USER MOD reduce.3.24.130724 H: found=0, std=0, add=795, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 794 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 96 CYS SG : rot 126:sc= 0.744 USER MOD Set 1.2: A 97 GLN : amide:sc= 0.0452 K(o=0.79,f=-1.5) USER MOD Set 2.1: A 43 SER OG : rot 180:sc= 0.00121 USER MOD Set 2.2: A 61 LYS NZ :NH3+ -161:sc= 0.00114 (180deg=0) USER MOD Set 3.1: A 31 MET CE :methyl 169:sc= -0.0491 (180deg=-0.248) USER MOD Set 3.2: A 103 CYS SG : rot -130:sc= -0.0119 USER MOD Set 4.1: A 25 ASN : amide:sc= -0.1! K(o=0.6!,f=-2.1) USER MOD Set 4.2: A 29 SER OG : rot 63:sc= 0.702 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= -0.0388 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN :FLIP amide:sc= -0.607 F(o=-1.7!,f=-0.61) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 130:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.0554 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc=-0.00481 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.382 K(o=-0.38,f=-2.9!) USER MOD Single : A 56 THR OG1 : rot -34:sc= 0.559 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 HIS :FLIP no HE2:sc= -4.34! C(o=-6.3!,f=-4.3!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= -0.0127 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.0114 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 120:sc= -0.625 USER MOD Single : A 82 GLN : amide:sc= -0.0799 X(o=-0.08,f=-0.085) USER MOD Single : A 87 HIS : no HD1:sc= -0.252 X(o=-0.25,f=0.052) USER MOD Single : A 88 TYR OH : rot 30:sc= -1.91! USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= 0.437 K(o=0.44,f=-6.2!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot -38:sc= -3.78! USER MOD Single : A 104 MET CE :methyl 138:sc= -0.0858 (180deg=-2.17) USER MOD ----------------------------------------------------------------- ATOM 47 N GLU A 4 -5.603 -0.355 -5.823 1.00 0.00 N ATOM 48 CA GLU A 4 -6.451 -0.616 -6.974 1.00 0.00 C ATOM 49 C GLU A 4 -7.859 -0.069 -6.732 1.00 0.00 C ATOM 50 O GLU A 4 -8.679 -0.719 -6.085 1.00 0.00 O ATOM 51 CB GLU A 4 -6.491 -2.111 -7.296 1.00 0.00 C ATOM 52 CG GLU A 4 -5.131 -2.602 -7.795 1.00 0.00 C ATOM 53 CD GLU A 4 -4.804 -2.010 -9.168 1.00 0.00 C ATOM 54 OE1 GLU A 4 -5.406 -2.493 -10.152 1.00 0.00 O ATOM 55 OE2 GLU A 4 -3.961 -1.089 -9.203 1.00 0.00 O ATOM 0 HA GLU A 4 -6.027 -0.102 -7.837 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -6.779 -2.671 -6.406 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -7.251 -2.303 -8.053 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -4.356 -2.324 -7.081 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -5.133 -3.690 -7.855 1.00 0.00 H new ATOM 62 N GLU A 5 -8.096 1.121 -7.264 1.00 0.00 N ATOM 63 CA GLU A 5 -9.391 1.763 -7.114 1.00 0.00 C ATOM 64 C GLU A 5 -10.044 1.968 -8.482 1.00 0.00 C ATOM 65 O GLU A 5 -10.541 3.053 -8.781 1.00 0.00 O ATOM 66 CB GLU A 5 -9.262 3.090 -6.364 1.00 0.00 C ATOM 67 CG GLU A 5 -9.659 2.931 -4.895 1.00 0.00 C ATOM 68 CD GLU A 5 -9.311 4.187 -4.093 1.00 0.00 C ATOM 69 OE1 GLU A 5 -8.107 4.363 -3.808 1.00 0.00 O ATOM 70 OE2 GLU A 5 -10.258 4.943 -3.784 1.00 0.00 O ATOM 0 H GLU A 5 -7.413 1.657 -7.799 1.00 0.00 H new ATOM 0 HA GLU A 5 -10.032 1.110 -6.522 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -8.236 3.451 -6.430 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -9.895 3.842 -6.836 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -10.729 2.734 -4.823 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -9.147 2.069 -4.468 1.00 0.00 H new ATOM 77 N TRP A 6 -10.022 0.909 -9.278 1.00 0.00 N ATOM 78 CA TRP A 6 -10.605 0.959 -10.608 1.00 0.00 C ATOM 79 C TRP A 6 -12.109 0.714 -10.474 1.00 0.00 C ATOM 80 O TRP A 6 -12.881 1.070 -11.363 1.00 0.00 O ATOM 81 CB TRP A 6 -9.919 -0.036 -11.545 1.00 0.00 C ATOM 82 CG TRP A 6 -9.605 -1.387 -10.898 1.00 0.00 C ATOM 83 CD1 TRP A 6 -8.434 -1.814 -10.407 1.00 0.00 C ATOM 84 CD2 TRP A 6 -10.529 -2.476 -10.689 1.00 0.00 C ATOM 85 NE1 TRP A 6 -8.534 -3.093 -9.900 1.00 0.00 N ATOM 86 CE2 TRP A 6 -9.849 -3.509 -10.077 1.00 0.00 C ATOM 87 CE3 TRP A 6 -11.894 -2.584 -11.008 1.00 0.00 C ATOM 88 CZ2 TRP A 6 -10.451 -4.724 -9.730 1.00 0.00 C ATOM 89 CZ3 TRP A 6 -12.482 -3.805 -10.655 1.00 0.00 C ATOM 90 CH2 TRP A 6 -11.811 -4.855 -10.038 1.00 0.00 C ATOM 0 H TRP A 6 -9.609 0.011 -9.027 1.00 0.00 H new ATOM 0 HA TRP A 6 -10.450 1.939 -11.060 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -10.557 -0.200 -12.413 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -8.991 0.405 -11.910 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -7.525 -1.230 -10.408 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -7.782 -3.634 -9.474 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -12.445 -1.789 -11.487 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -9.897 -5.517 -9.251 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -13.530 -3.941 -10.878 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -12.336 -5.767 -9.797 1.00 0.00 H new ATOM 101 N PHE A 7 -12.481 0.109 -9.355 1.00 0.00 N ATOM 102 CA PHE A 7 -13.879 -0.187 -9.093 1.00 0.00 C ATOM 103 C PHE A 7 -14.523 0.913 -8.248 1.00 0.00 C ATOM 104 O PHE A 7 -13.930 1.385 -7.279 1.00 0.00 O ATOM 105 CB PHE A 7 -13.919 -1.503 -8.313 1.00 0.00 C ATOM 106 CG PHE A 7 -15.236 -1.748 -7.574 1.00 0.00 C ATOM 107 CD1 PHE A 7 -16.365 -2.038 -8.274 1.00 0.00 C ATOM 108 CD2 PHE A 7 -15.278 -1.676 -6.217 1.00 0.00 C ATOM 109 CE1 PHE A 7 -17.588 -2.265 -7.588 1.00 0.00 C ATOM 110 CE2 PHE A 7 -16.500 -1.903 -5.531 1.00 0.00 C ATOM 111 CZ PHE A 7 -17.629 -2.193 -6.231 1.00 0.00 C ATOM 0 H PHE A 7 -11.838 -0.184 -8.619 1.00 0.00 H new ATOM 0 HA PHE A 7 -14.428 -0.254 -10.032 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -13.742 -2.328 -9.003 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -13.102 -1.511 -7.591 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -16.332 -2.096 -9.352 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -14.381 -1.446 -5.661 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -18.485 -2.495 -8.144 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -16.533 -1.845 -4.453 1.00 0.00 H new ATOM 0 HZ PHE A 7 -18.558 -2.366 -5.709 1.00 0.00 H new ATOM 121 N PHE A 8 -15.730 1.291 -8.645 1.00 0.00 N ATOM 122 CA PHE A 8 -16.461 2.327 -7.935 1.00 0.00 C ATOM 123 C PHE A 8 -17.752 1.771 -7.332 1.00 0.00 C ATOM 124 O PHE A 8 -18.262 0.746 -7.783 1.00 0.00 O ATOM 125 CB PHE A 8 -16.815 3.406 -8.960 1.00 0.00 C ATOM 126 CG PHE A 8 -15.751 4.496 -9.109 1.00 0.00 C ATOM 127 CD1 PHE A 8 -15.714 5.534 -8.232 1.00 0.00 C ATOM 128 CD2 PHE A 8 -14.842 4.426 -10.118 1.00 0.00 C ATOM 129 CE1 PHE A 8 -14.727 6.546 -8.369 1.00 0.00 C ATOM 130 CE2 PHE A 8 -13.855 5.437 -10.256 1.00 0.00 C ATOM 131 CZ PHE A 8 -13.818 6.476 -9.378 1.00 0.00 C ATOM 0 H PHE A 8 -16.220 0.898 -9.449 1.00 0.00 H new ATOM 0 HA PHE A 8 -15.852 2.722 -7.122 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -16.975 2.934 -9.929 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -17.758 3.870 -8.672 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -16.436 5.589 -7.430 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -14.871 3.601 -10.814 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -14.698 7.371 -7.672 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -13.134 5.382 -11.058 1.00 0.00 H new ATOM 0 HZ PHE A 8 -13.067 7.245 -9.482 1.00 0.00 H new ATOM 141 N LYS A 9 -18.244 2.471 -6.320 1.00 0.00 N ATOM 142 CA LYS A 9 -19.466 2.060 -5.650 1.00 0.00 C ATOM 143 C LYS A 9 -20.535 3.139 -5.840 1.00 0.00 C ATOM 144 O LYS A 9 -20.219 4.326 -5.903 1.00 0.00 O ATOM 145 CB LYS A 9 -19.186 1.724 -4.184 1.00 0.00 C ATOM 146 CG LYS A 9 -18.959 2.996 -3.364 1.00 0.00 C ATOM 147 CD LYS A 9 -17.494 3.118 -2.938 1.00 0.00 C ATOM 148 CE LYS A 9 -17.161 2.123 -1.825 1.00 0.00 C ATOM 149 NZ LYS A 9 -16.676 2.834 -0.621 1.00 0.00 N ATOM 0 H LYS A 9 -17.818 3.320 -5.948 1.00 0.00 H new ATOM 0 HA LYS A 9 -19.854 1.144 -6.095 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -20.024 1.164 -3.769 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -18.308 1.081 -4.116 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -19.245 3.868 -3.952 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -19.599 2.983 -2.481 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -16.846 2.939 -3.796 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -17.295 4.133 -2.594 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -18.046 1.537 -1.577 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -16.401 1.422 -2.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -16.455 2.143 0.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -15.819 3.374 -0.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -17.413 3.485 -0.282 1.00 0.00 H new ATOM 163 N GLY A 10 -21.777 2.687 -5.928 1.00 0.00 N ATOM 164 CA GLY A 10 -22.894 3.598 -6.110 1.00 0.00 C ATOM 165 C GLY A 10 -22.531 4.722 -7.083 1.00 0.00 C ATOM 166 O GLY A 10 -22.611 5.899 -6.736 1.00 0.00 O ATOM 0 H GLY A 10 -22.035 1.701 -5.877 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -23.757 3.050 -6.487 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -23.182 4.023 -5.148 1.00 0.00 H new ATOM 170 N ILE A 11 -22.141 4.319 -8.284 1.00 0.00 N ATOM 171 CA ILE A 11 -21.766 5.277 -9.310 1.00 0.00 C ATOM 172 C ILE A 11 -22.856 5.322 -10.382 1.00 0.00 C ATOM 173 O ILE A 11 -23.629 4.376 -10.526 1.00 0.00 O ATOM 174 CB ILE A 11 -20.374 4.956 -9.859 1.00 0.00 C ATOM 175 CG1 ILE A 11 -19.494 6.207 -9.886 1.00 0.00 C ATOM 176 CG2 ILE A 11 -20.468 4.292 -11.234 1.00 0.00 C ATOM 177 CD1 ILE A 11 -18.123 5.900 -10.493 1.00 0.00 C ATOM 0 H ILE A 11 -22.077 3.342 -8.569 1.00 0.00 H new ATOM 0 HA ILE A 11 -21.693 6.279 -8.888 1.00 0.00 H new ATOM 0 HB ILE A 11 -19.898 4.242 -9.188 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -19.985 6.989 -10.465 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -19.370 6.591 -8.873 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -19.465 4.074 -11.602 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -21.034 3.364 -11.152 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -20.972 4.964 -11.929 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -17.517 6.806 -10.500 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -17.625 5.135 -9.898 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -18.250 5.540 -11.514 1.00 0.00 H new ATOM 189 N SER A 12 -22.881 6.429 -11.109 1.00 0.00 N ATOM 190 CA SER A 12 -23.864 6.610 -12.164 1.00 0.00 C ATOM 191 C SER A 12 -23.172 6.602 -13.529 1.00 0.00 C ATOM 192 O SER A 12 -21.966 6.826 -13.619 1.00 0.00 O ATOM 193 CB SER A 12 -24.646 7.911 -11.973 1.00 0.00 C ATOM 194 OG SER A 12 -24.000 9.018 -12.596 1.00 0.00 O ATOM 0 H SER A 12 -22.236 7.210 -10.988 1.00 0.00 H new ATOM 0 HA SER A 12 -24.573 5.783 -12.117 1.00 0.00 H new ATOM 0 HB2 SER A 12 -25.648 7.796 -12.387 1.00 0.00 H new ATOM 0 HB3 SER A 12 -24.762 8.111 -10.908 1.00 0.00 H new ATOM 0 HG SER A 12 -24.531 9.829 -12.453 1.00 0.00 H new ATOM 200 N ARG A 13 -23.966 6.341 -14.557 1.00 0.00 N ATOM 201 CA ARG A 13 -23.446 6.301 -15.913 1.00 0.00 C ATOM 202 C ARG A 13 -23.093 7.712 -16.389 1.00 0.00 C ATOM 203 O ARG A 13 -22.221 7.885 -17.238 1.00 0.00 O ATOM 204 CB ARG A 13 -24.463 5.685 -16.876 1.00 0.00 C ATOM 205 CG ARG A 13 -23.805 5.317 -18.207 1.00 0.00 C ATOM 206 CD ARG A 13 -23.911 6.470 -19.208 1.00 0.00 C ATOM 207 NE ARG A 13 -25.027 6.224 -20.148 1.00 0.00 N ATOM 208 CZ ARG A 13 -25.308 7.002 -21.202 1.00 0.00 C ATOM 209 NH1 ARG A 13 -24.555 8.080 -21.457 1.00 0.00 N ATOM 210 NH2 ARG A 13 -26.341 6.702 -22.001 1.00 0.00 N ATOM 0 H ARG A 13 -24.966 6.155 -14.478 1.00 0.00 H new ATOM 0 HA ARG A 13 -22.549 5.682 -15.905 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -24.903 4.795 -16.426 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -25.276 6.389 -17.051 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -22.756 5.069 -18.042 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -24.282 4.428 -18.619 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -24.071 7.409 -18.678 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -22.976 6.571 -19.759 1.00 0.00 H new ATOM 0 HE ARG A 13 -25.620 5.411 -19.983 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -23.768 8.308 -20.849 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -24.768 8.673 -22.259 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -26.914 5.881 -21.807 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -26.554 7.295 -22.803 1.00 0.00 H new ATOM 224 N LYS A 14 -23.790 8.685 -15.819 1.00 0.00 N ATOM 225 CA LYS A 14 -23.562 10.075 -16.174 1.00 0.00 C ATOM 226 C LYS A 14 -22.338 10.596 -15.417 1.00 0.00 C ATOM 227 O LYS A 14 -21.548 11.365 -15.962 1.00 0.00 O ATOM 228 CB LYS A 14 -24.827 10.903 -15.941 1.00 0.00 C ATOM 229 CG LYS A 14 -25.843 10.679 -17.063 1.00 0.00 C ATOM 230 CD LYS A 14 -27.230 11.183 -16.656 1.00 0.00 C ATOM 231 CE LYS A 14 -27.966 11.789 -17.852 1.00 0.00 C ATOM 232 NZ LYS A 14 -28.183 13.238 -17.647 1.00 0.00 N ATOM 0 H LYS A 14 -24.512 8.538 -15.114 1.00 0.00 H new ATOM 0 HA LYS A 14 -23.342 10.165 -17.238 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -25.272 10.632 -14.983 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -24.569 11.960 -15.885 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -25.514 11.196 -17.965 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -25.895 9.617 -17.305 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -27.814 10.360 -16.245 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -27.133 11.930 -15.868 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -27.388 11.627 -18.762 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -28.924 11.288 -17.