USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 806 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 57 HIS : no HE2:sc= 0.404 K(o=0.8,f=-6.5!) USER MOD Set 1.2: A 119 HIS : no HE2:sc= 0.392 K(o=0.8,f=-3.6!) USER MOD Set 2.1: A 113 SER OG : rot 180:sc= 0.172 USER MOD Set 2.2: A 115 SER OG : rot 98:sc= 1.14 USER MOD Set 3.1: A 70 GLN : amide:sc= -0.158 K(o=0.43,f=-5.3!) USER MOD Set 3.2: A 91 SER OG : rot -61:sc= 0.584 USER MOD Set 4.1: A 68 SER OG : rot -56:sc= 1.03 USER MOD Set 4.2: A 126 HIS : no HE2:sc= 1.13 K(o=2.2,f=-8.6!) USER MOD Set 5.1: A 47 GLN : amide:sc= -0.382 K(o=0.91,f=-4.5!) USER MOD Set 5.2: A 58 MET CE :methyl 164:sc= -0.231 (180deg=-1.03) USER MOD Set 5.3: A 98 THR OG1 : rot 160:sc= 0.0356 USER MOD Set 5.4: A 100 THR OG1 : rot 59:sc= 0.0482 USER MOD Set 5.5: A 127 SER OG : rot 93:sc= 1.44 USER MOD Set 6.1: A 38 THR OG1 : rot 79:sc= 1.8 USER MOD Set 6.2: A 40 SER OG : rot -157:sc= 0.693 USER MOD Set 7.1: A 29 TYR OH : rot 180:sc= 1.02 USER MOD Set 7.2: A 79 LYS NZ :NH3+ 172:sc= 1.31 (180deg=0.136) USER MOD Single : A 27 SER OG : rot 3:sc= 1.25 USER MOD Single : A 34 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0.352 USER MOD Single : A 43 LYS NZ :NH3+ 170:sc= 1.13 (180deg=1) USER MOD Single : A 45 GLN :FLIP amide:sc= -0.267 F(o=-0.85,f=-0.27) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 130:sc= -0.47 USER MOD Single : A 62 GLN : amide:sc= -0.074 X(o=-0.074,f=-0.1) USER MOD Single : A 63 SER OG : rot 82:sc= 1.84 USER MOD Single : A 67 SER OG : rot 180:sc= 0.00911 USER MOD Single : A 69 LYS NZ :NH3+ -168:sc= -0.0206 (180deg=-0.223) USER MOD Single : A 75 SER OG : rot 124:sc= 1.27 USER MOD Single : A 76 GLN :FLIP amide:sc= -0.867 F(o=-5.1!,f=-0.87) USER MOD Single : A 78 SER OG : rot -86:sc= 1.17 USER MOD Single : A 82 GLN : amide:sc= -0.117 X(o=-0.12,f=-0.014) USER MOD Single : A 85 ASN : amide:sc= -0.0694 K(o=-0.069,f=-1.1) USER MOD Single : A 97 LYS NZ :NH3+ -164:sc= -0.0239 (180deg=-0.242) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= -0.352 K(o=-0.35,f=-0.89) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot -94:sc= -0.141 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= 0.483 K(o=0.48,f=-5.4!) USER MOD Single : A 116 ASN : amide:sc= -0.0357 K(o=-0.036,f=-1.9!) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 170:sc= 0 USER MOD Single : A 122 ASN : amide:sc= -2.11! C(o=-2.1!,f=-6.4!) USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 131 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 25 -9.522 -3.952 14.134 1.00 0.00 N ATOM 2 CA ARG A 25 -9.540 -3.249 12.835 1.00 0.00 C ATOM 3 C ARG A 25 -8.287 -2.398 12.687 1.00 0.00 C ATOM 4 O ARG A 25 -7.756 -1.885 13.670 1.00 0.00 O ATOM 5 CB ARG A 25 -10.799 -2.384 12.704 1.00 0.00 C ATOM 6 CG ARG A 25 -10.895 -1.255 13.714 1.00 0.00 C ATOM 7 CD ARG A 25 -12.189 -0.478 13.546 1.00 0.00 C ATOM 8 NE ARG A 25 -12.287 0.638 14.484 1.00 0.00 N ATOM 9 CZ ARG A 25 -12.958 0.582 15.632 1.00 0.00 C ATOM 10 NH1 ARG A 25 -13.513 -0.555 16.023 1.00 0.00 N ATOM 11 NH2 ARG A 25 -13.070 1.655 16.395 1.00 0.00 N ATOM 0 HA ARG A 25 -9.556 -3.991 12.037 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -10.830 -1.960 11.700 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -11.676 -3.023 12.808 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -10.840 -1.661 14.724 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -10.046 -0.583 13.594 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -12.254 -0.100 12.526 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -13.036 -1.149 13.692 1.00 0.00 H new ATOM 0 HE ARG A 25 -11.814 1.510 14.245 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -13.427 -1.390 15.444 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -14.027 -0.596 16.903 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -12.641 2.534 16.105 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -13.586 1.605 17.274 1.00 0.00 H new ATOM 23 N LEU A 26 -7.819 -2.259 11.457 1.00 0.00 N ATOM 24 CA LEU A 26 -6.607 -1.504 11.175 1.00 0.00 C ATOM 25 C LEU A 26 -6.847 -0.542 10.022 1.00 0.00 C ATOM 26 O LEU A 26 -7.211 -0.960 8.927 1.00 0.00 O ATOM 27 CB LEU A 26 -5.456 -2.455 10.820 1.00 0.00 C ATOM 28 CG LEU A 26 -4.997 -3.393 11.936 1.00 0.00 C ATOM 29 CD1 LEU A 26 -3.928 -4.340 11.422 1.00 0.00 C ATOM 30 CD2 LEU A 26 -4.474 -2.603 13.125 1.00 0.00 C ATOM 0 H LEU A 26 -8.263 -2.662 10.632 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.338 -0.937 12.066 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.760 -3.060 9.966 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.602 -1.858 10.500 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.856 -3.978 12.265 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.611 -5.002 12.228 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.332 -4.934 10.602 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.073 -3.765 11.067 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.153 -3.292 13.907 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.629 -1.991 12.811 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.265 -1.960 13.511 1.00 0.00 H new ATOM 42 N SER A 27 -6.666 0.741 10.270 1.00 0.00 N ATOM 43 CA SER A 27 -6.804 1.734 9.219 1.00 0.00 C ATOM 44 C SER A 27 -5.630 2.701 9.259 1.00 0.00 C ATOM 45 O SER A 27 -5.014 2.889 10.308 1.00 0.00 O ATOM 46 CB SER A 27 -8.130 2.487 9.370 1.00 0.00 C ATOM 47 OG SER A 27 -8.284 3.032 10.675 1.00 0.00 O ATOM 0 H SER A 27 -6.424 1.120 11.185 1.00 0.00 H new ATOM 0 HA SER A 27 -6.805 1.229 8.253 1.00 0.00 H new ATOM 0 HB2 SER A 27 -8.178 3.289 8.633 1.00 0.00 H new ATOM 0 HB3 SER A 27 -8.958 1.810 9.159 1.00 0.00 H new ATOM 0 HG SER A 27 -7.477 2.852 11.202 1.00 0.00 H new ATOM 53 N TRP A 28 -5.319 3.322 8.124 1.00 0.00 N ATOM 54 CA TRP A 28 -4.195 4.258 8.051 1.00 0.00 C ATOM 55 C TRP A 28 -4.526 5.603 8.706 1.00 0.00 C ATOM 56 O TRP A 28 -3.940 6.633 8.375 1.00 0.00 O ATOM 57 CB TRP A 28 -3.727 4.456 6.597 1.00 0.00 C ATOM 58 CG TRP A 28 -4.796 4.891 5.627 1.00 0.00 C ATOM 59 CD1 TRP A 28 -5.959 5.550 5.909 1.00 0.00 C ATOM 60 CD2 TRP A 28 -4.775 4.711 4.203 1.00 0.00 C ATOM 61 NE1 TRP A 28 -6.666 5.776 4.755 1.00 0.00 N ATOM 62 CE2 TRP A 28 -5.959 5.274 3.694 1.00 0.00 C ATOM 63 CE3 TRP A 28 -3.873 4.124 3.309 1.00 0.00 C ATOM 64 CZ2 TRP A 28 -6.263 5.268 2.335 1.00 0.00 C ATOM 65 CZ3 TRP A 28 -4.177 4.119 1.960 1.00 0.00 C ATOM 66 CH2 TRP A 28 -5.363 4.690 1.486 1.00 0.00 C ATOM 0 H TRP A 28 -5.824 3.197 7.247 1.00 0.00 H new ATOM 0 HA TRP A 28 -3.374 3.814 8.615 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -2.929 5.198 6.588 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -3.296 3.520 6.241 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -6.276 5.850 6.897 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -7.571 6.242 4.696 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -2.955 3.682 3.666 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -7.179 5.705 1.965 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -3.488 3.667 1.261 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -5.571 4.673 0.426 1.00 0.00 H new ATOM 77 N TYR A 29 -5.474 5.580 9.631 1.00 0.00 N ATOM 78 CA TYR A 29 -5.812 6.751 10.419 1.00 0.00 C ATOM 79 C TYR A 29 -5.685 6.452 11.905 1.00 0.00 C ATOM 80 O TYR A 29 -6.075 7.258 12.749 1.00 0.00 O ATOM 81 CB TYR A 29 -7.216 7.248 10.087 1.00 0.00 C ATOM 82 CG TYR A 29 -7.210 8.382 9.088 1.00 0.00 C ATOM 83 CD1 TYR A 29 -7.055 9.692 9.515 1.00 0.00 C ATOM 84 CD2 TYR A 29 -7.333 8.147 7.723 1.00 0.00 C ATOM 85 CE1 TYR A 29 -7.027 10.737 8.617 1.00 0.00 C ATOM 86 CE2 TYR A 29 -7.301 9.190 6.815 1.00 0.00 C ATOM 87 CZ TYR A 29 -7.148 10.482 7.268 1.00 0.00 C ATOM 88 OH TYR A 29 -7.103 11.529 6.373 1.00 0.00 O ATOM 0 H TYR A 29 -6.027 4.752 9.854 1.00 0.00 H new ATOM 0 HA TYR A 29 -5.107 7.543 10.166 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -7.805 6.422 9.690 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -7.707 7.578 11.003 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -6.954 9.897 10.571 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -7.455 7.135 7.366 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -6.911 11.751 8.969 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -7.395 8.993 5.757 1.00 0.00 H new ATOM 0 HH TYR A 29 -7.201 11.184 5.461 1.00 0.00 H new ATOM 98 N ASP A 30 -5.144 5.282 12.216 1.00 0.00 N ATOM 99 CA ASP A 30 -4.840 4.927 13.591 1.00 0.00 C ATOM 100 C ASP A 30 -3.396 5.299 13.888 1.00 0.00 C ATOM 101 O ASP A 30 -2.489 4.931 13.144 1.00 0.00 O ATOM 102 CB ASP A 30 -5.059 3.430 13.842 1.00 0.00 C ATOM 103 CG ASP A 30 -6.501 2.996 13.662 1.00 0.00 C ATOM 104 OD1 ASP A 30 -7.343 3.351 14.520 1.00 0.00 O ATOM 105 OD2 ASP A 30 -6.802 2.295 12.673 1.00 0.00 O ATOM 0 H ASP A 30 -4.907 4.563 11.532 1.00 0.00 H new ATOM 0 HA ASP A 30 -5.512 5.475 14.252 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.427 2.858 13.162 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -4.738 3.188 14.855 1.00 0.00 H new ATOM 110 N PRO A 31 -3.162 6.040 14.977 1.00 0.00 N ATOM 111 CA PRO A 31 -1.828 6.542 15.319 1.00 0.00 C ATOM 112 C PRO A 31 -0.846 5.423 15.655 1.00 0.00 C ATOM 113 O PRO A 31 0.363 5.644 15.719 1.00 0.00 O ATOM 114 CB PRO A 31 -2.073 7.427 16.544 1.00 0.00 C ATOM 115 CG PRO A 31 -3.359 6.944 17.118 1.00 0.00 C ATOM 116 CD PRO A 31 -4.176 6.449 15.959 1.00 0.00 C ATOM 0 HA PRO A 31 -1.374 7.072 14.481 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -1.260 7.337 17.265 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -2.136 8.479 16.265 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -3.187 6.147 17.842 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -3.876 7.746 17.644 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -4.817 5.615 16.246 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -4.826 7.229 15.564 1.00 0.00 H new ATOM 124 N ASP A 32 -1.370 4.223 15.872 1.00 0.00 N ATOM 125 CA ASP A 32 -0.537 3.065 16.175 1.00 0.00 C ATOM 126 C ASP A 32 -0.290 2.229 14.922 1.00 0.00 C ATOM 127 O ASP A 32 0.344 1.173 14.983 1.00 0.00 O ATOM 128 CB ASP A 32 -1.194 2.201 17.254 1.00 0.00 C ATOM 129 CG ASP A 32 -2.489 1.566 16.787 1.00 0.00 C ATOM 130 OD1 ASP A 32 -3.481 2.301 16.592 1.00 0.00 O ATOM 131 OD2 ASP A 32 -2.528 0.330 16.627 1.00 0.00 O ATOM 0 H ASP A 32 -2.370 4.026 15.844 1.00 0.00 H new ATOM 0 HA ASP A 32 0.422 3.429 16.545 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -0.500 1.418 17.559 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -1.391 2.813 18.134 1.00 0.00 H new ATOM 136 N PHE A 33 -0.785 2.708 13.787 1.00 0.00 N ATOM 137 CA PHE A 33 -0.606 2.017 12.518 1.00 0.00 C ATOM 138 C PHE A 33 0.818 2.221 12.002 1.00 0.00 C ATOM 139 O PHE A 33 1.317 3.349 11.947 1.00 0.00 O ATOM 140 CB PHE A 33 -1.630 2.527 11.492 1.00 0.00 C ATOM 141 CG PHE A 33 -1.584 1.824 10.163 1.00 0.00 C ATOM 142 CD1 PHE A 33 -2.059 0.528 10.033 1.00 0.00 C ATOM 143 CD2 PHE A 33 -1.085 2.468 9.043 1.00 0.00 C ATOM 144 CE1 PHE A 33 -2.031 -0.114 8.810 1.00 0.00 C ATOM 145 CE2 PHE A 33 -1.053 1.831 7.818 1.00 0.00 C ATOM 146 CZ PHE A 33 -1.529 0.539 7.701 1.00 0.00 C ATOM 0 H PHE A 33 -1.316 3.576 13.721 1.00 0.00 H new ATOM 0 HA PHE A 33 -0.768 0.950 12.670 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.630 2.419 11.911 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.465 3.592 11.331 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.455 0.015 10.897 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -0.717 3.480 9.129 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.401 -1.125 8.721 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.657 2.342 6.953 1.00 0.00 H new ATOM 0 HZ PHE A 33 -1.509 0.040 6.743 1.00 0.00 H new ATOM 156 N GLN A 34 1.474 1.126 11.647 1.00 0.00 N ATOM 157 CA GLN A 34 2.841 1.181 11.147 1.00 0.00 C ATOM 158 C GLN A 34 2.883 0.791 9.677 1.00 0.00 C ATOM 159 O GLN A 34 2.238 -0.176 9.264 1.00 0.00 O ATOM 160 CB GLN A 34 3.754 0.266 11.970 1.00 0.00 C ATOM 161 CG GLN A 34 3.986 0.752 13.392 1.00 0.00 C ATOM 162 CD GLN A 34 4.885 -0.177 14.190 1.00 0.00 C ATOM 163 OE1 GLN A 34 4.825 -1.466 13.891 1.00 0.00 O flip ATOM 164 NE2 GLN A 34 5.626 0.262 15.070 1.00 0.00 N flip ATOM 0 H GLN A 34 1.081 0.186 11.696 1.00 0.00 H new ATOM 0 HA GLN A 34 3.203 2.204 11.246 1.00 0.00 H new ATOM 0 HB2 GLN A 34 3.318 -0.732 12.003 1.00 0.00 H new ATOM 0 HB3 GLN A 34 4.716 0.177 11.464 1.00 0.00 H new ATOM 0 HG2 GLN A 34 4.432 1.746 13.364 1.00 0.00 H new ATOM 0 HG3 GLN A 34 3.026 0.847 13.900 