USER MOD reduce.3.24.130724 H: found=0, std=0, add=869, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 871 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 24 ASN : amide:sc= 0.423 K(o=0.42,f=-1.2) USER MOD Set 1.2: A 107 MET CE :methyl -145:sc= 0 (180deg=-0.399) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 140:sc= 1.26 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 TYR OH : rot -148:sc= 0.0178 USER MOD Single : A 39 GLN : amide:sc= 0.12 X(o=0.12,f=0) USER MOD Single : A 40 SER OG : rot -2:sc= 0.256 USER MOD Single : A 41 CYS SG : rot 70:sc= 0.518 USER MOD Single : A 43 LYS NZ :NH3+ -119:sc= 0.315 (180deg=-0.374) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.341 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot -75:sc= 1.21 USER MOD Single : A 68 THR OG1 : rot -170:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -114:sc= 0.208 (180deg=-0.123) USER MOD Single : A 72 THR OG1 : rot 87:sc= 0.00758 USER MOD Single : A 74 SER OG : rot -134:sc= 0.181 USER MOD Single : A 79 TYR OH : rot 165:sc=-0.00248 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ -158:sc= 1.21 (180deg=0.802) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.0037 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0.00898 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.00915 USER MOD Single : A 109 ASN : amide:sc= 1.37 K(o=1.4,f=-1.8!) USER MOD Single : A 114 TYR OH : rot 150:sc= -0.287 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 GLN : amide:sc= 0.0249 X(o=0.025,f=-0.39) USER MOD ----------------------------------------------------------------- ATOM 18 N GLY A 2 -3.126 -9.132 -9.283 1.00 73.54 N ATOM 19 CA GLY A 2 -1.805 -8.892 -9.862 1.00 71.43 C ATOM 20 C GLY A 2 -1.733 -7.635 -10.717 1.00 43.34 C ATOM 21 O GLY A 2 -1.337 -7.688 -11.880 1.00 52.02 O ATOM 0 HA2 GLY A 2 -1.073 -8.816 -9.058 1.00 71.43 H new ATOM 0 HA3 GLY A 2 -1.523 -9.751 -10.470 1.00 71.43 H new ATOM 25 N ILE A 3 -2.111 -6.496 -10.143 1.00 51.11 N ATOM 26 CA ILE A 3 -2.128 -5.219 -10.848 1.00 22.51 C ATOM 27 C ILE A 3 -0.682 -4.810 -11.165 1.00 70.33 C ATOM 28 O ILE A 3 0.252 -5.142 -10.428 1.00 22.33 O ATOM 29 CB ILE A 3 -2.863 -4.148 -10.003 1.00 25.30 C ATOM 30 CG1 ILE A 3 -4.166 -4.699 -9.381 1.00 2.02 C ATOM 31 CG2 ILE A 3 -3.187 -2.898 -10.845 1.00 11.41 C ATOM 32 CD1 ILE A 3 -4.934 -3.660 -8.559 1.00 30.35 C ATOM 0 H ILE A 3 -2.415 -6.433 -9.171 1.00 51.11 H new ATOM 0 HA ILE A 3 -2.675 -5.313 -11.786 1.00 22.51 H new ATOM 0 HB ILE A 3 -2.185 -3.871 -9.196 1.00 25.30 H new ATOM 0 HG12 ILE A 3 -4.811 -5.071 -10.177 1.00 2.02 H new ATOM 0 HG13 ILE A 3 -3.924 -5.549 -8.743 1.00 2.02 H new ATOM 0 HG21 ILE A 3 -3.702 -2.165 -10.224 1.00 11.41 H new ATOM 0 HG22 ILE A 3 -2.262 -2.465 -11.225 1.00 11.41 H new ATOM 0 HG23 ILE A 3 -3.827 -3.179 -11.682 1.00 11.41 H new ATOM 0 HD11 ILE A 3 -5.837 -4.114 -8.152 1.00 30.35 H new ATOM 0 HD12 ILE A 3 -4.306 -3.306 -7.742 1.00 30.35 H new ATOM 0 HD13 ILE A 3 -5.206 -2.820 -9.198 1.00 30.35 H new ATOM 44 N THR A 4 -0.518 -4.047 -12.237 1.00 72.35 N ATOM 45 CA THR A 4 0.707 -3.345 -12.585 1.00 22.12 C ATOM 46 C THR A 4 0.910 -2.198 -11.593 1.00 64.10 C ATOM 47 O THR A 4 -0.022 -1.423 -11.370 1.00 4.43 O ATOM 48 CB THR A 4 0.602 -2.779 -14.013 1.00 1.12 C ATOM 49 OG1 THR A 4 0.137 -3.785 -14.902 1.00 60.33 O ATOM 50 CG2 THR A 4 1.946 -2.219 -14.491 1.00 54.42 C ATOM 0 H THR A 4 -1.265 -3.895 -12.914 1.00 72.35 H new ATOM 0 HA THR A 4 1.551 -4.033 -12.542 1.00 22.12 H new ATOM 0 HB THR A 4 -0.113 -1.957 -14.001 1.00 1.12 H new ATOM 0 HG1 THR A 4 0.071 -3.416 -15.808 1.00 60.33 H new ATOM 0 HG21 THR A 4 1.838 -1.827 -15.502 1.00 54.42 H new ATOM 0 HG22 THR A 4 2.264 -1.418 -13.824 1.00 54.42 H new ATOM 0 HG23 THR A 4 2.693 -3.013 -14.487 1.00 54.42 H new ATOM 58 N ILE A 5 2.114 -2.020 -11.052 1.00 31.31 N ATOM 59 CA ILE A 5 2.475 -0.809 -10.327 1.00 41.20 C ATOM 60 C ILE A 5 3.481 -0.029 -11.173 1.00 54.52 C ATOM 61 O ILE A 5 4.338 -0.621 -11.839 1.00 52.23 O ATOM 62 CB ILE A 5 3.021 -1.180 -8.938 1.00 25.21 C ATOM 63 CG1 ILE A 5 2.001 -1.975 -8.096 1.00 54.20 C ATOM 64 CG2 ILE A 5 3.568 0.016 -8.147 1.00 30.42 C ATOM 65 CD1 ILE A 5 0.766 -1.200 -7.629 1.00 43.20 C ATOM 0 H ILE A 5 2.863 -2.711 -11.105 1.00 31.31 H new ATOM 0 HA ILE A 5 1.607 -0.171 -10.159 1.00 41.20 H new ATOM 0 HB ILE A 5 3.871 -1.831 -9.141 1.00 25.21 H new ATOM 0 HG12 ILE A 5 1.668 -2.833 -8.680 1.00 54.20 H new ATOM 0 HG13 ILE A 5 2.513 -2.367 -7.217 1.00 54.20 H new ATOM 0 HG21 ILE A 5 3.935 -0.325 -7.179 1.00 30.42 H new ATOM 0 HG22 ILE A 5 4.385 0.477 -8.703 1.00 30.42 H new ATOM 0 HG23 ILE A 5 2.774 0.747 -7.997 1.00 30.42 H new ATOM 0 HD11 ILE A 5 0.121 -1.859 -7.047 1.00 43.20 H new ATOM 0 HD12 ILE A 5 1.077 -0.358 -7.011 1.00 43.20 H new ATOM 0 HD13 ILE A 5 0.219 -0.830 -8.496 1.00 43.20 H new ATOM 77 N THR A 6 3.379 1.296 -11.096 1.00 2.43 N ATOM 78 CA THR A 6 4.252 2.269 -11.719 1.00 44.41 C ATOM 79 C THR A 6 4.735 3.268 -10.665 1.00 53.13 C ATOM 80 O THR A 6 3.951 3.769 -9.854 1.00 61.11 O ATOM 81 CB THR A 6 3.502 2.963 -12.873 1.00 31.44 C ATOM 82 OG1 THR A 6 2.131 3.217 -12.611 1.00 21.05 O ATOM 83 CG2 THR A 6 3.542 2.080 -14.109 1.00 42.02 C ATOM 0 H THR A 6 2.633 1.740 -10.560 1.00 2.43 H new ATOM 0 HA THR A 6 5.131 1.780 -12.139 1.00 44.41 H new ATOM 0 HB THR A 6 4.010 3.918 -13.007 1.00 31.44 H new ATOM 0 HG1 THR A 6 1.726 3.659 -13.386 1.00 21.05 H new ATOM 0 HG21 THR A 6 3.011 2.571 -14.925 1.00 42.02 H new ATOM 0 HG22 THR A 6 4.578 1.909 -14.401 1.00 42.02 H new ATOM 0 HG23 THR A 6 3.065 1.125 -13.889 1.00 42.02 H new ATOM 91 N ASP A 7 6.034 3.566 -10.687 1.00 40.34 N ATOM 92 CA ASP A 7 6.718 4.527 -9.826 1.00 52.12 C ATOM 93 C ASP A 7 6.134 5.927 -10.008 1.00 34.01 C ATOM 94 O ASP A 7 6.111 6.707 -9.058 1.00 71.45 O ATOM 95 CB ASP A 7 8.223 4.531 -10.130 1.00 33.21 C ATOM 96 CG ASP A 7 8.944 3.204 -9.841 1.00 44.43 C ATOM 97 OD1 ASP A 7 8.289 2.183 -9.531 1.00 70.31 O ATOM 98 OD2 ASP A 7 10.175 3.158 -10.078 1.00 5.31 O ATOM 0 H ASP A 7 6.672 3.117 -11.344 1.00 40.34 H new ATOM 0 HA ASP A 7 6.570 4.228 -8.788 1.00 52.12 H new ATOM 0 HB2 ASP A 7 8.366 4.785 -11.180 1.00 33.21 H new ATOM 0 HB3 ASP A 7 8.695 5.320 -9.544 1.00 33.21 H new ATOM 103 N GLU A 8 5.598 6.224 -11.196 1.00 2.12 N ATOM 104 CA GLU A 8 4.844 7.438 -11.475 1.00 34.02 C ATOM 105 C GLU A 8 3.644 7.554 -10.539 1.00 64.25 C ATOM 106 O GLU A 8 3.485 8.562 -9.853 1.00 52.25 O ATOM 107 CB GLU A 8 4.362 7.410 -12.932 1.00 64.51 C ATOM 108 CG GLU A 8 5.383 8.015 -13.895 1.00 44.34 C ATOM 109 CD GLU A 8 5.099 9.494 -14.142 1.00 24.54 C ATOM 110 OE1 GLU A 8 4.313 9.807 -15.064 1.00 53.42 O ATOM 111 OE2 GLU A 8 5.657 10.367 -13.441 1.00 25.22 O ATOM 0 H GLU A 8 5.682 5.609 -12.005 1.00 2.12 H new ATOM 0 HA GLU A 8 5.491 8.300 -11.315 1.00 34.02 H new ATOM 0 HB2 GLU A 8 4.157 6.380 -13.224 1.00 64.51 H new ATOM 0 HB3 GLU A 8 3.423 7.957 -13.012 1.00 64.51 H new ATOM 0 HG2 GLU A 8 6.387 7.898 -13.486 1.00 44.34 H new ATOM 0 HG3 GLU A 8 5.359 7.474 -14.841 1.00 44.34 H new ATOM 118 N LEU A 9 2.803 6.518 -10.492 1.00 34.22 N ATOM 119 CA LEU A 9 1.649 6.488 -9.601 1.00 51.40 C ATOM 120 C LEU A 9 2.103 6.619 -8.158 1.00 20.42 C ATOM 121 O LEU A 9 1.428 7.242 -7.350 1.00 31.00 O ATOM 122 CB LEU A 9 0.871 5.171 -9.762 1.00 45.12 C ATOM 123 CG LEU A 9 -0.491 5.370 -10.435 1.00 62.25 C ATOM 124 CD1 LEU A 9 -1.042 4.008 -10.871 1.00 31.33 C ATOM 125 CD2 LEU A 9 -1.474 6.066 -9.483 1.00 12.42 C ATOM 0 H LEU A 9 2.905 5.683 -11.068 1.00 34.22 H new ATOM 0 HA LEU A 9 0.998 7.322 -9.862 1.00 51.40 H new ATOM 0 HB2 LEU A 9 1.465 4.472 -10.351 1.00 45.12 H new ATOM 0 HB3 LEU A 9 0.725 4.717 -8.782 1.00 45.12 H new ATOM 0 HG LEU A 9 -0.366 6.008 -11.310 1.00 62.25 H new ATOM 0 HD11 LEU A 9 -2.011 4.144 -11.351 1.00 31.33 H new ATOM 0 HD12 LEU A 9 -0.351 3.544 -11.575 1.00 31.33 H new ATOM 0 HD13 LEU A 9 -1.156 3.365 -9.998 1.00 31.33 H new ATOM 0 HD21 LEU A 9 -2.434 6.196 -9.983 1.00 12.42 H new ATOM 0 HD22 LEU A 9 -1.610 5.456 -8.590 1.00 12.42 H new ATOM 0 HD23 LEU A 9 -1.077 7.041 -9.199 1.00 12.42 H new ATOM 137 N LEU A 10 3.238 6.013 -7.816 1.00 22.14 N ATOM 138 CA LEU A 10 3.740 6.038 -6.454 1.00 32.13 C ATOM 139 C LEU A 10 4.090 7.460 -6.036 1.00 13.34 C ATOM 140 O LEU A 10 3.769 7.844 -4.910 1.00 75.03 O ATOM 141 CB LEU A 10 4.909 5.062 -6.297 1.00 72.14 C ATOM 142 CG LEU A 10 4.382 3.617 -6.371 1.00 43.44 C ATOM 143 CD1 LEU A 10 5.459 2.656 -6.852 1.00 63.23 C ATOM 144 CD2 LEU A 10 3.874 3.160 -5.005 1.00 2.32 C ATOM 0 H LEU A 10 3.826 5.498 -8.471 1.00 22.14 H new ATOM 0 HA LEU A 10 2.957 5.701 -5.775 1.00 32.13 H new ATOM 0 HB2 LEU A 10 5.647 5.232 -7.081 1.00 72.14 H new ATOM 0 HB3 LEU A 10 5.411 5.229 -5.344 1.00 72.14 H new ATOM 0 HG LEU A 10 3.561 3.608 -7.088 1.00 43.44 H new ATOM 0 HD11 LEU A 10 5.053 1.645 -6.892 1.00 63.23 H new ATOM 0 HD12 LEU A 10 5.794 2.953 -7.846 1.00 63.23 H new ATOM 0 HD13 LEU A 10 6.303 2.681 -6.163 1.00 63.23 H new ATOM 0 HD21 LEU A 10 3.506 2.137 -5.077 1.00 2.32 H new ATOM 0 HD22 LEU A 10 4.688 3.202 -4.281 1.00 2.32 H new ATOM 0 HD23 LEU A 10 3.065 3.814 -4.680 1.00 2.32 H new ATOM 156 N TRP A 11 4.680 8.263 -6.927 1.00 35.24 N ATOM 157 CA TRP A 11 5.013 9.655 -6.644 1.00 51.34 C ATOM 158 C TRP A 11 3.804 10.487 -6.203 1.00 14.43 C ATOM 159 O TRP A 11 3.970 11.382 -5.367 1.00 73.13 O ATOM 160 CB TRP A 11 5.785 10.278 -7.817 1.00 44.54 C ATOM 161 CG TRP A 11 7.269 10.172 -7.638 1.00 52.21 C ATOM 162 CD1 TRP A 11 8.092 9.294 -8.251 1.00 63.42 C ATOM 163 CD2 TRP A 11 8.090 10.860 -6.653 1.00 42.30 C ATOM 164 NE1 TRP A 11 9.375 9.436 -7.762 1.00 44.54 N ATOM 165 CE2 TRP A 11 9.424 10.365 -6.744 1.00 72.22 C ATOM 166 CE3 TRP A 11 7.803 11.759 -5.603 1.00 22.31 C ATOM 167 CZ2 TRP A 11 10.412 10.732 -5.818 1.00 22.33 C ATOM 168 CZ3 TRP A 11 8.788 12.133 -4.669 1.00 54.13 C ATOM 169 CH2 TRP A 11 10.085 11.604 -4.766 1.00 41.41 C ATOM 0 H TRP A 11 4.939 7.961 -7.866 1.00 35.24 H new ATOM 0 HA TRP A 11 5.677 9.662 -5.780 1.00 51.34 H new ATOM 0 HB2 TRP A 11 5.496 9.782 -8.744 1.00 44.54 H new ATOM 0 HB3 TRP A 11 5.507 11.327 -7.916 1.00 44.54 H new ATOM 0 HD1 TRP A 11 7.791 8.587 -9.010 1.00 63.42 H new ATOM 0 HE1 TRP A 11 10.183 8.920 -8.109 1.00 44.54 H new ATOM 0 HE3 TRP A 11 6.807 12.168 -5.514 1.00 22.31 H new ATOM 0 HZ2 TRP A 11 11.417 10.347 -5.913 1.00 22.33 H new ATOM 0 HZ3 TRP A 11 8.546 12.827 -3.878 1.00 54.13 H new ATOM 0 HH2 TRP A 11 10.832 11.868 -4.032 1.00 41.41 H new ATOM 180 N ALA A 12 2.593 10.155 -6.664 1.00 74.45 N ATOM 181 CA ALA A 12 1.369 10.848 -6.280 1.00 33.22 C ATOM 182 C ALA A 12 1.140 10.821 -4.769 1.00 51.55 C ATOM 183 O ALA A 12 0.651 11.801 -4.198 1.00 52.34 O ATOM 184 CB ALA A 12 0.163 10.209 -6.973 1.00 61.22 C ATOM 0 H ALA A 12 2.439 9.390 -7.320 1.00 74.45 H new ATOM 0 HA ALA A 12 1.481 11.887 -6.591 1.00 33.22 H new ATOM 0 HB1 ALA A 12 -0.746 10.734 -6.679 1.00 61.22 H new ATOM 0 HB2 ALA A 12 0.287 10.275 -8.054 1.00 61.22 H new ATOM 0 HB3 ALA A 12 0.088 9.162 -6.680 1.00 61.22 H new ATOM 190 N ILE A 13 1.474 9.703 -4.122 1.00 73.31 N ATOM 191 CA ILE A 13 1.278 9.530 -2.695 1.00 73.44 C ATOM 192 C ILE A 13 2.181 10.522 -1.946 1.00 33.24 C ATOM 193 O ILE A 13 1.740 11.138 -0.972 1.00 41.33 O ATOM 194 CB ILE A 13 1.551 8.060 -2.291 1.00 34.43 C ATOM 195 CG1 ILE A 13 0.452 7.083 -2.777 1.00 3.32 C ATOM 196 CG2 ILE A 13 1.590 7.941 -0.768 1.00 3.34 C ATOM 197 CD1 ILE A 13 0.698 6.514 -4.174 1.00 12.52 C ATOM 0 H ILE A 13 1.889 8.893 -4.582 1.00 73.31 H new ATOM 0 HA ILE A 13 0.244 9.742 -2.424 1.00 73.44 H new ATOM 0 HB ILE A 13 2.500 7.795 -2.757 1.00 34.43 H new ATOM 0 HG12 ILE A 13 0.375 6.258 -2.069 1.00 3.32 H new ATOM 0 HG13 ILE A 13 -0.508 7.600 -2.770 1.00 3.32 H new ATOM 0 HG21 ILE A 13 1.782 6.905 -0.489 1.00 3.34 H new ATOM 0 HG22 ILE A 13 2.383 8.576 -0.374 1.00 3.34 H new ATOM 0 HG23 ILE A 13 0.632 8.257 -0.354 1.00 3.34 H new ATOM 0 HD11 ILE A 13 -0.116 5.839 -4.441 1.00 12.52 H new ATOM 0 HD12 ILE A 13 0.745 7.329 -4.896 1.00 12.52 H new ATOM 0 HD13 ILE A 13 1.641 5.967 -4.183 1.00 12.52 H new ATOM 209 N LEU A 14 3.463 10.624 -2.324 1.00 41.11 N ATOM 210 CA LEU A 14 4.431 11.402 -1.572 1.00 0.41 C ATOM 211 C LEU A 14 4.227 12.896 -1.725 1.00 32.15 C ATOM 212 O LEU A 14 4.460 13.603 -0.742 1.00 62.11 O ATOM 213 CB LEU A 14 5.861 11.062 -1.999 1.00 72.21 C ATOM 214 CG LEU A 14 6.302 9.619 -1.730 1.00 15.23 C ATOM 215 CD1 LEU A 14 5.821 9.048 -0.387 1.00 42.31 C ATOM 216 CD2 LEU A 14 5.918 8.680 -2.856 