USER MOD reduce.3.24.130724 H: found=0, std=0, add=944, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 946 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 44 THR OG1 : rot 160:sc= -0.435 USER MOD Set 1.2: B 47 SER OG : rot -43:sc= 0.132! USER MOD Set 2.1: A 44 THR OG1 : rot 163:sc= -0.438 USER MOD Set 2.2: A 47 SER OG : rot -48:sc= 0.0961! USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 170:sc= -0.404 USER MOD Single : A 14 SER OG : rot -82:sc= 1.33 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 43:sc= 0.386 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -1.33 K(o=-1.3,f=-1.9) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 8:sc= -1.56 USER MOD Single : A 32 SER OG : rot 160:sc= 0.26 USER MOD Single : A 33 SER OG : rot -60:sc= -0.16 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 43 GLN : amide:sc= -4.03! K(o=-4!,f=-1.8) USER MOD Single : A 45 LYS NZ :NH3+ -166:sc= 0.411 (180deg=-0.271!) USER MOD Single : A 48 LYS NZ :NH3+ -110:sc= -2.7 (180deg=-5.45!) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -2.91! C(o=-2.9!,f=-3.2!) USER MOD Single : A 62 TYR OH : rot 180:sc= -0.464 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : B 5 SER OG : rot 180:sc= 0 USER MOD Single : B 9 THR OG1 : rot 167:sc= -0.433 USER MOD Single : B 14 SER OG : rot -81:sc= 1.23 USER MOD Single : B 15 TYR OH : rot 180:sc= 0 USER MOD Single : B 16 THR OG1 : rot 180:sc= 0.434! USER MOD Single : B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 ASN : amide:sc= -1.45 X(o=-1.4,f=-1.9) USER MOD Single : B 28 TYR OH : rot 180:sc= 0 USER MOD Single : B 29 TYR OH : rot 180:sc= 0 USER MOD Single : B 31 THR OG1 : rot 16:sc= -1.49 USER MOD Single : B 32 SER OG : rot 180:sc= 0.273 USER MOD Single : B 33 SER OG : rot 180:sc= -0.161 USER MOD Single : B 36 SER OG : rot 180:sc= 0 USER MOD Single : B 37 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : B 43 GLN : amide:sc= -4.13! K(o=-4.1!,f=-1.8) USER MOD Single : B 45 LYS NZ :NH3+ -163:sc= 0.375 (180deg=-0.461!) USER MOD Single : B 48 LYS NZ :NH3+ -106:sc= -2.89 (180deg=-5.47!) USER MOD Single : B 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 55 SER OG : rot 180:sc= 0 USER MOD Single : B 57 SER OG : rot 180:sc= 0 USER MOD Single : B 60 GLN : amide:sc= -2.81! C(o=-2.8!,f=-3.2!) USER MOD Single : B 62 TYR OH : rot 180:sc= -0.447 USER MOD Single : B 64 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 51 N SER A 5 -10.900 9.516 -3.731 1.00 0.00 N ATOM 52 CA SER A 5 -11.479 9.984 -2.436 1.00 0.00 C ATOM 53 C SER A 5 -10.514 9.648 -1.285 1.00 0.00 C ATOM 54 O SER A 5 -9.971 10.526 -0.644 1.00 0.00 O ATOM 55 CB SER A 5 -12.850 9.322 -2.219 1.00 0.00 C ATOM 56 OG SER A 5 -13.823 10.335 -1.998 1.00 0.00 O ATOM 0 HA SER A 5 -11.617 11.065 -2.461 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.121 8.723 -3.089 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.810 8.645 -1.366 1.00 0.00 H new ATOM 0 HG SER A 5 -14.701 9.921 -1.860 1.00 0.00 H new ATOM 62 N ASP A 6 -10.292 8.384 -1.023 1.00 0.00 N ATOM 63 CA ASP A 6 -9.355 8.001 0.083 1.00 0.00 C ATOM 64 C ASP A 6 -8.828 6.575 -0.156 1.00 0.00 C ATOM 65 O ASP A 6 -9.178 5.666 0.572 1.00 0.00 O ATOM 66 CB ASP A 6 -10.094 8.052 1.433 1.00 0.00 C ATOM 67 CG ASP A 6 -9.076 8.156 2.573 1.00 0.00 C ATOM 68 OD1 ASP A 6 -8.588 9.250 2.808 1.00 0.00 O ATOM 69 OD2 ASP A 6 -8.802 7.140 3.191 1.00 0.00 O ATOM 0 H ASP A 6 -10.716 7.603 -1.523 1.00 0.00 H new ATOM 0 HA ASP A 6 -8.519 8.700 0.101 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -10.770 8.907 1.457 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -10.705 7.158 1.558 1.00 0.00 H new ATOM 74 N PRO A 7 -8.005 6.408 -1.170 1.00 0.00 N ATOM 75 CA PRO A 7 -7.444 5.083 -1.495 1.00 0.00 C ATOM 76 C PRO A 7 -6.528 4.602 -0.347 1.00 0.00 C ATOM 77 O PRO A 7 -6.189 5.377 0.525 1.00 0.00 O ATOM 78 CB PRO A 7 -6.646 5.301 -2.804 1.00 0.00 C ATOM 79 CG PRO A 7 -6.743 6.813 -3.165 1.00 0.00 C ATOM 80 CD PRO A 7 -7.577 7.504 -2.064 1.00 0.00 C ATOM 0 HA PRO A 7 -8.210 4.317 -1.619 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -5.605 5.004 -2.673 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -7.053 4.688 -3.608 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -5.749 7.256 -3.227 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -7.212 6.944 -4.140 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -6.985 8.245 -1.526 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -8.435 8.027 -2.487 1.00 0.00 H new ATOM 88 N PRO A 8 -6.146 3.337 -0.381 1.00 0.00 N ATOM 89 CA PRO A 8 -5.265 2.764 0.659 1.00 0.00 C ATOM 90 C PRO A 8 -3.899 3.470 0.639 1.00 0.00 C ATOM 91 O PRO A 8 -3.765 4.573 0.145 1.00 0.00 O ATOM 92 CB PRO A 8 -5.129 1.269 0.281 1.00 0.00 C ATOM 93 CG PRO A 8 -5.816 1.074 -1.101 1.00 0.00 C ATOM 94 CD PRO A 8 -6.558 2.387 -1.437 1.00 0.00 C ATOM 0 HA PRO A 8 -5.664 2.889 1.666 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -4.079 0.980 0.232 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -5.599 0.638 1.036 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -5.077 0.844 -1.868 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.513 0.237 -1.068 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -6.285 2.753 -2.427 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -7.638 2.241 -1.438 1.00 0.00 H new ATOM 102 N THR A 9 -2.886 2.837 1.172 1.00 0.00 N ATOM 103 CA THR A 9 -1.529 3.460 1.185 1.00 0.00 C ATOM 104 C THR A 9 -0.466 2.364 1.226 1.00 0.00 C ATOM 105 O THR A 9 -0.483 1.494 2.074 1.00 0.00 O ATOM 106 CB THR A 9 -1.390 4.351 2.421 1.00 0.00 C ATOM 107 OG1 THR A 9 -2.541 5.174 2.540 1.00 0.00 O ATOM 108 CG2 THR A 9 -0.142 5.228 2.290 1.00 0.00 C ATOM 0 H THR A 9 -2.941 1.913 1.600 1.00 0.00 H new ATOM 0 HA THR A 9 -1.396 4.061 0.286 1.00 0.00 H new ATOM 0 HB THR A 9 -1.295 3.726 3.309 1.00 0.00 H new ATOM 0 HG1 THR A 9 -2.531 5.627 3.409 1.00 0.00 H new ATOM 0 HG21 THR A 9 -0.048 5.861 3.173 1.00 0.00 H new ATOM 0 HG22 THR A 9 0.740 4.594 2.202 1.00 0.00 H new ATOM 0 HG23 THR A 9 -0.229 5.854 1.402 1.00 0.00 H new ATOM 116 N ALA A 10 0.459 2.401 0.308 1.00 0.00 N ATOM 117 CA ALA A 10 1.529 1.366 0.277 1.00 0.00 C ATOM 118 C ALA A 10 2.458 1.537 1.479 1.00 0.00 C ATOM 119 O ALA A 10 3.507 2.143 1.380 1.00 0.00 O ATOM 120 CB ALA A 10 2.334 1.522 -1.011 1.00 0.00 C ATOM 0 H ALA A 10 0.520 3.107 -0.426 1.00 0.00 H new ATOM 0 HA ALA A 10 1.075 0.376 0.317 1.00 0.00 H new ATOM 0 HB1 ALA A 10 3.120 0.768 -1.042 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.675 1.395 -1.870 1.00 0.00 H new ATOM 0 HB3 ALA A 10 2.782 2.515 -1.042 1.00 0.00 H new ATOM 126 N CYS A 11 2.087 0.993 2.610 1.00 0.00 N ATOM 127 CA CYS A 11 2.945 1.100 3.832 1.00 0.00 C ATOM 128 C CYS A 11 3.544 -0.276 4.128 1.00 0.00 C ATOM 129 O CYS A 11 2.867 -1.283 4.065 1.00 0.00 O ATOM 130 CB CYS A 11 2.089 1.556 5.016 1.00 0.00 C ATOM 131 SG CYS A 11 1.123 3.012 4.536 1.00 0.00 S ATOM 0 H CYS A 11 1.219 0.474 2.742 1.00 0.00 H new ATOM 0 HA CYS A 11 3.743 1.825 3.670 1.00 0.00 H new ATOM 0 HB2 CYS A 11 1.423 0.751 5.329 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.725 1.793 5.869 1.00 0.00 H new ATOM 136 N CYS A 12 4.812 -0.334 4.434 1.00 0.00 N ATOM 137 CA CYS A 12 5.446 -1.651 4.718 1.00 0.00 C ATOM 138 C CYS A 12 4.972 -2.177 6.073 1.00 0.00 C ATOM 139 O CYS A 12 4.800 -1.430 7.016 1.00 0.00 O ATOM 140 CB CYS A 12 6.971 -1.498 4.738 1.00 0.00 C ATOM 141 SG CYS A 12 7.548 -0.961 3.108 1.00 0.00 S ATOM 0 H CYS A 12 5.434 0.472 4.499 1.00 0.00 H new ATOM 0 HA CYS A 12 5.161 -2.356 3.937 1.00 0.00 H new ATOM 0 HB2 CYS A 12 7.264 -0.772 5.496 1.00 0.00 H new ATOM 0 HB3 CYS A 12 7.438 -2.445 5.007 1.00 0.00 H new ATOM 146 N PHE A 13 4.771 -3.467 6.175 1.00 0.00 N ATOM 147 CA PHE A 13 4.317 -4.071 7.465 1.00 0.00 C ATOM 148 C PHE A 13 5.516 -4.750 8.130 1.00 0.00 C ATOM 149 O PHE A 13 5.524 -5.017 9.315 1.00 0.00 O ATOM 150 CB PHE A 13 3.233 -5.115 7.179 1.00 0.00 C ATOM 151 CG PHE A 13 3.841 -6.268 6.419 1.00 0.00 C ATOM 152 CD1 PHE A 13 4.105 -6.139 5.043 1.00 0.00 C ATOM 153 CD2 PHE A 13 4.158 -7.466 7.088 1.00 0.00 C ATOM 154 CE1 PHE A 13 4.684 -7.208 4.335 1.00 0.00 C ATOM 155 CE2 PHE A 13 4.739 -8.534 6.382 1.00 0.00 C ATOM 156 CZ PHE A 13 5.002 -8.406 5.004 1.00 0.00 C ATOM 0 H PHE A 13 4.903 -4.133 5.414 1.00 0.00 H new ATOM 0 HA PHE A 13 3.912 -3.301 8.121 1.00 0.00 H new ATOM 0 HB2 PHE A 13 2.797 -5.469 8.113 1.00 0.00 H new ATOM 0 HB3 PHE A 13 2.425 -4.668 6.600 1.00 0.00 H new ATOM 0 HD1 PHE A 13 3.863 -5.220 4.530 1.00 0.00 H new ATOM 0 HD2 PHE A 13 3.955 -7.564 8.144 1.00 0.00 H new ATOM 0 HE1 PHE A 13 4.885 -7.110 3.278 1.00 0.00 H new ATOM 0 HE2 PHE A 13 4.984 -9.452 6.896 1.00 0.00 H new ATOM 0 HZ PHE A 13 5.447 -9.226 4.461 1.00 0.00 H new ATOM 166 N SER A 14 6.533 -5.030 7.357 1.00 0.00 N ATOM 167 CA SER A 14 7.748 -5.690 7.907 1.00 0.00 C ATOM 168 C SER A 14 8.940 -5.338 7.016 1.00 0.00 C ATOM 169 O SER A 14 8.917 -4.355 6.302 1.00 0.00 O ATOM 170 CB SER A 14 7.548 -7.206 7.919 1.00 0.00 C ATOM 171 OG SER A 14 7.285 -7.656 6.596 1.00 0.00 O ATOM 0 H SER A 14 6.571 -4.826 6.358 1.00 0.00 H new ATOM 0 HA SER A 14 7.929 -5.347 8.926 1.00 0.00 H new ATOM 0 HB2 SER A 14 8.437 -7.698 8.313 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.720 -7.470 8.577 1.00 0.00 H new ATOM 0 HG SER A 14 6.338 -7.518 6.386 1.00 0.00 H new ATOM 177 N TYR A 15 9.986 -6.119 7.048 1.00 0.00 N ATOM 178 CA TYR A 15 11.174 -5.803 6.196 1.00 0.00 C ATOM 179 C TYR A 15 11.954 -7.085 5.904 1.00 0.00 C ATOM 180 O TYR A 15 11.785 -8.091 