1.00 0.00 H new ATOM 0 HE21 GLN A 34 5.643 1.262 15.270 1.00 0.00 H new ATOM 0 HE22 GLN A 34 6.223 -0.374 15.599 1.00 0.00 H new ATOM 173 N ALA A 35 3.637 1.549 8.894 1.00 0.00 N ATOM 174 CA ALA A 35 3.749 1.303 7.465 1.00 0.00 C ATOM 175 C ALA A 35 5.094 1.792 6.943 1.00 0.00 C ATOM 176 O ALA A 35 5.763 2.601 7.591 1.00 0.00 O ATOM 177 CB ALA A 35 2.612 1.987 6.717 1.00 0.00 C ATOM 0 H ALA A 35 4.183 2.344 9.227 1.00 0.00 H new ATOM 0 HA ALA A 35 3.681 0.229 7.295 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.711 1.793 5.649 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.657 1.597 7.070 1.00 0.00 H new ATOM 0 HB3 ALA A 35 2.653 3.061 6.896 1.00 0.00 H new ATOM 183 N ARG A 36 5.489 1.290 5.782 1.00 0.00 N ATOM 184 CA ARG A 36 6.736 1.693 5.153 1.00 0.00 C ATOM 185 C ARG A 36 6.650 1.479 3.646 1.00 0.00 C ATOM 186 O ARG A 36 5.775 0.760 3.161 1.00 0.00 O ATOM 187 CB ARG A 36 7.911 0.884 5.721 1.00 0.00 C ATOM 188 CG ARG A 36 7.944 -0.558 5.232 1.00 0.00 C ATOM 189 CD ARG A 36 9.141 -1.328 5.768 1.00 0.00 C ATOM 190 NE ARG A 36 9.321 -2.586 5.052 1.00 0.00 N ATOM 191 CZ ARG A 36 10.108 -3.578 5.452 1.00 0.00 C ATOM 192 NH1 ARG A 36 10.786 -3.483 6.587 1.00 0.00 N ATOM 193 NH2 ARG A 36 10.218 -4.665 4.708 1.00 0.00 N ATOM 0 H ARG A 36 4.958 0.597 5.254 1.00 0.00 H new ATOM 0 HA ARG A 36 6.903 2.750 5.361 1.00 0.00 H new ATOM 0 HB2 ARG A 36 8.846 1.374 5.448 1.00 0.00 H new ATOM 0 HB3 ARG A 36 7.854 0.890 6.809 1.00 0.00 H new ATOM 0 HG2 ARG A 36 7.026 -1.062 5.535 1.00 0.00 H new ATOM 0 HG3 ARG A 36 7.968 -0.568 4.142 1.00 0.00 H new ATOM 0 HD2 ARG A 36 10.041 -0.720 5.672 1.00 0.00 H new ATOM 0 HD3 ARG A 36 9.003 -1.528 6.831 1.00 0.00 H new ATOM 0 HE ARG A 36 8.805 -2.713 4.181 1.00 0.00 H new ATOM 0 HH11 ARG A 36 10.705 -2.643 7.160 1.00 0.00 H new ATOM 0 HH12 ARG A 36 11.388 -4.250 6.887 1.00 0.00 H new ATOM 0 HH21 ARG A 36 9.700 -4.738 3.832 1.00 0.00 H new ATOM 0 HH22 ARG A 36 10.821 -5.431 5.010 1.00 0.00 H new ATOM 206 N LEU A 37 7.544 2.117 2.912 1.00 0.00 N ATOM 207 CA LEU A 37 7.671 1.876 1.486 1.00 0.00 C ATOM 208 C LEU A 37 8.986 1.163 1.219 1.00 0.00 C ATOM 209 O LEU A 37 9.971 1.386 1.926 1.00 0.00 O ATOM 210 CB LEU A 37 7.598 3.190 0.710 1.00 0.00 C ATOM 211 CG LEU A 37 6.256 3.923 0.813 1.00 0.00 C ATOM 212 CD1 LEU A 37 6.300 5.234 0.059 1.00 0.00 C ATOM 213 CD2 LEU A 37 5.133 3.055 0.275 1.00 0.00 C ATOM 0 H LEU A 37 8.196 2.809 3.282 1.00 0.00 H new ATOM 0 HA LEU A 37 6.847 1.247 1.149 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.386 3.852 1.069 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.806 2.987 -0.341 1.00 0.00 H new ATOM 0 HG LEU A 37 6.067 4.133 1.866 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.337 5.736 0.146 1.00 0.00 H new ATOM 0 HD12 LEU A 37 7.080 5.869 0.479 1.00 0.00 H new ATOM 0 HD13 LEU A 37 6.515 5.042 -0.992 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.188 3.592 0.356 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.326 2.817 -0.771 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.077 2.133 0.853 1.00 0.00 H new ATOM 225 N THR A 38 8.991 0.292 0.221 1.00 0.00 N ATOM 226 CA THR A 38 10.169 -0.508 -0.092 1.00 0.00 C ATOM 227 C THR A 38 11.336 0.372 -0.521 1.00 0.00 C ATOM 228 O THR A 38 11.145 1.506 -0.969 1.00 0.00 O ATOM 229 CB THR A 38 9.876 -1.541 -1.199 1.00 0.00 C ATOM 230 OG1 THR A 38 9.383 -0.887 -2.376 1.00 0.00 O ATOM 231 CG2 THR A 38 8.867 -2.576 -0.722 1.00 0.00 C ATOM 0 H THR A 38 8.191 0.120 -0.388 1.00 0.00 H new ATOM 0 HA THR A 38 10.439 -1.039 0.821 1.00 0.00 H new ATOM 0 HB THR A 38 10.809 -2.051 -1.439 1.00 0.00 H new ATOM 0 HG1 THR A 38 10.131 -0.486 -2.865 1.00 0.00 H new ATOM 0 HG21 THR A 38 8.677 -3.293 -1.520 1.00 0.00 H new ATOM 0 HG22 THR A 38 9.265 -3.098 0.148 1.00 0.00 H new ATOM 0 HG23 THR A 38 7.936 -2.078 -0.452 1.00 0.00 H new ATOM 239 N ARG A 39 12.541 -0.172 -0.398 1.00 0.00 N ATOM 240 CA ARG A 39 13.773 0.565 -0.671 1.00 0.00 C ATOM 241 C ARG A 39 13.985 0.730 -2.173 1.00 0.00 C ATOM 242 O ARG A 39 15.025 0.353 -2.708 1.00 0.00 O ATOM 243 CB ARG A 39 14.958 -0.190 -0.072 1.00 0.00 C ATOM 244 CG ARG A 39 14.737 -0.634 1.362 1.00 0.00 C ATOM 245 CD ARG A 39 15.633 -1.808 1.709 1.00 0.00 C ATOM 246 NE ARG A 39 15.380 -2.951 0.829 1.00 0.00 N ATOM 247 CZ ARG A 39 16.335 -3.625 0.199 1.00 0.00 C ATOM 248 NH1 ARG A 39 17.604 -3.279 0.354 1.00 0.00 N ATOM 249 NH2 ARG A 39 16.030 -4.649 -0.581 1.00 0.00 N ATOM 0 H ARG A 39 12.694 -1.137 -0.106 1.00 0.00 H new ATOM 0 HA ARG A 39 13.693 1.554 -0.221 1.00 0.00 H new ATOM 0 HB2 ARG A 39 15.167 -1.066 -0.686 1.00 0.00 H new ATOM 0 HB3 ARG A 39 15.842 0.447 -0.114 1.00 0.00 H new ATOM 0 HG2 ARG A 39 14.939 0.196 2.039 1.00 0.00 H new ATOM 0 HG3 ARG A 39 13.693 -0.914 1.504 1.00 0.00 H new ATOM 0 HD2 ARG A 39 16.677 -1.507 1.627 1.00 0.00 H new ATOM 0 HD3 ARG A 39 15.466 -2.101 2.746 1.00 0.00 H new ATOM 0 HE ARG A 39 14.413 -3.247 0.692 1.00 0.00 H new ATOM 0 HH11 ARG A 39 17.849 -2.494 0.958 1.00 0.00 H new ATOM 0 HH12 ARG A 39 18.337 -3.797 -0.130 1.00 0.00 H new ATOM 0 HH21 ARG A 39 15.056 -4.926 -0.702 1.00 0.00 H new ATOM 0 HH22 ARG A 39 16.769 -5.162 -1.062 1.00 0.00 H new ATOM 262 N SER A 40 12.992 1.291 -2.843 1.00 0.00 N ATOM 263 CA SER A 40 13.035 1.451 -4.285 1.00 0.00 C ATOM 264 C SER A 40 13.872 2.669 -4.669 1.00 0.00 C ATOM 265 O SER A 40 15.025 2.534 -5.082 1.00 0.00 O ATOM 266 CB SER A 40 11.610 1.584 -4.831 1.00 0.00 C ATOM 267 OG SER A 40 10.780 0.543 -4.337 1.00 0.00 O ATOM 0 H SER A 40 12.141 1.645 -2.406 1.00 0.00 H new ATOM 0 HA SER A 40 13.504 0.570 -4.724 1.00 0.00 H new ATOM 0 HB2 SER A 40 11.196 2.551 -4.546 1.00 0.00 H new ATOM 0 HB3 SER A 40 11.629 1.554 -5.920 1.00 0.00 H new ATOM 0 HG SER A 40 10.022 0.413 -4.944 1.00 0.00 H new ATOM 273 N ASN A 41 13.300 3.855 -4.516 1.00 0.00 N ATOM 274 CA ASN A 41 13.994 5.084 -4.882 1.00 0.00 C ATOM 275 C ASN A 41 13.939 6.105 -3.756 1.00 0.00 C ATOM 276 O ASN A 41 14.712 7.061 -3.736 1.00 0.00 O ATOM 277 CB ASN A 41 13.384 5.685 -6.153 1.00 0.00 C ATOM 278 CG ASN A 41 13.655 4.846 -7.388 1.00 0.00 C ATOM 279 OD1 ASN A 41 12.900 3.931 -7.715 1.00 0.00 O ATOM 280 ND2 ASN A 41 14.731 5.164 -8.090 1.00 0.00 N ATOM 0 H ASN A 41 12.361 3.993 -4.143 1.00 0.00 H new ATOM 0 HA ASN A 41 15.038 4.831 -5.068 1.00 0.00 H new ATOM 0 HB2 ASN A 41 12.307 5.790 -6.019 1.00 0.00 H new ATOM 0 HB3 ASN A 41 13.785 6.687 -6.305 1.00 0.00 H new ATOM 0 HD21 ASN A 41 14.960 4.643 -8.937 1.00 0.00 H new ATOM 0 HD22 ASN A 41 15.331 5.930 -7.784 1.00 0.00 H new ATOM 287 N SER A 42 13.025 5.895 -2.820 1.00 0.00 N ATOM 288 CA SER A 42 12.809 6.827 -1.727 1.00 0.00 C ATOM 289 C SER A 42 11.969 6.164 -0.645 1.00 0.00 C ATOM 290 O SER A 42 11.263 5.191 -0.913 1.00 0.00 O ATOM 291 CB SER A 42 12.093 8.082 -2.249 1.00 0.00 C ATOM 292 OG SER A 42 11.747 8.967 -1.197 1.00 0.00 O ATOM 0 H SER A 42 12.416 5.077 -2.798 1.00 0.00 H new ATOM 0 HA SER A 42 13.772 7.115 -1.305 1.00 0.00 H new ATOM 0 HB2 SER A 42 12.737 8.598 -2.961 1.00 0.00 H new ATOM 0 HB3 SER A 42 11.192 7.789 -2.788 1.00 0.00 H new ATOM 0 HG SER A 42 11.295 9.754 -1.567 1.00 0.00 H new ATOM 298 N LYS A 43 12.044 6.699 0.571 1.00 0.00 N ATOM 299 CA LYS A 43 11.199 6.232 1.664 1.00 0.00 C ATOM 300 C LYS A 43 9.749 6.600 1.371 1.00 0.00 C ATOM 301 O LYS A 43 8.823 6.069 1.976 1.00 0.00 O ATOM 302 CB LYS A 43 11.631 6.833 3.014 1.00 0.00 C ATOM 303 CG LYS A 43 11.242 8.294 3.210 1.00 0.00 C ATOM 304 CD LYS A 43 12.152 9.245 2.445 1.00 0.00 C ATOM 305 CE LYS A 43 11.604 10.664 2.442 1.00 0.00 C ATOM 306 NZ LYS A 43 11.295 11.159 3.813 1.00 0.00 N ATOM 0 H LYS A 43 12.681 7.455 0.823 1.00 0.00 H new ATOM 0 HA LYS A 43 11.303 5.149 1.738 1.00 0.00 H new ATOM 0 HB2 LYS A 43 11.191 6.242 3.818 1.00 0.00 H new ATOM 0 HB3 LYS A 43 12.713 6.743 3.108 1.00 0.00 H new ATOM 0 HG2 LYS A 43 10.212 8.440 2.884 1.00 0.00 H new ATOM 0 HG3 LYS A 43 11.277 8.537 4.272 1.00 0.00 H new ATOM 0 HD2 LYS A 43 13.145 9.239 2.894 1.00 0.00 H new ATOM 0 HD3 LYS A 43 12.264 8.895 1.419 1.00 0.00 H new ATOM 0 HE2 LYS A 43 12.330 11.329 1.974 1.00 0.00 H new ATOM 0 HE3 LYS A 43 10.700 10.700 1.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 11.088 12.177 3.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 10.468 10.651 4.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 12.113 10.995 4.434 1.00 0.00 H new ATOM 319 N CYS A 44 9.576 7.528 0.436 1.00 0.00 N ATOM 320 CA CYS A 44 8.259 7.949 0.001 1.00 0.00 C ATOM 321 C CYS A 44 8.065 7.643 -1.478 1.00 0.00 C ATOM 322 O CYS A 44 7.376 8.372 -2.189 1.00 0.00 O ATOM 323 CB CYS A 44 8.065 9.442 0.259 1.00 0.00 C ATOM 324 SG CYS A 44 8.173 9.914 2.011 1.00 0.00 S ATOM 0 H CYS A 44 10.344 8.005 -0.037 1.00 0.00 H new ATOM 0 HA CYS A 44 7.514 7.396 0.573 1.00 0.00 H new ATOM 0 HB2 CYS A 44 8.816 9.997 -0.303 1.00 0.00 H new ATOM 0 HB3 CYS A 44 7.091 9.743 -0.128 1.00 0.00 H new ATOM 329 N GLN A 45 8.690 6.571 -1.944 1.00 0.00 N ATOM 330 CA GLN A 45 8.513 6.130 -3.318 1.00 0.00 C ATOM 331 C GLN A 45 8.901 4.668 -3.462 1.00 0.00 C ATOM 332 O GLN A 45 10.087 4.323 -3.510 1.00 0.00 O ATOM 333 CB GLN A 45 9.331 6.987 -4.287 1.00 0.00 C ATOM 334 CG GLN A 45 9.219 6.534 -5.738 1.00 0.00 C ATOM 335 CD GLN A 45 10.116 7.317 -6.678 1.00 0.00 C ATOM 336 OE1 GLN A 45 10.346 8.585 -6.373 1.00 0.00 O flip ATOM 337 NE2 GLN A 45 10.589 6.787 -7.679 1.00 0.00 N flip ATOM 0 H GLN A 45 9.323 5.992 -1.391 1.00 0.00 H new ATOM 0 HA GLN A 45 7.459 6.244 -3.569 1.00 0.00 H new ATOM 0 HB2 GLN A 45 9.001 8.023 -4.211 1.00 0.00 H new ATOM 0 HB3 GLN A 45 10.378 6.963 -3.986 1.00 0.00 H new ATOM 0 HG2 GLN A 45 9.472 5.476 -5.802 1.00 0.00 H new ATOM 0 HG3 GLN A 45 8.184 6.635 -6.065 1.00 0.00 H new ATOM 0 HE21 GLN A 45 10.389 5.807 -7.880 1.00 0.00 H new ATOM 0 HE22 GLN A 45 11.182 7.326 -8.310 1.00 0.00 H new ATOM 346 N GLY A 46 7.895 3.815 -3.523 1.00 0.00 N ATOM 347 CA GLY A 46 8.133 2.399 -3.670 1.00 0.00 C ATOM 348 C GLY A 46 6.877 1.591 -3.437 1.00 0.00 C ATOM 349 O GLY A 46 5.769 2.115 -3.559 1.00 0.00 O ATOM 0 H GLY A 46 6.911 4.080 -3.473 1.00 0.00 H new ATOM 0 HA2 GLY A 46 8.515 2.197 -4.671 1.00 0.00 H new ATOM 0 HA3 GLY A 46 8.903 2.085 -2.965 1.00 0.00 H new ATOM 353 N GLN A 47 7.051 0.323 -3.098 1.00 0.00 N ATOM 354 CA GLN A 47 5.932 -0.569 -2.840 1.00 0.00 C ATOM 355 C GLN A 47 5.443 -0.379 -1.408 1.00 0.00 C ATOM 356 O GLN A 47 6.246 -0.189 -0.495 1.00 0.00 O ATOM 357 CB GLN A 47 6.361 -2.020 -3.070 1.00 0.00 C ATOM 358 CG GLN A 47 6.855 -2.289 -4.484 1.00 0.00 C ATOM 359 CD GLN A 47 7.570 -3.620 -4.618 1.00 0.00 C ATOM 360 OE1 GLN A 47 8.209 -4.098 -3.680 1.00 0.00 O ATOM 361 NE2 GLN A 47 7.460 -4.237 -5.783 1.00 0.00 N ATOM 0 H GLN A 47 7.967 -0.115 -2.994 1.00 0.00 H new ATOM 0 HA GLN A 47 5.116 -0.334 -3.524 1.00 0.00 H new ATOM 0 HB2 GLN A 47 7.151 -2.274 -2.363 1.00 0.00 H new ATOM 0 HB3 GLN A 47 5.519 -2.678 -2.856 1.00 0.00 H new ATOM 0 HG2 GLN A 47 6.008 -2.267 -5.169 1.00 0.00 H new ATOM 0 HG3 GLN A 47 7.530 -1.488 -4.786 1.00 0.00 H new ATOM 0 HE21 GLN A 47 6.922 -3.810 -6.537 1.00 0.00 H new ATOM 0 HE22 GLN A 47 7.913 -5.140 -5.927 1.00 0.00 H new ATOM 370 N LEU A 48 4.133 -0.418 -1.217 1.00 0.00 N ATOM 371 CA LEU A 48 3.550 -0.189 0.098 1.00 0.00 C ATOM 372 C LEU A 48 3.580 -1.456 0.941 1.00 0.00 C ATOM 373 O LEU A 48 3.001 -2.482 0.571 1.00 0.00 O ATOM 374 CB LEU A 48 2.111 0.320 -0.030 1.00 0.00 C ATOM 375 CG LEU A 48 1.417 0.667 1.294 1.00 0.00 C ATOM 376 CD1 LEU A 48 2.116 1.825 1.994 1.00 0.00 C ATOM 377 CD2 LEU A 48 -0.048 1.001 1.055 1.00 0.00 C ATOM 0 H LEU A 48 3.454 -0.606 -1.954 1.00 0.00 H new ATOM 0 HA LEU A 48 4.151 0.571 0.598 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.112 1.207 -0.664 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.519 -0.438 -0.543 1.00 0.00 H new ATOM 0 HG LEU A 48 1.477 -0.206 1.943 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.602 2.048 2.929 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.150 1.552 2.204 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.097 2.704 1.350 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.525 1.245 2.004 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.121 1.855 0.382 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.549 0.143 0.607 1.00 0.00 H new ATOM 389 N GLU A 49 4.274 -1.375 2.064 1.00 0.00 N ATOM 390 CA GLU A 49 4.291 -2.449 3.040 1.00 0.00 C ATOM 391 C GLU A 49 3.660 -1.965 4.332 1.00 0.00 C ATOM 392 O GLU A 49 4.046 -0.928 4.873 1.00 0.00 O ATOM 393 CB GLU A 49 5.719 -2.927 3.307 1.00 0.00 C ATOM 394 CG GLU A 49 6.388 -3.567 2.102 1.00 0.00 C ATOM 395 CD GLU