USER MOD reduce.3.24.130724 H: found=0, std=0, add=898, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 900 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 Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= -0.167 K(o=-0.17,f=-0.75) USER MOD Single : A 12 CYS SG : rot 51:sc= -1.19! USER MOD Single : A 15 THR OG1 : rot 75:sc= -0.616 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 1.18 K(o=1.2,f=-0.18) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 177:sc= -0.0201 (180deg=-0.0211) USER MOD Single : A 31 ASN : amide:sc= -0.279 K(o=-0.28,f=-6.5!) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 ASN : amide:sc= 0.18 K(o=0.18,f=-0.34) USER MOD Single : A 42 CYS SG : rot -31:sc= -5.1! USER MOD Single : A 49 SER OG : rot 180:sc= -0.132 USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 164:sc= 0.00969 (180deg=0) USER MOD Single : A 64 MET CE :methyl 153:sc= -1.52 (180deg=-2.41) USER MOD Single : A 82 TYR OH : rot 150:sc= 0 USER MOD Single : A 83 GLN : amide:sc= 0.845 K(o=0.85,f=0) USER MOD Single : A 84 MET CE :methyl -119:sc= -0.819 (180deg=-5.66!) USER MOD Single : A 89 GLN : amide:sc= -3.27! K(o=-3.3!,f=-0.89) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0.0449 USER MOD Single : A 105 SER OG : rot -16:sc= -1.46! USER MOD Single : A 106 ASN : amide:sc= 1.15 K(o=1.1,f=-0.0098) USER MOD Single : A 107 HIS : no HD1:sc= 0.577 K(o=0.58,f=-3.4!) USER MOD Single : A 112 CYS SG : rot -52:sc= -0.81 USER MOD Single : A 116 LYS NZ :NH3+ 142:sc= -1.93! (180deg=-3.37!) USER MOD Single : A 118 HIS : no HE2:sc= 0.8 K(o=0.8,f=-6!) USER MOD Single : A 121 MET CE :methyl 136:sc= -0.173 (180deg=-0.818) USER MOD ----------------------------------------------------------------- ATOM 59 N ALA A 5 -11.343 12.612 -9.353 1.00 0.00 N ATOM 60 CA ALA A 5 -10.754 11.747 -8.340 1.00 0.00 C ATOM 61 C ALA A 5 -9.712 10.852 -8.995 1.00 0.00 C ATOM 62 O ALA A 5 -10.019 10.123 -9.939 1.00 0.00 O ATOM 63 CB ALA A 5 -11.822 10.902 -7.656 1.00 0.00 C ATOM 0 HA ALA A 5 -10.280 12.365 -7.577 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -11.356 10.265 -6.904 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -12.551 11.555 -7.177 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -12.324 10.280 -8.397 1.00 0.00 H new ATOM 69 N TYR A 6 -8.484 10.917 -8.510 1.00 0.00 N ATOM 70 CA TYR A 6 -7.393 10.156 -9.104 1.00 0.00 C ATOM 71 C TYR A 6 -7.080 8.945 -8.241 1.00 0.00 C ATOM 72 O TYR A 6 -7.108 9.036 -7.018 1.00 0.00 O ATOM 73 CB TYR A 6 -6.152 11.037 -9.253 1.00 0.00 C ATOM 74 CG TYR A 6 -6.438 12.378 -9.894 1.00 0.00 C ATOM 75 CD1 TYR A 6 -6.637 12.493 -11.265 1.00 0.00 C ATOM 76 CD2 TYR A 6 -6.510 13.530 -9.123 1.00 0.00 C ATOM 77 CE1 TYR A 6 -6.898 13.721 -11.844 1.00 0.00 C ATOM 78 CE2 TYR A 6 -6.771 14.758 -9.695 1.00 0.00 C ATOM 79 CZ TYR A 6 -6.964 14.849 -11.054 1.00 0.00 C ATOM 80 OH TYR A 6 -7.219 16.075 -11.626 1.00 0.00 O ATOM 0 H TYR A 6 -8.215 11.487 -7.708 1.00 0.00 H new ATOM 0 HA TYR A 6 -7.696 9.816 -10.094 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -5.711 11.200 -8.269 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -5.410 10.508 -9.851 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -6.587 11.611 -11.886 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -6.359 13.464 -8.056 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -7.050 13.796 -12.911 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -6.824 15.643 -9.079 1.00 0.00 H new ATOM 0 HH TYR A 6 -7.233 16.764 -10.930 1.00 0.00 H new ATOM 90 N GLN A 7 -6.798 7.817 -8.872 1.00 0.00 N ATOM 91 CA GLN A 7 -6.521 6.586 -8.144 1.00 0.00 C ATOM 92 C GLN A 7 -5.030 6.255 -8.222 1.00 0.00 C ATOM 93 O GLN A 7 -4.555 5.705 -9.215 1.00 0.00 O ATOM 94 CB GLN A 7 -7.381 5.446 -8.710 1.00 0.00 C ATOM 95 CG GLN A 7 -7.422 4.189 -7.850 1.00 0.00 C ATOM 96 CD GLN A 7 -6.287 3.225 -8.140 1.00 0.00 C ATOM 97 OE1 GLN A 7 -5.228 3.278 -7.521 1.00 0.00 O ATOM 98 NE2 GLN A 7 -6.505 2.337 -9.096 1.00 0.00 N ATOM 0 H GLN A 7 -6.754 7.727 -9.887 1.00 0.00 H new ATOM 0 HA GLN A 7 -6.778 6.716 -7.093 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -8.399 5.810 -8.845 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -7.004 5.181 -9.698 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -7.386 4.475 -6.799 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -8.372 3.679 -8.010 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -7.399 2.325 -9.587 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -5.779 1.664 -9.342 1.00 0.00 H new ATOM 107 N PRO A 8 -4.266 6.656 -7.193 1.00 0.00 N ATOM 108 CA PRO A 8 -2.837 6.385 -7.100 1.00 0.00 C ATOM 109 C PRO A 8 -2.514 5.073 -6.391 1.00 0.00 C ATOM 110 O PRO A 8 -1.550 4.390 -6.756 1.00 0.00 O ATOM 111 CB PRO A 8 -2.306 7.564 -6.268 1.00 0.00 C ATOM 112 CG PRO A 8 -3.510 8.292 -5.742 1.00 0.00 C ATOM 113 CD PRO A 8 -4.718 7.454 -6.058 1.00 0.00 C ATOM 0 HA PRO A 8 -2.392 6.287 -8.090 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -1.679 7.210 -5.450 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -1.690 8.224 -6.879 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -3.423 8.450 -4.667 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -3.595 9.276 -6.203 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -5.009 6.829 -5.214 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -5.582 8.068 -6.313 1.00 0.00 H new ATOM 121 N ILE A 9 -3.320 4.743 -5.378 1.00 0.00 N ATOM 122 CA ILE A 9 -3.026 3.635 -4.473 1.00 0.00 C ATOM 123 C ILE A 9 -4.093 2.548 -4.604 1.00 0.00 C ATOM 124 O ILE A 9 -5.288 2.846 -4.619 1.00 0.00 O ATOM 125 CB ILE A 9 -2.975 4.106 -2.995 1.00 0.00 C ATOM 126 CG1 ILE A 9 -2.492 5.560 -2.887 1.00 0.00 C ATOM 127 CG2 ILE A 9 -2.055 3.202 -2.191 1.00 0.00 C ATOM 128 CD1 ILE A 9 -1.047 5.767 -3.291 1.00 0.00 C ATOM 0 H ILE A 9 -4.188 5.234 -5.165 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.049 3.239 -4.751 1.00 0.00 H new ATOM 0 HB ILE A 9 -3.986 4.051 -2.592 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.126 6.189 -3.512 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -2.622 5.899 -1.859 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -2.026 3.541 -1.155 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -2.428 2.178 -2.228 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -1.050 3.238 -2.613 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -0.787 6.820 -3.185 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -0.401 5.168 -2.650 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -0.912 5.462 -4.329 1.00 0.00 H new ATOM 140 N ALA A 10 -3.662 1.292 -4.660 1.00 0.00 N ATOM 141 CA ALA A 10 -4.565 0.174 -4.937 1.00 0.00 C ATOM 142 C ALA A 10 -5.551 -0.070 -3.799 1.00 0.00 C ATOM 143 O ALA A 10 -6.765 -0.084 -4.009 1.00 0.00 O ATOM 144 CB ALA A 10 -3.766 -1.088 -5.205 1.00 0.00 C ATOM 0 H ALA A 10 -2.690 1.019 -4.517 1.00 0.00 H new ATOM 0 HA ALA A 10 -5.144 0.439 -5.821 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -4.448 -1.914 -5.410 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -3.116 -0.931 -6.066 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -3.159 -1.327 -4.332 1.00 0.00 H new ATOM 150 N GLU A 11 -5.028 -0.284 -2.602 1.00 0.00 N ATOM 151 CA GLU A 11 -5.860 -0.571 -1.435 1.00 0.00 C ATOM 152 C GLU A 11 -6.622 0.671 -1.007 1.00 0.00 C ATOM 153 O GLU A 11 -7.847 0.644 -0.891 1.00 0.00 O ATOM 154 CB GLU A 11 -5.032 -1.096 -0.248 1.00 0.00 C ATOM 155 CG GLU A 11 -3.543 -1.268 -0.520 1.00 0.00 C ATOM 156 CD GLU A 11 -2.854 0.038 -0.855 1.00 0.00 C ATOM 157 OE1 GLU A 11 -2.861 0.952 -0.010 1.00 0.00 O ATOM 158 OE2 GLU A 11 -2.361 0.162 -1.994 1.00 0.00 O ATOM 0 H GLU A 11 -4.027 -0.265 -2.409 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.562 -1.351 -1.730 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -5.155 -0.411 0.591 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -5.441 -2.057 0.063 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -3.067 -1.711 0.355 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.407 -1.967 -1.345 1.00 0.00 H new ATOM 165 N CYS A 12 -5.889 1.759 -0.795 1.00 0.00 N ATOM 166 CA CYS A 12 -6.477 3.012 -0.352 1.00 0.00 C ATOM 167 C CYS A 12 -7.570 3.479 -1.314 1.00 0.00 C ATOM 168 O CYS A 12 -8.674 3.833 -0.897 1.00 0.00 O ATOM 169 CB CYS A 12 -5.392 4.079 -0.251 1.00 0.00 C ATOM 170 SG CYS A 12 -3.956 3.598 0.739 1.00 0.00 S ATOM 0 H CYS A 12 -4.878 1.795 -0.925 1.00 0.00 H new ATOM 0 HA CYS A 12 -6.929 2.851 0.626 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -5.056 4.333 -1.256 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -5.827 4.982 0.178 1.00 0.00 H new ATOM 0 HG CYS A 12 -3.523 2.439 0.340 1.00 0.00 H new ATOM 176 N GLY A 13 -7.267 3.457 -2.604 1.00 0.00 N ATOM 177 CA GLY A 13 -8.249 3.839 -3.597 1.00 0.00 C ATOM 178 C GLY A 13 -7.975 5.194 -4.213 1.00 0.00 C ATOM 179 O GLY A 13 -6.856 5.484 -4.636 1.00 0.00 O ATOM 0 H GLY A 13 -6.360 3.182 -2.980 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -8.272 3.086 -4.385 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -9.237 3.849 -3.137 1.00 0.00 H new ATOM 183 N ALA A 14 -8.998 6.033 -4.244 1.00 0.00 N ATOM 184 CA ALA A 14 -8.916 7.304 -4.940 1.00 0.00 C ATOM 185 C ALA A 14 -8.597 8.455 -3.993 1.00 0.00 C ATOM 186 O ALA A 14 -8.942 8.426 -2.811 1.00 0.00 O ATOM 187 CB ALA A 14 -10.216 7.579 -5.679 1.00 0.00 C ATOM 0 H ALA A 14 -9.896 5.855 -3.794 1.00 0.00 H new ATOM 0 HA ALA A 14 -8.098 7.234 -5.656 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -10.144 8.535 -6.198 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -10.397 6.785 -6.404 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -11.040 7.614 -4.966 1.00 0.00 H new ATOM 193 N THR A 15 -7.928 9.459 -4.531 1.00 0.00 N ATOM 194 CA THR A 15 -7.610 10.670 -3.801 1.00 0.00 C ATOM 195 C THR A 15 -8.204 11.875 -4.529 1.00 0.00 C ATOM 196 O THR A 15 -8.165 11.944 -5.760 1.00 0.00 O ATOM 197 CB THR A 15 -6.085 10.840 -3.668 1.00 0.00 C ATOM 198 OG1 THR A 15 -5.505 9.601 -3.245 1.00 0.00 O ATOM 199 CG2 THR A 15 -5.738 11.928 -2.661 1.00 0.00 C ATOM 0 H THR A 15 -7.589 9.456 -5.493 1.00 0.00 H new ATOM 0 HA THR A 15 -8.037 10.599 -2.801 1.00 0.00 H new ATOM 0 HB THR A 15 -5.686 11.131 -4.640 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.489 8.973 -3.997 1.00 0.00 H new ATOM 0 HG21 THR A 15 -4.655 12.025 -2.589 1.00 0.00 H new ATOM 0 HG22 THR A 15 -6.166 12.876 -2.987 1.00 0.00 H new ATOM 0 HG23 THR A 15 -6.144 11.663 -1.685 1.00 0.00 H new ATOM 207 N THR A 16 -8.758 12.813 -3.777 1.00 0.00 N ATOM 208 CA THR A 16 -9.445 13.957 -4.366 1.00 0.00 C ATOM 209 C THR A 16 -8.481 15.128 -4.589 1.00 0.00 C ATOM 210 O THR A 16 -8.886 16.229 -4.957 1.00 0.00 O ATOM 211 CB THR A 16 -10.613 14.406 -3.463 1.00 0.00 C ATOM 212 OG1 THR A 16 -11.230 13.252 -2.869 1.00 0.00 O ATOM 213 CG2 THR A 16 -11.657 15.180 -4.259 1.00 0.00 C ATOM 0 H THR A 16 -8.747 12.807 -2.757 1.00 0.00 H new ATOM 0 HA THR A 16 -9.838 13.647 -5.334 1.00 0.00 H new ATOM 0 HB THR A 16 -10.214 15.060 -2.688 1.00 0.00 H new ATOM 0 HG1 THR A 16 -11.971 13.537 -2.294 1.00 0.00 H new ATOM 0 HG21 THR A 16 -12.468 15.484 -3.597 1.00 0.00 H new ATOM 0 HG22 THR A 16 -11.197 16.065 -4.699 1.00 0.00 H new ATOM 0 HG23 THR A 16 -12.054 14.546 -5.052 1.00 0.00 H new ATOM 221 N GLN A 17 -7.197 14.872 -4.391 1.00 0.00 N ATOM 222 CA GLN A 17 -6.184 15.904 -4.555 1.00 0.00 C ATOM 223 C GLN A 17 -5.570 15.841 -5.944 1.00 0.00 C ATOM 224 O GLN A 17 -5.330 14.757 -6.480 1.00 0.00 O ATOM 225 CB GLN A 17 -5.085 15.782 -3.494 1.00 0.00 C ATOM 226 CG GLN A 17 -5.437 16.428 -2.160 1.00 0.00 C ATOM 227 CD GLN A 17 -6.451 15.640 -1.353 1.00 0.00 C ATOM 228 OE1 GLN A 17 -7.660 15.821 -1.502 1.00 0.00 O ATOM 229 NE2 GLN A 17 -5.964 14.780 -0.476 1.00 0.00 N ATOM 0 H GLN A 17 -6.832 13.960 -4.117 1.00 0.00 H new ATOM 0 HA GLN A 17 -6.677 16.868 -4.429 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -4.869 14.726 -3.329 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -4.172 16.238 -3.877 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -4.527 16.544 -1.571 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -5.829 17.429 -2.342 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -4.955 14.661 -0.385 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -6.597 14.235 0.110 1.00 0.00 H new ATOM 238 N SER A 18 -5.290 17.009 -6.505 1.00 0.00 N ATOM 239 CA SER A 18 -4.753 17.118 -7.856 1.00 0.00 C ATOM 240 C SER A 18 -3.335 16.558 -7.930 1.00 0.00 C ATOM 241 O SER A 18 -2.819 16.280 -9.012 1.00 0.00 O ATOM 242 CB SER A 18 -4.770 18.582 -8.296 1.00 0.00 C ATOM 243 OG SER A 18 -6.073 19.129 -8.173 1.00 0.00 O ATOM 0 H SER A 18 -5.428 17.906 -6.039 1.00 0.00 H new ATOM 0 HA SER A 18 -5.379 16.531 -8.528 1.00 0.00 H new ATOM 0 HB2 SER A 18 -4.070 19.157 -7.689 1.00 0.00 H new ATOM 0 HB3 SER A 18 -4.434 18.660 -9.330 1.00 0.00 H new ATOM 0 HG SER A 18 -6.062 20.067 -8.458 1.00 0.00 H new ATOM 249 N GLU A 19 -2.712 16.385 -6.771 1.00 0.00 N ATOM 250 CA GLU A 19 -1.367 15.835 -6.695 1.00 0.00 C ATOM 251 C GLU A 19 -1.355 14.396 -7.199 1.00 0.00 C ATOM 252 O GLU A 19 -0.420 13.968 -7.873 1.00 0.00 O ATOM 253 CB GLU A 19 -0.862 15.872 -5.250 1.00 0.00 C ATOM 254 CG GLU A 19 -1.023 17.223 -4.573 1.00 0.00 C ATOM 255 CD GLU A 19 -0.280 18.334 -5.285 1.00 0.00 C ATOM 256 