6.562 1.00 0.00 O ATOM 181 CB TYR A 15 12.085 -4.815 6.939 1.00 0.00 C ATOM 182 CG TYR A 15 11.243 -3.797 7.669 1.00 0.00 C ATOM 183 CD1 TYR A 15 10.812 -4.057 8.984 1.00 0.00 C ATOM 184 CD2 TYR A 15 10.885 -2.592 7.036 1.00 0.00 C ATOM 185 CE1 TYR A 15 10.023 -3.111 9.667 1.00 0.00 C ATOM 186 CE2 TYR A 15 10.096 -1.646 7.720 1.00 0.00 C ATOM 187 CZ TYR A 15 9.665 -1.906 9.034 1.00 0.00 C ATOM 188 OH TYR A 15 8.891 -0.980 9.702 1.00 0.00 O ATOM 0 H TYR A 15 10.072 -6.957 7.623 1.00 0.00 H new ATOM 0 HA TYR A 15 10.838 -5.361 5.258 1.00 0.00 H new ATOM 0 HB2 TYR A 15 12.719 -5.351 7.646 1.00 0.00 H new ATOM 0 HB3 TYR A 15 12.747 -4.314 6.233 1.00 0.00 H new ATOM 0 HD1 TYR A 15 11.086 -4.982 9.469 1.00 0.00 H new ATOM 0 HD2 TYR A 15 11.215 -2.393 6.027 1.00 0.00 H new ATOM 0 HE1 TYR A 15 9.693 -3.310 10.676 1.00 0.00 H new ATOM 0 HE2 TYR A 15 9.822 -0.721 7.235 1.00 0.00 H new ATOM 0 HH TYR A 15 8.736 -0.205 9.123 1.00 0.00 H new ATOM 198 N THR A 16 12.820 -7.050 4.927 1.00 0.00 N ATOM 199 CA THR A 16 13.620 -8.264 4.609 1.00 0.00 C ATOM 200 C THR A 16 14.455 -8.633 5.840 1.00 0.00 C ATOM 201 O THR A 16 14.110 -8.283 6.952 1.00 0.00 O ATOM 202 CB THR A 16 14.520 -7.987 3.396 1.00 0.00 C ATOM 203 OG1 THR A 16 15.360 -9.106 3.157 1.00 0.00 O ATOM 204 CG2 THR A 16 15.377 -6.747 3.650 1.00 0.00 C ATOM 0 H THR A 16 13.006 -6.237 4.339 1.00 0.00 H new ATOM 0 HA THR A 16 12.965 -9.098 4.358 1.00 0.00 H new ATOM 0 HB THR A 16 13.892 -7.812 2.522 1.00 0.00 H new ATOM 0 HG1 THR A 16 14.840 -9.931 3.249 1.00 0.00 H new ATOM 0 HG21 THR A 16 16.011 -6.560 2.784 1.00 0.00 H new ATOM 0 HG22 THR A 16 14.730 -5.886 3.819 1.00 0.00 H new ATOM 0 HG23 THR A 16 16.001 -6.910 4.528 1.00 0.00 H new ATOM 212 N ALA A 17 15.541 -9.338 5.668 1.00 0.00 N ATOM 213 CA ALA A 17 16.376 -9.722 6.848 1.00 0.00 C ATOM 214 C ALA A 17 17.850 -9.758 6.447 1.00 0.00 C ATOM 215 O ALA A 17 18.696 -10.190 7.205 1.00 0.00 O ATOM 216 CB ALA A 17 15.949 -11.108 7.333 1.00 0.00 C ATOM 0 H ALA A 17 15.887 -9.665 4.766 1.00 0.00 H new ATOM 0 HA ALA A 17 16.238 -8.991 7.645 1.00 0.00 H new ATOM 0 HB1 ALA A 17 16.554 -11.395 8.193 1.00 0.00 H new ATOM 0 HB2 ALA A 17 14.898 -11.085 7.620 1.00 0.00 H new ATOM 0 HB3 ALA A 17 16.091 -11.833 6.532 1.00 0.00 H new ATOM 222 N ARG A 18 18.167 -9.311 5.260 1.00 0.00 N ATOM 223 CA ARG A 18 19.590 -9.323 4.804 1.00 0.00 C ATOM 224 C ARG A 18 19.873 -8.070 3.970 1.00 0.00 C ATOM 225 O ARG A 18 19.079 -7.672 3.140 1.00 0.00 O ATOM 226 CB ARG A 18 19.835 -10.569 3.946 1.00 0.00 C ATOM 227 CG ARG A 18 19.998 -11.793 4.851 1.00 0.00 C ATOM 228 CD ARG A 18 19.924 -13.061 4.003 1.00 0.00 C ATOM 229 NE ARG A 18 20.407 -14.222 4.802 1.00 0.00 N ATOM 230 CZ ARG A 18 20.160 -15.439 4.399 1.00 0.00 C ATOM 231 NH1 ARG A 18 19.490 -15.638 3.298 1.00 0.00 N ATOM 232 NH2 ARG A 18 20.583 -16.456 5.099 1.00 0.00 N ATOM 0 H ARG A 18 17.500 -8.937 4.585 1.00 0.00 H new ATOM 0 HA ARG A 18 20.250 -9.337 5.672 1.00 0.00 H new ATOM 0 HB2 ARG A 18 19.001 -10.720 3.260 1.00 0.00 H new ATOM 0 HB3 ARG A 18 20.729 -10.433 3.337 1.00 0.00 H new ATOM 0 HG2 ARG A 18 20.953 -11.747 5.375 1.00 0.00 H new ATOM 0 HG3 ARG A 18 19.217 -11.804 5.611 1.00 0.00 H new ATOM 0 HD2 ARG A 18 18.899 -13.233 3.675 1.00 0.00 H new ATOM 0 HD3 ARG A 18 20.531 -12.946 3.105 1.00 0.00 H new ATOM 0 HE ARG A 18 20.930 -14.066 5.663 1.00 0.00 H new ATOM 0 HH11 ARG A 18 19.159 -14.843 2.752 1.00 0.00 H new ATOM 0 HH12 ARG A 18 19.297 -16.589 2.983 1.00 0.00 H new ATOM 0 HH21 ARG A 18 21.106 -16.300 5.961 1.00 0.00 H new ATOM 0 HH22 ARG A 18 20.390 -17.407 4.785 1.00 0.00 H new ATOM 246 N LYS A 19 21.005 -7.455 4.176 1.00 0.00 N ATOM 247 CA LYS A 19 21.348 -6.241 3.385 1.00 0.00 C ATOM 248 C LYS A 19 21.462 -6.646 1.913 1.00 0.00 C ATOM 249 O LYS A 19 22.148 -7.589 1.570 1.00 0.00 O ATOM 250 CB LYS A 19 22.684 -5.672 3.901 1.00 0.00 C ATOM 251 CG LYS A 19 23.190 -4.511 3.016 1.00 0.00 C ATOM 252 CD LYS A 19 24.689 -4.287 3.254 1.00 0.00 C ATOM 253 CE LYS A 19 24.974 -4.183 4.753 1.00 0.00 C ATOM 254 NZ LYS A 19 26.324 -3.589 4.962 1.00 0.00 N ATOM 0 H LYS A 19 21.707 -7.741 4.858 1.00 0.00 H new ATOM 0 HA LYS A 19 20.580 -5.474 3.488 1.00 0.00 H new ATOM 0 HB2 LYS A 19 22.559 -5.321 4.925 1.00 0.00 H new ATOM 0 HB3 LYS A 19 23.432 -6.464 3.925 1.00 0.00 H new ATOM 0 HG2 LYS A 19 23.010 -4.738 1.965 1.00 0.00 H new ATOM 0 HG3 LYS A 19 22.637 -3.600 3.245 1.00 0.00 H new ATOM 0 HD2 LYS A 19 25.260 -5.110 2.824 1.00 0.00 H new ATOM 0 HD3 LYS A 19 25.013 -3.376 2.750 1.00 0.00 H new ATOM 0 HE2 LYS A 19 24.215 -3.567 5.236 1.00 0.00 H new ATOM 0 HE3 LYS A 19 24.924 -5.170 5.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 26.518 -3.518 5.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 27.042 -4.193 4.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 26.355 -2.640 4.537 1.00 0.00 H new ATOM 268 N LEU A 20 20.793 -5.943 1.042 1.00 0.00 N ATOM 269 CA LEU A 20 20.863 -6.291 -0.405 1.00 0.00 C ATOM 270 C LEU A 20 22.239 -5.863 -0.964 1.00 0.00 C ATOM 271 O LEU A 20 22.610 -4.717 -0.797 1.00 0.00 O ATOM 272 CB LEU A 20 19.775 -5.522 -1.160 1.00 0.00 C ATOM 273 CG LEU A 20 18.433 -5.647 -0.435 1.00 0.00 C ATOM 274 CD1 LEU A 20 17.338 -5.039 -1.313 1.00 0.00 C ATOM 275 CD2 LEU A 20 18.114 -7.124 -0.175 1.00 0.00 C ATOM 0 H LEU A 20 20.202 -5.144 1.269 1.00 0.00 H new ATOM 0 HA LEU A 20 20.722 -7.365 -0.529 1.00 0.00 H new ATOM 0 HB2 LEU A 20 20.054 -4.472 -1.243 1.00 0.00 H new ATOM 0 HB3 LEU A 20 19.685 -5.909 -2.175 1.00 0.00 H new ATOM 0 HG LEU A 20 18.484 -5.121 0.519 1.00 0.00 H new ATOM 0 HD11 LEU A 20 16.377 -5.123 -0.806 1.00 0.00 H new ATOM 0 HD12 LEU A 20 17.561 -3.988 -1.497 1.00 0.00 H new ATOM 0 HD13 LEU A 20 17.295 -5.572 -2.263 1.00 0.00 H new ATOM 0 HD21 LEU A 20 17.157 -7.204 0.341 1.00 0.00 H new ATOM 0 HD22 LEU A 20 18.060 -7.657 -1.124 1.00 0.00 H new ATOM 0 HD23 LEU A 20 18.898 -7.562 0.443 1.00 0.00 H new ATOM 287 N PRO A 21 22.968 -6.751 -1.627 1.00 0.00 N ATOM 288 CA PRO A 21 24.276 -6.370 -2.194 1.00 0.00 C ATOM 289 C PRO A 21 24.109 -5.159 -3.114 1.00 0.00 C ATOM 290 O PRO A 21 23.128 -5.038 -3.819 1.00 0.00 O ATOM 291 CB PRO A 21 24.743 -7.607 -2.995 1.00 0.00 C ATOM 292 CG PRO A 21 23.740 -8.758 -2.696 1.00 0.00 C ATOM 293 CD PRO A 21 22.582 -8.161 -1.867 1.00 0.00 C ATOM 0 HA PRO A 21 24.999 -6.092 -1.427 1.00 0.00 H new ATOM 0 HB2 PRO A 21 24.768 -7.387 -4.062 1.00 0.00 H new ATOM 0 HB3 PRO A 21 25.754 -7.893 -2.705 1.00 0.00 H new ATOM 0 HG2 PRO A 21 23.364 -9.190 -3.624 1.00 0.00 H new ATOM 0 HG3 PRO A 21 24.231 -9.561 -2.146 1.00 0.00 H new ATOM 0 HD2 PRO A 21 21.637 -8.225 -2.406 1.00 0.00 H new ATOM 0 HD3 PRO A 21 22.450 -8.699 -0.928 1.00 0.00 H new ATOM 301 N ARG A 22 25.065 -4.273 -3.132 1.00 0.00 N ATOM 302 CA ARG A 22 24.958 -3.094 -4.032 1.00 0.00 C ATOM 303 C ARG A 22 24.630 -3.600 -5.444 1.00 0.00 C ATOM 304 O ARG A 22 23.905 -2.976 -6.192 1.00 0.00 O ATOM 305 CB ARG A 22 26.298 -2.331 -4.031 1.00 0.00 C ATOM 306 CG ARG A 22 26.063 -0.836 -4.292 1.00 0.00 C ATOM 307 CD ARG A 22 25.284 -0.643 -5.598 1.00 0.00 C ATOM 308 NE ARG A 22 25.508 0.738 -6.107 1.00 0.00 N ATOM 309 CZ ARG A 22 25.196 1.039 -7.338 1.00 0.00 C ATOM 310 NH1 ARG A 22 24.687 0.130 -8.124 1.00 0.00 N ATOM 311 NH2 ARG A 22 25.392 2.250 -7.783 1.00 0.00 N ATOM 0 H ARG A 22 25.912 -4.315 -2.565 1.00 0.00 H new ATOM 0 HA ARG A 22 24.174 -2.417 -3.694 1.00 0.00 H new ATOM 0 HB2 ARG A 22 26.799 -2.465 -3.072 1.00 0.00 H new ATOM 0 HB3 ARG A 22 26.958 -2.741 -4.796 1.00 0.00 H new ATOM 0 HG2 ARG A 22 25.510 -0.397 -3.462 1.00 0.00 H new ATOM 0 HG3 ARG A 22 27.019 -0.315 -4.349 1.00 0.00 H new ATOM 0 HD2 ARG A 22 25.609 -1.373 -6.339 1.00 0.00 H new ATOM 0 HD3 ARG A 22 24.221 -0.812 -5.429 1.00 0.00 H new ATOM 0 HE ARG A 22 25.905 1.449 -5.493 1.00 0.00 H new ATOM 0 HH11 ARG A 22 24.533 -0.816 -7.776 1.00 0.00 H new ATOM 0 HH12 ARG A 22 24.443 0.366 -9.086 1.00 0.00 H new ATOM 0 HH21 ARG A 22 25.789 2.961 -7.169 1.00 0.00 H new ATOM 0 HH22 ARG A 22 25.148 2.485 -8.745 1.00 0.00 H new ATOM 325 N ASN A 23 25.160 -4.741 -5.798 1.00 0.00 N ATOM 326 CA ASN A 23 24.887 -5.311 -7.148 1.00 0.00 C ATOM 327 C ASN A 23 23.453 -5.846 -7.200 1.00 0.00 C ATOM 328 O ASN A 23 23.106 -6.625 -8.065 1.00 0.00 O ATOM 329 CB ASN A 23 25.867 -6.451 -7.427 1.00 0.00 C ATOM 330 CG ASN A 23 25.625 -6.999 -8.835 1.00 0.00 C ATOM 331 OD1 ASN A 23 25.855 -6.316 -9.813 1.00 0.00 O ATOM 332 ND2 ASN A 23 25.168 -8.213 -8.981 1.00 0.00 N ATOM 0 H ASN A 23 25.772 -5.304 -5.207 1.00 0.00 H new ATOM 0 HA ASN A 23 25.010 -4.533 -7.901 1.00 0.00 H new ATOM 0 HB2 ASN A 23 26.893 -6.094 -7.336 1.00 0.00 H new ATOM 0 HB3 ASN A 23 25.739 -7.244 -6.690 1.00 0.00 H new ATOM 0 HD21 ASN A 23 25.004 -8.587 -9.916 1.00 0.00 H new ATOM 0 HD22 ASN A 23 24.975 -8.787 -8.160 1.00 0.00 H new ATOM 339 N PHE A 24 22.619 -5.442 -6.275 1.00 0.00 N ATOM 340 CA PHE A 24 21.205 -5.934 -6.262 1.00 0.00 C ATOM 341 C PHE A 24 20.280 -4.770 -5.891 1.00 0.00 C ATOM 342 O PHE A 24 19.217 -4.959 -5.336 1.00 0.00 O ATOM 343 CB PHE A 24 21.081 -7.059 -5.218 1.00 0.00 C ATOM 344 CG PHE A 24 19.885 -7.941 -5.518 1.00 0.00 C ATOM 345 CD1 PHE A 24 19.824 -8.656 -6.732 1.00 0.00 C ATOM 346 CD2 PHE A 24 18.838 -8.061 -4.580 1.00 0.00 C ATOM 347 CE1 PHE A 24 18.720 -9.484 -7.006 1.00 0.00 C ATOM 348 CE2 PHE A 24 17.734 -8.889 -4.858 1.00 0.00 C ATOM 349 CZ PHE A 24 17.675 -9.601 -6.071 1.00 0.00 C ATOM 0 H PHE A 24 22.856 -4.791 -5.526 1.00 0.00 H new ATOM 0 HA PHE A 24 20.925 -6.319 -7.243 1.00 0.00 H new ATOM 0 HB2 PHE A 24 21.990 -7.660 -5.214 