 19.564 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -6.765 -3.199 19.915 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -5.828 -4.575 20.545 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -4.188 -5.022 17.904 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -4.915 -6.325 18.874 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -5.325 -6.165 17.149 1.00 0.00 H new ATOM 1648 N VAL A 104 -8.798 -5.683 16.595 1.00 0.00 N ATOM 1649 CA VAL A 104 -9.116 -6.268 15.324 1.00 0.00 C ATOM 1650 C VAL A 104 -8.223 -5.577 14.349 1.00 0.00 C ATOM 1651 O VAL A 104 -8.410 -4.390 14.084 1.00 0.00 O ATOM 1652 CB VAL A 104 -10.549 -6.049 14.864 1.00 0.00 C ATOM 1653 CG1 VAL A 104 -10.773 -6.677 13.473 1.00 0.00 C ATOM 1654 CG2 VAL A 104 -11.509 -6.702 15.867 1.00 0.00 C ATOM 0 H VAL A 104 -9.283 -4.806 16.785 1.00 0.00 H new ATOM 0 HA VAL A 104 -8.986 -7.348 15.399 1.00 0.00 H new ATOM 0 HB VAL A 104 -10.737 -4.977 14.804 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -11.804 -6.510 13.160 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -10.096 -6.217 12.753 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -10.577 -7.748 13.522 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -12.537 -6.547 15.540 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -11.304 -7.771 15.924 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -11.369 -6.253 16.850 1.00 0.00 H new ATOM 1664 N VAL A 105 -7.252 -6.322 13.778 1.00 0.00 N ATOM 1665 CA VAL A 105 -6.473 -5.814 12.676 1.00 0.00 C ATOM 1666 C VAL A 105 -7.006 -6.528 11.466 1.00 0.00 C ATOM 1667 O VAL A 105 -7.430 -7.678 11.565 1.00 0.00 O ATOM 1668 CB VAL A 105 -4.962 -5.988 12.793 1.00 0.00 C ATOM 1669 CG1 VAL A 105 -4.482 -5.363 14.114 1.00 0.00 C ATOM 1670 CG2 VAL A 105 -4.500 -7.453 12.712 1.00 0.00 C ATOM 0 H VAL A 105 -7.006 -7.267 14.073 1.00 0.00 H new ATOM 0 HA VAL A 105 -6.583 -4.730 12.635 1.00 0.00 H new ATOM 0 HB VAL A 105 -4.518 -5.481 11.936 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -3.402 -5.485 14.203 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -4.730 -4.302 14.126 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -4.973 -5.859 14.951 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -3.415 -7.498 12.803 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -4.956 -8.023 13.521 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -4.802 -7.877 11.754 1.00 0.00 H new ATOM 1680 N ALA A 106 -6.986 -5.863 10.291 1.00 0.00 N ATOM 1681 CA ALA A 106 -7.280 -6.530 9.049 1.00 0.00 C ATOM 1682 C ALA A 106 -5.968 -7.007 8.533 1.00 0.00 C ATOM 1683 O ALA A 106 -5.037 -6.208 8.431 1.00 0.00 O ATOM 1684 CB ALA A 106 -7.883 -5.621 7.973 1.00 0.00 C ATOM 0 H ALA A 106 -6.768 -4.871 10.199 1.00 0.00 H new ATOM 0 HA ALA A 106 -8.014 -7.311 9.247 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -8.074 -6.202 7.071 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -8.819 -5.198 8.337 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -7.185 -4.815 7.745 1.00 0.00 H new ATOM 1690 N CYS A 107 -5.884 -8.321 8.211 1.00 0.00 N ATOM 1691 CA CYS A 107 -4.664 -8.941 7.770 1.00 0.00 C ATOM 1692 C CYS A 107 -4.712 -9.212 6.302 1.00 0.00 C ATOM 1693 O CYS A 107 -5.772 -9.454 5.725 1.00 0.00 O ATOM 1694 CB CYS A 107 -4.378 -10.303 