1.00 63.24 C ATOM 0 H LEU A 14 3.846 10.170 -3.153 1.00 41.11 H new ATOM 0 HA LEU A 14 4.276 11.137 -0.526 1.00 0.41 H new ATOM 0 HB2 LEU A 14 5.961 11.261 -3.066 1.00 72.21 H new ATOM 0 HB3 LEU A 14 6.546 11.735 -1.484 1.00 72.21 H new ATOM 0 HG LEU A 14 7.389 9.682 -1.673 1.00 15.23 H new ATOM 0 HD11 LEU A 14 6.178 8.024 -0.278 1.00 42.31 H new ATOM 0 HD12 LEU A 14 6.212 9.657 0.428 1.00 42.31 H new ATOM 0 HD13 LEU A 14 4.731 9.058 -0.357 1.00 42.31 H new ATOM 0 HD21 LEU A 14 6.252 7.670 -2.618 1.00 63.24 H new ATOM 0 HD22 LEU A 14 4.835 8.684 -2.980 1.00 63.24 H new ATOM 0 HD23 LEU A 14 6.390 9.010 -3.782 1.00 63.24 H new ATOM 228 N LYS A 15 3.858 13.376 -2.917 1.00 53.55 N ATOM 229 CA LYS A 15 3.662 14.805 -3.130 1.00 40.43 C ATOM 230 C LYS A 15 2.400 15.220 -2.371 1.00 12.02 C ATOM 231 O LYS A 15 2.488 15.621 -1.206 1.00 60.12 O ATOM 232 CB LYS A 15 3.646 15.144 -4.638 1.00 53.43 C ATOM 233 CG LYS A 15 4.940 14.788 -5.402 1.00 72.41 C ATOM 234 CD LYS A 15 6.217 15.439 -4.847 1.00 53.14 C ATOM 235 CE LYS A 15 7.385 15.279 -5.837 1.00 44.44 C ATOM 236 NZ LYS A 15 8.621 15.953 -5.374 1.00 75.25 N ATOM 0 H LYS A 15 3.691 12.797 -3.740 1.00 53.55 H new ATOM 0 HA LYS A 15 4.494 15.387 -2.734 1.00 40.43 H new ATOM 0 HB2 LYS A 15 2.811 14.620 -5.104 1.00 53.43 H new ATOM 0 HB3 LYS A 15 3.456 16.211 -4.753 1.00 53.43 H new ATOM 0 HG2 LYS A 15 5.066 13.705 -5.390 1.00 72.41 H new ATOM 0 HG3 LYS A 15 4.822 15.083 -6.445 1.00 72.41 H new ATOM 0 HD2 LYS A 15 6.038 16.497 -4.656 1.00 53.14 H new ATOM 0 HD3 LYS A 15 6.478 14.983 -3.892 1.00 53.14 H new ATOM 0 HE2 LYS A 15 7.588 14.218 -5.986 1.00 44.44 H new ATOM 0 HE3 LYS A 15 7.094 15.687 -6.805 1.00 44.44 H new ATOM 0 HZ1 LYS A 15 9.376 15.815 -6.076 1.00 75.25 H new ATOM 0 HZ2 LYS A 15 8.439 16.970 -5.257 1.00 75.25 H new ATOM 0 HZ3 LYS A 15 8.917 15.548 -4.463 1.00 75.25 H new ATOM 250 N ASP A 16 1.216 15.078 -2.972 1.00 64.33 N ATOM 251 CA ASP A 16 -0.068 15.346 -2.309 1.00 25.44 C ATOM 252 C ASP A 16 -1.266 14.997 -3.195 1.00 42.45 C ATOM 253 O ASP A 16 -2.374 15.462 -2.932 1.00 63.05 O ATOM 254 CB ASP A 16 -0.165 16.827 -1.873 1.00 74.12 C ATOM 255 CG ASP A 16 -0.640 17.034 -0.431 1.00 4.02 C ATOM 256 OD1 ASP A 16 -0.835 16.087 0.363 1.00 22.35 O ATOM 257 OD2 ASP A 16 -0.675 18.218 -0.023 1.00 51.31 O ATOM 0 H ASP A 16 1.118 14.772 -3.940 1.00 64.33 H new ATOM 0 HA ASP A 16 -0.101 14.703 -1.429 1.00 25.44 H new ATOM 0 HB2 ASP A 16 0.814 17.292 -1.990 1.00 74.12 H new ATOM 0 HB3 ASP A 16 -0.848 17.347 -2.545 1.00 74.12 H new ATOM 262 N GLU A 17 -1.050 14.273 -4.298 1.00 23.14 N ATOM 263 CA GLU A 17 -2.052 14.031 -5.308 1.00 45.12 C ATOM 264 C GLU A 17 -3.071 13.026 -4.773 1.00 21.21 C ATOM 265 O GLU A 17 -4.270 13.257 -4.898 1.00 0.42 O ATOM 266 CB GLU A 17 -1.285 13.545 -6.544 1.00 42.42 C ATOM 267 CG GLU A 17 -2.124 12.785 -7.563 1.00 11.14 C ATOM 268 CD GLU A 17 -3.210 13.647 -8.210 1.00 44.42 C ATOM 269 OE1 GLU A 17 -3.023 14.890 -8.282 1.00 41.14 O ATOM 270 OE2 GLU A 17 -4.216 13.075 -8.677 1.00 40.32 O ATOM 0 H GLU A 17 -0.152 13.836 -4.506 1.00 23.14 H new ATOM 0 HA GLU A 17 -2.630 14.915 -5.576 1.00 45.12 H new ATOM 0 HB2 GLU A 17 -0.835 14.407 -7.036 1.00 42.42 H new ATOM 0 HB3 GLU A 17 -0.468 12.902 -6.217 1.00 42.42 H new ATOM 0 HG2 GLU A 17 -1.470 12.391 -8.341 1.00 11.14 H new ATOM 0 HG3 GLU A 17 -2.591 11.929 -7.075 1.00 11.14 H new ATOM 277 N LEU A 18 -2.606 11.919 -4.178 1.00 61.21 N ATOM 278 CA LEU A 18 -3.508 11.005 -3.487 1.00 64.15 C ATOM 279 C LEU A 18 -3.753 11.492 -2.085 1.00 45.22 C ATOM 280 O LEU A 18 -2.908 12.124 -1.438 1.00 52.35 O ATOM 281 CB LEU A 18 -2.959 9.579 -3.401 1.00 64.15 C ATOM 282 CG LEU A 18 -3.442 8.749 -4.601 1.00 54.13 C ATOM 283 CD1 LEU A 18 -2.329 7.861 -5.080 1.00 43.13 C ATOM 284 CD2 LEU A 18 -4.725 7.954 -4.378 1.00 0.42 C ATOM 0 H LEU A 18 -1.624 11.643 -4.164 1.00 61.21 H new ATOM 0 HA LEU A 18 -4.429 10.984 -4.069 1.00 64.15 H new ATOM 0 HB2 LEU A 18 -1.869 9.602 -3.381 1.00 64.15 H new ATOM 0 HB3 LEU A 18 -3.285 9.112 -2.472 1.00 64.15 H new ATOM 0 HG LEU A 18 -3.713 9.472 -5.370 1.00 54.13 H new ATOM 0 HD11 LEU A 18 -2.673 7.273 -5.931 1.00 43.13 H new ATOM 0 HD12 LEU A 18 -1.479 8.473 -5.382 1.00 43.13 H new ATOM 0 HD13 LEU A 18 -2.026 7.191 -4.275 1.00 43.13 H new ATOM 0 HD21 LEU A 18 -4.976 7.405 -5.286 1.00 0.42 H new ATOM 0 HD22 LEU A 18 -4.580 7.251 -3.558 1.00 0.42 H new ATOM 0 HD23 LEU A 18 -5.538 8.637 -4.131 1.00 0.42 H new ATOM 296 N SER A 19 -4.867 11.004 -1.572 1.00 33.10 N ATOM 297 CA SER A 19 -5.482 11.497 -0.348 1.00 14.14 C ATOM 298 C SER A 19 -5.527 10.391 0.710 1.00 2.54 C ATOM 299 O SER A 19 -5.036 9.298 0.448 1.00 42.12 O ATOM 300 CB SER A 19 -6.856 12.102 -0.661 1.00 62.53 C ATOM 301 OG SER A 19 -6.781 12.954 -1.790 1.00 63.21 O ATOM 0 H SER A 19 -5.383 10.237 -2.002 1.00 33.10 H new ATOM 0 HA SER A 19 -4.878 12.298 0.077 1.00 14.14 H new ATOM 0 HB2 SER A 19 -7.576 11.305 -0.847 1.00 62.53 H new ATOM 0 HB3 SER A 19 -7.217 12.663 0.201 1.00 62.53 H new ATOM 0 HG SER A 19 -7.577 12.829 -2.348 1.00 63.21 H new ATOM 307 N ASP A 20 -6.082 10.640 1.899 1.00 64.13 N ATOM 308 CA ASP A 20 -6.176 9.637 2.968 1.00 2.03 C ATOM 309 C ASP A 20 -7.015 8.468 2.448 1.00 74.31 C ATOM 310 O ASP A 20 -6.540 7.348 2.255 1.00 64.25 O ATOM 311 CB ASP A 20 -6.820 10.224 4.252 1.00 73.41 C ATOM 312 CG ASP A 20 -5.898 11.058 5.136 1.00 34.51 C ATOM 313 OD1 ASP A 20 -4.806 11.450 4.671 1.00 13.45 O ATOM 314 OD2 ASP A 20 -6.295 11.385 6.278 1.00 70.21 O ATOM 0 H ASP A 20 -6.480 11.545 2.150 1.00 64.13 H new ATOM 0 HA ASP A 20 -5.173 9.306 3.236 1.00 2.03 H new ATOM 0 HB2 ASP A 20 -7.669 10.842 3.960 1.00 73.41 H new ATOM 0 HB3 ASP A 20 -7.215 9.400 4.847 1.00 73.41 H new ATOM 319 N ALA A 21 -8.278 8.771 2.163 1.00 35.52 N ATOM 320 CA ALA A 21 -9.344 7.864 1.758 1.00 12.13 C ATOM 321 C ALA A 21 -9.337 7.564 0.252 1.00 52.31 C ATOM 322 O ALA A 21 -10.364 7.212 -0.333 1.00 52.31 O ATOM 323 CB ALA A 21 -10.639 8.555 2.153 1.00 43.15 C ATOM 0 H ALA A 21 -8.607 9.735 2.214 1.00 35.52 H new ATOM 0 HA ALA A 21 -9.217 6.897 2.244 1.00 12.13 H new ATOM 0 HB1 ALA A 21 -11.486 7.927 1.877 1.00 43.15 H new ATOM 0 HB2 ALA A 21 -10.648 8.723 3.230 1.00 43.15 H new ATOM 0 HB3 ALA A 21 -10.713 9.512 1.636 1.00 43.15 H new ATOM 329 N GLU A 22 -8.188 7.787 -0.372 1.00 21.33 N ATOM 330 CA GLU A 22 -7.903 7.472 -1.772 1.00 10.04 C ATOM 331 C GLU A 22 -6.623 6.654 -1.878 1.00 33.41 C ATOM 332 O GLU A 22 -6.607 5.620 -2.539 1.00 45.23 O ATOM 333 CB GLU A 22 -7.800 8.749 -2.620 1.00 13.54 C ATOM 334 CG GLU A 22 -9.102 9.538 -2.576 1.00 12.31 C ATOM 335 CD GLU A 22 -9.146 10.694 -3.575 1.00 52.01 C ATOM 336 OE1 GLU A 22 -8.590 11.765 -3.259 1.00 51.21 O ATOM 337 OE2 GLU A 22 -9.825 10.562 -4.620 1.00 51.30 O ATOM 0 H GLU A 22 -7.391 8.211 0.102 1.00 21.33 H new ATOM 0 HA GLU A 22 -8.731 6.880 -2.162 1.00 10.04 H new ATOM 0 HB2 GLU A 22 -6.982 9.369 -2.253 1.00 13.54 H new ATOM 0 HB3 GLU A 22 -7.564 8.487 -3.651 1.00 13.54 H new ATOM 0 HG2 GLU A 22 -9.934 8.863 -2.776 1.00 12.31 H new ATOM 0 HG3 GLU A 22 -9.246 9.932 -1.570 1.00 12.31 H new ATOM 344 N ALA A 23 -5.551 7.075 -1.200 1.00 53.11 N ATOM 345 CA ALA A 23 -4.270 6.371 -1.258 1.00 60.34 C ATOM 346 C ALA A 23 -4.455 4.915 -0.776 1.00 44.31 C ATOM 347 O ALA A 23 -3.804 4.000 -1.287 1.00 61.20 O ATOM 348 CB ALA A 23 -3.230 7.026 -0.347 1.00 15.03 C ATOM 0 H ALA A 23 -5.547 7.902 -0.604 1.00 53.11 H new ATOM 0 HA ALA A 23 -3.926 6.407 -2.292 1.00 60.34 H new ATOM 0 HB1 ALA A 23 -2.290 6.478 -0.414 1.00 15.03 H new ATOM 0 HB2 ALA A 23 -3.071 8.058 -0.659 1.00 15.03 H new ATOM 0 HB3 ALA A 23 -3.587 7.010 0.683 1.00 15.03 H new ATOM 354 N ASN A 24 -5.330 4.724 0.226 1.00 54.31 N ATOM 355 CA ASN A 24 -5.716 3.437 0.812 1.00 40.12 C ATOM 356 C ASN A 24 -6.300 2.531 -0.271 1.00 33.22 C ATOM 357 O ASN A 24 -5.955 1.357 -0.349 1.00 22.10 O ATOM 358 CB ASN A 24 -6.779 3.646 1.920 1.00 54.51 C ATOM 359 CG ASN A 24 -6.334 3.383 3.359 1.00 43.13 C ATOM 360 OD1 ASN A 24 -5.328 2.736 3.637 1.00 73.41 O ATOM 361 ND2 ASN A 24 -7.063 3.933 4.319 1.00 12.45 N ATOM 0 H ASN A 24 -5.810 5.507 0.670 1.00 54.31 H new ATOM 0 HA ASN A 24 -4.829 2.974 1.246 1.00 40.12 H new ATOM 0 HB2 ASN A 24 -7.138 4.673 1.857 1.00 54.51 H new ATOM 0 HB3 ASN A 24 -7.628 2.998 1.703 1.00 54.51 H new ATOM 0 HD21 ASN A 24 -6.790 3.820 5.295 1.00 12.45 H new ATOM 0 HD22 ASN A 24 -7.898 4.469 4.082 1.00 12.45 H new ATOM 368 N ALA A 25 -7.187 3.073 -1.108 1.00 1.41 N ATOM 369 CA ALA A 25 -7.946 2.307 -2.079 1.00 41.23 C ATOM 370 C ALA A 25 -7.025 1.561 -3.042 1.00 43.23 C ATOM 371 O ALA A 25 -7.243 0.374 -3.280 1.00 73.14 O ATOM 372 CB ALA A 25 -8.891 3.235 -2.839 1.00 4.11 C ATOM 0 H ALA A 25 -7.396 4.071 -1.125 1.00 1.41 H new ATOM 0 HA ALA A 25 -8.533 1.558 -1.548 1.00 41.23 H new ATOM 0 HB1 ALA A 25 -9.460 2.658 -3.568 1.00 4.11 H new ATOM 0 HB2 ALA A 25 -9.577 3.710 -2.137 1.00 4.11 H new ATOM 0 HB3 ALA A 25 -8.312 4.001 -3.355 1.00 4.11 H new ATOM 378 N LEU A 26 -5.993 2.222 -3.587 1.00 42.22 N ATOM 379 CA LEU A 26 -5.052 1.597 -4.511 1.00 40.10 C ATOM 380 C LEU A 26 -4.292 0.443 -3.852 1.00 73.52 C ATOM 381 O LEU A 26 -3.986 -0.544 -4.518 1.00 45.22 O ATOM 382 CB LEU A 26 -4.077 2.641 -5.072 1.00 75.33 C ATOM 383 CG LEU A 26 -4.723 3.758 -5.917 1.00 15.43 C ATOM 384 CD1 LEU A 26 -3.620 4.632 -6.518 1.00 41.14 C ATOM 385 CD2 LEU A 26 -5.593 3.217 -7.060 1.00 31.41 C ATOM 0 H LEU A 26 -5.793 3.204 -3.396 1.00 42.22 H new ATOM 0 HA LEU A 26 -5.628 1.178 -5.336 1.00 40.10 H new ATOM 0 HB2 LEU A 26 -3.543 3.100 -4.240 1.00 75.33 H new ATOM 0 HB3 LEU A 26 -3.334 2.129 -5.683 1.00 75.33 H new ATOM 0 HG LEU A 26 -5.370 4.329 -5.251 1.00 15.43 H new ATOM 0 HD11 LEU A 26 -4.069 5.424 -7.117 1.00 41.14 H new ATOM 0 HD12 LEU A 26 -3.029 5.074 -5.716 1.00 41.14 H new ATOM 0 HD13 LEU A 26 -2.975 4.021 -7.150 1.00 41.14 H new ATOM 0 HD21 LEU A 26 -6.020 4.050 -7.618 1.00 31.41 H new ATOM 0 HD22 LEU A 26 -4.981 2.609 -7.727 1.00 31.41 H new ATOM 0 HD23 LEU A 26 -6.397 2.607 -6.648 1.00 31.41 H new ATOM 397 N VAL A 27 -4.026 0.507 -2.546 1.00 54.52 N ATOM 398 CA VAL A 27 -3.452 -0.621 -1.822 1.00 23.41 C ATOM 399 C VAL A 27 -4.471 -1.761 -1.788 1.00 74.11 C ATOM 400 O VAL A 27 -4.141 -2.891 -2.146 1.00 53.11 O ATOM 401 CB VAL A 27 -2.980 -0.130 -0.439 1.00 44.10 C ATOM 402 CG1 VAL A 27 -2.673 -1.242 0.574 1.00 63.40 C ATOM 403 CG2 VAL A 27 -1.752 0.766 -0.656 1.00 72.34 C ATOM 0 H VAL A 27 -4.200 1.331 -1.970 1.00 54.52 H new ATOM 0 HA VAL A 27 -2.570 -1.027 -2.317 1.00 23.41 H new ATOM 0 HB VAL A 27 -3.807 0.418 0.013 1.00 44.10 H new ATOM 0 HG11 VAL A 27 -2.349 -0.798 1.515 1.00 63.40 H new ATOM 0 HG12 VAL A 27 -3.570 -1.837 0.744 1.00 63.40 H new ATOM 0 HG13 VAL A 27 -1.882 -1.882 0.183 1.00 63.40 H new ATOM 0 HG21 VAL A 27 -1.393 1.131 0.306 1.00 72.34 H new ATOM 0 HG22 VAL A 27 -0.964 0.192 -1.143 1.00 72.34 H new ATOM 0 HG23 VAL A 27 -2.026 1.613 -1.285 1.00 72.34 H new ATOM 413 N TRP A 28 -5.713 -1.479 -1.401 1.00 73.44 N ATOM 414 CA TRP A 28 -6.760 -2.480 -1.261 1.00 15.52 C ATOM 415 C TRP A 28 -7.019 -3.246 -2.573 1.00 22.25 C ATOM 416 O TRP A 28 -7.100 -4.485 -2.559 1.00 4.54 O ATOM 417 CB TRP A 28 -8.015 -1.778 -0.729 1.00 41.23 C ATOM 418 CG TRP A 28 -7.897 -1.030 0.575 1.00 32.52 C ATOM 419 CD1 TRP A 28 -6.939 -1.180 1.525 1.00 43.34 C ATOM 420 CD2 TRP A 28 -8.820 -0.033 1.111 1.00 61.23 C ATOM 421 NE1 TRP A 28 -7.197 -0.342 2.594 1.00 72.32 N ATOM 422 CE2 TRP A 28 -8.360 0.367 2.400 1.00 75.23 C ATOM 423 CE3 TRP A 28 -10.034 0.532 0.662 1.00 24.13 C ATOM 424 CZ2 TRP A 28 -9.093 1.235 3.221 1.00 10.03 C ATOM 425 CZ3 TRP A 28 -10.776 1.410 1.474 1.00 22.20 C ATOM 426 CH2 TRP A 28 -10.317 1.744 2.760 1.00 75.55 C ATOM 0 H TRP A 28 -6.022 -0.534 -1.173 1.00 73.44 H new ATOM 0 HA TRP A 28 -6.445 -3.246 -0.552 1.00 15.52 H new ATOM 0 HB2 TRP A 28 -8.355 -1.075 -1.490 1.00 41.23 H new ATOM 0 HB3 TRP A 28 -8.797 -2.529 -0.616 1.00 41.23 H new ATOM 0 HD1 TRP A 28 -6.099 -1.855 1.456 1.00 43.34 H new ATOM 0 HE1 TRP A 28 -6.603 -0.260 3.419 1.00 72.32 H new ATOM 0 HE3 TRP A 28 -10.400 0.285 -0.324 1.00 24.13 H new ATOM 0 HZ2 TRP A 28 -8.720 1.509 4.197 1.00 10.03 H new ATOM 0 HZ3 TRP A 28 -11.702 1.829 1.108 1.00 22.20 H new ATOM 0 HH2 TRP A 28 -10.906 2.392 3.393 1.00 75.55 H new ATOM 437 N GLN A 29 -7.098 -2.550 -3.717 1.00 73.12 N ATOM 438 CA GLN A 29 -7.282 -3.212 -5.014 1.00 62.44 C ATOM 439 C GLN A 29 -6.106 -4.143 -5.346 1.00 4.54 C ATOM 440 O GLN A 29 -6.336 -5.247 -5.840 