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -28.684 13.634 -18.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -28.753 13.386 -16.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -27.265 13.715 -17.539 1.00 0.00 H new ATOM 246 N ASP A 15 -22.221 10.156 -14.173 1.00 0.00 N ATOM 247 CA ASP A 15 -21.107 10.568 -13.336 1.00 0.00 C ATOM 248 C ASP A 15 -19.848 9.807 -13.758 1.00 0.00 C ATOM 249 O ASP A 15 -18.738 10.325 -13.644 1.00 0.00 O ATOM 250 CB ASP A 15 -21.379 10.253 -11.864 1.00 0.00 C ATOM 251 CG ASP A 15 -22.168 11.324 -11.108 1.00 0.00 C ATOM 252 OD1 ASP A 15 -22.812 12.145 -11.796 1.00 0.00 O ATOM 253 OD2 ASP A 15 -22.111 11.297 -9.860 1.00 0.00 O ATOM 0 H ASP A 15 -22.879 9.519 -13.724 1.00 0.00 H new ATOM 0 HA ASP A 15 -20.974 11.643 -13.456 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -21.925 9.311 -11.804 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -20.425 10.101 -11.358 1.00 0.00 H new ATOM 258 N ALA A 16 -20.064 8.590 -14.236 1.00 0.00 N ATOM 259 CA ALA A 16 -18.961 7.753 -14.675 1.00 0.00 C ATOM 260 C ALA A 16 -18.439 8.267 -16.018 1.00 0.00 C ATOM 261 O ALA A 16 -17.272 8.067 -16.353 1.00 0.00 O ATOM 262 CB ALA A 16 -19.423 6.296 -14.748 1.00 0.00 C ATOM 0 H ALA A 16 -20.986 8.164 -14.329 1.00 0.00 H new ATOM 0 HA ALA A 16 -18.138 7.799 -13.962 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -18.595 5.668 -15.077 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -19.756 5.970 -13.763 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -20.247 6.211 -15.456 1.00 0.00 H new ATOM 268 N GLU A 17 -19.329 8.920 -16.752 1.00 0.00 N ATOM 269 CA GLU A 17 -18.973 9.464 -18.051 1.00 0.00 C ATOM 270 C GLU A 17 -18.238 10.796 -17.885 1.00 0.00 C ATOM 271 O GLU A 17 -17.456 11.190 -18.749 1.00 0.00 O ATOM 272 CB GLU A 17 -20.211 9.627 -18.935 1.00 0.00 C ATOM 273 CG GLU A 17 -20.486 8.352 -19.734 1.00 0.00 C ATOM 274 CD GLU A 17 -21.071 8.682 -21.109 1.00 0.00 C ATOM 275 OE1 GLU A 17 -20.680 9.736 -21.654 1.00 0.00 O ATOM 276 OE2 GLU A 17 -21.897 7.872 -21.583 1.00 0.00 O ATOM 0 H GLU A 17 -20.296 9.084 -16.471 1.00 0.00 H new ATOM 0 HA GLU A 17 -18.303 8.761 -18.547 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -21.076 9.866 -18.316 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -20.067 10.464 -19.618 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -19.561 7.787 -19.854 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -21.179 7.716 -19.183 1.00 0.00 H new ATOM 283 N ARG A 18 -18.515 11.453 -16.768 1.00 0.00 N ATOM 284 CA ARG A 18 -17.890 12.733 -16.478 1.00 0.00 C ATOM 285 C ARG A 18 -16.492 12.520 -15.896 1.00 0.00 C ATOM 286 O ARG A 18 -15.625 13.385 -16.021 1.00 0.00 O ATOM 287 CB ARG A 18 -18.730 13.544 -15.489 1.00 0.00 C ATOM 288 CG ARG A 18 -20.098 13.886 -16.082 1.00 0.00 C ATOM 289 CD ARG A 18 -20.167 15.361 -16.485 1.00 0.00 C ATOM 290 NE ARG A 18 -21.556 15.855 -16.359 1.00 0.00 N ATOM 291 CZ ARG A 18 -22.119 16.225 -15.200 1.00 0.00 C ATOM 292 NH1 ARG A 18 -21.415 16.157 -14.062 1.00 0.00 N ATOM 293 NH2 ARG A 18 -23.386 16.661 -15.180 1.00 0.00 N ATOM 0 H ARG A 18 -19.164 11.123 -16.053 1.00 0.00 H new ATOM 0 HA ARG A 18 -17.817 13.287 -17.414 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -18.861 12.977 -14.567 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -18.204 14.462 -15.227 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -20.288 13.258 -16.952 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -20.879 13.667 -15.354 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -19.504 15.951 -15.852 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -19.821 15.483 -17.511 1.00 0.00 H new ATOM 0 HE ARG A 18 -22.120 15.918 -17.206 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -20.451 15.824 -14.078 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -21.843 16.438 -13.180 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -23.922 16.711 -16.046 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -23.815 16.943 -14.298 1.00 0.00 H new ATOM 307 N GLN A 19 -16.314 11.365 -15.272 1.00 0.00 N ATOM 308 CA GLN A 19 -15.036 11.028 -14.670 1.00 0.00 C ATOM 309 C GLN A 19 -14.069 10.505 -15.734 1.00 0.00 C ATOM 310 O GLN A 19 -12.856 10.673 -15.613 1.00 0.00 O ATOM 311 CB GLN A 19 -15.212 10.009 -13.542 1.00 0.00 C ATOM 312 CG GLN A 19 -15.857 10.656 -12.315 1.00 0.00 C ATOM 313 CD GLN A 19 -15.588 9.832 -11.055 1.00 0.00 C ATOM 314 OE1 GLN A 19 -16.319 8.725 -10.966 1.00 0.00 O flip ATOM 315 NE2 GLN A 19 -14.769 10.178 -10.218 1.00 0.00 N flip ATOM 0 H GLN A 19 -17.035 10.650 -15.170 1.00 0.00 H new ATOM 0 HA GLN A 19 -14.612 11.933 -14.235 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -15.830 9.181 -13.888 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -14.243 9.591 -13.270 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -15.466 11.665 -12.184 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -16.932 10.748 -12.471 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -14.241 11.041 -10.348 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -14.613 9.604 -9.389 1.00 0.00 H new ATOM 324 N LEU A 20 -14.642 9.882 -16.754 1.00 0.00 N ATOM 325 CA LEU A 20 -13.846 9.334 -17.839 1.00 0.00 C ATOM 326 C LEU A 20 -13.541 10.440 -18.851 1.00 0.00 C ATOM 327 O LEU A 20 -12.468 10.457 -19.452 1.00 0.00 O ATOM 328 CB LEU A 20 -14.541 8.116 -18.450 1.00 0.00 C ATOM 329 CG LEU A 20 -14.208 6.764 -17.815 1.00 0.00 C ATOM 330 CD1 LEU A 20 -15.259 5.714 -18.179 1.00 0.00 C ATOM 331 CD2 LEU A 20 -12.795 6.315 -18.191 1.00 0.00 C ATOM 0 H LEU A 20 -15.648 9.745 -16.852 1.00 0.00 H new ATOM 0 HA LEU A 20 -12.889 8.972 -17.464 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -15.619 8.268 -18.388 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -14.286 8.070 -19.509 1.00 0.00 H new ATOM 0 HG LEU A 20 -14.231 6.880 -16.731 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -14.999 4.763 -17.715 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -16.236 6.037 -17.820 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -15.292 5.593 -19.262 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -12.584 5.352 -17.727 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -12.720 6.220 -19.274 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -12.073 7.053 -17.840 1.00 0.00 H new ATOM 343 N LEU A 21 -14.503 11.337 -19.007 1.00 0.00 N ATOM 344 CA LEU A 21 -14.350 12.444 -19.936 1.00 0.00 C ATOM 345 C LEU A 21 -13.545 13.559 -19.265 1.00 0.00 C ATOM 346 O LEU A 21 -13.010 14.437 -19.942 1.00 0.00 O ATOM 347 CB LEU A 21 -15.715 12.900 -20.456 1.00 0.00 C ATOM 348 CG LEU A 21 -16.358 12.008 -21.520 1.00 0.00 C ATOM 349 CD1 LEU A 21 -17.885 12.083 -21.448 1.00 0.00 C ATOM 350 CD2 LEU A 21 -15.833 12.352 -22.915 1.00 0.00 C ATOM 0 H LEU A 21 -15.391 11.320 -18.506 1.00 0.00 H new ATOM 0 HA LEU A 21 -13.788 12.128 -20.815 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -16.398 12.973 -19.610 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -15.608 13.904 -20.867 1.00 0.00 H new ATOM 0 HG LEU A 21 -16.076 10.975 -21.316 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -18.317 11.440 -22.215 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -18.220 11.751 -20.465 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -18.207 13.111 -21.613 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -16.306 11.703 -23.652 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -16.065 13.392 -23.145 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -14.753 12.206 -22.944 1.00 0.00 H new ATOM 362 N ALA A 22 -13.483 13.489 -17.944 1.00 0.00 N ATOM 363 CA ALA A 22 -12.751 14.481 -17.175 1.00 0.00 C ATOM 364 C ALA A 22 -11.335 14.613 -17.737 1.00 0.00 C ATOM 365 O ALA A 22 -10.852 13.719 -18.431 1.00 0.00 O ATOM 366 CB ALA A 22 -12.758 14.087 -15.696 1.00 0.00 C ATOM 0 H ALA A 22 -13.928 12.760 -17.386 1.00 0.00 H new ATOM 0 HA ALA A 22 -13.229 15.458 -17.255 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.209 14.831 -15.119 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.786 14.036 -15.338 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.284 13.113 -15.577 1.00 0.00 H new ATOM 372 N PRO A 23 -10.691 15.765 -17.408 1.00 0.00 N ATOM 373 CA PRO A 23 -9.339 16.026 -17.873 1.00 0.00 C ATOM 374 C PRO A 23 -8.321 15.193 -17.091 1.00 0.00 C ATOM 375 O PRO A 23 -7.214 14.951 -17.570 1.00 0.00 O ATOM 376 CB PRO A 23 -9.144 17.523 -17.695 1.00 0.00 C ATOM 377 CG PRO A 23 -10.214 17.969 -16.712 1.00 0.00 C ATOM 378 CD PRO A 23 -11.231 16.846 -16.589 1.00 0.00 C ATOM 0 HA PRO A 23 -9.189 15.740 -18.914 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -8.147 17.744 -17.314 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -9.245 18.046 -18.646 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -9.772 18.191 -15.741 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -10.695 18.883 -17.060 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -11.353 16.534 -15.552 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -12.212 17.160 -16.945 1.00 0.00 H new ATOM 386 N GLY A 24 -8.732 14.778 -15.902 1.00 0.00 N ATOM 387 CA GLY A 24 -7.869 13.978 -15.050 1.00 0.00 C ATOM 388 C GLY A 24 -7.492 12.662 -15.733 1.00 0.00 C ATOM 389 O GLY A 24 -6.355 12.204 -15.622 1.00 0.00 O ATOM 0 H GLY A 24 -9.651 14.981 -15.509 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -6.966 14.540 -14.811 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -8.374 13.771 -14.107 1.00 0.00 H new ATOM 393 N ASN A 25 -8.467 12.090 -16.424 1.00 0.00 N ATOM 394 CA ASN A 25 -8.252 10.836 -17.125 1.00 0.00 C ATOM 395 C ASN A 25 -8.036 11.118 -18.613 1.00 0.00 C ATOM 396 O ASN A 25 -8.319 12.217 -19.087 1.00 0.00 O ATOM 397 CB ASN A 25 -9.465 9.914 -16.990 1.00 0.00 C ATOM 398 CG ASN A 25 -9.618 9.416 -15.551 1.00 0.00 C ATOM 399 OD1 ASN A 25 -8.927 8.516 -15.101 1.00 0.00 O ATOM 400 ND2 ASN A 25 -10.559 10.049 -14.856 1.00 0.00 N ATOM 0 H ASN A 25 -9.408 12.472 -16.513 1.00 0.00 H new ATOM 0 HA ASN A 25 -7.380 10.351 -16.687 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -10.367 10.447 -17.292 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -9.357 9.064 -17.663 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -10.738 9.790 -13.886 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -11.102 10.794 -15.293 1.00 0.00 H new ATOM 407 N MET A 26 -7.537 10.107 -19.308 1.00 0.00 N ATOM 408 CA MET A 26 -7.280 10.233 -20.733 1.00 0.00 C ATOM 409 C MET A 26 -7.415 8.881 -21.436 1.00 0.00 C ATOM 410 O MET A 26 -7.433 7.837 -20.785 1.00 0.00 O ATOM 411 CB MET A 26 -5.870 10.784 -20.951 1.00 0.00 C ATOM 412 CG MET A 26 -4.811 9.745 -20.577 1.00 0.00 C ATOM 413 SD MET A 26 -3.542 10.499 -19.575 1.00 0.00 S ATOM 414 CE MET A 26 -2.172 9.415 -19.942 1.00 0.00 C ATOM 0 H MET A 26 -7.304 9.197 -18.911 1.00 0.00 H new ATOM 0 HA MET A 26 -8.016 10.917 -21.157 1.00 0.00 H new ATOM 0 HB2 MET A 26 -5.747 11.075 -21.994 1.00 0.00 H new ATOM 0 HB3 MET A 26 -5.730 11.683 -20.351 1.00 0.00 H new ATOM 0 HG2 MET A 26 -5.274 8.922 -20.033 1.00 0.00 H new ATOM 0 HG3 MET A 26 -4.370 9.322 -21.480 1.00 0.00 H new ATOM 0 HE1 MET A 26 -1.290 9.745 -19.394 1.00 0.00 H new ATOM 0 HE2 MET A 26 -2.424 8.397 -19.645 1.00 0.00 H new ATOM 0 HE3 MET A 26 -1.965 9.440 -21.012 1.00 0.00 H new ATOM 424 N LEU A 27 -7.505 8.942 -22.756 1.00 0.00 N ATOM 425 CA LEU A 27 -7.637 7.736 -23.555 1.00 0.00 C ATOM 426 C LEU A 27 -6.732 6.646 -22.978 1.00 0.00 C ATOM 427 O LEU A 27 -5.509 6.781 -22.986 1.00 0.00 O ATOM 428 CB LEU A 27 -7.371 8.038 -25.031 1.00 0.00 C ATOM 429 CG LEU A 27 -8.608 8.255 -25.905 1.00 