A 49 7.834 -3.916 2.372 1.00 0.00 C ATOM 396 OE1 GLU A 49 8.652 -2.990 2.523 1.00 0.00 O ATOM 397 OE2 GLU A 49 8.158 -5.121 2.446 1.00 0.00 O ATOM 0 H GLU A 49 4.839 -0.566 2.323 1.00 0.00 H new ATOM 0 HA GLU A 49 3.722 -3.289 2.642 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.320 -2.080 3.637 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.704 -3.645 4.127 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.844 -4.469 1.823 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.333 -2.886 1.253 1.00 0.00 H new ATOM 404 N VAL A 50 2.684 -2.703 4.817 1.00 0.00 N ATOM 405 CA VAL A 50 1.980 -2.317 6.025 1.00 0.00 C ATOM 406 C VAL A 50 2.210 -3.336 7.126 1.00 0.00 C ATOM 407 O VAL A 50 2.439 -4.518 6.859 1.00 0.00 O ATOM 408 CB VAL A 50 0.463 -2.154 5.781 1.00 0.00 C ATOM 409 CG1 VAL A 50 0.196 -1.040 4.780 1.00 0.00 C ATOM 410 CG2 VAL A 50 -0.159 -3.460 5.306 1.00 0.00 C ATOM 0 H VAL A 50 2.359 -3.573 4.395 1.00 0.00 H new ATOM 0 HA VAL A 50 2.380 -1.351 6.333 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.002 -1.884 6.729 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.878 -0.942 4.623 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.593 -0.101 5.166 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.681 -1.278 3.833 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.227 -3.316 5.142 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.313 -3.770 4.373 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -0.009 -4.231 6.062 1.00 0.00 H new ATOM 420 N TYR A 51 2.178 -2.874 8.361 1.00 0.00 N ATOM 421 CA TYR A 51 2.372 -3.755 9.494 1.00 0.00 C ATOM 422 C TYR A 51 1.032 -4.254 10.009 1.00 0.00 C ATOM 423 O TYR A 51 0.287 -3.516 10.662 1.00 0.00 O ATOM 424 CB TYR A 51 3.131 -3.045 10.615 1.00 0.00 C ATOM 425 CG TYR A 51 3.457 -3.950 11.782 1.00 0.00 C ATOM 426 CD1 TYR A 51 4.563 -4.791 11.745 1.00 0.00 C ATOM 427 CD2 TYR A 51 2.656 -3.973 12.921 1.00 0.00 C ATOM 428 CE1 TYR A 51 4.856 -5.630 12.800 1.00 0.00 C ATOM 429 CE2 TYR A 51 2.947 -4.808 13.981 1.00 0.00 C ATOM 430 CZ TYR A 51 4.048 -5.633 13.916 1.00 0.00 C ATOM 431 OH TYR A 51 4.337 -6.473 14.969 1.00 0.00 O ATOM 0 H TYR A 51 2.020 -1.896 8.604 1.00 0.00 H new ATOM 0 HA TYR A 51 2.966 -4.607 9.162 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.057 -2.633 10.214 1.00 0.00 H new ATOM 0 HB3 TYR A 51 2.536 -2.204 10.971 1.00 0.00 H new ATOM 0 HD1 TYR A 51 5.204 -4.788 10.876 1.00 0.00 H new ATOM 0 HD2 TYR A 51 1.793 -3.327 12.976 1.00 0.00 H new ATOM 0 HE1 TYR A 51 5.716 -6.282 12.751 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.315 -4.814 14.857 1.00 0.00 H new ATOM 0 HH TYR A 51 3.671 -6.351 15.677 1.00 0.00 H new ATOM 441 N LEU A 52 0.728 -5.499 9.702 1.00 0.00 N ATOM 442 CA LEU A 52 -0.475 -6.127 10.204 1.00 0.00 C ATOM 443 C LEU A 52 -0.154 -6.863 11.493 1.00 0.00 C ATOM 444 O LEU A 52 0.989 -6.838 11.955 1.00 0.00 O ATOM 445 CB LEU A 52 -1.067 -7.092 9.171 1.00 0.00 C ATOM 446 CG LEU A 52 -1.414 -6.477 7.813 1.00 0.00 C ATOM 447 CD1 LEU A 52 -2.016 -7.529 6.900 1.00 0.00 C ATOM 448 CD2 LEU A 52 -2.372 -5.307 7.975 1.00 0.00 C ATOM 0 H LEU A 52 1.300 -6.096 9.105 1.00 0.00 H new ATOM 0 HA LEU A 52 -1.220 -5.355 10.399 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.358 -7.904 9.011 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.970 -7.535 9.590 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.495 -6.103 7.362 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.259 -7.079 5.937 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.299 -8.337 6.753 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.924 -7.928 7.353 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.603 -4.888 6.996 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.291 -5.652 8.448 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.909 -4.541 8.598 1.00 0.00 H new ATOM 460 N LYS A 53 -1.137 -7.535 12.059 1.00 0.00 N ATOM 461 CA LYS A 53 -0.954 -8.216 13.331 1.00 0.00 C ATOM 462 C LYS A 53 -0.004 -9.409 13.186 1.00 0.00 C ATOM 463 O LYS A 53 0.532 -9.913 14.172 1.00 0.00 O ATOM 464 CB LYS A 53 -2.314 -8.662 13.878 1.00 0.00 C ATOM 465 CG LYS A 53 -2.313 -8.969 15.363 1.00 0.00 C ATOM 466 CD LYS A 53 -3.727 -9.157 15.882 1.00 0.00 C ATOM 467 CE LYS A 53 -3.755 -9.317 17.390 1.00 0.00 C ATOM 468 NZ LYS A 53 -5.149 -9.373 17.910 1.00 0.00 N ATOM 0 H LYS A 53 -2.071 -7.626 11.660 1.00 0.00 H new ATOM 0 HA LYS A 53 -0.500 -7.521 14.038 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -3.047 -7.880 13.680 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.639 -9.549 13.335 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -1.730 -9.871 15.551 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -1.828 -8.157 15.905 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -4.337 -8.300 15.596 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -4.172 -10.035 15.415 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -3.225 -10.228 17.670 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -3.226 -8.485 17.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -5.130 -9.483 18.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -5.647 -8.494 17.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -5.646 -10.182 17.485 1.00 0.00 H new ATOM 481 N ASP A 54 0.209 -9.854 11.951 1.00 0.00 N ATOM 482 CA ASP A 54 1.100 -10.984 11.689 1.00 0.00 C ATOM 483 C ASP A 54 2.526 -10.509 11.399 1.00 0.00 C ATOM 484 O ASP A 54 3.472 -11.295 11.446 1.00 0.00 O ATOM 485 CB ASP A 54 0.594 -11.821 10.505 1.00 0.00 C ATOM 486 CG ASP A 54 1.050 -11.275 9.162 1.00 0.00 C ATOM 487 OD1 ASP A 54 0.445 -10.298 8.668 1.00 0.00 O ATOM 488 OD2 ASP A 54 2.024 -11.821 8.598 1.00 0.00 O ATOM 0 H ASP A 54 -0.221 -9.452 11.118 1.00 0.00 H new ATOM 0 HA ASP A 54 1.108 -11.602 12.587 1.00 0.00 H new ATOM 0 HB2 ASP A 54 0.946 -12.847 10.614 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.495 -11.854 10.528 1.00 0.00 H new ATOM 493 N GLY A 55 2.674 -9.222 11.110 1.00 0.00 N ATOM 494 CA GLY A 55 3.964 -8.683 10.737 1.00 0.00 C ATOM 495 C GLY A 55 3.858 -7.784 9.524 1.00 0.00 C ATOM 496 O GLY A 55 2.780 -7.269 9.225 1.00 0.00 O ATOM 0 H GLY A 55 1.917 -8.539 11.128 1.00 0.00 H new ATOM 0 HA2 GLY A 55 4.380 -8.121 11.573 1.00 0.00 H new ATOM 0 HA3 GLY A 55 4.654 -9.500 10.527 1.00 0.00 H new ATOM 500 N TRP A 56 4.965 -7.596 8.822 1.00 0.00 N ATOM 501 CA TRP A 56 4.972 -6.757 7.630 1.00 0.00 C ATOM 502 C TRP A 56 4.411 -7.515 6.435 1.00 0.00 C ATOM 503 O TRP A 56 4.744 -8.684 6.213 1.00 0.00 O ATOM 504 CB TRP A 56 6.386 -6.258 7.319 1.00 0.00 C ATOM 505 CG TRP A 56 6.892 -5.244 8.300 1.00 0.00 C ATOM 506 CD1 TRP A 56 7.775 -5.455 9.321 1.00 0.00 C ATOM 507 CD2 TRP A 56 6.546 -3.855 8.351 1.00 0.00 C ATOM 508 NE1 TRP A 56 7.997 -4.282 10.000 1.00 0.00 N ATOM 509 CE2 TRP A 56 7.254 -3.286 9.424 1.00 0.00 C ATOM 510 CE3 TRP A 56 5.706 -3.037 7.592 1.00 0.00 C ATOM 511 CZ2 TRP A 56 7.147 -1.937 9.756 1.00 0.00 C ATOM 512 CZ3 TRP A 56 5.601 -1.702 7.922 1.00 0.00 C ATOM 513 CH2 TRP A 56 6.317 -1.162 8.995 1.00 0.00 C ATOM 0 H TRP A 56 5.868 -8.011 9.054 1.00 0.00 H new ATOM 0 HA TRP A 56 4.337 -5.893 7.827 1.00 0.00 H new ATOM 0 HB2 TRP A 56 7.068 -7.108 7.304 1.00 0.00 H new ATOM 0 HB3 TRP A 56 6.397 -5.822 6.320 1.00 0.00 H new ATOM 0 HD1 TRP A 56 8.231 -6.404 9.559 1.00 0.00 H new ATOM 0 HE1 TRP A 56 8.615 -4.171 10.804 1.00 0.00 H new ATOM 0 HE3 TRP A 56 5.148 -3.443 6.761 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 7.700 -1.519 10.584 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 4.954 -1.062 7.341 1.00 0.00 H new ATOM 0 HH2 TRP A 56 6.212 -0.112 9.227 1.00 0.00 H new ATOM 524 N HIS A 57 3.547 -6.850 5.685 1.00 0.00 N ATOM 525 CA HIS A 57 2.946 -7.432 4.496 1.00 0.00 C ATOM 526 C HIS A 57 2.804 -6.375 3.409 1.00 0.00 C ATOM 527 O HIS A 57 2.405 -5.243 3.681 1.00 0.00 O ATOM 528 CB HIS A 57 1.572 -8.029 4.825 1.00 0.00 C ATOM 529 CG HIS A 57 1.554 -9.528 4.852 1.00 0.00 C ATOM 530 ND1 HIS A 57 1.197 -10.262 5.963 1.00 0.00 N ATOM 531 CD2 HIS A 57 1.809 -10.433 3.873 1.00 0.00 C ATOM 532 CE1 HIS A 57 1.227 -11.546 5.668 1.00 0.00 C ATOM 533 NE2 HIS A 57 1.595 -11.680 4.406 1.00 0.00 N ATOM 0 H HIS A 57 3.244 -5.896 5.882 1.00 0.00 H new ATOM 0 HA HIS A 57 3.597 -8.229 4.136 1.00 0.00 H new ATOM 0 HB2 HIS A 57 1.246 -7.654 5.795 1.00 0.00 H new ATOM 0 HB3 HIS A 57 0.849 -7.679 4.088 1.00 0.00 H new ATOM 0 HD1 HIS A 57 0.948 -9.872 6.872 1.00 0.00 H new ATOM 0 HD2 HIS A 57 2.122 -10.213 2.863 1.00 0.00 H new ATOM 0 HE1 HIS A 57 0.990 -12.354 6.345 1.00 0.00 H new ATOM 541 N MET A 58 3.141 -6.747 2.185 1.00 0.00 N ATOM 542 CA MET A 58 3.023 -5.842 1.049 1.00 0.00 C ATOM 543 C MET A 58 1.571 -5.736 0.614 1.00 0.00 C ATOM 544 O MET A 58 0.801 -6.675 0.786 1.00 0.00 O ATOM 545 CB MET A 58 3.867 -6.345 -0.120 1.00 0.00 C ATOM 546 CG MET A 58 5.350 -6.439 0.186 1.00 0.00 C ATOM 547 SD MET A 58 6.285 -7.145 -1.181 1.00 0.00 S ATOM 548 CE MET A 58 5.758 -6.078 -2.520 1.00 0.00 C ATOM 0 H MET A 58 3.500 -7.672 1.950 1.00 0.00 H new ATOM 0 HA MET A 58 3.382 -4.859 1.353 1.00 0.00 H new ATOM 0 HB2 MET A 58 3.505 -7.329 -0.420 1.00 0.00 H new ATOM 0 HB3 MET A 58 3.723 -5.680 -0.971 1.00 0.00 H new ATOM 0 HG2 MET A 58 5.736 -5.445 0.412 1.00 0.00 H new ATOM 0 HG3 MET A 58 5.497 -7.049 1.077 1.00 0.00 H new ATOM 0 HE1 MET A 58 6.441 -6.187 -3.363 1.00 0.00 H new ATOM 0 HE2 MET A 58 4.751 -6.355 -2.831 1.00 0.00 H new ATOM 0 HE3 MET A 58 5.762 -5.042 -2.182 1.00 0.00 H new ATOM 558 N VAL A 59 1.198 -4.601 0.049 1.00 0.00 N ATOM 559 CA VAL A 59 -0.162 -4.412 -0.430 1.00 0.00 C ATOM 560 C VAL A 59 -0.233 -4.652 -1.935 1.00 0.00 C ATOM 561 O VAL A 59 0.597 -4.150 -2.694 1.00 0.00 O ATOM 562 CB VAL A 59 -0.690 -2.997 -0.100 1.00 0.00 C ATOM 563 CG1 VAL A 59 -2.124 -2.826 -0.576 1.00 0.00 C ATOM 564 CG2 VAL A 59 -0.602 -2.720 1.393 1.00 0.00 C ATOM 0 H VAL A 59 1.813 -3.799 -0.089 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.794 -5.137 0.082 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.061 -2.279 -0.626 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.471 -1.822 -0.332 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.169 -2.973 -1.655 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -2.761 -3.560 -0.083 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.979 -1.719 1.600 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.200 -3.452 1.935 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.437 -2.790 1.715 1.00 0.00 H new ATOM 574 N CYS A 60 -1.211 -5.438 -2.358 1.00 0.00 N ATOM 575 CA CYS A 60 -1.424 -5.696 -3.775 1.00 0.00 C ATOM 576 C CYS A 60 -2.474 -4.719 -4.303 1.00 0.00 C ATOM 577 O CYS A 60 -3.497 -4.494 -3.652 1.00 0.00 O ATOM 578 CB CYS A 60 -1.885 -7.147 -3.979 1.00 0.00 C ATOM 579 SG CYS A 60 -1.589 -7.816 -5.651 1.00 0.00 S ATOM 0 H CYS A 60 -1.871 -5.909 -1.740 1.00 0.00 H new ATOM 0 HA CYS A 60 -0.493 -5.554 -4.323 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -1.375 -7.781 -3.254 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -2.951 -7.209 -3.762 1.00 0.00 H new ATOM 584 N SER A 61 -2.212 -4.137 -5.475 1.00 0.00 N ATOM 585 CA SER A 61 -3.066 -3.086 -6.041 1.00 0.00 C ATOM 586 C SER A 61 -4.492 -3.572 -6.333 1.00 0.00 C ATOM 587 O SER A 61 -5.387 -2.765 -6.566 1.00 0.00 O ATOM 588 CB SER A 61 -2.434 -2.546 -7.325 1.00 0.00 C ATOM 589 OG SER A 61 -1.072 -2.210 -7.119 1.00 0.00 O ATOM 0 H SER A 61 -1.409 -4.377 -6.056 1.00 0.00 H new ATOM 0 HA SER A 61 -3.142 -2.297 -5.293 1.00 0.00 H new ATOM 0 HB2 SER A 61 -2.512 -3.293 -8.115 1.00 0.00 H new ATOM 0 HB3 SER A 61 -2.982 -1.666 -7.662 1.00 0.00 H new ATOM 0 HG SER A 61 -0.524 -2.620 -7.821 1.00 0.00 H new ATOM 595 N GLN A 62 -4.700 -4.886 -6.314 1.00 0.00 N ATOM 596 CA GLN A 62 -6.019 -5.455 -6.583 1.00 0.00 C ATOM 597 C GLN A 62 -6.919 -5.374 -5.341 1.00 0.00 C ATOM 598 O GLN A 62 -8.099 -5.728 -5.388 1.00 0.00 O ATOM 599 CB GLN A 62 -5.874 -6.911 -7.055 1.00 0.00 C ATOM 600 CG GLN A 62 -7.168 -7.546 -7.549 1.00 0.00 C ATOM 601 CD GLN A 62 -7.795 -6.786 -8.704 1.00 0.00 C ATOM 602 OE1 GLN A 62 -7.505 -7.049 -9.871 1.00 0.00 O ATOM 603 NE2 GLN A 62 -8.666 -5.844 -8.389 1.00 0.00 N ATOM 0 H GLN A 62 -3.975 -5.576 -6.116 1.00 0.00 H new ATOM 0 HA GLN A 62 -6.493 -4.873 -7.373 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -5.137 -6.948 -7.857 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -5.481 -7.509 -6.233 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -6.968 -8.571 -7.861 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -7.880 -7.597 -6.725 