1.00 1.34 O ATOM 441 CB GLN A 29 -7.552 -2.213 -6.159 1.00 14.10 C ATOM 442 CG GLN A 29 -6.539 -1.083 -6.264 1.00 53.12 C ATOM 443 CD GLN A 29 -6.542 -0.343 -7.593 1.00 52.52 C ATOM 444 OE1 GLN A 29 -5.511 -0.230 -8.257 1.00 33.11 O ATOM 445 NE2 GLN A 29 -7.682 0.177 -8.005 1.00 42.24 N ATOM 0 H GLN A 29 -7.037 -1.533 -3.769 1.00 73.12 H new ATOM 0 HA GLN A 29 -8.177 -3.827 -4.921 1.00 62.44 H new ATOM 0 HB2 GLN A 29 -7.568 -2.758 -7.103 1.00 14.10 H new ATOM 0 HB3 GLN A 29 -8.544 -1.783 -6.022 1.00 14.10 H new ATOM 0 HG2 GLN A 29 -6.731 -0.367 -5.465 1.00 53.12 H new ATOM 0 HG3 GLN A 29 -5.543 -1.491 -6.094 1.00 53.12 H new ATOM 0 HE21 GLN A 29 -8.524 0.072 -7.440 1.00 42.24 H new ATOM 0 HE22 GLN A 29 -7.721 0.684 -8.889 1.00 42.24 H new ATOM 454 N ALA A 30 -4.862 -3.723 -5.079 1.00 32.22 N ATOM 455 CA ALA A 30 -3.654 -4.507 -5.357 1.00 11.11 C ATOM 456 C ALA A 30 -3.682 -5.861 -4.653 1.00 0.21 C ATOM 457 O ALA A 30 -3.185 -6.839 -5.221 1.00 52.44 O ATOM 458 CB ALA A 30 -2.406 -3.723 -4.948 1.00 41.40 C ATOM 0 H ALA A 30 -4.665 -2.815 -4.658 1.00 32.22 H new ATOM 0 HA ALA A 30 -3.624 -4.694 -6.430 1.00 11.11 H new ATOM 0 HB1 ALA A 30 -1.517 -4.317 -5.160 1.00 41.40 H new ATOM 0 HB2 ALA A 30 -2.362 -2.790 -5.510 1.00 41.40 H new ATOM 0 HB3 ALA A 30 -2.449 -3.502 -3.882 1.00 41.40 H new ATOM 464 N LEU A 31 -4.248 -5.948 -3.442 1.00 54.45 N ATOM 465 CA LEU A 31 -4.470 -7.240 -2.799 1.00 43.54 C ATOM 466 C LEU A 31 -5.507 -8.014 -3.594 1.00 70.42 C ATOM 467 O LEU A 31 -5.237 -9.150 -3.984 1.00 64.42 O ATOM 468 CB LEU A 31 -4.900 -7.128 -1.322 1.00 62.14 C ATOM 469 CG LEU A 31 -3.793 -6.852 -0.286 1.00 11.50 C ATOM 470 CD1 LEU A 31 -2.532 -7.666 -0.538 1.00 75.33 C ATOM 471 CD2 LEU A 31 -3.475 -5.366 -0.213 1.00 50.31 C ATOM 0 H LEU A 31 -4.557 -5.144 -2.896 1.00 54.45 H new ATOM 0 HA LEU A 31 -3.516 -7.768 -2.792 1.00 43.54 H new ATOM 0 HB2 LEU A 31 -5.641 -6.332 -1.245 1.00 62.14 H new ATOM 0 HB3 LEU A 31 -5.399 -8.056 -1.044 1.00 62.14 H new ATOM 0 HG LEU A 31 -4.183 -7.173 0.680 1.00 11.50 H new ATOM 0 HD11 LEU A 31 -1.788 -7.430 0.223 1.00 75.33 H new ATOM 0 HD12 LEU A 31 -2.770 -8.729 -0.495 1.00 75.33 H new ATOM 0 HD13 LEU A 31 -2.133 -7.424 -1.523 1.00 75.33 H new ATOM 0 HD21 LEU A 31 -2.691 -5.198 0.525 1.00 50.31 H new ATOM 0 HD22 LEU A 31 -3.136 -5.018 -1.189 1.00 50.31 H new ATOM 0 HD23 LEU A 31 -4.370 -4.816 0.077 1.00 50.31 H new ATOM 483 N GLY A 32 -6.660 -7.404 -3.874 1.00 73.34 N ATOM 484 CA GLY A 32 -7.685 -7.992 -4.732 1.00 12.33 C ATOM 485 C GLY A 32 -9.037 -8.165 -4.055 1.00 22.12 C ATOM 486 O GLY A 32 -9.845 -8.948 -4.540 1.00 75.33 O ATOM 0 H GLY A 32 -6.908 -6.484 -3.509 1.00 73.34 H new ATOM 0 HA2 GLY A 32 -7.810 -7.364 -5.614 1.00 12.33 H new ATOM 0 HA3 GLY A 32 -7.338 -8.965 -5.080 1.00 12.33 H new ATOM 490 N TYR A 33 -9.288 -7.485 -2.935 1.00 74.14 N ATOM 491 CA TYR A 33 -10.592 -7.541 -2.287 1.00 11.14 C ATOM 492 C TYR A 33 -11.667 -7.002 -3.229 1.00 32.34 C ATOM 493 O TYR A 33 -12.633 -7.688 -3.490 1.00 61.11 O ATOM 494 CB TYR A 33 -10.553 -6.766 -0.975 1.00 22.52 C ATOM 495 CG TYR A 33 -9.665 -7.395 0.081 1.00 34.04 C ATOM 496 CD1 TYR A 33 -8.317 -7.007 0.189 1.00 63.13 C ATOM 497 CD2 TYR A 33 -10.212 -8.300 1.014 1.00 42.54 C ATOM 498 CE1 TYR A 33 -7.510 -7.548 1.204 1.00 12.22 C ATOM 499 CE2 TYR A 33 -9.419 -8.811 2.058 1.00 40.54 C ATOM 500 CZ TYR A 33 -8.054 -8.452 2.142 1.00 40.34 C ATOM 501 OH TYR A 33 -7.252 -8.936 3.125 1.00 65.15 O ATOM 0 H TYR A 33 -8.606 -6.892 -2.462 1.00 74.14 H new ATOM 0 HA TYR A 33 -10.841 -8.577 -2.056 1.00 11.14 H new ATOM 0 HB2 TYR A 33 -10.204 -5.752 -1.173 1.00 22.52 H new ATOM 0 HB3 TYR A 33 -11.566 -6.684 -0.582 1.00 22.52 H new ATOM 0 HD1 TYR A 33 -7.903 -6.294 -0.508 1.00 63.13 H new ATOM 0 HD2 TYR A 33 -11.245 -8.602 0.927 1.00 42.54 H new ATOM 0 HE1 TYR A 33 -6.468 -7.271 1.267 1.00 12.22 H new ATOM 0 HE2 TYR A 33 -9.851 -9.475 2.792 1.00 40.54 H new ATOM 0 HH TYR A 33 -7.531 -9.846 3.357 1.00 65.15 H new ATOM 511 N VAL A 34 -11.447 -5.841 -3.840 1.00 11.41 N ATOM 512 CA VAL A 34 -12.326 -5.160 -4.778 1.00 35.00 C ATOM 513 C VAL A 34 -13.741 -4.924 -4.220 1.00 32.22 C ATOM 514 O VAL A 34 -14.543 -5.843 -4.049 1.00 21.23 O ATOM 515 CB VAL A 34 -12.309 -5.908 -6.120 1.00 32.45 C ATOM 516 CG1 VAL A 34 -13.181 -5.187 -7.151 1.00 64.25 C ATOM 517 CG2 VAL A 34 -10.887 -6.031 -6.685 1.00 25.22 C ATOM 0 H VAL A 34 -10.587 -5.316 -3.679 1.00 11.41 H new ATOM 0 HA VAL A 34 -11.944 -4.153 -4.946 1.00 35.00 H new ATOM 0 HB VAL A 34 -12.702 -6.906 -5.929 1.00 32.45 H new ATOM 0 HG11 VAL A 34 -13.155 -5.733 -8.094 1.00 64.25 H new ATOM 0 HG12 VAL A 34 -14.208 -5.137 -6.788 1.00 64.25 H new ATOM 0 HG13 VAL A 34 -12.802 -4.177 -7.306 1.00 64.25 H new ATOM 0 HG21 VAL A 34 -10.918 -6.566 -7.634 1.00 25.22 H new ATOM 0 HG22 VAL A 34 -10.471 -5.036 -6.842 1.00 25.22 H new ATOM 0 HG23 VAL A 34 -10.261 -6.579 -5.980 1.00 25.22 H new ATOM 527 N TRP A 35 -14.066 -3.656 -3.973 1.00 61.33 N ATOM 528 CA TRP A 35 -15.430 -3.206 -3.751 1.00 62.11 C ATOM 529 C TRP A 35 -16.248 -3.484 -5.010 1.00 52.42 C ATOM 530 O TRP A 35 -16.114 -2.766 -6.008 1.00 55.04 O ATOM 531 CB TRP A 35 -15.420 -1.718 -3.389 1.00 75.41 C ATOM 532 CG TRP A 35 -16.768 -1.115 -3.152 1.00 50.43 C ATOM 533 CD1 TRP A 35 -17.574 -0.588 -4.103 1.00 24.31 C ATOM 534 CD2 TRP A 35 -17.562 -1.161 -1.933 1.00 10.53 C ATOM 535 NE1 TRP A 35 -18.804 -0.291 -3.557 1.00 53.15 N ATOM 536 CE2 TRP A 35 -18.880 -0.708 -2.246 1.00 24.35 C ATOM 537 CE3 TRP A 35 -17.362 -1.745 -0.662 1.00 3.22 C ATOM 538 CZ2 TRP A 35 -19.945 -0.854 -1.348 1.00 5.51 C ATOM 539 CZ3 TRP A 35 -18.414 -1.837 0.266 1.00 32.35 C ATOM 540 CH2 TRP A 35 -19.705 -1.400 -0.077 1.00 62.22 C ATOM 0 H TRP A 35 -13.377 -2.906 -3.922 1.00 61.33 H new ATOM 0 HA TRP A 35 -15.889 -3.744 -2.921 1.00 62.11 H new ATOM 0 HB2 TRP A 35 -14.815 -1.582 -2.492 1.00 75.41 H new ATOM 0 HB3 TRP A 35 -14.929 -1.168 -4.191 1.00 75.41 H new ATOM 0 HD1 TRP A 35 -17.295 -0.425 -5.134 1.00 24.31 H new ATOM 0 HE1 TRP A 35 -19.560 0.177 -4.058 1.00 53.15 H new ATOM 0 HE3 TRP A 35 -16.386 -2.126 -0.399 1.00 3.22 H new ATOM 0 HZ2 TRP A 35 -20.942 -0.549 -1.631 1.00 5.51 H new ATOM 0 HZ3 TRP A 35 -18.229 -2.246 1.248 1.00 32.35 H new ATOM 0 HH2 TRP A 35 -20.512 -1.484 0.636 1.00 62.22 H new ATOM 551 N ASP A 36 -17.068 -4.533 -4.993 1.00 74.42 N ATOM 552 CA ASP A 36 -18.096 -4.762 -6.005 1.00 44.10 C ATOM 553 C ASP A 36 -19.374 -4.073 -5.566 1.00 33.21 C ATOM 554 O ASP A 36 -20.139 -4.578 -4.745 1.00 30.21 O ATOM 555 CB ASP A 36 -18.307 -6.254 -6.307 1.00 63.41 C ATOM 556 CG ASP A 36 -17.884 -6.623 -7.742 1.00 41.11 C ATOM 557 OD1 ASP A 36 -17.054 -5.919 -8.371 1.00 73.35 O ATOM 558 OD2 ASP A 36 -18.271 -7.702 -8.226 1.00 45.33 O ATOM 0 H ASP A 36 -17.037 -5.253 -4.271 1.00 74.42 H new ATOM 0 HA ASP A 36 -17.764 -4.330 -6.949 1.00 44.10 H new ATOM 0 HB2 ASP A 36 -17.735 -6.851 -5.597 1.00 63.41 H new ATOM 0 HB3 ASP A 36 -19.357 -6.507 -6.163 1.00 63.41 H new ATOM 563 N GLU A 37 -19.604 -2.883 -6.106 1.00 64.04 N ATOM 564 CA GLU A 37 -20.792 -2.069 -5.878 1.00 5.13 C ATOM 565 C GLU A 37 -22.075 -2.859 -6.165 1.00 72.11 C ATOM 566 O GLU A 37 -23.050 -2.743 -5.427 1.00 2.02 O ATOM 567 CB GLU A 37 -20.653 -0.838 -6.776 1.00 70.44 C ATOM 568 CG GLU A 37 -21.790 0.185 -6.695 1.00 45.41 C ATOM 569 CD GLU A 37 -21.502 1.320 -7.681 1.00 14.24 C ATOM 570 OE1 GLU A 37 -20.601 2.139 -7.393 1.00 55.43 O ATOM 571 OE2 GLU A 37 -22.072 1.308 -8.800 1.00 74.02 O ATOM 0 H GLU A 37 -18.940 -2.440 -6.741 1.00 64.04 H new ATOM 0 HA GLU A 37 -20.870 -1.767 -4.833 1.00 5.13 H new ATOM 0 HB2 GLU A 37 -19.719 -0.334 -6.526 1.00 70.44 H new ATOM 0 HB3 GLU A 37 -20.567 -1.175 -7.809 1.00 70.44 H new ATOM 0 HG2 GLU A 37 -22.742 -0.289 -6.933 1.00 45.41 H new ATOM 0 HG3 GLU A 37 -21.874 0.577 -5.681 1.00 45.41 H new ATOM 578 N ALA A 38 -22.040 -3.749 -7.160 1.00 43.11 N ATOM 579 CA ALA A 38 -23.170 -4.566 -7.596 1.00 72.31 C ATOM 580 C ALA A 38 -23.592 -5.570 -6.525 1.00 74.24 C ATOM 581 O ALA A 38 -24.711 -6.076 -6.563 1.00 74.21 O ATOM 582 CB ALA A 38 -22.790 -5.334 -8.866 1.00 63.24 C ATOM 0 H ALA A 38 -21.194 -3.925 -7.702 1.00 43.11 H new ATOM 0 HA ALA A 38 -24.006 -3.893 -7.787 1.00 72.31 H new ATOM 0 HB1 ALA A 38 -23.634 -5.943 -9.189 1.00 63.24 H new ATOM 0 HB2 ALA A 38 -22.529 -4.628 -9.654 1.00 63.24 H new ATOM 0 HB3 ALA A 38 -21.936 -5.979 -8.659 1.00 63.24 H new ATOM 588 N GLN A 39 -22.695 -5.861 -5.583 1.00 11.14 N ATOM 589 CA GLN A 39 -22.925 -6.726 -4.441 1.00 72.43 C ATOM 590 C GLN A 39 -22.905 -5.915 -3.135 1.00 71.44 C ATOM 591 O GLN A 39 -23.180 -6.469 -2.078 1.00 73.22 O ATOM 592 CB GLN A 39 -21.858 -7.832 -4.432 1.00 45.22 C ATOM 593 CG GLN A 39 -21.959 -8.772 -5.634 1.00 74.43 C ATOM 594 CD GLN A 39 -20.857 -9.826 -5.639 1.00 61.43 C ATOM 595 OE1 GLN A 39 -20.918 -10.823 -4.927 1.00 63.44 O ATOM 596 NE2 GLN A 39 -19.797 -9.636 -6.409 1.00 43.40 N ATOM 0 H GLN A 39 -21.749 -5.480 -5.602 1.00 11.14 H new ATOM 0 HA GLN A 39 -23.910 -7.186 -4.519 1.00 72.43 H new ATOM 0 HB2 GLN A 39 -20.869 -7.374 -4.418 1.00 45.22 H new ATOM 0 HB3 GLN A 39 -21.953 -8.413 -3.515 1.00 45.22 H new ATOM 0 HG2 GLN A 39 -22.931 -9.266 -5.626 1.00 74.43 H new ATOM 0 HG3 GLN A 39 -21.905 -8.189 -6.554 1.00 74.43 H new ATOM 0 HE21 GLN A 39 -19.740 -8.809 -7.003 1.00 43.40 H new ATOM 0 HE22 GLN A 39 -19.037 -10.317 -6.408 1.00 43.40 H new ATOM 605 N SER A 40 -22.533 -4.627 -3.195 1.00 1.25 N ATOM 606 CA SER A 40 -22.182 -3.759 -2.080 1.00 3.15 C ATOM 607 C SER A 40 -21.260 -4.454 -1.071 1.00 64.24 C ATOM 608 O SER A 40 -21.279 -4.108 0.109 1.00 33.32 O ATOM 609 CB SER A 40 -23.406 -3.048 -1.486 1.00 71.43 C ATOM 610 OG SER A 40 -24.388 -3.934 -0.990 1.00 52.45 O ATOM 0 H SER A 40 -22.468 -4.139 -4.088 1.00 1.25 H new ATOM 0 HA SER A 40 -21.573 -2.943 -2.469 1.00 3.15 H new ATOM 0 HB2 SER A 40 -23.079 -2.392 -0.679 1.00 71.43 H new ATOM 0 HB3 SER A 40 -23.854 -2.413 -2.251 1.00 71.43 H new ATOM 0 HG SER A 40 -24.108 -4.858 -1.155 1.00 52.45 H new ATOM 616 N CYS A 41 -20.454 -5.429 -1.513 1.00 3.12 N ATOM 617 CA CYS A 41 -19.549 -6.147 -0.627 1.00 4.54 C ATOM 618 C CYS A 41 -18.184 -6.300 -1.280 1.00 52.31 C ATOM 619 O CYS A 41 -18.058 -6.427 -2.504 1.00 14.42 O ATOM 620 CB CYS A 41 -20.105 -7.531 -0.271 1.00 63.05 C ATOM 621 SG CYS A 41 -21.709 -7.423 0.575 1.00 60.00 S ATOM 0 H CYS A 41 -20.416 -5.734 -2.485 1.00 3.12 H new ATOM 0 HA CYS A 41 -19.450 -5.566 0.290 1.00 4.54 H new ATOM 0 HB2 CYS A 41 -20.214 -8.123 -1.180 1.00 63.05 H new ATOM 0 HB3 CYS A 41 -19.393 -8.055 0.367 1.00 63.05 H new ATOM 0 HG CYS A 41 -22.618 -7.030 -0.267 1.00 60.00 H new ATOM 627 N TRP A 42 -17.171 -6.377 -0.428 1.00 12.44 N ATOM 628 CA TRP A 42 -15.809 -6.667 -0.809 1.00 12.21 C ATOM 629 C TRP A 42 -15.812 -8.092 -1.362 1.00 23.32 C ATOM 630 O TRP A 42 -16.344 -8.998 -0.707 1.00 73.41 O ATOM 631 CB TRP A 42 -14.941 -6.542 0.448 1.00 42.41 C ATOM 632 CG TRP A 42 -14.962 -5.177 1.085 1.00 31.11 C ATOM 633 CD1 TRP A 42 -15.569 -4.827 2.249 1.00 61.14 C ATOM 634 CD2 TRP A 42 -14.358 -3.951 0.578 1.00 43.51 C ATOM 635 NE1 TRP A 42 -15.405 -3.475 2.471 1.00 23.14 N ATOM 636 CE2 TRP A 42 -14.657 -2.887 1.477 1.00 23.24 C ATOM 637 CE3 TRP A 42 -13.584 -3.628 -0.555 1.00 71.13 C ATOM 638 CZ2 TRP A 42 -14.217 -1.576 1.259 1.00 1.23 C ATOM 639 CZ3 TRP A 42 -13.094 -2.323 -0.757 1.00 63.33 C ATOM 640 CH2 TRP A 42 -13.416 -1.293 0.143 1.00 65.35 C ATOM 0 H TRP A 42 -17.285 -6.234 0.575 1.00 12.44 H new ATOM 0 HA TRP A 42 -15.413 -5.988 -1.564 1.00 12.21 H new ATOM 0 HB2 TRP A 42 -15.276 -7.277 1.180 1.00 42.41 H new ATOM 0 HB3 TRP A 42 -13.912 -6.794 0.191 1.00 42.41 H new ATOM 0 HD1 TRP A 42 -16.100 -5.504 2.902 1.00 61.14 H new ATOM 0 HE1 TRP A 42 -15.790 -2.974 3.272 1.00 23.14 H new ATOM 0 HE3 TRP A 42 -13.363 -4.396 -1.282 1.00 71.13 H new ATOM 0 HZ2 TRP A 42 -14.492 -0.789 1.945 1.00 1.23 H new ATOM 0 HZ3 TRP A 42 -12.466 -2.112 -1.610 1.00 63.33 H new ATOM 0 HH2 TRP A 42 -13.049 -0.291 -0.023 1.00 65.35 H new ATOM 651 N LYS A 43 -15.270 -8.326 -2.556 1.00 54.01 N ATOM 652 CA LYS A 43 -15.004 -9.697 -2.989 1.00 41.14 C ATOM 653 C LYS A 43 -13.816 -10.228 -2.201 1.00 24.41 C ATOM 654 O LYS A 43 -13.159 -9.486 -1.466 1.00 72.03 O ATOM 655 CB LYS A 43 -14.778 -9.750 -4.505 1.00 74.12 C ATOM 656 CG LYS A 43 -16.097 -9.440 -5.204 1.00 53.32 C ATOM 657 CD LYS A 43 -15.981 -9.581 -6.712 1.00 53.25 C ATOM 658 CE LYS A 43 -15.193 -8.396 -7.268 1.00 13.31 C ATOM 659 NZ LYS A 43 -15.427 -8.278 -8.714 1.00 74.11 N ATOM 0 H LYS A 43 -15.011 -7.603 -3.227 1.00 54.01 H new ATOM 0 HA LYS A 43 -15.864 -10.336 -2.788 1.00 41.14 H new ATOM 0 HB2 LYS A 43 -14.015 -9.029 -4.799 1.00 74.12 H new ATOM 0 HB3 LYS A 43 -14.416 -10.735 -4.799 1.00 74.12 H new ATOM 0 HG2 LYS A 43 -16.871 -10.112 -4.834 1.00 53.32 H new ATOM 0 HG3 LYS A 43 -16.410 -8.426 -4.956 1.00 53.32 H new ATOM 0 HD2 LYS A 43 -15.481 -10.516 -6.964 1.00 53.25 H new ATOM 0 HD3 LYS A 43 -16.973 -9.618 -7.163 1.00 53.25 H new ATOM 0 HE2 LYS A 43 -15.496 -7.478 -6.765 1.00 13.31 H new ATOM 0 HE3 LYS A 43 -14.129 -8.531 -7.072 1.00 13.31 H new ATOM 0 HZ1 LYS A 43 -14.526 -8.387 -9.222 1.00 74.11 H new ATOM 0 HZ2 LYS A 43 -16.089 -9.019 -9.020 1.00 74.11 H new ATOM 0 HZ3 LYS A 43 -15.832 -7.344 -8.925 1.00 74.11 H new ATOM 673 N THR A 44 -13.493 -11.507 -2.381 1.00 32.51 N ATOM 674 CA THR A 44 -12.157 -11.973 -2.044 1.00 2.40 C ATOM 675 C THR A 44 -11.566 -12.915 -3.097 1.00 2.33 C ATOM 676 O THR A 44 -10.435 -13.367 -2.953 1.00 14.12 O ATOM 677 CB THR A 44 -12.102 -12.537 -0.618 1.00 10.14 C ATOM 678 OG1 THR A 44 -12.538 -13.873 -0.500 1.00 15.03 O ATOM 679 CG2 THR A 44 -12.749 -11.711 0.476 1.00 65.22 C ATOM 0 H THR A 44 -14.122 -12.221 -2.749 1.00 32.51 H new ATOM 0 HA THR A 44 -11.503 -11.101 -2.057 1.00 2.40 H new ATOM 0 HB THR A 44 -11.027 -12.488 -0.445 1.00 10.14 H new ATOM 0 HG1 THR A 44 -12.471 -14.158 0.435 1.00 15.03 H new ATOM 0 HG21 THR A 44 -12.639 -12.223 1.432 1.00 65.22 H new ATOM 0 HG22 THR A 44 -12.266 -10.735 0.529 1.00 65.22 H new ATOM 0 HG23 THR A 44 -13.808 -11.580 0.255 1.00 65.22 H new ATOM 687 N ASP A 45 -12.265 -13.185 -4.200 1.00 34.23 N ATOM 688 CA ASP A 45 -11.808 -14.166 -5.189 1.00 2.51 C ATOM 689 C ASP A 45 -10.492 -13.734 -5.807 1.00 74.25 C ATOM 690 O ASP A 45 -9.695 -14.574 -6.219 1.00 20.14 O ATOM 691 CB ASP A 45 -12.811 -14.244 -6.339 1.00 3.12 C ATOM 692 CG ASP A 45 -13.903 -15.301 -6.181 1.00 63.24 C ATOM 693 OD1 ASP A 45 -13.748 -16.266 -5.396 1.00 24.35 O ATOM 694 OD2 ASP A 45 -14.889 -15.214 -6.949 1.00 70.41 O ATOM 0 H ASP A 45 -13.152 -12.738 -4.433 1.00 34.23 H new ATOM 0 HA ASP A 45 -11.702 -15.121 -4.675 1.00 2.51 H new ATOM 0 HB2 ASP A 45 -13.285 -13.269 -6.453 1.00 3.12 H new ATOM 0 HB3 ASP A 45 -12.266 -14.443 -7.262 1.00 3.12 H new ATOM 699 N LEU A 46 -10.296 -12.418 -5.918 1.00 72.31 N ATOM 700 CA LEU A 46 -9.181 -11.857 -6.641 1.00 21.10 C ATOM 701 C LEU A 46 -7.986 -11.622 -5.711 1.00 32.14 C ATOM 702 O LEU A 46 -6.993 -11.036 -6.154 1.00 21.04 O ATOM 703 CB LEU A 46 -9.555 -10.585 -7.429 1.00 5.30 C ATOM 704 CG LEU A 46 -10.894 -10.580 -8.196 1.00 65.43 C ATOM 705 CD1 LEU A 46 -12.103 -10.227 -7.312 1.00 42.10 C ATOM 706 CD2 LEU A 46 -10.842 -9.518 -9.301 1.00 11.12 C ATOM 0 H LEU A 46 -10.914 -11.720 -5.504 1.00 72.31 H new ATOM 0 HA LEU A 46 -8.886 -12.594 -7.388 1.00 21.10 H new ATOM 0 HB2 LEU A 46 -9.567 -9.749 -6.729 1.00 5.30 H new ATOM 0 HB3 LEU A 46 -8.758 -10.389 -8.146 1.00 5.30 H new ATOM 0 HG LEU A 46 -11.022 -11.591 -8.582 1.00 65.43 H new ATOM 0 HD11 LEU A 46 -13.011 -10.242 -7.915 1.00 42.10 H new ATOM 0 HD12 LEU A 46 -12.190 -10.956 -6.507 1.00 42.10 H new ATOM 0 HD13 LEU A 46 -11.965 -9.232 -6.888 1.00 42.10 H new ATOM 0 HD21 LEU A 46 -11.787 -9.512 -9.845 1.00 11.12 H new ATOM 0 HD22 LEU A 46 -10.673 -8.538 -8.856 1.00 11.12 H new ATOM 0 HD23 LEU A 46 -10.029 -9.749 -9.989 1.00 11.12 H new ATOM 718 N VAL A 47 -8.092 -12.011 -4.434 1.00 54.41 N ATOM 719 CA VAL A 47 -7.070 -11.839 -3.400 1.00 23.34 C ATOM 720 C VAL A 47 -6.512 -13.183 -2.924 1.00 22.43 C ATOM 721 O VAL A 47 -7.167 -14.219 -3.003 1.00 21.11 O ATOM 722 CB VAL A 47 -7.537 -10.829 -2.316 1.00 64.01 C ATOM 723 CG1 VAL A 47 -8.956 -10.935 -1.811 1.00 73.20 C ATOM 724 CG2 VAL A 47 -6.613 -10.705 -1.093 1.00 25.12 C ATOM 0 H VAL A 47 -8.929 -12.474 -4.081 1.00 54.41 H new ATOM 0 HA VAL A 47 -6.187 -11.358 -3.821 1.00 23.34 H new ATOM 0 HB VAL A 47 -7.483 -9.927 -2.925 1.00 64.01 H new ATOM 0 HG11 VAL A 47 -9.133 -10.165 -1.060 1.00 73.20 H new ATOM 0 HG12 VAL A 47 -9.649 -10.798 -2.641 1.00 73.20 H new ATOM 0 HG13 VAL A 47 -9.112 -11.918 -1.367 1.00 73.20 H new ATOM 0 HG21 VAL A 47 -7.027 -9.976 -0.396 1.00 25.12 H new ATOM 0 HG22 VAL A 47 -6.531 -11.673 -0.599 1.00 25.12 H new ATOM 0 HG23 VAL A 47 -5.625 -10.378 -1.415 1.00 25.12 H new ATOM 734 N ALA A 48 -5.258 -13.177 -2.458 1.00 63.30 N ATOM 735 CA ALA A 48 -4.582 -14.371 -1.972 1.00 42.00 C ATOM 736 C ALA A 48 -5.293 -14.884 -0.715 1.00 12.43 C ATOM 737 O ALA A 48 -5.720 -14.055 0.100 1.00 41.12 O ATOM 738 CB ALA A 48 -3.125 -14.029 -1.645 1.00 5.24 C ATOM 0 H ALA A 48 -4.685 -12.334 -2.410 1.00 63.30 H new ATOM 0 HA ALA A 48 -4.607 -15.146 -2.738 1.00 42.00 H new ATOM 0 HB1 ALA A 48 -2.615 -14.921 -1.281 1.00 5.24 H new ATOM 0 HB2 ALA A 48 -2.626 -13.667 -2.544 1.00 5.24 H new ATOM 0 HB3 ALA A 48 -3.096 -13.255 -0.878 1.00 5.24 H new ATOM 744 N PRO A 49 -5.372 -16.208 -0.494 1.00 2.30 N ATOM 745 CA PRO A 49 -6.052 -16.769 0.666 1.00 22.14 C ATOM 746 C PRO A 49 -5.423 -16.281 1.971 1.00 75.43 C ATOM 747 O PRO A 49 -6.163 -15.955 2.897 1.00 12.51 O ATOM 748 CB PRO A 49 -6.012 -18.291 0.501 1.00 2.22 C ATOM 749 CG PRO A 49 -4.834 -18.518 -0.441 1.00 52.25 C ATOM 750 CD PRO A 49 -4.842 -17.275 -1.330 1.00 41.20 C ATOM 0 HA PRO A 49 -7.089 -16.437 0.724 1.00 22.14 H new ATOM 0 HB2 PRO A 49 -5.864 -18.794 1.457 1.00 2.22 H new ATOM 0 HB3 PRO A 49 -6.942 -18.673 0.080 1.00 2.22 H new ATOM 0 HG2 PRO A 49 -3.896 -18.614 0.106 1.00 52.25 H new ATOM 0 HG3 PRO A 49 -4.957 -19.430 -1.025 1.00 52.25 H new ATOM 0 HD2 PRO A 49 -3.838 -17.037 -1.682 1.00 41.20 H new ATOM 0 HD3 PRO A 49 -5.462 -17.427 -2.213 1.00 41.20 H new ATOM 758 N GLU A 50 -4.094 -16.106 2.022 1.00 13.13 N ATOM 759 CA GLU A 50 -3.425 -15.621 3.219 1.00 3.24 C ATOM 760 C GLU A 50 -3.887 -14.212 3.595 1.00 61.52 C ATOM 761 O GLU A 50 -3.795 -13.836 4.763 1.00 75.43 O ATOM 762 CB GLU A 50 -1.893 -15.678 3.044 1.00 45.15 C ATOM 763 CG GLU A 50 -1.297 -14.618 2.096 1.00 73.04 C ATOM 764 CD GLU A 50 0.233 -14.673 1.962 1.00 53.32 C ATOM 765 OE1 GLU A 50 0.929 -15.190 2.871 1.00 41.11 O ATOM 766 OE2 GLU A 50 0.733 -14.085 0.976 1.00 4.23 O ATOM 0 H GLU A 50 -3.467 -16.296 1.240 1.00 13.13 H new ATOM 0 HA GLU A 50 -3.701 -16.278 4.044 1.00 3.24 H new ATOM 0 HB2 GLU A 50 -1.428 -15.568 4.024 1.00 45.15 H new ATOM 0 HB3 GLU A 50 -1.623 -16.666 2.672 1.00 45.15 H new ATOM 0 HG2 GLU A 50 -1.741 -14.742 1.108 1.00 73.04 H new ATOM 0 HG3 GLU A 50 -1.583 -13.628 2.452 1.00 73.04 H new ATOM 773 N TRP A 51 -4.360 -13.422 2.625 1.00 43.13 N ATOM 774 CA TRP A 51 -4.863 -12.088 2.892 1.00 74.22 C ATOM 775 C TRP A 51 -6.319 -12.141 3.336 1.00 31.32 C ATOM 776 O TRP A 51 -6.639 -11.608 4.397 1.00 12.14 O ATOM 777 CB TRP A 51 -4.597 -11.110 1.740 1.00 41.41 C ATOM 778 CG TRP A 51 -3.275 -10.405 1.852 1.00 1.22 C ATOM 779 CD1 TRP A 51 -2.104 -10.862 1.356 1.00 14.34 C ATOM 780 CD2 TRP A 51 -2.947 -9.161 2.560 1.00 32.24 C ATOM 781 NE1 TRP A 51 -1.082 -10.006 1.712 1.00 14.34 N ATOM 782 CE2 TRP A 51 -1.539 -8.941 2.466 1.00 63.02 C ATOM 783 CE3 TRP A 51 -3.685 -8.203 3.295 1.00 73.43 C ATOM 784 CZ2 TRP A 51 -0.909 -7.834 3.069 1.00 32.34 C ATOM 785 CZ3 TRP A 51 -3.061 -7.115 3.931 1.00 12.02 C ATOM 786 CH2 TRP A 51 -1.673 -6.934 3.828 1.00 33.41 C ATOM 0 H TRP A 51 -4.401 -13.695 1.643 1.00 43.13 H new ATOM 0 HA TRP A 51 -4.297 -11.676 3.728 1.00 74.22 H new ATOM 0 HB2 TRP A 51 -4.632 -11.653 0.796 1.00 41.41 H new ATOM 0 HB3 TRP A 51 -5.395 -10.368 1.711 1.00 41.41 H new ATOM 0 HD1 TRP A 51 -1.986 -11.761 0.770 1.00 14.34 H new ATOM 0 HE1 TRP A 51 -0.106 -10.143 1.450 1.00 14.34 H new ATOM 0 HE3 TRP A 51 -4.757 -8.310 3.370 1.00 73.43 H new ATOM 0 HZ2 TRP A 51 0.153 -7.679 2.948 1.00 32.34 H new ATOM 0 HZ3 TRP A 51 -3.653 -6.415 4.502 1.00 12.02 H new ATOM 0 HH2 TRP A 51 -1.195 -6.106 4.330 1.00 33.41 H new ATOM 797 N ARG A 52 -7.225 -12.767 2.577 1.00 11.43 N ATOM 798 CA ARG A 52 -8.636 -12.724 2.972 1.00 74.30 C ATOM 799 C ARG A 52 -8.946 -13.476 4.271 1.00 72.10 C ATOM 800 O ARG A 52 -9.976 -13.186 4.871 1.00 4.20 O ATOM 801 CB ARG A 52 -9.568 -13.151 1.838 1.00 35.20 C ATOM 802 CG ARG A 52 -9.313 -14.531 1.200 1.00 41.04 C ATOM 803 CD ARG A 52 -8.935 -14.316 -0.271 1.00 34.24 C ATOM 804 NE ARG A 52 -8.769 -15.526 -1.076 1.00 20.51 N ATOM 805 CZ ARG A 52 -9.743 -16.307 -1.550 1.00 30.23 C ATOM 806 NH1 ARG A 52 -11.007 -16.192 -1.151 1.00 74.23 N ATOM 807 NH2 ARG A 52 -9.435 -17.228 -2.442 1.00 20.42 N ATOM 0 H ARG A 52 -7.021 -13.287 1.724 1.00 11.43 H new ATOM 0 HA ARG A 52 -8.834 -11.674 3.187 1.00 74.30 H new ATOM 0 HB2 ARG A 52 -10.590 -13.137 2.217 1.00 35.20 H new ATOM 0 HB3 ARG A 52 -9.510 -12.399 1.051 1.00 35.20 H new ATOM 0 HG2 ARG A 52 -8.512 -15.051 1.726 1.00 41.04 H new ATOM 0 HG3 ARG A 52 -10.203 -15.156 1.276 1.00 41.04 H new ATOM 0 HD2 ARG A 52 -9.703 -13.697 -0.736 1.00 34.24 H new ATOM 0 HD3 ARG A 52 -8.004 -13.750 -0.307 1.00 34.24 H new ATOM 0 HE ARG A 52 -7.812 -15.801 -1.298 1.00 20.51 H new ATOM 0 HH11 ARG A 52 -11.261 -15.488 -0.459 1.00 74.23 H new ATOM 0 HH12 ARG A 52 -11.722 -16.808 -1.538 1.00 74.23 H new ATOM 0 HH21 ARG A 52 -8.470 -17.332 -2.755 1.00 20.42 H new ATOM 0 HH22 ARG A 52 -10.162 -17.837 -2.819 1.00 20.42 H new ATOM 821 N GLN A 53 -8.060 -14.374 4.709 1.00 63.32 N ATOM 822 CA GLN A 53 -8.272 -15.385 5.740 1.00 3.52 C ATOM 823 C GLN A 53 -8.965 -14.912 7.021 1.00 31.02 C ATOM 824 O GLN A 53 -9.705 -15.681 7.625 1.00 42.24 O ATOM 825 CB GLN A 53 -6.907 -16.025 6.077 1.00 13.44 C ATOM 826 CG GLN A 53 -6.994 -17.524 5.807 1.00 52.43 C ATOM 827 CD GLN A 53 -5.681 -18.291 5.960 1.00 42.32 C ATOM 828 OE1 GLN A 53 -4.619 -17.781 6.316 1.00 43.15 O ATOM 829 NE2 GLN A 53 -5.724 -19.589 5.739 1.00 75.10 N ATOM 0 H GLN A 53 -7.115 -14.414 4.326 1.00 63.32 H new ATOM 0 HA GLN A 53 -8.975 -16.101 5.315 1.00 3.52 H new ATOM 0 HB2 GLN A 53 -6.119 -15.577 5.472 1.00 13.44 H new ATOM 0 HB3 GLN A 53 -6.651 -15.843 7.121 1.00 13.44 H new ATOM 0 HG2 GLN A 53 -7.730 -17.957 6.485 1.00 52.43 H new ATOM 0 HG3 GLN A 53 -7.367 -17.673 4.794 1.00 52.43 H new ATOM 0 HE21 GLN A 53 -6.596 -20.027 5.443 1.00 75.10 H new ATOM 0 HE22 GLN A 53 -4.885 -20.156 5.863 1.00 75.10 H new ATOM 838 N ASP A 54 -8.701 -13.682 7.450 1.00 32.42 N ATOM 839 CA ASP A 54 -9.206 -13.109 8.705 1.00 42.23 C ATOM 840 C ASP A 54 -9.660 -11.658 8.505 1.00 23.22 C ATOM 841 O ASP A 54 -9.880 -10.921 9.466 1.00 43.02 O ATOM 842 CB ASP A 54 -8.111 -13.193 9.783 1.00 51.33 C ATOM 843 CG ASP A 54 -8.150 -14.510 10.545 1.00 53.01 C ATOM 844 OD1 ASP A 54 -9.125 -14.759 11.292 1.00 25.34 O ATOM 845 OD2 ASP A 54 -7.151 -15.260 10.484 1.00 3.21 O ATOM 0 H ASP A 54 -8.114 -13.034 6.924 1.00 32.42 H new ATOM 0 HA ASP A 54 -10.074 -13.683 9.030 1.00 42.23 H new ATOM 0 HB2 ASP A 54 -7.134 -13.076 9.315 1.00 51.33 H new ATOM 0 HB3 ASP A 54 -8.230 -12.367 10.484 1.00 51.33 H new ATOM 850 N TYR A 55 -9.751 -11.204 7.253 1.00 14.25 N ATOM 851 CA TYR A 55 -9.782 -9.787 6.916 1.00 0.52 C ATOM 852 C TYR A 55 -11.116 -9.490 6.232 1.00 63.50 C ATOM 853 O TYR A 55 -11.128 -9.381 5.003 1.00 24.20 O ATOM 854 CB TYR A 55 -8.593 -9.430 6.013 1.00 30.40 C ATOM 855 CG TYR A 55 -7.272 -9.321 6.743 1.00 4.32 C ATOM 856 CD1 TYR A 55 -6.734 -10.428 7.423 1.00 5.24 C ATOM 857 CD2 TYR A 55 -6.575 -8.099 6.764 1.00 20.10 C ATOM 858 CE1 TYR A 55 -5.571 -10.305 8.189 1.00 74.40 C ATOM 859 CE2 TYR A 55 -5.408 -7.972 7.529 1.00 41.35 C ATOM 860 CZ TYR A 55 -4.902 -9.069 8.260 1.00 41.22 C ATOM 861 OH TYR A 55 -3.786 -8.932 9.023 1.00 64.41 O ATOM 0 H TYR A 55 -9.805 -11.818 6.441 1.00 14.25 H new ATOM 0 HA TYR A 55 -9.696 -9.177 7.815 1.00 0.52 H new ATOM 0 HB2 TYR A 55 -8.503 -10.186 5.233 1.00 30.40 H new ATOM 0 HB3 TYR A 55 -8.800 -8.482 5.516 1.00 30.40 H new ATOM 0 HD1 TYR A 55 -7.226 -11.387 7.353 1.00 5.24 H new ATOM 0 HD2 TYR A 55 -6.939 -7.259 6.191 1.00 20.10 H new ATOM 0 HE1 TYR A 55 -5.186 -11.159 8.726 1.00 74.40 H new ATOM 0 HE2 TYR A 55 -4.890 -7.025 7.560 1.00 41.35 H new ATOM 0 HH TYR A 55 -3.454 -8.013 8.955 1.00 64.41 H new ATOM 871 N PRO A 56 -12.256 -9.425 6.944 1.00 24.35 N ATOM 872 CA PRO A 56 -13.545 -9.168 6.315 1.00 65.14 C ATOM 873 C PRO A 56 -13.605 -7.772 5.684 1.00 22.54 C ATOM 874 O PRO A 56 -14.327 -7.575 4.707 1.00 50.31 O ATOM 875 CB PRO A 56 -14.594 -9.335 7.419 1.00 75.34 C ATOM 876 CG PRO A 56 -13.808 -9.070 8.702 1.00 12.03 C ATOM 877 CD PRO A 56 -12.418 -9.610 8.376 1.00 61.13 C ATOM 