OE1 GLU A 19 0.903 18.571 -4.959 1.00 0.00 O ATOM 257 OE2 GLU A 19 -0.880 18.985 -6.164 1.00 0.00 O ATOM 0 H GLU A 19 -3.121 16.620 -5.866 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.712 16.440 -7.322 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -1.397 15.120 -4.670 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.192 15.594 -5.237 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.082 17.475 -4.524 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -0.664 17.154 -3.546 1.00 0.00 H new ATOM 264 N ALA A 20 -2.431 13.675 -6.908 1.00 0.00 N ATOM 265 CA ALA A 20 -2.495 12.239 -7.148 1.00 0.00 C ATOM 266 C ALA A 20 -2.357 11.881 -8.622 1.00 0.00 C ATOM 267 O ALA A 20 -1.918 10.781 -8.958 1.00 0.00 O ATOM 268 CB ALA A 20 -3.789 11.679 -6.583 1.00 0.00 C ATOM 0 H ALA A 20 -3.280 14.067 -6.501 1.00 0.00 H new ATOM 0 HA ALA A 20 -1.645 11.787 -6.637 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.831 10.605 -6.765 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -3.829 11.867 -5.510 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -4.637 12.163 -7.068 1.00 0.00 H new ATOM 274 N ALA A 21 -2.707 12.811 -9.498 1.00 0.00 N ATOM 275 CA ALA A 21 -2.629 12.569 -10.933 1.00 0.00 C ATOM 276 C ALA A 21 -1.184 12.345 -11.375 1.00 0.00 C ATOM 277 O ALA A 21 -0.924 11.695 -12.385 1.00 0.00 O ATOM 278 CB ALA A 21 -3.247 13.730 -11.695 1.00 0.00 C ATOM 0 H ALA A 21 -3.047 13.738 -9.243 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.191 11.663 -11.158 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -3.183 13.538 -12.766 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.293 13.838 -11.408 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.709 14.648 -11.458 1.00 0.00 H new ATOM 284 N ALA A 22 -0.243 12.864 -10.597 1.00 0.00 N ATOM 285 CA ALA A 22 1.165 12.758 -10.940 1.00 0.00 C ATOM 286 C ALA A 22 1.896 11.775 -10.027 1.00 0.00 C ATOM 287 O ALA A 22 3.100 11.573 -10.165 1.00 0.00 O ATOM 288 CB ALA A 22 1.822 14.130 -10.876 1.00 0.00 C ATOM 0 H ALA A 22 -0.431 13.361 -9.726 1.00 0.00 H new ATOM 0 HA ALA A 22 1.234 12.374 -11.958 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.877 14.041 -11.135 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.331 14.802 -11.581 1.00 0.00 H new ATOM 0 HB3 ALA A 22 1.729 14.531 -9.867 1.00 0.00 H new ATOM 294 N TYR A 23 1.175 11.159 -9.097 1.00 0.00 N ATOM 295 CA TYR A 23 1.809 10.250 -8.146 1.00 0.00 C ATOM 296 C TYR A 23 1.131 8.886 -8.132 1.00 0.00 C ATOM 297 O TYR A 23 1.383 8.073 -7.242 1.00 0.00 O ATOM 298 CB TYR A 23 1.808 10.844 -6.733 1.00 0.00 C ATOM 299 CG TYR A 23 2.490 12.190 -6.637 1.00 0.00 C ATOM 300 CD1 TYR A 23 3.804 12.364 -7.059 1.00 0.00 C ATOM 301 CD2 TYR A 23 1.815 13.291 -6.136 1.00 0.00 C ATOM 302 CE1 TYR A 23 4.422 13.598 -6.979 1.00 0.00 C ATOM 303 CE2 TYR A 23 2.423 14.527 -6.057 1.00 0.00 C ATOM 304 CZ TYR A 23 3.726 14.677 -6.478 1.00 0.00 C ATOM 305 OH TYR A 23 4.333 15.910 -6.400 1.00 0.00 O ATOM 0 H TYR A 23 0.168 11.268 -8.981 1.00 0.00 H new ATOM 0 HA TYR A 23 2.840 10.116 -8.474 1.00 0.00 H new ATOM 0 HB2 TYR A 23 0.778 10.944 -6.392 1.00 0.00 H new ATOM 0 HB3 TYR A 23 2.302 10.147 -6.056 1.00 0.00 H new ATOM 0 HD1 TYR A 23 4.350 11.521 -7.456 1.00 0.00 H new ATOM 0 HD2 TYR A 23 0.794 13.180 -5.801 1.00 0.00 H new ATOM 0 HE1 TYR A 23 5.444 13.716 -7.307 1.00 0.00 H new ATOM 0 HE2 TYR A 23 1.879 15.374 -5.666 1.00 0.00 H new ATOM 0 HH TYR A 23 3.704 16.561 -6.025 1.00 0.00 H new ATOM 315 N GLN A 24 0.277 8.633 -9.116 1.00 0.00 N ATOM 316 CA GLN A 24 -0.343 7.320 -9.252 1.00 0.00 C ATOM 317 C GLN A 24 0.705 6.304 -9.693 1.00 0.00 C ATOM 318 O GLN A 24 1.568 6.628 -10.516 1.00 0.00 O ATOM 319 CB GLN A 24 -1.504 7.357 -10.256 1.00 0.00 C ATOM 320 CG GLN A 24 -1.105 7.804 -11.654 1.00 0.00 C ATOM 321 CD GLN A 24 -2.202 7.564 -12.672 1.00 0.00 C ATOM 322 OE1 GLN A 24 -3.050 8.423 -12.913 1.00 0.00 O ATOM 323 NE2 GLN A 24 -2.191 6.388 -13.282 1.00 0.00 N ATOM 0 H GLN A 24 -0.000 9.312 -9.825 1.00 0.00 H new ATOM 0 HA GLN A 24 -0.749 7.026 -8.284 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -1.948 6.364 -10.317 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -2.275 8.028 -9.878 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -0.855 8.865 -11.636 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -0.205 7.270 -11.960 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -1.471 5.702 -13.055 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -2.902 6.168 -13.979 1.00 0.00 H new ATOM 332 N LYS A 25 0.613 5.074 -9.182 1.00 0.00 N ATOM 333 CA LYS A 25 1.661 4.069 -9.403 1.00 0.00 C ATOM 334 C LYS A 25 1.112 2.679 -9.143 1.00 0.00 C ATOM 335 O LYS A 25 -0.020 2.525 -8.689 1.00 0.00 O ATOM 336 CB LYS A 25 2.844 4.285 -8.437 1.00 0.00 C ATOM 337 CG LYS A 25 3.501 5.652 -8.505 1.00 0.00 C ATOM 338 CD LYS A 25 4.441 5.871 -7.333 1.00 0.00 C ATOM 339 CE LYS A 25 4.861 7.326 -7.230 1.00 0.00 C ATOM 340 NZ LYS A 25 5.687 7.584 -6.021 1.00 0.00 N ATOM 0 H LYS A 25 -0.171 4.749 -8.615 1.00 0.00 H new ATOM 0 HA LYS A 25 1.997 4.169 -10.435 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.494 4.120 -7.418 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.600 3.527 -8.641 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.054 5.746 -9.440 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.734 6.427 -8.509 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.951 5.565 -6.409 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.324 5.242 -7.449 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.425 7.604 -8.120 1.00 0.00 H new ATOM 0 HE3 LYS A 25 3.974 7.958 -7.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.994 8.578 -6.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.124 7.392 -5.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.522 6.963 -6.032 1.00 0.00 H new ATOM 354 N ARG A 26 1.917 1.665 -9.443 1.00 0.00 N ATOM 355 CA ARG A 26 1.558 0.296 -9.118 1.00 0.00 C ATOM 356 C ARG A 26 1.821 0.032 -7.642 1.00 0.00 C ATOM 357 O ARG A 26 2.827 -0.577 -7.268 1.00 0.00 O ATOM 358 CB ARG A 26 2.321 -0.709 -9.990 1.00 0.00 C ATOM 359 CG ARG A 26 2.050 -0.540 -11.475 1.00 0.00 C ATOM 360 CD ARG A 26 2.682 -1.651 -12.295 1.00 0.00 C ATOM 361 NE ARG A 26 2.521 -1.419 -13.729 1.00 0.00 N ATOM 362 CZ ARG A 26 1.585 -2.001 -14.481 1.00 0.00 C ATOM 363 NH1 ARG A 26 0.721 -2.856 -13.937 1.00 0.00 N ATOM 364 NH2 ARG A 26 1.514 -1.730 -15.779 1.00 0.00 N ATOM 0 H ARG A 26 2.818 1.768 -9.909 1.00 0.00 H new ATOM 0 HA ARG A 26 0.496 0.164 -9.323 1.00 0.00 H new ATOM 0 HB2 ARG A 26 3.390 -0.600 -9.808 1.00 0.00 H new ATOM 0 HB3 ARG A 26 2.048 -1.721 -9.690 1.00 0.00 H new ATOM 0 HG2 ARG A 26 0.974 -0.527 -11.649 1.00 0.00 H new ATOM 0 HG3 ARG A 26 2.438 0.423 -11.808 1.00 0.00 H new ATOM 0 HD2 ARG A 26 3.743 -1.724 -12.054 1.00 0.00 H new ATOM 0 HD3 ARG A 26 2.228 -2.605 -12.027 1.00 0.00 H new ATOM 0 HE ARG A 26 3.165 -0.771 -14.184 1.00 0.00 H new ATOM 0 HH11 ARG A 26 0.773 -3.069 -12.941 1.00 0.00 H new ATOM 0 HH12 ARG A 26 0.007 -3.298 -14.517 1.00 0.00 H new ATOM 0 HH21 ARG A 26 2.175 -1.077 -16.201 1.00 0.00 H new ATOM 0 HH22 ARG A 26 0.799 -2.175 -16.354 1.00 0.00 H new ATOM 378 N TRP A 27 0.934 0.558 -6.814 1.00 0.00 N ATOM 379 CA TRP A 27 1.000 0.371 -5.376 1.00 0.00 C ATOM 380 C TRP A 27 0.160 -0.831 -4.991 1.00 0.00 C ATOM 381 O TRP A 27 -0.789 -1.161 -5.702 1.00 0.00 O ATOM 382 CB TRP A 27 0.472 1.616 -4.670 1.00 0.00 C ATOM 383 CG TRP A 27 1.423 2.165 -3.660 1.00 0.00 C ATOM 384 CD1 TRP A 27 1.884 1.529 -2.547 1.00 0.00 C ATOM 385 CD2 TRP A 27 2.024 3.462 -3.669 1.00 0.00 C ATOM 386 NE1 TRP A 27 2.744 2.353 -1.861 1.00 0.00 N ATOM 387 CE2 TRP A 27 2.844 3.548 -2.529 1.00 0.00 C ATOM 388 CE3 TRP A 27 1.949 4.560 -4.530 1.00 0.00 C ATOM 389 CZ2 TRP A 27 3.584 4.691 -2.230 1.00 0.00 C ATOM 390 CZ3 TRP A 27 2.680 5.692 -4.233 1.00 0.00 C ATOM 391 CH2 TRP A 27 3.491 5.751 -3.092 1.00 0.00 C ATOM 0 H TRP A 27 0.146 1.128 -7.122 1.00 0.00 H new ATOM 0 HA TRP A 27 2.035 0.205 -5.076 1.00 0.00 H new ATOM 0 HB2 TRP A 27 0.257 2.384 -5.413 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -0.471 1.375 -4.179 1.00 0.00 H new ATOM 0 HD1 TRP A 27 1.614 0.527 -2.248 1.00 0.00 H new ATOM 0 HE1 TRP A 27 3.229 2.115 -0.996 1.00 0.00 H new ATOM 0 HE3 TRP A 27 1.329 4.523 -5.414 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 4.208 4.739 -1.350 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 2.626 6.547 -4.891 1.00 0.00 H new ATOM 0 HH2 TRP A 27 4.054 6.650 -2.888 1.00 0.00 H new ATOM 402 N LEU A 28 0.500 -1.491 -3.888 1.00 0.00 N ATOM 403 CA LEU A 28 -0.243 -2.669 -3.462 1.00 0.00 C ATOM 404 C LEU A 28 0.245 -3.203 -2.124 1.00 0.00 C ATOM 405 O LEU A 28 1.197 -2.690 -1.536 1.00 0.00 O ATOM 406 CB LEU A 28 -0.126 -3.766 -4.525 1.00 0.00 C ATOM 407 CG LEU A 28 1.306 -4.154 -4.897 1.00 0.00 C ATOM 408 CD1 LEU A 28 1.719 -5.449 -4.213 1.00 0.00 C ATOM 409 CD2 LEU A 28 1.440 -4.271 -6.401 1.00 0.00 C ATOM 0 H LEU A 28 1.277 -1.233 -3.280 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.285 -2.372 -3.340 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.646 -4.655 -4.168 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.643 -3.435 -5.426 1.00 0.00 H new ATOM 0 HG LEU A 28 1.977 -3.369 -4.547 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.741 -5.700 -4.496 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.662 -5.324 -3.132 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.050 -6.252 -4.521 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.463 -4.548 -6.655 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.756 -5.035 -6.769 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.198 -3.314 -6.863 1.00 0.00 H new ATOM 421 N VAL A 29 -0.426 -4.242 -1.655 1.00 0.00 N ATOM 422 CA VAL A 29 -0.016 -4.967 -0.466 1.00 0.00 C ATOM 423 C VAL A 29 0.198 -6.426 -0.845 1.00 0.00 C ATOM 424 O VAL A 29 -0.565 -6.974 -1.627 1.00 0.00 O ATOM 425 CB VAL A 29 -1.079 -4.868 0.654 1.00 0.00 C ATOM 426 CG1 VAL A 29 -0.641 -5.634 1.891 1.00 0.00 C ATOM 427 CG2 VAL A 29 -1.352 -3.416 1.005 1.00 0.00 C ATOM 0 H VAL A 29 -1.273 -4.607 -2.090 1.00 0.00 H new ATOM 0 HA VAL A 29 0.905 -4.528 -0.083 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.000 -5.317 0.282 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -1.406 -5.548 2.662 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.499 -6.684 1.637 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.297 -5.220 2.262 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.102 -3.367 1.794 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.431 -2.946 1.350 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.719 -2.891 0.123 1.00 0.00 H new ATOM 437 N ALA A 30 1.250 -7.044 -0.339 1.00 0.00 N ATOM 438 CA ALA A 30 1.494 -8.454 -0.612 1.00 0.00 C ATOM 439 C ALA A 30 1.581 -9.232 0.690 1.00 0.00 C ATOM 440 O ALA A 30 2.136 -8.742 1.672 1.00 0.00 O ATOM 441 CB ALA A 30 2.761 -8.630 -1.432 1.00 0.00 C ATOM 0 H ALA A 30 1.946 -6.598 0.259 1.00 0.00 H new ATOM 0 HA ALA A 30 0.660 -8.846 -1.194 1.00 0.00 H new ATOM 0 HB1 ALA A 30 2.925 -9.690 -1.625 1.00 0.00 H new ATOM 0 HB2 ALA A 30 2.658 -8.100 -2.379 1.00 0.00 H new ATOM 0 HB3 ALA A 30 3.610 -8.226 -0.881 1.00 0.00 H new ATOM 447 N ASN A 31 1.038 -10.440 0.703 1.00 0.00 N ATOM 448 CA ASN A 31 0.970 -11.217 1.935 1.00 0.00 C ATOM 449 C ASN A 31 2.230 -12.056 2.126 1.00 0.00 C ATOM 450 O ASN A 31 3.093 -12.106 1.248 1.00 0.00 O ATOM 451 CB ASN A 31 -0.276 -12.117 1.959 1.00 0.00 C ATOM 452 CG ASN A 31 -0.191 -13.302 1.010 1.00 0.00 C ATOM 453 OD1 ASN A 31 0.423 -13.232 -0.053 1.00 0.00 O ATOM 454 ND2 ASN A 31 -0.810 -14.405 1.398 1.00 0.00 N ATOM 0 H ASN A 31 0.641 -10.901 -0.116 1.00 0.00 H new ATOM 0 HA ASN A 31 0.897 -10.510 2.761 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -0.428 -12.485 2.974 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -1.151 -11.519 1.702 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -0.788 -15.237 0.808 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -1.309 -14.424 2.287 1.00 0.00 H new ATOM 461 N ASP A 32 2.328 -12.685 3.295 1.00 0.00 N ATOM 462 CA ASP A 32 3.447 -13.564 3.655 1.00 0.00 C ATOM 463 C ASP A 32 3.779 -14.577 2.554 1.00 0.00 C ATOM 464 O ASP A 32 4.933 -14.968 2.393 1.00 0.00 O ATOM 465 CB ASP A 32 3.129 -14.305 4.958 1.00 0.00 C ATOM 466 CG ASP A 32 2.011 -15.318 4.798 1.00 0.00 C ATOM 467 OD1 ASP A 32 0.872 -14.911 4.493 1.00 0.00 O ATOM 468 OD2 ASP A 32 2.271 -16.527 4.977 1.00 0.00 O ATOM 0 H ASP A 32 1.626 -12.600 4.030 1.00 0.00 H new ATOM 0 HA ASP A 32 4.323 -12.929 3.787 1.00 0.00 H new ATOM 0 HB2 ASP A 32 4.027 -14.813 5.310 1.00 0.00 H new ATOM 0 HB3 ASP A 32 2.851 -13.581 5.724 1.00 0.00 H new ATOM 473 N ALA A 33 2.762 -15.001 1.806 1.00 0.00 N ATOM 474 CA ALA A 33 2.940 -15.986 0.741 1.00 0.00 C ATOM 475 C ALA A 33 3.736 -15.415 -0.430 1.00 0.00 C ATOM 476 O ALA A 33 4.215 -16.158 -1.286 1.00 0.00 O ATOM 477 CB ALA A 33 1.587 -16.491 0.252 1.00 0.00 C ATOM 0 H ALA A 33 1.802 -14.676 1.919 1.00 0.00 H new ATOM 0 HA ALA A 33 3.507 -16.819 1.158 1.00 0.00 H new ATOM 0 HB1 ALA A 33 1.737 -17.224 -0.541 1.00 0.00 H new ATOM 0 HB2 ALA A 33 1.052 -16.956 1.080 1.00 0.00 H new ATOM 0 HB3 ALA A 33 1.004 -15.654 -0.133 1.00 0.00 H new ATOM 483 N GLY A 34 3.874 -14.095 -0.462 1.00 0.00 N ATOM 