0.00 C ATOM 430 CD1 LEU A 27 -8.561 9.620 -26.593 1.00 0.00 C ATOM 431 CD2 LEU A 27 -8.778 7.113 -26.908 1.00 0.00 C ATOM 0 H LEU A 27 -7.489 9.809 -23.293 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.659 7.360 -23.510 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -6.747 8.929 -25.092 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.793 7.215 -25.451 1.00 0.00 H new ATOM 0 HG LEU A 27 -9.487 8.250 -25.260 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -9.452 9.748 -27.208 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -8.524 10.406 -25.839 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.674 9.679 -27.223 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -9.664 7.292 -27.516 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.900 7.061 -27.552 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -8.891 6.171 -26.371 1.00 0.00 H new ATOM 443 N GLY A 28 -7.367 5.590 -22.490 1.00 0.00 N ATOM 444 CA GLY A 28 -6.634 4.478 -21.910 1.00 0.00 C ATOM 445 C GLY A 28 -7.111 4.191 -20.485 1.00 0.00 C ATOM 446 O GLY A 28 -6.916 3.090 -19.971 1.00 0.00 O ATOM 0 H GLY A 28 -8.381 5.481 -22.485 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -6.766 3.589 -22.527 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -5.568 4.705 -21.902 1.00 0.00 H new ATOM 450 N SER A 29 -7.727 5.200 -19.886 1.00 0.00 N ATOM 451 CA SER A 29 -8.233 5.070 -18.531 1.00 0.00 C ATOM 452 C SER A 29 -9.558 4.304 -18.538 1.00 0.00 C ATOM 453 O SER A 29 -10.493 4.681 -19.243 1.00 0.00 O ATOM 454 CB SER A 29 -8.416 6.441 -17.877 1.00 0.00 C ATOM 455 OG SER A 29 -7.254 7.254 -18.008 1.00 0.00 O ATOM 0 H SER A 29 -7.887 6.111 -20.315 1.00 0.00 H new ATOM 0 HA SER A 29 -7.502 4.513 -17.945 1.00 0.00 H new ATOM 0 HB2 SER A 29 -9.267 6.949 -18.331 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.650 6.310 -16.820 1.00 0.00 H new ATOM 0 HG SER A 29 -7.083 7.429 -18.957 1.00 0.00 H new ATOM 461 N PHE A 30 -9.596 3.243 -17.745 1.00 0.00 N ATOM 462 CA PHE A 30 -10.790 2.421 -17.652 1.00 0.00 C ATOM 463 C PHE A 30 -11.324 2.391 -16.218 1.00 0.00 C ATOM 464 O PHE A 30 -10.577 2.623 -15.269 1.00 0.00 O ATOM 465 CB PHE A 30 -10.391 1.003 -18.065 1.00 0.00 C ATOM 466 CG PHE A 30 -9.469 0.301 -17.067 1.00 0.00 C ATOM 467 CD1 PHE A 30 -9.998 -0.397 -16.026 1.00 0.00 C ATOM 468 CD2 PHE A 30 -8.120 0.374 -17.220 1.00 0.00 C ATOM 469 CE1 PHE A 30 -9.142 -1.049 -15.100 1.00 0.00 C ATOM 470 CE2 PHE A 30 -7.264 -0.278 -16.293 1.00 0.00 C ATOM 471 CZ PHE A 30 -7.793 -0.976 -15.253 1.00 0.00 C ATOM 0 H PHE A 30 -8.819 2.934 -17.161 1.00 0.00 H new ATOM 0 HA PHE A 30 -11.572 2.826 -18.294 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -11.293 0.405 -18.193 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -9.896 1.044 -19.035 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -11.070 -0.455 -15.904 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -7.699 0.928 -18.046 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -9.562 -1.603 -14.274 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -6.192 -0.219 -16.414 1.00 0.00 H new ATOM 0 HZ PHE A 30 -7.142 -1.472 -14.549 1.00 0.00 H new ATOM 481 N MET A 31 -12.612 2.103 -16.106 1.00 0.00 N ATOM 482 CA MET A 31 -13.255 2.040 -14.804 1.00 0.00 C ATOM 483 C MET A 31 -14.399 1.024 -14.807 1.00 0.00 C ATOM 484 O MET A 31 -15.081 0.854 -15.816 1.00 0.00 O ATOM 485 CB MET A 31 -13.798 3.421 -14.435 1.00 0.00 C ATOM 486 CG MET A 31 -14.750 3.942 -15.514 1.00 0.00 C ATOM 487 SD MET A 31 -16.210 4.637 -14.757 1.00 0.00 S ATOM 488 CE MET A 31 -15.470 5.959 -13.812 1.00 0.00 C ATOM 0 H MET A 31 -13.228 1.911 -16.896 1.00 0.00 H new ATOM 0 HA MET A 31 -12.515 1.724 -14.069 1.00 0.00 H new ATOM 0 HB2 MET A 31 -14.320 3.367 -13.480 1.00 0.00 H new ATOM 0 HB3 MET A 31 -12.971 4.119 -14.307 1.00 0.00 H new ATOM 0 HG2 MET A 31 -14.249 4.698 -16.118 1.00 0.00 H new ATOM 0 HG3 MET A 31 -15.030 3.131 -16.186 1.00 0.00 H new ATOM 0 HE1 MET A 31 -16.252 6.616 -13.432 1.00 0.00 H new ATOM 0 HE2 MET A 31 -14.910 5.540 -12.976 1.00 0.00 H new ATOM 0 HE3 MET A 31 -14.795 6.529 -14.451 1.00 0.00 H new ATOM 498 N ILE A 32 -14.575 0.376 -13.665 1.00 0.00 N ATOM 499 CA ILE A 32 -15.625 -0.618 -13.522 1.00 0.00 C ATOM 500 C ILE A 32 -16.631 -0.144 -12.471 1.00 0.00 C ATOM 501 O ILE A 32 -16.261 0.537 -11.516 1.00 0.00 O ATOM 502 CB ILE A 32 -15.024 -1.993 -13.223 1.00 0.00 C ATOM 503 CG1 ILE A 32 -14.210 -2.507 -14.412 1.00 0.00 C ATOM 504 CG2 ILE A 32 -16.109 -2.985 -12.799 1.00 0.00 C ATOM 505 CD1 ILE A 32 -13.265 -3.632 -13.985 1.00 0.00 C ATOM 0 H ILE A 32 -14.008 0.520 -12.830 1.00 0.00 H new ATOM 0 HA ILE A 32 -16.172 -0.732 -14.458 1.00 0.00 H new ATOM 0 HB ILE A 32 -14.336 -1.890 -12.384 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -14.883 -2.868 -15.189 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -13.635 -1.688 -14.844 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -15.655 -3.954 -12.592 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -16.606 -2.618 -11.901 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -16.840 -3.090 -13.601 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -12.699 -3.979 -14.849 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -12.577 -3.261 -13.225 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -13.845 -4.459 -13.576 1.00 0.00 H new ATOM 517 N ARG A 33 -17.882 -0.524 -12.683 1.00 0.00 N ATOM 518 CA ARG A 33 -18.944 -0.146 -11.766 1.00 0.00 C ATOM 519 C ARG A 33 -20.047 -1.206 -11.765 1.00 0.00 C ATOM 520 O ARG A 33 -20.235 -1.912 -12.755 1.00 0.00 O ATOM 521 CB ARG A 33 -19.547 1.207 -12.148 1.00 0.00 C ATOM 522 CG ARG A 33 -20.371 1.097 -13.432 1.00 0.00 C ATOM 523 CD ARG A 33 -21.111 2.405 -13.723 1.00 0.00 C ATOM 524 NE ARG A 33 -21.449 2.486 -15.161 1.00 0.00 N ATOM 525 CZ ARG A 33 -22.450 1.806 -15.737 1.00 0.00 C ATOM 526 NH1 ARG A 33 -23.217 0.991 -15.000 1.00 0.00 N ATOM 527 NH2 ARG A 33 -22.684 1.942 -17.049 1.00 0.00 N ATOM 0 H ARG A 33 -18.184 -1.090 -13.476 1.00 0.00 H new ATOM 0 HA ARG A 33 -18.509 -0.068 -10.770 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -20.178 1.570 -11.337 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -18.751 1.939 -12.284 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -19.717 0.852 -14.268 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -21.089 0.282 -13.339 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -22.020 2.459 -13.124 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -20.490 3.255 -13.438 1.00 0.00 H new ATOM 0 HE ARG A 33 -20.885 3.098 -15.751 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -23.039 0.888 -14.001 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -23.979 0.473 -15.438 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -22.100 2.563 -17.609 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -23.446 1.425 -17.488 1.00 0.00 H new ATOM 541 N ASP A 34 -20.748 -1.285 -10.644 1.00 0.00 N ATOM 542 CA ASP A 34 -21.828 -2.247 -10.501 1.00 0.00 C ATOM 543 C ASP A 34 -23.141 -1.602 -10.949 1.00 0.00 C ATOM 544 O ASP A 34 -23.311 -0.389 -10.838 1.00 0.00 O ATOM 545 CB ASP A 34 -21.988 -2.684 -9.044 1.00 0.00 C ATOM 546 CG ASP A 34 -22.681 -4.033 -8.846 1.00 0.00 C ATOM 547 OD1 ASP A 34 -23.901 -4.089 -9.111 1.00 0.00 O ATOM 548 OD2 ASP A 34 -21.974 -4.979 -8.435 1.00 0.00 O ATOM 0 H ASP A 34 -20.589 -0.698 -9.825 1.00 0.00 H new ATOM 0 HA ASP A 34 -21.588 -3.117 -11.113 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -21.001 -2.728 -8.583 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -22.554 -1.920 -8.511 1.00 0.00 H new ATOM 553 N SER A 35 -24.037 -2.443 -11.444 1.00 0.00 N ATOM 554 CA SER A 35 -25.331 -1.971 -11.909 1.00 0.00 C ATOM 555 C SER A 35 -26.124 -1.384 -10.739 1.00 0.00 C ATOM 556 O SER A 35 -25.935 -1.787 -9.592 1.00 0.00 O ATOM 557 CB SER A 35 -26.122 -3.098 -12.575 1.00 0.00 C ATOM 558 OG SER A 35 -27.343 -2.630 -13.141 1.00 0.00 O ATOM 0 H SER A 35 -23.893 -3.449 -11.533 1.00 0.00 H new ATOM 0 HA SER A 35 -25.164 -1.193 -12.654 1.00 0.00 H new ATOM 0 HB2 SER A 35 -25.513 -3.557 -13.354 1.00 0.00 H new ATOM 0 HB3 SER A 35 -26.337 -3.874 -11.840 1.00 0.00 H new ATOM 0 HG SER A 35 -27.416 -2.944 -14.067 1.00 0.00 H new ATOM 564 N GLU A 36 -26.995 -0.442 -11.070 1.00 0.00 N ATOM 565 CA GLU A 36 -27.818 0.203 -10.061 1.00 0.00 C ATOM 566 C GLU A 36 -29.215 -0.421 -10.036 1.00 0.00 C ATOM 567 O GLU A 36 -29.722 -0.774 -8.973 1.00 0.00 O ATOM 568 CB GLU A 36 -27.897 1.712 -10.302 1.00 0.00 C ATOM 569 CG GLU A 36 -29.037 2.337 -9.495 1.00 0.00 C ATOM 570 CD GLU A 36 -28.573 3.612 -8.788 1.00 0.00 C ATOM 571 OE1 GLU A 36 -27.900 3.470 -7.745 1.00 0.00 O ATOM 572 OE2 GLU A 36 -28.903 4.701 -9.307 1.00 0.00 O ATOM 0 H GLU A 36 -27.149 -0.110 -12.022 1.00 0.00 H new ATOM 0 HA GLU A 36 -27.354 0.046 -9.087 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -26.952 2.178 -10.024 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -28.049 1.907 -11.364 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -29.872 2.567 -10.157 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -29.402 1.621 -8.759 1.00 0.00 H new ATOM 579 N THR A 37 -29.797 -0.539 -11.221 1.00 0.00 N ATOM 580 CA THR A 37 -31.125 -1.115 -11.348 1.00 0.00 C ATOM 581 C THR A 37 -31.043 -2.642 -11.377 1.00 0.00 C ATOM 582 O THR A 37 -31.631 -3.315 -10.532 1.00 0.00 O ATOM 583 CB THR A 37 -31.782 -0.517 -12.594 1.00 0.00 C ATOM 584 OG1 THR A 37 -30.844 -0.772 -13.637 1.00 0.00 O ATOM 585 CG2 THR A 37 -31.869 1.009 -12.536 1.00 0.00 C ATOM 0 H THR A 37 -29.373 -0.246 -12.101 1.00 0.00 H new ATOM 0 HA THR A 37 -31.747 -0.871 -10.487 1.00 0.00 H new ATOM 0 HB THR A 37 -32.783 -0.933 -12.711 1.00 0.00 H new ATOM 0 HG1 THR A 37 -31.191 -0.418 -14.483 1.00 0.00 H new ATOM 0 HG21 THR A 37 -32.343 1.381 -13.444 1.00 0.00 H new ATOM 0 HG22 THR A 37 -32.460 1.307 -11.670 1.00 0.00 H new ATOM 0 HG23 THR A 37 -30.866 1.428 -12.452 1.00 0.00 H new ATOM 593 N THR A 38 -30.309 -3.145 -12.359 1.00 0.00 N ATOM 594 CA THR A 38 -30.143 -4.581 -12.509 1.00 0.00 C ATOM 595 C THR A 38 -28.975 -5.075 -11.654 1.00 0.00 C ATOM 596 O THR A 38 -27.961 -5.528 -12.183 1.00 0.00 O ATOM 597 CB THR A 38 -29.976 -4.884 -13.999 1.00 0.00 C ATOM 598 OG1 THR A 38 -31.266 -4.638 -14.551 1.00 0.00 O ATOM 599 CG2 THR A 38 -29.731 -6.370 -14.271 1.00 0.00 C ATOM 0 H THR A 38 -29.823 -2.584 -13.058 1.00 0.00 H new ATOM 0 HA THR A 38 -31.019 -5.120 -12.149 1.00 0.00 H new ATOM 0 HB THR A 38 -29.145 -4.301 -14.396 1.00 0.00 H new ATOM 0 HG1 THR A 38 -31.247 -4.809 -15.516 1.00 0.00 H new ATOM 0 HG21 THR A 38 -29.620 -6.530 -15.343 1.00 0.00 H new ATOM 0 HG22 THR A 38 -28.822 -6.688 -13.760 1.00 0.00 H new ATOM 0 HG23 THR A 38 -30.577 -6.951 -13.903 1.00 0.00 H new ATOM 607 N LYS A 39 -29.156 -4.971 -10.345 1.00 0.00 N ATOM 608 CA LYS A 39 -28.130 -5.402 -9.411 1.00 0.00 C ATOM 609 C LYS A 39 -27.705 -6.832 -9.751 1.00 0.00 C ATOM 610 O LYS A 39 -28.476 -7.590 -10.337 1.00 0.00 O ATOM 611 CB LYS A 39 -28.611 -5.230 -7.969 1.00 0.00 C ATOM 612 CG LYS A 39 -29.917 -5.990 -7.733 1.00 0.00 C ATOM 613 CD LYS A 39 -29.821 -6.872 -6.487 1.00 0.00 C ATOM 614 CE LYS A 39 -31.203 -7.112 -5.876 1.00 0.00 C ATOM 615 NZ LYS A 39 -31.085 -7.863 -4.606 1.00 0.00 N ATOM 0 H LYS A 39 -29.998 -4.594 -9.910 1.00 0.00 H new ATOM 0 HA LYS A 39 -27.243 -4.775 -9.504 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -27.846 -5.591 -7.281 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -28.758 -4.171 -7.755 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -30.738 -5.282 -7.619 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -30.145 -6.606 -8.602 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -29.364 -7.827 -6.747 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -29.172 -6.398 -5.751 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -31.698 -6.158 -5.696 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -31.826 -7.667 -6.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -32.032 -8.017 -4.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -30.632 -8.781 -4.