0 HA PRO A 56 -13.723 -9.862 5.493 1.00 65.14 H new ATOM 0 HB2 PRO A 56 -15.417 -8.631 7.300 1.00 75.34 H new ATOM 0 HB3 PRO A 56 -15.027 -10.335 7.413 1.00 75.34 H new ATOM 0 HG2 PRO A 56 -13.781 -8.008 8.946 1.00 12.03 H new ATOM 0 HG3 PRO A 56 -14.249 -9.582 9.557 1.00 12.03 H new ATOM 0 HD2 PRO A 56 -11.648 -9.073 8.931 1.00 61.13 H new ATOM 0 HD3 PRO A 56 -12.332 -10.662 8.648 1.00 61.13 H new ATOM 885 N GLU A 57 -12.814 -6.824 6.185 1.00 41.32 N ATOM 886 CA GLU A 57 -12.858 -5.400 5.861 1.00 13.21 C ATOM 887 C GLU A 57 -11.448 -4.908 5.536 1.00 33.33 C ATOM 888 O GLU A 57 -10.472 -5.562 5.928 1.00 33.31 O ATOM 889 CB GLU A 57 -13.421 -4.624 7.061 1.00 33.04 C ATOM 890 CG GLU A 57 -14.938 -4.801 7.161 1.00 34.04 C ATOM 891 CD GLU A 57 -15.509 -4.184 8.442 1.00 31.55 C ATOM 892 OE1 GLU A 57 -14.912 -4.364 9.532 1.00 54.11 O ATOM 893 OE2 GLU A 57 -16.657 -3.685 8.398 1.00 34.00 O ATOM 0 H GLU A 57 -12.086 -7.042 6.865 1.00 41.32 H new ATOM 0 HA GLU A 57 -13.500 -5.238 4.995 1.00 13.21 H new ATOM 0 HB2 GLU A 57 -12.949 -4.973 7.979 1.00 33.04 H new ATOM 0 HB3 GLU A 57 -13.180 -3.566 6.961 1.00 33.04 H new ATOM 0 HG2 GLU A 57 -15.414 -4.341 6.295 1.00 34.04 H new ATOM 0 HG3 GLU A 57 -15.181 -5.863 7.132 1.00 34.04 H new ATOM 900 N PRO A 58 -11.314 -3.764 4.848 1.00 41.33 N ATOM 901 CA PRO A 58 -10.000 -3.275 4.499 1.00 31.22 C ATOM 902 C PRO A 58 -9.157 -2.925 5.727 1.00 71.22 C ATOM 903 O PRO A 58 -9.687 -2.566 6.785 1.00 12.30 O ATOM 904 CB PRO A 58 -10.206 -2.062 3.604 1.00 54.31 C ATOM 905 CG PRO A 58 -11.695 -1.739 3.641 1.00 64.31 C ATOM 906 CD PRO A 58 -12.359 -3.001 4.184 1.00 50.14 C ATOM 0 HA PRO A 58 -9.440 -4.054 3.982 1.00 31.22 H new ATOM 0 HB2 PRO A 58 -9.617 -1.216 3.958 1.00 54.31 H new ATOM 0 HB3 PRO A 58 -9.881 -2.273 2.585 1.00 54.31 H new ATOM 0 HG2 PRO A 58 -11.897 -0.880 4.281 1.00 64.31 H new ATOM 0 HG3 PRO A 58 -12.070 -1.492 2.648 1.00 64.31 H new ATOM 0 HD2 PRO A 58 -13.158 -2.750 4.881 1.00 50.14 H new ATOM 0 HD3 PRO A 58 -12.809 -3.580 3.378 1.00 50.14 H new ATOM 914 N PRO A 59 -7.828 -2.980 5.576 1.00 40.21 N ATOM 915 CA PRO A 59 -6.896 -2.464 6.553 1.00 62.22 C ATOM 916 C PRO A 59 -6.839 -0.940 6.444 1.00 5.32 C ATOM 917 O PRO A 59 -6.370 -0.405 5.433 1.00 14.04 O ATOM 918 CB PRO A 59 -5.577 -3.134 6.202 1.00 54.25 C ATOM 919 CG PRO A 59 -5.649 -3.369 4.697 1.00 44.44 C ATOM 920 CD PRO A 59 -7.128 -3.610 4.463 1.00 61.10 C ATOM 0 HA PRO A 59 -7.171 -2.674 7.587 1.00 62.22 H new ATOM 0 HB2 PRO A 59 -4.729 -2.500 6.464 1.00 54.25 H new ATOM 0 HB3 PRO A 59 -5.453 -4.072 6.744 1.00 54.25 H new ATOM 0 HG2 PRO A 59 -5.286 -2.508 4.136 1.00 44.44 H new ATOM 0 HG3 PRO A 59 -5.047 -4.225 4.392 1.00 44.44 H new ATOM 0 HD2 PRO A 59 -7.446 -3.182 3.512 1.00 61.10 H new ATOM 0 HD3 PRO A 59 -7.346 -4.677 4.421 1.00 61.10 H new ATOM 928 N ASP A 60 -7.321 -0.228 7.465 1.00 3.42 N ATOM 929 CA ASP A 60 -7.206 1.227 7.491 1.00 60.14 C ATOM 930 C ASP A 60 -5.865 1.631 8.082 1.00 71.14 C ATOM 931 O ASP A 60 -5.753 1.818 9.298 1.00 11.22 O ATOM 932 CB ASP A 60 -8.313 1.934 8.283 1.00 32.31 C ATOM 933 CG ASP A 60 -8.118 3.451 8.147 1.00 44.32 C ATOM 934 OD1 ASP A 60 -7.422 3.888 7.199 1.00 24.24 O ATOM 935 OD2 ASP A 60 -8.629 4.206 9.004 1.00 23.21 O ATOM 0 H ASP A 60 -7.790 -0.632 8.276 1.00 3.42 H new ATOM 0 HA ASP A 60 -7.302 1.543 6.452 1.00 60.14 H new ATOM 0 HB2 ASP A 60 -9.293 1.643 7.906 1.00 32.31 H new ATOM 0 HB3 ASP A 60 -8.275 1.640 9.332 1.00 32.31 H new ATOM 940 N PHE A 61 -4.833 1.785 7.257 1.00 30.02 N ATOM 941 CA PHE A 61 -3.522 2.128 7.788 1.00 44.32 C ATOM 942 C PHE A 61 -3.465 3.556 8.363 1.00 33.34 C ATOM 943 O PHE A 61 -2.425 3.941 8.899 1.00 23.12 O ATOM 944 CB PHE A 61 -2.459 1.865 6.721 1.00 52.41 C ATOM 945 CG PHE A 61 -2.432 0.425 6.244 1.00 20.45 C ATOM 946 CD1 PHE A 61 -1.711 -0.553 6.956 1.00 13.45 C ATOM 947 CD2 PHE A 61 -3.127 0.054 5.080 1.00 2.05 C ATOM 948 CE1 PHE A 61 -1.640 -1.870 6.472 1.00 31.02 C ATOM 949 CE2 PHE A 61 -3.022 -1.249 4.577 1.00 11.41 C ATOM 950 CZ PHE A 61 -2.303 -2.220 5.286 1.00 55.11 C ATOM 0 H PHE A 61 -4.877 1.680 6.243 1.00 30.02 H new ATOM 0 HA PHE A 61 -3.313 1.484 8.643 1.00 44.32 H new ATOM 0 HB2 PHE A 61 -2.640 2.520 5.868 1.00 52.41 H new ATOM 0 HB3 PHE A 61 -1.480 2.126 7.121 1.00 52.41 H new ATOM 0 HD1 PHE A 61 -1.211 -0.290 7.877 1.00 13.45 H new ATOM 0 HD2 PHE A 61 -3.746 0.778 4.570 1.00 2.05 H new ATOM 0 HE1 PHE A 61 -1.074 -2.614 7.013 1.00 31.02 H new ATOM 0 HE2 PHE A 61 -3.496 -1.506 3.641 1.00 11.41 H new ATOM 0 HZ PHE A 61 -2.259 -3.235 4.921 1.00 55.11 H new ATOM 960 N ILE A 62 -4.545 4.344 8.292 1.00 63.13 N ATOM 961 CA ILE A 62 -4.630 5.686 8.854 1.00 50.44 C ATOM 962 C ILE A 62 -4.895 5.571 10.358 1.00 33.22 C ATOM 963 O ILE A 62 -4.060 6.008 11.155 1.00 11.53 O ATOM 964 CB ILE A 62 -5.710 6.538 8.136 1.00 60.14 C ATOM 965 CG1 ILE A 62 -5.626 6.406 6.599 1.00 50.32 C ATOM 966 CG2 ILE A 62 -5.575 8.015 8.558 1.00 41.14 C ATOM 967 CD1 ILE A 62 -6.864 6.919 5.871 1.00 65.43 C ATOM 0 H ILE A 62 -5.405 4.052 7.828 1.00 63.13 H new ATOM 0 HA ILE A 62 -3.685 6.207 8.698 1.00 50.44 H new ATOM 0 HB ILE A 62 -6.687 6.161 8.437 1.00 60.14 H new ATOM 0 HG12 ILE A 62 -4.753 6.954 6.243 1.00 50.32 H new ATOM 0 HG13 ILE A 62 -5.472 5.358 6.341 1.00 50.32 H new ATOM 0 HG21 ILE A 62 -6.335 8.609 8.051 1.00 41.14 H new ATOM 0 HG22 ILE A 62 -5.708 8.099 9.637 1.00 41.14 H new ATOM 0 HG23 ILE A 62 -4.586 8.382 8.285 1.00 41.14 H new ATOM 0 HD11 ILE A 62 -6.732 6.794 4.796 1.00 65.43 H new ATOM 0 HD12 ILE A 62 -7.738 6.355 6.197 1.00 65.43 H new ATOM 0 HD13 ILE A 62 -7.008 7.975 6.098 1.00 65.43 H new ATOM 979 N ALA A 63 -6.028 4.983 10.769 1.00 33.35 N ATOM 980 CA ALA A 63 -6.439 4.960 12.168 1.00 1.23 C ATOM 981 C ALA A 63 -5.814 3.769 12.883 1.00 3.42 C ATOM 982 O ALA A 63 -5.637 3.783 14.104 1.00 51.41 O ATOM 983 CB ALA A 63 -7.965 4.856 12.239 1.00 1.15 C ATOM 0 H ALA A 63 -6.678 4.514 10.139 1.00 33.35 H new ATOM 0 HA ALA A 63 -6.105 5.876 12.655 1.00 1.23 H new ATOM 0 HB1 ALA A 63 -8.280 4.838 13.282 1.00 1.15 H new ATOM 0 HB2 ALA A 63 -8.412 5.716 11.739 1.00 1.15 H new ATOM 0 HB3 ALA A 63 -8.291 3.940 11.746 1.00 1.15 H new ATOM 989 N SER A 64 -5.483 2.730 12.121 1.00 74.51 N ATOM 990 CA SER A 64 -5.217 1.416 12.646 1.00 74.35 C ATOM 991 C SER A 64 -3.828 0.974 12.196 1.00 51.43 C ATOM 992 O SER A 64 -3.335 1.428 11.159 1.00 41.01 O ATOM 993 CB SER A 64 -6.394 0.518 12.234 1.00 12.34 C ATOM 994 OG SER A 64 -6.232 -0.094 10.975 1.00 21.42 O ATOM 0 H SER A 64 -5.394 2.790 11.107 1.00 74.51 H new ATOM 0 HA SER A 64 -5.170 1.371 13.734 1.00 74.35 H new ATOM 0 HB2 SER A 64 -6.529 -0.257 12.989 1.00 12.34 H new ATOM 0 HB3 SER A 64 -7.306 1.114 12.223 1.00 12.34 H new ATOM 0 HG SER A 64 -6.383 0.568 10.268 1.00 21.42 H new ATOM 1000 N ARG A 65 -3.152 0.101 12.943 1.00 34.14 N ATOM 1001 CA ARG A 65 -2.007 -0.621 12.391 1.00 52.33 C ATOM 1002 C ARG A 65 -1.970 -2.087 12.830 1.00 51.11 C ATOM 1003 O ARG A 65 -0.887 -2.607 13.094 1.00 23.53 O ATOM 1004 CB ARG A 65 -0.734 0.181 12.744 1.00 25.05 C ATOM 1005 CG ARG A 65 -0.469 0.507 14.226 1.00 22.53 C ATOM 1006 CD ARG A 65 0.143 -0.651 15.029 1.00 51.12 C ATOM 1007 NE ARG A 65 0.506 -0.220 16.388 1.00 51.44 N ATOM 1008 CZ ARG A 65 1.518 0.597 16.688 1.00 41.02 C ATOM 1009 NH1 ARG A 65 2.480 0.808 15.794 1.00 23.40 N ATOM 1010 NH2 ARG A 65 1.533 1.215 17.861 1.00 62.43 N ATOM 0 H ARG A 65 -3.372 -0.120 13.914 1.00 34.14 H new ATOM 0 HA ARG A 65 -2.086 -0.688 11.306 1.00 52.33 H new ATOM 0 HB2 ARG A 65 0.125 -0.374 12.366 1.00 25.05 H new ATOM 0 HB3 ARG A 65 -0.771 1.123 12.197 1.00 25.05 H new ATOM 0 HG2 ARG A 65 0.199 1.366 14.283 1.00 22.53 H new ATOM 0 HG3 ARG A 65 -1.408 0.802 14.694 1.00 22.53 H new ATOM 0 HD2 ARG A 65 -0.568 -1.475 15.083 1.00 51.12 H new ATOM 0 HD3 ARG A 65 1.028 -1.026 14.515 1.00 51.12 H new ATOM 0 HE ARG A 65 -0.059 -0.573 17.160 1.00 51.44 H new ATOM 0 HH11 ARG A 65 2.442 0.347 14.885 1.00 23.40 H new ATOM 0 HH12 ARG A 65 3.256 1.431 16.017 1.00 23.40 H new ATOM 0 HH21 ARG A 65 0.775 1.064 18.526 1.00 62.43 H new ATOM 0 HH22 ARG A 65 2.303 1.841 18.098 1.00 62.43 H new ATOM 1024 N PRO A 66 -3.067 -2.852 12.675 1.00 22.31 N ATOM 1025 CA PRO A 66 -3.001 -4.288 12.847 1.00 44.21 C ATOM 1026 C PRO A 66 -2.289 -4.881 11.630 1.00 34.22 C ATOM 1027 O PRO A 66 -1.276 -5.578 11.757 1.00 75.45 O ATOM 1028 CB PRO A 66 -4.451 -4.746 13.017 1.00 41.44 C ATOM 1029 CG PRO A 66 -5.269 -3.713 12.245 1.00 23.23 C ATOM 1030 CD PRO A 66 -4.438 -2.443 12.393 1.00 53.51 C ATOM 0 HA PRO A 66 -2.431 -4.618 13.715 1.00 44.21 H new ATOM 0 HB2 PRO A 66 -4.600 -5.749 12.618 1.00 41.44 H new ATOM 0 HB3 PRO A 66 -4.738 -4.775 14.068 1.00 41.44 H new ATOM 0 HG2 PRO A 66 -5.393 -3.995 11.200 1.00 23.23 H new ATOM 0 HG3 PRO A 66 -6.268 -3.593 12.664 1.00 23.23 H new ATOM 0 HD2 PRO A 66 -4.481 -1.847 11.481 1.00 53.51 H new ATOM 0 HD3 PRO A 66 -4.827 -1.821 13.199 1.00 53.51 H new ATOM 1038 N ALA A 67 -2.780 -4.522 10.443 1.00 15.12 N ATOM 1039 CA ALA A 67 -2.361 -5.060 9.164 1.00 14.14 C ATOM 1040 C ALA A 67 -0.946 -4.657 8.791 1.00 14.22 C ATOM 1041 O ALA A 67 -0.358 -5.287 7.919 1.00 35.04 O ATOM 1042 CB ALA A 67 -3.315 -4.546 8.095 1.00 44.23 C ATOM 0 H ALA A 67 -3.512 -3.817 10.351 1.00 15.12 H new ATOM 0 HA ALA A 67 -2.379 -6.147 9.237 1.00 14.14 H new ATOM 0 HB1 ALA A 67 -3.018 -4.939 7.123 1.00 44.23 H new ATOM 0 HB2 ALA A 67 -4.329 -4.873 8.324 1.00 44.23 H new ATOM 0 HB3 ALA A 67 -3.282 -3.457 8.071 1.00 44.23 H new ATOM 1048 N THR A 68 -0.379 -3.624 9.415 1.00 34.45 N ATOM 1049 CA THR A 68 0.979 -3.189 9.140 1.00 4.32 C ATOM 1050 C THR A 68 1.962 -4.341 9.346 1.00 51.23 C ATOM 1051 O THR A 68 2.902 -4.490 8.565 1.00 71.35 O ATOM 1052 CB THR A 68 1.300 -1.992 10.039 1.00 5.51 C ATOM 1053 OG1 THR A 68 0.323 -0.998 9.798 1.00 51.52 O ATOM 1054 CG2 THR A 68 2.707 -1.478 9.748 1.00 13.03 C ATOM 0 H THR A 68 -0.855 -3.068 10.126 1.00 34.45 H new ATOM 0 HA THR A 68 1.073 -2.879 8.099 1.00 4.32 H new ATOM 0 HB THR A 68 1.276 -2.278 11.091 1.00 5.51 H new ATOM 0 HG1 THR A 68 0.589 -0.164 10.238 1.00 51.52 H new ATOM 0 HG21 THR A 68 2.924 -0.627 10.393 1.00 13.03 H new ATOM 0 HG22 THR A 68 3.430 -2.271 9.938 1.00 13.03 H new ATOM 0 HG23 THR A 68 2.773 -1.169 8.705 1.00 13.03 H new ATOM 1062 N VAL A 69 1.718 -5.186 10.349 1.00 14.55 N ATOM 1063 CA VAL A 69 2.557 -6.331 10.632 1.00 11.53 C ATOM 1064 C VAL A 69 2.559 -7.240 9.401 1.00 20.33 C ATOM 1065 O VAL A 69 3.625 -7.640 8.921 1.00 11.22 O ATOM 1066 CB VAL A 69 2.040 -7.043 11.896 1.00 60.22 C ATOM 1067 CG1 VAL A 69 2.959 -8.216 12.253 1.00 42.35 C ATOM 1068 CG2 VAL A 69 1.937 -6.087 13.101 1.00 50.35 C ATOM 0 H VAL A 69 0.927 -5.087 10.985 1.00 14.55 H new ATOM 0 HA VAL A 69 3.586 -6.032 10.834 1.00 11.53 H new ATOM 0 HB VAL A 69 1.038 -7.409 11.672 1.00 60.22 H new ATOM 0 HG11 VAL A 69 2.584 -8.712 13.148 1.00 42.35 H new ATOM 0 HG12 VAL A 69 2.980 -8.926 11.426 1.00 42.35 H new ATOM 0 HG13 VAL A 69 3.967 -7.845 12.439 1.00 42.35 H new ATOM 0 HG21 VAL A 69 1.568 -6.634 13.969 1.00 50.35 H new ATOM 0 HG22 VAL A 69 2.921 -5.675 13.323 1.00 50.35 H new ATOM 0 HG23 VAL A 69 1.249 -5.276 12.864 1.00 50.35 H new ATOM 1078 N LYS A 70 1.368 -7.536 8.869 1.00 65.22 N ATOM 1079 CA LYS A 70 1.212 -8.370 7.693 1.00 43.34 C ATOM 1080 C LYS A 70 1.804 -7.706 6.455 1.00 1.02 C ATOM 1081 O LYS A 70 2.454 -8.370 5.654 1.00 51.14 O ATOM 1082 CB LYS A 70 -0.263 -8.727 7.487 1.00 51.02 C ATOM 1083 CG LYS A 70 -0.384 -9.778 6.381 1.00 33.24 C ATOM 1084 CD LYS A 70 -1.808 -10.321 6.305 1.00 41.24 C ATOM 1085 CE LYS A 70 -1.937 -11.278 5.118 1.00 11.14 C ATOM 1086 NZ LYS A 70 -1.125 -12.503 5.260 1.00 14.02 N ATOM 0 H LYS A 70 0.485 -7.197 9.252 1.00 65.22 H new ATOM 0 HA LYS A 70 1.767 -9.294 7.854 1.00 43.34 H new ATOM 0 HB2 LYS A 70 -0.689 -9.109 8.415 1.00 51.02 H new ATOM 0 HB3 LYS A 70 -0.830 -7.835 7.220 1.00 51.02 H new ATOM 0 HG2 LYS A 70 -0.106 -9.339 5.423 1.00 33.24 H new ATOM 0 HG3 LYS A 70 0.312 -10.595 6.571 1.00 33.24 H new ATOM 0 HD2 LYS A 70 -2.059 -10.839 7.230 1.00 41.24 H new ATOM 0 HD3 LYS A 70 -2.515 -9.498 6.199 1.00 41.24 H new ATOM 0 HE2 LYS A 70 -2.984 -11.557 4.998 1.00 11.14 H new ATOM 0 HE3 LYS A 70 -1.640 -10.758 4.208 1.00 11.14 H new ATOM 0 HZ1 LYS A 70 -0.379 -12.511 4.536 1.00 14.02 H new ATOM 0 HZ2 LYS A 70 -0.691 -12.524 6.205 1.00 14.02 H new ATOM 0 HZ3 LYS A 70 -1.733 -13.338 5.140 1.00 14.02 H new ATOM 1100 N LEU A 71 1.640 -6.396 6.296 1.00 31.35 N ATOM 1101 CA LEU A 