1.00 0.00 H new ATOM 0 HB3 PHE A 24 20.980 -6.628 -4.222 1.00 0.00 H new ATOM 0 HD1 PHE A 24 20.625 -8.568 -7.451 1.00 0.00 H new ATOM 0 HD2 PHE A 24 18.884 -7.517 -3.648 1.00 0.00 H new ATOM 0 HE1 PHE A 24 18.675 -10.031 -7.936 1.00 0.00 H new ATOM 0 HE2 PHE A 24 16.932 -8.978 -4.140 1.00 0.00 H new ATOM 0 HZ PHE A 24 16.828 -10.237 -6.284 1.00 0.00 H new ATOM 359 N VAL A 25 20.684 -3.565 -6.202 1.00 0.00 N ATOM 360 CA VAL A 25 19.844 -2.373 -5.881 1.00 0.00 C ATOM 361 C VAL A 25 20.106 -1.287 -6.928 1.00 0.00 C ATOM 362 O VAL A 25 20.961 -0.441 -6.757 1.00 0.00 O ATOM 363 CB VAL A 25 20.219 -1.834 -4.499 1.00 0.00 C ATOM 364 CG1 VAL A 25 19.283 -0.683 -4.127 1.00 0.00 C ATOM 365 CG2 VAL A 25 20.085 -2.945 -3.456 1.00 0.00 C ATOM 0 H VAL A 25 21.567 -3.355 -6.668 1.00 0.00 H new ATOM 0 HA VAL A 25 18.791 -2.656 -5.886 1.00 0.00 H new ATOM 0 HB VAL A 25 21.249 -1.479 -4.523 1.00 0.00 H new ATOM 0 HG11 VAL A 25 19.551 -0.300 -3.142 1.00 0.00 H new ATOM 0 HG12 VAL A 25 19.376 0.114 -4.864 1.00 0.00 H new ATOM 0 HG13 VAL A 25 18.254 -1.042 -4.109 1.00 0.00 H new ATOM 0 HG21 VAL A 25 20.353 -2.556 -2.474 1.00 0.00 H new ATOM 0 HG22 VAL A 25 19.056 -3.303 -3.436 1.00 0.00 H new ATOM 0 HG23 VAL A 25 20.751 -3.769 -3.714 1.00 0.00 H new ATOM 375 N VAL A 26 19.382 -1.306 -8.014 1.00 0.00 N ATOM 376 CA VAL A 26 19.594 -0.281 -9.072 1.00 0.00 C ATOM 377 C VAL A 26 18.812 0.984 -8.727 1.00 0.00 C ATOM 378 O VAL A 26 18.998 2.022 -9.329 1.00 0.00 O ATOM 379 CB VAL A 26 19.107 -0.834 -10.411 1.00 0.00 C ATOM 380 CG1 VAL A 26 19.955 -2.045 -10.800 1.00 0.00 C ATOM 381 CG2 VAL A 26 17.641 -1.259 -10.289 1.00 0.00 C ATOM 0 H VAL A 26 18.651 -1.989 -8.213 1.00 0.00 H new ATOM 0 HA VAL A 26 20.655 -0.039 -9.138 1.00 0.00 H new ATOM 0 HB VAL A 26 19.199 -0.062 -11.175 1.00 0.00 H new ATOM 0 HG11 VAL A 26 19.608 -2.440 -11.755 1.00 0.00 H new ATOM 0 HG12 VAL A 26 20.999 -1.745 -10.889 1.00 0.00 H new ATOM 0 HG13 VAL A 26 19.863 -2.815 -10.034 1.00 0.00 H new ATOM 0 HG21 VAL A 26 17.296 -1.653 -11.245 1.00 0.00 H new ATOM 0 HG22 VAL A 26 17.548 -2.030 -9.524 1.00 0.00 H new ATOM 0 HG23 VAL A 26 17.034 -0.397 -10.011 1.00 0.00 H new ATOM 391 N ASP A 27 17.938 0.910 -7.764 1.00 0.00 N ATOM 392 CA ASP A 27 17.151 2.117 -7.393 1.00 0.00 C ATOM 393 C ASP A 27 16.387 1.843 -6.102 1.00 0.00 C ATOM 394 O ASP A 27 16.578 0.830 -5.460 1.00 0.00 O ATOM 395 CB ASP A 27 16.160 2.441 -8.513 1.00 0.00 C ATOM 396 CG ASP A 27 15.578 3.838 -8.295 1.00 0.00 C ATOM 397 OD1 ASP A 27 16.350 4.784 -8.281 1.00 0.00 O ATOM 398 OD2 ASP A 27 14.372 3.940 -8.144 1.00 0.00 O ATOM 0 H ASP A 27 17.735 0.071 -7.220 1.00 0.00 H new ATOM 0 HA ASP A 27 17.823 2.962 -7.247 1.00 0.00 H new ATOM 0 HB2 ASP A 27 16.660 2.391 -9.480 1.00 0.00 H new ATOM 0 HB3 ASP A 27 15.360 1.701 -8.529 1.00 0.00 H new ATOM 403 N TYR A 28 15.520 2.737 -5.715 1.00 0.00 N ATOM 404 CA TYR A 28 14.744 2.520 -4.466 1.00 0.00 C ATOM 405 C TYR A 28 13.445 3.318 -4.517 1.00 0.00 C ATOM 406 O TYR A 28 13.109 3.928 -5.512 1.00 0.00 O ATOM 407 CB TYR A 28 15.573 2.938 -3.245 1.00 0.00 C ATOM 408 CG TYR A 28 15.675 4.448 -3.154 1.00 0.00 C ATOM 409 CD1 TYR A 28 16.323 5.179 -4.170 1.00 0.00 C ATOM 410 CD2 TYR A 28 15.131 5.124 -2.042 1.00 0.00 C ATOM 411 CE1 TYR A 28 16.426 6.580 -4.075 1.00 0.00 C ATOM 412 CE2 TYR A 28 15.235 6.524 -1.946 1.00 0.00 C ATOM 413 CZ TYR A 28 15.882 7.253 -2.963 1.00 0.00 C ATOM 414 OH TYR A 28 15.984 8.626 -2.869 1.00 0.00 O ATOM 0 H TYR A 28 15.317 3.606 -6.209 1.00 0.00 H new ATOM 0 HA TYR A 28 14.506 1.460 -4.378 1.00 0.00 H new ATOM 0 HB2 TYR A 28 15.115 2.545 -2.337 1.00 0.00 H new ATOM 0 HB3 TYR A 28 16.571 2.505 -3.312 1.00 0.00 H new ATOM 0 HD1 TYR A 28 16.741 4.664 -5.022 1.00 0.00 H new ATOM 0 HD2 TYR A 28 14.634 4.566 -1.263 1.00 0.00 H new ATOM 0 HE1 TYR A 28 16.922 7.139 -4.855 1.00 0.00 H new ATOM 0 HE2 TYR A 28 14.819 7.039 -1.093 1.00 0.00 H new ATOM 0 HH TYR A 28 15.556 8.930 -2.042 1.00 0.00 H new ATOM 424 N TYR A 29 12.709 3.295 -3.450 1.00 0.00 N ATOM 425 CA TYR A 29 11.417 4.023 -3.408 1.00 0.00 C ATOM 426 C TYR A 29 11.011 4.204 -1.940 1.00 0.00 C ATOM 427 O TYR A 29 11.111 3.290 -1.149 1.00 0.00 O ATOM 428 CB TYR A 29 10.373 3.192 -4.174 1.00 0.00 C ATOM 429 CG TYR A 29 8.973 3.600 -3.785 1.00 0.00 C ATOM 430 CD1 TYR A 29 8.469 4.849 -4.189 1.00 0.00 C ATOM 431 CD2 TYR A 29 8.173 2.731 -3.018 1.00 0.00 C ATOM 432 CE1 TYR A 29 7.164 5.233 -3.825 1.00 0.00 C ATOM 433 CE2 TYR A 29 6.868 3.112 -2.653 1.00 0.00 C ATOM 434 CZ TYR A 29 6.364 4.365 -3.056 1.00 0.00 C ATOM 435 OH TYR A 29 5.084 4.740 -2.699 1.00 0.00 O ATOM 0 H TYR A 29 12.949 2.797 -2.593 1.00 0.00 H new ATOM 0 HA TYR A 29 11.495 5.006 -3.872 1.00 0.00 H new ATOM 0 HB2 TYR A 29 10.511 3.326 -5.247 1.00 0.00 H new ATOM 0 HB3 TYR A 29 10.520 2.133 -3.964 1.00 0.00 H new ATOM 0 HD1 TYR A 29 9.083 5.514 -4.779 1.00 0.00 H new ATOM 0 HD2 TYR A 29 8.561 1.771 -2.710 1.00 0.00 H new ATOM 0 HE1 TYR A 29 6.777 6.192 -4.135 1.00 0.00 H new ATOM 0 HE2 TYR A 29 6.254 2.445 -2.065 1.00 0.00 H new ATOM 0 HH TYR A 29 4.669 4.026 -2.171 1.00 0.00 H new ATOM 445 N GLU A 30 10.559 5.371 -1.563 1.00 0.00 N ATOM 446 CA GLU A 30 10.154 5.589 -0.139 1.00 0.00 C ATOM 447 C GLU A 30 8.649 5.350 0.005 1.00 0.00 C ATOM 448 O GLU A 30 7.898 5.440 -0.946 1.00 0.00 O ATOM 449 CB GLU A 30 10.487 7.024 0.272 1.00 0.00 C ATOM 450 CG GLU A 30 11.993 7.153 0.517 1.00 0.00 C ATOM 451 CD GLU A 30 12.356 8.627 0.702 1.00 0.00 C ATOM 452 OE1 GLU A 30 11.573 9.466 0.289 1.00 0.00 O ATOM 453 OE2 GLU A 30 13.411 8.892 1.253 1.00 0.00 O ATOM 0 H GLU A 30 10.452 6.180 -2.175 1.00 0.00 H new ATOM 0 HA GLU A 30 10.694 4.894 0.504 1.00 0.00 H new ATOM 0 HB2 GLU A 30 10.175 7.718 -0.508 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.937 7.291 1.175 1.00 0.00 H new ATOM 0 HG2 GLU A 30 12.278 6.584 1.402 1.00 0.00 H new ATOM 0 HG3 GLU A 30 12.546 6.734 -0.324 1.00 0.00 H new ATOM 460 N THR A 31 8.207 5.034 1.191 1.00 0.00 N ATOM 461 CA THR A 31 6.754 4.775 1.413 1.00 0.00 C ATOM 462 C THR A 31 5.971 6.086 1.377 1.00 0.00 C ATOM 463 O THR A 31 6.458 7.108 0.936 1.00 0.00 O ATOM 464 CB THR A 31 6.570 4.130 2.785 1.00 0.00 C ATOM 465 OG1 THR A 31 7.219 4.932 3.758 1.00 0.00 O ATOM 466 CG2 THR A 31 7.176 2.724 2.775 1.00 0.00 C ATOM 0 H THR A 31 8.792 4.943 2.021 1.00 0.00 H new ATOM 0 HA THR A 31 6.386 4.115 0.627 1.00 0.00 H new ATOM 0 HB THR A 31 5.509 4.054 3.023 1.00 0.00 H new ATOM 0 HG1 THR A 31 7.521 5.768 3.345 1.00 0.00 H new ATOM 0 HG21 THR A 31 7.044 2.264 3.754 1.00 0.00 H new ATOM 0 HG22 THR A 31 6.676 2.118 2.019 1.00 0.00 H new ATOM 0 HG23 THR A 31 8.239 2.788 2.544 1.00 0.00 H new ATOM 474 N SER A 32 4.755 6.056 1.852 1.00 0.00 N ATOM 475 CA SER A 32 3.915 7.286 1.869 1.00 0.00 C ATOM 476 C SER A 32 4.158 8.043 3.173 1.00 0.00 C ATOM 477 O SER A 32 5.265 8.124 3.665 1.00 0.00 O ATOM 478 CB SER A 32 2.441 6.890 1.782 1.00 0.00 C ATOM 479 OG SER A 32 1.661 8.044 1.495 1.00 0.00 O ATOM 0 H SER A 32 4.305 5.224 2.232 1.00 0.00 H new ATOM 0 HA SER A 32 4.175 7.921 1.022 1.00 0.00 H new ATOM 0 HB2 SER A 32 2.300 6.139 1.005 1.00 0.00 H new ATOM 0 HB3 SER A 32 2.117 6.442 2.721 1.00 0.00 H new ATOM 0 HG SER A 32 0.795 7.770 1.127 1.00 0.00 H new ATOM 485 N SER A 33 3.122 8.596 3.734 1.00 0.00 N ATOM 486 CA SER A 33 3.261 9.356 5.012 1.00 0.00 C ATOM 487 C SER A 33 2.006 9.140 5.849 1.00 0.00 C ATOM 488 O SER A 33 2.057 9.050 7.059 1.00 0.00 O ATOM 489 CB SER A 33 3.397 10.842 4.697 1.00 0.00 C ATOM 490 OG SER A 33 2.107 11.391 4.461 1.00 0.00 O ATOM 0 H SER A 33 2.174 8.555 3.360 1.00 0.00 H new ATOM 0 HA SER A 33 4.140 9.012 5.557 1.00 0.00 H new ATOM 0 HB2 SER A 33 3.879 11.359 5.527 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.031 10.984 3.822 1.00 0.00 H new ATOM 0 HG SER A 33 1.690 10.933 3.701 1.00 0.00 H new ATOM 496 N LEU A 34 0.879 9.067 5.195 1.00 0.00 N ATOM 497 CA LEU A 34 -0.418 8.861 5.904 1.00 0.00 C ATOM 498 C LEU A 34 -0.247 7.872 7.060 1.00 0.00 C ATOM 499 O LEU A 34 -0.533 8.176 8.201 1.00 0.00 O ATOM 500 CB LEU A 34 -1.450 8.300 4.921 1.00 0.00 C ATOM 501 CG LEU A 34 -1.342 9.021 3.576 1.00 0.00 C ATOM 502 CD1 LEU A 34 -2.497 8.584 2.671 1.00 0.00 C ATOM 503 CD2 LEU A 34 -1.407 10.536 3.798 1.00 0.00 C ATOM 0 H LEU A 34 0.800 9.143 4.181 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.754 9.819 6.300 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.289 7.231 4.783 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.454 8.421 5.328 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.393 8.767 3.103 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.422 9.097 1.712 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.447 7.507 2.512 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.446 8.837 3.144 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.330 11.048 2.839 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.354 10.794 4.272 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.583 10.845 4.441 1.00 0.00 H new ATOM 515 N CYS A 35 0.214 6.689 6.768 1.00 0.00 N ATOM 516 CA CYS A 35 0.397 5.682 7.848 1.00 0.00 C ATOM 517 C CYS A 35 1.573 6.100 8.737 1.00 0.00 C ATOM 518 O CYS A 35 2.634 6.443 8.261 1.00 0.00 O ATOM 519 CB CYS A 35 0.661 4.304 7.230 1.00 0.00 C ATOM 520 SG CYS A 35 1.745 4.469 5.790 1.00 0.00 S ATOM 0 H CYS A 35 0.471 6.377 5.832 1.00 0.00 H new ATOM 0 HA CYS A 35 -0.507 5.626 8.455 1.00 0.00 H new ATOM 0 HB2 CYS A 35 1.121 3.647 7.968 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -0.281 3.842 6.935 1.00 0.00 H new ATOM 525 N SER A 36 1.377 