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -8.881 -5.655 -7.410 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -9.124 -5.306 -9.125 1.00 0.00 H new ATOM 612 N SER A 63 -6.365 -4.885 -4.237 1.00 0.00 N ATOM 613 CA SER A 63 -7.106 -4.785 -2.986 1.00 0.00 C ATOM 614 C SER A 63 -8.230 -3.751 -3.084 1.00 0.00 C ATOM 615 O SER A 63 -8.164 -2.825 -3.891 1.00 0.00 O ATOM 616 CB SER A 63 -6.156 -4.409 -1.845 1.00 0.00 C ATOM 617 OG SER A 63 -5.161 -5.404 -1.663 1.00 0.00 O ATOM 0 H SER A 63 -5.403 -4.551 -4.184 1.00 0.00 H new ATOM 0 HA SER A 63 -7.556 -5.757 -2.784 1.00 0.00 H new ATOM 0 HB2 SER A 63 -5.682 -3.452 -2.062 1.00 0.00 H new ATOM 0 HB3 SER A 63 -6.722 -4.283 -0.922 1.00 0.00 H new ATOM 0 HG SER A 63 -4.443 -5.272 -2.316 1.00 0.00 H new ATOM 623 N TRP A 64 -9.265 -3.942 -2.264 1.00 0.00 N ATOM 624 CA TRP A 64 -10.391 -3.004 -2.156 1.00 0.00 C ATOM 625 C TRP A 64 -11.062 -2.750 -3.504 1.00 0.00 C ATOM 626 O TRP A 64 -11.652 -1.689 -3.718 1.00 0.00 O ATOM 627 CB TRP A 64 -9.927 -1.678 -1.545 1.00 0.00 C ATOM 628 CG TRP A 64 -9.213 -1.843 -0.239 1.00 0.00 C ATOM 629 CD1 TRP A 64 -9.732 -2.320 0.930 1.00 0.00 C ATOM 630 CD2 TRP A 64 -7.847 -1.521 0.031 1.00 0.00 C ATOM 631 NE1 TRP A 64 -8.767 -2.317 1.908 1.00 0.00 N ATOM 632 CE2 TRP A 64 -7.602 -1.828 1.379 1.00 0.00 C ATOM 633 CE3 TRP A 64 -6.808 -1.002 -0.743 1.00 0.00 C ATOM 634 CZ2 TRP A 64 -6.359 -1.632 1.971 1.00 0.00 C ATOM 635 CZ3 TRP A 64 -5.575 -0.808 -0.156 1.00 0.00 C ATOM 636 CH2 TRP A 64 -5.359 -1.122 1.188 1.00 0.00 C ATOM 0 H TRP A 64 -9.349 -4.754 -1.652 1.00 0.00 H new ATOM 0 HA TRP A 64 -11.130 -3.466 -1.502 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -9.267 -1.173 -2.250 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -10.792 -1.031 -1.399 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -10.751 -2.651 1.066 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -8.897 -2.628 2.871 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -6.967 -0.757 -1.783 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -6.189 -1.873 3.010 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -4.763 -0.407 -0.745 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -4.382 -0.959 1.618 1.00 0.00 H new ATOM 647 N GLY A 65 -10.973 -3.728 -4.403 1.00 0.00 N ATOM 648 CA GLY A 65 -11.614 -3.614 -5.703 1.00 0.00 C ATOM 649 C GLY A 65 -11.049 -2.483 -6.540 1.00 0.00 C ATOM 650 O GLY A 65 -11.796 -1.740 -7.180 1.00 0.00 O ATOM 0 H GLY A 65 -10.466 -4.601 -4.253 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -11.498 -4.553 -6.244 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -12.684 -3.457 -5.563 1.00 0.00 H new ATOM 654 N ARG A 66 -9.732 -2.342 -6.530 1.00 0.00 N ATOM 655 CA ARG A 66 -9.075 -1.289 -7.286 1.00 0.00 C ATOM 656 C ARG A 66 -8.343 -1.878 -8.483 1.00 0.00 C ATOM 657 O ARG A 66 -7.824 -2.994 -8.420 1.00 0.00 O ATOM 658 CB ARG A 66 -8.106 -0.520 -6.385 1.00 0.00 C ATOM 659 CG ARG A 66 -8.771 0.052 -5.140 1.00 0.00 C ATOM 660 CD ARG A 66 -9.886 1.027 -5.494 1.00 0.00 C ATOM 661 NE ARG A 66 -10.836 1.199 -4.395 1.00 0.00 N ATOM 662 CZ ARG A 66 -11.525 2.314 -4.170 1.00 0.00 C ATOM 663 NH1 ARG A 66 -11.352 3.379 -4.943 1.00 0.00 N ATOM 664 NH2 ARG A 66 -12.394 2.366 -3.173 1.00 0.00 N ATOM 0 H ARG A 66 -9.098 -2.945 -6.006 1.00 0.00 H new ATOM 0 HA ARG A 66 -9.830 -0.594 -7.654 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -7.295 -1.184 -6.084 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -7.657 0.293 -6.955 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -9.176 -0.761 -4.538 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -8.024 0.559 -4.529 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -9.453 1.993 -5.753 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -10.415 0.667 -6.377 1.00 0.00 H new ATOM 0 HE ARG A 66 -10.979 0.413 -3.761 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -10.687 3.346 -5.716 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -11.884 4.231 -4.764 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -12.535 1.551 -2.577 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -12.922 3.221 -3.001 1.00 0.00 H new ATOM 677 N SER A 67 -8.325 -1.130 -9.573 1.00 0.00 N ATOM 678 CA SER A 67 -7.727 -1.589 -10.811 1.00 0.00 C ATOM 679 C SER A 67 -6.224 -1.345 -10.809 1.00 0.00 C ATOM 680 O SER A 67 -5.712 -0.565 -10.005 1.00 0.00 O ATOM 681 CB SER A 67 -8.390 -0.879 -11.992 1.00 0.00 C ATOM 682 OG SER A 67 -8.404 0.530 -11.803 1.00 0.00 O ATOM 0 H SER A 67 -8.723 -0.192 -9.623 1.00 0.00 H new ATOM 0 HA SER A 67 -7.888 -2.663 -10.906 1.00 0.00 H new ATOM 0 HB2 SER A 67 -7.856 -1.120 -12.911 1.00 0.00 H new ATOM 0 HB3 SER A 67 -9.411 -1.243 -12.112 1.00 0.00 H new ATOM 0 HG SER A 67 -8.832 0.959 -12.573 1.00 0.00 H new ATOM 688 N SER A 68 -5.522 -2.021 -11.710 1.00 0.00 N ATOM 689 CA SER A 68 -4.075 -1.900 -11.809 1.00 0.00 C ATOM 690 C SER A 68 -3.702 -0.616 -12.552 1.00 0.00 C ATOM 691 O SER A 68 -2.960 -0.639 -13.537 1.00 0.00 O ATOM 692 CB SER A 68 -3.501 -3.130 -12.524 1.00 0.00 C ATOM 693 OG SER A 68 -2.097 -3.233 -12.345 1.00 0.00 O ATOM 0 H SER A 68 -5.936 -2.663 -12.386 1.00 0.00 H new ATOM 0 HA SER A 68 -3.649 -1.848 -10.807 1.00 0.00 H new ATOM 0 HB2 SER A 68 -3.983 -4.030 -12.144 1.00 0.00 H new ATOM 0 HB3 SER A 68 -3.729 -3.072 -13.588 1.00 0.00 H new ATOM 0 HG SER A 68 -1.666 -2.410 -12.657 1.00 0.00 H new ATOM 699 N LYS A 69 -4.237 0.493 -12.066 1.00 0.00 N ATOM 700 CA LYS A 69 -4.010 1.805 -12.647 1.00 0.00 C ATOM 701 C LYS A 69 -3.899 2.829 -11.525 1.00 0.00 C ATOM 702 O LYS A 69 -4.383 2.591 -10.418 1.00 0.00 O ATOM 703 CB LYS A 69 -5.170 2.190 -13.575 1.00 0.00 C ATOM 704 CG LYS A 69 -5.290 1.329 -14.824 1.00 0.00 C ATOM 705 CD LYS A 69 -4.091 1.503 -15.742 1.00 0.00 C ATOM 706 CE LYS A 69 -4.251 0.697 -17.021 1.00 0.00 C ATOM 707 NZ LYS A 69 -4.419 -0.754 -16.742 1.00 0.00 N ATOM 0 H LYS A 69 -4.847 0.507 -11.249 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.090 1.783 -13.230 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -6.103 2.128 -13.015 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -5.048 3.230 -13.876 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -5.380 0.281 -14.537 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -6.201 1.592 -15.361 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -3.969 2.558 -15.988 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -3.185 1.189 -15.223 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -5.115 1.063 -17.576 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -3.378 0.846 -17.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -4.321 -1.291 -17.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -3.691 -1.064 -16.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -5.362 -0.923 -16.337 1.00 0.00 H new ATOM 720 N GLN A 70 -3.246 3.946 -11.799 1.00 0.00 N ATOM 721 CA GLN A 70 -3.152 5.021 -10.828 1.00 0.00 C ATOM 722 C GLN A 70 -4.452 5.817 -10.822 1.00 0.00 C ATOM 723 O GLN A 70 -4.745 6.537 -11.781 1.00 0.00 O ATOM 724 CB GLN A 70 -1.967 5.941 -11.153 1.00 0.00 C ATOM 725 CG GLN A 70 -1.658 6.950 -10.056 1.00 0.00 C ATOM 726 CD GLN A 70 -1.843 8.396 -10.490 1.00 0.00 C ATOM 727 OE1 GLN A 70 -1.140 9.288 -10.015 1.00 0.00 O ATOM 728 NE2 GLN A 70 -2.797 8.646 -11.374 1.00 0.00 N ATOM 0 H GLN A 70 -2.774 4.131 -12.684 1.00 0.00 H new ATOM 0 HA GLN A 70 -2.988 4.592 -9.840 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -1.082 5.330 -11.332 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -2.177 6.477 -12.079 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -2.302 6.751 -9.199 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -0.630 6.808 -9.722 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -3.360 7.882 -11.746 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -2.968 9.603 -11.682 1.00 0.00 H new ATOM 737 N TRP A 71 -5.237 5.670 -9.764 1.00 0.00 N ATOM 738 CA TRP A 71 -6.504 6.381 -9.657 1.00 0.00 C ATOM 739 C TRP A 71 -6.274 7.876 -9.453 1.00 0.00 C ATOM 740 O TRP A 71 -5.202 8.301 -9.020 1.00 0.00 O ATOM 741 CB TRP A 71 -7.377 5.797 -8.539 1.00 0.00 C ATOM 742 CG TRP A 71 -6.633 5.457 -7.285 1.00 0.00 C ATOM 743 CD1 TRP A 71 -6.337 6.296 -6.250 1.00 0.00 C ATOM 744 CD2 TRP A 71 -6.098 4.175 -6.932 1.00 0.00 C ATOM 745 NE1 TRP A 71 -5.652 5.614 -5.275 1.00 0.00 N ATOM 746 CE2 TRP A 71 -5.492 4.310 -5.671 1.00 0.00 C ATOM 747 CE3 TRP A 71 -6.072 2.926 -7.562 1.00 0.00 C ATOM 748 CZ2 TRP A 71 -4.869 3.243 -5.027 1.00 0.00 C ATOM 749 CZ3 TRP A 71 -5.453 1.869 -6.921 1.00 0.00 C ATOM 750 CH2 TRP A 71 -4.858 2.034 -5.666 1.00 0.00 C ATOM 0 H TRP A 71 -5.020 5.067 -8.970 1.00 0.00 H new ATOM 0 HA TRP A 71 -7.041 6.249 -10.596 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -8.163 6.512 -8.298 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -7.868 4.898 -8.911 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -6.602 7.342 -6.205 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -5.316 6.012 -4.398 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -6.527 2.790 -8.532 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -4.411 3.366 -4.057 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -5.428 0.900 -7.397 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -4.380 1.189 -5.192 1.00 0.00 H new ATOM 761 N GLU A 72 -7.299 8.658 -9.769 1.00 0.00 N ATOM 762 CA GLU A 72 -7.168 10.106 -9.931 1.00 0.00 C ATOM 763 C GLU A 72 -6.845 10.841 -8.636 1.00 0.00 C ATOM 764 O GLU A 72 -6.435 12.000 -8.681 1.00 0.00 O ATOM 765 CB GLU A 72 -8.449 10.702 -10.526 1.00 0.00 C ATOM 766 CG GLU A 72 -8.770 10.239 -11.941 1.00 0.00 C ATOM 767 CD GLU A 72 -9.195 8.787 -12.007 1.00 0.00 C ATOM 768 OE1 GLU A 72 -9.971 8.352 -11.133 1.00 0.00 O ATOM 769 OE2 GLU A 72 -8.746 8.071 -12.925 1.00 0.00 O ATOM 0 H GLU A 72 -8.245 8.309 -9.921 1.00 0.00 H new ATOM 0 HA GLU A 72 -6.325 10.246 -10.608 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -9.287 10.448 -9.877 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -8.362 11.789 -10.525 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -9.564 10.863 -12.350 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -7.893 10.384 -12.572 1.00 0.00 H new ATOM 776 N ASP A 73 -7.032 10.204 -7.490 1.00 0.00 N ATOM 777 CA ASP A 73 -6.801 10.889 -6.222 1.00 0.00 C ATOM 778 C ASP A 73 -6.019 10.027 -5.235 1.00 0.00 C ATOM 779 O ASP A 73 -6.595 9.220 -4.506 1.00 0.00 O ATOM 780 CB ASP A 73 -8.119 11.323 -5.585 1.00 0.00 C ATOM 781 CG ASP A 73 -7.895 12.174 -4.352 1.00 0.00 C ATOM 782 OD1 ASP A 73 -7.236 13.230 -4.469 1.00 0.00 O ATOM 783 OD2 ASP A 73 -8.356 11.785 -3.258 1.00 0.00 O ATOM 0 H ASP A 73 -7.337 9.234 -7.408 1.00 0.00 H new ATOM 0 HA ASP A 73 -6.203 11.771 -6.452 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -8.707 11.884 -6.312 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -8.701 10.441 -5.317 1.00 0.00 H new ATOM 788 N PRO A 74 -4.687 10.186 -5.209 1.00 0.00 N ATOM 789 CA PRO A 74 -3.813 9.508 -4.248 1.00 0.00 C ATOM 790 C PRO A 74 -3.784 10.209 -2.890 1.00 0.00 C ATOM 791 O PRO A 74 -3.182 9.708 -1.938 1.00 0.00 O ATOM 792 CB PRO A 74 -2.423 9.592 -4.905 1.00 0.00 C ATOM 793 CG PRO A 74 -2.650 10.189 -6.256 1.00 0.00 C ATOM 794 CD PRO A 74 -3.904 10.996 -6.139 1.00 0.00 C ATOM 0 HA PRO A 74 -4.152 8.492 -4.046 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -1.747 10.209 -4.313 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -1.967 8.605 -4.985 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -1.809 10.815 -6.553 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -2.754 9.413 -7.014 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -3.713 11.996 -5.751 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -4.405 11.117 -7.100 1.00 0.00 H new ATOM 802 N SER A 75 -4.453 11.358 -2.808 1.00 0.00 N ATOM 803 CA SER A 75 -4.414 12.220 -1.624 1.00 0.00 C ATOM 804 C SER A 75 -4.815 11.479 -0.347 1.00 0.00 C ATOM 805 O SER A 75 -4.406 11.858 0.749 1.00 0.00 O ATOM 806 CB SER A 75 -5.333 13.421 -1.827 1.00 0.00 C ATOM 807 OG SER A 75 -5.135 14.004 -3.104 1.00 0.00 O ATOM 0 H SER A 75 -5.039 11.719 -3.561 1.00 0.00 H new ATOM 0 HA SER A 75 -3.383 12.551 -1.501 1.00 0.00 H new ATOM 0 HB2 SER A 75 -6.372 13.109 -1.723 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.144 14.163 -1.051 1.00 0.00 H new ATOM 0 HG SER A 75 -5.987 14.030 -3.587 1.00 0.00 H new ATOM 813 N GLN A 76 -5.596 10.416 -0.492 1.00 0.00 N ATOM 814 CA GLN A 76 -6.057 9.637 0.655 1.00 0.00 C ATOM 815 C GLN A 76 -4.891 9.001 1.421 1.00 0.00 C ATOM 816 O GLN A 76 -5.053 8.587 