71 2.242 -5.659 5.197 1.00 43.24 C ATOM 1102 C LEU A 71 3.759 -5.869 5.203 1.00 2.31 C ATOM 1103 O LEU A 71 4.362 -6.094 4.159 1.00 4.34 O ATOM 1104 CB LEU A 71 1.883 -4.169 5.318 1.00 44.34 C ATOM 1105 CG LEU A 71 1.706 -3.486 3.958 1.00 65.53 C ATOM 1106 CD1 LEU A 71 0.427 -3.931 3.244 1.00 21.24 C ATOM 1107 CD2 LEU A 71 1.598 -1.977 4.153 1.00 3.43 C ATOM 0 H LEU A 71 1.085 -5.818 6.927 1.00 31.35 H new ATOM 0 HA LEU A 71 1.854 -6.027 4.247 1.00 43.24 H new ATOM 0 HB2 LEU A 71 0.962 -4.068 5.892 1.00 44.34 H new ATOM 0 HB3 LEU A 71 2.665 -3.656 5.877 1.00 44.34 H new ATOM 0 HG LEU A 71 2.572 -3.763 3.357 1.00 65.53 H new ATOM 0 HD11 LEU A 71 0.348 -3.418 2.285 1.00 21.24 H new ATOM 0 HD12 LEU A 71 0.459 -5.008 3.078 1.00 21.24 H new ATOM 0 HD13 LEU A 71 -0.438 -3.684 3.860 1.00 21.24 H new ATOM 0 HD21 LEU A 71 1.472 -1.493 3.184 1.00 3.43 H new ATOM 0 HD22 LEU A 71 0.739 -1.752 4.785 1.00 3.43 H new ATOM 0 HD23 LEU A 71 2.506 -1.606 4.629 1.00 3.43 H new ATOM 1119 N THR A 72 4.384 -5.850 6.381 1.00 34.32 N ATOM 1120 CA THR A 72 5.814 -6.046 6.525 1.00 14.34 C ATOM 1121 C THR A 72 6.240 -7.502 6.238 1.00 4.24 C ATOM 1122 O THR A 72 7.385 -7.710 5.826 1.00 14.12 O ATOM 1123 CB THR A 72 6.186 -5.520 7.920 1.00 50.52 C ATOM 1124 OG1 THR A 72 6.057 -4.104 7.949 1.00 13.22 O ATOM 1125 CG2 THR A 72 7.587 -5.917 8.369 1.00 55.22 C ATOM 0 H THR A 72 3.901 -5.696 7.266 1.00 34.32 H new ATOM 0 HA THR A 72 6.376 -5.487 5.777 1.00 14.34 H new ATOM 0 HB THR A 72 5.492 -5.984 8.621 1.00 50.52 H new ATOM 0 HG1 THR A 72 5.135 -3.864 8.178 1.00 13.22 H new ATOM 0 HG21 THR A 72 7.780 -5.511 9.362 1.00 55.22 H new ATOM 0 HG22 THR A 72 7.665 -7.004 8.400 1.00 55.22 H new ATOM 0 HG23 THR A 72 8.320 -5.521 7.666 1.00 55.22 H new ATOM 1133 N ARG A 73 5.362 -8.508 6.367 1.00 61.12 N ATOM 1134 CA ARG A 73 5.645 -9.885 5.928 1.00 22.20 C ATOM 1135 C ARG A 73 6.039 -9.977 4.448 1.00 70.42 C ATOM 1136 O ARG A 73 6.704 -10.941 4.070 1.00 34.04 O ATOM 1137 CB ARG A 73 4.435 -10.819 6.148 1.00 75.23 C ATOM 1138 CG ARG A 73 3.952 -10.948 7.605 1.00 23.53 C ATOM 1139 CD ARG A 73 4.506 -12.136 8.402 1.00 14.31 C ATOM 1140 NE ARG A 73 5.919 -12.398 8.096 1.00 71.24 N ATOM 1141 CZ ARG A 73 6.400 -13.413 7.365 1.00 20.14 C ATOM 1142 NH1 ARG A 73 5.753 -14.564 7.245 1.00 61.03 N ATOM 1143 NH2 ARG A 73 7.548 -13.254 6.730 1.00 4.45 N ATOM 0 H ARG A 73 4.436 -8.391 6.778 1.00 61.12 H new ATOM 0 HA ARG A 73 6.488 -10.202 6.542 1.00 22.20 H new ATOM 0 HB2 ARG A 73 3.605 -10.459 5.539 1.00 75.23 H new ATOM 0 HB3 ARG A 73 4.693 -11.812 5.780 1.00 75.23 H new ATOM 0 HG2 ARG A 73 4.211 -10.031 8.134 1.00 23.53 H new ATOM 0 HG3 ARG A 73 2.864 -11.017 7.600 1.00 23.53 H new ATOM 0 HD2 ARG A 73 4.397 -11.938 9.468 1.00 14.31 H new ATOM 0 HD3 ARG A 73 3.917 -13.026 8.181 1.00 14.31 H new ATOM 0 HE ARG A 73 6.601 -11.743 8.478 1.00 71.24 H new ATOM 0 HH11 ARG A 73 4.859 -14.698 7.718 1.00 61.03 H new ATOM 0 HH12 ARG A 73 6.149 -15.315 6.680 1.00 61.03 H new ATOM 0 HH21 ARG A 73 8.052 -12.370 6.801 1.00 4.45 H new ATOM 0 HH22 ARG A 73 7.930 -14.015 6.169 1.00 4.45 H new ATOM 1157 N SER A 74 5.615 -9.019 3.624 1.00 51.25 N ATOM 1158 CA SER A 74 5.907 -8.929 2.195 1.00 24.44 C ATOM 1159 C SER A 74 7.179 -8.110 1.923 1.00 42.14 C ATOM 1160 O SER A 74 7.580 -7.954 0.772 1.00 42.01 O ATOM 1161 CB SER A 74 4.640 -8.369 1.532 1.00 31.54 C ATOM 1162 OG SER A 74 4.778 -7.863 0.225 1.00 73.22 O ATOM 0 H SER A 74 5.031 -8.249 3.951 1.00 51.25 H new ATOM 0 HA SER A 74 6.137 -9.904 1.765 1.00 24.44 H new ATOM 0 HB2 SER A 74 3.889 -9.159 1.513 1.00 31.54 H new ATOM 0 HB3 SER A 74 4.249 -7.573 2.165 1.00 31.54 H new ATOM 0 HG SER A 74 4.326 -6.996 0.160 1.00 73.22 H new ATOM 1168 N ILE A 75 7.850 -7.584 2.954 1.00 54.13 N ATOM 1169 CA ILE A 75 9.026 -6.737 2.799 1.00 41.53 C ATOM 1170 C ILE A 75 10.239 -7.506 3.357 1.00 75.03 C ATOM 1171 O ILE A 75 10.597 -7.328 4.528 1.00 41.15 O ATOM 1172 CB ILE A 75 8.784 -5.331 3.390 1.00 65.10 C ATOM 1173 CG1 ILE A 75 7.460 -4.730 2.853 1.00 61.15 C ATOM 1174 CG2 ILE A 75 9.951 -4.410 2.985 1.00 22.23 C ATOM 1175 CD1 ILE A 75 7.099 -3.398 3.503 1.00 71.33 C ATOM 0 H ILE A 75 7.585 -7.739 3.927 1.00 54.13 H new ATOM 0 HA ILE A 75 9.243 -6.528 1.751 1.00 41.53 H new ATOM 0 HB ILE A 75 8.718 -5.413 4.475 1.00 65.10 H new ATOM 0 HG12 ILE A 75 7.542 -4.591 1.775 1.00 61.15 H new ATOM 0 HG13 ILE A 75 6.651 -5.441 3.022 1.00 61.15 H new ATOM 0 HG21 ILE A 75 9.789 -3.414 3.398 1.00 22.23 H new ATOM 0 HG22 ILE A 75 10.886 -4.816 3.372 1.00 22.23 H new ATOM 0 HG23 ILE A 75 10.005 -4.348 1.898 1.00 22.23 H new ATOM 0 HD11 ILE A 75 6.162 -3.031 3.084 1.00 71.33 H new ATOM 0 HD12 ILE A 75 6.986 -3.537 4.578 1.00 71.33 H new ATOM 0 HD13 ILE A 75 7.891 -2.674 3.312 1.00 71.33 H new ATOM 1187 N PRO A 76 10.858 -8.389 2.549 1.00 14.12 N ATOM 1188 CA PRO A 76 12.117 -9.052 2.855 1.00 55.34 C ATOM 1189 C PRO A 76 13.269 -8.034 2.815 1.00 25.42 C ATOM 1190 O PRO A 76 13.082 -6.872 2.443 1.00 62.25 O ATOM 1191 CB PRO A 76 12.238 -10.125 1.760 1.00 33.02 C ATOM 1192 CG PRO A 76 11.667 -9.420 0.548 1.00 41.11 C ATOM 1193 CD PRO A 76 10.452 -8.764 1.204 1.00 44.04 C ATOM 0 HA PRO A 76 12.156 -9.493 3.851 1.00 55.34 H new ATOM 0 HB2 PRO A 76 13.273 -10.430 1.603 1.00 33.02 H new ATOM 0 HB3 PRO A 76 11.675 -11.025 2.009 1.00 33.02 H new ATOM 0 HG2 PRO A 76 12.357 -8.694 0.119 1.00 41.11 H new ATOM 0 HG3 PRO A 76 11.393 -10.110 -0.250 1.00 41.11 H new ATOM 0 HD2 PRO A 76 10.131 -7.889 0.638 1.00 44.04 H new ATOM 0 HD3 PRO A 76 9.608 -9.453 1.232 1.00 44.04 H new ATOM 1201 N ALA A 77 14.476 -8.488 3.157 1.00 4.22 N ATOM 1202 CA ALA A 77 15.709 -7.708 3.180 1.00 31.43 C ATOM 1203 C ALA A 77 15.956 -6.906 1.892 1.00 54.31 C ATOM 1204 O ALA A 77 16.175 -5.698 2.001 1.00 41.53 O ATOM 1205 CB ALA A 77 16.886 -8.642 3.477 1.00 52.35 C ATOM 0 H ALA A 77 14.625 -9.457 3.439 1.00 4.22 H new ATOM 0 HA ALA A 77 15.608 -6.963 3.969 1.00 31.43 H new ATOM 0 HB1 ALA A 77 17.811 -8.066 3.496 1.00 52.35 H new ATOM 0 HB2 ALA A 77 16.736 -9.120 4.445 1.00 52.35 H new ATOM 0 HB3 ALA A 77 16.949 -9.405 2.702 1.00 52.35 H new ATOM 1211 N PRO A 78 15.922 -7.521 0.692 1.00 63.24 N ATOM 1212 CA PRO A 78 16.190 -6.832 -0.568 1.00 61.35 C ATOM 1213 C PRO A 78 15.131 -5.790 -0.931 1.00 72.35 C ATOM 1214 O PRO A 78 15.386 -4.964 -1.803 1.00 40.31 O ATOM 1215 CB PRO A 78 16.272 -7.932 -1.638 1.00 74.24 C ATOM 1216 CG PRO A 78 15.414 -9.046 -1.045 1.00 74.41 C ATOM 1217 CD PRO A 78 15.755 -8.942 0.424 1.00 35.22 C ATOM 0 HA PRO A 78 17.116 -6.262 -0.488 1.00 61.35 H new ATOM 0 HB2 PRO A 78 15.885 -7.591 -2.598 1.00 74.24 H new ATOM 0 HB3 PRO A 78 17.299 -8.258 -1.805 1.00 74.24 H new ATOM 0 HG2 PRO A 78 14.352 -8.888 -1.231 1.00 74.41 H new ATOM 0 HG3 PRO A 78 15.668 -10.023 -1.457 1.00 74.41 H new ATOM 0 HD2 PRO A 78 14.962 -9.366 1.041 1.00 35.22 H new ATOM 0 HD3 PRO A 78 16.667 -9.493 0.654 1.00 35.22 H new ATOM 1225 N TYR A 79 13.967 -5.767 -0.273 1.00 50.32 N ATOM 1226 CA TYR A 79 12.849 -4.911 -0.659 1.00 53.05 C ATOM 1227 C TYR A 79 12.586 -3.809 0.368 1.00 54.15 C ATOM 1228 O TYR A 79 11.611 -3.067 0.264 1.00 52.43 O ATOM 1229 CB TYR A 79 11.612 -5.779 -0.887 1.00 11.53 C ATOM 1230 CG TYR A 79 11.642 -6.698 -2.096 1.00 32.31 C ATOM 1231 CD1 TYR A 79 12.453 -6.384 -3.203 1.00 33.33 C ATOM 1232 CD2 TYR A 79 10.777 -7.811 -2.172 1.00 63.23 C ATOM 1233 CE1 TYR A 79 12.336 -7.093 -4.398 1.00 55.33 C ATOM 1234 CE2 TYR A 79 10.697 -8.567 -3.352 1.00 43.13 C ATOM 1235 CZ TYR A 79 11.476 -8.212 -4.471 1.00 44.43 C ATOM 1236 OH TYR A 79 11.414 -8.968 -5.594 1.00 43.23 O ATOM 0 H TYR A 79 13.777 -6.346 0.545 1.00 50.32 H new ATOM 0 HA TYR A 79 13.103 -4.399 -1.587 1.00 53.05 H new ATOM 0 HB2 TYR A 79 11.455 -6.390 0.002 1.00 11.53 H new ATOM 0 HB3 TYR A 79 10.747 -5.122 -0.979 1.00 11.53 H new ATOM 0 HD1 TYR A 79 13.175 -5.584 -3.126 1.00 33.33 H new ATOM 0 HD2 TYR A 79 10.174 -8.082 -1.318 1.00 63.23 H new ATOM 0 HE1 TYR A 79 12.901 -6.788 -5.266 1.00 55.33 H new ATOM 0 HE2 TYR A 79 10.038 -9.421 -3.402 1.00 43.13 H new ATOM 0 HH TYR A 79 10.967 -9.816 -5.393 1.00 43.23 H new ATOM 1246 N LYS A 80 13.437 -3.691 1.381 1.00 21.23 N ATOM 1247 CA LYS A 80 13.289 -2.735 2.471 1.00 53.44 C ATOM 1248 C LYS A 80 13.178 -1.297 1.994 1.00 2.43 C ATOM 1249 O LYS A 80 12.285 -0.592 2.458 1.00 70.22 O ATOM 1250 CB LYS A 80 14.466 -2.873 3.449 1.00 63.12 C ATOM 1251 CG LYS A 80 14.358 -4.120 4.330 1.00 51.42 C ATOM 1252 CD LYS A 80 13.213 -3.961 5.329 1.00 62.15 C ATOM 1253 CE LYS A 80 13.091 -5.210 6.186 1.00 43.21 C ATOM 1254 NZ LYS A 80 12.474 -4.890 7.484 1.00 14.31 N ATOM 0 H LYS A 80 14.270 -4.273 1.469 1.00 21.23 H new ATOM 0 HA LYS A 80 12.351 -2.972 2.973 1.00 53.44 H new ATOM 0 HB2 LYS A 80 15.399 -2.910 2.886 1.00 63.12 H new ATOM 0 HB3 LYS A 80 14.512 -1.988 4.083 1.00 63.12 H new ATOM 0 HG2 LYS A 80 14.189 -5.000 3.709 1.00 51.42 H new ATOM 0 HG3 LYS A 80 15.295 -4.281 4.862 1.00 51.42 H new ATOM 0 HD2 LYS A 80 13.391 -3.092 5.962 1.00 62.15 H new ATOM 0 HD3 LYS A 80 12.278 -3.782 4.797 1.00 62.15 H new ATOM 0 HE2 LYS A 80 12.491 -5.957 5.666 1.00 43.21 H new ATOM 0 HE3 LYS A 80 14.077 -5.647 6.344 1.00 43.21 H new ATOM 0 HZ1 LYS A 80 12.399 -5.756 8.056 1.00 14.31 H new ATOM 0 HZ2 LYS A 80 13.062 -4.194 7.986 1.00 14.31 H new ATOM 0 HZ3 LYS A 80 11.525 -4.494 7.329 1.00 14.31 H new ATOM 1268 N GLN A 81 14.097 -0.848 1.146 1.00 33.12 N ATOM 1269 CA GLN A 81 14.382 0.565 0.924 1.00 23.11 C ATOM 1270 C GLN A 81 14.129 0.946 -0.529 1.00 65.10 C ATOM 1271 O GLN A 81 14.654 1.955 -0.999 1.00 21.15 O ATOM 1272 CB GLN A 81 15.822 0.891 1.369 1.00 54.11 C ATOM 1273 CG GLN A 81 16.109 0.370 2.784 1.00 32.30 C ATOM 1274 CD GLN A 81 17.231 1.119 3.485 1.00 2.41 C ATOM 1275 OE1 GLN A 81 17.076 2.285 3.840 1.00 31.02 O ATOM 1276 NE2 GLN A 81 18.353 0.471 3.745 1.00 14.41 N ATOM 0 H GLN A 81 14.677 -1.469 0.582 1.00 33.12 H new ATOM 0 HA GLN A 81 13.705 1.165 1.531 1.00 23.11 H new ATOM 0 HB2 GLN A 81 16.529 0.448 0.667 1.00 54.11 H new ATOM 0 HB3 GLN A 81 15.977 1.970 1.340 1.00 54.11 H new ATOM 0 HG2 GLN A 81 15.201 0.446 3.383 1.00 32.30 H new ATOM 0 HG3 GLN A 81 16.367 -0.688 2.729 1.00 32.30 H new ATOM 0 HE21 GLN A 81 18.465 -0.497 3.443 1.00 14.41 H new ATOM 0 HE22 GLN A 81 19.107 0.939 4.248 1.00 14.41 H new ATOM 1285 N LEU A 82 13.349 0.146 -1.262 1.00 75.15 N ATOM 1286 CA LEU A 82 13.192 0.327 -2.700 1.00 2.42 C ATOM 1287 C LEU A 82 12.634 1.692 -3.035 1.00 11.15 C ATOM 1288 O LEU A 82 13.019 2.272 -4.038 1.00 1.51 O ATOM 1289 CB LEU A 82 12.244 -0.690 -3.321 1.00 4.03 C ATOM 1290 CG LEU A 82 12.569 -2.159 -3.099 1.00 71.21 C ATOM 1291 CD1 LEU A 82 11.700 -2.955 -4.064 1.00 34.31 C ATOM 1292 CD2 LEU A 82 14.058 -2.448 -3.288 1.00 12.14 C ATOM 0 H LEU A 82 12.817 -0.634 -0.877 1.00 75.15 H new ATOM 0 HA LEU A 82 14.196 0.201 -3.106 1.00 2.42 H new ATOM 0 HB2 LEU A 82 11.243 -0.502 -2.933 1.00 4.03 H new ATOM 0 HB3 LEU A 82 12.209 -0.509 -4.395 1.00 4.03 H new ATOM 0 HG LEU A 82 12.353 -2.449 -2.071 1.00 71.21 H new ATOM 0 HD11 LEU A 82 11.900 -4.019 -3.940 1.00 34.31 H new ATOM 0 HD12 LEU A 82 10.649 -2.756 -3.855 1.00 34.31 H new ATOM 0 HD13 LEU A 82 11.929 -2.660 -5.088 1.00 34.31 H new ATOM 0 HD21 LEU A 82 14.247 -3.508 -3.120 1.00 12.14 H new ATOM 0 HD22 LEU A 82 14.354 -2.183 -4.303 1.00 12.14 H new ATOM 0 HD23 LEU A 82 14.636 -1.859 -2.576 1.00 12.14 H new ATOM 1304 N LEU A 83 11.740 2.227 -2.205 1.00 40.35 N ATOM 1305 CA LEU A 83 11.186 3.545 -2.466 1.00 13.54 C ATOM 1306 C LEU A 83 12.252 4.647 -2.511 1.00 10.22 C ATOM 1307 O LEU A 83 12.111 5.670 -3.181 1.00 64.31 O ATOM 1308 CB LEU A 83 10.006 3.784 -1.568 1.00 23.13 C ATOM 1309 CG LEU A 83 10.265 4.278 -0.153 1.00 0.54 C ATOM 1310 CD1 LEU A 83 10.601 5.753 -0.269 1.00 5.41 C ATOM 1311 CD2 LEU A 83 8.979 4.148 0.654 1.00 43.14 C ATOM 0 H LEU A 83 11.391 1.773 -1.361 1.00 40.35 H new ATOM 0 HA LEU A 83 10.792 3.585 -3.481 1.00 13.54 H new ATOM 0 HB2 LEU A 83 9.356 4.508 -2.059 1.00 23.13 H new ATOM 0 HB3 LEU A 83 9.448 2.851 -1.497 1.00 23.13 H new ATOM 0 HG LEU A 83 11.063 3.712 0.327 1.00 0.54 H new ATOM 0 HD11 LEU A 83 10.797 6.161 0.723 1.00 5.41 H new ATOM 0 HD12 LEU A 83 11.486 5.877 -0.893 1.00 5.41 H new ATOM 0 HD13 LEU A 83 9.762 6.283 -0.720 1.00 5.41 H new ATOM 0 HD21 LEU A 83 9.151 4.499 1.671 1.00 43.14 H new ATOM 0 HD22 LEU A 83 8.196 4.748 0.190 1.00 43.14 H new ATOM 0 HD23 LEU A 83 8.669 3.103 0.678 1.00 43.14 H new ATOM 1323 N LYS A 84 13.307 4.435 -1.743 1.00 4.12 