484 CA GLY A 34 4.567 -13.449 -1.559 1.00 0.00 C ATOM 485 C GLY A 34 3.617 -13.080 -2.676 1.00 0.00 C ATOM 486 O GLY A 34 4.040 -12.605 -3.732 1.00 0.00 O ATOM 0 H GLY A 34 3.518 -13.461 0.253 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.069 -12.552 -1.196 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.341 -14.113 -1.943 1.00 0.00 H new ATOM 490 N GLN A 35 2.330 -13.288 -2.424 1.00 0.00 N ATOM 491 CA GLN A 35 1.292 -13.053 -3.413 1.00 0.00 C ATOM 492 C GLN A 35 0.711 -11.652 -3.257 1.00 0.00 C ATOM 493 O GLN A 35 0.602 -11.133 -2.144 1.00 0.00 O ATOM 494 CB GLN A 35 0.186 -14.108 -3.260 1.00 0.00 C ATOM 495 CG GLN A 35 -0.957 -13.959 -4.250 1.00 0.00 C ATOM 496 CD GLN A 35 -2.060 -14.972 -4.025 1.00 0.00 C ATOM 497 OE1 GLN A 35 -2.039 -16.070 -4.581 1.00 0.00 O ATOM 498 NE2 GLN A 35 -3.030 -14.607 -3.205 1.00 0.00 N ATOM 0 H GLN A 35 1.979 -13.624 -1.527 1.00 0.00 H new ATOM 0 HA GLN A 35 1.728 -13.132 -4.409 1.00 0.00 H new ATOM 0 HB2 GLN A 35 0.626 -15.099 -3.376 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -0.215 -14.054 -2.248 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -1.371 -12.954 -4.172 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -0.571 -14.067 -5.264 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -3.007 -13.687 -2.766 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -3.801 -15.246 -3.011 1.00 0.00 H new ATOM 507 N TRP A 36 0.354 -11.044 -4.378 1.00 0.00 N ATOM 508 CA TRP A 36 -0.256 -9.724 -4.376 1.00 0.00 C ATOM 509 C TRP A 36 -1.659 -9.776 -3.784 1.00 0.00 C ATOM 510 O TRP A 36 -2.512 -10.551 -4.230 1.00 0.00 O ATOM 511 CB TRP A 36 -0.307 -9.156 -5.794 1.00 0.00 C ATOM 512 CG TRP A 36 1.010 -8.631 -6.282 1.00 0.00 C ATOM 513 CD1 TRP A 36 2.250 -8.899 -5.772 1.00 0.00 C ATOM 514 CD2 TRP A 36 1.214 -7.737 -7.381 1.00 0.00 C ATOM 515 NE1 TRP A 36 3.208 -8.218 -6.483 1.00 0.00 N ATOM 516 CE2 TRP A 36 2.598 -7.498 -7.474 1.00 0.00 C ATOM 517 CE3 TRP A 36 0.357 -7.108 -8.292 1.00 0.00 C ATOM 518 CZ2 TRP A 36 3.145 -6.661 -8.443 1.00 0.00 C ATOM 519 CZ3 TRP A 36 0.903 -6.278 -9.255 1.00 0.00 C ATOM 520 CH2 TRP A 36 2.284 -6.059 -9.322 1.00 0.00 C ATOM 0 H TRP A 36 0.478 -11.447 -5.307 1.00 0.00 H new ATOM 0 HA TRP A 36 0.357 -9.070 -3.756 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -0.653 -9.934 -6.475 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -1.043 -8.353 -5.828 1.00 0.00 H new ATOM 0 HD1 TRP A 36 2.447 -9.550 -4.933 1.00 0.00 H new ATOM 0 HE1 TRP A 36 4.211 -8.245 -6.302 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -0.710 -7.268 -8.244 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 4.210 -6.492 -8.500 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 0.253 -5.791 -9.967 1.00 0.00 H new ATOM 0 HH2 TRP A 36 2.679 -5.402 -10.083 1.00 0.00 H new ATOM 531 N LEU A 37 -1.885 -8.951 -2.780 1.00 0.00 N ATOM 532 CA LEU A 37 -3.174 -8.863 -2.121 1.00 0.00 C ATOM 533 C LEU A 37 -3.961 -7.708 -2.725 1.00 0.00 C ATOM 534 O LEU A 37 -3.445 -6.598 -2.862 1.00 0.00 O ATOM 535 CB LEU A 37 -2.970 -8.648 -0.615 1.00 0.00 C ATOM 536 CG LEU A 37 -4.218 -8.749 0.257 1.00 0.00 C ATOM 537 CD1 LEU A 37 -4.754 -10.172 0.262 1.00 0.00 C ATOM 538 CD2 LEU A 37 -3.894 -8.286 1.671 1.00 0.00 C ATOM 0 H LEU A 37 -1.179 -8.322 -2.398 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.732 -9.789 -2.265 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.244 -9.380 -0.260 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.528 -7.663 -0.467 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.993 -8.103 -0.155 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.644 -10.223 0.889 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.010 -10.468 -0.755 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.993 -10.846 0.656 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.787 -8.359 2.291 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.109 -8.916 2.089 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -3.554 -7.251 1.646 1.00 0.00 H new ATOM 550 N ASN A 38 -5.208 -7.964 -3.074 1.00 0.00 N ATOM 551 CA ASN A 38 -6.018 -6.972 -3.766 1.00 0.00 C ATOM 552 C ASN A 38 -7.251 -6.616 -2.961 1.00 0.00 C ATOM 553 O ASN A 38 -7.703 -7.393 -2.123 1.00 0.00 O ATOM 554 CB ASN A 38 -6.455 -7.487 -5.143 1.00 0.00 C ATOM 555 CG ASN A 38 -5.672 -6.861 -6.281 1.00 0.00 C ATOM 556 OD1 ASN A 38 -4.497 -6.540 -6.140 1.00 0.00 O ATOM 557 ND2 ASN A 38 -6.331 -6.667 -7.414 1.00 0.00 N ATOM 0 H ASN A 38 -5.684 -8.848 -2.891 1.00 0.00 H new ATOM 0 HA ASN A 38 -5.401 -6.082 -3.890 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -6.333 -8.570 -5.176 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -7.516 -7.282 -5.282 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -5.861 -6.236 -8.210 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -7.308 -6.949 -7.490 1.00 0.00 H new ATOM 564 N ARG A 39 -7.803 -5.443 -3.245 1.00 0.00 N ATOM 565 CA ARG A 39 -9.032 -4.983 -2.604 1.00 0.00 C ATOM 566 C ARG A 39 -10.203 -5.889 -2.982 1.00 0.00 C ATOM 567 O ARG A 39 -11.254 -5.867 -2.346 1.00 0.00 O ATOM 568 CB ARG A 39 -9.316 -3.528 -3.001 1.00 0.00 C ATOM 569 CG ARG A 39 -9.324 -3.295 -4.506 1.00 0.00 C ATOM 570 CD ARG A 39 -9.275 -1.813 -4.848 1.00 0.00 C ATOM 571 NE ARG A 39 -10.482 -1.103 -4.429 1.00 0.00 N ATOM 572 CZ ARG A 39 -10.477 0.068 -3.791 1.00 0.00 C ATOM 573 NH1 ARG A 39 -9.331 0.639 -3.441 1.00 0.00 N ATOM 574 NH2 ARG A 39 -11.619 0.670 -3.496 1.00 0.00 N ATOM 0 H ARG A 39 -7.415 -4.786 -3.922 1.00 0.00 H new ATOM 0 HA ARG A 39 -8.906 -5.029 -1.522 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -10.281 -3.230 -2.591 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -8.564 -2.883 -2.546 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -8.470 -3.801 -4.957 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -10.221 -3.738 -4.938 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -8.406 -1.361 -4.369 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -9.143 -1.696 -5.924 1.00 0.00 H new ATOM 0 HE ARG A 39 -11.385 -1.530 -4.638 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -8.446 0.182 -3.660 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -9.336 1.535 -2.953 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -12.505 0.238 -3.757 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -11.612 1.566 -3.008 1.00 0.00 H new ATOM 588 N ASP A 40 -10.002 -6.690 -4.023 1.00 0.00 N ATOM 589 CA ASP A 40 -10.985 -7.677 -4.446 1.00 0.00 C ATOM 590 C ASP A 40 -10.968 -8.854 -3.483 1.00 0.00 C ATOM 591 O ASP A 40 -12.008 -9.426 -3.146 1.00 0.00 O ATOM 592 CB ASP A 40 -10.669 -8.164 -5.861 1.00 0.00 C ATOM 593 CG ASP A 40 -10.500 -7.023 -6.842 1.00 0.00 C ATOM 594 OD1 ASP A 40 -9.362 -6.519 -6.975 1.00 0.00 O ATOM 595 OD2 ASP A 40 -11.502 -6.614 -7.462 1.00 0.00 O ATOM 0 H ASP A 40 -9.157 -6.673 -4.594 1.00 0.00 H new ATOM 0 HA ASP A 40 -11.974 -7.218 -4.444 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -9.757 -8.760 -5.841 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -11.470 -8.818 -6.204 1.00 0.00 H new ATOM 600 N LEU A 41 -9.769 -9.198 -3.032 1.00 0.00 N ATOM 601 CA LEU A 41 -9.582 -10.284 -2.083 1.00 0.00 C ATOM 602 C LEU A 41 -9.958 -9.818 -0.681 1.00 0.00 C ATOM 603 O LEU A 41 -10.734 -10.469 0.018 1.00 0.00 O ATOM 604 CB LEU A 41 -8.123 -10.754 -2.095 1.00 0.00 C ATOM 605 CG LEU A 41 -7.579 -11.183 -3.460 1.00 0.00 C ATOM 606 CD1 LEU A 41 -6.096 -11.506 -3.359 1.00 0.00 C ATOM 607 CD2 LEU A 41 -8.352 -12.381 -3.989 1.00 0.00 C ATOM 0 H LEU A 41 -8.905 -8.735 -3.312 1.00 0.00 H new ATOM 0 HA LEU A 41 -10.225 -11.115 -2.372 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -7.497 -9.948 -1.711 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -8.024 -11.592 -1.404 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.707 -10.357 -4.160 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.722 -11.810 -4.337 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.553 -10.623 -3.021 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.948 -12.317 -2.646 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -7.952 -12.672 -4.960 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -8.255 -13.213 -3.292 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -9.404 -12.117 -4.095 1.00 0.00 H new ATOM 619 N CYS A 42 -9.402 -8.681 -0.292 1.00 0.00 N ATOM 620 CA CYS A 42 -9.656 -8.099 1.016 1.00 0.00 C ATOM 621 C CYS A 42 -10.351 -6.743 0.870 1.00 0.00 C ATOM 622 O CYS A 42 -9.699 -5.708 0.705 1.00 0.00 O ATOM 623 CB CYS A 42 -8.333 -7.954 1.773 1.00 0.00 C ATOM 624 SG CYS A 42 -7.061 -7.070 0.845 1.00 0.00 S ATOM 0 H CYS A 42 -8.764 -8.137 -0.873 1.00 0.00 H new ATOM 0 HA CYS A 42 -10.317 -8.755 1.582 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -8.517 -7.430 2.711 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -7.960 -8.946 2.029 1.00 0.00 H new ATOM 0 HG CYS A 42 -7.221 -7.288 -0.427 1.00 0.00 H new ATOM 630 N PRO A 43 -11.694 -6.738 0.908 1.00 0.00 N ATOM 631 CA PRO A 43 -12.498 -5.526 0.694 1.00 0.00 C ATOM 632 C PRO A 43 -12.269 -4.456 1.759 1.00 0.00 C ATOM 633 O PRO A 43 -12.463 -3.269 1.503 1.00 0.00 O ATOM 634 CB PRO A 43 -13.946 -6.032 0.762 1.00 0.00 C ATOM 635 CG PRO A 43 -13.856 -7.505 0.561 1.00 0.00 C ATOM 636 CD PRO A 43 -12.541 -7.915 1.148 1.00 0.00 C ATOM 0 HA PRO A 43 -12.237 -5.045 -0.248 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -14.402 -5.793 1.723 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -14.562 -5.567 -0.007 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -14.682 -8.018 1.054 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -13.909 -7.760 -0.498 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -12.626 -8.142 2.211 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -12.142 -8.806 0.663 1.00 0.00 H new ATOM 644 N ARG A 44 -11.840 -4.872 2.946 1.00 0.00 N ATOM 645 CA ARG A 44 -11.682 -3.945 4.064 1.00 0.00 C ATOM 646 C ARG A 44 -10.492 -3.007 3.858 1.00 0.00 C ATOM 647 O ARG A 44 -10.386 -1.968 4.510 1.00 0.00 O ATOM 648 CB ARG A 44 -11.522 -4.707 5.378 1.00 0.00 C ATOM 649 CG ARG A 44 -12.729 -5.562 5.736 1.00 0.00 C ATOM 650 CD ARG A 44 -12.609 -6.137 7.139 1.00 0.00 C ATOM 651 NE ARG A 44 -12.621 -5.087 8.157 1.00 0.00 N ATOM 652 CZ ARG A 44 -12.493 -5.311 9.463 1.00 0.00 C ATOM 653 NH1 ARG A 44 -12.310 -6.544 9.916 1.00 0.00 N ATOM 654 NH2 ARG A 44 -12.556 -4.299 10.322 1.00 0.00 N ATOM 0 H ARG A 44 -11.596 -5.839 3.159 1.00 0.00 H new ATOM 0 HA ARG A 44 -12.586 -3.338 4.110 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -10.641 -5.346 5.313 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -11.341 -3.994 6.182 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -13.636 -4.961 5.664 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -12.827 -6.374 5.016 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -13.431 -6.829 7.320 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -11.686 -6.711 7.219 1.00 0.00 H new ATOM 0 HE ARG A 44 -12.735 -4.122 7.847 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -12.267 -7.326 9.263 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -12.212 -6.710 10.918 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -12.703 -3.349 9.981 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -12.458 -4.472 11.322 1.00 0.00 H new ATOM 668 N LEU A 45 -9.593 -3.365 2.956 1.00 0.00 N ATOM 669 CA LEU A 45 -8.454 -2.507 2.653 1.00 0.00 C ATOM 670 C LEU A 45 -8.898 -1.289 1.864 1.00 0.00 C ATOM 671 O LEU A 45 -8.232 -0.262 1.862 1.00 0.00 O ATOM 672 CB LEU A 45 -7.377 -3.270 1.887 1.00 0.00 C ATOM 673 CG LEU A 45 -6.285 -3.873 2.760 1.00 0.00 C ATOM 674 CD1 LEU A 45 -6.836 -4.991 3.630 1.00 0.00 C ATOM 675 CD2 LEU A 45 -5.133 -4.368 1.901 1.00 0.00 C ATOM 0 H LEU A 45 -9.626 -4.235 2.424 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.026 -2.175 3.599 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -7.852 -4.069 1.318 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.916 -2.595 1.165 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.908 -3.094 3.423 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.035 -5.404 4.243 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.621 -4.597 4.276 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.248 -5.776 2.996 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.361 -4.796 2.540 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.495 -5.129 1.210 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.716 -3.534 1.336 1.00 0.00 H new ATOM 687 N ALA A 46 -10.044 -1.410 1.221 1.00 0.00 N ATOM 688 CA ALA A 46 -10.621 -0.310 0.455 1.00 0.00 C ATOM 689 C ALA A 46 -11.159 0.788 1.370 1.00 0.00 C ATOM 690 O ALA A 46 -11.596 1.840 0.906 1.00 0.00 O ATOM 691 CB ALA A 46 -11.725 -0.827 -0.450 1.00 0.00 C ATOM 0 H ALA A 46 -10.601 -2.264 1.211 1.00 0.00 H new ATOM 0 HA ALA A 46 -9.830 0.124 -0.156 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -12.149 0.002 -1.017 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -11.315 -1.566 -1.139 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -12.505 -1.289 0.155 1.00 0.00 H new ATOM 697 N GLU A 47 -11.122 0.536 2.673 1.00 0.00 N ATOM 698 CA GLU A 47 -11.625 1.489 3.658 1.00 0.00 C ATOM 699 C GLU A 47 -10.565 2.532 4.015 1.00 0.00 C ATOM 700 O GLU A 47 -10.779 3.372 4.887 1.00 