6.100 10.025 1.00 0.00 N ATOM 526 CA SER A 36 2.464 6.512 10.963 1.00 0.00 C ATOM 527 C SER A 36 3.640 5.521 10.934 1.00 0.00 C ATOM 528 O SER A 36 4.297 5.322 11.935 1.00 0.00 O ATOM 529 CB SER A 36 1.901 6.579 12.382 1.00 0.00 C ATOM 530 OG SER A 36 0.899 7.586 12.442 1.00 0.00 O ATOM 0 H SER A 36 0.502 5.830 10.475 1.00 0.00 H new ATOM 0 HA SER A 36 2.833 7.488 10.649 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.481 5.614 12.665 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.698 6.800 13.092 1.00 0.00 H new ATOM 0 HG SER A 36 0.534 7.631 13.350 1.00 0.00 H new ATOM 536 N GLN A 37 3.926 4.891 9.820 1.00 0.00 N ATOM 537 CA GLN A 37 5.072 3.927 9.802 1.00 0.00 C ATOM 538 C GLN A 37 5.658 3.789 8.388 1.00 0.00 C ATOM 539 O GLN A 37 5.589 2.727 7.804 1.00 0.00 O ATOM 540 CB GLN A 37 4.586 2.555 10.283 1.00 0.00 C ATOM 541 CG GLN A 37 3.272 2.194 9.584 1.00 0.00 C ATOM 542 CD GLN A 37 2.795 0.824 10.072 1.00 0.00 C ATOM 543 OE1 GLN A 37 3.130 0.405 11.161 1.00 0.00 O ATOM 544 NE2 GLN A 37 2.022 0.105 9.305 1.00 0.00 N ATOM 0 H GLN A 37 3.426 4.999 8.937 1.00 0.00 H new ATOM 0 HA GLN A 37 5.851 4.306 10.463 1.00 0.00 H new ATOM 0 HB2 GLN A 37 5.341 1.797 10.072 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.442 2.569 11.363 1.00 0.00 H new ATOM 0 HG2 GLN A 37 2.516 2.950 9.794 1.00 0.00 H new ATOM 0 HG3 GLN A 37 3.415 2.178 8.504 1.00 0.00 H new ATOM 0 HE21 GLN A 37 1.741 0.458 8.390 1.00 0.00 H new ATOM 0 HE22 GLN A 37 1.699 -0.810 9.620 1.00 0.00 H new ATOM 553 N PRO A 38 6.243 4.853 7.879 1.00 0.00 N ATOM 554 CA PRO A 38 6.865 4.825 6.541 1.00 0.00 C ATOM 555 C PRO A 38 8.131 3.958 6.590 1.00 0.00 C ATOM 556 O PRO A 38 8.533 3.482 7.633 1.00 0.00 O ATOM 557 CB PRO A 38 7.213 6.301 6.239 1.00 0.00 C ATOM 558 CG PRO A 38 6.989 7.108 7.553 1.00 0.00 C ATOM 559 CD PRO A 38 6.328 6.155 8.576 1.00 0.00 C ATOM 0 HA PRO A 38 6.216 4.403 5.774 1.00 0.00 H new ATOM 0 HB2 PRO A 38 8.246 6.391 5.904 1.00 0.00 H new ATOM 0 HB3 PRO A 38 6.583 6.688 5.438 1.00 0.00 H new ATOM 0 HG2 PRO A 38 7.936 7.486 7.937 1.00 0.00 H new ATOM 0 HG3 PRO A 38 6.352 7.973 7.368 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.922 6.078 9.487 1.00 0.00 H new ATOM 0 HD3 PRO A 38 5.341 6.512 8.869 1.00 0.00 H new ATOM 567 N ALA A 39 8.760 3.761 5.469 1.00 0.00 N ATOM 568 CA ALA A 39 9.999 2.944 5.426 1.00 0.00 C ATOM 569 C ALA A 39 10.660 3.149 4.066 1.00 0.00 C ATOM 570 O ALA A 39 10.075 3.727 3.172 1.00 0.00 O ATOM 571 CB ALA A 39 9.646 1.467 5.605 1.00 0.00 C ATOM 0 H ALA A 39 8.464 4.137 4.568 1.00 0.00 H new ATOM 0 HA ALA A 39 10.677 3.246 6.225 1.00 0.00 H new ATOM 0 HB1 ALA A 39 10.557 0.869 5.573 1.00 0.00 H new ATOM 0 HB2 ALA A 39 9.152 1.325 6.566 1.00 0.00 H new ATOM 0 HB3 ALA A 39 8.977 1.153 4.803 1.00 0.00 H new ATOM 577 N VAL A 40 11.860 2.667 3.888 1.00 0.00 N ATOM 578 CA VAL A 40 12.538 2.822 2.565 1.00 0.00 C ATOM 579 C VAL A 40 12.356 1.519 1.796 1.00 0.00 C ATOM 580 O VAL A 40 12.369 0.446 2.367 1.00 0.00 O ATOM 581 CB VAL A 40 14.032 3.109 2.775 1.00 0.00 C ATOM 582 CG1 VAL A 40 14.802 2.861 1.472 1.00 0.00 C ATOM 583 CG2 VAL A 40 14.208 4.571 3.185 1.00 0.00 C ATOM 0 H VAL A 40 12.401 2.173 4.598 1.00 0.00 H new ATOM 0 HA VAL A 40 12.107 3.654 2.008 1.00 0.00 H new ATOM 0 HB VAL A 40 14.417 2.450 3.553 1.00 0.00 H new ATOM 0 HG11 VAL A 40 15.861 3.067 1.630 1.00 0.00 H new ATOM 0 HG12 VAL A 40 14.676 1.822 1.167 1.00 0.00 H new ATOM 0 HG13 VAL A 40 14.417 3.517 0.691 1.00 0.00 H new ATOM 0 HG21 VAL A 40 15.267 4.782 3.336 1.00 0.00 H new ATOM 0 HG22 VAL A 40 13.817 5.219 2.400 1.00 0.00 H new ATOM 0 HG23 VAL A 40 13.666 4.757 4.112 1.00 0.00 H new ATOM 593 N VAL A 41 12.176 1.606 0.504 1.00 0.00 N ATOM 594 CA VAL A 41 11.974 0.377 -0.326 1.00 0.00 C ATOM 595 C VAL A 41 13.074 0.287 -1.387 1.00 0.00 C ATOM 596 O VAL A 41 13.197 1.139 -2.237 1.00 0.00 O ATOM 597 CB VAL A 41 10.602 0.446 -1.000 1.00 0.00 C ATOM 598 CG1 VAL A 41 10.190 -0.945 -1.478 1.00 0.00 C ATOM 599 CG2 VAL A 41 9.569 0.956 0.009 1.00 0.00 C ATOM 0 H VAL A 41 12.160 2.482 -0.018 1.00 0.00 H new ATOM 0 HA VAL A 41 12.021 -0.508 0.309 1.00 0.00 H new ATOM 0 HB VAL A 41 10.654 1.122 -1.854 1.00 0.00 H new ATOM 0 HG11 VAL A 41 9.212 -0.890 -1.957 1.00 0.00 H new ATOM 0 HG12 VAL A 41 10.924 -1.316 -2.193 1.00 0.00 H new ATOM 0 HG13 VAL A 41 10.139 -1.622 -0.626 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.590 1.007 -0.467 1.00 0.00 H new ATOM 0 HG22 VAL A 41 9.524 0.276 0.859 1.00 0.00 H new ATOM 0 HG23 VAL A 41 9.857 1.949 0.354 1.00 0.00 H new ATOM 609 N PHE A 42 13.880 -0.740 -1.344 1.00 0.00 N ATOM 610 CA PHE A 42 14.977 -0.871 -2.350 1.00 0.00 C ATOM 611 C PHE A 42 14.475 -1.633 -3.576 1.00 0.00 C ATOM 612 O PHE A 42 13.823 -2.652 -3.467 1.00 0.00 O ATOM 613 CB PHE A 42 16.150 -1.640 -1.732 1.00 0.00 C ATOM 614 CG PHE A 42 16.907 -0.744 -0.778 1.00 0.00 C ATOM 615 CD1 PHE A 42 17.589 0.388 -1.267 1.00 0.00 C ATOM 616 CD2 PHE A 42 16.938 -1.043 0.599 1.00 0.00 C ATOM 617 CE1 PHE A 42 18.300 1.219 -0.382 1.00 0.00 C ATOM 618 CE2 PHE A 42 17.651 -0.212 1.483 1.00 0.00 C ATOM 619 CZ PHE A 42 18.331 0.919 0.993 1.00 0.00 C ATOM 0 H PHE A 42 13.828 -1.493 -0.658 1.00 0.00 H new ATOM 0 HA PHE A 42 15.302 0.125 -2.649 1.00 0.00 H new ATOM 0 HB2 PHE A 42 15.782 -2.519 -1.204 1.00 0.00 H new ATOM 0 HB3 PHE A 42 16.817 -1.996 -2.517 1.00 0.00 H new ATOM 0 HD1 PHE A 42 17.566 0.618 -2.322 1.00 0.00 H new ATOM 0 HD2 PHE A 42 16.415 -1.910 0.976 1.00 0.00 H new ATOM 0 HE1 PHE A 42 18.822 2.087 -0.757 1.00 0.00 H new ATOM 0 HE2 PHE A 42 17.677 -0.442 2.538 1.00 0.00 H new ATOM 0 HZ PHE A 42 18.877 1.557 1.672 1.00 0.00 H new ATOM 629 N GLN A 43 14.798 -1.152 -4.748 1.00 0.00 N ATOM 630 CA GLN A 43 14.373 -1.845 -6.001 1.00 0.00 C ATOM 631 C GLN A 43 15.551 -2.699 -6.481 1.00 0.00 C ATOM 632 O GLN A 43 16.638 -2.192 -6.699 1.00 0.00 O ATOM 633 CB GLN A 43 14.013 -0.793 -7.052 1.00 0.00 C ATOM 634 CG GLN A 43 12.758 -0.037 -6.609 1.00 0.00 C ATOM 635 CD GLN A 43 12.545 1.176 -7.515 1.00 0.00 C ATOM 636 OE1 GLN A 43 12.775 1.106 -8.706 1.00 0.00 O ATOM 637 NE2 GLN A 43 12.112 2.293 -6.999 1.00 0.00 N ATOM 0 H GLN A 43 15.343 -0.302 -4.892 1.00 0.00 H new ATOM 0 HA GLN A 43 13.502 -2.478 -5.829 1.00 0.00 H new ATOM 0 HB2 GLN A 43 14.842 -0.097 -7.184 1.00 0.00 H new ATOM 0 HB3 GLN A 43 13.841 -1.271 -8.016 1.00 0.00 H new ATOM 0 HG2 GLN A 43 11.890 -0.695 -6.654 1.00 0.00 H new ATOM 0 HG3 GLN A 43 12.861 0.284 -5.572 1.00 0.00 H new ATOM 0 HE21 GLN A 43 11.919 2.352 -5.999 1.00 0.00 H new ATOM 0 HE22 GLN A 43 11.966 3.108 -7.595 1.00 0.00 H new ATOM 646 N THR A 44 15.368 -3.999 -6.605 1.00 0.00 N ATOM 647 CA THR A 44 16.514 -4.879 -7.017 1.00 0.00 C ATOM 648 C THR A 44 16.484 -5.200 -8.511 1.00 0.00 C ATOM 649 O THR A 44 15.856 -4.522 -9.301 1.00 0.00 O ATOM 650 CB THR A 44 16.444 -6.189 -6.234 1.00 0.00 C ATOM 651 OG1 THR A 44 15.496 -7.051 -6.845 1.00 0.00 O ATOM 652 CG2 THR A 44 16.022 -5.899 -4.795 1.00 0.00 C ATOM 0 H THR A 44 14.485 -4.482 -6.441 1.00 0.00 H new ATOM 0 HA THR A 44 17.438 -4.341 -6.804 1.00 0.00 H new ATOM 0 HB THR A 44 17.423 -6.669 -6.233 1.00 0.00 H new ATOM 0 HG1 THR A 44 15.636 -7.968 -6.528 1.00 0.00 H new ATOM 0 HG21 THR A 44 15.972 -6.833 -4.235 1.00 0.00 H new ATOM 0 HG22 THR A 44 16.750 -5.235 -4.329 1.00 0.00 H new ATOM 0 HG23 THR A 44 15.042 -5.421 -4.792 1.00 0.00 H new ATOM 660 N LYS A 45 17.191 -6.240 -8.894 1.00 0.00 N ATOM 661 CA LYS A 45 17.260 -6.650 -10.330 1.00 0.00 C ATOM 662 C LYS A 45 16.510 -7.971 -10.536 1.00 0.00 C ATOM 663 O LYS A 45 16.047 -8.262 -11.621 1.00 0.00 O ATOM 664 CB LYS A 45 18.729 -6.854 -10.724 1.00 0.00 C ATOM 665 CG LYS A 45 19.584 -5.702 -10.193 1.00 0.00 C ATOM 666 CD LYS A 45 21.047 -5.944 -10.577 1.00 0.00 C ATOM 667 CE LYS A 45 21.890 -4.716 -10.220 1.00 0.00 C ATOM 668 NZ LYS A 45 23.329 -5.101 -10.173 1.00 0.00 N ATOM 0 H LYS A 45 17.730 -6.829 -8.259 1.00 0.00 H new ATOM 0 HA LYS A 45 16.805 -5.873 -10.944 1.00 0.00 H new ATOM 0 HB2 LYS A 45 19.092 -7.800 -10.324 1.00 0.00 H new ATOM 0 HB3 LYS A 45 18.817 -6.912 -11.809 1.00 0.00 H new ATOM 0 HG2 LYS A 45 19.238 -4.755 -10.608 1.00 0.00 H new ATOM 0 HG3 LYS A 45 19.487 -5.630 -9.110 1.00 0.00 H new ATOM 0 HD2 LYS A 45 21.428 -6.822 -10.055 1.00 0.00 H new ATOM 0 HD3 LYS A 45 21.123 -6.150 -11.645 1.00 0.00 H new ATOM 0 HE2 LYS A 45 21.737 -3.929 -10.958 1.00 0.00 H new ATOM 0 HE3 LYS A 45 21.578 -4.314 -9.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 23.875 -4.348 -9.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 23.434 -5.987 -9.