N ATOM 1324 CA LYS A 84 14.461 5.315 -1.624 1.00 3.35 C ATOM 1325 C LYS A 84 15.544 4.990 -2.655 1.00 51.34 C ATOM 1326 O LYS A 84 16.260 5.889 -3.086 1.00 51.22 O ATOM 1327 CB LYS A 84 14.948 5.313 -0.158 1.00 21.02 C ATOM 1328 CG LYS A 84 16.286 6.046 -0.032 1.00 73.42 C ATOM 1329 CD LYS A 84 16.649 6.592 1.355 1.00 11.33 C ATOM 1330 CE LYS A 84 17.974 7.344 1.158 1.00 51.14 C ATOM 1331 NZ LYS A 84 18.443 8.135 2.313 1.00 14.23 N ATOM 0 H LYS A 84 13.388 3.605 -1.156 1.00 4.12 H new ATOM 0 HA LYS A 84 14.173 6.338 -1.866 1.00 3.35 H new ATOM 0 HB2 LYS A 84 14.204 5.792 0.478 1.00 21.02 H new ATOM 0 HB3 LYS A 84 15.055 4.287 0.194 1.00 21.02 H new ATOM 0 HG2 LYS A 84 17.077 5.365 -0.346 1.00 73.42 H new ATOM 0 HG3 LYS A 84 16.284 6.879 -0.735 1.00 73.42 H new ATOM 0 HD2 LYS A 84 15.872 7.256 1.732 1.00 11.33 H new ATOM 0 HD3 LYS A 84 16.758 5.785 2.080 1.00 11.33 H new ATOM 0 HE2 LYS A 84 18.746 6.619 0.901 1.00 51.14 H new ATOM 0 HE3 LYS A 84 17.867 8.012 0.304 1.00 51.14 H new ATOM 0 HZ1 LYS A 84 19.342 8.600 2.073 1.00 14.23 H new ATOM 0 HZ2 LYS A 84 17.733 8.857 2.551 1.00 14.23 H new ATOM 0 HZ3 LYS A 84 18.585 7.507 3.129 1.00 14.23 H new ATOM 1345 N GLU A 85 15.702 3.736 -3.052 1.00 34.24 N ATOM 1346 CA GLU A 85 16.560 3.350 -4.169 1.00 3.35 C ATOM 1347 C GLU A 85 15.986 3.849 -5.496 1.00 51.35 C ATOM 1348 O GLU A 85 16.646 4.603 -6.212 1.00 61.41 O ATOM 1349 CB GLU A 85 16.733 1.823 -4.197 1.00 61.44 C ATOM 1350 CG GLU A 85 17.744 1.360 -3.146 1.00 40.11 C ATOM 1351 CD GLU A 85 18.213 -0.064 -3.430 1.00 63.13 C ATOM 1352 OE1 GLU A 85 18.971 -0.276 -4.401 1.00 63.43 O ATOM 1353 OE2 GLU A 85 17.858 -0.987 -2.662 1.00 34.15 O ATOM 0 H GLU A 85 15.234 2.947 -2.605 1.00 34.24 H new ATOM 0 HA GLU A 85 17.537 3.813 -4.030 1.00 3.35 H new ATOM 0 HB2 GLU A 85 15.771 1.342 -4.017 1.00 61.44 H new ATOM 0 HB3 GLU A 85 17.065 1.510 -5.187 1.00 61.44 H new ATOM 0 HG2 GLU A 85 18.600 2.034 -3.138 1.00 40.11 H new ATOM 0 HG3 GLU A 85 17.292 1.407 -2.155 1.00 40.11 H new ATOM 1360 N GLU A 86 14.789 3.371 -5.835 1.00 30.22 N ATOM 1361 CA GLU A 86 14.135 3.542 -7.123 1.00 2.01 C ATOM 1362 C GLU A 86 13.625 4.972 -7.249 1.00 42.44 C ATOM 1363 O GLU A 86 14.203 5.751 -8.004 1.00 70.35 O ATOM 1364 CB GLU A 86 13.015 2.494 -7.306 1.00 14.35 C ATOM 1365 CG GLU A 86 13.595 1.073 -7.223 1.00 32.45 C ATOM 1366 CD GLU A 86 12.667 -0.046 -7.709 1.00 14.02 C ATOM 1367 OE1 GLU A 86 11.948 0.130 -8.710 1.00 33.10 O ATOM 1368 OE2 GLU A 86 12.754 -1.170 -7.153 1.00 22.01 O ATOM 0 H GLU A 86 14.224 2.827 -5.182 1.00 30.22 H new ATOM 0 HA GLU A 86 14.852 3.374 -7.927 1.00 2.01 H new ATOM 0 HB2 GLU A 86 12.253 2.628 -6.538 1.00 14.35 H new ATOM 0 HB3 GLU A 86 12.526 2.639 -8.269 1.00 14.35 H new ATOM 0 HG2 GLU A 86 14.514 1.039 -7.808 1.00 32.45 H new ATOM 0 HG3 GLU A 86 13.869 0.871 -6.188 1.00 32.45 H new ATOM 1375 N LEU A 87 12.571 5.319 -6.500 1.00 45.50 N ATOM 1376 CA LEU A 87 11.936 6.640 -6.604 1.00 70.20 C ATOM 1377 C LEU A 87 12.918 7.718 -6.162 1.00 40.32 C ATOM 1378 O LEU A 87 13.010 8.751 -6.818 1.00 4.43 O ATOM 1379 CB LEU A 87 10.641 6.833 -5.774 1.00 11.51 C ATOM 1380 CG LEU A 87 9.827 5.603 -5.393 1.00 24.21 C ATOM 1381 CD1 LEU A 87 8.685 5.949 -4.439 1.00 15.51 C ATOM 1382 CD2 LEU A 87 9.197 4.840 -6.531 1.00 21.13 C ATOM 0 H LEU A 87 12.138 4.702 -5.813 1.00 45.50 H new ATOM 0 HA LEU A 87 11.653 6.719 -7.654 1.00 70.20 H new ATOM 0 HB2 LEU A 87 10.913 7.348 -4.853 1.00 11.51 H new ATOM 0 HB3 LEU A 87 9.987 7.502 -6.333 1.00 11.51 H new ATOM 0 HG LEU A 87 10.586 4.968 -4.936 1.00 24.21 H new ATOM 0 HD11 LEU A 87 8.130 5.044 -4.193 1.00 15.51 H new ATOM 0 HD12 LEU A 87 9.092 6.385 -3.527 1.00 15.51 H new ATOM 0 HD13 LEU A 87 8.017 6.666 -4.916 1.00 15.51 H new ATOM 0 HD21 LEU A 87 8.645 3.987 -6.136 1.00 21.13 H new ATOM 0 HD22 LEU A 87 8.515 5.494 -7.074 1.00 21.13 H new ATOM 0 HD23 LEU A 87 9.976 4.486 -7.207 1.00 21.13 H new ATOM 1394 N GLY A 88 13.560 7.513 -5.008 1.00 31.32 N ATOM 1395 CA GLY A 88 14.358 8.523 -4.329 1.00 34.44 C ATOM 1396 C GLY A 88 13.581 9.270 -3.242 1.00 13.45 C ATOM 1397 O GLY A 88 13.966 10.393 -2.903 1.00 61.51 O ATOM 0 H GLY A 88 13.535 6.621 -4.515 1.00 31.32 H new ATOM 0 HA2 GLY A 88 15.231 8.048 -3.882 1.00 34.44 H new ATOM 0 HA3 GLY A 88 14.726 9.240 -5.062 1.00 34.44 H new ATOM 1401 N PHE A 89 12.477 8.728 -2.708 1.00 33.40 N ATOM 1402 CA PHE A 89 11.854 9.291 -1.505 1.00 12.42 C ATOM 1403 C PHE A 89 12.612 8.828 -0.247 1.00 22.31 C ATOM 1404 O PHE A 89 13.557 8.054 -0.344 1.00 1.12 O ATOM 1405 CB PHE A 89 10.334 9.070 -1.505 1.00 44.22 C ATOM 1406 CG PHE A 89 9.623 9.575 -0.261 1.00 22.54 C ATOM 1407 CD1 PHE A 89 9.700 10.938 0.085 1.00 14.33 C ATOM 1408 CD2 PHE A 89 8.934 8.685 0.585 1.00 44.40 C ATOM 1409 CE1 PHE A 89 9.120 11.395 1.280 1.00 24.12 C ATOM 1410 CE2 PHE A 89 8.362 9.141 1.784 1.00 2.20 C ATOM 1411 CZ PHE A 89 8.448 10.499 2.127 1.00 75.12 C ATOM 0 H PHE A 89 12.002 7.909 -3.087 1.00 33.40 H new ATOM 0 HA PHE A 89 11.949 10.377 -1.501 1.00 12.42 H new ATOM 0 HB2 PHE A 89 9.908 9.565 -2.378 1.00 44.22 H new ATOM 0 HB3 PHE A 89 10.135 8.004 -1.614 1.00 44.22 H new ATOM 0 HD1 PHE A 89 10.206 11.633 -0.569 1.00 14.33 H new ATOM 0 HD2 PHE A 89 8.845 7.644 0.310 1.00 44.40 H new ATOM 0 HE1 PHE A 89 9.191 12.439 1.548 1.00 24.12 H new ATOM 0 HE2 PHE A 89 7.857 8.448 2.441 1.00 2.20 H new ATOM 0 HZ PHE A 89 7.998 10.855 3.042 1.00 75.12 H new ATOM 1567 N ARG A 100 -0.932 12.129 8.462 1.00 65.01 N ATOM 1568 CA ARG A 100 -1.590 11.671 7.247 1.00 33.44 C ATOM 1569 C ARG A 100 -0.581 11.238 6.196 1.00 52.05 C ATOM 1570 O ARG A 100 -0.828 10.322 5.424 1.00 22.31 O ATOM 1571 CB ARG A 100 -2.500 12.785 6.727 1.00 11.22 C ATOM 1572 CG ARG A 100 -3.669 12.986 7.698 1.00 63.42 C ATOM 1573 CD ARG A 100 -4.572 14.109 7.213 1.00 52.33 C ATOM 1574 NE ARG A 100 -5.602 14.416 8.213 1.00 60.44 N ATOM 1575 CZ ARG A 100 -6.551 15.340 8.067 1.00 23.23 C ATOM 1576 NH1 ARG A 100 -6.617 16.031 6.935 1.00 44.21 N ATOM 1577 NH2 ARG A 100 -7.414 15.552 9.058 1.00 51.11 N ATOM 0 HA ARG A 100 -2.194 10.793 7.475 1.00 33.44 H new ATOM 0 HB2 ARG A 100 -1.936 13.712 6.624 1.00 11.22 H new ATOM 0 HB3 ARG A 100 -2.876 12.529 5.736 1.00 11.22 H new ATOM 0 HG2 ARG A 100 -4.241 12.062 7.785 1.00 63.42 H new ATOM 0 HG3 ARG A 100 -3.288 13.220 8.692 1.00 63.42 H new ATOM 0 HD2 ARG A 100 -3.977 15.000 7.012 1.00 52.33 H new ATOM 0 HD3 ARG A 100 -5.044 13.822 6.273 1.00 52.33 H new ATOM 0 HE ARG A 100 -5.590 13.883 9.083 1.00 60.44 H new ATOM 0 HH11 ARG A 100 -5.946 15.852 6.188 1.00 44.21 H new ATOM 0 HH12 ARG A 100 -7.339 16.741 6.812 1.00 44.21 H new ATOM 0 HH21 ARG A 100 -7.345 15.010 9.919 1.00 51.11 H new ATOM 0 HH22 ARG A 100 -8.144 16.257 8.956 1.00 51.11 H new ATOM 1591 N LYS A 101 0.578 11.884 6.159 1.00 60.31 N ATOM 1592 CA LYS A 101 1.637 11.602 5.215 1.00 44.11 C ATOM 1593 C LYS A 101 2.419 10.393 5.706 1.00 71.31 C ATOM 1594 O LYS A 101 2.591 9.447 4.944 1.00 72.30 O ATOM 1595 CB LYS A 101 2.482 12.875 5.040 1.00 10.42 C ATOM 1596 CG LYS A 101 1.960 13.748 3.878 1.00 32.14 C ATOM 1597 CD LYS A 101 2.668 15.116 3.808 1.00 33.34 C ATOM 1598 CE LYS A 101 3.013 15.609 2.398 1.00 71.12 C ATOM 1599 NZ LYS A 101 1.836 15.794 1.532 1.00 40.30 N ATOM 0 H LYS A 101 0.807 12.639 6.806 1.00 60.31 H new ATOM 0 HA LYS A 101 1.257 11.341 4.227 1.00 44.11 H new ATOM 0 HB2 LYS A 101 2.467 13.452 5.965 1.00 10.42 H new ATOM 0 HB3 LYS A 101 3.520 12.601 4.852 1.00 10.42 H new ATOM 0 HG2 LYS A 101 2.104 13.219 2.936 1.00 32.14 H new ATOM 0 HG3 LYS A 101 0.887 13.902 3.996 1.00 32.14 H new ATOM 0 HD2 LYS A 101 2.032 15.860 4.289 1.00 33.34 H new ATOM 0 HD3 LYS A 101 3.588 15.060 4.390 1.00 33.34 H new ATOM 0 HE2 LYS A 101 3.549 16.555 2.474 1.00 71.12 H new ATOM 0 HE3 LYS A 101 3.690 14.895 1.929 1.00 71.12 H new ATOM 0 HZ1 LYS A 101 2.130 15.759 0.535 1.00 40.30 H new ATOM 0 HZ2 LYS A 101 1.147 15.037 1.717 1.00 40.30 H new ATOM 0 HZ3 LYS A 101 1.399 16.716 1.732 1.00 40.30 H new ATOM 1613 N THR A 102 2.862 10.357 6.960 1.00 4.15 N ATOM 1614 CA THR A 102 3.708 9.262 7.427 1.00 65.43 C ATOM 1615 C THR A 102 2.990 7.910 7.376 1.00 14.41 C ATOM 1616 O THR A 102 3.599 6.907 7.007 1.00 73.43 O ATOM 1617 CB THR A 102 4.261 9.595 8.814 1.00 43.21 C ATOM 1618 OG1 THR A 102 3.229 9.991 9.692 1.00 21.41 O ATOM 1619 CG2 THR A 102 5.264 10.741 8.676 1.00 72.11 C ATOM 0 H THR A 102 2.652 11.065 7.664 1.00 4.15 H new ATOM 0 HA THR A 102 4.553 9.158 6.746 1.00 65.43 H new ATOM 0 HB THR A 102 4.739 8.706 9.224 1.00 43.21 H new ATOM 0 HG1 THR A 102 3.609 10.196 10.572 1.00 21.41 H new ATOM 0 HG21 THR A 102 5.668 10.991 9.657 1.00 72.11 H new ATOM 0 HG22 THR A 102 6.076 10.436 8.016 1.00 72.11 H new ATOM 0 HG23 THR A 102 4.764 11.614 8.257 1.00 72.11 H new ATOM 1627 N ARG A 103 1.679 7.870 7.645 1.00 40.22 N ATOM 1628 CA ARG A 103 0.874 6.657 7.474 1.00 32.53 C ATOM 1629 C ARG A 103 0.856 6.146 6.028 1.00 62.13 C ATOM 1630 O ARG A 103 0.569 4.971 5.812 1.00 71.15 O ATOM 1631 CB ARG A 103 -0.565 6.909 7.965 1.00 5.10 C ATOM 1632 CG ARG A 103 -0.706 7.191 9.474 1.00 73.42 C ATOM 1633 CD ARG A 103 -0.282 6.031 10.373 1.00 10.40 C ATOM 1634 NE ARG A 103 1.164 5.997 10.667 1.00 2.10 N ATOM 1635 CZ ARG A 103 1.779 4.947 11.230 1.00 51.31 C ATOM 1636 NH1 ARG A 103 1.057 3.924 11.672 1.00 43.11 N ATOM 1637 NH2 ARG A 103 3.105 4.906 11.326 1.00 22.34 N ATOM 0 H ARG A 103 1.150 8.673 7.985 1.00 40.22 H new ATOM 0 HA ARG A 103 1.343 5.878 8.075 1.00 32.53 H new ATOM 0 HB2 ARG A 103 -0.976 7.755 7.414 1.00 5.10 H new ATOM 0 HB3 ARG A 103 -1.174 6.040 7.716 1.00 5.10 H new ATOM 0 HG2 ARG A 103 -0.108 8.067 9.725 1.00 73.42 H new ATOM 0 HG3 ARG A 103 -1.745 7.441 9.689 1.00 73.42 H new ATOM 0 HD2 ARG A 103 -0.832 6.093 11.312 1.00 10.40 H new ATOM 0 HD3 ARG A 103 -0.568 5.093 9.897 1.00 10.40 H new ATOM 0 HE ARG A 103 1.725 6.815 10.429 1.00 2.10 H new ATOM 0 HH11 ARG A 103 0.041 3.940 11.582 1.00 43.11 H new ATOM 0 HH12 ARG A 103 1.518 3.122 12.101 1.00 43.11 H new ATOM 0 HH21 ARG A 103 3.666 5.679 10.969 1.00 22.34 H new ATOM 0 HH22 ARG A 103 3.561 4.101 11.757 1.00 22.34 H new ATOM 1651 N ARG A 104 1.139 6.981 5.025 1.00 51.23 N ATOM 1652 CA ARG A 104 1.156 6.567 3.621 1.00 34.22 C ATOM 1653 C ARG A 104 2.432 5.794 3.320 1.00 13.10 C ATOM 1654 O ARG A 104 2.363 4.744 2.682 1.00 4.24 O ATOM 1655 CB ARG A 104 1.078 7.781 2.683 1.00 23.32 C ATOM 1656 CG ARG A 104 -0.122 8.716 2.895 1.00 64.20 C ATOM 1657 CD ARG A 104 -1.291 8.557 1.912 1.00 70.22 C ATOM 1658 NE ARG A 104 -1.712 9.849 1.328 1.00 3.11 N ATOM 1659 CZ ARG A 104 -2.317 10.855 1.976 1.00 71.11 C ATOM 1660 NH1 ARG A 104 -2.537 10.789 3.280 1.00 32.25 N ATOM 1661 NH2 ARG A 104 -2.695 11.942 1.323 1.00 3.44 N ATOM 0 H ARG A 104 1.363 7.966 5.165 1.00 51.23 H new ATOM 0 HA ARG A 104 0.286 5.933 3.452 1.00 34.22 H new ATOM 0 HB2 ARG A 104 1.992 8.363 2.797 1.00 23.32 H new ATOM 0 HB3 ARG A 104 1.056 7.420 1.655 1.00 23.32 H new ATOM 0 HG2 ARG A 104 -0.501 8.562 3.905 1.00 64.20 H new ATOM 0 HG3 ARG A 104 0.233 9.745 2.841 1.00 64.20 H new ATOM 0 HD2 ARG A 104 -1.000 7.877 1.112 1.00 70.22 H new ATOM 0 HD3 ARG A 104 -2.136 8.101 2.427 1.00 70.22 H new ATOM 0 HE ARG A 104 -1.524 9.988 0.335 1.00 3.11 H new ATOM 0 HH11 ARG A 104 -2.245 9.965 3.805 1.00 32.25 H new ATOM 0 HH12 ARG A 104 -2.998 11.562 3.759 1.00 32.25 H new ATOM 0 HH21 ARG A 104 -2.527 12.019 0.320 1.00 3.44 H new ATOM 0 HH22 ARG A 104 -3.155 12.703 1.823 1.00 3.44 H new ATOM 1675 N ALA A 105 3.582 6.306 3.777 1.00 65.31 N ATOM 1676 CA ALA A 105 4.916 5.843 3.382 1.00 5.42 C ATOM 1677 C ALA A 105 5.113 4.333 3.545 1.00 51.14 C ATOM 1678 O ALA A 105 5.783 3.705 2.718 1.00 53.10 O ATOM 1679 CB ALA A 105 5.984 6.592 4.185 1.00 25.54 C ATOM 0 H ALA A 105 3.610 7.073 4.449 1.00 65.31 H new ATOM 0 HA ALA A 105 5.015 6.057 2.318 1.00 5.42 H new ATOM 0 HB1 ALA A 105 6.973 6.244 3.888 1.00 25.54 H new ATOM 0 HB2 ALA A 105 5.902 7.661 3.991 1.00 25.54 H new ATOM 0 HB3 ALA A 105 5.838 6.404 5.249 1.00 25.54 H new ATOM 1685 N THR A 106 4.540 3.742 4.596 1.00 41.44 N ATOM 1686 CA THR A 106 4.626 2.311 4.840 1.00 24.32 C ATOM 1687 C THR A 106 3.982 1.519 3.692 1.00 24.35 C ATOM 1688 O THR A 106 4.481 0.458 3.306 1.00 51.51 O ATOM 1689 CB THR A 106 3.919 1.997 6.170 1.00 1.11 C ATOM 1690 OG1 THR A 106 4.228 2.939 7.182 1.00 13.23 O ATOM 1691 CG2 THR A 106 4.256 0.598 6.691 1.00 71.14 C ATOM 0 H THR A 106 4.003 4.249 5.300 1.00 41.44 H new ATOM 0 HA THR A 106 5.674 2.016 4.897 1.00 24.32 H new