0.00 O ATOM 701 CB GLU A 47 -12.060 0.748 4.923 1.00 0.00 C ATOM 702 CG GLU A 47 -13.166 -0.269 4.692 1.00 0.00 C ATOM 703 CD GLU A 47 -14.531 0.367 4.525 1.00 0.00 C ATOM 704 OE1 GLU A 47 -14.794 0.958 3.459 1.00 0.00 O ATOM 705 OE2 GLU A 47 -15.351 0.268 5.467 1.00 0.00 O ATOM 0 H GLU A 47 -10.747 -0.324 3.074 1.00 0.00 H new ATOM 0 HA GLU A 47 -12.479 2.005 3.220 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.196 0.239 5.350 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -12.398 1.476 5.661 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -12.933 -0.855 3.803 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -13.195 -0.963 5.532 1.00 0.00 H new ATOM 712 N VAL A 48 -9.420 2.474 3.347 1.00 0.00 N ATOM 713 CA VAL A 48 -8.326 3.388 3.642 1.00 0.00 C ATOM 714 C VAL A 48 -8.559 4.744 2.992 1.00 0.00 C ATOM 715 O VAL A 48 -8.663 4.849 1.771 1.00 0.00 O ATOM 716 CB VAL A 48 -6.967 2.826 3.164 1.00 0.00 C ATOM 717 CG1 VAL A 48 -5.847 3.816 3.443 1.00 0.00 C ATOM 718 CG2 VAL A 48 -6.672 1.490 3.831 1.00 0.00 C ATOM 0 H VAL A 48 -9.226 1.806 2.601 1.00 0.00 H new ATOM 0 HA VAL A 48 -8.296 3.504 4.725 1.00 0.00 H new ATOM 0 HB VAL A 48 -7.027 2.668 2.087 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.900 3.400 3.099 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -6.047 4.749 2.916 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.791 4.009 4.514 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -5.711 1.113 3.480 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.637 1.623 4.912 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -7.456 0.776 3.579 1.00 0.00 H new ATOM 728 N SER A 49 -8.656 5.777 3.811 1.00 0.00 N ATOM 729 CA SER A 49 -8.733 7.130 3.300 1.00 0.00 C ATOM 730 C SER A 49 -7.336 7.670 3.103 1.00 0.00 C ATOM 731 O SER A 49 -6.545 7.761 4.045 1.00 0.00 O ATOM 732 CB SER A 49 -9.547 8.020 4.243 1.00 0.00 C ATOM 733 OG SER A 49 -9.095 7.904 5.584 1.00 0.00 O ATOM 0 H SER A 49 -8.683 5.703 4.828 1.00 0.00 H new ATOM 0 HA SER A 49 -9.245 7.125 2.338 1.00 0.00 H new ATOM 0 HB2 SER A 49 -9.472 9.059 3.921 1.00 0.00 H new ATOM 0 HB3 SER A 49 -10.600 7.744 4.187 1.00 0.00 H new ATOM 0 HG SER A 49 -9.633 8.485 6.162 1.00 0.00 H new ATOM 739 N VAL A 50 -7.035 8.003 1.869 1.00 0.00 N ATOM 740 CA VAL A 50 -5.690 8.357 1.499 1.00 0.00 C ATOM 741 C VAL A 50 -5.613 9.796 0.999 1.00 0.00 C ATOM 742 O VAL A 50 -6.384 10.213 0.131 1.00 0.00 O ATOM 743 CB VAL A 50 -5.158 7.379 0.431 1.00 0.00 C ATOM 744 CG1 VAL A 50 -5.983 7.437 -0.848 1.00 0.00 C ATOM 745 CG2 VAL A 50 -3.705 7.650 0.141 1.00 0.00 C ATOM 0 H VAL A 50 -7.709 8.035 1.104 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.062 8.283 2.387 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.251 6.370 0.834 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -5.577 6.734 -1.575 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -7.017 7.173 -0.626 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.947 8.446 -1.259 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.348 6.950 -0.615 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.591 8.670 -0.227 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -3.123 7.526 1.054 1.00 0.00 H new ATOM 755 N GLU A 51 -4.696 10.561 1.572 1.00 0.00 N ATOM 756 CA GLU A 51 -4.487 11.936 1.154 1.00 0.00 C ATOM 757 C GLU A 51 -3.050 12.113 0.684 1.00 0.00 C ATOM 758 O GLU A 51 -2.109 11.724 1.377 1.00 0.00 O ATOM 759 CB GLU A 51 -4.765 12.914 2.303 1.00 0.00 C ATOM 760 CG GLU A 51 -6.033 12.630 3.092 1.00 0.00 C ATOM 761 CD GLU A 51 -7.291 12.610 2.242 1.00 0.00 C ATOM 762 OE1 GLU A 51 -7.415 13.448 1.325 1.00 0.00 O ATOM 763 OE2 GLU A 51 -8.178 11.777 2.521 1.00 0.00 O ATOM 0 H GLU A 51 -4.085 10.251 2.328 1.00 0.00 H new ATOM 0 HA GLU A 51 -5.179 12.152 0.340 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -3.917 12.898 2.988 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -4.826 13.923 1.895 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -5.930 11.668 3.594 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -6.143 13.386 3.870 1.00 0.00 H new ATOM 770 N LEU A 52 -2.878 12.692 -0.491 1.00 0.00 N ATOM 771 CA LEU A 52 -1.546 12.957 -1.009 1.00 0.00 C ATOM 772 C LEU A 52 -1.143 14.391 -0.738 1.00 0.00 C ATOM 773 O LEU A 52 -1.860 15.335 -1.072 1.00 0.00 O ATOM 774 CB LEU A 52 -1.450 12.646 -2.505 1.00 0.00 C ATOM 775 CG LEU A 52 -1.260 11.168 -2.857 1.00 0.00 C ATOM 776 CD1 LEU A 52 -2.507 10.360 -2.539 1.00 0.00 C ATOM 777 CD2 LEU A 52 -0.898 11.024 -4.320 1.00 0.00 C ATOM 0 H LEU A 52 -3.639 12.987 -1.103 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.854 12.295 -0.488 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -2.357 13.005 -2.992 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.618 13.212 -2.924 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.445 10.777 -2.248 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.340 9.315 -2.800 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.729 10.437 -1.475 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.348 10.748 -3.114 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.765 9.969 -4.560 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.697 11.438 -4.935 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.029 11.561 -4.520 1.00 0.00 H new ATOM 789 N ARG A 53 0.002 14.527 -0.106 1.00 0.00 N ATOM 790 CA ARG A 53 0.566 15.812 0.233 1.00 0.00 C ATOM 791 C ARG A 53 1.795 16.040 -0.634 1.00 0.00 C ATOM 792 O ARG A 53 2.304 15.096 -1.237 1.00 0.00 O ATOM 793 CB ARG A 53 0.947 15.813 1.717 1.00 0.00 C ATOM 794 CG ARG A 53 1.222 17.187 2.295 1.00 0.00 C ATOM 795 CD ARG A 53 1.376 17.127 3.808 1.00 0.00 C ATOM 796 NE ARG A 53 0.332 16.307 4.426 1.00 0.00 N ATOM 797 CZ ARG A 53 -0.734 16.797 5.058 1.00 0.00 C ATOM 798 NH1 ARG A 53 -0.908 18.107 5.169 1.00 0.00 N ATOM 799 NH2 ARG A 53 -1.626 15.967 5.588 1.00 0.00 N ATOM 0 H ARG A 53 0.574 13.736 0.190 1.00 0.00 H new ATOM 0 HA ARG A 53 -0.154 16.611 0.056 1.00 0.00 H new ATOM 0 HB2 ARG A 53 0.142 15.348 2.286 1.00 0.00 H new ATOM 0 HB3 ARG A 53 1.833 15.192 1.852 1.00 0.00 H new ATOM 0 HG2 ARG A 53 2.129 17.596 1.850 1.00 0.00 H new ATOM 0 HG3 ARG A 53 0.407 17.863 2.036 1.00 0.00 H new ATOM 0 HD2 ARG A 53 2.355 16.719 4.058 1.00 0.00 H new ATOM 0 HD3 ARG A 53 1.337 18.136 4.218 1.00 0.00 H new ATOM 0 HE ARG A 53 0.427 15.293 4.369 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -0.223 18.748 4.769 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -1.727 18.473 5.654 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -1.494 14.959 5.510 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -2.443 16.338 6.073 1.00 0.00 H new ATOM 813 N MET A 54 2.272 17.276 -0.702 1.00 0.00 N ATOM 814 CA MET A 54 3.474 17.575 -1.463 1.00 0.00 C ATOM 815 C MET A 54 4.683 16.888 -0.833 1.00 0.00 C ATOM 816 O MET A 54 5.338 17.429 0.057 1.00 0.00 O ATOM 817 CB MET A 54 3.703 19.093 -1.589 1.00 0.00 C ATOM 818 CG MET A 54 3.657 19.860 -0.273 1.00 0.00 C ATOM 819 SD MET A 54 1.986 20.033 0.384 1.00 0.00 S ATOM 820 CE MET A 54 2.305 21.007 1.853 1.00 0.00 C ATOM 0 H MET A 54 1.847 18.081 -0.242 1.00 0.00 H new ATOM 0 HA MET A 54 3.340 17.185 -2.472 1.00 0.00 H new ATOM 0 HB2 MET A 54 4.673 19.262 -2.057 1.00 0.00 H new ATOM 0 HB3 MET A 54 2.949 19.505 -2.260 1.00 0.00 H new ATOM 0 HG2 MET A 54 4.279 19.348 0.461 1.00 0.00 H new ATOM 0 HG3 MET A 54 4.088 20.850 -0.421 1.00 0.00 H new ATOM 0 HE1 MET A 54 1.366 21.199 2.373 1.00 0.00 H new ATOM 0 HE2 MET A 54 2.980 20.461 2.512 1.00 0.00 H new ATOM 0 HE3 MET A 54 2.763 21.954 1.569 1.00 0.00 H new ATOM 830 N GLY A 55 4.928 15.661 -1.263 1.00 0.00 N ATOM 831 CA GLY A 55 6.062 14.913 -0.775 1.00 0.00 C ATOM 832 C GLY A 55 5.667 13.775 0.147 1.00 0.00 C ATOM 833 O GLY A 55 6.478 12.889 0.420 1.00 0.00 O ATOM 0 H GLY A 55 4.355 15.168 -1.948 1.00 0.00 H new ATOM 0 HA2 GLY A 55 6.617 14.511 -1.622 1.00 0.00 H new ATOM 0 HA3 GLY A 55 6.734 15.587 -0.244 1.00 0.00 H new ATOM 837 N TYR A 56 4.420 13.765 0.616 1.00 0.00 N ATOM 838 CA TYR A 56 4.013 12.772 1.600 1.00 0.00 C ATOM 839 C TYR A 56 2.706 12.095 1.230 1.00 0.00 C ATOM 840 O TYR A 56 1.762 12.728 0.767 1.00 0.00 O ATOM 841 CB TYR A 56 3.889 13.397 2.991 1.00 0.00 C ATOM 842 CG TYR A 56 5.218 13.753 3.615 1.00 0.00 C ATOM 843 CD1 TYR A 56 6.108 12.760 4.002 1.00 0.00 C ATOM 844 CD2 TYR A 56 5.581 15.077 3.817 1.00 0.00 C ATOM 845 CE1 TYR A 56 7.325 13.076 4.573 1.00 0.00 C ATOM 846 CE2 TYR A 56 6.796 15.402 4.388 1.00 0.00 C ATOM 847 CZ TYR A 56 7.663 14.398 4.765 1.00 0.00 C ATOM 848 OH TYR A 56 8.874 14.719 5.335 1.00 0.00 O ATOM 0 H TYR A 56 3.690 14.420 0.336 1.00 0.00 H new ATOM 0 HA TYR A 56 4.794 12.012 1.612 1.00 0.00 H new ATOM 0 HB2 TYR A 56 3.277 14.296 2.923 1.00 0.00 H new ATOM 0 HB3 TYR A 56 3.364 12.703 3.647 1.00 0.00 H new ATOM 0 HD1 TYR A 56 5.844 11.723 3.854 1.00 0.00 H new ATOM 0 HD2 TYR A 56 4.903 15.865 3.523 1.00 0.00 H new ATOM 0 HE1 TYR A 56 8.007 12.292 4.867 1.00 0.00 H new ATOM 0 HE2 TYR A 56 7.066 16.437 4.538 1.00 0.00 H new ATOM 0 HH TYR A 56 8.958 15.693 5.398 1.00 0.00 H new ATOM 858 N LEU A 57 2.678 10.795 1.439 1.00 0.00 N ATOM 859 CA LEU A 57 1.478 10.003 1.281 1.00 0.00 C ATOM 860 C LEU A 57 0.880 9.744 2.656 1.00 0.00 C ATOM 861 O LEU A 57 1.437 8.986 3.451 1.00 0.00 O ATOM 862 CB LEU A 57 1.812 8.679 0.585 1.00 0.00 C ATOM 863 CG LEU A 57 0.623 7.752 0.332 1.00 0.00 C ATOM 864 CD1 LEU A 57 -0.366 8.407 -0.610 1.00 0.00 C ATOM 865 CD2 LEU A 57 1.090 6.422 -0.238 1.00 0.00 C ATOM 0 H LEU A 57 3.494 10.255 1.726 1.00 0.00 H new ATOM 0 HA LEU A 57 0.756 10.539 0.665 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.288 8.900 -0.370 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.545 8.145 1.190 1.00 0.00 H new ATOM 0 HG LEU A 57 0.128 7.564 1.285 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.207 7.734 -0.780 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.728 9.336 -0.169 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.124 8.623 -1.559 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.228 5.777 -0.411 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.610 6.593 -1.181 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.767 5.941 0.468 1.00 0.00 H new ATOM 877 N VAL A 58 -0.232 10.397 2.948 1.00 0.00 N ATOM 878 CA VAL A 58 -0.839 10.301 4.262 1.00 0.00 C ATOM 879 C VAL A 58 -1.994 9.313 4.249 1.00 0.00 C ATOM 880 O VAL A 58 -3.080 9.614 3.748 1.00 0.00 O ATOM 881 CB VAL A 58 -1.342 11.674 4.760 1.00 0.00 C ATOM 882 CG1 VAL A 58 -1.898 11.568 6.174 1.00 0.00 C ATOM 883 CG2 VAL A 58 -0.229 12.707 4.698 1.00 0.00 C ATOM 0 H VAL A 58 -0.731 10.998 2.293 1.00 0.00 H new ATOM 0 HA VAL A 58 -0.068 9.948 4.947 1.00 0.00 H new ATOM 0 HB VAL A 58 -2.148 11.998 4.102 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.246 12.547 6.503 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.730 10.864 6.186 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -1.116 11.216 6.847 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -0.604 13.667 5.053 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.601 12.386 5.328 1.00 0.00 H new ATOM 0 HG23 VAL A 58 0.115 12.810 3.669 1.00 0.00 H new ATOM 893 N LEU A 59 -1.744 8.125 4.775 1.00 0.00 N ATOM 894 CA LEU A 59 -2.779 7.109 4.891 1.00 0.00 C ATOM 895 C LEU A 59 -3.477 7.238 6.239 1.00 0.00 C ATOM 896 O LEU A 59 -2.842 7.535 7.247 1.00 0.00 O ATOM 897 CB LEU A 59 -2.198 5.695 4.740 1.00 0.00 C ATOM 898 CG LEU A 59 -1.600 5.348 3.372 1.00 0.00 C ATOM 899 CD1 LEU A 59 -0.241 6.003 3.184 1.00 0.00 C ATOM 900 CD2 LEU A 59 -1.489 3.841 3.213 1.00 0.00 C ATOM 0 H LEU A 59 -0.831 7.839 5.129 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.498 7.266 4.087 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.424 5.561 5.496 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.987 4.976 4.961 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.268 5.736 2.603 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.158 5.739 2.205 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -0.346 7.086 3.253 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.441 5.655 3.960 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.063 3.609 2.237 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.845 3.439 3.995 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -2.479 3.393 3.292 1.00 0.00 H new ATOM 912 N LYS A 60 -4.785 7.056 6.243 1.00 0.00 N ATOM 913 CA LYS A 60 -5.565 7.082 7.476 1.00 0.00 C ATOM 914 C LYS A 60 -6.561 5.935 7.454 1.00 0.00 C ATOM 915 O LYS A 60 -7.274 5.760 6.462 1.00 0.00 O ATOM 916 CB LYS A 60 -6.317 8.407 7.598 1.00 0.00 C ATOM 917 CG LYS A 60 -5.421 9.636 7.562 1.00 0.00 C ATOM 918 CD LYS A 60 -6.234 10.904 7.355 1.00 0.00 C ATOM 919 CE LYS A 60 -6.963 10.884 6.020 1.00 0.00 C ATOM 920 NZ LYS A 60 -7.835 12.072 5.841 1.00 0.00 N ATOM 0 H LYS A 60 -5.337 6.887 5.402 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.894 6.979 8.329 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -7.043 8.476 6.788 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.880 8.408 8.531 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -4.861 9.708 8.494 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -4.691 9.534 6.759 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -6.956 11.011 8.164 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -5.575 11.771 7.399 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -6.234 10.845 5.210 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -7.566 9.979 5.