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 23.684 -5.237 -11.141 1.00 0.00 H new ATOM 682 N ARG A 46 16.397 -8.779 -9.505 1.00 0.00 N ATOM 683 CA ARG A 46 15.687 -10.096 -9.636 1.00 0.00 C ATOM 684 C ARG A 46 14.563 -10.138 -8.597 1.00 0.00 C ATOM 685 O ARG A 46 14.407 -11.085 -7.859 1.00 0.00 O ATOM 686 CB ARG A 46 16.693 -11.241 -9.390 1.00 0.00 C ATOM 687 CG ARG A 46 16.217 -12.558 -10.044 1.00 0.00 C ATOM 688 CD ARG A 46 15.119 -13.236 -9.213 1.00 0.00 C ATOM 689 NE ARG A 46 15.036 -14.674 -9.594 1.00 0.00 N ATOM 690 CZ ARG A 46 14.398 -15.515 -8.826 1.00 0.00 C ATOM 691 NH1 ARG A 46 13.833 -15.097 -7.727 1.00 0.00 N ATOM 692 NH2 ARG A 46 14.327 -16.775 -9.158 1.00 0.00 N ATOM 0 H ARG A 46 16.767 -8.582 -8.575 1.00 0.00 H new ATOM 0 HA ARG A 46 15.266 -10.212 -10.635 1.00 0.00 H new ATOM 0 HB2 ARG A 46 17.667 -10.964 -9.792 1.00 0.00 H new ATOM 0 HB3 ARG A 46 16.822 -11.391 -8.318 1.00 0.00 H new ATOM 0 HG2 ARG A 46 15.841 -12.352 -11.046 1.00 0.00 H new ATOM 0 HG3 ARG A 46 17.063 -13.237 -10.154 1.00 0.00 H new ATOM 0 HD2 ARG A 46 15.340 -13.141 -8.150 1.00 0.00 H new ATOM 0 HD3 ARG A 46 14.161 -12.746 -9.385 1.00 0.00 H new ATOM 0 HE ARG A 46 15.477 -15.001 -10.454 1.00 0.00 H new ATOM 0 HH11 ARG A 46 13.889 -14.112 -7.467 1.00 0.00 H new ATOM 0 HH12 ARG A 46 13.335 -15.755 -7.128 1.00 0.00 H new ATOM 0 HH21 ARG A 46 14.770 -17.102 -10.017 1.00 0.00 H new ATOM 0 HH22 ARG A 46 13.829 -17.433 -8.559 1.00 0.00 H new ATOM 706 N SER A 47 13.779 -9.104 -8.544 1.00 0.00 N ATOM 707 CA SER A 47 12.659 -9.055 -7.581 1.00 0.00 C ATOM 708 C SER A 47 11.764 -7.889 -7.986 1.00 0.00 C ATOM 709 O SER A 47 11.288 -7.822 -9.100 1.00 0.00 O ATOM 710 CB SER A 47 13.195 -8.870 -6.151 1.00 0.00 C ATOM 711 OG SER A 47 14.338 -9.695 -5.968 1.00 0.00 O ATOM 0 H SER A 47 13.871 -8.280 -9.138 1.00 0.00 H new ATOM 0 HA SER A 47 12.092 -9.986 -7.594 1.00 0.00 H new ATOM 0 HB2 SER A 47 13.455 -7.825 -5.980 1.00 0.00 H new ATOM 0 HB3 SER A 47 12.425 -9.130 -5.425 1.00 0.00 H new ATOM 0 HG SER A 47 14.142 -10.601 -6.288 1.00 0.00 H new ATOM 717 N LYS A 48 11.558 -6.963 -7.112 1.00 0.00 N ATOM 718 CA LYS A 48 10.721 -5.783 -7.447 1.00 0.00 C ATOM 719 C LYS A 48 11.074 -4.684 -6.452 1.00 0.00 C ATOM 720 O LYS A 48 11.914 -3.846 -6.706 1.00 0.00 O ATOM 721 CB LYS A 48 9.218 -6.150 -7.344 1.00 0.00 C ATOM 722 CG LYS A 48 8.626 -6.449 -8.733 1.00 0.00 C ATOM 723 CD LYS A 48 7.097 -6.511 -8.637 1.00 0.00 C ATOM 724 CE LYS A 48 6.667 -7.708 -7.781 1.00 0.00 C ATOM 725 NZ LYS A 48 6.749 -7.340 -6.340 1.00 0.00 N ATOM 0 H LYS A 48 11.936 -6.967 -6.165 1.00 0.00 H new ATOM 0 HA LYS A 48 10.909 -5.448 -8.467 1.00 0.00 H new ATOM 0 HB2 LYS A 48 9.096 -7.019 -6.698 1.00 0.00 H new ATOM 0 HB3 LYS A 48 8.671 -5.329 -6.881 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.925 -5.676 -9.441 1.00 0.00 H new ATOM 0 HG3 LYS A 48 9.016 -7.395 -9.110 1.00 0.00 H new ATOM 0 HD2 LYS A 48 6.715 -5.588 -8.201 1.00 0.00 H new ATOM 0 HD3 LYS A 48 6.666 -6.595 -9.635 1.00 0.00 H new ATOM 0 HE2 LYS A 48 5.649 -8.004 -8.035 1.00 0.00 H new ATOM 0 HE3 LYS A 48 7.309 -8.565 -7.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 7.534 -7.856 -5.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 6.913 -6.317 -6.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 5.857 -7.590 -5.867 1.00 0.00 H new ATOM 739 N GLN A 49 10.443 -4.707 -5.306 1.00 0.00 N ATOM 740 CA GLN A 49 10.724 -3.689 -4.250 1.00 0.00 C ATOM 741 C GLN A 49 10.880 -4.427 -2.908 1.00 0.00 C ATOM 742 O GLN A 49 10.224 -5.420 -2.658 1.00 0.00 O ATOM 743 CB GLN A 49 9.558 -2.666 -4.177 1.00 0.00 C ATOM 744 CG GLN A 49 8.655 -2.797 -5.408 1.00 0.00 C ATOM 745 CD GLN A 49 7.704 -1.601 -5.474 1.00 0.00 C ATOM 746 OE1 GLN A 49 6.531 -1.726 -5.182 1.00 0.00 O ATOM 747 NE2 GLN A 49 8.163 -0.438 -5.848 1.00 0.00 N ATOM 0 H GLN A 49 9.736 -5.397 -5.054 1.00 0.00 H new ATOM 0 HA GLN A 49 11.638 -3.141 -4.481 1.00 0.00 H new ATOM 0 HB2 GLN A 49 8.975 -2.833 -3.271 1.00 0.00 H new ATOM 0 HB3 GLN A 49 9.957 -1.654 -4.117 1.00 0.00 H new ATOM 0 HG2 GLN A 49 9.261 -2.844 -6.313 1.00 0.00 H new ATOM 0 HG3 GLN A 49 8.086 -3.725 -5.357 1.00 0.00 H new ATOM 0 HE21 GLN A 49 9.148 -0.333 -6.093 1.00 0.00 H new ATOM 0 HE22 GLN A 49 7.537 0.366 -5.895 1.00 0.00 H new ATOM 756 N VAL A 50 11.750 -3.953 -2.051 1.00 0.00 N ATOM 757 CA VAL A 50 11.962 -4.622 -0.727 1.00 0.00 C ATOM 758 C VAL A 50 11.969 -3.569 0.371 1.00 0.00 C ATOM 759 O VAL A 50 12.741 -2.637 0.336 1.00 0.00 O ATOM 760 CB VAL A 50 13.306 -5.356 -0.736 1.00 0.00 C ATOM 761 CG1 VAL A 50 13.375 -6.308 0.461 1.00 0.00 C ATOM 762 CG2 VAL A 50 13.439 -6.146 -2.040 1.00 0.00 C ATOM 0 H VAL A 50 12.326 -3.127 -2.211 1.00 0.00 H new ATOM 0 HA VAL A 50 11.159 -5.337 -0.545 1.00 0.00 H new ATOM 0 HB VAL A 50 14.121 -4.636 -0.666 1.00 0.00 H new ATOM 0 HG11 VAL A 50 14.331 -6.831 0.455 1.00 0.00 H new ATOM 0 HG12 VAL A 50 13.278 -5.738 1.385 1.00 0.00 H new ATOM 0 HG13 VAL A 50 12.564 -7.034 0.396 1.00 0.00 H new ATOM 0 HG21 VAL A 50 14.394 -6.671 -2.052 1.00 0.00 H new ATOM 0 HG22 VAL A 50 12.627 -6.869 -2.112 1.00 0.00 H new ATOM 0 HG23 VAL A 50 13.391 -5.461 -2.887 1.00 0.00 H new ATOM 772 N CYS A 51 11.121 -3.716 1.349 1.00 0.00 N ATOM 773 CA CYS A 51 11.074 -2.718 2.447 1.00 0.00 C ATOM 774 C CYS A 51 12.316 -2.873 3.322 1.00 0.00 C ATOM 775 O CYS A 51 12.860 -3.950 3.461 1.00 0.00 O ATOM 776 CB CYS A 51 9.820 -2.956 3.289 1.00 0.00 C ATOM 777 SG CYS A 51 8.348 -2.627 2.289 1.00 0.00 S ATOM 0 H CYS A 51 10.458 -4.486 1.434 1.00 0.00 H new ATOM 0 HA CYS A 51 11.047 -1.711 2.031 1.00 0.00 H new ATOM 0 HB2 CYS A 51 9.803 -3.983 3.653 1.00 0.00 H new ATOM 0 HB3 CYS A 51 9.829 -2.308 4.165 1.00 0.00 H new ATOM 782 N ALA A 52 12.776 -1.796 3.903 1.00 0.00 N ATOM 783 CA ALA A 52 13.996 -1.862 4.763 1.00 0.00 C ATOM 784 C ALA A 52 13.814 -0.944 5.973 1.00 0.00 C ATOM 785 O ALA A 52 13.354 0.177 5.853 1.00 0.00 O ATOM 786 CB ALA A 52 15.209 -1.397 3.953 1.00 0.00 C ATOM 0 H ALA A 52 12.358 -0.869 3.819 1.00 0.00 H new ATOM 0 HA ALA A 52 14.151 -2.886 5.102 1.00 0.00 H new ATOM 0 HB1 ALA A 52 16.102 -1.443 4.576 1.00 0.00 H new ATOM 0 HB2 ALA A 52 15.338 -2.045 3.086 1.00 0.00 H new ATOM 0 HB3 ALA A 52 15.052 -0.371 3.619 1.00 0.00 H new ATOM 792 N ASP A 53 14.170 -1.413 7.138 1.00 0.00 N ATOM 793 CA ASP A 53 14.019 -0.577 8.362 1.00 0.00 C ATOM 794 C ASP A 53 15.014 0.608 8.301 1.00 0.00 C ATOM 795 O ASP A 53 16.205 0.374 8.291 1.00 0.00 O ATOM 796 CB ASP A 53 14.351 -1.432 9.589 1.00 0.00 C ATOM 797 CG ASP A 53 13.279 -2.508 9.768 1.00 0.00 C ATOM 798 OD1 ASP A 53 13.401 -3.548 9.142 1.00 0.00 O ATOM 799 OD2 ASP A 53 12.355 -2.275 10.530 1.00 0.00 O ATOM 0 H ASP A 53 14.560 -2.342 7.295 1.00 0.00 H new ATOM 0 HA ASP A 53 12.998 -0.201 8.426 1.00 0.00 H new ATOM 0 HB2 ASP A 53 15.330 -1.896 9.468 1.00 0.00 H new ATOM 0 HB3 ASP A 53 14.404 -0.805 10.479 1.00 0.00 H new ATOM 804 N PRO A 54 14.537 1.848 8.264 1.00 0.00 N ATOM 805 CA PRO A 54 15.458 3.004 8.208 1.00 0.00 C ATOM 806 C PRO A 54 16.360 3.017 9.452 1.00 0.00 C ATOM 807 O PRO A 54 17.262 3.821 9.570 1.00 0.00 O ATOM 808 CB PRO A 54 14.543 4.249 8.175 1.00 0.00 C ATOM 809 CG PRO A 54 13.069 3.751 8.195 1.00 0.00 C ATOM 810 CD PRO A 54 13.098 2.208 8.271 1.00 0.00 C ATOM 0 HA PRO A 54 16.117 2.970 7.341 1.00 0.00 H new ATOM 0 HB2 PRO A 54 14.741 4.893 9.032 1.00 0.00 H new ATOM 0 HB3 PRO A 54 14.735 4.841 7.280 1.00 0.00 H new ATOM 0 HG2 PRO A 54 12.536 4.167 9.050 1.00 0.00 H new ATOM 0 HG3 PRO A 54 12.541 4.080 7.300 1.00 0.00 H new ATOM 0 HD2 PRO A 54 12.606 1.848 9.175 1.00 0.00 H new ATOM 0 HD3 PRO A 54 12.576 1.762 7.425 1.00 0.00 H new ATOM 818 N SER A 55 16.107 2.142 10.383 1.00 0.00 N ATOM 819 CA SER A 55 16.932 2.113 11.625 1.00 0.00 C ATOM 820 C SER A 55 18.283 1.449 11.345 1.00 0.00 C ATOM 821 O SER A 55 19.233 1.630 12.080 1.00 0.00 O ATOM 822 CB SER A 55 16.192 1.321 12.704 1.00 0.00 C ATOM 823 OG SER A 55 17.006 1.237 13.866 1.00 0.00 O ATOM 0 H SER A 55 15.364 1.444 10.339 1.00 0.00 H new ATOM 0 HA SER A 55 17.102 3.135 11.965 1.00 0.00 H new ATOM 0 HB2 SER A 55 15.246 1.806 12.943 1.00 0.00 H new ATOM 0 HB3 SER A 55 15.954 0.322 12.339 1.00 0.00 H new ATOM 0 HG SER A 55 16.534 0.731 14.560 1.00 0.00 H new ATOM 829 N GLU A 56 18.384 0.684 10.291 1.00 0.00 N ATOM 830 CA GLU A 56 19.684 0.021 9.980 1.00 0.00 C ATOM 831 C GLU A 56 20.605 1.024 9.273 1.00 0.00 C ATOM 832 O GLU A 56 20.298 1.539 8.215 1.00 0.00 O ATOM 833 CB GLU A 56 19.439 -1.192 9.080 1.00 0.00 C ATOM 834 CG GLU A 56 18.965 -2.378 9.926 1.00 0.00 C ATOM 835 CD GLU A 56 20.145 -2.943 10.719 1.00 0.00 C ATOM 836 OE1 GLU A 56 21.178 -3.185 10.116 1.00 0.00 O ATOM 837 OE2 GLU A 56 19.995 -3.126 11.915 1.00 0.00 O ATOM 0 H GLU A 56 17.627 0.490 9.635 1.00 0.00 H new ATOM 0 HA GLU A 56 20.157 -0.314 10.903 1.00 0.00 H new ATOM 0 HB2 GLU A 56 18.691 -0.951 8.324 1.00 0.00 H new ATOM 0 HB3 GLU A 56 20.355 -1.454 8.550 1.00 0.00 H new ATOM 0 HG2 GLU A 56 18.175 -2.060 10.606 1.00 0.00 H new ATOM 0 HG3 GLU A 56 18.542 -3.150 9.284 1.00 0.00 H new ATOM 844 N SER A 57 21.723 1.308 9.875 1.00 0.00 N ATOM 845 CA SER A 57 22.682 2.285 9.289 1.00 0.00 C ATOM 846 C SER A 57 22.976 1.971 7.819 1.00 0.00 C ATOM 847 O SER A 57 23.113 2.867 7.009 1.00 0.00 O ATOM 848 CB SER A 57 23.989 2.242 10.081 1.00 0.00 C ATOM 849 OG SER A 57 25.029 2.823 9.306 1.00 0.00 O ATOM 0 H SER A 57 22.018 0.899 10.762 1.00 0.00 H new ATOM 0 HA SER A 57 22.233 3.277 9.343 1.00 0.00 H new ATOM 0 HB2 SER A 57 23.876 2.782 11.021 1.00 0.00 H new ATOM 0 HB3 SER A 57 24.240 1.212 10.334 1.00 0.00 H new ATOM 0 HG SER A 57 25.868 2.798 9.813 1.00 0.00 H new ATOM 855 N TRP A 58 23.103 0.722 7.458 1.00 0.00 N ATOM 856 CA TRP A 58 23.417 0.413 6.035 1.00 0.00 C ATOM 857 C TRP A 58 22.297 0.930 5.138 1.00 0.00 C ATOM 858 O TRP A 58 22.528 1.337 4.021 1.00 0.00 O ATOM 859 CB TRP A 58 23.643 -1.093 5.836 1.00 0.00 C ATOM 860 CG TRP A 58 22.354 -1.854 5.822 1.00 0.00 C ATOM 861 CD1 TRP A 58 21.912 -2.638 6.832 1.00 0.00 C ATOM 862 CD2 TRP A 58 21.357 -1.954 4.761 1.00 0.00 C ATOM 863 NE1 TRP A 58 20.710 -3.214 6.463 1.00 0.00 N ATOM 864 CE2 TRP A 58 20.320 -2.821 5.202 1.00 0.00 C ATOM 865 CE3 TRP A 58 21.246 -1.384 3.470 1.00 0.00 C ATOM 866 CZ2 TRP A 58 19.212 -3.111 4.393 1.00 0.00 C ATOM 867 CZ3 TRP A 58 20.131 -1.673 2.654 1.00 0.00 C ATOM 868 CH2 TRP A 58 19.117 -2.534 3.116 1.00 0.00 C ATOM 0 H TRP A 58 23.005 -0.084 8.075 1.00 0.00 H new ATOM 0 HA TRP A 58 24.343 0.917 5.759 1.00 0.00 H new ATOM 0 HB2 TRP A 58 24.173 -1.260 4.898 1.00 0.00 H new ATOM 