2.566 1.00 0.00 O ATOM 817 CB GLN A 76 -7.036 8.552 0.197 1.00 0.00 C ATOM 818 CG GLN A 76 -8.358 9.094 -0.335 1.00 0.00 C ATOM 819 CD GLN A 76 -9.300 9.589 0.757 1.00 0.00 C ATOM 820 OE1 GLN A 76 -8.753 10.101 1.850 1.00 0.00 O flip ATOM 821 NE2 GLN A 76 -10.523 9.517 0.609 1.00 0.00 N flip ATOM 0 H GLN A 76 -5.925 10.071 -1.394 1.00 0.00 H new ATOM 0 HA GLN A 76 -6.564 10.322 1.334 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -6.561 7.954 -0.581 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -7.239 7.884 1.034 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -8.154 9.913 -1.025 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -8.858 8.312 -0.907 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -10.911 9.117 -0.245 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -11.146 9.858 1.341 1.00 0.00 H new ATOM 830 N ALA A 77 -3.722 8.943 0.796 1.00 0.00 N ATOM 831 CA ALA A 77 -2.556 8.327 1.419 1.00 0.00 C ATOM 832 C ALA A 77 -1.592 9.376 1.964 1.00 0.00 C ATOM 833 O ALA A 77 -0.462 9.057 2.344 1.00 0.00 O ATOM 834 CB ALA A 77 -1.842 7.427 0.424 1.00 0.00 C ATOM 0 H ALA A 77 -3.555 9.314 -0.140 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.906 7.727 2.259 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.974 6.973 0.902 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.522 6.644 0.089 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.518 8.017 -0.433 1.00 0.00 H new ATOM 840 N SER A 78 -2.044 10.624 2.009 1.00 0.00 N ATOM 841 CA SER A 78 -1.214 11.727 2.485 1.00 0.00 C ATOM 842 C SER A 78 -0.712 11.487 3.907 1.00 0.00 C ATOM 843 O SER A 78 0.410 11.857 4.246 1.00 0.00 O ATOM 844 CB SER A 78 -1.999 13.035 2.420 1.00 0.00 C ATOM 845 OG SER A 78 -3.288 12.876 2.989 1.00 0.00 O ATOM 0 H SER A 78 -2.983 10.899 1.721 1.00 0.00 H new ATOM 0 HA SER A 78 -0.342 11.792 1.834 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.456 13.817 2.951 1.00 0.00 H new ATOM 0 HB3 SER A 78 -2.091 13.358 1.383 1.00 0.00 H new ATOM 0 HG SER A 78 -3.905 12.530 2.310 1.00 0.00 H new ATOM 851 N LYS A 79 -1.539 10.851 4.729 1.00 0.00 N ATOM 852 CA LYS A 79 -1.187 10.593 6.120 1.00 0.00 C ATOM 853 C LYS A 79 -0.051 9.579 6.220 1.00 0.00 C ATOM 854 O LYS A 79 0.740 9.609 7.165 1.00 0.00 O ATOM 855 CB LYS A 79 -2.417 10.124 6.898 1.00 0.00 C ATOM 856 CG LYS A 79 -3.552 11.132 6.859 1.00 0.00 C ATOM 857 CD LYS A 79 -3.103 12.484 7.393 1.00 0.00 C ATOM 858 CE LYS A 79 -4.071 13.595 7.021 1.00 0.00 C ATOM 859 NZ LYS A 79 -5.430 13.380 7.583 1.00 0.00 N ATOM 0 H LYS A 79 -2.459 10.504 4.456 1.00 0.00 H new ATOM 0 HA LYS A 79 -0.834 11.523 6.565 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -2.763 9.176 6.486 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -2.137 9.937 7.935 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -3.909 11.242 5.835 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -4.390 10.764 7.451 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -3.010 12.432 8.478 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -2.114 12.719 7.000 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -3.680 14.547 7.379 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -4.138 13.666 5.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -6.012 14.226 7.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -5.871 12.559 7.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -5.359 13.204 8.606 1.00 0.00 H new ATOM 872 N VAL A 80 0.043 8.696 5.234 1.00 0.00 N ATOM 873 CA VAL A 80 1.157 7.765 5.163 1.00 0.00 C ATOM 874 C VAL A 80 2.426 8.527 4.803 1.00 0.00 C ATOM 875 O VAL A 80 3.453 8.386 5.466 1.00 0.00 O ATOM 876 CB VAL A 80 0.912 6.641 4.130 1.00 0.00 C ATOM 877 CG1 VAL A 80 2.135 5.740 4.003 1.00 0.00 C ATOM 878 CG2 VAL A 80 -0.310 5.821 4.512 1.00 0.00 C ATOM 0 H VAL A 80 -0.635 8.606 4.478 1.00 0.00 H new ATOM 0 HA VAL A 80 1.262 7.293 6.140 1.00 0.00 H new ATOM 0 HB VAL A 80 0.730 7.108 3.162 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.936 4.958 3.270 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.991 6.332 3.679 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.354 5.285 4.969 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.466 5.035 3.773 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -0.154 5.371 5.493 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.187 6.468 4.544 1.00 0.00 H new ATOM 888 N CYS A 81 2.330 9.365 3.770 1.00 0.00 N ATOM 889 CA CYS A 81 3.449 10.203 3.349 1.00 0.00 C ATOM 890 C CYS A 81 3.906 11.099 4.493 1.00 0.00 C ATOM 891 O CYS A 81 5.103 11.286 4.704 1.00 0.00 O ATOM 892 CB CYS A 81 3.054 11.065 2.144 1.00 0.00 C ATOM 893 SG CYS A 81 2.347 10.125 0.752 1.00 0.00 S ATOM 0 H CYS A 81 1.486 9.480 3.209 1.00 0.00 H new ATOM 0 HA CYS A 81 4.271 9.548 3.061 1.00 0.00 H new ATOM 0 HB2 CYS A 81 2.330 11.812 2.468 1.00 0.00 H new ATOM 0 HB3 CYS A 81 3.934 11.605 1.794 1.00 0.00 H new ATOM 898 N GLN A 82 2.942 11.632 5.238 1.00 0.00 N ATOM 899 CA GLN A 82 3.222 12.503 6.372 1.00 0.00 C ATOM 900 C GLN A 82 4.133 11.803 7.378 1.00 0.00 C ATOM 901 O GLN A 82 5.148 12.357 7.804 1.00 0.00 O ATOM 902 CB GLN A 82 1.912 12.908 7.056 1.00 0.00 C ATOM 903 CG GLN A 82 2.071 14.003 8.102 1.00 0.00 C ATOM 904 CD GLN A 82 2.364 15.357 7.485 1.00 0.00 C ATOM 905 OE1 GLN A 82 1.448 16.127 7.187 1.00 0.00 O ATOM 906 NE2 GLN A 82 3.638 15.665 7.298 1.00 0.00 N ATOM 0 H GLN A 82 1.948 11.472 5.072 1.00 0.00 H new ATOM 0 HA GLN A 82 3.729 13.395 6.004 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.207 13.245 6.296 1.00 0.00 H new ATOM 0 HB3 GLN A 82 1.474 12.029 7.529 1.00 0.00 H new ATOM 0 HG2 GLN A 82 1.160 14.068 8.697 1.00 0.00 H new ATOM 0 HG3 GLN A 82 2.878 13.735 8.784 1.00 0.00 H new ATOM 0 HE21 GLN A 82 4.367 15.000 7.558 1.00 0.00 H new ATOM 0 HE22 GLN A 82 3.891 16.567 6.894 1.00 0.00 H new ATOM 915 N ARG A 83 3.781 10.569 7.729 1.00 0.00 N ATOM 916 CA ARG A 83 4.532 9.810 8.724 1.00 0.00 C ATOM 917 C ARG A 83 5.842 9.273 8.152 1.00 0.00 C ATOM 918 O ARG A 83 6.723 8.841 8.895 1.00 0.00 O ATOM 919 CB ARG A 83 3.686 8.665 9.289 1.00 0.00 C ATOM 920 CG ARG A 83 2.517 9.132 10.148 1.00 0.00 C ATOM 921 CD ARG A 83 2.982 10.054 11.267 1.00 0.00 C ATOM 922 NE ARG A 83 1.915 10.376 12.214 1.00 0.00 N ATOM 923 CZ ARG A 83 1.420 11.599 12.381 1.00 0.00 C ATOM 924 NH1 ARG A 83 1.815 12.591 11.598 1.00 0.00 N ATOM 925 NH2 ARG A 83 0.515 11.832 13.317 1.00 0.00 N ATOM 0 H ARG A 83 2.980 10.073 7.339 1.00 0.00 H new ATOM 0 HA ARG A 83 4.779 10.494 9.536 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.302 8.067 8.463 1.00 0.00 H new ATOM 0 HB3 ARG A 83 4.325 8.013 9.884 1.00 0.00 H new ATOM 0 HG2 ARG A 83 1.790 9.653 9.524 1.00 0.00 H new ATOM 0 HG3 ARG A 83 2.009 8.267 10.575 1.00 0.00 H new ATOM 0 HD2 ARG A 83 3.806 9.582 11.802 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.369 10.977 10.835 1.00 0.00 H new ATOM 0 HE ARG A 83 1.528 9.619 12.779 1.00 0.00 H new ATOM 0 HH11 ARG A 83 2.501 12.419 10.863 1.00 0.00 H new ATOM 0 HH12 ARG A 83 1.433 13.528 11.729 1.00 0.00 H new ATOM 0 HH21 ARG A 83 0.193 11.072 13.916 1.00 0.00 H new ATOM 0 HH22 ARG A 83 0.139 12.772 13.440 1.00 0.00 H new ATOM 938 N LEU A 84 5.970 9.302 6.834 1.00 0.00 N ATOM 939 CA LEU A 84 7.225 8.943 6.184 1.00 0.00 C ATOM 940 C LEU A 84 8.081 10.190 5.970 1.00 0.00 C ATOM 941 O LEU A 84 9.086 10.160 5.252 1.00 0.00 O ATOM 942 CB LEU A 84 6.954 8.247 4.851 1.00 0.00 C ATOM 943 CG LEU A 84 6.182 6.929 4.952 1.00 0.00 C ATOM 944 CD1 LEU A 84 5.869 6.387 3.568 1.00 0.00 C ATOM 945 CD2 LEU A 84 6.970 5.905 5.751 1.00 0.00 C ATOM 0 H LEU A 84 5.223 9.570 6.193 1.00 0.00 H new ATOM 0 HA LEU A 84 7.768 8.252 6.829 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.396 8.929 4.210 1.00 0.00 H new ATOM 0 HB3 LEU A 84 7.907 8.055 4.359 1.00 0.00 H new ATOM 0 HG LEU A 84 5.243 7.124 5.470 1.00 0.00 H new ATOM 0 HD11 LEU A 84 5.320 5.450 3.660 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.263 7.110 3.022 1.00 0.00 H new ATOM 0 HD13 LEU A 84 6.799 6.211 3.027 1.00 0.00 H new ATOM 0 HD21 LEU A 84 6.403 4.976 5.811 1.00 0.00 H new ATOM 0 HD22 LEU A 84 7.925 5.717 5.260 1.00 0.00 H new ATOM 0 HD23 LEU A 84 7.148 6.287 6.756 1.00 0.00 H new ATOM 957 N ASN A 85 7.660 11.279 6.616 1.00 0.00 N ATOM 958 CA ASN A 85 8.350 12.565 6.558 1.00 0.00 C ATOM 959 C ASN A 85 8.310 13.135 5.142 1.00 0.00 C ATOM 960 O ASN A 85 9.340 13.486 4.562 1.00 0.00 O ATOM 961 CB ASN A 85 9.794 12.434 7.060 1.00 0.00 C ATOM 962 CG ASN A 85 10.457 13.780 7.298 1.00 0.00 C ATOM 963 OD1 ASN A 85 9.793 14.764 7.624 1.00 0.00 O ATOM 964 ND2 ASN A 85 11.771 13.828 7.146 1.00 0.00 N ATOM 0 H ASN A 85 6.823 11.291 7.199 1.00 0.00 H new ATOM 0 HA ASN A 85 7.830 13.261 7.216 1.00 0.00 H new ATOM 0 HB2 ASN A 85 9.801 11.861 7.987 1.00 0.00 H new ATOM 0 HB3 ASN A 85 10.377 11.870 6.332 1.00 0.00 H new ATOM 0 HD21 ASN A 85 12.271 14.704 7.300 1.00 0.00 H new ATOM 0 HD22 ASN A 85 12.284 12.989 6.875 1.00 0.00 H new ATOM 971 N CYS A 86 7.104 13.197 4.586 1.00 0.00 N ATOM 972 CA CYS A 86 6.880 13.761 3.264 1.00 0.00 C ATOM 973 C CYS A 86 5.555 14.523 3.229 1.00 0.00 C ATOM 974 O CYS A 86 4.829 14.562 4.224 1.00 0.00 O ATOM 975 CB CYS A 86 6.892 12.657 2.200 1.00 0.00 C ATOM 976 SG CYS A 86 8.530 11.907 1.937 1.00 0.00 S ATOM 0 H CYS A 86 6.257 12.857 5.041 1.00 0.00 H new ATOM 0 HA CYS A 86 7.688 14.459 3.044 1.00 0.00 H new ATOM 0 HB2 CYS A 86 6.188 11.877 2.491 1.00 0.00 H new ATOM 0 HB3 CYS A 86 6.537 13.071 1.256 1.00 0.00 H new ATOM 981 N GLY A 87 5.249 15.125 2.087 1.00 0.00 N ATOM 982 CA GLY A 87 4.047 15.923 1.959 1.00 0.00 C ATOM 983 C GLY A 87 2.933 15.209 1.217 1.00 0.00 C ATOM 984 O GLY A 87 2.421 14.187 1.679 1.00 0.00 O ATOM 0 H GLY A 87 5.817 15.073 1.242 1.00 0.00 H new ATOM 0 HA2 GLY A 87 3.694 16.199 2.953 1.00 0.00 H new ATOM 0 HA3 GLY A 87 4.287 16.849 1.437 1.00 0.00 H new ATOM 988 N ASP A 88 2.563 15.747 0.060 1.00 0.00 N ATOM 989 CA ASP A 88 1.433 15.226 -0.706 1.00 0.00 C ATOM 990 C ASP A 88 1.837 14.015 -1.542 1.00 0.00 C ATOM 991 O ASP A 88 2.998 13.874 -1.931 1.00 0.00 O ATOM 992 CB ASP A 88 0.855 16.306 -1.627 1.00 0.00 C ATOM 993 CG ASP A 88 0.202 17.444 -0.871 1.00 0.00 C ATOM 994 OD1 ASP A 88 -0.961 17.296 -0.449 1.00 0.00 O ATOM 995 OD2 ASP A 88 0.849 18.501 -0.702 1.00 0.00 O ATOM 0 H ASP A 88 3.029 16.546 -0.370 1.00 0.00 H new ATOM 0 HA ASP A 88 0.673 14.918 0.012 1.00 0.00 H new ATOM 0 HB2 ASP A 88 1.652 16.705 -2.254 1.00 0.00 H new ATOM 0 HB3 ASP A 88 0.121 15.852 -2.293 1.00 0.00 H new ATOM 1000 N PRO A 89 0.875 13.123 -1.816 1.00 0.00 N ATOM 1001 CA PRO A 89 1.075 11.948 -2.647 1.00 0.00 C ATOM 1002 C PRO A 89 0.810 12.241 -4.124 1.00 0.00 C ATOM 1003 O PRO A 89 -0.289 12.650 -4.503 1.00 0.00 O ATOM 1004 CB PRO A 89 0.048 10.948 -2.102 1.00 0.00 C ATOM 1005 CG PRO A 89 -0.883 11.730 -1.224 1.00 0.00 C ATOM 1006 CD PRO A 89 -0.499 13.181 -1.329 1.00 0.00 C ATOM 0 HA PRO A 89 2.101 11.584 -2.606 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -0.497 10.469 -2.916 1.00 0.00 H new ATOM 0 HB3 PRO A 89 0.540 10.156 -1.538 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -1.917 11.584 -1.537 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -0.812 11.389 -0.191 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -1.149 13.721 -2.017 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -0.565 13.687 -0.366 1.00 0.00 H new ATOM 1014 N LEU A 90 1.824 12.014 -4.946 1.00 0.00 N ATOM 1015 CA LEU A 90 1.749 12.289 -6.373 1.00 0.00 C ATOM 1016 C LEU A 90 0.986 11.200 -7.108 1.00 0.00 C ATOM 1017 O LEU A 90 0.181 11.481 -7.994 1.00 0.00 O ATOM 1018 CB LEU A 90 3.157 12.398 -6.964 1.00 0.00 C ATOM 1019 CG LEU A 90 3.972 13.608 -6.513 1.00 0.00 C ATOM 1020 CD1 LEU A 90 5.390 13.531 -7.065 1.00 0.00 C ATOM 1021 CD2 LEU A 90 3.300 14.894 -6.963 1.00 0.00 C ATOM 0 H LEU A 90 2.721 11.634 -4.643 1.00 0.00 H new ATOM 0 HA LEU A 90 1.218 13.233 -6.498 1.00 0.00 H new ATOM 0 HB2 LEU A 90 3.710 11.494 -6.707 1.00 0.00 H new ATOM 0 HB3 LEU A 90 3.074 12.423 -8.051 1.00 0.00 H new ATOM 0 HG LEU A 90 4.024 13.604 -5.424 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.957 14.401 -6.734 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.873 12.624 -6.702 1.00 0.00 H new ATOM 0 HD13 LEU A 90 5.356 13.513 -8.154 1.00 0.00 H new ATOM 0 HD21 LEU A 90 3.892 15.748 -6.634 1.00 0.00 H new ATOM 0 HD22 LEU A 90 3.222 14.903 -8.050 1.00 0.00 H new ATOM 0 HD23 LEU A 90 2.303 14.955 -6.528 1.00 0.00 H new ATOM 1033 N SER A 91 1.252 9.956 -6.745 1.00 0.00 N ATOM 1034 CA SER A 91 0.673 8.827 -7.445 1.00 0.00 C ATOM 1035 C SER A 91 