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -30.508 -7.319 -3.933 1.00 0.00 H new ATOM 629 N GLY A 40 -26.479 -7.158 -9.368 1.00 0.00 N ATOM 630 CA GLY A 40 -25.942 -8.483 -9.625 1.00 0.00 C ATOM 631 C GLY A 40 -25.119 -8.501 -10.915 1.00 0.00 C ATOM 632 O GLY A 40 -24.318 -9.409 -11.132 1.00 0.00 O ATOM 0 H GLY A 40 -25.842 -6.527 -8.882 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -25.318 -8.795 -8.787 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -26.758 -9.202 -9.700 1.00 0.00 H new ATOM 636 N SER A 41 -25.345 -7.487 -11.737 1.00 0.00 N ATOM 637 CA SER A 41 -24.634 -7.375 -13.000 1.00 0.00 C ATOM 638 C SER A 41 -23.667 -6.190 -12.953 1.00 0.00 C ATOM 639 O SER A 41 -23.971 -5.160 -12.353 1.00 0.00 O ATOM 640 CB SER A 41 -25.609 -7.218 -14.169 1.00 0.00 C ATOM 641 OG SER A 41 -26.485 -8.336 -14.287 1.00 0.00 O ATOM 0 H SER A 41 -26.010 -6.736 -11.554 1.00 0.00 H new ATOM 0 HA SER A 41 -24.067 -8.293 -13.156 1.00 0.00 H new ATOM 0 HB2 SER A 41 -26.196 -6.310 -14.032 1.00 0.00 H new ATOM 0 HB3 SER A 41 -25.048 -7.098 -15.096 1.00 0.00 H new ATOM 0 HG SER A 41 -27.093 -8.197 -15.043 1.00 0.00 H new ATOM 647 N TYR A 42 -22.522 -6.376 -13.593 1.00 0.00 N ATOM 648 CA TYR A 42 -21.509 -5.336 -13.632 1.00 0.00 C ATOM 649 C TYR A 42 -21.429 -4.700 -15.021 1.00 0.00 C ATOM 650 O TYR A 42 -21.902 -5.276 -16.000 1.00 0.00 O ATOM 651 CB TYR A 42 -20.180 -6.030 -13.325 1.00 0.00 C ATOM 652 CG TYR A 42 -19.891 -6.186 -11.831 1.00 0.00 C ATOM 653 CD1 TYR A 42 -20.526 -7.172 -11.104 1.00 0.00 C ATOM 654 CD2 TYR A 42 -18.994 -5.340 -11.210 1.00 0.00 C ATOM 655 CE1 TYR A 42 -20.253 -7.319 -9.698 1.00 0.00 C ATOM 656 CE2 TYR A 42 -18.722 -5.487 -9.803 1.00 0.00 C ATOM 657 CZ TYR A 42 -19.365 -6.469 -9.117 1.00 0.00 C ATOM 658 OH TYR A 42 -19.107 -6.607 -7.788 1.00 0.00 O ATOM 0 H TYR A 42 -22.274 -7.232 -14.089 1.00 0.00 H new ATOM 0 HA TYR A 42 -21.743 -4.546 -12.919 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -20.181 -7.016 -13.789 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -19.371 -5.462 -13.784 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -21.228 -7.834 -11.590 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -18.496 -4.568 -11.779 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -20.743 -8.087 -9.118 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -18.023 -4.832 -9.304 1.00 0.00 H new ATOM 0 HH TYR A 42 -18.453 -5.932 -7.510 1.00 0.00 H new ATOM 668 N SER A 43 -20.828 -3.520 -15.063 1.00 0.00 N ATOM 669 CA SER A 43 -20.680 -2.799 -16.316 1.00 0.00 C ATOM 670 C SER A 43 -19.341 -2.058 -16.339 1.00 0.00 C ATOM 671 O SER A 43 -19.061 -1.248 -15.457 1.00 0.00 O ATOM 672 CB SER A 43 -21.834 -1.817 -16.526 1.00 0.00 C ATOM 673 OG SER A 43 -23.098 -2.408 -16.237 1.00 0.00 O ATOM 0 H SER A 43 -20.438 -3.045 -14.249 1.00 0.00 H new ATOM 0 HA SER A 43 -20.701 -3.522 -17.131 1.00 0.00 H new ATOM 0 HB2 SER A 43 -21.688 -0.945 -15.889 1.00 0.00 H new ATOM 0 HB3 SER A 43 -21.826 -1.464 -17.557 1.00 0.00 H new ATOM 0 HG SER A 43 -23.808 -1.748 -16.382 1.00 0.00 H new ATOM 679 N LEU A 44 -18.550 -2.363 -17.356 1.00 0.00 N ATOM 680 CA LEU A 44 -17.247 -1.737 -17.506 1.00 0.00 C ATOM 681 C LEU A 44 -17.380 -0.501 -18.398 1.00 0.00 C ATOM 682 O LEU A 44 -18.278 -0.429 -19.236 1.00 0.00 O ATOM 683 CB LEU A 44 -16.219 -2.751 -18.010 1.00 0.00 C ATOM 684 CG LEU A 44 -14.869 -2.178 -18.445 1.00 0.00 C ATOM 685 CD1 LEU A 44 -14.201 -1.418 -17.297 1.00 0.00 C ATOM 686 CD2 LEU A 44 -13.964 -3.275 -19.009 1.00 0.00 C ATOM 0 H LEU A 44 -18.786 -3.036 -18.085 1.00 0.00 H new ATOM 0 HA LEU A 44 -16.875 -1.396 -16.540 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -16.044 -3.483 -17.222 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -16.652 -3.289 -18.854 1.00 0.00 H new ATOM 0 HG LEU A 44 -15.044 -1.461 -19.247 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -13.243 -1.021 -17.632 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -14.844 -0.596 -16.982 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -14.039 -2.095 -16.458 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -13.011 -2.841 -19.311 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -13.792 -4.033 -18.245 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -14.444 -3.734 -19.874 1.00 0.00 H new ATOM 698 N SER A 45 -16.473 0.442 -18.187 1.00 0.00 N ATOM 699 CA SER A 45 -16.478 1.671 -18.962 1.00 0.00 C ATOM 700 C SER A 45 -15.042 2.122 -19.236 1.00 0.00 C ATOM 701 O SER A 45 -14.240 2.248 -18.313 1.00 0.00 O ATOM 702 CB SER A 45 -17.252 2.775 -18.239 1.00 0.00 C ATOM 703 OG SER A 45 -18.410 2.271 -17.579 1.00 0.00 O ATOM 0 H SER A 45 -15.730 0.380 -17.491 1.00 0.00 H new ATOM 0 HA SER A 45 -16.978 1.475 -19.910 1.00 0.00 H new ATOM 0 HB2 SER A 45 -16.600 3.257 -17.510 1.00 0.00 H new ATOM 0 HB3 SER A 45 -17.548 3.540 -18.957 1.00 0.00 H new ATOM 0 HG SER A 45 -18.876 3.006 -17.128 1.00 0.00 H new ATOM 709 N VAL A 46 -14.761 2.352 -20.511 1.00 0.00 N ATOM 710 CA VAL A 46 -13.436 2.786 -20.918 1.00 0.00 C ATOM 711 C VAL A 46 -13.563 4.004 -21.837 1.00 0.00 C ATOM 712 O VAL A 46 -14.590 4.191 -22.487 1.00 0.00 O ATOM 713 CB VAL A 46 -12.681 1.624 -21.567 1.00 0.00 C ATOM 714 CG1 VAL A 46 -11.175 1.893 -21.590 1.00 0.00 C ATOM 715 CG2 VAL A 46 -12.992 0.305 -20.858 1.00 0.00 C ATOM 0 H VAL A 46 -15.429 2.246 -21.275 1.00 0.00 H new ATOM 0 HA VAL A 46 -12.851 3.092 -20.051 1.00 0.00 H new ATOM 0 HB VAL A 46 -13.021 1.538 -22.599 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -10.662 1.052 -22.056 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -10.976 2.800 -22.160 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -10.812 2.019 -20.570 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -12.443 -0.505 -21.339 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -12.693 0.375 -19.812 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -14.062 0.103 -20.917 1.00 0.00 H new ATOM 725 N ARG A 47 -12.504 4.800 -21.861 1.00 0.00 N ATOM 726 CA ARG A 47 -12.484 5.994 -22.688 1.00 0.00 C ATOM 727 C ARG A 47 -12.032 5.647 -24.109 1.00 0.00 C ATOM 728 O ARG A 47 -11.131 4.831 -24.296 1.00 0.00 O ATOM 729 CB ARG A 47 -11.545 7.052 -22.106 1.00 0.00 C ATOM 730 CG ARG A 47 -11.524 8.308 -22.980 1.00 0.00 C ATOM 731 CD ARG A 47 -11.477 9.573 -22.121 1.00 0.00 C ATOM 732 NE ARG A 47 -11.343 10.767 -22.985 1.00 0.00 N ATOM 733 CZ ARG A 47 -11.308 12.026 -22.527 1.00 0.00 C ATOM 734 NH1 ARG A 47 -11.396 12.263 -21.212 1.00 0.00 N ATOM 735 NH2 ARG A 47 -11.184 13.047 -23.385 1.00 0.00 N ATOM 0 H ARG A 47 -11.654 4.641 -21.321 1.00 0.00 H new ATOM 0 HA ARG A 47 -13.496 6.398 -22.712 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -11.865 7.312 -21.097 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -10.537 6.644 -22.025 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -10.658 8.281 -23.641 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -12.410 8.328 -23.615 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -12.383 9.648 -21.520 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -10.638 9.520 -21.427 1.00 0.00 H new ATOM 0 HE ARG A 47 -11.273 10.623 -23.992 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -11.490 11.485 -20.559 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -11.369 13.221 -20.864 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -11.116 12.866 -24.387 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -11.157 14.005 -23.037 1.00 0.00 H new ATOM 749 N ASP A 48 -12.679 6.285 -25.073 1.00 0.00 N ATOM 750 CA ASP A 48 -12.356 6.055 -26.471 1.00 0.00 C ATOM 751 C ASP A 48 -12.579 7.346 -27.261 1.00 0.00 C ATOM 752 O ASP A 48 -13.285 8.244 -26.803 1.00 0.00 O ATOM 753 CB ASP A 48 -13.253 4.971 -27.072 1.00 0.00 C ATOM 754 CG ASP A 48 -12.853 4.506 -28.474 1.00 0.00 C ATOM 755 OD1 ASP A 48 -12.031 3.567 -28.547 1.00 0.00 O ATOM 756 OD2 ASP A 48 -13.378 5.100 -29.440 1.00 0.00 O ATOM 0 H ASP A 48 -13.426 6.961 -24.914 1.00 0.00 H new ATOM 0 HA ASP A 48 -11.316 5.735 -26.529 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -13.252 4.109 -26.405 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -14.276 5.345 -27.108 1.00 0.00 H new ATOM 761 N TYR A 49 -11.965 7.398 -28.434 1.00 0.00 N ATOM 762 CA TYR A 49 -12.088 8.564 -29.292 1.00 0.00 C ATOM 763 C TYR A 49 -12.361 8.153 -30.740 1.00 0.00 C ATOM 764 O TYR A 49 -12.039 7.036 -31.143 1.00 0.00 O ATOM 765 CB TYR A 49 -10.739 9.282 -29.223 1.00 0.00 C ATOM 766 CG TYR A 49 -10.764 10.709 -29.776 1.00 0.00 C ATOM 767 CD1 TYR A 49 -10.786 10.921 -31.139 1.00 0.00 C ATOM 768 CD2 TYR A 49 -10.766 11.784 -28.910 1.00 0.00 C ATOM 769 CE1 TYR A 49 -10.810 12.264 -31.659 1.00 0.00 C ATOM 770 CE2 TYR A 49 -10.790 13.127 -29.430 1.00 0.00 C ATOM 771 CZ TYR A 49 -10.811 13.300 -30.779 1.00 0.00 C ATOM 772 OH TYR A 49 -10.834 14.568 -31.269 1.00 0.00 O ATOM 0 H TYR A 49 -11.381 6.651 -28.810 1.00 0.00 H new ATOM 0 HA TYR A 49 -12.915 9.195 -28.966 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -10.407 9.311 -28.185 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -10.001 8.702 -29.777 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -10.785 10.080 -31.816 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -10.750 11.618 -27.843 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -10.827 12.444 -32.724 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -10.791 13.977 -28.764 1.00 0.00 H new ATOM 0 HH TYR A 49 -10.833 15.206 -30.525 1.00 0.00 H new ATOM 782 N ASP A 50 -12.951 9.078 -31.483 1.00 0.00 N ATOM 783 CA ASP A 50 -13.270 8.825 -32.878 1.00 0.00 C ATOM 784 C ASP A 50 -12.839 10.027 -33.721 1.00 0.00 C ATOM 785 O ASP A 50 -12.950 11.170 -33.281 1.00 0.00 O ATOM 786 CB ASP A 50 -14.775 8.628 -33.071 1.00 0.00 C ATOM 787 CG ASP A 50 -15.163 7.678 -34.206 1.00 0.00 C ATOM 788 OD1 ASP A 50 -14.464 6.652 -34.350 1.00 0.00 O ATOM 789 OD2 ASP A 50 -16.149 8.000 -34.904 1.00 0.00 O ATOM 0 H ASP A 50 -13.216 10.003 -31.146 1.00 0.00 H new ATOM 0 HA ASP A 50 -12.745 7.921 -33.186 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -15.199 8.250 -32.141 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -15.232 9.600 -33.258 1.00 0.00 H new ATOM 794 N PRO A 51 -12.342 9.718 -34.949 1.00 0.00 N ATOM 795 CA PRO A 51 -11.893 10.759 -35.858 1.00 0.00 C ATOM 796 C PRO A 51 -13.082 11.491 -36.484 1.00 0.00 C ATOM 797 O PRO A 51 -12.901 12.431 -37.256 1.00 0.00 O ATOM 798 CB PRO A 51 -11.031 10.042 -36.883 1.00 0.00 C ATOM 799 CG PRO A 51 -11.404 8.571 -36.785 1.00 0.00 C ATOM 800 CD PRO A 51 -12.196 8.376 -35.503 1.00 0.00 C ATOM 0 HA PRO A 51 -11.323 11.540 -35.354 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -11.216 10.426 -37.886 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -9.971 10.191 -36.675 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -11.996 8.269 -37.649 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -10.508 7.950 -36.779 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -13.167 7.922 -35.703 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -11.672 7.717 -34.811 1.00 0.00 H new ATOM 808 N ARG A 52 -14.273 11.032 -36.127 1.00 0.00 N ATOM 809 CA ARG A 52 -15.492 11.631 -36.644 1.00 0.00 C ATOM 810 C ARG A 52 -16.174 12.467 -35.559 1.00 0.00 C ATOM 811 O ARG A 52 -16.350 13.674 -35.720 1.00 0.00 O ATOM 812 CB ARG A 52 -16.465 10.560 -37.140 1.00 0.00 C ATOM 813 CG ARG A 52 -16.169 10.181 -38.592 1.00 0.00 C ATOM 814 CD ARG A 52 -15.984 8.669 -38.738 1.00 0.00 C ATOM 815 NE ARG A 52 -16.339 8.245 -40.110 1.00 0.00 N ATOM 816 CZ ARG A 52 -17.585 7.955 -40.508 1.00 0.00 C ATOM 817 NH1 ARG A 52 -18.603 8.041 -39.640 1.00 0.00 N ATOM 818 NH2 ARG A 52 -17.815 7.579 -41.773 1.00 0.00 N ATOM 0 H ARG A 52 -14.420 10.252 -35.486 1.00 0.00 H new ATOM 0 HA ARG A 52 -15.217 12.271 -37.482 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -16.391 9.676 -36.507 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -17.488 10.927 -37.057 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -16.986 10.514 -39.232 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -15.269 10.695 -38.929 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -14.951 8.398 -38.521 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -16.609 8.146 -38.014 1.00 0.00 H new ATOM 0 HE ARG A 52 -15.588 8.169 -40.796 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -18.429 8.327 -38.677 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -19.552 7.820 -39.943 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -17.041 7.513 -42.434 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -18.764 7.358 -42.075 1.00 0.00 H new ATOM 832 N GLN A 53 -16.539 11.793 -34.479 1.00 0.00 N ATOM 833 CA GLN A 53 -17.198 12.458 -33.368 1.00 0.00 C ATOM 834 C GLN A 53 -16.169 13.181 -32.496 1.00 0.00 C ATOM 835 O GLN A 53 -16.245 14.395 -32.318 1.00 0.00 O ATOM 836 CB GLN A 53 -18.016 11.464 -32.541 1.00 0.00 C ATOM 837 CG GLN A 53 -19.248 10.990 -33.315 1.00 0.00 C ATOM 838 CD GLN A 53 -20.534 11.320 -32.555 1.00 0.00 C ATOM 839 OE1 GLN A 53 -20.520 11.707 -31.399 1.00 0.00 O ATOM 840 NE2 GLN A 53 -21.643 11.145 -33.268 1.00 0.00 N ATOM 0 H GLN A 53 -16.391 10.792 -34.349 1.00 0.00 H new ATOM 0 HA GLN A 53 -17.888 13.199 -33.771 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -17.396 10.607 -32.278 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -18.327 