0 HB3 TRP A 58 24.280 -1.473 6.634 1.00 0.00 H new ATOM 0 HD1 TRP A 58 22.417 -2.790 7.775 1.00 0.00 H new ATOM 0 HE1 TRP A 58 20.177 -3.853 7.053 1.00 0.00 H new ATOM 0 HE3 TRP A 58 22.020 -0.724 3.107 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 18.437 -3.773 4.749 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 20.055 -1.232 1.671 1.00 0.00 H new ATOM 0 HH2 TRP A 58 18.266 -2.751 2.488 1.00 0.00 H new ATOM 879 N VAL A 59 21.092 0.952 5.620 1.00 0.00 N ATOM 880 CA VAL A 59 19.987 1.473 4.777 1.00 0.00 C ATOM 881 C VAL A 59 20.254 2.945 4.504 1.00 0.00 C ATOM 882 O VAL A 59 20.129 3.416 3.392 1.00 0.00 O ATOM 883 CB VAL A 59 18.663 1.308 5.519 1.00 0.00 C ATOM 884 CG1 VAL A 59 17.521 1.898 4.687 1.00 0.00 C ATOM 885 CG2 VAL A 59 18.421 -0.181 5.749 1.00 0.00 C ATOM 0 H VAL A 59 20.824 0.635 6.552 1.00 0.00 H new ATOM 0 HA VAL A 59 19.930 0.926 3.836 1.00 0.00 H new ATOM 0 HB VAL A 59 18.703 1.832 6.474 1.00 0.00 H new ATOM 0 HG11 VAL A 59 16.580 1.776 5.223 1.00 0.00 H new ATOM 0 HG12 VAL A 59 17.706 2.958 4.515 1.00 0.00 H new ATOM 0 HG13 VAL A 59 17.463 1.380 3.730 1.00 0.00 H new ATOM 0 HG21 VAL A 59 17.478 -0.319 6.279 1.00 0.00 H new ATOM 0 HG22 VAL A 59 18.376 -0.695 4.789 1.00 0.00 H new ATOM 0 HG23 VAL A 59 19.235 -0.594 6.344 1.00 0.00 H new ATOM 895 N GLN A 60 20.648 3.673 5.506 1.00 0.00 N ATOM 896 CA GLN A 60 20.953 5.113 5.294 1.00 0.00 C ATOM 897 C GLN A 60 22.159 5.229 4.356 1.00 0.00 C ATOM 898 O GLN A 60 22.228 6.106 3.518 1.00 0.00 O ATOM 899 CB GLN A 60 21.272 5.773 6.642 1.00 0.00 C ATOM 900 CG GLN A 60 21.818 7.194 6.424 1.00 0.00 C ATOM 901 CD GLN A 60 23.323 7.143 6.139 1.00 0.00 C ATOM 902 OE1 GLN A 60 23.786 7.686 5.155 1.00 0.00 O ATOM 903 NE2 GLN A 60 24.109 6.507 6.964 1.00 0.00 N ATOM 0 H GLN A 60 20.772 3.336 6.461 1.00 0.00 H new ATOM 0 HA GLN A 60 20.094 5.616 4.849 1.00 0.00 H new ATOM 0 HB2 GLN A 60 20.373 5.812 7.257 1.00 0.00 H new ATOM 0 HB3 GLN A 60 22.004 5.174 7.184 1.00 0.00 H new ATOM 0 HG2 GLN A 60 21.298 7.668 5.591 1.00 0.00 H new ATOM 0 HG3 GLN A 60 21.628 7.804 7.307 1.00 0.00 H new ATOM 0 HE21 GLN A 60 23.720 6.051 7.790 1.00 0.00 H new ATOM 0 HE22 GLN A 60 25.112 6.466 6.783 1.00 0.00 H new ATOM 912 N GLU A 61 23.111 4.347 4.498 1.00 0.00 N ATOM 913 CA GLU A 61 24.321 4.393 3.626 1.00 0.00 C ATOM 914 C GLU A 61 23.935 4.117 2.171 1.00 0.00 C ATOM 915 O GLU A 61 24.271 4.867 1.277 1.00 0.00 O ATOM 916 CB GLU A 61 25.324 3.337 4.095 1.00 0.00 C ATOM 917 CG GLU A 61 26.685 3.601 3.448 1.00 0.00 C ATOM 918 CD GLU A 61 27.338 4.815 4.111 1.00 0.00 C ATOM 919 OE1 GLU A 61 27.917 4.646 5.172 1.00 0.00 O ATOM 920 OE2 GLU A 61 27.249 5.893 3.546 1.00 0.00 O ATOM 0 H GLU A 61 23.103 3.592 5.184 1.00 0.00 H new ATOM 0 HA GLU A 61 24.769 5.384 3.692 1.00 0.00 H new ATOM 0 HB2 GLU A 61 25.415 3.364 5.181 1.00 0.00 H new ATOM 0 HB3 GLU A 61 24.970 2.341 3.829 1.00 0.00 H new ATOM 0 HG2 GLU A 61 27.326 2.726 3.555 1.00 0.00 H new ATOM 0 HG3 GLU A 61 26.563 3.778 2.379 1.00 0.00 H new ATOM 927 N TYR A 62 23.234 3.044 1.926 1.00 0.00 N ATOM 928 CA TYR A 62 22.833 2.721 0.525 1.00 0.00 C ATOM 929 C TYR A 62 21.953 3.846 -0.030 1.00 0.00 C ATOM 930 O TYR A 62 22.034 4.188 -1.194 1.00 0.00 O ATOM 931 CB TYR A 62 22.052 1.395 0.501 1.00 0.00 C ATOM 932 CG TYR A 62 23.007 0.213 0.511 1.00 0.00 C ATOM 933 CD1 TYR A 62 23.956 0.070 1.543 1.00 0.00 C ATOM 934 CD2 TYR A 62 22.937 -0.755 -0.514 1.00 0.00 C ATOM 935 CE1 TYR A 62 24.832 -1.034 1.549 1.00 0.00 C ATOM 936 CE2 TYR A 62 23.812 -1.855 -0.508 1.00 0.00 C ATOM 937 CZ TYR A 62 24.760 -1.995 0.523 1.00 0.00 C ATOM 938 OH TYR A 62 25.619 -3.076 0.526 1.00 0.00 O ATOM 0 H TYR A 62 22.922 2.378 2.632 1.00 0.00 H new ATOM 0 HA TYR A 62 23.727 2.623 -0.091 1.00 0.00 H new ATOM 0 HB2 TYR A 62 21.389 1.341 1.364 1.00 0.00 H new ATOM 0 HB3 TYR A 62 21.422 1.353 -0.388 1.00 0.00 H new ATOM 0 HD1 TYR A 62 24.012 0.807 2.330 1.00 0.00 H new ATOM 0 HD2 TYR A 62 22.209 -0.650 -1.305 1.00 0.00 H new ATOM 0 HE1 TYR A 62 25.558 -1.143 2.341 1.00 0.00 H new ATOM 0 HE2 TYR A 62 23.757 -2.593 -1.295 1.00 0.00 H new ATOM 0 HH TYR A 62 25.434 -3.643 -0.252 1.00 0.00 H new ATOM 948 N VAL A 63 21.121 4.433 0.786 1.00 0.00 N ATOM 949 CA VAL A 63 20.259 5.537 0.289 1.00 0.00 C ATOM 950 C VAL A 63 21.155 6.709 -0.082 1.00 0.00 C ATOM 951 O VAL A 63 20.959 7.369 -1.080 1.00 0.00 O ATOM 952 CB VAL A 63 19.279 5.956 1.391 1.00 0.00 C ATOM 953 CG1 VAL A 63 18.577 7.259 0.997 1.00 0.00 C ATOM 954 CG2 VAL A 63 18.233 4.855 1.585 1.00 0.00 C ATOM 0 H VAL A 63 21.003 4.196 1.771 1.00 0.00 H new ATOM 0 HA VAL A 63 19.689 5.213 -0.582 1.00 0.00 H new ATOM 0 HB VAL A 63 19.828 6.111 2.320 1.00 0.00 H new ATOM 0 HG11 VAL A 63 17.882 7.551 1.785 1.00 0.00 H new ATOM 0 HG12 VAL A 63 19.320 8.045 0.859 1.00 0.00 H new ATOM 0 HG13 VAL A 63 18.029 7.110 0.067 1.00 0.00 H new ATOM 0 HG21 VAL A 63 17.535 5.150 2.368 1.00 0.00 H new ATOM 0 HG22 VAL A 63 17.689 4.702 0.653 1.00 0.00 H new ATOM 0 HG23 VAL A 63 18.729 3.928 1.872 1.00 0.00 H new ATOM 964 N TYR A 64 22.145 6.964 0.721 1.00 0.00 N ATOM 965 CA TYR A 64 23.065 8.087 0.429 1.00 0.00 C ATOM 966 C TYR A 64 23.778 7.818 -0.893 1.00 0.00 C ATOM 967 O TYR A 64 23.929 8.690 -1.723 1.00 0.00 O ATOM 968 CB TYR A 64 24.097 8.197 1.556 1.00 0.00 C ATOM 969 CG TYR A 64 24.746 9.564 1.525 1.00 0.00 C ATOM 970 CD1 TYR A 64 24.047 10.685 2.012 1.00 0.00 C ATOM 971 CD2 TYR A 64 26.048 9.715 1.011 1.00 0.00 C ATOM 972 CE1 TYR A 64 24.649 11.957 1.984 1.00 0.00 C ATOM 973 CE2 TYR A 64 26.651 10.987 0.983 1.00 0.00 C ATOM 974 CZ TYR A 64 25.952 12.108 1.469 1.00 0.00 C ATOM 975 OH TYR A 64 26.543 13.355 1.442 1.00 0.00 O ATOM 0 H TYR A 64 22.356 6.440 1.570 1.00 0.00 H new ATOM 0 HA TYR A 64 22.504 9.019 0.357 1.00 0.00 H new ATOM 0 HB2 TYR A 64 23.615 8.035 2.520 1.00 0.00 H new ATOM 0 HB3 TYR A 64 24.855 7.422 1.444 1.00 0.00 H new ATOM 0 HD1 TYR A 64 23.049 10.569 2.407 1.00 0.00 H new ATOM 0 HD2 TYR A 64 26.584 8.855 0.638 1.00 0.00 H new ATOM 0 HE1 TYR A 64 24.113 12.817 2.357 1.00 0.00 H new ATOM 0 HE2 TYR A 64 27.650 11.103 0.589 1.00 0.00 H new ATOM 0 HH TYR A 64 27.441 13.283 1.057 1.00 0.00 H new ATOM 985 N ASP A 65 24.216 6.610 -1.087 1.00 0.00 N ATOM 986 CA ASP A 65 24.926 6.260 -2.347 1.00 0.00 C ATOM 987 C ASP A 65 23.987 6.462 -3.540 1.00 0.00 C ATOM 988 O ASP A 65 24.401 6.855 -4.612 1.00 0.00 O ATOM 989 CB ASP A 65 25.366 4.793 -2.282 1.00 0.00 C ATOM 990 CG ASP A 65 26.624 4.668 -1.420 1.00 0.00 C ATOM 991 OD1 ASP A 65 26.603 5.156 -0.301 1.00 0.00 O ATOM 992 OD2 ASP A 65 27.587 4.087 -1.893 1.00 0.00 O ATOM 0 H ASP A 65 24.113 5.843 -0.423 1.00 0.00 H new ATOM 0 HA ASP A 65 25.799 6.901 -2.467 1.00 0.00 H new ATOM 0 HB2 ASP A 65 24.566 4.182 -1.865 1.00 0.00 H new ATOM 0 HB3 ASP A 65 25.563 4.418 -3.286 1.00 0.00 H new ATOM 997 N LEU A 66 22.726 6.194 -3.360 1.00 0.00 N ATOM 998 CA LEU A 66 21.754 6.364 -4.475 1.00 0.00 C ATOM 999 C LEU A 66 21.527 7.857 -4.732 1.00 0.00 C ATOM 1000 O LEU A 66 21.258 8.272 -5.841 1.00 0.00 O ATOM 1001 CB LEU A 66 20.431 5.691 -4.083 1.00 0.00 C ATOM 1002 CG LEU A 66 20.518 4.168 -4.321 1.00 0.00 C ATOM 1003 CD1 LEU A 66 19.470 3.452 -3.465 1.00 0.00 C ATOM 1004 CD2 LEU A 66 20.246 3.839 -5.798 1.00 0.00 C ATOM 0 H LEU A 66 22.323 5.862 -2.483 1.00 0.00 H new ATOM 0 HA LEU A 66 22.142 5.905 -5.384 1.00 0.00 H new ATOM 0 HB2 LEU A 66 20.209 5.891 -3.035 1.00 0.00 H new ATOM 0 HB3 LEU A 66 19.613 6.112 -4.668 1.00 0.00 H new ATOM 0 HG LEU A 66 21.520 3.835 -4.051 1.00 0.00 H new ATOM 0 HD11 LEU A 66 19.534 2.377 -3.635 1.00 0.00 H new ATOM 0 HD12 LEU A 66 19.654 3.664 -2.412 1.00 0.00 H new ATOM 0 HD13 LEU A 66 18.475 3.804 -3.738 1.00 0.00 H new ATOM 0 HD21 LEU A 66 20.311 2.761 -5.949 1.00 0.00 H new ATOM 0 HD22 LEU A 66 19.248 4.184 -6.070 1.00 0.00 H new ATOM 0 HD23 LEU A 66 20.985 4.338 -6.424 1.00 0.00 H new ATOM 1016 N GLU A 67 21.638 8.665 -3.717 1.00 0.00 N ATOM 1017 CA GLU A 67 21.436 10.131 -3.904 1.00 0.00 C ATOM 1018 C GLU A 67 22.632 10.709 -4.654 1.00 0.00 C ATOM 1019 O GLU A 67 22.527 11.699 -5.350 1.00 0.00 O ATOM 1020 CB GLU A 67 21.323 10.806 -2.538 1.00 0.00 C ATOM 1021 CG GLU A 67 19.982 10.445 -1.908 1.00 0.00 C ATOM 1022 CD GLU A 67 19.800 11.224 -0.604 1.00 0.00 C ATOM 1023 OE1 GLU A 67 20.791 11.447 0.074 1.00 0.00 O ATOM 1024 OE2 GLU A 67 18.674 11.586 -0.304 1.00 0.00 O ATOM 0 H GLU A 67 21.860 8.376 -2.764 1.00 0.00 H new ATOM 0 HA GLU A 67 20.523 10.306 -4.474 1.00 0.00 H new ATOM 0 HB2 GLU A 67 22.140 10.485 -1.892 1.00 0.00 H new ATOM 0 HB3 GLU A 67 21.408 11.887 -2.646 1.00 0.00 H new ATOM 0 HG2 GLU A 67 19.171 10.677 -2.598 1.00 0.00 H new ATOM 0 HG3 GLU A 67 19.938 9.374 -1.712 1.00 0.00 H new ATOM 1116 N SER B 5 10.804 -9.511 -3.567 1.00 0.00 N ATOM 1117 CA SER B 5 11.379 -9.961 -2.265 1.00 0.00 C ATOM 1118 C SER B 5 10.410 -9.608 -1.121 1.00 0.00 C ATOM 1119 O SER B 5 9.866 -10.477 -0.469 1.00 0.00 O ATOM 1120 CB SER B 5 12.750 -9.296 -2.052 1.00 0.00 C ATOM 1121 OG SER B 5 13.722 -10.305 -1.815 1.00 0.00 O ATOM 0 HA SER B 5 11.517 -11.042 -2.275 1.00 0.00 H new ATOM 0 HB2 SER B 5 13.023 -8.708 -2.928 1.00 0.00 H new ATOM 0 HB3 SER B 5 12.708 -8.608 -1.207 1.00 0.00 H new ATOM 0 HG SER B 5 14.599 -9.889 -1.680 1.00 0.00 H new ATOM 1127 N ASP B 6 10.188 -8.341 -0.876 1.00 0.00 N ATOM 1128 CA ASP B 6 9.248 -7.942 0.221 1.00 0.00 C ATOM 1129 C ASP B 6 8.722 -6.519 -0.039 1.00 0.00 C ATOM 1130 O ASP B 6 9.069 -5.600 0.676 1.00 0.00 O ATOM 1131 CB ASP B 6 9.983 -7.975 1.574 1.00 0.00 C ATOM 1132 CG ASP B 6 8.963 -8.062 2.713 1.00 0.00 C ATOM 