ATOM 0 HB THR A 106 2.854 2.051 5.944 1.00 1.11 H new ATOM 0 HG1 THR A 106 3.756 2.700 8.007 1.00 13.23 H new ATOM 0 HG21 THR A 106 3.733 0.424 7.631 1.00 71.14 H new ATOM 0 HG22 THR A 106 3.945 -0.148 5.959 1.00 71.14 H new ATOM 0 HG23 THR A 106 5.331 0.520 6.854 1.00 71.14 H new ATOM 1699 N MET A 107 2.875 2.017 3.145 1.00 75.03 N ATOM 1700 CA MET A 107 2.209 1.398 2.014 1.00 65.23 C ATOM 1701 C MET A 107 2.999 1.624 0.732 1.00 61.25 C ATOM 1702 O MET A 107 3.080 0.717 -0.090 1.00 71.01 O ATOM 1703 CB MET A 107 0.785 1.922 1.862 1.00 45.12 C ATOM 1704 CG MET A 107 -0.053 1.653 3.111 1.00 33.55 C ATOM 1705 SD MET A 107 -1.833 1.744 2.843 1.00 14.22 S ATOM 1706 CE MET A 107 -2.113 3.497 2.553 1.00 51.40 C ATOM 0 H MET A 107 2.417 2.865 3.479 1.00 75.03 H new ATOM 0 HA MET A 107 2.158 0.326 2.203 1.00 65.23 H new ATOM 0 HB2 MET A 107 0.811 2.994 1.665 1.00 45.12 H new ATOM 0 HB3 MET A 107 0.314 1.451 0.999 1.00 45.12 H new ATOM 0 HG2 MET A 107 0.195 0.663 3.494 1.00 33.55 H new ATOM 0 HG3 MET A 107 0.224 2.372 3.882 1.00 33.55 H new ATOM 0 HE1 MET A 107 -3.075 3.786 2.975 1.00 51.40 H new ATOM 0 HE2 MET A 107 -1.320 4.075 3.027 1.00 51.40 H new ATOM 0 HE3 MET A 107 -2.114 3.693 1.481 1.00 51.40 H new ATOM 1716 N THR A 108 3.609 2.796 0.546 1.00 35.14 N ATOM 1717 CA THR A 108 4.331 3.107 -0.681 1.00 51.24 C ATOM 1718 C THR A 108 5.485 2.132 -0.907 1.00 13.31 C ATOM 1719 O THR A 108 5.652 1.642 -2.023 1.00 61.43 O ATOM 1720 CB THR A 108 4.779 4.583 -0.694 1.00 62.02 C ATOM 1721 OG1 THR A 108 3.961 5.380 0.150 1.00 64.20 O ATOM 1722 CG2 THR A 108 4.638 5.129 -2.116 1.00 23.23 C ATOM 0 H THR A 108 3.615 3.547 1.236 1.00 35.14 H new ATOM 0 HA THR A 108 3.653 2.978 -1.525 1.00 51.24 H new ATOM 0 HB THR A 108 5.810 4.625 -0.343 1.00 62.02 H new ATOM 0 HG1 THR A 108 4.270 6.310 0.122 1.00 64.20 H new ATOM 0 HG21 THR A 108 4.952 6.173 -2.138 1.00 23.23 H new ATOM 0 HG22 THR A 108 5.264 4.547 -2.793 1.00 23.23 H new ATOM 0 HG23 THR A 108 3.597 5.057 -2.432 1.00 23.23 H new ATOM 1730 N ASN A 109 6.239 1.779 0.142 1.00 10.52 N ATOM 1731 CA ASN A 109 7.321 0.812 -0.038 1.00 3.53 C ATOM 1732 C ASN A 109 6.770 -0.588 -0.322 1.00 73.23 C ATOM 1733 O ASN A 109 7.361 -1.353 -1.074 1.00 41.44 O ATOM 1734 CB ASN A 109 8.224 0.715 1.198 1.00 1.21 C ATOM 1735 CG ASN A 109 9.536 0.064 0.783 1.00 74.54 C ATOM 1736 OD1 ASN A 109 10.415 0.720 0.230 1.00 61.10 O ATOM 1737 ND2 ASN A 109 9.661 -1.229 1.016 1.00 74.51 N ATOM 0 H ASN A 109 6.125 2.135 1.091 1.00 10.52 H new ATOM 0 HA ASN A 109 7.904 1.173 -0.886 1.00 3.53 H new ATOM 0 HB2 ASN A 109 8.407 1.706 1.613 1.00 1.21 H new ATOM 0 HB3 ASN A 109 7.739 0.128 1.977 1.00 1.21 H new ATOM 0 HD21 ASN A 109 10.510 -1.718 0.734 1.00 74.51 H new ATOM 0 HD22 ASN A 109 8.908 -1.739 1.478 1.00 74.51 H new ATOM 1744 N TRP A 110 5.642 -0.951 0.294 1.00 63.01 N ATOM 1745 CA TRP A 110 5.015 -2.244 0.057 1.00 40.34 C ATOM 1746 C TRP A 110 4.528 -2.351 -1.394 1.00 43.25 C ATOM 1747 O TRP A 110 4.721 -3.387 -2.023 1.00 32.31 O ATOM 1748 CB TRP A 110 3.878 -2.448 1.064 1.00 54.03 C ATOM 1749 CG TRP A 110 3.013 -3.628 0.771 1.00 72.52 C ATOM 1750 CD1 TRP A 110 3.243 -4.912 1.132 1.00 3.31 C ATOM 1751 CD2 TRP A 110 1.780 -3.643 0.000 1.00 42.03 C ATOM 1752 NE1 TRP A 110 2.250 -5.716 0.606 1.00 43.52 N ATOM 1753 CE2 TRP A 110 1.323 -4.986 -0.103 1.00 72.11 C ATOM 1754 CE3 TRP A 110 1.014 -2.643 -0.630 1.00 74.22 C ATOM 1755 CZ2 TRP A 110 0.162 -5.322 -0.813 1.00 64.24 C ATOM 1756 CZ3 TRP A 110 -0.143 -2.972 -1.355 1.00 41.42 C ATOM 1757 CH2 TRP A 110 -0.565 -4.307 -1.448 1.00 44.44 C ATOM 0 H TRP A 110 5.146 -0.361 0.963 1.00 63.01 H new ATOM 0 HA TRP A 110 5.746 -3.040 0.203 1.00 40.34 H new ATOM 0 HB2 TRP A 110 4.305 -2.562 2.060 1.00 54.03 H new ATOM 0 HB3 TRP A 110 3.258 -1.552 1.083 1.00 54.03 H new ATOM 0 HD1 TRP A 110 4.071 -5.254 1.735 1.00 3.31 H new ATOM 0 HE1 TRP A 110 2.209 -6.728 0.728 1.00 43.52 H new ATOM 0 HE3 TRP A 110 1.320 -1.610 -0.555 1.00 74.22 H new ATOM 0 HZ2 TRP A 110 -0.167 -6.349 -0.870 1.00 64.24 H new ATOM 0 HZ3 TRP A 110 -0.711 -2.194 -1.843 1.00 41.42 H new ATOM 0 HH2 TRP A 110 -1.453 -4.553 -2.011 1.00 44.44 H new ATOM 1768 N LEU A 111 3.954 -1.279 -1.951 1.00 70.14 N ATOM 1769 CA LEU A 111 3.409 -1.274 -3.308 1.00 73.21 C ATOM 1770 C LEU A 111 4.539 -1.559 -4.292 1.00 22.24 C ATOM 1771 O LEU A 111 4.430 -2.416 -5.167 1.00 64.03 O ATOM 1772 CB LEU A 111 2.776 0.091 -3.642 1.00 51.12 C ATOM 1773 CG LEU A 111 1.357 0.340 -3.099 1.00 23.15 C ATOM 1774 CD1 LEU A 111 1.026 1.836 -3.129 1.00 61.12 C ATOM 1775 CD2 LEU A 111 0.289 -0.381 -3.925 1.00 12.13 C ATOM 0 H LEU A 111 3.855 -0.386 -1.468 1.00 70.14 H new ATOM 0 HA LEU A 111 2.636 -2.039 -3.381 1.00 73.21 H new ATOM 0 HB2 LEU A 111 3.430 0.874 -3.259 1.00 51.12 H new ATOM 0 HB3 LEU A 111 2.751 0.199 -4.726 1.00 51.12 H new ATOM 0 HG LEU A 111 1.348 -0.044 -2.079 1.00 23.15 H new ATOM 0 HD11 LEU A 111 0.019 1.994 -2.742 1.00 61.12 H new ATOM 0 HD12 LEU A 111 1.742 2.379 -2.512 1.00 61.12 H new ATOM 0 HD13 LEU A 111 1.081 2.200 -4.155 1.00 61.12 H new ATOM 0 HD21 LEU A 111 -0.696 -0.176 -3.505 1.00 12.13 H new ATOM 0 HD22 LEU A 111 0.325 -0.026 -4.955 1.00 12.13 H new ATOM 0 HD23 LEU A 111 0.476 -1.455 -3.904 1.00 12.13 H new ATOM 1787 N LEU A 112 5.641 -0.826 -4.145 1.00 11.01 N ATOM 1788 CA LEU A 112 6.705 -0.832 -5.138 1.00 10.04 C ATOM 1789 C LEU A 112 7.625 -2.055 -4.957 1.00 41.23 C ATOM 1790 O LEU A 112 8.274 -2.487 -5.904 1.00 31.53 O ATOM 1791 CB LEU A 112 7.331 0.576 -5.179 1.00 34.21 C ATOM 1792 CG LEU A 112 8.689 0.939 -4.605 1.00 15.44 C ATOM 1793 CD1 LEU A 112 8.780 0.353 -3.207 1.00 22.11 C ATOM 1794 CD2 LEU A 112 9.793 0.610 -5.614 1.00 61.41 C ATOM 0 H LEU A 112 5.817 -0.220 -3.344 1.00 11.01 H new ATOM 0 HA LEU A 112 6.347 -0.995 -6.155 1.00 10.04 H new ATOM 0 HB2 LEU A 112 7.365 0.859 -6.231 1.00 34.21 H new ATOM 0 HB3 LEU A 112 6.613 1.238 -4.694 1.00 34.21 H new ATOM 0 HG LEU A 112 8.834 2.009 -4.457 1.00 15.44 H new ATOM 0 HD11 LEU A 112 9.748 0.600 -2.771 1.00 22.11 H new ATOM 0 HD12 LEU A 112 7.986 0.768 -2.586 1.00 22.11 H new ATOM 0 HD13 LEU A 112 8.671 -0.730 -3.259 1.00 22.11 H new ATOM 0 HD21 LEU A 112 10.762 0.874 -5.192 1.00 61.41 H new ATOM 0 HD22 LEU A 112 9.774 -0.456 -5.839 1.00 61.41 H new ATOM 0 HD23 LEU A 112 9.629 1.177 -6.530 1.00 61.41 H new ATOM 1806 N ALA A 113 7.606 -2.693 -3.782 1.00 25.10 N ATOM 1807 CA ALA A 113 8.155 -4.034 -3.569 1.00 15.33 C ATOM 1808 C ALA A 113 7.259 -5.113 -4.179 1.00 41.20 C ATOM 1809 O ALA A 113 7.776 -6.066 -4.753 1.00 44.31 O ATOM 1810 CB ALA A 113 8.303 -4.285 -2.066 1.00 3.33 C ATOM 0 H ALA A 113 7.202 -2.284 -2.939 1.00 25.10 H new ATOM 0 HA ALA A 113 9.126 -4.086 -4.061 1.00 15.33 H new ATOM 0 HB1 ALA A 113 8.711 -5.282 -1.902 1.00 3.33 H new ATOM 0 HB2 ALA A 113 8.976 -3.542 -1.638 1.00 3.33 H new ATOM 0 HB3 ALA A 113 7.327 -4.209 -1.587 1.00 3.33 H new ATOM 1816 N TYR A 114 5.933 -4.995 -4.072 1.00 11.15 N ATOM 1817 CA TYR A 114 5.011 -6.008 -4.574 1.00 65.41 C ATOM 1818 C TYR A 114 5.251 -6.273 -6.060 1.00 24.12 C ATOM 1819 O TYR A 114 5.375 -7.434 -6.444 1.00 45.50 O ATOM 1820 CB TYR A 114 3.566 -5.594 -4.296 1.00 60.41 C ATOM 1821 CG TYR A 114 2.513 -6.447 -4.979 1.00 34.14 C ATOM 1822 CD1 TYR A 114 2.326 -7.785 -4.592 1.00 64.25 C ATOM 1823 CD2 TYR A 114 1.694 -5.889 -5.981 1.00 4.30 C ATOM 1824 CE1 TYR A 114 1.332 -8.560 -5.211 1.00 31.20 C ATOM 1825 CE2 TYR A 114 0.644 -6.633 -6.545 1.00 74.22 C ATOM 1826 CZ TYR A 114 0.487 -7.990 -6.193 1.00 2.15 C ATOM 1827 OH TYR A 114 -0.531 -8.710 -6.731 1.00 20.44 O ATOM 0 H TYR A 114 5.473 -4.196 -3.636 1.00 11.15 H new ATOM 0 HA TYR A 114 5.196 -6.944 -4.047 1.00 65.41 H new ATOM 0 HB2 TYR A 114 3.395 -5.625 -3.220 1.00 60.41 H new ATOM 0 HB3 TYR A 114 3.433 -4.559 -4.610 1.00 60.41 H new ATOM 0 HD1 TYR A 114 2.946 -8.216 -3.820 1.00 64.25 H new ATOM 0 HD2 TYR A 114 1.875 -4.879 -6.319 1.00 4.30 H new ATOM 0 HE1 TYR A 114 1.212 -9.597 -4.936 1.00 31.20 H new ATOM 0 HE2 TYR A 114 -0.038 -6.169 -7.243 1.00 74.22 H new ATOM 0 HH TYR A 114 -1.260 -8.106 -6.985 1.00 20.44 H new ATOM 1837 N ARG A 115 5.391 -5.226 -6.883 1.00 4.41 N ATOM 1838 CA ARG A 115 5.675 -5.398 -8.308 1.00 24.13 C ATOM 1839 C ARG A 115 6.964 -6.188 -8.541 1.00 12.23 C ATOM 1840 O ARG A 115 6.994 -7.055 -9.410 1.00 4.43 O ATOM 1841 CB ARG A 115 5.700 -4.055 -9.059 1.00 21.21 C ATOM 1842 CG ARG A 115 6.505 -2.963 -8.339 1.00 53.22 C ATOM 1843 CD ARG A 115 6.756 -1.685 -9.157 1.00 10.11 C ATOM 1844 NE ARG A 115 8.197 -1.366 -9.228 1.00 55.13 N ATOM 1845 CZ ARG A 115 9.109 -2.002 -9.977 1.00 54.50 C ATOM 1846 NH1 ARG A 115 8.741 -2.974 -10.801 1.00 63.23 N ATOM 1847 NH2 ARG A 115 10.395 -1.693 -9.913 1.00 43.42 N ATOM 0 H ARG A 115 5.312 -4.254 -6.585 1.00 4.41 H new ATOM 0 HA ARG A 115 4.853 -5.984 -8.720 1.00 24.13 H new ATOM 0 HB2 ARG A 115 6.122 -4.211 -10.052 1.00 21.21 H new ATOM 0 HB3 ARG A 115 4.676 -3.707 -9.199 1.00 21.21 H new ATOM 0 HG2 ARG A 115 5.980 -2.691 -7.423 1.00 53.22 H new ATOM 0 HG3 ARG A 115 7.467 -3.380 -8.043 1.00 53.22 H new ATOM 0 HD2 ARG A 115 6.360 -1.812 -10.164 1.00 10.11 H new ATOM 0 HD3 ARG A 115 6.219 -0.851 -8.706 1.00 10.11 H new ATOM 0 HE ARG A 115 8.528 -0.590 -8.654 1.00 55.13 H new ATOM 0 HH11 ARG A 115 7.759 -3.242 -10.868 1.00 63.23 H new ATOM 0 HH12 ARG A 115 9.440 -3.454 -11.368 1.00 63.23 H new ATOM 0 HH21 ARG A 115 10.712 -0.956 -9.283 1.00 43.42 H new ATOM 0 HH22 ARG A 115 11.069 -2.192 -10.494 1.00 43.42 H new ATOM 1861 N ARG A 116 8.030 -5.921 -7.779 1.00 21.53 N ATOM 1862 CA ARG A 116 9.274 -6.686 -7.858 1.00 53.12 C ATOM 1863 C ARG A 116 8.993 -8.156 -7.529 1.00 45.03 C ATOM 1864 O ARG A 116 9.375 -9.036 -8.294 1.00 73.35 O ATOM 1865 CB ARG A 116 10.322 -6.073 -6.914 1.00 5.03 C ATOM 1866 CG ARG A 116 10.861 -4.689 -7.302 1.00 71.34 C ATOM 1867 CD ARG A 116 11.733 -4.769 -8.554 1.00 65.42 C ATOM 1868 NE ARG A 116 12.665 -3.634 -8.675 1.00 15.21 N ATOM 1869 CZ ARG A 116 13.819 -3.730 -9.347 1.00 53.24 C ATOM 1870 NH1 ARG A 116 13.974 -4.583 -10.349 1.00 60.12 N ATOM 1871 NH2 ARG A 116 14.861 -2.996 -9.005 1.00 42.44 N ATOM 0 H ARG A 116 8.052 -5.168 -7.091 1.00 21.53 H new ATOM 0 HA ARG A 116 9.678 -6.643 -8.869 1.00 53.12 H new ATOM 0 HB2 ARG A 116 9.885 -6.003 -5.918 1.00 5.03 H new ATOM 0 HB3 ARG A 116 11.164 -6.761 -6.845 1.00 5.03 H new ATOM 0 HG2 ARG A 116 10.029 -4.007 -7.478 1.00 71.34 H new ATOM 0 HG3 ARG A 116 11.441 -4.277 -6.477 1.00 71.34 H new ATOM 0 HD2 ARG A 116 12.301 -5.699 -8.537 1.00 65.42 H new ATOM 0 HD3 ARG A 116 11.093 -4.803 -9.435 1.00 65.42 H new ATOM 0 HE ARG A 116 12.423 -2.747 -8.233 1.00 15.21 H new ATOM 0 HH11 ARG A 116 13.202 -5.189 -10.627 1.00 60.12 H new ATOM 0 HH12 ARG A 116 14.865 -4.634 -10.842 1.00 60.12 H new ATOM 0 HH21 ARG A 116 14.792 -2.347 -8.221 1.00 42.44 H new ATOM 0 HH22 ARG A 116 15.735 -3.078 -9.524 1.00 42.44 H new ATOM 1885 N SER A 117 8.235 -8.400 -6.463 1.00 25.44 N ATOM 1886 CA SER A 117 7.850 -9.717 -5.955 1.00 33.44 C ATOM 1887 C SER A 117 7.120 -10.572 -7.002 1.00 65.43 C ATOM 1888 O SER A 117 7.084 -11.794 -6.866 1.00 5.01 O ATOM 1889 CB SER A 117 6.956 -9.523 -4.713 1.00 71.41 C ATOM 1890 OG SER A 117 7.342 -10.335 -3.614 1.00 53.34 O ATOM 0 H SER A 117 7.851 -7.643 -5.898 1.00 25.44 H new ATOM 0 HA SER A 117 8.761 -10.257 -5.698 1.00 33.44 H new ATOM 0 HB2 SER A 117 6.986 -8.476 -4.411 1.00 71.41 H new ATOM 0 HB3 SER A 117 5.923 -9.748 -4.978 1.00 71.41 H new ATOM 0 HG SER A 117 6.742 -10.168 -2.857 1.00 53.34 H new ATOM 1896 N GLN A 118 6.525 -9.976 -8.040 1.00 1.14 N ATOM 1897 CA GLN A 118 5.863 -10.713 -9.119 1.00 32.45 C ATOM 1898 C GLN A 118 6.860 -11.460 -10.026 1.00 11.01 C ATOM 1899 O GLN A 118 6.437 -12.269 -10.850 1.00 63.43 O ATOM 1900 CB GLN A 118 4.989 -9.751 -9.943 1.00 44.54 C ATOM 1901 CG GLN A 118 3.857 -9.131 -9.104 1.00 74.02 C ATOM 1902 CD GLN A 118 3.065 -8.054 -9.843 1.00 74.52 C ATOM 1903 OE1 GLN A 118 3.592 -7.253 -10.613 1.00 54.12 O ATOM 1904 NE2 GLN A 118 1.769 -7.941 -9.603 1.00 1.24 N ATOM 0 H GLN A 118 6.489 -8.963 -8.155 1.00 1.14 H new ATOM 0 HA GLN A 118 5.234 -11.476 -8.660 1.00 32.45 H new ATOM 0 HB2 GLN A 118 5.613 -8.956 -10.352 1.00 44.54 H new ATOM 0 HB3 GLN A 118 4.560 -10.287 -10.789 1.00 44.54 H new ATOM 0 HG2 GLN A 118 3.174 -9.921 -8.791 1.00 74.02 H new ATOM 0 HG3 GLN A 118 4.283 -8.699 -8.198 1.00 74.02 H new ATOM 0 HE21 GLN A 118 1.309 -8.593 -8.968 1.00 1.24 H new ATOM 0 HE22 GLN A 118 1.230 -7.201 -10.053 1.00 1.24 H new