11.932 -31.607 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -19.270 11.464 -34.296 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -19.186 9.915 -33.482 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -21.583 10.818 -34.232 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -22.553 11.338 -32.851 1.00 0.00 H new ATOM 849 N GLY A 54 -15.231 12.403 -31.976 1.00 0.00 N ATOM 850 CA GLY A 54 -14.188 12.953 -31.127 1.00 0.00 C ATOM 851 C GLY A 54 -14.053 12.149 -29.833 1.00 0.00 C ATOM 852 O GLY A 54 -13.806 10.945 -29.869 1.00 0.00 O ATOM 0 H GLY A 54 -15.172 11.396 -32.126 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -13.239 12.949 -31.662 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -14.417 13.992 -30.891 1.00 0.00 H new ATOM 856 N ASP A 55 -14.222 12.847 -28.720 1.00 0.00 N ATOM 857 CA ASP A 55 -14.122 12.213 -27.416 1.00 0.00 C ATOM 858 C ASP A 55 -15.394 11.405 -27.148 1.00 0.00 C ATOM 859 O ASP A 55 -16.502 11.910 -27.321 1.00 0.00 O ATOM 860 CB ASP A 55 -13.982 13.256 -26.306 1.00 0.00 C ATOM 861 CG ASP A 55 -12.662 14.030 -26.308 1.00 0.00 C ATOM 862 OD1 ASP A 55 -11.630 13.391 -26.602 1.00 0.00 O ATOM 863 OD2 ASP A 55 -12.716 15.245 -26.017 1.00 0.00 O ATOM 0 H ASP A 55 -14.428 13.846 -28.694 1.00 0.00 H new ATOM 0 HA ASP A 55 -13.242 11.570 -27.420 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -14.803 13.968 -26.391 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -14.092 12.757 -25.343 1.00 0.00 H new ATOM 868 N THR A 56 -15.191 10.164 -26.730 1.00 0.00 N ATOM 869 CA THR A 56 -16.307 9.282 -26.436 1.00 0.00 C ATOM 870 C THR A 56 -15.941 8.317 -25.307 1.00 0.00 C ATOM 871 O THR A 56 -14.780 8.233 -24.909 1.00 0.00 O ATOM 872 CB THR A 56 -16.705 8.576 -27.734 1.00 0.00 C ATOM 873 OG1 THR A 56 -15.700 7.582 -27.911 1.00 0.00 O ATOM 874 CG2 THR A 56 -16.557 9.478 -28.961 1.00 0.00 C ATOM 0 H THR A 56 -14.270 9.749 -26.588 1.00 0.00 H new ATOM 0 HA THR A 56 -17.170 9.842 -26.075 1.00 0.00 H new ATOM 0 HB THR A 56 -17.737 8.233 -27.658 1.00 0.00 H new ATOM 0 HG1 THR A 56 -14.842 7.921 -27.579 1.00 0.00 H new ATOM 0 HG21 THR A 56 -16.852 8.928 -29.855 1.00 0.00 H new ATOM 0 HG22 THR A 56 -17.195 10.355 -28.847 1.00 0.00 H new ATOM 0 HG23 THR A 56 -15.518 9.795 -29.057 1.00 0.00 H new ATOM 882 N VAL A 57 -16.953 7.613 -24.822 1.00 0.00 N ATOM 883 CA VAL A 57 -16.753 6.657 -23.747 1.00 0.00 C ATOM 884 C VAL A 57 -17.512 5.368 -24.067 1.00 0.00 C ATOM 885 O VAL A 57 -18.716 5.398 -24.317 1.00 0.00 O ATOM 886 CB VAL A 57 -17.166 7.278 -22.411 1.00 0.00 C ATOM 887 CG1 VAL A 57 -16.572 6.497 -21.236 1.00 0.00 C ATOM 888 CG2 VAL A 57 -16.768 8.753 -22.346 1.00 0.00 C ATOM 0 H VAL A 57 -17.915 7.686 -25.154 1.00 0.00 H new ATOM 0 HA VAL A 57 -15.698 6.398 -23.658 1.00 0.00 H new ATOM 0 HB VAL A 57 -18.252 7.221 -22.336 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -16.881 6.959 -20.298 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -16.927 5.467 -21.267 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -15.484 6.508 -21.305 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -17.073 9.170 -21.386 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -15.687 8.843 -22.454 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -17.260 9.298 -23.151 1.00 0.00 H new ATOM 898 N LYS A 58 -16.777 4.266 -24.050 1.00 0.00 N ATOM 899 CA LYS A 58 -17.366 2.968 -24.336 1.00 0.00 C ATOM 900 C LYS A 58 -17.834 2.326 -23.028 1.00 0.00 C ATOM 901 O LYS A 58 -17.338 2.664 -21.955 1.00 0.00 O ATOM 902 CB LYS A 58 -16.390 2.100 -25.132 1.00 0.00 C ATOM 903 CG LYS A 58 -16.472 2.413 -26.628 1.00 0.00 C ATOM 904 CD LYS A 58 -17.434 1.457 -27.336 1.00 0.00 C ATOM 905 CE LYS A 58 -18.886 1.894 -27.140 1.00 0.00 C ATOM 906 NZ LYS A 58 -19.663 1.685 -28.382 1.00 0.00 N ATOM 0 H LYS A 58 -15.779 4.245 -23.843 1.00 0.00 H new ATOM 0 HA LYS A 58 -18.246 3.080 -24.970 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -15.374 2.270 -24.777 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -16.615 1.047 -24.964 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -16.805 3.441 -26.770 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -15.481 2.334 -27.075 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -17.201 1.424 -28.400 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -17.299 0.447 -26.949 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -19.335 1.328 -26.324 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -18.920 2.946 -26.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -20.647 1.987 -28.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -19.243 2.244 -29.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -19.646 0.677 -28.637 1.00 0.00 H new ATOM 920 N HIS A 59 -18.783 1.412 -23.162 1.00 0.00 N ATOM 921 CA HIS A 59 -19.323 0.719 -22.005 1.00 0.00 C ATOM 922 C HIS A 59 -19.623 -0.736 -22.370 1.00 0.00 C ATOM 923 O HIS A 59 -20.267 -1.005 -23.383 1.00 0.00 O ATOM 924 CB HIS A 59 -20.546 1.455 -21.453 1.00 0.00 C ATOM 925 CG HIS A 59 -20.415 2.960 -21.467 1.00 0.00 C ATOM 926 ND1 HIS A 59 -20.139 3.821 -22.488 1.00 0.00 N flip ATOM 927 CD2 HIS A 59 -20.574 3.737 -20.333 1.00 0.00 C flip ATOM 928 CE1 HIS A 59 -20.130 5.057 -22.004 1.00 0.00 C flip ATOM 929 NE2 HIS A 59 -20.399 5.007 -20.668 1.00 0.00 N flip ATOM 0 H HIS A 59 -19.192 1.135 -24.054 1.00 0.00 H new ATOM 0 HA HIS A 59 -18.583 0.711 -21.205 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -21.422 1.171 -22.036 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -20.724 1.125 -20.429 1.00 0.00 H new ATOM 0 HD1 HIS A 59 -19.968 3.559 -23.459 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -20.802 3.370 -19.343 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -19.941 5.954 -22.574 1.00 0.00 H new ATOM 937 N TYR A 60 -19.140 -1.636 -21.527 1.00 0.00 N ATOM 938 CA TYR A 60 -19.347 -3.057 -21.748 1.00 0.00 C ATOM 939 C TYR A 60 -20.137 -3.682 -20.597 1.00 0.00 C ATOM 940 O TYR A 60 -20.291 -3.070 -19.541 1.00 0.00 O ATOM 941 CB TYR A 60 -17.953 -3.685 -21.795 1.00 0.00 C ATOM 942 CG TYR A 60 -17.021 -3.055 -22.832 1.00 0.00 C ATOM 943 CD1 TYR A 60 -17.296 -3.187 -24.178 1.00 0.00 C ATOM 944 CD2 TYR A 60 -15.905 -2.354 -22.422 1.00 0.00 C ATOM 945 CE1 TYR A 60 -16.419 -2.594 -25.154 1.00 0.00 C ATOM 946 CE2 TYR A 60 -15.028 -1.761 -23.398 1.00 0.00 C ATOM 947 CZ TYR A 60 -15.329 -1.910 -24.716 1.00 0.00 C ATOM 948 OH TYR A 60 -14.500 -1.350 -25.638 1.00 0.00 O ATOM 0 H TYR A 60 -18.605 -1.409 -20.689 1.00 0.00 H new ATOM 0 HA TYR A 60 -19.911 -3.224 -22.666 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -17.494 -3.600 -20.810 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -18.052 -4.749 -22.010 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -18.169 -3.735 -24.499 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -15.689 -2.250 -21.369 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -16.623 -2.690 -26.210 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -14.151 -1.210 -23.091 1.00 0.00 H new ATOM 0 HH TYR A 60 -13.764 -0.892 -25.181 1.00 0.00 H new ATOM 958 N LYS A 61 -20.617 -4.893 -20.839 1.00 0.00 N ATOM 959 CA LYS A 61 -21.387 -5.607 -19.835 1.00 0.00 C ATOM 960 C LYS A 61 -20.563 -6.783 -19.308 1.00 0.00 C ATOM 961 O LYS A 61 -19.930 -7.500 -20.083 1.00 0.00 O ATOM 962 CB LYS A 61 -22.751 -6.015 -20.396 1.00 0.00 C ATOM 963 CG LYS A 61 -23.779 -4.898 -20.206 1.00 0.00 C ATOM 964 CD LYS A 61 -24.408 -4.963 -18.813 1.00 0.00 C ATOM 965 CE LYS A 61 -25.781 -4.288 -18.799 1.00 0.00 C ATOM 966 NZ LYS A 61 -25.653 -2.861 -18.428 1.00 0.00 N ATOM 0 H LYS A 61 -20.487 -5.398 -21.716 1.00 0.00 H new ATOM 0 HA LYS A 61 -21.598 -4.958 -18.985 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -22.656 -6.250 -21.456 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -23.097 -6.921 -19.898 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -23.299 -3.930 -20.347 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -24.557 -4.982 -20.965 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -24.507 -6.003 -18.503 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -23.752 -4.476 -18.091 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -26.245 -4.374 -19.781 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -26.436 -4.797 -18.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -26.576 -2.501 -18.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -24.960 -2.763 -17.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -25.333 -2.315 -19.253 1.00 0.00 H new ATOM 980 N ILE A 62 -20.596 -6.946 -17.994 1.00 0.00 N ATOM 981 CA ILE A 62 -19.860 -8.023 -17.354 1.00 0.00 C ATOM 982 C ILE A 62 -20.848 -9.038 -16.777 1.00 0.00 C ATOM 983 O ILE A 62 -21.368 -8.849 -15.678 1.00 0.00 O ATOM 984 CB ILE A 62 -18.880 -7.462 -16.320 1.00 0.00 C ATOM 985 CG1 ILE A 62 -17.742 -6.700 -17.001 1.00 0.00 C ATOM 986 CG2 ILE A 62 -18.360 -8.569 -15.401 1.00 0.00 C ATOM 987 CD1 ILE A 62 -17.221 -5.576 -16.103 1.00 0.00 C ATOM 0 H ILE A 62 -21.121 -6.350 -17.354 1.00 0.00 H new ATOM 0 HA ILE A 62 -19.249 -8.553 -18.084 1.00 0.00 H new ATOM 0 HB ILE A 62 -19.415 -6.749 -15.693 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -16.930 -7.387 -17.238 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -18.092 -6.283 -17.945 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -17.666 -8.144 -14.676 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -19.197 -9.029 -14.876 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -17.846 -9.324 -15.996 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -16.413 -5.050 -16.611 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -18.030 -4.878 -15.888 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -16.849 -5.999 -15.170 1.00 0.00 H new ATOM 999 N ARG A 63 -21.078 -10.094 -17.544 1.00 0.00 N ATOM 1000 CA ARG A 63 -21.994 -11.140 -17.123 1.00 0.00 C ATOM 1001 C ARG A 63 -21.230 -12.266 -16.424 1.00 0.00 C ATOM 1002 O ARG A 63 -20.098 -12.575 -16.793 1.00 0.00 O ATOM 1003 CB ARG A 63 -22.759 -11.715 -18.316 1.00 0.00 C ATOM 1004 CG ARG A 63 -23.684 -10.664 -18.934 1.00 0.00 C ATOM 1005 CD ARG A 63 -25.121 -10.839 -18.438 1.00 0.00 C ATOM 1006 NE ARG A 63 -25.940 -9.675 -18.841 1.00 0.00 N ATOM 1007 CZ ARG A 63 -27.240 -9.534 -18.548 1.00 0.00 C ATOM 1008 NH1 ARG A 63 -27.876 -10.482 -17.847 1.00 0.00 N ATOM 1009 NH2 ARG A 63 -27.904 -8.443 -18.955 1.00 0.00 N ATOM 0 H ARG A 63 -20.645 -10.247 -18.455 1.00 0.00 H new ATOM 0 HA ARG A 63 -22.707 -10.696 -16.429 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -22.054 -12.071 -19.067 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -23.345 -12.577 -17.996 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -23.327 -9.666 -18.680 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -23.658 -10.745 -20.021 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -25.547 -11.754 -18.849 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -25.130 -10.942 -17.353 1.00 0.00 H new ATOM 0 HE ARG A 63 -25.487 -8.933 -19.375 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -27.371 -11.312 -17.536 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -28.866 -10.374 -17.624 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -27.420 -7.720 -19.488 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -28.894 -8.335 -18.732 1.00 0.00 H new ATOM 1023 N THR A 64 -21.879 -12.849 -15.427 1.00 0.00 N ATOM 1024 CA THR A 64 -21.275 -13.934 -14.673 1.00 0.00 C ATOM 1025 C THR A 64 -21.749 -15.286 -15.211 1.00 0.00 C ATOM 1026 O THR A 64 -22.748 -15.358 -15.925 1.00 0.00 O ATOM 1027 CB THR A 64 -21.601 -13.721 -13.194 1.00 0.00 C ATOM 1028 OG1 THR A 64 -22.945 -14.177 -13.065 1.00 0.00 O ATOM 1029 CG2 THR A 64 -21.672 -12.240 -12.817 1.00 0.00 C ATOM 0 H THR A 64 -22.818 -12.590 -15.124 1.00 0.00 H new ATOM 0 HA THR A 64 -20.191 -13.937 -14.784 1.00 0.00 H new ATOM 0 HB THR A 64 -20.847 -14.215 -12.582 1.00 0.00 H new ATOM 0 HG1 THR A 64 -23.237 -14.076 -12.135 1.00 0.00 H new ATOM 0 HG21 THR A 64 -21.906 -12.145 -11.757 1.00 0.00 H new ATOM 0 HG22 THR A 64 -20.712 -11.766 -13.020 1.00 0.00 H new ATOM 0 HG23 THR A 64 -22.449 -11.752 -13.405 1.00 0.00 H new ATOM 1037 N LEU A 65 -21.010 -16.323 -14.848 1.00 0.00 N ATOM 1038 CA LEU A 65 -21.342 -17.669 -15.285 1.00 0.00 C ATOM 1039 C LEU A 65 -21.933 -18.451 -14.110 1.00 0.00 C ATOM 1040 O LEU A 65 -21.627 -18.165 -12.953 1.00 0.00 O ATOM 1041 CB LEU A 65 -20.124 -18.341 -15.922 1.00 0.00 C ATOM 1042 CG LEU A 65 -19.560 -17.662 -17.172 1.00 0.00 C ATOM 1043 CD1 LEU A 65 -18.071 -17.970 -17.338 1.00 0.00 C ATOM 1044 CD2 LEU A 65 -20.367 -18.044 -18.414 1.00 0.00 C ATOM 0 H LEU A 65 -20.182 -16.259 -14.256 1.00 0.00 H new ATOM 