1133 OD1 ASP B 6 8.474 -9.152 2.961 1.00 0.00 O ATOM 1134 OD2 ASP B 6 8.687 -7.038 3.315 1.00 0.00 O ATOM 0 H ASP B 6 10.614 -7.567 -1.385 1.00 0.00 H new ATOM 0 HA ASP B 6 8.412 -8.640 0.246 1.00 0.00 H new ATOM 0 HB2 ASP B 6 10.658 -8.830 1.611 1.00 0.00 H new ATOM 0 HB3 ASP B 6 10.595 -7.080 1.688 1.00 0.00 H new ATOM 1139 N PRO B 7 7.902 -6.367 -1.057 1.00 0.00 N ATOM 1140 CA PRO B 7 7.342 -5.046 -1.403 1.00 0.00 C ATOM 1141 C PRO B 7 6.422 -4.549 -0.265 1.00 0.00 C ATOM 1142 O PRO B 7 6.081 -5.311 0.617 1.00 0.00 O ATOM 1143 CB PRO B 7 6.548 -5.283 -2.712 1.00 0.00 C ATOM 1144 CG PRO B 7 6.645 -6.801 -3.051 1.00 0.00 C ATOM 1145 CD PRO B 7 7.476 -7.476 -1.938 1.00 0.00 C ATOM 0 HA PRO B 7 8.108 -4.282 -1.535 1.00 0.00 H new ATOM 0 HB2 PRO B 7 5.507 -4.984 -2.589 1.00 0.00 H new ATOM 0 HB3 PRO B 7 6.958 -4.682 -3.523 1.00 0.00 H new ATOM 0 HG2 PRO B 7 5.651 -7.245 -3.109 1.00 0.00 H new ATOM 0 HG3 PRO B 7 7.117 -6.947 -4.023 1.00 0.00 H new ATOM 0 HD2 PRO B 7 6.883 -8.209 -1.392 1.00 0.00 H new ATOM 0 HD3 PRO B 7 8.335 -8.005 -2.351 1.00 0.00 H new ATOM 1153 N PRO B 8 6.041 -3.286 -0.317 1.00 0.00 N ATOM 1154 CA PRO B 8 5.157 -2.698 0.711 1.00 0.00 C ATOM 1155 C PRO B 8 3.791 -3.405 0.698 1.00 0.00 C ATOM 1156 O PRO B 8 3.659 -4.513 0.219 1.00 0.00 O ATOM 1157 CB PRO B 8 5.021 -1.208 0.312 1.00 0.00 C ATOM 1158 CG PRO B 8 5.713 -1.033 -1.071 1.00 0.00 C ATOM 1159 CD PRO B 8 6.455 -2.350 -1.385 1.00 0.00 C ATOM 0 HA PRO B 8 5.553 -2.808 1.720 1.00 0.00 H new ATOM 0 HB2 PRO B 8 3.971 -0.920 0.255 1.00 0.00 H new ATOM 0 HB3 PRO B 8 5.488 -0.566 1.059 1.00 0.00 H new ATOM 0 HG2 PRO B 8 4.976 -0.814 -1.844 1.00 0.00 H new ATOM 0 HG3 PRO B 8 6.410 -0.195 -1.048 1.00 0.00 H new ATOM 0 HD2 PRO B 8 6.184 -2.730 -2.370 1.00 0.00 H new ATOM 0 HD3 PRO B 8 7.535 -2.204 -1.385 1.00 0.00 H new ATOM 1167 N THR B 9 2.776 -2.764 1.218 1.00 0.00 N ATOM 1168 CA THR B 9 1.419 -3.387 1.237 1.00 0.00 C ATOM 1169 C THR B 9 0.355 -2.290 1.259 1.00 0.00 C ATOM 1170 O THR B 9 0.371 -1.408 2.096 1.00 0.00 O ATOM 1171 CB THR B 9 1.277 -4.259 2.486 1.00 0.00 C ATOM 1172 OG1 THR B 9 2.428 -5.082 2.618 1.00 0.00 O ATOM 1173 CG2 THR B 9 0.029 -5.137 2.363 1.00 0.00 C ATOM 0 H THR B 9 2.829 -1.833 1.631 1.00 0.00 H new ATOM 0 HA THR B 9 1.289 -4.002 0.347 1.00 0.00 H new ATOM 0 HB THR B 9 1.181 -3.622 3.365 1.00 0.00 H new ATOM 0 HG1 THR B 9 2.442 -5.484 3.511 1.00 0.00 H new ATOM 0 HG21 THR B 9 -0.069 -5.757 3.254 1.00 0.00 H new ATOM 0 HG22 THR B 9 -0.853 -4.504 2.262 1.00 0.00 H new ATOM 0 HG23 THR B 9 0.119 -5.776 1.485 1.00 0.00 H new ATOM 1181 N ALA B 10 -0.566 -2.339 0.340 1.00 0.00 N ATOM 1182 CA ALA B 10 -1.635 -1.305 0.291 1.00 0.00 C ATOM 1183 C ALA B 10 -2.568 -1.459 1.493 1.00 0.00 C ATOM 1184 O ALA B 10 -3.617 -2.066 1.399 1.00 0.00 O ATOM 1185 CB ALA B 10 -2.438 -1.480 -0.998 1.00 0.00 C ATOM 0 H ALA B 10 -0.625 -3.055 -0.384 1.00 0.00 H new ATOM 0 HA ALA B 10 -1.181 -0.314 0.317 1.00 0.00 H new ATOM 0 HB1 ALA B 10 -3.224 -0.726 -1.042 1.00 0.00 H new ATOM 0 HB2 ALA B 10 -1.777 -1.366 -1.857 1.00 0.00 H new ATOM 0 HB3 ALA B 10 -2.887 -2.473 -1.015 1.00 0.00 H new ATOM 1191 N CYS B 11 -2.199 -0.901 2.617 1.00 0.00 N ATOM 1192 CA CYS B 11 -3.062 -0.990 3.839 1.00 0.00 C ATOM 1193 C CYS B 11 -3.662 0.390 4.112 1.00 0.00 C ATOM 1194 O CYS B 11 -2.985 1.396 4.037 1.00 0.00 O ATOM 1195 CB CYS B 11 -2.209 -1.428 5.032 1.00 0.00 C ATOM 1196 SG CYS B 11 -1.240 -2.889 4.574 1.00 0.00 S ATOM 0 H CYS B 11 -1.330 -0.383 2.744 1.00 0.00 H new ATOM 0 HA CYS B 11 -3.859 -1.717 3.686 1.00 0.00 H new ATOM 0 HB2 CYS B 11 -1.545 -0.618 5.336 1.00 0.00 H new ATOM 0 HB3 CYS B 11 -2.847 -1.654 5.886 1.00 0.00 H new ATOM 1201 N CYS B 12 -4.930 0.453 4.416 1.00 0.00 N ATOM 1202 CA CYS B 12 -5.565 1.774 4.678 1.00 0.00 C ATOM 1203 C CYS B 12 -5.095 2.319 6.027 1.00 0.00 C ATOM 1204 O CYS B 12 -4.924 1.585 6.981 1.00 0.00 O ATOM 1205 CB CYS B 12 -7.090 1.620 4.696 1.00 0.00 C ATOM 1206 SG CYS B 12 -7.663 1.061 3.073 1.00 0.00 S ATOM 0 H CYS B 12 -5.552 -0.352 4.494 1.00 0.00 H new ATOM 0 HA CYS B 12 -5.278 2.468 3.888 1.00 0.00 H new ATOM 0 HB2 CYS B 12 -7.384 0.904 5.463 1.00 0.00 H new ATOM 0 HB3 CYS B 12 -7.559 2.571 4.951 1.00 0.00 H new ATOM 1211 N PHE B 13 -4.893 3.610 6.112 1.00 0.00 N ATOM 1212 CA PHE B 13 -4.444 4.233 7.395 1.00 0.00 C ATOM 1213 C PHE B 13 -5.646 4.921 8.046 1.00 0.00 C ATOM 1214 O PHE B 13 -5.656 5.204 9.228 1.00 0.00 O ATOM 1215 CB PHE B 13 -3.358 5.273 7.097 1.00 0.00 C ATOM 1216 CG PHE B 13 -3.965 6.415 6.318 1.00 0.00 C ATOM 1217 CD1 PHE B 13 -4.225 6.266 4.944 1.00 0.00 C ATOM 1218 CD2 PHE B 13 -4.284 7.621 6.971 1.00 0.00 C ATOM 1219 CE1 PHE B 13 -4.802 7.324 4.220 1.00 0.00 C ATOM 1220 CE2 PHE B 13 -4.863 8.680 6.248 1.00 0.00 C ATOM 1221 CZ PHE B 13 -5.122 8.532 4.871 1.00 0.00 C ATOM 0 H PHE B 13 -5.021 4.265 5.340 1.00 0.00 H new ATOM 0 HA PHE B 13 -4.041 3.473 8.065 1.00 0.00 H new ATOM 0 HB2 PHE B 13 -2.925 5.641 8.027 1.00 0.00 H new ATOM 0 HB3 PHE B 13 -2.548 4.818 6.527 1.00 0.00 H new ATOM 0 HD1 PHE B 13 -3.982 5.339 4.445 1.00 0.00 H new ATOM 0 HD2 PHE B 13 -4.084 7.733 8.026 1.00 0.00 H new ATOM 0 HE1 PHE B 13 -5.000 7.211 3.164 1.00 0.00 H new ATOM 0 HE2 PHE B 13 -5.109 9.605 6.748 1.00 0.00 H new ATOM 0 HZ PHE B 13 -5.566 9.344 4.315 1.00 0.00 H new ATOM 1231 N SER B 14 -6.659 5.189 7.267 1.00 0.00 N ATOM 1232 CA SER B 14 -7.877 5.857 7.804 1.00 0.00 C ATOM 1233 C SER B 14 -9.065 5.492 6.914 1.00 0.00 C ATOM 1234 O SER B 14 -9.040 4.499 6.215 1.00 0.00 O ATOM 1235 CB SER B 14 -7.676 7.374 7.795 1.00 0.00 C ATOM 1236 OG SER B 14 -7.409 7.804 6.467 1.00 0.00 O ATOM 0 H SER B 14 -6.694 4.971 6.271 1.00 0.00 H new ATOM 0 HA SER B 14 -8.062 5.529 8.827 1.00 0.00 H new ATOM 0 HB2 SER B 14 -8.566 7.873 8.179 1.00 0.00 H new ATOM 0 HB3 SER B 14 -6.849 7.647 8.451 1.00 0.00 H new ATOM 0 HG SER B 14 -6.465 7.648 6.256 1.00 0.00 H new ATOM 1242 N TYR B 15 -10.112 6.275 6.932 1.00 0.00 N ATOM 1243 CA TYR B 15 -11.298 5.946 6.083 1.00 0.00 C ATOM 1244 C TYR B 15 -12.077 7.224 5.770 1.00 0.00 C ATOM 1245 O TYR B 15 -11.909 8.239 6.414 1.00 0.00 O ATOM 1246 CB TYR B 15 -12.211 4.969 6.837 1.00 0.00 C ATOM 1247 CG TYR B 15 -11.370 3.961 7.583 1.00 0.00 C ATOM 1248 CD1 TYR B 15 -10.944 4.240 8.896 1.00 0.00 C ATOM 1249 CD2 TYR B 15 -11.011 2.747 6.968 1.00 0.00 C ATOM 1250 CE1 TYR B 15 -10.157 3.304 9.594 1.00 0.00 C ATOM 1251 CE2 TYR B 15 -10.224 1.812 7.667 1.00 0.00 C ATOM 1252 CZ TYR B 15 -9.796 2.090 8.979 1.00 0.00 C ATOM 1253 OH TYR B 15 -9.024 1.173 9.662 1.00 0.00 O ATOM 0 H TYR B 15 -10.198 7.122 7.493 1.00 0.00 H new ATOM 0 HA TYR B 15 -10.959 5.489 5.153 1.00 0.00 H new ATOM 0 HB2 TYR B 15 -12.847 5.514 7.535 1.00 0.00 H new ATOM 0 HB3 TYR B 15 -12.872 4.459 6.136 1.00 0.00 H new ATOM 0 HD1 TYR B 15 -11.221 5.171 9.367 1.00 0.00 H new ATOM 0 HD2 TYR B 15 -11.339 2.533 5.961 1.00 0.00 H new ATOM 0 HE1 TYR B 15 -9.830 3.517 10.601 1.00 0.00 H new ATOM 0 HE2 TYR B 15 -9.948 0.880 7.196 1.00 0.00 H new ATOM 0 HH TYR B 15 -8.867 0.390 9.094 1.00 0.00 H new ATOM 1263 N THR B 16 -12.939 7.175 4.791 1.00 0.00 N ATOM 1264 CA THR B 16 -13.739 8.385 4.453 1.00 0.00 C ATOM 1265 C THR B 16 -14.577 8.770 5.677 1.00 0.00 C ATOM 1266 O THR B 16 -14.235 8.436 6.795 1.00 0.00 O ATOM 1267 CB THR B 16 -14.635 8.090 3.242 1.00 0.00 C ATOM 1268 OG1 THR B 16 -15.475 9.206 2.985 1.00 0.00 O ATOM 1269 CG2 THR B 16 -15.492 6.854 3.512 1.00 0.00 C ATOM 0 H THR B 16 -13.123 6.354 4.214 1.00 0.00 H new ATOM 0 HA THR B 16 -13.084 9.216 4.192 1.00 0.00 H new ATOM 0 HB THR B 16 -14.005 7.903 2.373 1.00 0.00 H new ATOM 0 HG1 THR B 16 -16.044 9.015 2.211 1.00 0.00 H new ATOM 0 HG21 THR B 16 -16.124 6.653 2.647 1.00 0.00 H new ATOM 0 HG22 THR B 16 -14.845 5.996 3.696 1.00 0.00 H new ATOM 0 HG23 THR B 16 -16.119 7.030 4.386 1.00 0.00 H new ATOM 1277 N ALA B 17 -15.663 9.473 5.492 1.00 0.00 N ATOM 1278 CA ALA B 17 -16.501 9.873 6.664 1.00 0.00 C ATOM 1279 C ALA B 17 -17.973 9.904 6.259 1.00 0.00 C ATOM 1280 O ALA B 17 -18.822 10.346 7.008 1.00 0.00 O ATOM 1281 CB ALA B 17 -16.076 11.266 7.131 1.00 0.00 C ATOM 0 H ALA B 17 -16.006 9.787 4.584 1.00 0.00 H new ATOM 0 HA ALA B 17 -16.365 9.153 7.471 1.00 0.00 H new ATOM 0 HB1 ALA B 17 -16.683 11.564 7.986 1.00 0.00 H new ATOM 0 HB2 ALA B 17 -15.025 11.248 7.421 1.00 0.00 H new ATOM 0 HB3 ALA B 17 -16.216 11.980 6.320 1.00 0.00 H new ATOM 1287 N ARG B 18 -18.287 9.441 5.078 1.00 0.00 N ATOM 1288 CA ARG B 18 -19.709 9.446 4.617 1.00 0.00 C ATOM 1289 C ARG B 18 -19.989 8.182 3.801 1.00 0.00 C ATOM 1290 O ARG B 18 -19.194 7.772 2.979 1.00 0.00 O ATOM 1291 CB ARG B 18 -19.952 10.680 3.742 1.00 0.00 C ATOM 1292 CG ARG B 18 -20.118 11.916 4.628 1.00 0.00 C ATOM 1293 CD ARG B 18 -20.041 13.173 3.763 1.00 0.00 C ATOM 1294 NE ARG B 18 -20.526 14.345 4.544 1.00 0.00 N ATOM 1295 CZ ARG B 18 -20.278 15.556 4.125 1.00 0.00 C ATOM 1296 NH1 ARG B 18 -19.605 15.740 3.022 1.00 0.00 N ATOM 1297 NH2 ARG B 18 -20.703 16.583 4.809 1.00 0.00 N ATOM 0 H ARG B 18 -17.618 9.058 4.410 1.00 0.00 H new ATOM 0 HA ARG B 18 -20.372 9.472 5.482 1.00 0.00 H new ATOM 0 HB2 ARG B 18 -19.117 10.822 3.056 1.00 0.00 H new ATOM 0 HB3 ARG B 18 -20.844 10.535 3.132 1.00 0.00 H new ATOM 0 HG2 ARG B 18 -21.074 11.878 5.149 1.00 0.00 H new ATOM 0 HG3 ARG B 18 -19.340 11.938 5.391 1.00 0.00 H new ATOM 0 HD2 ARG B 18 -19.015 13.340 3.436 1.00 0.00 H new ATOM 0 HD3 ARG B 18 -20.645 13.046 2.864 1.00 0.00 H new ATOM 0 HE ARG B 18 -21.052 14.201 5.406 1.00 0.00 H new ATOM 0 HH11 ARG B 18 -19.273 14.937 2.487 1.00 0.00 H new ATOM 0 HH12 ARG B 18 -19.411 