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -8.096 12.163 4.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -8.696 11.960 6.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -7.325 12.926 6.145 1.00 0.00 H new ATOM 934 N ALA A 61 -6.621 5.143 8.517 1.00 0.00 N ATOM 935 CA ALA A 61 -7.510 3.979 8.492 1.00 0.00 C ATOM 936 C ALA A 61 -8.645 4.080 9.504 1.00 0.00 C ATOM 937 O ALA A 61 -8.528 4.755 10.521 1.00 0.00 O ATOM 938 CB ALA A 61 -6.732 2.692 8.714 1.00 0.00 C ATOM 0 H ALA A 61 -6.089 5.273 9.378 1.00 0.00 H new ATOM 0 HA ALA A 61 -7.959 3.962 7.499 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -7.417 1.844 8.691 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -5.986 2.578 7.928 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -6.235 2.730 9.683 1.00 0.00 H new ATOM 944 N PRO A 62 -9.776 3.418 9.224 1.00 0.00 N ATOM 945 CA PRO A 62 -10.854 3.271 10.198 1.00 0.00 C ATOM 946 C PRO A 62 -10.410 2.390 11.362 1.00 0.00 C ATOM 947 O PRO A 62 -10.388 1.159 11.259 1.00 0.00 O ATOM 948 CB PRO A 62 -11.986 2.599 9.409 1.00 0.00 C ATOM 949 CG PRO A 62 -11.615 2.755 7.974 1.00 0.00 C ATOM 950 CD PRO A 62 -10.116 2.797 7.937 1.00 0.00 C ATOM 0 HA PRO A 62 -11.158 4.223 10.633 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -12.082 1.547 9.678 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -12.946 3.071 9.620 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -11.997 1.925 7.380 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -12.041 3.668 7.558 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -9.686 1.800 7.843 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -9.748 3.384 7.095 1.00 0.00 H new ATOM 958 N GLY A 63 -10.008 3.028 12.447 1.00 0.00 N ATOM 959 CA GLY A 63 -9.508 2.299 13.591 1.00 0.00 C ATOM 960 C GLY A 63 -8.012 2.464 13.768 1.00 0.00 C ATOM 961 O GLY A 63 -7.480 2.204 14.846 1.00 0.00 O ATOM 0 H GLY A 63 -10.019 4.042 12.557 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -10.018 2.644 14.490 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -9.744 1.241 13.476 1.00 0.00 H new ATOM 965 N MET A 64 -7.325 2.896 12.711 1.00 0.00 N ATOM 966 CA MET A 64 -5.883 3.115 12.786 1.00 0.00 C ATOM 967 C MET A 64 -5.575 4.560 12.436 1.00 0.00 C ATOM 968 O MET A 64 -6.234 5.155 11.588 1.00 0.00 O ATOM 969 CB MET A 64 -5.096 2.176 11.855 1.00 0.00 C ATOM 970 CG MET A 64 -5.523 0.717 11.927 1.00 0.00 C ATOM 971 SD MET A 64 -5.456 0.050 13.602 1.00 0.00 S ATOM 972 CE MET A 64 -6.473 -1.412 13.429 1.00 0.00 C ATOM 0 H MET A 64 -7.740 3.099 11.801 1.00 0.00 H new ATOM 0 HA MET A 64 -5.569 2.895 13.806 1.00 0.00 H new ATOM 0 HB2 MET A 64 -5.208 2.525 10.828 1.00 0.00 H new ATOM 0 HB3 MET A 64 -4.036 2.244 12.101 1.00 0.00 H new ATOM 0 HG2 MET A 64 -6.539 0.621 11.543 1.00 0.00 H new ATOM 0 HG3 MET A 64 -4.880 0.123 11.278 1.00 0.00 H new ATOM 0 HE1 MET A 64 -6.166 -2.157 14.163 1.00 0.00 H new ATOM 0 HE2 MET A 64 -7.518 -1.150 13.593 1.00 0.00 H new ATOM 0 HE3 MET A 64 -6.355 -1.821 12.425 1.00 0.00 H new ATOM 982 N LEU A 65 -4.574 5.117 13.089 1.00 0.00 N ATOM 983 CA LEU A 65 -4.226 6.524 12.930 1.00 0.00 C ATOM 984 C LEU A 65 -3.663 6.824 11.526 1.00 0.00 C ATOM 985 O LEU A 65 -4.058 6.199 10.519 1.00 0.00 O ATOM 986 CB LEU A 65 -3.205 6.909 14.009 1.00 0.00 C ATOM 987 CG LEU A 65 -3.645 6.641 15.450 1.00 0.00 C ATOM 988 CD1 LEU A 65 -2.510 6.951 16.416 1.00 0.00 C ATOM 989 CD2 LEU A 65 -4.877 7.466 15.791 1.00 0.00 C ATOM 0 H LEU A 65 -3.977 4.612 13.744 1.00 0.00 H new ATOM 0 HA LEU A 65 -5.132 7.119 13.042 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -2.280 6.364 13.822 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.976 7.970 13.908 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.901 5.586 15.545 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.838 6.756 17.437 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.652 6.320 16.183 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.227 7.999 16.320 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -5.177 7.264 16.819 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -4.647 8.526 15.682 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -5.691 7.200 15.117 1.00 0.00 H new ATOM 1001 N ARG A 66 -2.781 7.826 11.476 1.00 0.00 N ATOM 1002 CA ARG A 66 -2.064 8.192 10.262 1.00 0.00 C ATOM 1003 C ARG A 66 -1.044 7.138 9.872 1.00 0.00 C ATOM 1004 O ARG A 66 -0.742 6.217 10.632 1.00 0.00 O ATOM 1005 CB ARG A 66 -1.280 9.493 10.455 1.00 0.00 C ATOM 1006 CG ARG A 66 -2.047 10.784 10.252 1.00 0.00 C ATOM 1007 CD ARG A 66 -1.058 11.940 10.169 1.00 0.00 C ATOM 1008 NE ARG A 66 -1.689 13.250 10.069 1.00 0.00 N ATOM 1009 CZ ARG A 66 -1.113 14.293 9.469 1.00 0.00 C ATOM 1010 NH1 ARG A 66 0.014 14.139 8.774 1.00 0.00 N ATOM 1011 NH2 ARG A 66 -1.688 15.484 9.536 1.00 0.00 N ATOM 0 H ARG A 66 -2.547 8.405 12.282 1.00 0.00 H new ATOM 0 HA ARG A 66 -2.825 8.298 9.489 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -0.869 9.496 11.464 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -0.435 9.487 9.766 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -2.641 10.730 9.339 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -2.743 10.942 11.076 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -0.418 11.922 11.051 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -0.412 11.791 9.304 1.00 0.00 H new ATOM 0 HE ARG A 66 -2.615 13.375 10.477 1.00 0.00 H new ATOM 0 HH11 ARG A 66 0.444 13.217 8.697 1.00 0.00 H new ATOM 0 HH12 ARG A 66 0.446 14.943 8.319 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -2.565 15.599 10.044 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -1.254 16.286 9.080 1.00 0.00 H new ATOM 1025 N LEU A 67 -0.515 7.319 8.682 1.00 0.00 N ATOM 1026 CA LEU A 67 0.660 6.619 8.221 1.00 0.00 C ATOM 1027 C LEU A 67 1.368 7.509 7.211 1.00 0.00 C ATOM 1028 O LEU A 67 1.085 7.459 6.015 1.00 0.00 O ATOM 1029 CB LEU A 67 0.290 5.267 7.603 1.00 0.00 C ATOM 1030 CG LEU A 67 1.445 4.504 6.954 1.00 0.00 C ATOM 1031 CD1 LEU A 67 2.499 4.139 7.988 1.00 0.00 C ATOM 1032 CD2 LEU A 67 0.927 3.263 6.249 1.00 0.00 C ATOM 0 H LEU A 67 -0.898 7.969 7.996 1.00 0.00 H new ATOM 0 HA LEU A 67 1.322 6.408 9.061 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -0.147 4.639 8.380 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.483 5.429 6.852 1.00 0.00 H new ATOM 0 HG LEU A 67 1.913 5.151 6.212 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.311 3.597 7.504 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.891 5.048 8.445 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.051 3.510 8.758 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.760 2.730 5.792 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.433 2.613 6.972 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.215 3.554 5.477 1.00 0.00 H new ATOM 1044 N ASP A 68 2.241 8.371 7.713 1.00 0.00 N ATOM 1045 CA ASP A 68 2.917 9.352 6.875 1.00 0.00 C ATOM 1046 C ASP A 68 4.139 8.734 6.214 1.00 0.00 C ATOM 1047 O ASP A 68 5.163 8.502 6.865 1.00 0.00 O ATOM 1048 CB ASP A 68 3.335 10.580 7.693 1.00 0.00 C ATOM 1049 CG ASP A 68 2.178 11.232 8.430 1.00 0.00 C ATOM 1050 OD1 ASP A 68 1.458 12.054 7.825 1.00 0.00 O ATOM 1051 OD2 ASP A 68 1.995 10.935 9.629 1.00 0.00 O ATOM 0 H ASP A 68 2.498 8.411 8.699 1.00 0.00 H new ATOM 0 HA ASP A 68 2.216 9.672 6.104 1.00 0.00 H new ATOM 0 HB2 ASP A 68 4.097 10.285 8.415 1.00 0.00 H new ATOM 0 HB3 ASP A 68 3.792 11.313 7.028 1.00 0.00 H new ATOM 1056 N ILE A 69 4.016 8.448 4.930 1.00 0.00 N ATOM 1057 CA ILE A 69 5.110 7.886 4.152 1.00 0.00 C ATOM 1058 C ILE A 69 5.522 8.876 3.070 1.00 0.00 C ATOM 1059 O ILE A 69 4.664 9.486 2.446 1.00 0.00 O ATOM 1060 CB ILE A 69 4.683 6.564 3.468 1.00 0.00 C ATOM 1061 CG1 ILE A 69 4.064 5.599 4.480 1.00 0.00 C ATOM 1062 CG2 ILE A 69 5.870 5.907 2.775 1.00 0.00 C ATOM 1063 CD1 ILE A 69 3.460 4.367 3.841 1.00 0.00 C ATOM 0 H ILE A 69 3.159 8.597 4.397 1.00 0.00 H new ATOM 0 HA ILE A 69 5.940 7.686 4.829 1.00 0.00 H new ATOM 0 HB ILE A 69 3.931 6.805 2.717 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.829 5.292 5.193 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.292 6.122 5.045 1.00 0.00 H new ATOM 0 HG21 ILE A 69 5.547 4.980 2.301 1.00 0.00 H new ATOM 0 HG22 ILE A 69 6.268 6.582 2.018 1.00 0.00 H new ATOM 0 HG23 ILE A 69 6.645 5.688 3.510 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.039 3.725 4.615 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.673 4.665 3.148 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.233 3.822 3.299 1.00 0.00 H new ATOM 1075 N PRO A 70 6.826 9.083 2.845 1.00 0.00 N ATOM 1076 CA PRO A 70 7.293 9.874 1.705 1.00 0.00 C ATOM 1077 C PRO A 70 6.793 9.272 0.391 1.00 0.00 C ATOM 1078 O PRO A 70 6.768 8.052 0.243 1.00 0.00 O ATOM 1079 CB PRO A 70 8.821 9.788 1.803 1.00 0.00 C ATOM 1080 CG PRO A 70 9.098 9.427 3.223 1.00 0.00 C ATOM 1081 CD PRO A 70 7.937 8.584 3.670 1.00 0.00 C ATOM 0 HA PRO A 70 6.929 10.901 1.722 1.00 0.00 H new ATOM 0 HB2 PRO A 70 9.218 9.037 1.120 1.00 0.00 H new ATOM 0 HB3 PRO A 70 9.287 10.737 1.539 1.00 0.00 H new ATOM 0 HG2 PRO A 70 10.035 8.878 3.310 1.00 0.00 H new ATOM 0 HG3 PRO A 70 9.193 10.320 3.841 1.00 0.00 H new ATOM 0 HD2 PRO A 70 8.120 7.523 3.500 1.00 0.00 H new ATOM 0 HD3 PRO A 70 7.736 8.707 4.734 1.00 0.00 H new ATOM 1089 N LEU A 71 6.383 10.128 -0.548 1.00 0.00 N ATOM 1090 CA LEU A 71 5.798 9.672 -1.815 1.00 0.00 C ATOM 1091 C LEU A 71 6.688 8.659 -2.529 1.00 0.00 C ATOM 1092 O LEU A 71 6.194 7.759 -3.214 1.00 0.00 O ATOM 1093 CB LEU A 71 5.515 10.859 -2.737 1.00 0.00 C ATOM 1094 CG LEU A 71 4.335 11.736 -2.318 1.00 0.00 C ATOM 1095 CD1 LEU A 71 4.200 12.926 -3.249 1.00 0.00 C ATOM 1096 CD2 LEU A 71 3.048 10.924 -2.307 1.00 0.00 C ATOM 0 H LEU A 71 6.445 11.142 -0.456 1.00 0.00 H new ATOM 0 HA LEU A 71 4.860 9.174 -1.570 1.00 0.00 H new ATOM 0 HB2 LEU A 71 6.409 11.480 -2.790 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.329 10.482 -3.743 1.00 0.00 H new ATOM 0 HG LEU A 71 4.521 12.106 -1.310 1.00 0.00 H new ATOM 0 HD11 LEU A 71 3.355 13.539 -2.936 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.113 13.521 -3.214 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.035 12.574 -4.267 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.217 11.563 -2.007 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.859 10.528 -3.305 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.145 10.099 -1.602 1.00 0.00 H new ATOM 1217 N VAL A 80 13.709 -0.919 0.838 1.00 0.00 N ATOM 1218 CA VAL A 80 13.850 -2.360 0.972 1.00 0.00 C ATOM 1219 C VAL A 80 13.256 -3.068 -0.236 1.00 0.00 C ATOM 1220 O VAL A 80 12.080 -2.899 -0.548 1.00 0.00 O ATOM 1221 CB VAL A 80 13.166 -2.878 2.254 1.00 0.00 C ATOM 1222 CG1 VAL A 80 13.417 -4.367 2.440 1.00 0.00 C ATOM 1223 CG2 VAL A 80 13.646 -2.099 3.465 1.00 0.00 C ATOM 0 HA VAL A 80 14.916 -2.577 1.035 1.00 0.00 H new ATOM 0 HB VAL A 80 12.091 -2.727 2.150 1.00 0.00 H new ATOM 0 HG11 VAL A 80 12.925 -4.708 3.351 1.00 0.00 H new ATOM 0 HG12 VAL A 80 13.018 -4.913 1.585 1.00 0.00 H new ATOM 0 HG13 VAL A 80 14.489 -4.548 2.518 1.00 0.00 H new ATOM 0 HG21 VAL A 80 13.153 -2.478 4.360 1.00 0.00 H new ATOM 0 HG22 VAL A 80 14.725 -2.215 3.568 1.00 0.00 H new ATOM 0 HG23 VAL A 80 13.405 -1.044 3.338 1.00 0.00 H new ATOM 1233 N ARG A 81 14.072 -3.855 -0.914 1.00 0.00 N ATOM 1234 CA ARG A 81 13.612 -4.573 -2.091 1.00 0.00 C ATOM 1235 C ARG A 81 13.236 -6.007 -1.747 1.00 0.00 C ATOM 1236 O ARG A 81 14.097 -6.860 -1.523 1.00 0.00 O ATOM 1237 CB ARG A 81 14.659 -4.553 -3.216 1.00 0.00 C ATOM 1238 CG ARG A 81 16.082 -4.841 -2.760 1.00 0.00 C ATOM 1239 CD ARG A 81 16.876 -3.555 -2.600 1.00 0.00 C ATOM 1240 NE ARG A 81 17.054 -2.873 -3.880 1.00 0.00 N ATOM 1241 CZ ARG A 81 16.853 -1.569 -4.070 1.00 0.00 C ATOM 1242 NH1 ARG A 81 16.413 -0.802 -3.078 1.00 0.00 N ATOM 1243 NH2 ARG A 81 17.085 -1.026 -5.258 1.00 0.00 N ATOM 0 H ARG A 81 15.050 -4.013 -0.673 1.00 0.00 H new ATOM 0 HA ARG A 81 12.722 -4.057 -2.451 1.00 0.00 H new ATOM 0 HB2 ARG A 81 14.377 -5.288 -3.970 1.00 0.00 H new ATOM 0 HB3 ARG A 81 14.636 -3.576 -3.699 1.00 0.00 H new ATOM 0 HG2 ARG A 81 16.062 -5.380 -1.813 1.00 0.00 H new ATOM 0 HG3 ARG A 81 16.575 -5.489 -3.485 1.00 0.00 H new ATOM 0 HD2 ARG A 81 16.362 -2.893 -1.902 1.00 0.00 H new ATOM 0 HD3 ARG A 81 17.851 -3.779 -2.167 1.00 0.00 H new ATOM 0 HE ARG A 81 17.351 -3.431 -4.680 1.00 0.00 H new ATOM 0 HH11 ARG A 81 16.226 -1.210 -2.162 1.00 0.00 H new ATOM 0 HH12 ARG A 81 16.262 0.195 -3.233 1.00 0.00 H new ATOM 0 HH21 ARG A 81 17.418 -1.607 -6.028 1.00 0.00 H new ATOM 0 HH22 ARG A 81 16.931 -0.028 -5.402 1.00 0.00 H new ATOM 1257 N TYR A 82 11.942 -6.256 -1.682 1.00 0.00 N ATOM 1258 CA TYR A 82 11.435 -7.603 -1.506 1.00 0.00 C ATOM 1259 C TYR A 82 11.107 -8.192 -2.866 1.00 0.00 C ATOM 1260 O TYR A 82 10.259 -7.669 -3.586 1.00 0.00 O ATOM 1261 CB TYR A 82 10.186 -7.617 -0.612 1.00 0.00 C ATOM 1262 CG TYR A 82 10.467 -7.352 0.851 1.00 0.00 C ATOM 1263 CD1 TYR A 82 11.329 -8.173 1.566 1.00 0.00 C ATOM 1264 CD2 TYR A 82 9.877 -6.283 1.517 1.00 0.00 C ATOM 1265 CE1 TYR A 82 11.594 -7.940 2.901 1.00 0.00 C