0.446 7.657 -6.500 1.00 0.00 C ATOM 1036 O SER A 91 1.241 7.417 -5.586 1.00 0.00 O ATOM 1037 CB SER A 91 1.577 8.410 -8.606 1.00 0.00 C ATOM 1038 OG SER A 91 1.688 9.460 -9.553 1.00 0.00 O ATOM 0 H SER A 91 1.865 9.705 -5.970 1.00 0.00 H new ATOM 0 HA SER A 91 -0.296 9.130 -7.842 1.00 0.00 H new ATOM 0 HB2 SER A 91 2.565 8.147 -8.229 1.00 0.00 H new ATOM 0 HB3 SER A 91 1.173 7.520 -9.088 1.00 0.00 H new ATOM 0 HG SER A 91 0.802 9.666 -9.918 1.00 0.00 H new ATOM 1044 N LEU A 92 -0.647 6.944 -6.728 1.00 0.00 N ATOM 1045 CA LEU A 92 -1.001 5.784 -5.927 1.00 0.00 C ATOM 1046 C LEU A 92 -1.624 4.736 -6.841 1.00 0.00 C ATOM 1047 O LEU A 92 -2.586 5.025 -7.552 1.00 0.00 O ATOM 1048 CB LEU A 92 -2.003 6.184 -4.836 1.00 0.00 C ATOM 1049 CG LEU A 92 -1.856 5.478 -3.481 1.00 0.00 C ATOM 1050 CD1 LEU A 92 -2.965 5.917 -2.537 1.00 0.00 C ATOM 1051 CD2 LEU A 92 -1.863 3.965 -3.630 1.00 0.00 C ATOM 0 H LEU A 92 -1.312 7.154 -7.473 1.00 0.00 H new ATOM 0 HA LEU A 92 -0.109 5.380 -5.448 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.919 7.258 -4.672 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -3.009 5.997 -5.211 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.891 5.765 -3.062 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -2.850 5.409 -1.579 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -2.908 6.995 -2.385 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -3.933 5.662 -2.969 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -1.757 3.502 -2.649 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -2.803 3.648 -4.081 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -1.034 3.658 -4.267 1.00 0.00 H new ATOM 1063 N GLY A 93 -1.070 3.536 -6.839 1.00 0.00 N ATOM 1064 CA GLY A 93 -1.585 2.485 -7.697 1.00 0.00 C ATOM 1065 C GLY A 93 -0.618 1.327 -7.801 1.00 0.00 C ATOM 1066 O GLY A 93 -0.167 0.816 -6.782 1.00 0.00 O ATOM 0 H GLY A 93 -0.274 3.268 -6.261 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.538 2.130 -7.306 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -1.779 2.888 -8.691 1.00 0.00 H new ATOM 1070 N PRO A 94 -0.282 0.881 -9.017 1.00 0.00 N ATOM 1071 CA PRO A 94 0.708 -0.168 -9.222 1.00 0.00 C ATOM 1072 C PRO A 94 2.129 0.387 -9.358 1.00 0.00 C ATOM 1073 O PRO A 94 2.344 1.428 -9.983 1.00 0.00 O ATOM 1074 CB PRO A 94 0.246 -0.803 -10.530 1.00 0.00 C ATOM 1075 CG PRO A 94 -0.382 0.315 -11.301 1.00 0.00 C ATOM 1076 CD PRO A 94 -0.858 1.342 -10.294 1.00 0.00 C ATOM 0 HA PRO A 94 0.765 -0.862 -8.383 1.00 0.00 H new ATOM 0 HB2 PRO A 94 1.084 -1.237 -11.076 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -0.467 -1.607 -10.348 1.00 0.00 H new ATOM 0 HG2 PRO A 94 0.336 0.757 -11.991 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -1.216 -0.052 -11.900 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -0.511 2.343 -10.550 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -1.946 1.383 -10.250 1.00 0.00 H new ATOM 1084 N PHE A 95 3.090 -0.300 -8.757 1.00 0.00 N ATOM 1085 CA PHE A 95 4.492 0.068 -8.876 1.00 0.00 C ATOM 1086 C PHE A 95 5.313 -1.177 -9.173 1.00 0.00 C ATOM 1087 O PHE A 95 5.518 -2.012 -8.287 1.00 0.00 O ATOM 1088 CB PHE A 95 4.985 0.731 -7.586 1.00 0.00 C ATOM 1089 CG PHE A 95 6.357 1.341 -7.693 1.00 0.00 C ATOM 1090 CD1 PHE A 95 6.524 2.597 -8.255 1.00 0.00 C ATOM 1091 CD2 PHE A 95 7.475 0.666 -7.226 1.00 0.00 C ATOM 1092 CE1 PHE A 95 7.781 3.166 -8.352 1.00 0.00 C ATOM 1093 CE2 PHE A 95 8.733 1.230 -7.322 1.00 0.00 C ATOM 1094 CZ PHE A 95 8.886 2.482 -7.885 1.00 0.00 C ATOM 0 H PHE A 95 2.921 -1.122 -8.177 1.00 0.00 H new ATOM 0 HA PHE A 95 4.606 0.783 -9.691 1.00 0.00 H new ATOM 0 HB2 PHE A 95 4.276 1.506 -7.295 1.00 0.00 H new ATOM 0 HB3 PHE A 95 4.991 -0.011 -6.788 1.00 0.00 H new ATOM 0 HD1 PHE A 95 5.663 3.137 -8.621 1.00 0.00 H new ATOM 0 HD2 PHE A 95 7.361 -0.312 -6.782 1.00 0.00 H new ATOM 0 HE1 PHE A 95 7.898 4.145 -8.793 1.00 0.00 H new ATOM 0 HE2 PHE A 95 9.596 0.692 -6.957 1.00 0.00 H new ATOM 0 HZ PHE A 95 9.868 2.925 -7.960 1.00 0.00 H new ATOM 1104 N LEU A 96 5.758 -1.299 -10.422 1.00 0.00 N ATOM 1105 CA LEU A 96 6.514 -2.465 -10.883 1.00 0.00 C ATOM 1106 C LEU A 96 5.638 -3.719 -10.922 1.00 0.00 C ATOM 1107 O LEU A 96 4.545 -3.764 -10.351 1.00 0.00 O ATOM 1108 CB LEU A 96 7.744 -2.719 -9.999 1.00 0.00 C ATOM 1109 CG LEU A 96 8.772 -1.584 -9.957 1.00 0.00 C ATOM 1110 CD1 LEU A 96 9.929 -1.953 -9.040 1.00 0.00 C ATOM 1111 CD2 LEU A 96 9.280 -1.265 -11.357 1.00 0.00 C ATOM 0 H LEU A 96 5.606 -0.594 -11.143 1.00 0.00 H new ATOM 0 HA LEU A 96 6.851 -2.244 -11.896 1.00 0.00 H new ATOM 0 HB2 LEU A 96 7.404 -2.916 -8.982 1.00 0.00 H new ATOM 0 HB3 LEU A 96 8.241 -3.623 -10.350 1.00 0.00 H new ATOM 0 HG LEU A 96 8.285 -0.693 -9.561 1.00 0.00 H new ATOM 0 HD11 LEU A 96 10.652 -1.137 -9.020 1.00 0.00 H new ATOM 0 HD12 LEU A 96 9.553 -2.129 -8.032 1.00 0.00 H new ATOM 0 HD13 LEU A 96 10.413 -2.857 -9.410 1.00 0.00 H new ATOM 0 HD21 LEU A 96 10.009 -0.456 -11.304 1.00 0.00 H new ATOM 0 HD22 LEU A 96 9.751 -2.151 -11.784 1.00 0.00 H new ATOM 0 HD23 LEU A 96 8.444 -0.960 -11.986 1.00 0.00 H new ATOM 1123 N LYS A 97 6.119 -4.731 -11.618 1.00 0.00 N ATOM 1124 CA LYS A 97 5.448 -6.017 -11.669 1.00 0.00 C ATOM 1125 C LYS A 97 6.421 -7.108 -11.243 1.00 0.00 C ATOM 1126 O LYS A 97 6.895 -7.898 -12.060 1.00 0.00 O ATOM 1127 CB LYS A 97 4.891 -6.297 -13.073 1.00 0.00 C ATOM 1128 CG LYS A 97 3.718 -5.402 -13.456 1.00 0.00 C ATOM 1129 CD LYS A 97 3.158 -5.758 -14.826 1.00 0.00 C ATOM 1130 CE LYS A 97 4.118 -5.385 -15.944 1.00 0.00 C ATOM 1131 NZ LYS A 97 4.302 -3.912 -16.049 1.00 0.00 N ATOM 0 H LYS A 97 6.981 -4.687 -12.161 1.00 0.00 H new ATOM 0 HA LYS A 97 4.601 -6.002 -10.983 1.00 0.00 H new ATOM 0 HB2 LYS A 97 5.689 -6.167 -13.804 1.00 0.00 H new ATOM 0 HB3 LYS A 97 4.575 -7.339 -13.128 1.00 0.00 H new ATOM 0 HG2 LYS A 97 2.931 -5.494 -12.707 1.00 0.00 H new ATOM 0 HG3 LYS A 97 4.040 -4.361 -13.454 1.00 0.00 H new ATOM 0 HD2 LYS A 97 2.951 -6.827 -14.867 1.00 0.00 H new ATOM 0 HD3 LYS A 97 2.209 -5.243 -14.975 1.00 0.00 H new ATOM 0 HE2 LYS A 97 5.083 -5.860 -15.767 1.00 0.00 H new ATOM 0 HE3 LYS A 97 3.741 -5.772 -16.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 4.732 -3.680 -16.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 3.378 -3.440 -15.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 4.924 -3.584 -15.283 1.00 0.00 H new ATOM 1144 N THR A 98 6.723 -7.126 -9.954 1.00 0.00 N ATOM 1145 CA THR A 98 7.678 -8.069 -9.395 1.00 0.00 C ATOM 1146 C THR A 98 7.057 -9.451 -9.208 1.00 0.00 C ATOM 1147 O THR A 98 7.768 -10.456 -9.167 1.00 0.00 O ATOM 1148 CB THR A 98 8.203 -7.559 -8.041 1.00 0.00 C ATOM 1149 OG1 THR A 98 7.109 -7.070 -7.252 1.00 0.00 O ATOM 1150 CG2 THR A 98 9.237 -6.453 -8.227 1.00 0.00 C ATOM 0 H THR A 98 6.315 -6.490 -9.269 1.00 0.00 H new ATOM 0 HA THR A 98 8.504 -8.154 -10.101 1.00 0.00 H new ATOM 0 HB THR A 98 8.686 -8.392 -7.529 1.00 0.00 H new ATOM 0 HG1 THR A 98 7.371 -7.048 -6.308 1.00 0.00 H new ATOM 0 HG21 THR A 98 9.588 -6.115 -7.252 1.00 0.00 H new ATOM 0 HG22 THR A 98 10.080 -6.836 -8.803 1.00 0.00 H new ATOM 0 HG23 THR A 98 8.784 -5.617 -8.759 1.00 0.00 H new ATOM 1158 N TYR A 99 5.728 -9.487 -9.112 1.00 0.00 N ATOM 1159 CA TYR A 99 4.995 -10.729 -8.854 1.00 0.00 C ATOM 1160 C TYR A 99 5.471 -11.367 -7.552 1.00 0.00 C ATOM 1161 O TYR A 99 6.097 -12.433 -7.556 1.00 0.00 O ATOM 1162 CB TYR A 99 5.154 -11.729 -10.009 1.00 0.00 C ATOM 1163 CG TYR A 99 4.566 -11.265 -11.325 1.00 0.00 C ATOM 1164 CD1 TYR A 99 3.238 -11.525 -11.651 1.00 0.00 C ATOM 1165 CD2 TYR A 99 5.341 -10.570 -12.243 1.00 0.00 C ATOM 1166 CE1 TYR A 99 2.706 -11.108 -12.858 1.00 0.00 C ATOM 1167 CE2 TYR A 99 4.817 -10.152 -13.449 1.00 0.00 C ATOM 1168 CZ TYR A 99 3.502 -10.418 -13.752 1.00 0.00 C ATOM 1169 OH TYR A 99 2.986 -10.003 -14.959 1.00 0.00 O ATOM 0 H TYR A 99 5.132 -8.665 -9.210 1.00 0.00 H new ATOM 0 HA TYR A 99 3.939 -10.474 -8.768 1.00 0.00 H new ATOM 0 HB2 TYR A 99 6.215 -11.935 -10.152 1.00 0.00 H new ATOM 0 HB3 TYR A 99 4.682 -12.670 -9.726 1.00 0.00 H new ATOM 0 HD1 TYR A 99 2.614 -12.060 -10.951 1.00 0.00 H new ATOM 0 HD2 TYR A 99 6.373 -10.352 -12.009 1.00 0.00 H new ATOM 0 HE1 TYR A 99 1.675 -11.320 -13.100 1.00 0.00 H new ATOM 0 HE2 TYR A 99 5.438 -9.618 -14.153 1.00 0.00 H new ATOM 0 HH TYR A 99 3.679 -9.532 -15.466 1.00 0.00 H new ATOM 1179 N THR A 100 5.188 -10.699 -6.443 1.00 0.00 N ATOM 1180 CA THR A 100 5.533 -11.202 -5.123 1.00 0.00 C ATOM 1181 C THR A 100 4.270 -11.422 -4.281 1.00 0.00 C ATOM 1182 O THR A 100 4.068 -10.764 -3.257 1.00 0.00 O ATOM 1183 CB THR A 100 6.477 -10.213 -4.409 1.00 0.00 C ATOM 1184 OG1 THR A 100 5.938 -8.883 -4.476 1.00 0.00 O ATOM 1185 CG2 THR A 100 7.860 -10.225 -5.045 1.00 0.00 C ATOM 0 H THR A 100 4.714 -9.796 -6.434 1.00 0.00 H new ATOM 0 HA THR A 100 6.042 -12.159 -5.241 1.00 0.00 H new ATOM 0 HB THR A 100 6.565 -10.524 -3.368 1.00 0.00 H new ATOM 0 HG1 THR A 100 5.055 -8.866 -4.051 1.00 0.00 H new ATOM 0 HG21 THR A 100 8.506 -9.519 -4.523 1.00 0.00 H new ATOM 0 HG22 THR A 100 8.284 -11.227 -4.974 1.00 0.00 H new ATOM 0 HG23 THR A 100 7.781 -9.938 -6.093 1.00 0.00 H new ATOM 1193 N PRO A 101 3.406 -12.377 -4.684 1.00 0.00 N ATOM 1194 CA PRO A 101 2.084 -12.564 -4.079 1.00 0.00 C ATOM 1195 C PRO A 101 2.165 -13.144 -2.675 1.00 0.00 C ATOM 1196 O PRO A 101 1.292 -12.912 -1.845 1.00 0.00 O ATOM 1197 CB PRO A 101 1.378 -13.548 -5.027 1.00 0.00 C ATOM 1198 CG PRO A 101 2.265 -13.663 -6.223 1.00 0.00 C ATOM 1199 CD PRO A 101 3.650 -13.375 -5.731 1.00 0.00 C ATOM 0 HA PRO A 101 1.558 -11.616 -3.966 1.00 0.00 H new ATOM 0 HB2 PRO A 101 1.236 -14.518 -4.550 1.00 0.00 H new ATOM 0 HB3 PRO A 101 0.390 -13.182 -5.306 1.00 0.00 H new ATOM 0 HG2 PRO A 101 2.205 -14.659 -6.661 1.00 0.00 H new ATOM 0 HG3 PRO A 101 1.970 -12.956 -6.998 1.00 0.00 H new ATOM 0 HD2 PRO A 101 4.136 -14.268 -5.337 1.00 0.00 H new ATOM 0 HD3 PRO A 101 4.291 -12.986 -6.523 1.00 0.00 H new ATOM 1207 N GLN A 102 3.230 -13.879 -2.405 1.00 0.00 N ATOM 1208 CA GLN A 102 3.393 -14.528 -1.113 1.00 0.00 C ATOM 1209 C GLN A 102 3.894 -13.535 -0.073 1.00 0.00 C ATOM 1210 O GLN A 102 3.857 -13.800 1.126 1.00 0.00 O ATOM 1211 CB GLN A 102 4.355 -15.712 -1.213 1.00 0.00 C ATOM 1212 CG GLN A 102 3.765 -16.961 -1.859 1.00 0.00 C ATOM 1213 CD GLN A 102 3.318 -16.764 -3.295 1.00 0.00 C ATOM 1214 OE1 GLN A 102 4.106 -16.920 -4.227 1.00 0.00 O ATOM 1215 NE2 GLN A 102 2.047 -16.446 -3.486 1.00 0.00 N ATOM 0 H GLN A 102 3.994 -14.042 -3.061 1.00 0.00 H new ATOM 0 HA GLN A 102 2.417 -14.901 -0.801 1.00 0.00 H new ATOM 0 HB2 GLN A 102 5.231 -15.404 -1.784 1.00 0.00 H new ATOM 0 HB3 GLN A 102 4.701 -15.967 -0.211 1.00 0.00 H new ATOM 0 HG2 GLN A 102 4.507 -17.759 -1.827 1.00 0.00 H new ATOM 0 HG3 GLN A 102 2.913 -17.295 -1.267 1.00 0.00 H new ATOM 0 HE21 GLN A 102 1.426 -16.326 -2.686 1.00 0.00 H new ATOM 0 HE22 GLN A 102 1.689 -16.322 -4.433 1.00 0.00 H new ATOM 1224 N SER A 103 4.372 -12.394 -0.541 1.00 0.00 N ATOM 1225 CA SER A 103 4.837 -11.342 0.346 1.00 0.00 C ATOM 1226 C SER A 103 3.788 -10.237 0.446 1.00 0.00 C ATOM 1227 O SER A 103 3.900 -9.323 1.268 1.00 0.00 O ATOM 1228 CB SER A 103 6.157 -10.775 -0.173 1.00 0.00 C ATOM 1229 OG SER A 103 7.103 -11.810 -0.390 1.00 0.00 O ATOM 0 H SER A 103 4.448 -12.173 -1.534 1.00 0.00 H new ATOM 0 HA SER A 103 4.998 -11.758 1.340 1.00 0.00 H new ATOM 0 HB2 SER A 103 5.984 -10.234 -1.103 1.00 0.00 H new ATOM 0 HB3 SER A 103 6.556 -10.057 0.544 1.00 0.00 H new ATOM 0 HG SER A 103 7.940 -11.424 -0.724 1.00 0.00 H new ATOM 1235 N SER A 104 2.759 -10.337 -0.381 1.00 0.00 N ATOM 1236 CA SER A 104 1.741 -9.307 -0.451 1.00 0.00 C ATOM 1237 C SER A 104 0.375 -9.844 -0.030 1.00 0.00 C ATOM 1238 O SER A 104 0.186 -11.052 0.138 1.00 0.00 O ATOM 1239 CB SER A 104 1.686 -8.737 -1.871 1.00 0.00 C ATOM 1240 OG SER A 104 1.601 -9.772 -2.831 1.00 0.00 O ATOM 0 H SER A 104 2.609 -11.123 -1.013 1.00 0.00 H new ATOM 0 HA SER A 104 2.005 -8.511 0.245 1.00 0.00 H new ATOM 0 HB2 SER A 104 0.825 -8.075 -1.968 1.00 0.00 H new ATOM 0 HB3 SER A 104 2.574 -8.134 -2.059 1.00 0.00 H new ATOM 0 HG SER A 104 2.500 -9.998 -3.149 1.00 0.00 H new ATOM 1246 N ILE A 105 -0.567 -8.936 0.167 1.00 0.00 N ATOM 1247 CA ILE A 105 -1.917 -9.301 0.558 1.00 0.00 C ATOM 1248 C ILE A 105 -2.945 -8.669 -0.369 1.00 0.00 C ATOM 1249 O ILE A 105 -2.739 -7.572 -0.897 1.00 0.00 O ATOM 1250 CB ILE A 105 -2.238 -8.859 2.005 1.00 0.00 C ATOM 1251 CG1 ILE A 105 -1.920 -7.368 2.184 1.00 0.00 C ATOM 1252 CG2 ILE A 105 -1.480 -9.708 3.015 1.00 0.00 C ATOM 1253 CD1 ILE A 105 -2.316 -6.796 3.528 1.00 0.00 C ATOM 0 H