0 HA LEU A 65 -22.104 -17.640 -16.064 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -19.332 -18.397 -15.175 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -20.392 -19.366 -16.179 1.00 0.00 H new ATOM 0 HG LEU A 65 -19.653 -16.583 -17.047 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -17.695 -17.476 -18.234 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -17.525 -17.607 -16.467 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -17.930 -19.047 -17.432 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -19.946 -17.548 -19.288 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -20.328 -19.124 -18.555 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -21.403 -17.732 -18.285 1.00 0.00 H new ATOM 1056 N ASP A 66 -22.768 -19.423 -14.447 1.00 0.00 N ATOM 1057 CA ASP A 66 -23.403 -20.248 -13.435 1.00 0.00 C ATOM 1058 C ASP A 66 -22.332 -20.823 -12.505 1.00 0.00 C ATOM 1059 O ASP A 66 -22.491 -20.808 -11.286 1.00 0.00 O ATOM 1060 CB ASP A 66 -24.155 -21.419 -14.071 1.00 0.00 C ATOM 1061 CG ASP A 66 -25.510 -21.739 -13.436 1.00 0.00 C ATOM 1062 OD1 ASP A 66 -26.049 -20.835 -12.763 1.00 0.00 O ATOM 1063 OD2 ASP A 66 -25.976 -22.881 -13.639 1.00 0.00 O ATOM 0 H ASP A 66 -23.019 -19.657 -15.407 1.00 0.00 H new ATOM 0 HA ASP A 66 -24.107 -19.624 -12.884 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -24.308 -21.202 -15.128 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -23.526 -22.308 -14.016 1.00 0.00 H new ATOM 1068 N ASN A 67 -21.265 -21.315 -13.117 1.00 0.00 N ATOM 1069 CA ASN A 67 -20.169 -21.894 -12.360 1.00 0.00 C ATOM 1070 C ASN A 67 -18.841 -21.372 -12.914 1.00 0.00 C ATOM 1071 O ASN A 67 -18.015 -22.149 -13.390 1.00 0.00 O ATOM 1072 CB ASN A 67 -20.163 -23.419 -12.477 1.00 0.00 C ATOM 1073 CG ASN A 67 -21.085 -24.053 -11.433 1.00 0.00 C ATOM 1074 OD1 ASN A 67 -20.744 -24.193 -10.270 1.00 0.00 O ATOM 1075 ND2 ASN A 67 -22.268 -24.426 -11.912 1.00 0.00 N ATOM 0 H ASN A 67 -21.136 -21.324 -14.129 1.00 0.00 H new ATOM 0 HA ASN A 67 -20.296 -21.614 -11.314 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -20.484 -23.712 -13.477 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -19.148 -23.793 -12.346 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -22.955 -24.859 -11.294 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -22.489 -24.279 -12.897 1.00 0.00 H new ATOM 1082 N GLY A 68 -18.678 -20.059 -12.833 1.00 0.00 N ATOM 1083 CA GLY A 68 -17.465 -19.425 -13.320 1.00 0.00 C ATOM 1084 C GLY A 68 -17.144 -18.165 -12.513 1.00 0.00 C ATOM 1085 O GLY A 68 -16.914 -18.237 -11.307 1.00 0.00 O ATOM 0 H GLY A 68 -19.366 -19.418 -12.438 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -16.632 -20.125 -13.254 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -17.582 -19.167 -14.373 1.00 0.00 H new ATOM 1089 N GLY A 69 -17.138 -17.039 -13.212 1.00 0.00 N ATOM 1090 CA GLY A 69 -16.848 -15.765 -12.576 1.00 0.00 C ATOM 1091 C GLY A 69 -17.495 -14.610 -13.344 1.00 0.00 C ATOM 1092 O GLY A 69 -18.687 -14.349 -13.192 1.00 0.00 O ATOM 0 H GLY A 69 -17.329 -16.983 -14.212 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -17.215 -15.775 -11.550 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -15.769 -15.616 -12.528 1.00 0.00 H new ATOM 1096 N PHE A 70 -16.679 -13.949 -14.152 1.00 0.00 N ATOM 1097 CA PHE A 70 -17.156 -12.828 -14.944 1.00 0.00 C ATOM 1098 C PHE A 70 -16.493 -12.808 -16.322 1.00 0.00 C ATOM 1099 O PHE A 70 -15.273 -12.927 -16.430 1.00 0.00 O ATOM 1100 CB PHE A 70 -16.774 -11.553 -14.189 1.00 0.00 C ATOM 1101 CG PHE A 70 -17.161 -11.566 -12.709 1.00 0.00 C ATOM 1102 CD1 PHE A 70 -16.541 -12.421 -11.852 1.00 0.00 C ATOM 1103 CD2 PHE A 70 -18.125 -10.723 -12.250 1.00 0.00 C ATOM 1104 CE1 PHE A 70 -16.900 -12.433 -10.478 1.00 0.00 C ATOM 1105 CE2 PHE A 70 -18.484 -10.736 -10.877 1.00 0.00 C ATOM 1106 CZ PHE A 70 -17.864 -11.590 -10.019 1.00 0.00 C ATOM 0 H PHE A 70 -15.691 -14.168 -14.275 1.00 0.00 H new ATOM 0 HA PHE A 70 -18.233 -12.908 -15.090 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -15.697 -11.403 -14.271 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -17.252 -10.700 -14.671 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -15.776 -13.091 -12.216 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -18.617 -10.044 -12.930 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -16.408 -13.112 -9.797 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -19.250 -10.067 -10.513 1.00 0.00 H new ATOM 0 HZ PHE A 70 -18.137 -11.599 -8.974 1.00 0.00 H new ATOM 1116 N TYR A 71 -17.325 -12.658 -17.342 1.00 0.00 N ATOM 1117 CA TYR A 71 -16.835 -12.622 -18.709 1.00 0.00 C ATOM 1118 C TYR A 71 -17.511 -11.503 -19.505 1.00 0.00 C ATOM 1119 O TYR A 71 -18.680 -11.193 -19.276 1.00 0.00 O ATOM 1120 CB TYR A 71 -17.210 -13.970 -19.328 1.00 0.00 C ATOM 1121 CG TYR A 71 -18.711 -14.151 -19.562 1.00 0.00 C ATOM 1122 CD1 TYR A 71 -19.537 -14.488 -18.509 1.00 0.00 C ATOM 1123 CD2 TYR A 71 -19.238 -13.978 -20.826 1.00 0.00 C ATOM 1124 CE1 TYR A 71 -20.950 -14.659 -18.730 1.00 0.00 C ATOM 1125 CE2 TYR A 71 -20.651 -14.149 -21.046 1.00 0.00 C ATOM 1126 CZ TYR A 71 -21.437 -14.481 -19.987 1.00 0.00 C ATOM 1127 OH TYR A 71 -22.771 -14.642 -20.195 1.00 0.00 O ATOM 0 H TYR A 71 -18.336 -12.560 -17.249 1.00 0.00 H new ATOM 0 HA TYR A 71 -15.761 -12.439 -18.726 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -16.689 -14.079 -20.279 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -16.855 -14.769 -18.677 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -19.124 -14.623 -17.520 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -18.591 -13.715 -21.650 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -21.608 -14.923 -17.915 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -21.077 -14.017 -22.030 1.00 0.00 H new ATOM 0 HH TYR A 71 -22.976 -14.483 -21.140 1.00 0.00 H new ATOM 1137 N ILE A 72 -16.748 -10.928 -20.423 1.00 0.00 N ATOM 1138 CA ILE A 72 -17.259 -9.851 -21.253 1.00 0.00 C ATOM 1139 C ILE A 72 -17.431 -10.356 -22.687 1.00 0.00 C ATOM 1140 O ILE A 72 -18.479 -10.154 -23.299 1.00 0.00 O ATOM 1141 CB ILE A 72 -16.364 -8.616 -21.139 1.00 0.00 C ATOM 1142 CG1 ILE A 72 -16.227 -8.170 -19.682 1.00 0.00 C ATOM 1143 CG2 ILE A 72 -16.870 -7.487 -22.040 1.00 0.00 C ATOM 1144 CD1 ILE A 72 -15.174 -7.069 -19.542 1.00 0.00 C ATOM 0 H ILE A 72 -15.780 -11.188 -20.610 1.00 0.00 H new ATOM 0 HA ILE A 72 -18.243 -9.536 -20.905 1.00 0.00 H new ATOM 0 HB ILE A 72 -15.367 -8.884 -21.488 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -17.188 -7.807 -19.317 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -15.951 -9.023 -19.061 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -16.216 -6.621 -21.940 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -16.872 -7.822 -23.077 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -17.883 -7.213 -21.745 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -15.097 -6.770 -18.497 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -14.209 -7.443 -19.885 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -15.465 -6.209 -20.145 1.00 0.00 H new ATOM 1156 N SER A 73 -16.386 -11.004 -23.182 1.00 0.00 N ATOM 1157 CA SER A 73 -16.408 -11.539 -24.532 1.00 0.00 C ATOM 1158 C SER A 73 -16.612 -13.055 -24.491 1.00 0.00 C ATOM 1159 O SER A 73 -16.026 -13.741 -23.655 1.00 0.00 O ATOM 1160 CB SER A 73 -15.118 -11.197 -25.281 1.00 0.00 C ATOM 1161 OG SER A 73 -15.320 -11.135 -26.691 1.00 0.00 O ATOM 0 H SER A 73 -15.519 -11.170 -22.672 1.00 0.00 H new ATOM 0 HA SER A 73 -17.240 -11.081 -25.068 1.00 0.00 H new ATOM 0 HB2 SER A 73 -14.736 -10.239 -24.927 1.00 0.00 H new ATOM 0 HB3 SER A 73 -14.359 -11.946 -25.056 1.00 0.00 H new ATOM 0 HG SER A 73 -14.474 -10.913 -27.133 1.00 0.00 H new ATOM 1167 N PRO A 74 -17.466 -13.546 -25.428 1.00 0.00 N ATOM 1168 CA PRO A 74 -17.755 -14.968 -25.507 1.00 0.00 C ATOM 1169 C PRO A 74 -16.582 -15.732 -26.125 1.00 0.00 C ATOM 1170 O PRO A 74 -16.747 -16.420 -27.131 1.00 0.00 O ATOM 1171 CB PRO A 74 -19.028 -15.066 -26.330 1.00 0.00 C ATOM 1172 CG PRO A 74 -19.149 -13.744 -27.071 1.00 0.00 C ATOM 1173 CD PRO A 74 -18.178 -12.763 -26.434 1.00 0.00 C ATOM 0 HA PRO A 74 -17.895 -15.424 -24.527 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -18.978 -15.902 -27.028 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -19.894 -15.236 -25.691 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -18.919 -13.876 -28.128 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -20.169 -13.365 -27.011 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -17.491 -12.349 -27.173 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -18.704 -11.922 -25.982 1.00 0.00 H new ATOM 1181 N ARG A 75 -15.424 -15.584 -25.498 1.00 0.00 N ATOM 1182 CA ARG A 75 -14.225 -16.251 -25.975 1.00 0.00 C ATOM 1183 C ARG A 75 -13.437 -16.831 -24.798 1.00 0.00 C ATOM 1184 O ARG A 75 -13.278 -18.046 -24.691 1.00 0.00 O ATOM 1185 CB ARG A 75 -13.329 -15.285 -26.753 1.00 0.00 C ATOM 1186 CG ARG A 75 -14.114 -14.585 -27.864 1.00 0.00 C ATOM 1187 CD ARG A 75 -14.176 -15.453 -29.122 1.00 0.00 C ATOM 1188 NE ARG A 75 -14.214 -14.595 -30.328 1.00 0.00 N ATOM 1189 CZ ARG A 75 -13.968 -15.033 -31.570 1.00 0.00 C ATOM 1190 NH1 ARG A 75 -13.664 -16.321 -31.778 1.00 0.00 N ATOM 1191 NH2 ARG A 75 -14.025 -14.183 -32.604 1.00 0.00 N ATOM 0 H ARG A 75 -15.291 -15.012 -24.664 1.00 0.00 H new ATOM 0 HA ARG A 75 -14.536 -17.056 -26.641 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -12.912 -14.542 -26.073 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -12.489 -15.829 -27.184 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -15.124 -14.367 -27.518 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -13.645 -13.630 -28.100 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -13.309 -16.112 -29.162 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -15.060 -16.090 -29.091 1.00 0.00 H new ATOM 0 HE ARG A 75 -14.442 -13.608 -30.206 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -13.620 -16.968 -30.991 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -13.477 -16.655 -32.724 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -14.256 -13.202 -32.446 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -13.838 -14.517 -33.549 1.00 0.00 H new ATOM 1205 N SER A 76 -12.965 -15.934 -23.944 1.00 0.00 N ATOM 1206 CA SER A 76 -12.198 -16.341 -22.780 1.00 0.00 C ATOM 1207 C SER A 76 -12.725 -15.631 -21.531 1.00 0.00 C ATOM 1208 O SER A 76 -12.536 -14.426 -21.372 1.00 0.00 O ATOM 1209 CB SER A 76 -10.709 -16.045 -22.970 1.00 0.00 C ATOM 1210 OG SER A 76 -10.125 -16.868 -23.976 1.00 0.00 O ATOM 0 H SER A 76 -13.099 -14.927 -24.036 1.00 0.00 H new ATOM 0 HA SER A 76 -12.314 -17.418 -22.654 1.00 0.00 H new ATOM 0 HB2 SER A 76 -10.579 -14.997 -23.239 1.00 0.00 H new ATOM 0 HB3 SER A 76 -10.185 -16.199 -22.026 1.00 0.00 H new ATOM 0 HG SER A 76 -9.175 -16.647 -24.068 1.00 0.00 H new ATOM 1216 N THR A 77 -13.375 -16.408 -20.677 1.00 0.00 N ATOM 1217 CA THR A 77 -13.931 -15.868 -19.448 1.00 0.00 C ATOM 1218 C THR A 77 -12.866 -15.836 -18.350 1.00 0.00 C ATOM 1219 O THR A 77 -11.811 -16.454 -18.486 1.00 0.00 O ATOM 1220 CB THR A 77 -15.160 -16.701 -19.079 1.00 0.00 C ATOM 1221 OG1 THR A 77 -14.646 -18.019 -18.904 1.00 0.00 O ATOM 1222 CG2 THR A 77 -16.146 -16.836 -20.241 1.00 0.00 C ATOM 0 H THR A 77 -13.529 -17.407 -20.812 1.00 0.00 H new ATOM 0 HA THR A 77 -14.249 -14.834 -19.579 1.00 0.00 H new ATOM 0 HB THR A 77 -15.664 -16.246 -18.226 1.00 0.00 H new ATOM 0 HG1 THR A 77 -15.376 -18.625 -18.661 1.00 0.00 H new ATOM 0 HG21 THR A 77 -17.000 -17.436 -19.926 1.00 0.00 H new ATOM 0 HG22 THR A 77 -16.490 -15.847 -20.543 1.00 0.00 H new ATOM 0 HG23 THR A 77 -15.652 -17.321 -21.083 1.00 0.00 H new ATOM 1230 N PHE A 78 -13.179 -15.111 -17.287 1.00 0.00 N ATOM 1231 CA PHE A 78 -12.262 -14.991 -16.166 1.00 0.00 C ATOM 1232 C PHE A 78 -12.966 -15.308 -14.845 1.00 0.00 C ATOM 1233 O PHE A 78 -14.111 -14.910 -14.637 1.00 0.00 O ATOM 1234 CB PHE A 78 -11.779 -13.539 -16.137 1.00 0.00 C ATOM 1235 CG PHE A 78 -11.248 -13.033 -17.479 1.00 0.00 C ATOM 1236 CD1 PHE A 78 -12.115 -12.607 -18.437 1.00 0.00 C ATOM 1237 CD2 PHE A 78 -9.909 -13.009 -17.715 1.00 0.00 C ATOM 1238 CE1 PHE A 78 -11.621 -12.137 -19.683 1.00 0.00 C ATOM 1239 CE2 PHE A 78 -9.415 -12.540 -18.961 1.00 0.00 C ATOM 1240 CZ PHE A 78 -10.282 -12.113 -19.919 1.00 0.00 C ATOM 0 H PHE A 78 -14.055 -14.600 -17.178 1.00 0.00 H new ATOM 0 HA PHE A 78 -11.436 -15.693 -16.284 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -12.602 -12.899 -15.819 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -10.993 -13.443 -15.388 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -13.179 -12.626 -18.250 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -9.221 -13.347 -16.954 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -12.309 -11.799 -20.443 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -8.352 -12.522 -19.148 1.00 0.00 H new ATOM 0 HZ PHE A 78 -9.907 -11.755 -20.866 1.00 0.00 H new ATOM 1250 N SER A 79 -12.252 -16.022 -13.988 1.00 0.00 N ATOM 1251 CA SER A 79 -12.794 -16.398 -12.693 1.00 0.00 C ATOM 1252 C SER A 79 -12.840 -15.178 -11.771 1.00 0.00 C ATOM 1253 O SER A 79 -13.714 -15.077 -10.911 1.00 0.00 O ATOM 1254 CB SER A 79 -11.969 -17.516 -12.054 1.00 0.00 C ATOM 1255 OG SER A 79 -11.711 -18.579 -12.967 1.00 0.00 O ATOM 0 H SER A 79 -11.303 -16.350 -14.165 1.00 0.00 H new ATOM 0 HA SER A 79 -13.807 -16.771 -12.842 1.00 0.00 H new ATOM 0 HB2 SER A 79 -11.024 -17.109 -11.695 1.00 0.00 H new ATOM 0 HB3 SER A 79 -12.499 -17.906 -11.185 1.00 0.00 H new ATOM 0 HG SER A 79 -11.180 -19.272 -12.521 1.00 0.00 H new ATOM 1261 N THR A 80 -11.888 -14.281 -11.982 1.00 0.00 N ATOM 1262 CA THR A 80 -11.808 -13.072 -11.180 1.00 0.00 C ATOM 1263 C THR A 80 -11.715 -11.839 -12.082 1.00 0.00 C ATOM 1264 O THR A 80 -11.180 -11.913 -13.187 1.00 0.00 O ATOM 1265 CB THR A 80 -10.623 -13.216 -10.223 1.00 0.00 C ATOM 1266 OG1 THR A 80 -9.499 -13.374 -11.084 1.00 0.00 O ATOM 1267 CG2 THR A 80 -10.669 -14.521 -9.427 1.00 0.00 C ATOM 0 H THR A 80 -11.165 -14.367 -12.697 1.00 0.00 H new ATOM 0 HA THR A 80 -12.710 -12.933 -10.584 1.00 0.00 H new ATOM 0 HB THR A 80 -10.608 -12.371 -9.534 1.00 0.00 H new ATOM 0 HG1 THR A 80 -8.860 -12.648 -10.925 1.00 0.00 H new ATOM 0 HG21 THR A 80 -9.806 -14.573 -8.763 1.00 0.00 H new ATOM 0 HG22 THR A 80 -11.584 -14.554 -8.835 1.00 0.00 H new ATOM 0 HG23 THR A 80 -10.650 -15.367 -10.114 1.00 0.00 H new ATOM 1275 N LEU A 81 -12.243 -10.734 -11.576 1.00 0.00 N ATOM 1276 CA LEU A 81 -12.226 -9.488 -12.322 1.00 0.00 C ATOM 1277 C LEU A 81 -10.795 -8.949 -12.375 1.00 0.00 C ATOM 1278 O LEU A 81 -10.460 -8.149 -13.247 1.00 0.00 O ATOM 1279 CB LEU A 81 -13.235 -8.498 -11.735 1.00 0.00 C ATOM 1280 CG LEU A 81 -14.699 -8.727 -12.116 1.00 0.00 C ATOM 1281 CD1 LEU A 81 -15.637 -8.003 -11.148 1.00 0.00 C ATOM 1282 CD2 LEU A 81 -14.956 -8.328 -13.570 1.00 0.00 C ATOM 0 H LEU A 81 -12.685 -10.676 -10.659 1.00 0.00 H new ATOM 0 HA LEU A 81 -12.542 -9.657 -13.352 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -13.154 -8.529 -10.648 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -12.952 -7.493 -12.048 1.00 0.00 H new ATOM 0 HG LEU A 81 -14.911 -9.793 -12.033 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -16.671 -8.182 -11.441 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -15.476 -8.378 -10.137 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -15.432 -6.933 -11.175 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -16.004 -8.501 -13.815 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -14.721 -7.272 -13.704 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -14.326 -8.926 -14.228 1.00 0.00 H new ATOM 1294 N GLN A 82 -9.989 -9.409 -11.429 1.00 0.00 N ATOM 1295 CA GLN A 82 -8.602 -8.983 -11.356 1.00 0.00 C ATOM 1296 C GLN A 82 -7.790 -9.624 -12.483 1.00 0.00 C ATOM 1297 O GLN A 82 -6.808 -9.049 -12.951 1.00 0.00 O ATOM 1298 CB GLN A 82 -7.998 -9.313 -9.989 1.00 0.00 C ATOM 1299 CG GLN A 82 -6.691 -8.549 -9.768 1.00 0.00 C ATOM 1300 CD GLN A 82 -6.963 -7.077 -9.450 1.00 0.00 C ATOM 1301 OE1 GLN A 82 -7.572 -6.734 -8.450 1.00 0.00 O ATOM 1302 NE2 GLN A 82 -6.480 -6.230 -10.354 1.00 0.00 N ATOM 0 H GLN A 82 -10.270 -10.072 -10.707 1.00 0.00 H new ATOM 0 HA GLN A 82 -8.568 -7.901 -11.480 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -8.709 -9.060 -9.203 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -7.813 -10.385 -9.918 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -6.133 -9.004 -8.950 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -6.067 -8.623 -10.659 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -5.979 -6.585 -11.169 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -6.610 -5.226 -10.233 1.00 0.00 H new ATOM 1311 N GLU A 83 -8.229 -10.808 -12.887 1.00 0.00 N ATOM 1312 CA GLU A 83 -7.555 -11.533 -13.950 1.00 0.00 C ATOM 1313 C GLU A 83 -8.008 -11.014 -15.316 1.00 0.00 C ATOM 1314 O GLU A 83 -7.299 -11.169 -16.309 1.00 0.00 O ATOM 1315 CB GLU A 83 -7.800 -13.038 -13.827 1.00 0.00 C ATOM 1316 CG GLU A 83 -7.032 -13.623 -12.639 1.00 0.00 C ATOM 1317 CD GLU A 83 -5.705 -14.235 -13.092 1.00 0.00 C ATOM 1318 OE1 GLU A 83 -5.753 -15.365 -13.623 1.00 0.00 O ATOM 1319 OE2 GLU A 83 -4.672 -13.558 -12.897 1.00 0.00 O ATOM 0 H GLU A 83 -9.043 -11.283 -12.497 1.00 0.00 H new ATOM 0 HA GLU A 83 -6.482 -11.363 -13.856 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -8.866 -13.228 -13.704 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -7.491 -13.537 -14.746 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -6.844 -12.842 -11.903 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -7.639 -14.384 -12.148 1.00 0.00 H new ATOM 1326 N LEU A 84 -9.187 -10.409 -15.323 1.00 0.00 N ATOM 1327 CA LEU A 84 -9.743 -9.866 -16.551 1.00 0.00 C ATOM 1328 C LEU A 84 -9.150 -8.479 -16.804 1.00 0.00 C ATOM 1329 O LEU A 84 -8.985 -8.071 -17.953 1.00 0.00 O ATOM 1330 CB LEU A 84 -11.272 -9.881 -16.499 1.00 0.00 C ATOM 1331 CG LEU A 84 -11.989 -9.252 -17.695 1.00 0.00 C ATOM 1332 CD1 LEU A 84 -13.370 -9.879 -17.897 1.00 0.00 C ATOM 1333 CD2 LEU A 84 -12.065 -7.731 -17.551 1.00 0.00 C ATOM 0 H LEU A 84 -9.773 -10.283 -14.498 1.00 0.00 H new ATOM 0 HA LEU A 84 -9.470 -10.490 -17.402 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -11.603 -10.915 -16.405 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -11.590 -9.361 -15.595 1.00 0.00 H new ATOM 0 HG LEU A 84 -11.406 -9.461 -18.592 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -13.859 -9.414 -18.753 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -13.261 -10.948 -18.078 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -13.975 -9.722 -17.004 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -12.579 -7.309 -18.414 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -12.613 -7.478 -16.643 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -11.057 -7.320 -17.493 1.00 0.00 H new ATOM 1345 N VAL A 85 -8.846 -7.791 -15.713 1.00 0.00 N ATOM 1346 CA VAL A 85 -8.275 -6.458 -15.802 1.00 0.00 C ATOM 1347 C VAL A 85 -6.792 -6.567 -16.161 1.00 0.00 C ATOM 1348 O VAL A 85 -6.230 -5.661 -16.775 1.00 0.00 O ATOM 1349 CB VAL A 85 -8.521 -5.695 -14.499 1.00 0.00 C ATOM 1350 CG1 VAL A 85 -7.657 -4.434 -14.431 1.00 0.00 C ATOM 1351 CG2 VAL A 85 -10.003 -5.354 -14.335 1.00 0.00 C ATOM 0 H VAL A 85 -8.985 -8.132 -14.762 1.00 0.00 H new ATOM 0 HA VAL A 85 -8.760 -5.886 -16.593 1.00 0.00 H new ATOM 0 HB VAL A 85 -8.233 -6.343 -13.671 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -7.851 -3.910 -13.495 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -6.604 -4.711 -14.480 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -7.900 -3.781 -15.269 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -10.150 -4.812 -13.401 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -10.328 -4.733 -15.170 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -10.588 -6.273 -14.317 1.00 0.00 H new ATOM 1361 N ASP A 86 -6.199 -7.683 -15.762 1.00 0.00 N ATOM 1362 CA ASP A 86 -4.792 -7.921 -16.034 1.00 0.00 C ATOM 1363 C ASP A 86 -4.612 -8.253 -17.516 1.00 0.00 C ATOM 1364 O ASP A 86 -3.855 -7.585 -18.219 1.00 0.00 O ATOM 1365 CB ASP A 86 -4.266 -9.103 -15.217 1.00 0.00 C ATOM 1366 CG ASP A 86 -4.225 -8.877 -13.705 1.00 0.00 C ATOM 1367 OD1 ASP A 86 -4.164 -7.693 -13.309 1.00 0.00 O ATOM 1368 OD2 ASP A 86 -4.256 -9.893 -12.978 1.00 0.00 O ATOM 0 H ASP A 86 -6.668 -8.432 -15.252 1.00 0.00 H new ATOM 0 HA ASP A 86 -4.239 -7.021 -15.764 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -4.890 -9.973 -15.422 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -3.260 -9.344 -15.561 1.00 0.00 H new ATOM 1373 N HIS A 87 -5.321 -9.286 -17.949 1.00 0.00 N ATOM 1374 CA HIS A 87 -5.249 -9.715 -19.335 1.00 0.00 C ATOM 1375 C HIS A 87 -5.600 -8.543 -20.254 1.00 0.00 C ATOM 1376 O HIS A 87 -5.084 -8.445 -21.366 1.00 0.00 O ATOM 1377 CB HIS A 87 -6.135 -10.940 -19.571 1.00 0.00 C ATOM 1378 CG HIS A 87 -5.670 -11.825 -20.702 1.00 0.00 C ATOM 1379 ND1 HIS A 87 -6.350 -11.927 -21.903 1.00 0.00 N ATOM 1380 CD2 HIS A 87 -4.586 -12.647 -20.803 1.00 0.00 C ATOM 1381 CE1 HIS A 87 -5.697 -12.775 -22.684 1.00 0.00 C ATOM 1382 NE2 HIS A 87 -4.604 -13.221 -22.000 1.00 0.00 N ATOM 0 H HIS A 87 -5.948 -9.838 -17.364 1.00 0.00 H new ATOM 0 HA HIS A 87 -4.231 -10.024 -19.571 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -6.174 -11.529 -18.655 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -7.151 -10.606 -19.779 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -3.839 -12.804 -20.039 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -5.980 -13.063 -23.686 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -3.914 -13.886 -22.350 1.00 0.00 H new ATOM 1390 N TYR A 88 -6.477 -7.684 -19.755 1.00 0.00 N ATOM 1391 CA TYR A 88 -6.903 -6.523 -20.517 1.00 0.00 C ATOM 1392 C TYR A 88 -5.807 -5.456 -20.551 1.00 0.00 C ATOM 1393 O TYR A 88 -5.753 -4.645 -21.474 1.00 0.00 O ATOM 1394 CB TYR A 88 -8.122 -5.961 -19.783 1.00 0.00 C ATOM 1395 CG TYR A 88 -9.454 -6.557 -20.241 1.00 0.00 C ATOM 1396 CD1 TYR A 88 -9.562 -7.915 -20.465 1.00 0.00 C ATOM 1397 CD2 TYR A 88 -10.548 -5.738 -20.430 1.00 0.00 C ATOM 1398 CE1 TYR A 88 -10.815 -8.477 -20.896 1.00 0.00 C ATOM 1399 CE2 TYR A 88 -11.802 -6.300 -20.862 1.00 0.00 C ATOM 1400 CZ TYR A 88 -11.874 -7.641 -21.073 1.00 0.00 C ATOM 1401 OH TYR A 88 -13.058 -8.172 -21.480 1.00 0.00 O ATOM 0 H TYR A 88 -6.904 -7.769 -18.833 1.00 0.00 H new ATOM 0 HA TYR A 88 -7.126 -6.801 -21.547 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -8.004 -6.140 -18.714 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -8.152 -4.881 -19.924 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -8.706 -8.556 -20.317 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -10.464 -4.676 -20.254 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -10.912 -9.538 -21.075 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -12.666 -5.670 -21.015 1.00 0.00 H new ATOM 0 HH TYR A 88 -13.135 -9.091 -21.150 1.00 0.00 H new ATOM 1411 N LYS A 89 -4.959 -5.491 -19.533 1.00 0.00 N ATOM 1412 CA LYS A 89 -3.867 -4.538 -19.434 1.00 0.00 C ATOM 1413 C LYS A 89 -2.735 -4.967 -20.370 1.00 0.00 C ATOM 1414 O LYS A 89 -2.007 -4.127 -20.895 1.00 0.00 O ATOM 1415 CB LYS A 89 -3.431 -4.371 -17.977 1.00 0.00 C ATOM 1416 CG LYS A 89 -4.214 -3.247 -17.296 1.00 0.00 C ATOM 1417 CD LYS A 89 -4.354 -3.507 -15.795 1.00 0.00 C ATOM 1418 CE LYS A 89 -4.092 -2.233 -14.990 1.00 0.00 C ATOM 1419 NZ LYS A 89 -3.313 -2.541 -13.770 1.00 0.00 N ATOM 0 H LYS A 89 -5.007 -6.165 -18.769 1.00 0.00 H new ATOM 0 HA LYS A 89 -4.193 -3.550 -19.759 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -3.586 -5.306 -17.438 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -2.364 -4.153 -17.936 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -3.707 -2.296 -17.458 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -5.202 -3.162 -17.748 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -5.356 -3.878 -15.579 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -3.653 -4.284 -15.490 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -3.549 -1.514 -15.603 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -5.039 -1.768 -14.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -3.144 -1.665 -13.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -3.845 -3.211 -13.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -2.402 -2.964 -14.038 1.00 0.00 H new ATOM 1433 N LYS A 90 -2.623 -6.275 -20.549 1.00 0.00 N ATOM 1434 CA LYS A 90 -1.592 -6.827 -21.412 1.00 0.00 C ATOM 1435 C LYS A 90 -1.966 -6.572 -22.874 1.00 0.00 C ATOM 1436 O LYS A 90 -1.092 -6.448 -23.730 1.00 0.00 O ATOM 1437 CB LYS A 90 -1.354 -8.302 -21.087 1.00 0.00 C ATOM 1438 CG LYS A 90 -0.393 -8.455 -19.906 1.00 0.00 C ATOM 1439 CD LYS A 90 -0.921 -9.479 -18.899 1.00 0.00 C ATOM 1440 CE LYS A 90 0.199 -9.973 -17.981 1.00 0.00 C ATOM 1441 NZ LYS A 90 -0.262 -11.124 -17.173 1.00 0.00 N ATOM 0 H LYS A 90 -3.229 -6.969 -20.111 1.00 0.00 H new ATOM 0 HA LYS A 90 -0.639 -6.328 -21.234 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -2.303 -8.784 -20.853 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -0.946 -8.809 -21.961 1.00 0.00 H new ATOM 0 HG2 LYS A 90 0.587 -8.767 -20.268 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -0.259 -7.492 -19.414 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -1.715 -9.031 -18.301 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -1.360 -10.324 -19.430 1.00 0.00 H new ATOM 0 HE2 LYS A 90 1.064 -10.263 -18.577 1.00 0.00 H new ATOM 0 HE3 LYS A 90 0.521 -9.165 -17.