8.435 1.00 0.00 C ATOM 1695 SG CYS A 107 -4.173 -10.178 10.229 1.00 0.00 S ATOM 0 H CYS A 107 -6.677 -8.961 8.258 1.00 0.00 H new ATOM 0 HA CYS A 107 -3.884 -8.231 8.045 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -5.196 -10.989 8.214 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -3.476 -10.732 8.000 1.00 0.00 H new ATOM 1700 N GLU A 108 -3.513 -9.203 5.685 1.00 0.00 N ATOM 1701 CA GLU A 108 -3.294 -9.611 4.330 1.00 0.00 C ATOM 1702 C GLU A 108 -1.906 -10.164 4.344 1.00 0.00 C ATOM 1703 O GLU A 108 -0.985 -9.502 4.816 1.00 0.00 O ATOM 1704 CB GLU A 108 -3.317 -8.441 3.326 1.00 0.00 C ATOM 1705 CG GLU A 108 -3.169 -8.855 1.855 1.00 0.00 C ATOM 1706 CD GLU A 108 -3.065 -7.582 1.030 1.00 0.00 C ATOM 1707 OE1 GLU A 108 -2.039 -6.865 1.184 1.00 0.00 O ATOM 1708 OE2 GLU A 108 -4.003 -7.309 0.234 1.00 0.00 O ATOM 0 H GLU A 108 -2.659 -8.898 6.152 1.00 0.00 H new ATOM 0 HA GLU A 108 -4.076 -10.303 4.017 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -4.254 -7.897 3.444 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -2.513 -7.749 3.577 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -2.282 -9.474 1.718 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -4.025 -9.450 1.536 1.00 0.00 H new ATOM 1715 N ASN A 109 -1.739 -11.398 3.812 1.00 0.00 N ATOM 1716 CA ASN A 109 -0.491 -12.106 3.592 1.00 0.00 C ATOM 1717 C ASN A 109 0.209 -12.594 4.837 1.00 0.00 C ATOM 1718 O ASN A 109 1.334 -13.085 4.751 1.00 0.00 O ATOM 1719 CB ASN A 109 0.507 -11.463 2.571 1.00 0.00 C ATOM 1720 CG ASN A 109 1.342 -10.269 3.074 1.00 0.00 C ATOM 1721 OD1 ASN A 109 2.286 -10.407 3.861 1.00 0.00 O ATOM 1722 ND2 ASN A 109 1.000 -9.054 2.543 1.00 0.00 N ATOM 0 H ASN A 109 -2.541 -11.950 3.509 1.00 0.00 H new ATOM 0 HA ASN A 109 -0.865 -12.998 3.089 1.00 0.00 H new ATOM 0 HB2 ASN A 109 1.193 -12.239 2.232 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -0.061 -11.137 1.700 1.00 0.00 H new ATOM 0 HD21 ASN A 109 1.531 -8.220 2.794 1.00 0.00 H new ATOM 0 HD22 ASN A 109 0.214 -8.983 1.897 1.00 0.00 H new ATOM 1729 N GLY A 110 -0.437 -12.487 6.022 1.00 0.00 N ATOM 1730 CA GLY A 110 0.140 -12.920 7.266 1.00 0.00 C ATOM 1731 C GLY A 110 0.723 -11.742 7.985 1.00 0.00 C ATOM 1732 O GLY A 110 1.305 -11.892 9.058 1.00 0.00 O ATOM 0 H GLY A 110 -1.373 -12.094 6.116 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -0.620 -13.397 7.885 1.00 0.00 H new ATOM 0 HA3 GLY A 110 0.914 -13.665 7.080 1.00 0.00 H new ATOM 1736 N LEU A 111 0.560 -10.537 7.401 1.00 0.00 N ATOM 1737 CA LEU A 111 0.995 -9.308 7.991 1.00 0.00 C ATOM 1738 C LEU A 111 -0.301 -8.619 8.246 1.00 0.00 C ATOM 1739 O LEU A 111 -1.254 -8.904 7.530 1.00 0.00 O ATOM 1740 CB LEU A 111 1.702 -8.428 6.947 1.00 0.00 C ATOM 1741 CG LEU A 111 2.774 -7.420 7.384 1.00 0.00 C ATOM 1742 CD1 LEU A 111 3.751 -7.839 8.478 1.00 0.00 C ATOM 1743 CD2 LEU A 111 3.571 -6.949 6.160 1.00 0.00 C ATOM 0 H LEU A 111 0.113 -10.416 6.492 1.00 0.00 H new ATOM 0 HA LEU A 111 1.656 -9.471 8.842 1.00 0.00 H new ATOM 0 HB2 LEU A 111 2.164 -9.097 6.221 1.00 0.00 H new ATOM 0 HB3 LEU A 111 0.929 -7.869 6.419 1.00 0.00 H new ATOM 0 HG LEU A 111 2.188 -6.627 7.848 1.00 0.00 H new ATOM 0 HD11 LEU A 111 4.446 -7.023 8.677 1.00 0.00 H new ATOM 0 HD12 LEU A 111 3.199 -8.075 9.388 1.00 0.00 H new ATOM 