ILE A 105 -0.418 -7.932 0.061 1.00 0.00 H new ATOM 0 HA ILE A 105 -1.970 -10.388 0.493 1.00 0.00 H new ATOM 0 HB ILE A 105 -3.303 -9.008 2.186 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -0.850 -7.219 2.041 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -2.428 -6.805 1.401 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -1.723 -9.377 4.024 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -1.765 -10.754 2.898 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -0.408 -9.603 2.847 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -2.054 -5.739 3.565 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -3.391 -6.909 3.669 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -1.789 -7.328 4.320 1.00 0.00 H new ATOM 1265 N ILE A 106 -4.044 -9.372 -0.565 1.00 0.00 N ATOM 1266 CA ILE A 106 -5.204 -8.811 -1.233 1.00 0.00 C ATOM 1267 C ILE A 106 -6.257 -8.527 -0.176 1.00 0.00 C ATOM 1268 O ILE A 106 -6.830 -9.446 0.408 1.00 0.00 O ATOM 1269 CB ILE A 106 -5.777 -9.755 -2.320 1.00 0.00 C ATOM 1270 CG1 ILE A 106 -4.831 -9.821 -3.521 1.00 0.00 C ATOM 1271 CG2 ILE A 106 -7.163 -9.296 -2.761 1.00 0.00 C ATOM 1272 CD1 ILE A 106 -5.250 -10.828 -4.573 1.00 0.00 C ATOM 0 H ILE A 106 -4.158 -10.341 -0.268 1.00 0.00 H new ATOM 0 HA ILE A 106 -4.906 -7.897 -1.747 1.00 0.00 H new ATOM 0 HB ILE A 106 -5.868 -10.753 -1.891 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -4.771 -8.834 -3.979 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -3.830 -10.071 -3.170 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -7.545 -9.974 -3.524 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -7.837 -9.298 -1.904 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -7.099 -8.288 -3.170 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -4.532 -10.818 -5.393 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -5.282 -11.824 -4.131 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -6.238 -10.568 -4.953 1.00 0.00 H new ATOM 1284 N CYS A 107 -6.475 -7.260 0.104 1.00 0.00 N ATOM 1285 CA CYS A 107 -7.349 -6.880 1.197 1.00 0.00 C ATOM 1286 C CYS A 107 -8.689 -6.376 0.674 1.00 0.00 C ATOM 1287 O CYS A 107 -8.797 -5.925 -0.468 1.00 0.00 O ATOM 1288 CB CYS A 107 -6.671 -5.823 2.075 1.00 0.00 C ATOM 1289 SG CYS A 107 -7.335 -5.745 3.770 1.00 0.00 S ATOM 0 H CYS A 107 -6.063 -6.479 -0.406 1.00 0.00 H new ATOM 0 HA CYS A 107 -7.542 -7.763 1.807 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -5.602 -6.033 2.122 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -6.783 -4.846 1.605 1.00 0.00 H new ATOM 1294 N TYR A 108 -9.711 -6.476 1.511 1.00 0.00 N ATOM 1295 CA TYR A 108 -11.057 -6.079 1.139 1.00 0.00 C ATOM 1296 C TYR A 108 -11.602 -5.063 2.141 1.00 0.00 C ATOM 1297 O TYR A 108 -10.912 -4.695 3.093 1.00 0.00 O ATOM 1298 CB TYR A 108 -11.972 -7.305 1.063 1.00 0.00 C ATOM 1299 CG TYR A 108 -11.544 -8.319 0.022 1.00 0.00 C ATOM 1300 CD1 TYR A 108 -11.823 -8.118 -1.324 1.00 0.00 C ATOM 1301 CD2 TYR A 108 -10.860 -9.475 0.386 1.00 0.00 C ATOM 1302 CE1 TYR A 108 -11.434 -9.038 -2.279 1.00 0.00 C ATOM 1303 CE2 TYR A 108 -10.467 -10.399 -0.564 1.00 0.00 C ATOM 1304 CZ TYR A 108 -10.758 -10.177 -1.893 1.00 0.00 C ATOM 1305 OH TYR A 108 -10.372 -11.097 -2.843 1.00 0.00 O ATOM 0 H TYR A 108 -9.629 -6.833 2.463 1.00 0.00 H new ATOM 0 HA TYR A 108 -11.026 -5.612 0.154 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -11.999 -7.789 2.039 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -12.988 -6.977 0.842 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -12.353 -7.228 -1.629 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -10.633 -9.653 1.427 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -11.658 -8.866 -3.321 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -9.935 -11.290 -0.267 1.00 0.00 H new ATOM 0 HH TYR A 108 -9.906 -11.841 -2.408 1.00 0.00 H new ATOM 1315 N GLY A 109 -12.833 -4.618 1.928 1.00 0.00 N ATOM 1316 CA GLY A 109 -13.417 -3.610 2.790 1.00 0.00 C ATOM 1317 C GLY A 109 -13.412 -2.242 2.142 1.00 0.00 C ATOM 1318 O GLY A 109 -13.829 -2.092 0.989 1.00 0.00 O ATOM 0 H GLY A 109 -13.439 -4.938 1.172 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -14.441 -3.892 3.036 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -12.863 -3.569 3.728 1.00 0.00 H new ATOM 1322 N GLN A 110 -12.938 -1.246 2.875 1.00 0.00 N ATOM 1323 CA GLN A 110 -12.864 0.115 2.368 1.00 0.00 C ATOM 1324 C GLN A 110 -11.406 0.510 2.163 1.00 0.00 C ATOM 1325 O GLN A 110 -10.526 0.042 2.883 1.00 0.00 O ATOM 1326 CB GLN A 110 -13.551 1.079 3.344 1.00 0.00 C ATOM 1327 CG GLN A 110 -13.570 2.528 2.872 1.00 0.00 C ATOM 1328 CD GLN A 110 -14.284 2.703 1.545 1.00 0.00 C ATOM 1329 OE1 GLN A 110 -13.672 2.601 0.478 1.00 0.00 O ATOM 1330 NE2 GLN A 110 -15.576 2.982 1.598 1.00 0.00 N ATOM 0 H GLN A 110 -12.597 -1.357 3.830 1.00 0.00 H new ATOM 0 HA GLN A 110 -13.380 0.170 1.409 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -14.576 0.747 3.506 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -13.043 1.028 4.307 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -14.058 3.145 3.626 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -12.546 2.889 2.779 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -16.045 3.058 2.501 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -16.103 3.121 0.736 1.00 0.00 H new ATOM 1339 N LEU A 111 -11.166 1.363 1.170 1.00 0.00 N ATOM 1340 CA LEU A 111 -9.821 1.823 0.834 1.00 0.00 C ATOM 1341 C LEU A 111 -9.130 2.425 2.055 1.00 0.00 C ATOM 1342 O LEU A 111 -9.483 3.516 2.508 1.00 0.00 O ATOM 1343 CB LEU A 111 -9.897 2.862 -0.292 1.00 0.00 C ATOM 1344 CG LEU A 111 -8.561 3.475 -0.727 1.00 0.00 C ATOM 1345 CD1 LEU A 111 -7.651 2.433 -1.362 1.00 0.00 C ATOM 1346 CD2 LEU A 111 -8.798 4.627 -1.690 1.00 0.00 C ATOM 0 H LEU A 111 -11.897 1.754 0.576 1.00 0.00 H new ATOM 0 HA LEU A 111 -9.235 0.967 0.499 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -10.361 2.395 -1.161 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -10.558 3.668 0.027 1.00 0.00 H new ATOM 0 HG LEU A 111 -8.062 3.855 0.164 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -6.713 2.902 -1.659 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -7.449 1.640 -0.642 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -8.139 2.010 -2.240 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -7.841 5.053 -1.991 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -9.325 4.262 -2.571 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -9.398 5.394 -1.200 1.00 0.00 H new ATOM 1358 N GLY A 112 -8.154 1.704 2.589 1.00 0.00 N ATOM 1359 CA GLY A 112 -7.438 2.172 3.758 1.00 0.00 C ATOM 1360 C GLY A 112 -7.675 1.298 4.973 1.00 0.00 C ATOM 1361 O GLY A 112 -7.023 1.470 6.004 1.00 0.00 O ATOM 0 H GLY A 112 -7.845 0.800 2.232 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -6.371 2.202 3.539 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -7.745 3.193 3.984 1.00 0.00 H new ATOM 1365 N SER A 113 -8.614 0.368 4.857 1.00 0.00 N ATOM 1366 CA SER A 113 -8.916 -0.547 5.942 1.00 0.00 C ATOM 1367 C SER A 113 -8.247 -1.897 5.699 1.00 0.00 C ATOM 1368 O SER A 113 -8.577 -2.610 4.752 1.00 0.00 O ATOM 1369 CB SER A 113 -10.432 -0.715 6.086 1.00 0.00 C ATOM 1370 OG SER A 113 -10.764 -1.523 7.207 1.00 0.00 O ATOM 0 H SER A 113 -9.179 0.230 4.019 1.00 0.00 H new ATOM 0 HA SER A 113 -8.524 -0.132 6.870 1.00 0.00 H new ATOM 0 HB2 SER A 113 -10.899 0.264 6.191 1.00 0.00 H new ATOM 0 HB3 SER A 113 -10.837 -1.165 5.180 1.00 0.00 H new ATOM 0 HG SER A 113 -11.738 -1.609 7.271 1.00 0.00 H new ATOM 1376 N PHE A 114 -7.304 -2.233 6.563 1.00 0.00 N ATOM 1377 CA PHE A 114 -6.587 -3.495 6.482 1.00 0.00 C ATOM 1378 C PHE A 114 -7.157 -4.457 7.518 1.00 0.00 C ATOM 1379 O PHE A 114 -6.429 -5.153 8.227 1.00 0.00 O ATOM 1380 CB PHE A 114 -5.091 -3.271 6.727 1.00 0.00 C ATOM 1381 CG PHE A 114 -4.445 -2.348 5.728 1.00 0.00 C ATOM 1382 CD1 PHE A 114 -3.897 -2.851 4.560 1.00 0.00 C ATOM 1383 CD2 PHE A 114 -4.386 -0.980 5.959 1.00 0.00 C ATOM 1384 CE1 PHE A 114 -3.303 -2.007 3.642 1.00 0.00 C ATOM 1385 CE2 PHE A 114 -3.794 -0.135 5.042 1.00 0.00 C ATOM 1386 CZ PHE A 114 -3.249 -0.649 3.883 1.00 0.00 C ATOM 0 H PHE A 114 -7.014 -1.639 7.340 1.00 0.00 H new ATOM 0 HA PHE A 114 -6.708 -3.921 5.486 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -4.953 -2.862 7.728 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -4.580 -4.233 6.703 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -3.934 -3.913 4.365 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -4.808 -0.573 6.866 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -2.880 -2.410 2.734 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -3.757 0.928 5.231 1.00 0.00 H new ATOM 0 HZ PHE A 114 -2.781 0.010 3.166 1.00 0.00 H new ATOM 1396 N SER A 115 -8.475 -4.466 7.611 1.00 0.00 N ATOM 1397 CA SER A 115 -9.164 -5.240 8.631 1.00 0.00 C ATOM 1398 C SER A 115 -9.782 -6.509 8.043 1.00 0.00 C ATOM 1399 O SER A 115 -10.635 -7.139 8.669 1.00 0.00 O ATOM 1400 CB SER A 115 -10.251 -4.375 9.272 1.00 0.00 C ATOM 1401 OG SER A 115 -9.728 -3.115 9.667 1.00 0.00 O ATOM 0 H SER A 115 -9.093 -3.944 6.990 1.00 0.00 H new ATOM 0 HA SER A 115 -8.439 -5.543 9.386 1.00 0.00 H new ATOM 0 HB2 SER A 115 -11.069 -4.229 8.566 1.00 0.00 H new ATOM 0 HB3 SER A 115 -10.666 -4.889 10.139 1.00 0.00 H new ATOM 0 HG SER A 115 -9.926 -2.448 8.977 1.00 0.00 H new ATOM 1407 N ASN A 116 -9.358 -6.869 6.837 1.00 0.00 N ATOM 1408 CA ASN A 116 -9.861 -8.062 6.161 1.00 0.00 C ATOM 1409 C ASN A 116 -9.035 -8.332 4.910 1.00 0.00 C ATOM 1410 O ASN A 116 -9.440 -8.004 3.797 1.00 0.00 O ATOM 1411 CB ASN A 116 -11.340 -7.894 5.792 1.00 0.00 C ATOM 1412 CG ASN A 116 -11.951 -9.159 5.216 1.00 0.00 C ATOM 1413 OD1 ASN A 116 -11.966 -9.359 4.000 1.00 0.00 O ATOM 1414 ND2 ASN A 116 -12.459 -10.023 6.079 1.00 0.00 N ATOM 0 H ASN A 116 -8.662 -6.348 6.303 1.00 0.00 H new ATOM 0 HA ASN A 116 -9.773 -8.910 6.840 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -11.899 -7.597 6.679 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -11.439 -7.086 5.067 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -12.881 -10.889 5.745 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -12.428 -9.823 7.079 1.00 0.00 H new ATOM 1421 N CYS A 117 -7.865 -8.916 5.098 1.00 0.00 N ATOM 1422 CA CYS A 117 -6.939 -9.113 3.994 1.00 0.00 C ATOM 1423 C CYS A 117 -6.600 -10.593 3.841 1.00 0.00 C ATOM 1424 O CYS A 117 -6.650 -11.350 4.813 1.00 0.00 O ATOM 1425 CB CYS A 117 -5.658 -8.305 4.226 1.00 0.00 C ATOM 1426 SG CYS A 117 -5.909 -6.628 4.921 1.00 0.00 S ATOM 0 H CYS A 117 -7.534 -9.261 5.999 1.00 0.00 H new ATOM 0 HA CYS A 117 -7.416 -8.766 3.077 1.00 0.00 H new ATOM 0 HB2 CYS A 117 -5.010 -8.867 4.899 1.00 0.00 H new ATOM 0 HB3 CYS A 117 -5.129 -8.212 3.278 1.00 0.00 H new ATOM 1431 N SER A 118 -6.275 -11.005 2.622 1.00 0.00 N ATOM 1432 CA SER A 118 -5.923 -12.389 2.349 1.00 0.00 C ATOM 1433 C SER A 118 -4.467 -12.512 1.904 1.00 0.00 C ATOM 1434 O SER A 118 -4.003 -11.764 1.038 1.00 0.00 O ATOM 1435 CB SER A 118 -6.844 -12.959 1.267 1.00 0.00 C ATOM 1436 OG SER A 118 -8.205 -12.825 1.636 1.00 0.00 O ATOM 0 H SER A 118 -6.248 -10.396 1.804 1.00 0.00 H new ATOM 0 HA SER A 118 -6.048 -12.957 3.271 1.00 0.00 H new ATOM 0 HB2 SER A 118 -6.667 -12.442 0.324 1.00 0.00 H new ATOM 0 HB3 SER A 118 -6.610 -14.011 1.102 1.00 0.00 H new ATOM 0 HG SER A 118 -8.774 -13.195 0.929 1.00 0.00 H new ATOM 1442 N HIS A 119 -3.755 -13.447 2.518 1.00 0.00 N ATOM 1443 CA HIS A 119 -2.393 -13.778 2.116 1.00 0.00 C ATOM 1444 C HIS A 119 -2.439 -14.519 0.785 1.00 0.00 C ATOM 1445 O HIS A 119 -2.923 -15.649 0.716 1.00 0.00 O ATOM 1446 CB HIS A 119 -1.726 -14.638 3.202 1.00 0.00 C ATOM 1447 CG HIS A 119 -0.316 -15.061 2.896 1.00 0.00 C ATOM 1448 ND1 HIS A 119 0.797 -14.442 3.432 1.00 0.00 N ATOM 1449 CD2 HIS A 119 0.156 -16.075 2.131 1.00 0.00 C ATOM 1450 CE1 HIS A 119 1.887 -15.055 3.010 1.00 0.00 C ATOM 1451 NE2 HIS A 119 1.525 -16.050 2.221 1.00 0.00 N ATOM 0 H HIS A 119 -4.102 -13.995 3.305 1.00 0.00 H new ATOM 0 HA HIS A 119 -1.804 -12.869 1.995 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -1.728 -14.080 4.139 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -2.331 -15.530 3.361 1.00 0.00 H new ATOM 0 HD1 HIS A 119 0.779 -13.636 4.057 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -0.435 -16.773 1.557 1.00 0.00 H new ATOM 0 HE1 HIS A 119 2.902 -14.788 3.266 1.00 0.00 H new ATOM 1459 N SER A 120 -1.944 -13.882 -0.266 1.00 0.00 N ATOM 1460 CA SER A 120 -2.071 -14.428 -1.606 1.00 0.00 C ATOM 1461 C