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 0.510 -11.446 -16.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -1.074 -10.836 -16.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -0.547 -11.899 -17.805 1.00 0.00 H new ATOM 1455 N GLY A 91 -3.267 -6.501 -23.114 1.00 0.00 N ATOM 1456 CA GLY A 91 -3.768 -6.263 -24.458 1.00 0.00 C ATOM 1457 C GLY A 91 -5.298 -6.250 -24.478 1.00 0.00 C ATOM 1458 O GLY A 91 -5.939 -6.719 -23.539 1.00 0.00 O ATOM 0 H GLY A 91 -3.989 -6.604 -22.401 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -3.388 -5.311 -24.829 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -3.398 -7.037 -25.130 1.00 0.00 H new ATOM 1462 N ASN A 92 -5.839 -5.709 -25.560 1.00 0.00 N ATOM 1463 CA ASN A 92 -7.281 -5.629 -25.715 1.00 0.00 C ATOM 1464 C ASN A 92 -7.845 -7.036 -25.926 1.00 0.00 C ATOM 1465 O ASN A 92 -8.830 -7.414 -25.293 1.00 0.00 O ATOM 1466 CB ASN A 92 -7.658 -4.782 -26.932 1.00 0.00 C ATOM 1467 CG ASN A 92 -6.810 -5.161 -28.148 1.00 0.00 C ATOM 1468 OD1 ASN A 92 -5.594 -5.239 -28.089 1.00 0.00 O ATOM 1469 ND2 ASN A 92 -7.518 -5.391 -29.251 1.00 0.00 N ATOM 0 H ASN A 92 -5.304 -5.322 -26.338 1.00 0.00 H new ATOM 0 HA ASN A 92 -7.692 -5.171 -24.815 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -8.714 -4.921 -27.163 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -7.518 -3.726 -26.702 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -7.044 -5.650 -30.116 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -8.534 -5.308 -29.231 1.00 0.00 H new ATOM 1476 N ASP A 93 -7.197 -7.772 -26.816 1.00 0.00 N ATOM 1477 CA ASP A 93 -7.622 -9.128 -27.118 1.00 0.00 C ATOM 1478 C ASP A 93 -9.150 -9.178 -27.179 1.00 0.00 C ATOM 1479 O ASP A 93 -9.776 -9.990 -26.500 1.00 0.00 O ATOM 1480 CB ASP A 93 -7.161 -10.104 -26.033 1.00 0.00 C ATOM 1481 CG ASP A 93 -7.438 -11.579 -26.330 1.00 0.00 C ATOM 1482 OD1 ASP A 93 -7.863 -11.858 -27.471 1.00 0.00 O ATOM 1483 OD2 ASP A 93 -7.219 -12.394 -25.408 1.00 0.00 O ATOM 0 H ASP A 93 -6.380 -7.455 -27.338 1.00 0.00 H new ATOM 0 HA ASP A 93 -7.181 -9.414 -28.073 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -6.089 -9.975 -25.881 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -7.651 -9.839 -25.096 1.00 0.00 H new ATOM 1488 N GLY A 94 -9.706 -8.299 -27.999 1.00 0.00 N ATOM 1489 CA GLY A 94 -11.149 -8.232 -28.158 1.00 0.00 C ATOM 1490 C GLY A 94 -11.634 -6.781 -28.156 1.00 0.00 C ATOM 1491 O GLY A 94 -12.376 -6.369 -29.047 1.00 0.00 O ATOM 0 H GLY A 94 -9.183 -7.627 -28.561 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -11.438 -8.715 -29.092 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -11.633 -8.782 -27.351 1.00 0.00 H new ATOM 1495 N LEU A 95 -11.196 -6.045 -27.145 1.00 0.00 N ATOM 1496 CA LEU A 95 -11.576 -4.649 -27.015 1.00 0.00 C ATOM 1497 C LEU A 95 -11.011 -3.859 -28.197 1.00 0.00 C ATOM 1498 O LEU A 95 -10.268 -4.402 -29.014 1.00 0.00 O ATOM 1499 CB LEU A 95 -11.151 -4.102 -25.651 1.00 0.00 C ATOM 1500 CG LEU A 95 -11.733 -4.818 -24.430 1.00 0.00 C ATOM 1501 CD1 LEU A 95 -10.907 -4.525 -23.177 1.00 0.00 C ATOM 1502 CD2 LEU A 95 -13.209 -4.464 -24.240 1.00 0.00 C ATOM 0 H LEU A 95 -10.581 -6.390 -26.408 1.00 0.00 H new ATOM 0 HA LEU A 95 -12.660 -4.545 -27.050 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -10.064 -4.144 -25.588 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -11.433 -3.050 -25.599 1.00 0.00 H new ATOM 0 HG LEU A 95 -11.679 -5.892 -24.606 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -11.342 -5.046 -22.324 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -9.883 -4.868 -23.328 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -10.906 -3.452 -22.985 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -13.599 -4.986 -23.366 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -13.309 -3.388 -24.095 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -13.772 -4.765 -25.123 1.00 0.00 H new ATOM 1514 N CYS A 96 -11.384 -2.589 -28.252 1.00 0.00 N ATOM 1515 CA CYS A 96 -10.924 -1.719 -29.320 1.00 0.00 C ATOM 1516 C CYS A 96 -9.562 -1.147 -28.922 1.00 0.00 C ATOM 1517 O CYS A 96 -8.720 -0.883 -29.779 1.00 0.00 O ATOM 1518 CB CYS A 96 -11.938 -0.615 -29.628 1.00 0.00 C ATOM 1519 SG CYS A 96 -11.961 0.610 -28.268 1.00 0.00 S ATOM 0 H CYS A 96 -12.000 -2.142 -27.573 1.00 0.00 H new ATOM 0 HA CYS A 96 -10.821 -2.294 -30.240 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -11.680 -0.124 -30.566 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -12.931 -1.047 -29.757 1.00 0.00 H new ATOM 0 HG CYS A 96 -11.754 1.799 -28.751 1.00 0.00 H new ATOM 1525 N GLN A 97 -9.387 -0.973 -27.620 1.00 0.00 N ATOM 1526 CA GLN A 97 -8.142 -0.438 -27.097 1.00 0.00 C ATOM 1527 C GLN A 97 -7.800 -1.099 -25.760 1.00 0.00 C ATOM 1528 O GLN A 97 -8.616 -1.105 -24.840 1.00 0.00 O ATOM 1529 CB GLN A 97 -8.216 1.084 -26.953 1.00 0.00 C ATOM 1530 CG GLN A 97 -7.984 1.773 -28.299 1.00 0.00 C ATOM 1531 CD GLN A 97 -9.206 2.597 -28.711 1.00 0.00 C ATOM 1532 OE1 GLN A 97 -9.863 2.328 -29.703 1.00 0.00 O ATOM 1533 NE2 GLN A 97 -9.473 3.614 -27.895 1.00 0.00 N ATOM 0 H GLN A 97 -10.087 -1.193 -26.912 1.00 0.00 H new ATOM 0 HA GLN A 97 -7.346 -0.665 -27.806 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -9.191 1.369 -26.558 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -7.470 1.422 -26.234 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -7.109 2.420 -28.234 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -7.771 1.025 -29.063 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -8.882 3.784 -27.081 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -10.269 4.224 -28.084 1.00 0.00 H new ATOM 1542 N LYS A 98 -6.591 -1.638 -25.695 1.00 0.00 N ATOM 1543 CA LYS A 98 -6.131 -2.300 -24.486 1.00 0.00 C ATOM 1544 C LYS A 98 -6.254 -1.336 -23.304 1.00 0.00 C ATOM 1545 O LYS A 98 -6.441 -0.136 -23.494 1.00 0.00 O ATOM 1546 CB LYS A 98 -4.719 -2.855 -24.683 1.00 0.00 C ATOM 1547 CG LYS A 98 -3.703 -1.723 -24.847 1.00 0.00 C ATOM 1548 CD LYS A 98 -2.582 -2.127 -25.806 1.00 0.00 C ATOM 1549 CE LYS A 98 -2.328 -1.032 -26.845 1.00 0.00 C ATOM 1550 NZ LYS A 98 -1.330 -0.062 -26.342 1.00 0.00 N ATOM 0 H LYS A 98 -5.916 -1.630 -26.460 1.00 0.00 H new ATOM 0 HA LYS A 98 -6.759 -3.162 -24.261 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -4.445 -3.473 -23.828 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -4.697 -3.499 -25.562 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -4.204 -0.831 -25.223 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -3.280 -1.465 -23.876 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -1.668 -2.318 -25.243 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -2.847 -3.057 -26.310 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -1.973 -1.479 -27.774 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -3.261 -0.517 -27.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -1.169 0.674 -27.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -1.683 0.377 -25.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -0.436 -0.555 -26.145 1.00 0.00 H new ATOM 1564 N LEU A 99 -6.144 -1.899 -22.109 1.00 0.00 N ATOM 1565 CA LEU A 99 -6.240 -1.104 -20.897 1.00 0.00 C ATOM 1566 C LEU A 99 -4.860 -0.544 -20.548 1.00 0.00 C ATOM 1567 O LEU A 99 -3.881 -1.287 -20.489 1.00 0.00 O ATOM 1568 CB LEU A 99 -6.875 -1.922 -19.770 1.00 0.00 C ATOM 1569 CG LEU A 99 -8.373 -2.202 -19.906 1.00 0.00 C ATOM 1570 CD1 LEU A 99 -8.973 -2.635 -18.567 1.00 0.00 C ATOM 1571 CD2 LEU A 99 -9.104 -0.996 -20.499 1.00 0.00 C ATOM 0 H LEU A 99 -5.989 -2.895 -21.955 1.00 0.00 H new ATOM 0 HA LEU A 99 -6.900 -0.251 -21.052 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -6.352 -2.876 -19.701 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -6.708 -1.398 -18.829 1.00 0.00 H new ATOM 0 HG LEU A 99 -8.504 -3.031 -20.601 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -10.039 -2.828 -18.691 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -8.478 -3.543 -18.223 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -8.831 -1.843 -17.832 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -10.167 -1.221 -20.585 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -8.968 -0.132 -19.849 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -8.699 -0.774 -21.486 1.00 0.00 H new ATOM 1583 N SER A 100 -4.825 0.761 -20.326 1.00 0.00 N ATOM 1584 CA SER A 100 -3.580 1.430 -19.984 1.00 0.00 C ATOM 1585 C SER A 100 -3.439 1.528 -18.464 1.00 0.00 C ATOM 1586 O SER A 100 -2.673 0.779 -17.859 1.00 0.00 O ATOM 1587 CB SER A 100 -3.512 2.822 -20.615 1.00 0.00 C ATOM 1588 OG SER A 100 -4.581 3.658 -20.179 1.00 0.00 O ATOM 0 H SER A 100 -5.639 1.374 -20.376 1.00 0.00 H new ATOM 0 HA SER A 100 -2.754 0.840 -20.381 1.00 0.00 H new ATOM 0 HB2 SER A 100 -2.560 3.289 -20.362 1.00 0.00 H new ATOM 0 HB3 SER A 100 -3.543 2.730 -21.701 1.00 0.00 H new ATOM 0 HG SER A 100 -5.402 3.128 -20.107 1.00 0.00 H new ATOM 1594 N VAL A 101 -4.189 2.457 -17.891 1.00 0.00 N ATOM 1595 CA VAL A 101 -4.157 2.662 -16.453 1.00 0.00 C ATOM 1596 C VAL A 101 -5.589 2.699 -15.915 1.00 0.00 C ATOM 1597 O VAL A 101 -6.517 3.067 -16.634 1.00 0.00 O ATOM 1598 CB VAL A 101 -3.362 3.927 -16.122 1.00 0.00 C ATOM 1599 CG1 VAL A 101 -1.919 3.812 -16.617 1.00 0.00 C ATOM 1600 CG2 VAL A 101 -4.042 5.169 -16.700 1.00 0.00 C ATOM 0 H VAL A 101 -4.823 3.076 -18.396 1.00 0.00 H new ATOM 0 HA VAL A 101 -3.646 1.834 -15.961 1.00 0.00 H new ATOM 0 HB VAL A 101 -3.337 4.033 -15.037 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -1.376 4.724 -16.369 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -1.437 2.960 -16.137 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -1.915 3.670 -17.698 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -3.457 6.054 -16.450 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -4.112 5.074 -17.784 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -5.043 5.265 -16.279 1.00 0.00 H new ATOM 1610 N PRO A 102 -5.728 2.303 -14.621 1.00 0.00 N ATOM 1611 CA PRO A 102 -7.031 2.288 -13.979 1.00 0.00 C ATOM 1612 C PRO A 102 -7.487 3.706 -13.630 1.00 0.00 C ATOM 1613 O PRO A 102 -6.664 4.610 -13.490 1.00 0.00 O ATOM 1614 CB PRO A 102 -6.856 1.403 -12.756 1.00 0.00 C ATOM 1615 CG PRO A 102 -5.359 1.333 -12.502 1.00 0.00 C ATOM 1616 CD PRO A 102 -4.651 1.862 -13.739 1.00 0.00 C ATOM 0 HA PRO A 102 -7.815 1.898 -14.628 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -7.379 1.819 -11.895 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -7.269 0.410 -12.931 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -5.092 1.925 -11.627 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -5.054 0.307 -12.297 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -3.981 2.685 -13.490 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -4.045 1.088 -14.210 1.00 0.00 H new ATOM 1624 N CYS A 103 -8.797 3.857 -13.499 1.00 0.00 N ATOM 1625 CA CYS A 103 -9.372 5.150 -13.169 1.00 0.00 C ATOM 1626 C CYS A 103 -8.508 5.798 -12.086 1.00 0.00 C ATOM 1627 O CYS A 103 -7.795 5.107 -11.360 1.00 0.00 O ATOM 1628 CB CYS A 103 -10.834 5.024 -12.734 1.00 0.00 C ATOM 1629 SG CYS A 103 -11.752 6.544 -13.178 1.00 0.00 S ATOM 0 H CYS A 103 -9.476 3.105 -13.615 1.00 0.00 H new ATOM 0 HA CYS A 103 -9.378 5.785 -14.055 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -11.292 4.159 -13.214 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -10.889 4.857 -11.658 1.00 0.00 H new ATOM 0 HG CYS A 103 -12.412 6.970 -12.143 1.00 0.00 H new ATOM 1635 N MET A 104 -8.600 7.117 -12.011 1.00 0.00 N ATOM 1636 CA MET A 104 -7.836 7.866 -11.029 1.00 0.00 C ATOM 1637 C MET A 104 -8.721 8.299 -9.858 1.00 0.00 C ATOM 1638 O MET A 104 -9.945 8.330 -9.979 1.00 0.00 O ATOM 1639 CB MET A 104 -7.226 9.103 -11.691 1.00 0.00 C ATOM 1640 CG MET A 104 -8.317 10.060 -12.176 1.00 0.00 C ATOM 1641 SD MET A 104 -8.092 11.668 -11.435 1.00 0.00 S ATOM 1642 CE MET A 104 -6.629 12.208 -12.302 1.00 0.00 C ATOM 0 H MET A 104 -9.193 7.687 -12.615 1.00 0.00 H new ATOM 0 HA MET A 104 -7.046 7.221 -10.644 1.00 0.00 H new ATOM 0 HB2 MET A 104 -6.576 9.616 -10.982 1.00 0.00 H new ATOM 0 HB3 MET A 104 -6.603 8.800 -12.532 1.00 0.00 H new ATOM 0 HG2 MET A 104 -8.283 10.143 -13.262 1.00 0.00 H new ATOM 0 HG3 MET A 104 -9.300 9.666 -11.917 1.00 0.00 H new ATOM 0 HE1 MET A 104 -6.737 13.256 -12.580 1.00 0.00 H new ATOM 0 HE2 MET A 104 -5.759 12.092 -11.655 1.00 0.00 H new ATOM 0 HE3 MET A 104 -6.496 11.606 -13.201 1.00 0.00 H new