ATOM 1266 CE2 TYR A 82 10.139 -6.045 2.851 1.00 0.00 C ATOM 1267 CZ TYR A 82 10.999 -6.874 3.538 1.00 0.00 C ATOM 1268 OH TYR A 82 11.261 -6.637 4.867 1.00 0.00 O ATOM 0 H TYR A 82 11.220 -5.539 -1.749 1.00 0.00 H new ATOM 0 HA TYR A 82 12.201 -8.203 -1.015 1.00 0.00 H new ATOM 0 HB2 TYR A 82 9.483 -6.868 -0.977 1.00 0.00 H new ATOM 0 HB3 TYR A 82 9.696 -8.586 -0.707 1.00 0.00 H new ATOM 0 HD1 TYR A 82 11.800 -9.008 1.069 1.00 0.00 H new ATOM 0 HD2 TYR A 82 9.204 -5.629 0.982 1.00 0.00 H new ATOM 0 HE1 TYR A 82 12.265 -8.591 3.443 1.00 0.00 H new ATOM 0 HE2 TYR A 82 9.672 -5.212 3.355 1.00 0.00 H new ATOM 0 HH TYR A 82 11.191 -5.676 5.048 1.00 0.00 H new ATOM 1278 N GLN A 83 11.802 -9.245 -3.246 1.00 0.00 N ATOM 1279 CA GLN A 83 11.505 -9.903 -4.499 1.00 0.00 C ATOM 1280 C GLN A 83 10.310 -10.827 -4.294 1.00 0.00 C ATOM 1281 O GLN A 83 10.441 -11.935 -3.771 1.00 0.00 O ATOM 1282 CB GLN A 83 12.728 -10.659 -5.018 1.00 0.00 C ATOM 1283 CG GLN A 83 12.596 -11.105 -6.464 1.00 0.00 C ATOM 1284 CD GLN A 83 13.904 -11.602 -7.040 1.00 0.00 C ATOM 1285 OE1 GLN A 83 14.225 -12.785 -6.956 1.00 0.00 O ATOM 1286 NE2 GLN A 83 14.668 -10.700 -7.631 1.00 0.00 N ATOM 0 H GLN A 83 12.567 -9.658 -2.712 1.00 0.00 H new ATOM 0 HA GLN A 83 11.251 -9.163 -5.257 1.00 0.00 H new ATOM 0 HB2 GLN A 83 13.607 -10.022 -4.921 1.00 0.00 H new ATOM 0 HB3 GLN A 83 12.898 -11.534 -4.390 1.00 0.00 H new ATOM 0 HG2 GLN A 83 11.850 -11.897 -6.530 1.00 0.00 H new ATOM 0 HG3 GLN A 83 12.231 -10.272 -7.066 1.00 0.00 H new ATOM 0 HE21 GLN A 83 14.364 -9.727 -7.679 1.00 0.00 H new ATOM 0 HE22 GLN A 83 15.561 -10.976 -8.039 1.00 0.00 H new ATOM 1295 N MET A 84 9.141 -10.347 -4.691 1.00 0.00 N ATOM 1296 CA MET A 84 7.894 -11.009 -4.366 1.00 0.00 C ATOM 1297 C MET A 84 7.582 -12.061 -5.410 1.00 0.00 C ATOM 1298 O MET A 84 8.076 -11.989 -6.533 1.00 0.00 O ATOM 1299 CB MET A 84 6.758 -9.989 -4.271 1.00 0.00 C ATOM 1300 CG MET A 84 5.942 -10.120 -2.997 1.00 0.00 C ATOM 1301 SD MET A 84 6.945 -9.901 -1.513 1.00 0.00 S ATOM 1302 CE MET A 84 5.735 -10.206 -0.228 1.00 0.00 C ATOM 0 H MET A 84 9.034 -9.496 -5.242 1.00 0.00 H new ATOM 0 HA MET A 84 7.994 -11.498 -3.397 1.00 0.00 H new ATOM 0 HB2 MET A 84 7.175 -8.984 -4.326 1.00 0.00 H new ATOM 0 HB3 MET A 84 6.099 -10.108 -5.131 1.00 0.00 H new ATOM 0 HG2 MET A 84 5.141 -9.380 -3.004 1.00 0.00 H new ATOM 0 HG3 MET A 84 5.469 -11.102 -2.971 1.00 0.00 H new ATOM 0 HE1 MET A 84 5.630 -9.315 0.392 1.00 0.00 H new ATOM 0 HE2 MET A 84 4.774 -10.447 -0.683 1.00 0.00 H new ATOM 0 HE3 MET A 84 6.064 -11.041 0.390 1.00 0.00 H new ATOM 1312 N LEU A 85 6.741 -13.016 -5.059 1.00 0.00 N ATOM 1313 CA LEU A 85 6.492 -14.138 -5.926 1.00 0.00 C ATOM 1314 C LEU A 85 5.034 -14.154 -6.327 1.00 0.00 C ATOM 1315 O LEU A 85 4.186 -14.769 -5.676 1.00 0.00 O ATOM 1316 CB LEU A 85 6.869 -15.456 -5.256 1.00 0.00 C ATOM 1317 CG LEU A 85 6.738 -16.681 -6.160 1.00 0.00 C ATOM 1318 CD1 LEU A 85 7.784 -16.648 -7.263 1.00 0.00 C ATOM 1319 CD2 LEU A 85 6.850 -17.957 -5.351 1.00 0.00 C ATOM 0 H LEU A 85 6.223 -13.032 -4.181 1.00 0.00 H new ATOM 0 HA LEU A 85 7.115 -14.029 -6.814 1.00 0.00 H new ATOM 0 HB2 LEU A 85 7.898 -15.389 -4.902 1.00 0.00 H new ATOM 0 HB3 LEU A 85 6.238 -15.597 -4.378 1.00 0.00 H new ATOM 0 HG LEU A 85 5.753 -16.659 -6.625 1.00 0.00 H new ATOM 0 HD11 LEU A 85 7.674 -17.529 -7.896 1.00 0.00 H new ATOM 0 HD12 LEU A 85 7.649 -15.750 -7.865 1.00 0.00 H new ATOM 0 HD13 LEU A 85 8.780 -16.642 -6.820 1.00 0.00 H new ATOM 0 HD21 LEU A 85 6.754 -18.817 -6.013 1.00 0.00 H new ATOM 0 HD22 LEU A 85 7.819 -17.988 -4.853 1.00 0.00 H new ATOM 0 HD23 LEU A 85 6.057 -17.985 -4.603 1.00 0.00 H new ATOM 1331 N VAL A 86 4.751 -13.442 -7.385 1.00 0.00 N ATOM 1332 CA VAL A 86 3.395 -13.304 -7.876 1.00 0.00 C ATOM 1333 C VAL A 86 2.999 -14.548 -8.659 1.00 0.00 C ATOM 1334 O VAL A 86 3.195 -14.622 -9.874 1.00 0.00 O ATOM 1335 CB VAL A 86 3.246 -12.057 -8.768 1.00 0.00 C ATOM 1336 CG1 VAL A 86 1.788 -11.657 -8.890 1.00 0.00 C ATOM 1337 CG2 VAL A 86 4.079 -10.907 -8.223 1.00 0.00 C ATOM 0 H VAL A 86 5.449 -12.940 -7.934 1.00 0.00 H new ATOM 0 HA VAL A 86 2.735 -13.187 -7.016 1.00 0.00 H new ATOM 0 HB VAL A 86 3.614 -12.301 -9.764 1.00 0.00 H new ATOM 0 HG11 VAL A 86 1.705 -10.774 -9.524 1.00 0.00 H new ATOM 0 HG12 VAL A 86 1.222 -12.476 -9.333 1.00 0.00 H new ATOM 0 HG13 VAL A 86 1.388 -11.432 -7.901 1.00 0.00 H new ATOM 0 HG21 VAL A 86 3.961 -10.035 -8.866 1.00 0.00 H new ATOM 0 HG22 VAL A 86 3.745 -10.662 -7.215 1.00 0.00 H new ATOM 0 HG23 VAL A 86 5.129 -11.199 -8.197 1.00 0.00 H new ATOM 1347 N GLY A 87 2.495 -15.544 -7.942 1.00 0.00 N ATOM 1348 CA GLY A 87 2.127 -16.803 -8.559 1.00 0.00 C ATOM 1349 C GLY A 87 3.344 -17.654 -8.858 1.00 0.00 C ATOM 1350 O GLY A 87 3.557 -18.693 -8.236 1.00 0.00 O ATOM 0 H GLY A 87 2.334 -15.501 -6.936 1.00 0.00 H new ATOM 0 HA2 GLY A 87 1.454 -17.349 -7.899 1.00 0.00 H new ATOM 0 HA3 GLY A 87 1.581 -16.610 -9.483 1.00 0.00 H new ATOM 1354 N GLU A 88 4.141 -17.204 -9.813 1.00 0.00 N ATOM 1355 CA GLU A 88 5.374 -17.883 -10.176 1.00 0.00 C ATOM 1356 C GLU A 88 6.439 -16.869 -10.581 1.00 0.00 C ATOM 1357 O GLU A 88 7.546 -17.240 -10.971 1.00 0.00 O ATOM 1358 CB GLU A 88 5.132 -18.838 -11.343 1.00 0.00 C ATOM 1359 CG GLU A 88 4.612 -18.142 -12.592 1.00 0.00 C ATOM 1360 CD GLU A 88 4.912 -18.914 -13.856 1.00 0.00 C ATOM 1361 OE1 GLU A 88 6.007 -18.723 -14.423 1.00 0.00 O ATOM 1362 OE2 GLU A 88 4.061 -19.717 -14.288 1.00 0.00 O ATOM 0 H GLU A 88 3.953 -16.362 -10.356 1.00 0.00 H new ATOM 0 HA GLU A 88 5.717 -18.447 -9.308 1.00 0.00 H new ATOM 0 HB2 GLU A 88 6.063 -19.351 -11.583 1.00 0.00 H new ATOM 0 HB3 GLU A 88 4.417 -19.601 -11.036 1.00 0.00 H new ATOM 0 HG2 GLU A 88 3.535 -18.002 -12.503 1.00 0.00 H new ATOM 0 HG3 GLU A 88 5.058 -17.150 -12.662 1.00 0.00 H new ATOM 1369 N GLN A 89 6.105 -15.589 -10.481 1.00 0.00 N ATOM 1370 CA GLN A 89 6.954 -14.539 -11.015 1.00 0.00 C ATOM 1371 C GLN A 89 7.598 -13.734 -9.894 1.00 0.00 C ATOM 1372 O GLN A 89 6.923 -12.992 -9.179 1.00 0.00 O ATOM 1373 CB GLN A 89 6.118 -13.641 -11.933 1.00 0.00 C ATOM 1374 CG GLN A 89 6.869 -12.461 -12.520 1.00 0.00 C ATOM 1375 CD GLN A 89 6.256 -11.981 -13.821 1.00 0.00 C ATOM 1376 OE1 GLN A 89 6.668 -12.398 -14.901 1.00 0.00 O ATOM 1377 NE2 GLN A 89 5.248 -11.127 -13.735 1.00 0.00 N ATOM 0 H GLN A 89 5.251 -15.255 -10.034 1.00 0.00 H new ATOM 0 HA GLN A 89 7.763 -14.987 -11.592 1.00 0.00 H new ATOM 0 HB2 GLN A 89 5.724 -14.246 -12.749 1.00 0.00 H new ATOM 0 HB3 GLN A 89 5.262 -13.267 -11.371 1.00 0.00 H new ATOM 0 HG2 GLN A 89 6.876 -11.643 -11.800 1.00 0.00 H new ATOM 0 HG3 GLN A 89 7.908 -12.743 -12.692 1.00 0.00 H new ATOM 0 HE21 GLN A 89 4.932 -10.802 -12.821 1.00 0.00 H new ATOM 0 HE22 GLN A 89 4.788 -10.795 -14.582 1.00 0.00 H new ATOM 1386 N THR A 90 8.905 -13.905 -9.735 1.00 0.00 N ATOM 1387 CA THR A 90 9.651 -13.183 -8.719 1.00 0.00 C ATOM 1388 C THR A 90 10.075 -11.814 -9.235 1.00 0.00 C ATOM 1389 O THR A 90 10.991 -11.696 -10.054 1.00 0.00 O ATOM 1390 CB THR A 90 10.887 -13.973 -8.260 1.00 0.00 C ATOM 1391 OG1 THR A 90 10.985 -15.202 -8.996 1.00 0.00 O ATOM 1392 CG2 THR A 90 10.809 -14.273 -6.769 1.00 0.00 C ATOM 0 H THR A 90 9.469 -14.540 -10.300 1.00 0.00 H new ATOM 0 HA THR A 90 8.991 -13.053 -7.861 1.00 0.00 H new ATOM 0 HB THR A 90 11.773 -13.367 -8.449 1.00 0.00 H new ATOM 0 HG1 THR A 90 11.776 -15.699 -8.699 1.00 0.00 H new ATOM 0 HG21 THR A 90 11.693 -14.833 -6.464 1.00 0.00 H new ATOM 0 HG22 THR A 90 10.762 -13.337 -6.212 1.00 0.00 H new ATOM 0 HG23 THR A 90 9.916 -14.864 -6.563 1.00 0.00 H new ATOM 1400 N VAL A 91 9.392 -10.787 -8.767 1.00 0.00 N ATOM 1401 CA VAL A 91 9.644 -9.425 -9.212 1.00 0.00 C ATOM 1402 C VAL A 91 10.081 -8.542 -8.051 1.00 0.00 C ATOM 1403 O VAL A 91 9.619 -8.712 -6.922 1.00 0.00 O ATOM 1404 CB VAL A 91 8.401 -8.816 -9.892 1.00 0.00 C ATOM 1405 CG1 VAL A 91 8.283 -9.320 -11.323 1.00 0.00 C ATOM 1406 CG2 VAL A 91 7.138 -9.156 -9.111 1.00 0.00 C ATOM 0 H VAL A 91 8.650 -10.869 -8.072 1.00 0.00 H new ATOM 0 HA VAL A 91 10.451 -9.470 -9.943 1.00 0.00 H new ATOM 0 HB VAL A 91 8.516 -7.732 -9.907 1.00 0.00 H new ATOM 0 HG11 VAL A 91 7.401 -8.882 -11.791 1.00 0.00 H new ATOM 0 HG12 VAL A 91 9.172 -9.033 -11.884 1.00 0.00 H new ATOM 0 HG13 VAL A 91 8.191 -10.406 -11.320 1.00 0.00 H new ATOM 0 HG21 VAL A 91 6.273 -8.717 -9.608 1.00 0.00 H new ATOM 0 HG22 VAL A 91 7.019 -10.239 -9.065 1.00 0.00 H new ATOM 0 HG23 VAL A 91 7.217 -8.757 -8.100 1.00 0.00 H new ATOM 1416 N ASP A 92 10.973 -7.606 -8.338 1.00 0.00 N ATOM 1417 CA ASP A 92 11.516 -6.721 -7.314 1.00 0.00 C ATOM 1418 C ASP A 92 10.536 -5.601 -6.983 1.00 0.00 C ATOM 1419 O ASP A 92 10.257 -4.732 -7.815 1.00 0.00 O ATOM 1420 CB ASP A 92 12.852 -6.119 -7.770 1.00 0.00 C ATOM 1421 CG ASP A 92 13.986 -7.131 -7.797 1.00 0.00 C ATOM 1422 OD1 ASP A 92 13.904 -8.119 -8.559 1.00 0.00 O ATOM 1423 OD2 ASP A 92 14.976 -6.929 -7.066 1.00 0.00 O ATOM 0 H ASP A 92 11.339 -7.438 -9.275 1.00 0.00 H new ATOM 0 HA ASP A 92 11.682 -7.317 -6.417 1.00 0.00 H new ATOM 0 HB2 ASP A 92 12.730 -5.693 -8.766 1.00 0.00 H new ATOM 0 HB3 ASP A 92 13.121 -5.300 -7.103 1.00 0.00 H new ATOM 1428 N VAL A 93 10.009 -5.634 -5.769 1.00 0.00 N ATOM 1429 CA VAL A 93 9.113 -4.593 -5.294 1.00 0.00 C ATOM 1430 C VAL A 93 9.712 -3.932 -4.055 1.00 0.00 C ATOM 1431 O VAL A 93 10.494 -4.552 -3.333 1.00 0.00 O ATOM 1432 CB VAL A 93 7.700 -5.149 -4.980 1.00 0.00 C ATOM 1433 CG1 VAL A 93 7.120 -5.879 -6.186 1.00 0.00 C ATOM 1434 CG2 VAL A 93 7.729 -6.076 -3.779 1.00 0.00 C ATOM 0 H VAL A 93 10.188 -6.375 -5.092 1.00 0.00 H new ATOM 0 HA VAL A 93 9.000 -3.853 -6.086 1.00 0.00 H new ATOM 0 HB VAL A 93 7.060 -4.298 -4.745 1.00 0.00 H new ATOM 0 HG11 VAL A 93 6.129 -6.259 -5.939 1.00 0.00 H new ATOM 0 HG12 VAL A 93 7.045 -5.190 -7.027 1.00 0.00 H new ATOM 0 HG13 VAL A 93 7.771 -6.711 -6.455 1.00 0.00 H new ATOM 0 HG21 VAL A 93 6.724 -6.450 -3.584 1.00 0.00 H new ATOM 0 HG22 VAL A 93 8.395 -6.915 -3.983 1.00 0.00 H new ATOM 0 HG23 VAL A 93 8.089 -5.530 -2.907 1.00 0.00 H new ATOM 1444 N VAL A 94 9.374 -2.675 -3.821 1.00 0.00 N ATOM 1445 CA VAL A 94 9.960 -1.930 -2.715 1.00 0.00 C ATOM 1446 C VAL A 94 8.986 -1.817 -1.551 1.00 0.00 C ATOM 1447 O VAL A 94 7.801 -1.558 -1.746 1.00 0.00 O ATOM 1448 CB VAL A 94 10.397 -0.514 -3.160 1.00 0.00 C ATOM 1449 CG1 VAL A 94 10.973 0.278 -1.994 1.00 0.00 C ATOM 1450 CG2 VAL A 94 11.406 -0.607 -4.293 1.00 0.00 C ATOM 0 H VAL A 94 8.700 -2.149 -4.378 1.00 0.00 H new ATOM 0 HA VAL A 94 10.840 -2.484 -2.388 1.00 0.00 H new ATOM 0 HB VAL A 94 9.514 0.016 -3.518 1.00 0.00 H new ATOM 0 HG11 VAL A 94 11.271 1.268 -2.339 1.00 0.00 H new ATOM 0 HG12 VAL A 94 10.219 0.377 -1.213 1.00 0.00 H new ATOM 0 HG13 VAL A 94 11.843 -0.244 -1.594 1.00 0.00 H new ATOM 0 HG21 VAL A 94 11.705 0.396 -4.597 1.00 0.00 H new ATOM 0 HG22 VAL A 94 12.282 -1.161 -3.955 1.00 0.00 H new ATOM 0 HG23 VAL A 94 10.955 -1.123 -5.140 1.00 0.00 H new ATOM 1460 N ASP A 95 9.494 -2.046 -0.350 1.00 0.00 N ATOM 1461 CA ASP A 95 8.718 -1.852 0.866 1.00 0.00 C ATOM 1462 C ASP A 95 8.766 -0.384 1.257 1.00 0.00 C ATOM 1463 O ASP A 95 9.847 0.196 1.390 1.00 0.00 O ATOM 1464 CB ASP A 95 9.274 -2.723 2.002 1.00 0.00 C ATOM 1465 CG ASP A 95 8.536 -2.544 3.321 1.00 0.00 C ATOM 1466 OD1 ASP A 95 7.413 -1.997 3.319 1.00 0.00 O ATOM 1467 OD2 ASP A 95 9.072 -2.971 4.367 1.00 0.00 O ATOM 0 H ASP A 95 10.448 -2.369 -0.191 1.00 0.00 H new ATOM 0 HA ASP A 95 7.685 -2.148 0.686 1.00 0.00 H new ATOM 0 HB2 ASP A 95 9.222 -3.770 1.705 1.00 0.00 H new ATOM 0 HB3 ASP A 95 10.328 -2.485 2.149 1.00 0.00 H new ATOM 1472 N GLU A 96 7.599 0.211 1.437 1.00 0.00 N ATOM 1473 CA GLU A 96 7.514 1.633 1.730 1.00 0.00 C ATOM 1474 C GLU A 96 7.768 1.889 3.212 1.00 0.00 C ATOM 1475 O GLU A 96 7.839 3.038 3.655 1.00 0.00 O ATOM 1476 CB GLU A 96 6.146 2.181 1.322 1.00 0.00 C ATOM 1477 CG GLU A 96 5.772 1.879 -0.121 1.00 0.00 C ATOM 1478 CD GLU A 96 6.779 2.417 -1.125 1.00 0.00 C ATOM 1479 OE1 GLU A 96 6.623 3.573 -1.575 1.00 0.00 O ATOM 1480 OE2 GLU A 96 7.710 1.678 -1.501 1.00 0.00 O ATOM 0 H GLU A 96 6.699 -0.266 1.386 1.00 0.00 H new ATOM 0 HA GLU A 96 8.281 2.150 1.153 1.00 0.00 H new ATOM 0 HB2 GLU A 96 5.385 1.762 1.981 1.00 0.00 H new ATOM 0 HB3 GLU A 96 6.137 3.261 1.472 1.00 0.00 H new ATOM 0 HG2 GLU A 96 5.682 0.800 -0.248 1.00 0.00 H new ATOM 0 HG3 GLU A 96 4.792 2.307 -0.333 1.00 0.00 H new ATOM 1487 N GLY A 97 7.893 0.814 3.978 1.00 0.00 N ATOM 1488 CA GLY A 97 8.215 0.939 5.378 1.00 0.00 C ATOM 1489 C GLY A 97 7.565 -0.137 6.216 1.00 0.00 C ATOM 1490 O GLY A 97 6.385 -0.448 6.043 1.00 0.00 O ATOM 0 H GLY A 97 7.776 -0.144 3.649 1.00 0.00 H new ATOM 0 HA2 GLY A 97 9.297 0.891 5.505 1.00 0.00 H new ATOM 0 HA3 GLY A 97 7.895 1.918 5.736 1.00 0.00 H new ATOM 1494 N GLU A 98 8.322 -0.694 7.146 1.00 0.00 N ATOM 1495 CA GLU A 98 7.808 -1.744 8.008 1.00 0.00 C ATOM 1496 C GLU A 98 6.765 -1.185 8.970 1.00 0.00 C ATOM 1497 O GLU A 98 5.907 -1.917 9.466 1.00 0.00 O ATOM 1498 CB GLU A 98 8.949 -2.419 8.769 1.00 0.00 C ATOM 1499 CG GLU A 98 10.073 -2.873 7.854 1.00 0.00 C ATOM 1500 CD GLU A 98 10.896 -3.994 8.441 1.00 0.00 C ATOM 1501 OE1 GLU A 98 11.860 -3.709 9.179 1.00 0.00 O ATOM 1502 OE2 GLU A 98 10.588 -5.169 8.150 1.00 0.00 O ATOM 0 H GLU A 98 9.293 -0.437 7.323 1.00 0.00 H new ATOM 0 HA GLU A 98 7.324 -2.497 7.386 1.00 0.00 H new ATOM 