SER A 120 -1.232 -15.691 -1.763 1.00 0.00 C ATOM 1462 O SER A 120 -0.002 -15.651 -1.745 1.00 0.00 O ATOM 1463 CB SER A 120 -1.677 -13.384 -2.655 1.00 0.00 C ATOM 1464 OG SER A 120 -1.887 -13.870 -3.971 1.00 0.00 O ATOM 0 H SER A 120 -1.453 -12.990 -0.216 1.00 0.00 H new ATOM 0 HA SER A 120 -3.116 -14.695 -1.763 1.00 0.00 H new ATOM 0 HB2 SER A 120 -2.260 -12.475 -2.503 1.00 0.00 H new ATOM 0 HB3 SER A 120 -0.628 -13.115 -2.527 1.00 0.00 H new ATOM 0 HG SER A 120 -1.783 -13.136 -4.611 1.00 0.00 H new ATOM 1470 N ARG A 121 -1.915 -16.815 -1.897 1.00 0.00 N ATOM 1471 CA ARG A 121 -1.265 -18.091 -2.138 1.00 0.00 C ATOM 1472 C ARG A 121 -1.278 -18.379 -3.639 1.00 0.00 C ATOM 1473 O ARG A 121 -1.041 -19.502 -4.082 1.00 0.00 O ATOM 1474 CB ARG A 121 -2.009 -19.196 -1.383 1.00 0.00 C ATOM 1475 CG ARG A 121 -1.188 -20.448 -1.104 1.00 0.00 C ATOM 1476 CD ARG A 121 -0.242 -20.259 0.073 1.00 0.00 C ATOM 1477 NE ARG A 121 1.121 -19.929 -0.340 1.00 0.00 N ATOM 1478 CZ ARG A 121 2.102 -19.646 0.516 1.00 0.00 C ATOM 1479 NH1 ARG A 121 1.844 -19.568 1.817 1.00 0.00 N ATOM 1480 NH2 ARG A 121 3.335 -19.444 0.079 1.00 0.00 N ATOM 0 H ARG A 121 -2.932 -16.869 -1.842 1.00 0.00 H new ATOM 0 HA ARG A 121 -0.234 -18.057 -1.785 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -2.363 -18.793 -0.434 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -2.891 -19.478 -1.958 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -1.858 -21.283 -0.900 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -0.613 -20.710 -1.992 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -0.624 -19.466 0.716 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -0.225 -21.171 0.669 1.00 0.00 H new ATOM 0 HE ARG A 121 1.332 -19.915 -1.338 1.00 0.00 H new ATOM 0 HH11 ARG A 121 0.896 -19.725 2.159 1.00 0.00 H new ATOM 0 HH12 ARG A 121 2.594 -19.351 2.474 1.00 0.00 H new ATOM 0 HH21 ARG A 121 3.539 -19.505 -0.919 1.00 0.00 H new ATOM 0 HH22 ARG A 121 4.081 -19.228 0.740 1.00 0.00 H new ATOM 1493 N ASN A 122 -1.556 -17.338 -4.413 1.00 0.00 N ATOM 1494 CA ASN A 122 -1.744 -17.462 -5.853 1.00 0.00 C ATOM 1495 C ASN A 122 -0.478 -17.025 -6.592 1.00 0.00 C ATOM 1496 O ASN A 122 0.504 -16.621 -5.965 1.00 0.00 O ATOM 1497 CB ASN A 122 -2.942 -16.604 -6.275 1.00 0.00 C ATOM 1498 CG ASN A 122 -3.521 -17.012 -7.615 1.00 0.00 C ATOM 1499 OD1 ASN A 122 -3.107 -16.517 -8.663 1.00 0.00 O ATOM 1500 ND2 ASN A 122 -4.484 -17.921 -7.593 1.00 0.00 N ATOM 0 H ASN A 122 -1.657 -16.386 -4.062 1.00 0.00 H new ATOM 0 HA ASN A 122 -1.940 -18.503 -6.110 1.00 0.00 H new ATOM 0 HB2 ASN A 122 -3.719 -16.675 -5.513 1.00 0.00 H new ATOM 0 HB3 ASN A 122 -2.635 -15.559 -6.321 1.00 0.00 H new ATOM 0 HD21 ASN A 122 -4.910 -18.234 -8.465 1.00 0.00 H new ATOM 0 HD22 ASN A 122 -4.800 -18.308 -6.704 1.00 0.00 H new ATOM 1507 N ASP A 123 -0.502 -17.104 -7.917 1.00 0.00 N ATOM 1508 CA ASP A 123 0.664 -16.774 -8.730 1.00 0.00 C ATOM 1509 C ASP A 123 0.368 -15.554 -9.606 1.00 0.00 C ATOM 1510 O ASP A 123 0.569 -15.566 -10.821 1.00 0.00 O ATOM 1511 CB ASP A 123 1.069 -17.985 -9.586 1.00 0.00 C ATOM 1512 CG ASP A 123 2.361 -17.770 -10.356 1.00 0.00 C ATOM 1513 OD1 ASP A 123 3.425 -17.633 -9.718 1.00 0.00 O ATOM 1514 OD2 ASP A 123 2.315 -17.750 -11.607 1.00 0.00 O ATOM 0 H ASP A 123 -1.319 -17.395 -8.454 1.00 0.00 H new ATOM 0 HA ASP A 123 1.499 -16.526 -8.075 1.00 0.00 H new ATOM 0 HB2 ASP A 123 1.179 -18.857 -8.941 1.00 0.00 H new ATOM 0 HB3 ASP A 123 0.267 -18.208 -10.290 1.00 0.00 H new ATOM 1519 N MET A 124 -0.147 -14.505 -8.973 1.00 0.00 N ATOM 1520 CA MET A 124 -0.399 -13.240 -9.654 1.00 0.00 C ATOM 1521 C MET A 124 -0.614 -12.130 -8.631 1.00 0.00 C ATOM 1522 O MET A 124 -1.286 -12.336 -7.619 1.00 0.00 O ATOM 1523 CB MET A 124 -1.618 -13.336 -10.585 1.00 0.00 C ATOM 1524 CG MET A 124 -2.939 -13.544 -9.859 1.00 0.00 C ATOM 1525 SD MET A 124 -4.371 -13.435 -10.952 1.00 0.00 S ATOM 1526 CE MET A 124 -5.700 -13.676 -9.775 1.00 0.00 C ATOM 0 H MET A 124 -0.399 -14.506 -7.985 1.00 0.00 H new ATOM 0 HA MET A 124 0.474 -13.009 -10.264 1.00 0.00 H new ATOM 0 HB2 MET A 124 -1.681 -12.424 -11.178 1.00 0.00 H new ATOM 0 HB3 MET A 124 -1.465 -14.160 -11.282 1.00 0.00 H new ATOM 0 HG2 MET A 124 -2.931 -14.521 -9.376 1.00 0.00 H new ATOM 0 HG3 MET A 124 -3.034 -12.799 -9.069 1.00 0.00 H new ATOM 0 HE1 MET A 124 -6.658 -13.636 -10.294 1.00 0.00 H new ATOM 0 HE2 MET A 124 -5.588 -14.648 -9.294 1.00 0.00 H new ATOM 0 HE3 MET A 124 -5.664 -12.891 -9.020 1.00 0.00 H new ATOM 1536 N CYS A 125 -0.020 -10.967 -8.890 1.00 0.00 N ATOM 1537 CA CYS A 125 -0.185 -9.799 -8.033 1.00 0.00 C ATOM 1538 C CYS A 125 0.645 -8.641 -8.557 1.00 0.00 C ATOM 1539 O CYS A 125 1.745 -8.841 -9.078 1.00 0.00 O ATOM 1540 CB CYS A 125 0.226 -10.102 -6.588 1.00 0.00 C ATOM 1541 SG CYS A 125 0.263 -8.641 -5.494 1.00 0.00 S ATOM 0 H CYS A 125 0.586 -10.810 -9.696 1.00 0.00 H new ATOM 0 HA CYS A 125 -1.241 -9.530 -8.044 1.00 0.00 H new ATOM 0 HB2 CYS A 125 -0.465 -10.835 -6.172 1.00 0.00 H new ATOM 0 HB3 CYS A 125 1.214 -10.563 -6.593 1.00 0.00 H new ATOM 1546 N HIS A 126 0.107 -7.439 -8.441 1.00 0.00 N ATOM 1547 CA HIS A 126 0.847 -6.238 -8.774 1.00 0.00 C ATOM 1548 C HIS A 126 1.092 -5.442 -7.506 1.00 0.00 C ATOM 1549 O HIS A 126 0.149 -5.118 -6.778 1.00 0.00 O ATOM 1550 CB HIS A 126 0.099 -5.385 -9.803 1.00 0.00 C ATOM 1551 CG HIS A 126 0.064 -5.992 -11.172 1.00 0.00 C ATOM 1552 ND1 HIS A 126 -0.745 -5.527 -12.184 1.00 0.00 N ATOM 1553 CD2 HIS A 126 0.751 -7.035 -11.693 1.00 0.00 C ATOM 1554 CE1 HIS A 126 -0.559 -6.258 -13.265 1.00 0.00 C ATOM 1555 NE2 HIS A 126 0.345 -7.180 -12.994 1.00 0.00 N ATOM 0 H HIS A 126 -0.845 -7.271 -8.117 1.00 0.00 H new ATOM 0 HA HIS A 126 1.798 -6.525 -9.221 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -0.923 -5.227 -9.458 1.00 0.00 H new ATOM 0 HB3 HIS A 126 0.571 -4.404 -9.861 1.00 0.00 H new ATOM 0 HD1 HIS A 126 -1.388 -4.739 -12.109 1.00 0.00 H new ATOM 0 HD2 HIS A 126 1.483 -7.640 -11.179 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -1.061 -6.125 -14.212 1.00 0.00 H new ATOM 1563 N SER A 127 2.353 -5.163 -7.232 1.00 0.00 N ATOM 1564 CA SER A 127 2.740 -4.453 -6.031 1.00 0.00 C ATOM 1565 C SER A 127 2.206 -3.025 -6.040 1.00 0.00 C ATOM 1566 O SER A 127 2.413 -2.280 -7.000 1.00 0.00 O ATOM 1567 CB SER A 127 4.261 -4.458 -5.926 1.00 0.00 C ATOM 1568 OG SER A 127 4.853 -4.399 -7.216 1.00 0.00 O ATOM 0 H SER A 127 3.134 -5.422 -7.835 1.00 0.00 H new ATOM 0 HA SER A 127 2.310 -4.954 -5.164 1.00 0.00 H new ATOM 0 HB2 SER A 127 4.592 -3.608 -5.329 1.00 0.00 H new ATOM 0 HB3 SER A 127 4.592 -5.359 -5.409 1.00 0.00 H new ATOM 0 HG SER A 127 5.028 -3.464 -7.453 1.00 0.00 H new ATOM 1574 N LEU A 128 1.507 -2.658 -4.975 1.00 0.00 N ATOM 1575 CA LEU A 128 0.942 -1.325 -4.862 1.00 0.00 C ATOM 1576 C LEU A 128 2.042 -0.320 -4.549 1.00 0.00 C ATOM 1577 O LEU A 128 2.852 -0.534 -3.647 1.00 0.00 O ATOM 1578 CB LEU A 128 -0.149 -1.298 -3.788 1.00 0.00 C ATOM 1579 CG LEU A 128 -0.968 -0.009 -3.710 1.00 0.00 C ATOM 1580 CD1 LEU A 128 -2.399 -0.321 -3.302 1.00 0.00 C ATOM 1581 CD2 LEU A 128 -0.341 0.963 -2.721 1.00 0.00 C ATOM 0 H LEU A 128 1.319 -3.266 -4.178 1.00 0.00 H new ATOM 0 HA LEU A 128 0.485 -1.050 -5.812 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -0.830 -2.130 -3.967 1.00 0.00 H new ATOM 0 HB3 LEU A 128 0.317 -1.470 -2.818 1.00 0.00 H new ATOM 0 HG LEU A 128 -0.975 0.456 -4.696 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -2.972 0.604 -3.250 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -2.850 -0.987 -4.038 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -2.402 -0.805 -2.325 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -0.937 1.874 -2.679 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -0.307 0.505 -1.732 1.00 0.00 H new ATOM 0 HD23 LEU A 128 0.672 1.207 -3.043 1.00 0.00 H new ATOM 1593 N GLY A 129 2.062 0.769 -5.297 1.00 0.00 N ATOM 1594 CA GLY A 129 3.105 1.753 -5.153 1.00 0.00 C ATOM 1595 C GLY A 129 2.580 3.105 -4.740 1.00 0.00 C ATOM 1596 O GLY A 129 1.466 3.490 -5.107 1.00 0.00 O ATOM 0 H GLY A 129 1.365 0.989 -6.009 1.00 0.00 H new ATOM 0 HA2 GLY A 129 3.825 1.406 -4.412 1.00 0.00 H new ATOM 0 HA3 GLY A 129 3.640 1.849 -6.098 1.00 0.00 H new ATOM 1600 N LEU A 130 3.385 3.820 -3.971 1.00 0.00 N ATOM 1601 CA LEU A 130 3.038 5.152 -3.516 1.00 0.00 C ATOM 1602 C LEU A 130 4.220 6.096 -3.733 1.00 0.00 C ATOM 1603 O LEU A 130 5.367 5.737 -3.458 1.00 0.00 O ATOM 1604 CB LEU A 130 2.658 5.111 -2.034 1.00 0.00 C ATOM 1605 CG LEU A 130 2.228 6.447 -1.419 1.00 0.00 C ATOM 1606 CD1 LEU A 130 0.979 6.981 -2.102 1.00 0.00 C ATOM 1607 CD2 LEU A 130 1.993 6.291 0.077 1.00 0.00 C ATOM 0 H LEU A 130 4.295 3.492 -3.646 1.00 0.00 H new ATOM 0 HA LEU A 130 2.185 5.518 -4.088 1.00 0.00 H new ATOM 0 HB2 LEU A 130 1.846 4.396 -1.906 1.00 0.00 H new ATOM 0 HB3 LEU A 130 3.510 4.730 -1.470 1.00 0.00 H new ATOM 0 HG LEU A 130 3.032 7.167 -1.572 1.00 0.00 H new ATOM 0 HD11 LEU A 130 0.694 7.930 -1.648 1.00 0.00 H new ATOM 0 HD12 LEU A 130 1.181 7.132 -3.162 1.00 0.00 H new ATOM 0 HD13 LEU A 130 0.166 6.264 -1.986 1.00 0.00 H new ATOM 0 HD21 LEU A 130 1.688 7.249 0.499 1.00 0.00 H new ATOM 0 HD22 LEU A 130 1.209 5.553 0.247 1.00 0.00 H new ATOM 0 HD23 LEU A 130 2.914 5.959 0.557 1.00 0.00 H new ATOM 1619 N THR A 131 3.941 7.278 -4.257 1.00 0.00 N ATOM 1620 CA THR A 131 4.965 8.291 -4.462 1.00 0.00 C ATOM 1621 C THR A 131 4.562 9.591 -3.772 1.00 0.00 C ATOM 1622 O THR A 131 3.520 10.162 -4.083 1.00 0.00 O ATOM 1623 CB THR A 131 5.185 8.551 -5.966 1.00 0.00 C ATOM 1624 OG1 THR A 131 5.519 7.322 -6.622 1.00 0.00 O ATOM 1625 CG2 THR A 131 6.291 9.573 -6.194 1.00 0.00 C ATOM 0 H THR A 131 3.006 7.562 -4.550 1.00 0.00 H new ATOM 0 HA THR A 131 5.897 7.925 -4.031 1.00 0.00 H new ATOM 0 HB THR A 131 4.261 8.953 -6.382 1.00 0.00 H new ATOM 0 HG1 THR A 131 5.657 7.488 -7.578 1.00 0.00 H new ATOM 0 HG21 THR A 131 6.422 9.735 -7.264 1.00 0.00 H new ATOM 0 HG22 THR A 131 6.021 10.514 -5.715 1.00 0.00 H new ATOM 0 HG23 THR A 131 7.223 9.203 -5.766 1.00 0.00 H new ATOM 1633 N CYS A 132 5.381 10.049 -2.834 1.00 0.00 N ATOM 1634 CA CYS A 132 5.067 11.248 -2.066 1.00 0.00 C ATOM 1635 C CYS A 132 6.124 12.329 -2.282 1.00 0.00 C ATOM 1636 O CYS A 132 7.307 12.032 -2.475 1.00 0.00 O ATOM 1637 CB CYS A 132 4.968 10.906 -0.576 1.00 0.00 C ATOM 1638 SG CYS A 132 3.978 9.417 -0.223 1.00 0.00 S ATOM 0 H CYS A 132 6.267 9.609 -2.586 1.00 0.00 H new ATOM 0 HA CYS A 132 4.108 11.632 -2.413 1.00 0.00 H new ATOM 0 HB2 CYS A 132 5.973 10.765 -0.178 1.00 0.00 H new ATOM 0 HB3 CYS A 132 4.532 11.754 -0.047 1.00 0.00 H new ATOM 1643 N LEU A 133 5.687 13.583 -2.260 1.00 0.00 N ATOM 1644 CA LEU A 133 6.582 14.723 -2.416 1.00 0.00 C ATOM 1645 C LEU A 133 7.326 15.016 -1.124 1.00 0.00 C ATOM 1646 O LEU A 133 6.797 14.797 -0.037 1.00 0.00 O ATOM 1647 CB LEU A 133 5.789 15.972 -2.804 1.00 0.00 C ATOM 1648 CG LEU A 133 5.309 16.032 -4.251 1.00 0.00 C ATOM 1649 CD1 LEU A 133 4.269 17.127 -4.416 1.00 0.00 C ATOM 1650 CD2 LEU A 133 6.480 16.280 -5.190 1.00 0.00 C ATOM 0 H LEU A 133 4.707 13.837 -2.134 1.00 0.00 H new ATOM 0 HA LEU A 133 7.297 14.470 -3.199 1.00 0.00 H new ATOM 0 HB2 LEU A 133 4.920 16.045 -2.150 1.00 0.00 H new ATOM 0 HB3 LEU A 133 6.409 16.847 -2.610 1.00 0.00 H new ATOM 0 HG LEU A 133 4.855 15.074 -4.504 1.00 0.00 H new ATOM 0 HD11 LEU A 133 3.935 17.159 -5.453 1.00 0.00 H new ATOM 0 HD12 LEU A 133 3.418 16.921 -3.767 1.00 0.00 H new ATOM 0 HD13 LEU A 133 4.707 18.088 -4.146 1.00 0.00 H new ATOM 0 HD21 LEU A 133 6.120 16.320 -6.218 1.00 0.00 H new ATOM 0 HD22 LEU A 133 6.956 17.227 -4.935 1.00 0.00 H new ATOM 0 HD23 LEU A 133 7.204 15.471 -5.090 1.00 0.00 H new ATOM 1662 N GLU A 134 8.545 15.508 -1.247 1.00 0.00 N ATOM 1663 CA GLU A 134 9.280 16.022 -0.105 1.00 0.00 C ATOM 1664 C GLU A 134 9.952 17.340 -0.479 1.00 0.00 C ATOM 1665 O GLU A 134 10.859 17.330 -1.338 1.00 0.00 O ATOM 1666 CB GLU A 134 10.310 15.007 0.415 1.00 0.00 C ATOM 1667 CG GLU A 134 11.284 14.507 -0.635 1.00 0.00 C ATOM 1668 CD GLU A 134 12.513 13.883 -0.021 1.00 0.00 C ATOM 1669 OE1 GLU A 134 13.485 14.621 0.249 1.00 0.00 O ATOM 1670 OE2 GLU A 134 12.525 12.656 0.186 1.00 0.00 O ATOM 1671 OXT GLU A 134 9.554 18.387 0.068 1.00 0.00 O ATOM 0 H GLU A 134 9.050 15.563 -2.132 1.00 0.00 H new ATOM 0 HA GLU A 134 8.573 16.198 0.706 1.00 0.00 H new ATOM 0 HB2 GLU A 134 10.874 15.465 1.228 1.00 0.00 H new ATOM 0 HB3 GLU A 134 9.779 14.153 0.837 1.00 0.00 H new ATOM 0 HG2 GLU A 134 10.786 13.775 -1.271 1.00 0.00 H new ATOM 0 HG3 GLU A 134 11.582 15.336 -1.276 1.00 0.00 H new TER 1678 GLU A 134