0 HD13 LEU A 111 4.307 -8.718 8.152 1.00 0.00 H new ATOM 0 HD21 LEU A 111 4.331 -6.234 6.474 1.00 0.00 H new ATOM 0 HD22 LEU A 111 4.052 -7.805 5.687 1.00 0.00 H new ATOM 0 HD23 LEU A 111 2.897 -6.473 5.448 1.00 0.00 H new ATOM 1755 N PRO A 112 -0.422 -7.718 9.180 1.00 0.00 N ATOM 1756 CA PRO A 112 -1.528 -6.804 9.218 1.00 0.00 C ATOM 1757 C PRO A 112 -1.354 -5.808 8.107 1.00 0.00 C ATOM 1758 O PRO A 112 -0.246 -5.623 7.612 1.00 0.00 O ATOM 1759 CB PRO A 112 -1.396 -6.123 10.567 1.00 0.00 C ATOM 1760 CG PRO A 112 -0.737 -7.185 11.440 1.00 0.00 C ATOM 1761 CD PRO A 112 0.198 -7.899 10.469 1.00 0.00 C ATOM 0 HA PRO A 112 -2.501 -7.279 9.095 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -0.787 -5.221 10.503 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -2.367 -5.824 10.962 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -0.191 -6.741 12.272 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -1.471 -7.867 11.868 1.00 0.00 H new ATOM 0 HD2 PRO A 112 1.200 -7.470 10.493 1.00 0.00 H new ATOM 0 HD3 PRO A 112 0.298 -8.956 10.717 1.00 0.00 H new ATOM 1769 N VAL A 113 -2.446 -5.146 7.695 1.00 0.00 N ATOM 1770 CA VAL A 113 -2.355 -4.105 6.713 1.00 0.00 C ATOM 1771 C VAL A 113 -3.230 -2.953 7.089 1.00 0.00 C ATOM 1772 O VAL A 113 -3.018 -1.857 6.574 1.00 0.00 O ATOM 1773 CB VAL A 113 -2.715 -4.511 5.296 1.00 0.00 C ATOM 1774 CG1 VAL A 113 -1.479 -5.119 4.609 1.00 0.00 C ATOM 1775 CG2 VAL A 113 -3.900 -5.492 5.304 1.00 0.00 C ATOM 0 H VAL A 113 -3.390 -5.327 8.037 1.00 0.00 H new ATOM 0 HA VAL A 113 -1.298 -3.839 6.710 1.00 0.00 H new ATOM 0 HB VAL A 113 -3.025 -3.632 4.730 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -1.736 -5.411 3.591 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -0.677 -4.381 4.583 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -1.148 -5.996 5.166 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -4.146 -5.774 4.280 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -3.631 -6.383 5.871 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -4.764 -5.015 5.767 1.00 0.00 H new ATOM 1785 N HIS A 114 -4.244 -3.154 7.964 1.00 0.00 N ATOM 1786 CA HIS A 114 -5.145 -2.067 8.255 1.00 0.00 C ATOM 1787 C HIS A 114 -5.629 -2.241 9.644 1.00 0.00 C ATOM 1788 O HIS A 114 -5.286 -3.217 10.311 1.00 0.00 O ATOM 1789 CB HIS A 114 -6.419 -2.004 7.388 1.00 0.00 C ATOM 1790 CG HIS A 114 -6.202 -2.198 5.921 1.00 0.00 C ATOM 1791 ND1 HIS A 114 -5.852 -1.178 5.078 1.00 0.00 N ATOM 1792 CD2 HIS A 114 -6.291 -3.323 5.176 1.00 0.00 C ATOM 1793 CE1 HIS A 114 -5.735 -1.673 3.854 1.00 0.00 C ATOM 1794 NE2 HIS A 114 -5.997 -2.973 3.886 1.00 0.00 N ATOM 0 H HIS A 114 -4.436 -4.029 8.452 1.00 0.00 H new ATOM 0 HA HIS A 114 -4.569 -1.161 8.065 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -7.116 -2.765 7.739 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -6.897 -1.037 7.543 1.00 0.00 H new ATOM 0 HD1 HIS A 114 -5.706 -0.205 5.346 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -6.546 -4.310 5.532 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -5.469 -1.109 2.972 1.00 0.00 H new ATOM 1803 N LEU A 115 -6.453 -1.272 10.096 1.00 0.00 N ATOM 1804 CA LEU A 115 -7.094 -1.348 11.371 1.00 0.00 C ATOM 1805 C LEU A 115 -8.542 -1.151 11.123 1.00 0.00 C ATOM 1806 O LEU A 115 -8.934 -0.259 10.370 1.00 0.00 O ATOM 1807 CB LEU A 115 -6.654 -0.234 12.339 1.00 0.00 C ATOM 1808 CG LEU A 115 -6.630 -0.636 13.842 1.00 0.00 C ATOM 1809 CD1 LEU A 115 -6.095 -2.013 14.271 1.00 0.00 C ATOM 1810 CD2 LEU A 115 -6.024 0.433 14.751 1.00 0.00 C ATOM 0 H LEU A 115 -6.675 -0.428 9.568 1.00 0.00 H new ATOM 0 HA LEU A 115 -6.839 -2.306 11.825 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -5.657 0.102 12.053 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -7.324 0.617 12.217 1.00 0.00 H new ATOM 0 HG LEU A 115 -7.707 -0.729 13.979 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -6.160 -2.107 15.355 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -6.690 -2.797 13.803 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -5.055 -2.112 13.960 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -6.040 0.084 15.784 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -4.995 0.626 14.449 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -6.605 1.352 14.669 1.00 0.00 H new ATOM 1822 N ASP A 116 -9.370 -1.982 11.779 1.00 0.00 N ATOM 1823 CA ASP A 116 -10.782 -1.806 11.774 1.00 0.00 C ATOM 1824 C ASP A 116 -11.061 -0.904 12.920 1.00 0.00 C ATOM 1825 O ASP A 116 -10.774 -1.252 14.064 1.00 0.00 O ATOM 1826 CB ASP A 116 -11.529 -3.121 12.011 1.00 0.00 C ATOM 1827 CG ASP A 116 -11.364 -3.984 10.769 1.00 0.00 C ATOM 1828 OD1 ASP A 116 -10.263 -4.569 10.590 1.00 0.00 O ATOM 1829 OD2 ASP A 116 -12.343 -4.067 9.981 1.00 0.00 O ATOM 0 H ASP A 116 -9.052 -2.786 12.320 1.00 0.00 H new ATOM 0 HA ASP A 116 -11.110 -1.417 10.810 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -11.131 -3.633 12.887 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -12.584 -2.930 12.205 1.00 0.00 H new ATOM 1834 N GLN A 117 -11.635 0.282 12.620 1.00 0.00 N ATOM 1835 CA GLN A 117 -11.858 1.326 13.584 1.00 0.00 C ATOM 1836 C GLN A 117 -13.303 1.314 13.983 1.00 0.00 C ATOM 1837 O GLN A 117 -13.915 2.368 14.136 1.00 0.00 O ATOM 1838 CB GLN A 117 -11.540 2.732 13.023 1.00 0.00 C ATOM 1839 CG GLN A 117 -10.093 2.937 12.537 1.00 0.00 C ATOM 1840 CD GLN A 117 -9.194 3.392 13.691 1.00 0.00 C ATOM 1841 OE1 GLN A 117 -8.732 4.540 13.707 1.00 0.00 O ATOM 1842 NE2 GLN A 117 -8.933 2.469 14.661 1.00 0.00 N ATOM 0 H GLN A 117 -11.953 0.522 11.681 1.00 0.00 H new ATOM 0 HA GLN A 117 -11.195 1.133 14.427 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -12.216 2.935 12.193 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -11.754 3.470 13.796 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -9.710 2.007 12.116 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -10.074 3.680 11.740 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -9.340 1.536 14.600 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -8.331 2.712 15.448 1.00 0.00 H new ATOM 1851 N SER A 118 -13.878 0.104 14.154 1.00 0.00 N ATOM 1852 CA SER A 118 -15.244 -0.074 14.547 1.00 0.00 C ATOM 1853 C SER A 118 -15.283 -0.291 16.022 1.00 0.00 C ATOM 1854 O SER A 118 -16.277 0.022 16.675 1.00 0.00 O ATOM 1855 CB SER A 118 -15.893 -1.302 13.892 1.00 0.00 C ATOM 1856 OG SER A 118 -15.854 -1.175 12.479 1.00 0.00 O ATOM 0 H SER A 118 -13.377 -0.773 14.014 1.00 0.00 H new ATOM 0 HA SER A 118 -15.791 0.816 14.235 1.00 0.00 H new ATOM 0 HB2 SER A 118 -15.369 -2.207 14.199 