0 HB2 GLU A 98 9.346 -1.726 9.510 1.00 0.00 H new ATOM 0 HB3 GLU A 98 8.559 -3.279 9.314 1.00 0.00 H new ATOM 0 HG2 GLU A 98 9.651 -3.199 6.903 1.00 0.00 H new ATOM 0 HG3 GLU A 98 10.724 -2.026 7.640 1.00 0.00 H new ATOM 1509 N LEU A 99 6.833 0.122 9.218 1.00 0.00 N ATOM 1510 CA LEU A 99 5.805 0.802 9.993 1.00 0.00 C ATOM 1511 C LEU A 99 4.474 0.752 9.246 1.00 0.00 C ATOM 1512 O LEU A 99 3.408 0.702 9.853 1.00 0.00 O ATOM 1513 CB LEU A 99 6.193 2.263 10.289 1.00 0.00 C ATOM 1514 CG LEU A 99 6.085 3.253 9.116 1.00 0.00 C ATOM 1515 CD1 LEU A 99 6.161 4.683 9.624 1.00 0.00 C ATOM 1516 CD2 LEU A 99 7.180 3.016 8.087 1.00 0.00 C ATOM 0 H LEU A 99 7.588 0.727 8.893 1.00 0.00 H new ATOM 0 HA LEU A 99 5.706 0.285 10.948 1.00 0.00 H new ATOM 0 HB2 LEU A 99 5.562 2.626 11.101 1.00 0.00 H new ATOM 0 HB3 LEU A 99 7.220 2.276 10.653 1.00 0.00 H new ATOM 0 HG LEU A 99 5.121 3.090 8.634 1.00 0.00 H new ATOM 0 HD11 LEU A 99 6.083 5.372 8.783 1.00 0.00 H new ATOM 0 HD12 LEU A 99 5.342 4.866 10.320 1.00 0.00 H new ATOM 0 HD13 LEU A 99 7.112 4.838 10.134 1.00 0.00 H new ATOM 0 HD21 LEU A 99 7.075 3.732 7.272 1.00 0.00 H new ATOM 0 HD22 LEU A 99 8.155 3.143 8.558 1.00 0.00 H new ATOM 0 HD23 LEU A 99 7.096 2.003 7.693 1.00 0.00 H new ATOM 1528 N ALA A 100 4.553 0.740 7.917 1.00 0.00 N ATOM 1529 CA ALA A 100 3.370 0.645 7.080 1.00 0.00 C ATOM 1530 C ALA A 100 2.824 -0.773 7.115 1.00 0.00 C ATOM 1531 O ALA A 100 1.611 -0.987 7.130 1.00 0.00 O ATOM 1532 CB ALA A 100 3.688 1.060 5.651 1.00 0.00 C ATOM 0 H ALA A 100 5.430 0.795 7.400 1.00 0.00 H new ATOM 0 HA ALA A 100 2.611 1.324 7.468 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.788 0.982 5.041 1.00 0.00 H new ATOM 0 HB2 ALA A 100 4.044 2.090 5.642 1.00 0.00 H new ATOM 0 HB3 ALA A 100 4.460 0.406 5.245 1.00 0.00 H new ATOM 1538 N ALA A 101 3.735 -1.739 7.138 1.00 0.00 N ATOM 1539 CA ALA A 101 3.361 -3.140 7.260 1.00 0.00 C ATOM 1540 C ALA A 101 2.588 -3.379 8.553 1.00 0.00 C ATOM 1541 O ALA A 101 1.540 -4.020 8.546 1.00 0.00 O ATOM 1542 CB ALA A 101 4.595 -4.027 7.209 1.00 0.00 C ATOM 0 H ALA A 101 4.740 -1.575 7.074 1.00 0.00 H new ATOM 0 HA ALA A 101 2.715 -3.396 6.420 1.00 0.00 H new ATOM 0 HB1 ALA A 101 4.297 -5.071 7.302 1.00 0.00 H new ATOM 0 HB2 ALA A 101 5.110 -3.880 6.260 1.00 0.00 H new ATOM 0 HB3 ALA A 101 5.264 -3.767 8.029 1.00 0.00 H new ATOM 1548 N ALA A 102 3.098 -2.836 9.656 1.00 0.00 N ATOM 1549 CA ALA A 102 2.443 -2.965 10.957 1.00 0.00 C ATOM 1550 C ALA A 102 1.111 -2.216 10.977 1.00 0.00 C ATOM 1551 O ALA A 102 0.130 -2.664 11.582 1.00 0.00 O ATOM 1552 CB ALA A 102 3.358 -2.452 12.058 1.00 0.00 C ATOM 0 H ALA A 102 3.966 -2.300 9.675 1.00 0.00 H new ATOM 0 HA ALA A 102 2.238 -4.021 11.133 1.00 0.00 H new ATOM 0 HB1 ALA A 102 2.859 -2.553 13.022 1.00 0.00 H new ATOM 0 HB2 ALA A 102 4.281 -3.032 12.064 1.00 0.00 H new ATOM 0 HB3 ALA A 102 3.591 -1.402 11.878 1.00 0.00 H new ATOM 1558 N TRP A 103 1.085 -1.079 10.300 1.00 0.00 N ATOM 1559 CA TRP A 103 -0.117 -0.264 10.198 1.00 0.00 C ATOM 1560 C TRP A 103 -1.261 -1.079 9.596 1.00 0.00 C ATOM 1561 O TRP A 103 -2.407 -0.999 10.049 1.00 0.00 O ATOM 1562 CB TRP A 103 0.178 0.972 9.342 1.00 0.00 C ATOM 1563 CG TRP A 103 -0.945 1.964 9.260 1.00 0.00 C ATOM 1564 CD1 TRP A 103 -1.281 2.905 10.191 1.00 0.00 C ATOM 1565 CD2 TRP A 103 -1.858 2.135 8.170 1.00 0.00 C ATOM 1566 NE1 TRP A 103 -2.352 3.645 9.748 1.00 0.00 N ATOM 1567 CE2 TRP A 103 -2.723 3.193 8.510 1.00 0.00 C ATOM 1568 CE3 TRP A 103 -2.030 1.493 6.937 1.00 0.00 C ATOM 1569 CZ2 TRP A 103 -3.736 3.625 7.661 1.00 0.00 C ATOM 1570 CZ3 TRP A 103 -3.038 1.925 6.098 1.00 0.00 C ATOM 1571 CH2 TRP A 103 -3.880 2.981 6.462 1.00 0.00 C ATOM 0 H TRP A 103 1.892 -0.696 9.808 1.00 0.00 H new ATOM 0 HA TRP A 103 -0.421 0.059 11.194 1.00 0.00 H new ATOM 0 HB2 TRP A 103 1.058 1.473 9.744 1.00 0.00 H new ATOM 0 HB3 TRP A 103 0.430 0.646 8.333 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -0.779 3.047 11.137 1.00 0.00 H new ATOM 0 HE1 TRP A 103 -2.798 4.407 10.259 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -1.386 0.675 6.648 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 -4.387 4.441 7.938 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -3.179 1.439 5.144 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -4.659 3.294 5.783 1.00 0.00 H new ATOM 1582 N ILE A 104 -0.950 -1.893 8.594 1.00 0.00 N ATOM 1583 CA ILE A 104 -1.978 -2.683 7.945 1.00 0.00 C ATOM 1584 C ILE A 104 -2.096 -4.077 8.572 1.00 0.00 C ATOM 1585 O ILE A 104 -3.135 -4.716 8.462 1.00 0.00 O ATOM 1586 CB ILE A 104 -1.765 -2.783 6.413 1.00 0.00 C ATOM 1587 CG1 ILE A 104 -3.119 -2.815 5.699 1.00 0.00 C ATOM 1588 CG2 ILE A 104 -0.955 -4.017 6.043 1.00 0.00 C ATOM 1589 CD1 ILE A 104 -3.974 -1.592 5.970 1.00 0.00 C ATOM 0 H ILE A 104 -0.009 -2.020 8.221 1.00 0.00 H new ATOM 0 HA ILE A 104 -2.920 -2.158 8.106 1.00 0.00 H new ATOM 0 HB ILE A 104 -1.204 -1.904 6.094 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -2.953 -2.902 4.625 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -3.664 -3.706 6.010 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -0.825 -4.056 4.962 1.00 0.00 H new ATOM 0 HG22 ILE A 104 0.022 -3.969 6.525 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -1.481 -4.911 6.377 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -4.918 -1.682 5.433 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -4.171 -1.515 7.039 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -3.448 -0.699 5.633 1.00 0.00 H new ATOM 1601 N SER A 105 -1.062 -4.548 9.257 1.00 0.00 N ATOM 1602 CA SER A 105 -1.167 -5.822 9.957 1.00 0.00 C ATOM 1603 C SER A 105 -2.167 -5.686 11.101 1.00 0.00 C ATOM 1604 O SER A 105 -2.699 -6.672 11.606 1.00 0.00 O ATOM 1605 CB SER A 105 0.196 -6.289 10.478 1.00 0.00 C ATOM 1606 OG SER A 105 0.723 -5.382 11.426 1.00 0.00 O ATOM 0 H SER A 105 -0.160 -4.080 9.343 1.00 0.00 H new ATOM 0 HA SER A 105 -1.519 -6.579 9.256 1.00 0.00 H new ATOM 0 HB2 SER A 105 0.096 -7.275 10.932 1.00 0.00 H new ATOM 0 HB3 SER A 105 0.891 -6.391 9.644 1.00 0.00 H new ATOM 0 HG SER A 105 0.241 -4.531 11.367 1.00 0.00 H new ATOM 1612 N ASN A 106 -2.412 -4.444 11.501 1.00 0.00 N ATOM 1613 CA ASN A 106 -3.457 -4.140 12.466 1.00 0.00 C ATOM 1614 C ASN A 106 -4.821 -4.021 11.783 1.00 0.00 C ATOM 1615 O ASN A 106 -5.799 -4.614 12.233 1.00 0.00 O ATOM 1616 CB ASN A 106 -3.129 -2.850 13.223 1.00 0.00 C ATOM 1617 CG ASN A 106 -2.187 -3.083 14.389 1.00 0.00 C ATOM 1618 OD1 ASN A 106 -2.625 -3.333 15.511 1.00 0.00 O ATOM 1619 ND2 ASN A 106 -0.891 -3.003 14.135 1.00 0.00 N ATOM 0 H ASN A 106 -1.897 -3.628 11.169 1.00 0.00 H new ATOM 0 HA ASN A 106 -3.505 -4.963 13.179 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -2.680 -2.133 12.535 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -4.053 -2.403 13.590 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -0.214 -3.151 14.884 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -0.568 -2.793 13.190 1.00 0.00 H new ATOM 1626 N HIS A 107 -4.886 -3.253 10.694 1.00 0.00 N ATOM 1627 CA HIS A 107 -6.154 -3.034 9.985 1.00 0.00 C ATOM 1628 C HIS A 107 -6.575 -4.265 9.181 1.00 0.00 C ATOM 1629 O HIS A 107 -7.707 -4.726 9.297 1.00 0.00 O ATOM 1630 CB HIS A 107 -6.065 -1.806 9.065 1.00 0.00 C ATOM 1631 CG HIS A 107 -7.289 -1.584 8.218 1.00 0.00 C ATOM 1632 ND1 HIS A 107 -8.535 -1.324 8.744 1.00 0.00 N ATOM 1633 CD2 HIS A 107 -7.451 -1.599 6.873 1.00 0.00 C ATOM 1634 CE1 HIS A 107 -9.407 -1.186 7.762 1.00 0.00 C ATOM 1635 NE2 HIS A 107 -8.775 -1.346 6.618 1.00 0.00 N ATOM 0 H HIS A 107 -4.084 -2.774 10.284 1.00 0.00 H new ATOM 0 HA HIS A 107 -6.916 -2.851 10.742 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -5.893 -0.920 9.675 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -5.199 -1.916 8.412 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -6.680 -1.777 6.138 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -10.460 -0.977 7.878 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -9.201 -1.291 5.693 1.00 0.00 H new ATOM 1644 N ALA A 108 -5.671 -4.775 8.353 1.00 0.00 N ATOM 1645 CA ALA A 108 -5.942 -5.967 7.560 1.00 0.00 C ATOM 1646 C ALA A 108 -5.966 -7.190 8.463 1.00 0.00 C ATOM 1647 O ALA A 108 -6.805 -8.077 8.313 1.00 0.00 O ATOM 1648 CB ALA A 108 -4.902 -6.137 6.460 1.00 0.00 C ATOM 0 H ALA A 108 -4.741 -4.380 8.213 1.00 0.00 H new ATOM 0 HA ALA A 108 -6.916 -5.855 7.085 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -5.127 -7.034 5.882 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -4.922 -5.268 5.803 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -3.912 -6.232 6.907 1.00 0.00 H new ATOM 1654 N GLY A 109 -5.027 -7.227 9.396 1.00 0.00 N ATOM 1655 CA GLY A 109 -5.009 -8.283 10.392 1.00 0.00 C ATOM 1656 C GLY A 109 -4.064 -9.410 10.033 1.00 0.00 C ATOM 1657 O GLY A 109 -3.606 -10.150 10.906 1.00 0.00 O ATOM 0 H GLY A 109 -4.275 -6.544 9.483 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -4.718 -7.863 11.355 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -6.016 -8.683 10.510 1.00 0.00 H new ATOM 1661 N VAL A 110 -3.770 -9.542 8.755 1.00 0.00 N ATOM 1662 CA VAL A 110 -2.882 -10.591 8.284 1.00 0.00 C ATOM 1663 C VAL A 110 -1.464 -10.057 8.107 1.00 0.00 C ATOM 1664 O VAL A 110 -1.262 -8.847 7.972 1.00 0.00 O ATOM 1665 CB VAL A 110 -3.378 -11.198 6.950 1.00 0.00 C ATOM 1666 CG1 VAL A 110 -4.717 -11.893 7.142 1.00 0.00 C ATOM 1667 CG2 VAL A 110 -3.489 -10.127 5.875 1.00 0.00 C ATOM 0 H VAL A 110 -4.133 -8.935 8.020 1.00 0.00 H new ATOM 0 HA VAL A 110 -2.879 -11.376 9.040 1.00 0.00 H new ATOM 0 HB VAL A 110 -2.646 -11.937 6.624 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -5.048 -12.313 6.192 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -4.610 -12.693 7.875 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -5.454 -11.172 7.497 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -3.839 -10.578 4.947 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -4.195 -9.361 6.196 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -2.512 -9.673 5.711 1.00 0.00 H new ATOM 1677 N PRO A 111 -0.461 -10.946 8.143 1.00 0.00 N ATOM 1678 CA PRO A 111 0.927 -10.571 7.896 1.00 0.00 C ATOM 1679 C PRO A 111 1.156 -10.211 6.431 1.00 0.00 C ATOM 1680 O PRO A 111 1.392 -11.082 5.592 1.00 0.00 O ATOM 1681 CB PRO A 111 1.732 -11.826 8.276 1.00 0.00 C ATOM 1682 CG PRO A 111 0.764 -12.734 8.965 1.00 0.00 C ATOM 1683 CD PRO A 111 -0.594 -12.378 8.436 1.00 0.00 C ATOM 0 HA PRO A 111 1.220 -9.691 8.468 1.00 0.00 H new ATOM 0 HB2 PRO A 111 2.155 -12.303 7.392 1.00 0.00 H new ATOM 0 HB3 PRO A 111 2.566 -11.573 8.931 1.00 0.00 H new ATOM 0 HG2 PRO A 111 0.999 -13.779 8.762 1.00 0.00 H new ATOM 0 HG3 PRO A 111 0.808 -12.601 10.046 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -0.844 -12.952 7.544 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -1.377 -12.570 9.169 1.00 0.00 H new ATOM 1691 N CYS A 112 1.037 -8.931 6.123 1.00 0.00 N ATOM 1692 CA CYS A 112 1.216 -8.463 4.763 1.00 0.00 C ATOM 1693 C CYS A 112 2.100 -7.219 4.724 1.00 0.00 C ATOM 1694 O CYS A 112 2.221 -6.494 5.713 1.00 0.00 O ATOM 1695 CB CYS A 112 -0.145 -8.198 4.115 1.00 0.00 C ATOM 1696 SG CYS A 112 -1.289 -7.256 5.146 1.00 0.00 S ATOM 0 H CYS A 112 0.817 -8.198 6.798 1.00 0.00 H new ATOM 0 HA CYS A 112 1.723 -9.240 4.191 1.00 0.00 H new ATOM 0 HB2 CYS A 112 0.010 -7.660 3.180 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -0.605 -9.153 3.861 1.00 0.00 H new ATOM 0 HG CYS A 112 -1.382 -7.817 6.315 1.00 0.00 H new ATOM 1702 N ARG A 113 2.717 -6.994 3.576 1.00 0.00 N ATOM 1703 CA ARG A 113 3.672 -5.912 3.395 1.00 0.00 C ATOM 1704 C ARG A 113 3.164 -4.932 2.338 1.00 0.00 C ATOM 1705 O ARG A 113 2.789 -5.344 1.240 1.00 0.00 O ATOM 1706 CB ARG A 113 5.009 -6.512 2.951 1.00 0.00 C ATOM 1707 CG ARG A 113 6.152 -5.516 2.852 1.00 0.00 C ATOM 1708 CD ARG A 113 6.660 -5.102 4.220 1.00 0.00 C ATOM 1709 NE ARG A 113 7.116 -6.247 5.012 1.00 0.00 N ATOM 1710 CZ ARG A 113 8.114 -6.195 5.894 1.00 0.00 C ATOM 1711 NH1 ARG A 113 8.847 -5.094 6.018 1.00 0.00 N ATOM 1712 NH2 ARG A 113 8.409 -7.267 6.618 1.00 0.00 N ATOM 0 H ARG A 113 2.569 -7.559 2.740 1.00 0.00 H new ATOM 0 HA ARG A 113 3.799 -5.371 4.333 1.00 0.00 H new ATOM 0 HB2 ARG A 113 5.290 -7.297 3.653 1.00 0.00 H new ATOM 0 HB3 ARG A 113 4.874 -6.986 1.979 1.00 0.00 H new ATOM 0 HG2 ARG A 113 6.968 -5.956 2.279 1.00 0.00 H new ATOM 0 HG3 ARG A 113 5.819 -4.634 2.306 1.00 0.00 H new ATOM 0 HD2 ARG A 113 7.481 -4.394 4.102 1.00 0.00 H new ATOM 0 HD3 ARG A 113 5.867 -4.583 4.758 1.00 0.00 H new ATOM 0 HE ARG A 113 6.640 -7.140 4.880 1.00 0.00 H new ATOM 0 HH11 ARG A 113 8.648 -4.280 5.436 1.00 0.00 H new ATOM 0 HH12 ARG A 113 9.609 -5.062 6.695 1.00 0.00 H new ATOM 0 HH21 ARG A 113 7.873 -8.126 6.498 1.00 0.00 H new ATOM 0 HH22 ARG A 113 9.172 -7.232 7.294 1.00 0.00 H new ATOM 1726 N ILE A 114 3.139 -3.646 2.671 1.00 0.00 N ATOM 1727 CA ILE A 114 2.750 -2.620 1.708 1.00 0.00 C ATOM 1728 C ILE A 114 3.925 -2.326 0.781 1.00 0.00 C ATOM 1729 O ILE A 114 4.983 -1.887 1.229 1.00 0.00 O ATOM 1730 CB ILE A 114 2.286 -1.319 2.403 1.00 0.00 C ATOM 1731 CG1 ILE A 114 1.084 -1.606 3.310 1.00 0.00 C ATOM 1732 CG2 ILE A 114 1.936 -0.253 1.367 1.00 0.00 C ATOM 1733 CD1 ILE A 114 0.530 -0.377 3.998 1.00 0.00 C ATOM 0 H ILE A 114 3.382 -3.290 3.595 1.00 0.00 H new ATOM 0 HA ILE A 114 1.905 -3.000 1.133 1.00 0.00 H new ATOM 0 HB ILE A 114 3.103 -0.940 3.017 1.00 0.00 H new ATOM 0 HG12 ILE A 114 0.294 -2.065 2.716 1.00 0.00 H new ATOM 0 HG13 ILE A 114 1.377 -2.333 4.067 1.00 0.00 H new ATOM 0 HG21 ILE A 114 1.612 0.655 1.875 1.00 0.00 H new ATOM 0 HG22 ILE A 114 2.814 -0.035 0.759 1.00 0.00 H new ATOM 0 HG23 ILE A 114 1.132 -0.618 0.727 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -0.318 -0.660 4.622 1.00 0.00 H new ATOM 0 HD12 ILE A 114 1.304 0.072 4.620 1.00 0.00 H new ATOM 0 HD13 ILE A 114 0.204 0.344 3.248 1.00 0.00 H new ATOM 1745 N LEU A 115 3.737 -2.572 -0.504 1.00 0.00 N ATOM 1746 CA LEU A 115 4.845 -2.562 -1.443 1.00 0.00 C ATOM 1747 C LEU A 115 4.545 -1.713 -2.674 1.00 0.00 C ATOM 1748 O LEU A 115 3.420 -1.690 -3.177 1.00 0.00 O ATOM 1749 CB LEU A 115 5.156 -3.996 -1.870 1.00 0.00 C ATOM 1750 CG LEU A 115 5.593 -4.926 -0.736 1.00 0.00 C ATOM 1751 CD1 LEU A 115 5.392 -6.379 -1.124 1.00 0.00 C ATOM 1752 CD2 LEU A 115 7.047 -4.679 -0.382 1.00 0.00 C ATOM 0 H LEU A 115 2.830 -2.781 -0.920 1.00 0.00 H new ATOM 0 HA LEU A 115 5.706 -2.120 -0.942 1.00 0.00 H new ATOM 0 HB2 LEU A 115 4.271 -4.418 -2.346 1.00 0.00 H new ATOM 0 HB3 LEU A 115 5.942 -3.972 -2.624 1.00 0.00 H new ATOM 0 HG LEU A 115 4.975 -4.712 0.136 1.00 0.00 H new ATOM 0 HD11 LEU A 115 5.709 -7.022 -0.303 1.00 0.00 H new ATOM 0 HD12 LEU A 115 4.338 -6.556 -1.337 1.00 0.00 H new ATOM 0 HD13 LEU A 115 5.984 -6.604 -2.011 1.00 0.00 H new ATOM 0 HD21 LEU A 115 7.343 -5.348 0.426 1.00 0.00 H new ATOM 0 HD22 LEU A 115 7.671 -4.867 -1.256 1.00 0.00 H new ATOM 0 HD23 LEU A 115 7.173 -3.645 -0.062 1.00 0.00 H new ATOM 1764 N LYS A 116 5.565 -1.016 -3.142 1.00 0.00 N ATOM 1765 CA LYS A 116 5.485 -0.236 -4.366 1.00 0.00 C ATOM 1766 C LYS A 116 6.470 -0.801 -5.387 1.00 0.00 C ATOM 1767 O LYS A 116 7.681 -0.820 -5.155 1.00 0.00 O ATOM 1768 CB LYS A 116 5.770 1.241 -4.059 1.00 0.00 C ATOM 1769 CG LYS A 116 5.703 2.171 -5.262 1.00 0.00 C ATOM 1770 CD LYS A 116 7.082 2.459 -5.845 1.00 0.00 C ATOM 1771 CE LYS A 116 7.825 3.561 -5.086 1.00 0.00 C ATOM 1772 NZ LYS A 116 8.216 3.166 -3.703 1.00 0.00 N ATOM 0 H LYS A 116 6.475 -0.974 -2.683 1.00 0.00 H new ATOM 0 HA LYS A 116 4.482 -0.299 -4.789 1.00 0.00 H new ATOM 0 HB2 LYS A 116 5.056 1.586 -3.312 1.00 0.00 H new ATOM 0 HB3 LYS A 116 6.761 1.319 -3.613 1.00 0.00 H new ATOM 0 HG2 LYS A 116 5.072 1.724 -6.030 1.00 0.00 H new ATOM 0 HG3 LYS A 116 5.232 3.109 -4.968 1.00 0.00 H new ATOM 0 HD2 LYS A 116 7.677 1.546 -5.827 1.00 0.00 H new ATOM 0 HD3 LYS A 116 6.977 2.751 -6.890 1.00 0.00 H new ATOM 0 HE2 LYS A 116 8.720 3.837 -5.644 1.00 0.00 H new ATOM 0 HE3 LYS A 116 7.194 4.448 -5.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 9.154 3.558 -3.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 7.518 3.535 -3.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 8.249 2.129 -3.635 1.00 0.00 H new ATOM 1786 N VAL A 117 5.938 -1.285 -6.502 1.00 0.00 N ATOM 1787 CA VAL A 117 6.743 -1.966 -7.514 1.00 0.00 C ATOM 1788 C VAL A 117 7.806 -1.038 -8.103 1.00 0.00 C ATOM 1789 O VAL A 117 7.539 0.130 -8.383 1.00 0.00 O ATOM 1790 CB VAL A 117 5.855 -2.517 -8.655 1.00 0.00 C ATOM 1791 CG1 VAL A 117 6.673 -3.341 -9.642 1.00 0.00 C ATOM 1792 CG2 VAL A 117 4.709 -3.340 -8.091 1.00 0.00 C ATOM 0 H VAL A 117 4.946 -1.219 -6.731 1.00 0.00 H new ATOM 0 HA VAL A 117 7.241 -2.797 -7.015 1.00 0.00 H new ATOM 0 HB VAL A 117 5.438 -1.667 -9.195 1.00 0.00 H new ATOM 0 HG11 VAL A 117 6.021 -3.714 -10.432 1.00 0.00 H new ATOM 0 HG12 VAL A 117 7.452 -2.717 -10.079 1.00 0.00 H new ATOM 0 HG13 VAL A 117 7.131 -4.182 -9.122 1.00 0.00 H new ATOM 0 HG21 VAL A 117 4.096 -3.719 -8.909 1.00 0.00 H new ATOM 0 HG22 VAL A 117 5.109 -4.178 -7.520 1.00 0.00 H new ATOM 0 HG23 VAL A 117 4.098 -2.715 -7.439 1.00 0.00 H new ATOM 1802 N HIS A 118 9.015 -1.565 -8.282 1.00 0.00 N ATOM 1803 CA HIS A 118 10.107 -0.795 -8.864 1.00 0.00 C ATOM 1804 C HIS A 118 9.965 -0.788 -10.388 1.00 0.00 C ATOM 1805 O HIS A 118 9.869 -1.849 -11.010 1.00 0.00 O ATOM 1806 CB HIS A 118 11.457 -1.388 -8.444 1.00 0.00 C ATOM 1807 CG HIS A 118 12.521 -0.361 -8.190 1.00 0.00 C ATOM 1808 ND1 HIS A 118 13.705 -0.306 -8.887 1.00 0.00 N ATOM 1809 CD2 HIS A 118 12.585 0.638 -7.276 1.00 0.00 C ATOM 1810 CE1 HIS A 118 14.447 0.676 -8.420 1.00 0.00 C ATOM 1811 NE2 HIS A 118 13.793 1.265 -7.440 1.00 0.00 N ATOM 0 H HIS A 118 9.261 -2.523 -8.032 1.00 0.00 H new ATOM 0 HA HIS A 118 10.064 0.232 -8.500 1.00 0.00 H new ATOM 0 HB2 HIS A 118 11.316 -1.982 -7.541 1.00 0.00 H new ATOM 0 HB3 HIS A 118 11.802 -2.069 -9.223 1.00 0.00 H new ATOM 0 HD1 HIS A 118 13.968 -0.931 -9.649 1.00 0.00 H new ATOM 0 HD2 HIS A 118 11.825 0.893 -6.552 1.00 0.00 H new ATOM 0 HE1 HIS A 118 15.427 0.952 -8.780 1.00 0.00 H new ATOM 1820 N PRO A 119 9.945 0.408 -10.997 1.00 0.00 N ATOM 1821 CA PRO A 119 9.633 0.585 -12.428 1.00 0.00 C ATOM 1822 C PRO A 119 10.628 -0.072 -13.391 1.00 0.00 C ATOM 1823 O PRO A 119 10.416 -0.041 -14.604 1.00 0.00 O ATOM 1824 CB PRO A 119 9.637 2.106 -12.616 1.00 0.00 C ATOM 1825 CG PRO A 119 10.429 2.643 -11.473 1.00 0.00 C ATOM 1826 CD PRO A 119 10.200 1.699 -10.329 1.00 0.00 C ATOM 0 HA PRO A 119 8.687 0.099 -12.668 1.00 0.00 H new ATOM 0 HB2 PRO A 119 10.086 2.383 -13.570 1.00 0.00 H new ATOM 0 HB3 PRO A 119 8.623 2.505 -12.613 1.00 0.00 H new ATOM 0 HG2 PRO A 119 11.488 2.700 -11.725 1.00 0.00 H new ATOM 0 HG3 PRO A 119 10.108 3.652 -11.216 1.00 0.00 H new ATOM 0 HD2 PRO A 119 11.068 1.647 -9.671 1.00 0.00 H new ATOM 0 HD3 PRO A 119 9.354 2.008 -9.716 1.00 0.00 H new ATOM 1834 N ASP A 120 11.709 -0.650 -12.863 1.00 0.00 N ATOM 1835 CA ASP A 120 12.667 -1.394 -13.691 1.00 0.00 C ATOM 1836 C ASP A 120 11.951 -2.419 -14.555 1.00 0.00 C ATOM 1837 O ASP A 120 12.057 -2.409 -15.779 1.00 0.00 O ATOM 1838 CB ASP A 120 13.697 -2.143 -12.840 1.00 0.00 C ATOM 1839 CG ASP A 120 14.717 -1.252 -12.177 1.00 0.00 C ATOM 1840 OD1 ASP A 120 15.444 -0.528 -12.884 1.00 0.00 O ATOM 1841 OD2 ASP A 120 14.815 -1.299 -10.937 1.00 0.00 O ATOM 0 H ASP A 120 11.944 -0.619 -11.871 1.00 0.00 H new ATOM 0 HA ASP A 120 13.174 -0.655 -14.311 1.00 0.00 H new ATOM 0 HB2 ASP A 120 13.173 -2.711 -12.071 1.00 0.00 H new ATOM 0 HB3 ASP A 120 14.217 -2.865 -13.470 1.00 0.00 H new ATOM 1846 N MET A 121 11.219 -3.300 -13.896 1.00 0.00 N ATOM 1847 CA MET A 121 10.547 -4.393 -14.577 1.00 0.00 C ATOM 1848 C MET A 121 9.041 -4.157 -14.640 1.00 0.00 C ATOM 1849 O MET A 121 8.463 -4.136 -15.726 1.00 0.00 O ATOM 1850 CB MET A 121 10.877 -5.729 -13.891 1.00 0.00 C ATOM 1851 CG MET A 121 10.629 -5.741 -12.389 1.00 0.00 C ATOM 1852 SD MET A 121 11.243 -7.233 -11.586 1.00 0.00 S ATOM 1853 CE MET A 121 13.003 -7.090 -11.901 1.00 0.00 C ATOM 0 H MET A 121 11.074 -3.280 -12.886 1.00 0.00 H new ATOM 0 HA MET A 121 10.911 -4.438 -15.603 1.00 0.00 H new ATOM 0 HB2 MET A 121 10.282 -6.517 -14.352 1.00 0.00 H new ATOM 0 HB3 MET A 121 11.924 -5.970 -14.076 1.00 0.00 H new ATOM 0 HG2 MET A 121 11.107 -4.870 -11.940 1.00 0.00 H new ATOM 0 HG3 MET A 121 9.559 -5.648 -12.202 1.00 0.00 H new ATOM 0 HE1 MET A 121 13.556 -7.334 -10.994 1.00 0.00 H new ATOM 0 HE2 MET A 121 13.287 -7.779 -12.696 1.00 0.00 H new ATOM 0 HE3 MET A 121 13.237 -6.069 -12.205 1.00 0.00 H new ATOM 1863 N ALA A 122 8.432 -3.921 -13.478 1.00 0.00 N ATOM 1864 CA ALA A 122 6.981 -3.784 -13.360 1.00 0.00 C ATOM 1865 C ALA A 122 6.268 -5.006 -13.945 1.00 0.00 C ATOM 1866 O ALA A 122 6.305 -6.077 -13.340 1.00 0.00 O ATOM 1867 CB ALA A 122 6.498 -2.487 -14.002 1.00 0.00 C ATOM 0 H ALA A 122 8.930 -3.820 -12.594 1.00 0.00 H new ATOM 0 HA ALA A 122 6.729 -3.734 -12.301 1.00 0.00 H new ATOM 0 HB1 ALA A 122 5.415 -2.411 -13.900 1.00 0.00 H new ATOM 0 HB2 ALA A 122 6.970 -1.638 -13.507 1.00 0.00 H new ATOM 0 HB3 ALA A 122 6.763 -2.483 -15.059 1.00 0.00 H new ATOM 1873 N GLU A 123 5.644 -4.839 -15.120 1.00 0.00 N ATOM 1874 CA GLU A 123 4.949 -5.921 -15.841 1.00 0.00 C ATOM 1875 C GLU A 123 3.706 -6.432 -15.110 1.00 0.00 C ATOM 1876 O GLU A 123 2.603 -6.389 -15.650 1.00 0.00 O ATOM 1877 CB GLU A 123 5.874 -7.111 -16.113 1.00 0.00 C ATOM 1878 CG GLU A 123 7.035 -6.812 -17.044 1.00 0.00 C ATOM 1879 CD GLU A 123 7.677 -8.075 -17.575 1.00 0.00 C ATOM 1880 OE1 GLU A 123 8.096 -8.924 -16.759 1.00 0.00 O ATOM 1881 OE2 GLU A 123 7.738 -8.239 -18.812 1.00 0.00 O ATOM 0 H GLU A 123 5.606 -3.941 -15.603 1.00 0.00 H new ATOM 0 HA GLU A 123 4.635 -5.471 -16.783 1.00 0.00 H new ATOM 0 HB2 GLU A 123 6.271 -7.470 -15.163 1.00 0.00 H new ATOM 0 HB3 GLU A 123 5.284 -7.922 -16.539 1.00 0.00 H new ATOM 0 HG2 GLU A 123 6.683 -6.206 -17.879 1.00 0.00 H new ATOM 0 HG3 GLU A 123 7.782 -6.221 -16.514 1.00 0.00 H new ATOM 1888 N VAL A 124 3.906 -6.919 -13.892 1.00 0.00 N ATOM 1889 CA VAL A 124 2.885 -7.656 -13.159 1.00 0.00 C ATOM 1890 C VAL A 124 1.579 -6.879 -13.037 1.00 0.00 C ATOM 1891 O VAL A 124 1.542 -5.764 -12.514 1.00 0.00 O ATOM 1892 CB VAL A 124 3.364 -8.037 -11.750 1.00 0.00 C ATOM 1893 CG1 VAL A 124 2.488 -9.132 -11.170 1.00 0.00 C ATOM 1894 CG2 VAL A 124 4.818 -8.463 -11.770 1.00 0.00 C ATOM 0 H VAL A 124 4.784 -6.814 -13.383 1.00 0.00 H new ATOM 0 HA VAL A 124 2.701 -8.559 -13.741 1.00 0.00 H new ATOM 0 HB VAL A 124 3.282 -7.158 -11.111 1.00 0.00 H new ATOM 0 HG11 VAL A 124 2.841 -9.390 -10.172 1.00 0.00 H new ATOM 0 HG12 VAL A 124 1.458 -8.781 -11.111 1.00 0.00 H new ATOM 0 HG13 VAL A 124 2.535 -10.013 -11.810 1.00 0.00 H new ATOM 0 HG21 VAL A 124 5.133 -8.728 -10.761 1.00 0.00 H new ATOM 0 HG22 VAL A 124 4.935 -9.326 -12.425 1.00 0.00 H new ATOM 0 HG23 VAL A 124 5.433 -7.642 -12.139 1.00 0.00 H new ATOM 1904 N ARG A 125 0.515 -7.492 -13.523 1.00 0.00 N ATOM 1905 CA ARG A 125 -0.822 -6.916 -13.436 1.00 0.00 C ATOM 1906 C ARG A 125 -1.668 -7.762 -12.497 1.00 0.00 C ATOM 1907 O ARG A 125 -2.864 -7.940 -12.737 1.00 0.00 O ATOM 1908 CB ARG A 125 -1.496 -6.909 -14.811 1.00 0.00 C ATOM 1909 CG ARG A 125 -0.583 -6.554 -15.973 1.00 0.00 C ATOM 1910 CD ARG A 125 -1.287 -6.790 -17.299 1.00 0.00 C ATOM 1911 NE ARG A 125 -1.930 -8.107 -17.343 1.00 0.00 N ATOM 1912 CZ ARG A 125 -3.024 -8.384 -18.053 1.00 0.00 C ATOM 1913 NH1 ARG A 125 -3.531 -7.480 -18.882 1.00 0.00 N ATOM 1914 NH2 ARG A 125 -3.591 -9.579 -17.950 1.00 0.00 N ATOM 0 H ARG A 125 0.549 -8.399 -13.988 1.00 0.00 H new ATOM 0 HA ARG A 125 -0.736 -5.893 -13.069 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -1.925 -7.894 -14.994 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -2.324 -6.200 -14.789 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -0.279 -5.510 -15.898 1.00 0.00 H new ATOM 0 HG3 ARG A 125 0.325 -7.155 -15.925 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -2.036 -6.014 -17.457 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -0.567 -6.709 -18.113 1.00 0.00 H new ATOM 0 HE ARG A 125 -1.514 -8.860 -16.795 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -3.083 -6.568 -18.978 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -4.368 -7.697 -19.423 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -3.190 -10.282 -17.329 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -4.428 -9.795 -18.492 1.00 0.00 H new ATOM 1928 N TRP A 126 -1.035 -8.279 -11.434 1.00 0.00 N ATOM 1929 CA TRP A 126 -1.646 -9.289 -10.560 1.00 0.00 C ATOM 1930 C TRP A 126 -1.687 -10.621 -11.332 1.00 0.00 C ATOM 1931 O TRP A 126 -1.685 -10.593 -12.564 1.00 0.00 O ATOM 1932 CB TRP A 126 -3.056 -8.831 -10.114 1.00 0.00 C ATOM 1933 CG TRP A 126 -3.579 -9.519 -8.892 1.00 0.00 C ATOM 1934 CD1 TRP A 126 -3.241 -9.252 -7.599 1.00 0.00 C ATOM 1935 CD2 TRP A 126 -4.533 -10.587 -8.846 1.00 0.00 C ATOM 1936 NE1 TRP A 126 -3.911 -10.098 -6.751 1.00 0.00 N ATOM 1937 CE2 TRP A 126 -4.715 -10.925 -7.493 1.00 0.00 C ATOM 1938 CE3 TRP A 126 -5.246 -11.292 -9.819 1.00 0.00 C ATOM 1939 CZ2 TRP A 126 -5.579 -11.940 -7.092 1.00 0.00 C ATOM 1940 CZ3 TRP A 126 -6.103 -12.298 -9.419 1.00 0.00 C ATOM 1941 CH2 TRP A 126 -6.262 -12.613 -8.066 1.00 0.00 C ATOM 0 H TRP A 126 -0.091 -8.010 -11.158 1.00 0.00 H new ATOM 0 HA TRP A 126 -1.060 -9.422 -9.651 1.00 0.00 H new ATOM 0 HB2 TRP A 126 -3.033 -7.757 -9.928 1.00 0.00 H new ATOM 0 HB3 TRP A 126 -3.754 -8.997 -10.935 1.00 0.00 H new ATOM 0 HD1 TRP A 126 -2.547 -8.486 -7.287 1.00 0.00 H new ATOM 0 HE1 TRP A 126 -3.825 -10.110 -5.735 1.00 0.00 H new ATOM 0 HE3 TRP A 126 -5.129 -11.054 -10.866 1.00 0.00 H new ATOM 0 HZ2 TRP A 126 -5.705 -12.187 -6.048 1.00 0.00 H new ATOM 0 HZ3 TRP A 126 -6.659 -12.850 -10.162 1.00 0.00 H new ATOM 0 HH2 TRP A 126 -6.939 -13.406 -7.784 1.00 0.00 H new ATOM 1952 N PRO A 127 -1.659 -11.795 -10.637 1.00 0.00 N ATOM 1953 CA PRO A 127 -1.680 -13.127 -11.253 1.00 0.00 C ATOM 1954 C PRO A 127 -2.339 -13.176 -12.631 1.00 0.00 C ATOM 1955 O PRO A 127 -1.726 -13.623 -13.600 1.00 0.00 O ATOM 1956 CB PRO A 127 -2.487 -13.943 -10.240 1.00 0.00 C ATOM 1957 CG PRO A 127 -2.378 -13.207 -8.934 1.00 0.00 C ATOM 1958 CD PRO A 127 -1.581 -11.946 -9.185 1.00 0.00 C ATOM 0 HA PRO A 127 -0.671 -13.493 -11.445 1.00 0.00 H new ATOM 0 HB2 PRO A 127 -3.528 -14.033 -10.552 1.00 0.00 H new ATOM 0 HB3 PRO A 127 -2.092 -14.955 -10.152 1.00 0.00 H new ATOM 0 HG2 PRO A 127 -3.368 -12.964 -8.548 1.00 0.00 H new ATOM 0 HG3 PRO A 127 -1.887 -13.828 -8.184 1.00 0.00 H new ATOM 0 HD2 PRO A 127 -2.008 -11.088 -8.666 1.00 0.00 H new ATOM 0 HD3 PRO A 127 -0.551 -12.045 -8.844 1.00 0.00 H new