1.00 0.00 H new ATOM 0 HB3 SER A 118 -16.925 -1.401 14.228 1.00 0.00 H new ATOM 0 HG SER A 118 -16.268 -1.963 12.068 1.00 0.00 H new ATOM 1862 N ILE A 119 -14.182 -0.858 16.570 1.00 0.00 N ATOM 1863 CA ILE A 119 -14.102 -1.226 17.958 1.00 0.00 C ATOM 1864 C ILE A 119 -13.535 -0.066 18.702 1.00 0.00 C ATOM 1865 O ILE A 119 -13.680 0.045 19.919 1.00 0.00 O ATOM 1866 CB ILE A 119 -13.264 -2.472 18.213 1.00 0.00 C ATOM 1867 CG1 ILE A 119 -11.738 -2.248 18.168 1.00 0.00 C ATOM 1868 CG2 ILE A 119 -13.641 -3.497 17.140 1.00 0.00 C ATOM 1869 CD1 ILE A 119 -10.922 -3.542 18.209 1.00 0.00 C ATOM 0 H ILE A 119 -13.335 -1.063 16.040 1.00 0.00 H new ATOM 0 HA ILE A 119 -15.107 -1.474 18.301 1.00 0.00 H new ATOM 0 HB ILE A 119 -13.482 -2.804 19.228 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -11.487 -1.700 17.260 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -11.447 -1.619 19.010 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -13.061 -4.408 17.287 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -14.704 -3.728 17.214 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -13.427 -3.086 16.153 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -9.859 -3.303 18.174 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -11.142 -4.082 19.130 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -11.183 -4.164 17.353 1.00 0.00 H new ATOM 1881 N PHE A 120 -12.846 0.814 17.947 1.00 0.00 N ATOM 1882 CA PHE A 120 -12.128 1.929 18.474 1.00 0.00 C ATOM 1883 C PHE A 120 -12.992 3.134 18.345 1.00 0.00 C ATOM 1884 O PHE A 120 -12.680 4.178 18.912 1.00 0.00 O ATOM 1885 CB PHE A 120 -10.832 2.181 17.701 1.00 0.00 C ATOM 1886 CG PHE A 120 -9.913 1.023 17.919 1.00 0.00 C ATOM 1887 CD1 PHE A 120 -9.293 0.865 19.142 1.00 0.00 C ATOM 1888 CD2 PHE A 120 -9.661 0.096 16.922 1.00 0.00 C ATOM 1889 CE1 PHE A 120 -8.407 -0.170 19.349 1.00 0.00 C ATOM 1890 CE2 PHE A 120 -8.744 -0.916 17.111 1.00 0.00 C ATOM 1891 CZ PHE A 120 -8.105 -1.042 18.324 1.00 0.00 C ATOM 0 H PHE A 120 -12.789 0.742 16.931 1.00 0.00 H new ATOM 0 HA PHE A 120 -11.872 1.720 19.513 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -11.043 2.302 16.638 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -10.363 3.105 18.040 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -9.504 1.558 19.943 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -10.190 0.167 15.983 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -7.947 -0.299 20.318 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -8.528 -1.608 16.310 1.00 0.00 H new ATOM 0 HZ PHE A 120 -7.371 -1.820 18.472 1.00 0.00 H new ATOM 1901 N ARG A 121 -14.119 2.988 17.611 1.00 0.00 N ATOM 1902 CA ARG A 121 -15.154 3.981 17.518 1.00 0.00 C ATOM 1903 C ARG A 121 -15.883 4.023 18.822 1.00 0.00 C ATOM 1904 O ARG A 121 -16.288 5.091 19.281 1.00 0.00 O ATOM 1905 CB ARG A 121 -16.172 3.674 16.402 1.00 0.00 C ATOM 1906 CG ARG A 121 -17.177 4.796 16.110 1.00 0.00 C ATOM 1907 CD ARG A 121 -18.048 4.480 14.891 1.00 0.00 C ATOM 1908 NE ARG A 121 -18.966 5.632 14.666 1.00 0.00 N ATOM 1909 CZ ARG A 121 -19.842 5.628 13.620 1.00 0.00 C ATOM 1910 NH1 ARG A 121 -19.894 4.561 12.769 1.00 0.00 N ATOM 1911 NH2 ARG A 121 -20.671 6.694 13.423 1.00 0.00 N ATOM 0 H ARG A 121 -14.315 2.150 17.064 1.00 0.00 H new ATOM 0 HA ARG A 121 -14.681 4.934 17.282 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -15.626 3.449 15.486 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -16.724 2.774 16.673 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -17.814 4.949 16.981 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -16.640 5.729 15.940 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -17.426 4.312 14.012 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -18.618 3.566 15.057 1.00 0.00 H new ATOM 0 HE ARG A 121 -18.939 6.431 15.300 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -19.276 3.762 12.914 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -20.551 4.563 11.988 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -20.635 7.492 14.057 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -21.326 6.693 12.642 1.00 0.00 H new ATOM 1925 N ARG A 122 -16.055 2.834 19.434 1.00 0.00 N ATOM 1926 CA ARG A 122 -16.627 2.702 20.741 1.00 0.00 C ATOM 1927 C ARG A 122 -15.591 3.181 21.725 1.00 0.00 C ATOM 1928 O ARG A 122 -14.448 2.734 21.624 1.00 0.00 O ATOM 1929 CB ARG A 122 -16.946 1.240 21.109 1.00 0.00 C ATOM 1930 CG ARG A 122 -17.929 0.547 20.150 1.00 0.00 C ATOM 1931 CD ARG A 122 -19.305 1.216 20.057 1.00 0.00 C ATOM 1932 NE ARG A 122 -19.892 1.265 21.428 1.00 0.00 N ATOM 1933 CZ ARG A 122 -21.048 1.950 21.671 1.00 0.00 C ATOM 1934 NH1 ARG A 122 -21.700 2.586 20.655 1.00 0.00 N ATOM 1935 NH2 ARG A 122 -21.553 1.997 22.939 1.00 0.00 N ATOM 0 H ARG A 122 -15.790 1.945 19.010 1.00 0.00 H new ATOM 0 HA ARG A 122 -17.556 3.271 20.763 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -16.016 0.672 21.131 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -17.360 1.213 22.117 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -17.486 0.517 19.155 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -18.062 -0.486 20.471 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -19.212 2.222 19.647 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -19.955 0.656 19.385 1.00 0.00 H new ATOM 0 HE ARG A 122 -19.424 0.780 22.194 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -21.324 2.551 19.707 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -22.563 3.096 20.843 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -21.067 1.522 23.699 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -22.416 2.507 23.126 1.00 0.00 H new ATOM 1949 N PRO A 123 -15.896 4.068 22.660 1.00 0.00 N ATOM 1950 CA PRO A 123 -14.899 4.681 23.489 1.00 0.00 C ATOM 1951 C PRO A 123 -14.426 3.611 24.436 1.00 0.00 C ATOM 1952 O PRO A 123 -15.276 2.992 25.131 1.00 0.00 O ATOM 1953 CB PRO A 123 -15.632 5.814 24.216 1.00 0.00 C ATOM 1954 CG PRO A 123 -17.114 5.427 24.169 1.00 0.00 C ATOM 1955 CD PRO A 123 -17.222 4.620 22.876 1.00 0.00 C ATOM 1956 OXT PRO A 123 -13.185 3.395 24.498 1.00 0.00 O ATOM 0 HA PRO A 123 -14.035 5.083 22.960 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -15.283 5.913 25.244 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -15.459 6.773 23.727 1.00 0.00 H new ATOM 0 HG2 PRO A 123 -17.404 4.836 25.038 1.00 0.00 H new ATOM 0 HG3 PRO A 123 -17.759 6.305 24.151 1.00 0.00 H new ATOM 0 HD2 PRO A 123 -17.968 3.830 22.966 1.00 0.00 H new ATOM 0 HD3 PRO A 123 -17.526 5.252 22.042 1.00 0.00 H new TER 1964 PRO A 123