16.686 2.695 1.00 0.00 H new ATOM 0 HH21 ARG B 18 -21.229 16.439 5.671 1.00 0.00 H new ATOM 0 HH22 ARG B 18 -20.509 17.529 4.482 1.00 0.00 H new ATOM 1311 N LYS B 19 -21.123 7.570 4.012 1.00 0.00 N ATOM 1312 CA LYS B 19 -21.463 6.344 3.237 1.00 0.00 C ATOM 1313 C LYS B 19 -21.573 6.730 1.759 1.00 0.00 C ATOM 1314 O LYS B 19 -22.259 7.666 1.401 1.00 0.00 O ATOM 1315 CB LYS B 19 -22.801 5.782 3.758 1.00 0.00 C ATOM 1316 CG LYS B 19 -23.305 4.609 2.888 1.00 0.00 C ATOM 1317 CD LYS B 19 -24.804 4.389 3.124 1.00 0.00 C ATOM 1318 CE LYS B 19 -25.093 4.307 4.624 1.00 0.00 C ATOM 1319 NZ LYS B 19 -26.444 3.715 4.838 1.00 0.00 N ATOM 0 H LYS B 19 -21.828 7.866 4.687 1.00 0.00 H new ATOM 0 HA LYS B 19 -20.696 5.578 3.352 1.00 0.00 H new ATOM 0 HB2 LYS B 19 -22.678 5.445 4.787 1.00 0.00 H new ATOM 0 HB3 LYS B 19 -23.549 6.575 3.769 1.00 0.00 H new ATOM 0 HG2 LYS B 19 -23.121 4.821 1.835 1.00 0.00 H new ATOM 0 HG3 LYS B 19 -22.753 3.701 3.131 1.00 0.00 H new ATOM 0 HD2 LYS B 19 -25.374 5.205 2.680 1.00 0.00 H new ATOM 0 HD3 LYS B 19 -25.127 3.471 2.633 1.00 0.00 H new ATOM 0 HE2 LYS B 19 -24.335 3.699 5.118 1.00 0.00 H new ATOM 0 HE3 LYS B 19 -25.045 5.301 5.069 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 -26.641 3.659 5.858 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 -27.161 4.312 4.379 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 -26.474 2.760 4.427 1.00 0.00 H new ATOM 1333 N LEU B 20 -20.901 6.014 0.900 1.00 0.00 N ATOM 1334 CA LEU B 20 -20.968 6.341 -0.551 1.00 0.00 C ATOM 1335 C LEU B 20 -22.343 5.905 -1.110 1.00 0.00 C ATOM 1336 O LEU B 20 -22.714 4.762 -0.927 1.00 0.00 O ATOM 1337 CB LEU B 20 -19.878 5.562 -1.292 1.00 0.00 C ATOM 1338 CG LEU B 20 -18.538 5.697 -0.566 1.00 0.00 C ATOM 1339 CD1 LEU B 20 -17.440 5.076 -1.432 1.00 0.00 C ATOM 1340 CD2 LEU B 20 -18.219 7.177 -0.326 1.00 0.00 C ATOM 0 H LEU B 20 -20.310 5.218 1.140 1.00 0.00 H new ATOM 0 HA LEU B 20 -20.828 7.413 -0.688 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -20.157 4.511 -1.361 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -19.785 5.935 -2.312 1.00 0.00 H new ATOM 0 HG LEU B 20 -18.592 5.185 0.395 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -16.480 5.167 -0.923 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -17.662 4.022 -1.601 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -17.394 5.596 -2.389 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -17.264 7.264 0.191 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -18.163 7.697 -1.282 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -19.004 7.624 0.284 1.00 0.00 H new ATOM 1352 N PRO B 21 -23.069 6.783 -1.787 1.00 0.00 N ATOM 1353 CA PRO B 21 -24.375 6.395 -2.351 1.00 0.00 C ATOM 1354 C PRO B 21 -24.206 5.170 -3.254 1.00 0.00 C ATOM 1355 O PRO B 21 -23.223 5.040 -3.955 1.00 0.00 O ATOM 1356 CB PRO B 21 -24.841 7.620 -3.171 1.00 0.00 C ATOM 1357 CG PRO B 21 -23.839 8.775 -2.886 1.00 0.00 C ATOM 1358 CD PRO B 21 -22.683 8.190 -2.044 1.00 0.00 C ATOM 0 HA PRO B 21 -25.100 6.129 -1.582 1.00 0.00 H new ATOM 0 HB2 PRO B 21 -24.863 7.384 -4.235 1.00 0.00 H new ATOM 0 HB3 PRO B 21 -25.853 7.910 -2.887 1.00 0.00 H new ATOM 0 HG2 PRO B 21 -23.460 9.193 -3.819 1.00 0.00 H new ATOM 0 HG3 PRO B 21 -24.331 9.586 -2.350 1.00 0.00 H new ATOM 0 HD2 PRO B 21 -21.736 8.248 -2.580 1.00 0.00 H new ATOM 0 HD3 PRO B 21 -22.556 8.741 -1.112 1.00 0.00 H new ATOM 1366 N ARG B 22 -25.163 4.285 -3.261 1.00 0.00 N ATOM 1367 CA ARG B 22 -25.053 3.094 -4.145 1.00 0.00 C ATOM 1368 C ARG B 22 -24.721 3.579 -5.562 1.00 0.00 C ATOM 1369 O ARG B 22 -23.995 2.944 -6.300 1.00 0.00 O ATOM 1370 CB ARG B 22 -26.393 2.330 -4.137 1.00 0.00 C ATOM 1371 CG ARG B 22 -26.157 0.832 -4.377 1.00 0.00 C ATOM 1372 CD ARG B 22 -25.374 0.621 -5.677 1.00 0.00 C ATOM 1373 NE ARG B 22 -25.598 -0.768 -6.167 1.00 0.00 N ATOM 1374 CZ ARG B 22 -25.281 -1.086 -7.393 1.00 0.00 C ATOM 1375 NH1 ARG B 22 -24.771 -0.188 -8.190 1.00 0.00 N ATOM 1376 NH2 ARG B 22 -25.476 -2.303 -7.822 1.00 0.00 N ATOM 0 H ARG B 22 -26.011 4.335 -2.696 1.00 0.00 H new ATOM 0 HA ARG B 22 -24.269 2.423 -3.795 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -26.897 2.477 -3.182 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -27.051 2.729 -4.909 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -25.607 0.404 -3.539 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -27.112 0.310 -4.431 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -25.696 1.341 -6.430 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -24.311 0.792 -5.507 1.00 0.00 H new ATOM 0 HE ARG B 22 -25.999 -1.470 -5.545 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -24.620 0.764 -7.856 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -24.524 -0.437 -9.148 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -25.876 -3.005 -7.200 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -25.229 -2.552 -8.780 1.00 0.00 H new ATOM 1390 N ASN B 23 -25.250 4.715 -5.935 1.00 0.00 N ATOM 1391 CA ASN B 23 -24.973 5.266 -7.291 1.00 0.00 C ATOM 1392 C ASN B 23 -23.539 5.800 -7.347 1.00 0.00 C ATOM 1393 O ASN B 23 -23.189 6.567 -8.222 1.00 0.00 O ATOM 1394 CB ASN B 23 -25.952 6.403 -7.590 1.00 0.00 C ATOM 1395 CG ASN B 23 -25.707 6.931 -9.005 1.00 0.00 C ATOM 1396 OD1 ASN B 23 -25.933 6.233 -9.973 1.00 0.00 O ATOM 1397 ND2 ASN B 23 -25.250 8.142 -9.166 1.00 0.00 N ATOM 0 H ASN B 23 -25.865 5.286 -5.355 1.00 0.00 H new ATOM 0 HA ASN B 23 -25.094 4.476 -8.033 1.00 0.00 H new ATOM 0 HB2 ASN B 23 -26.978 6.047 -7.496 1.00 0.00 H new ATOM 0 HB3 ASN B 23 -25.825 7.206 -6.864 1.00 0.00 H new ATOM 0 HD21 ASN B 23 -25.082 8.503 -10.105 1.00 0.00 H new ATOM 0 HD22 ASN B 23 -25.060 8.728 -8.353 1.00 0.00 H new ATOM 1404 N PHE B 24 -22.708 5.409 -6.414 1.00 0.00 N ATOM 1405 CA PHE B 24 -21.293 5.902 -6.404 1.00 0.00 C ATOM 1406 C PHE B 24 -20.369 4.743 -6.015 1.00 0.00 C ATOM 1407 O PHE B 24 -19.308 4.939 -5.459 1.00 0.00 O ATOM 1408 CB PHE B 24 -21.173 7.041 -5.376 1.00 0.00 C ATOM 1409 CG PHE B 24 -19.976 7.919 -5.685 1.00 0.00 C ATOM 1410 CD1 PHE B 24 -19.911 8.617 -6.909 1.00 0.00 C ATOM 1411 CD2 PHE B 24 -18.931 8.052 -4.747 1.00 0.00 C ATOM 1412 CE1 PHE B 24 -18.806 9.441 -7.191 1.00 0.00 C ATOM 1413 CE2 PHE B 24 -17.826 8.877 -5.033 1.00 0.00 C ATOM 1414 CZ PHE B 24 -17.764 9.571 -6.255 1.00 0.00 C ATOM 0 H PHE B 24 -22.947 4.769 -5.657 1.00 0.00 H new ATOM 0 HA PHE B 24 -21.010 6.273 -7.389 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -22.082 7.642 -5.384 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -21.075 6.624 -4.374 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -20.709 8.519 -7.630 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -18.978 7.520 -3.808 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -18.758 9.975 -8.128 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -17.026 8.977 -4.314 1.00 0.00 H new ATOM 0 HZ PHE B 24 -16.917 10.204 -6.475 1.00 0.00 H new ATOM 1424 N VAL B 25 -20.773 3.534 -6.310 1.00 0.00 N ATOM 1425 CA VAL B 25 -19.935 2.346 -5.970 1.00 0.00 C ATOM 1426 C VAL B 25 -20.193 1.246 -7.001 1.00 0.00 C ATOM 1427 O VAL B 25 -21.048 0.402 -6.821 1.00 0.00 O ATOM 1428 CB VAL B 25 -20.312 1.827 -4.581 1.00 0.00 C ATOM 1429 CG1 VAL B 25 -19.378 0.680 -4.191 1.00 0.00 C ATOM 1430 CG2 VAL B 25 -20.182 2.951 -3.553 1.00 0.00 C ATOM 0 H VAL B 25 -21.654 3.318 -6.775 1.00 0.00 H new ATOM 0 HA VAL B 25 -18.882 2.629 -5.977 1.00 0.00 H new ATOM 0 HB VAL B 25 -21.342 1.472 -4.602 1.00 0.00 H new ATOM 0 HG11 VAL B 25 -19.648 0.311 -3.201 1.00 0.00 H new ATOM 0 HG12 VAL B 25 -19.471 -0.128 -4.917 1.00 0.00 H new ATOM 0 HG13 VAL B 25 -18.349 1.038 -4.177 1.00 0.00 H new ATOM 0 HG21 VAL B 25 -20.452 2.575 -2.566 1.00 0.00 H new ATOM 0 HG22 VAL B 25 -19.153 3.311 -3.535 1.00 0.00 H new ATOM 0 HG23 VAL B 25 -20.848 3.770 -3.823 1.00 0.00 H new ATOM 1440 N VAL B 26 -19.465 1.250 -8.085 1.00 0.00 N ATOM 1441 CA VAL B 26 -19.675 0.210 -9.130 1.00 0.00 C ATOM 1442 C VAL B 26 -18.895 -1.050 -8.765 1.00 0.00 C ATOM 1443 O VAL B 26 -19.079 -2.097 -9.353 1.00 0.00 O ATOM 1444 CB VAL B 26 -19.184 0.744 -10.475 1.00 0.00 C ATOM 1445 CG1 VAL B 26 -20.031 1.949 -10.883 1.00 0.00 C ATOM 1446 CG2 VAL B 26 -17.718 1.170 -10.356 1.00 0.00 C ATOM 0 H VAL B 26 -18.733 1.930 -8.291 1.00 0.00 H new ATOM 0 HA VAL B 26 -20.736 -0.032 -9.196 1.00 0.00 H new ATOM 0 HB VAL B 26 -19.273 -0.038 -11.229 1.00 0.00 H new ATOM 0 HG11 VAL B 26 -19.682 2.331 -11.842 1.00 0.00 H new ATOM 0 HG12 VAL B 26 -21.075 1.647 -10.971 1.00 0.00 H new ATOM 0 HG13 VAL B 26 -19.941 2.729 -10.127 1.00 0.00 H new ATOM 0 HG21 VAL B 26 -17.371 1.550 -11.317 1.00 0.00 H new ATOM 0 HG22 VAL B 26 -17.626 1.951 -9.602 1.00 0.00 H new ATOM 0 HG23 VAL B 26 -17.112 0.312 -10.065 1.00 0.00 H new ATOM 1456 N ASP B 27 -18.022 -0.963 -7.801 1.00 0.00 N ATOM 1457 CA ASP B 27 -17.237 -2.163 -7.411 1.00 0.00 C ATOM 1458 C ASP B 27 -16.477 -1.873 -6.121 1.00 0.00 C ATOM 1459 O ASP B 27 -16.668 -0.851 -5.494 1.00 0.00 O ATOM 1460 CB ASP B 27 -16.242 -2.504 -8.524 1.00 0.00 C ATOM 1461 CG ASP B 27 -15.662 -3.898 -8.283 1.00 0.00 C ATOM 1462 OD1 ASP B 27 -16.433 -4.843 -8.258 1.00 0.00 O ATOM 1463 OD2 ASP B 27 -14.456 -3.998 -8.128 1.00 0.00 O ATOM 0 H ASP B 27 -17.820 -0.116 -7.269 1.00 0.00 H new ATOM 0 HA ASP B 27 -17.911 -3.005 -7.255 1.00 0.00 H new ATOM 0 HB2 ASP B 27 -16.739 -2.468 -9.494 1.00 0.00 H new ATOM 0 HB3 ASP B 27 -15.441 -1.765 -8.549 1.00 0.00 H new ATOM 1468 N TYR B 28 -15.611 -2.760 -5.719 1.00 0.00 N ATOM 1469 CA TYR B 28 -14.837 -2.526 -4.471 1.00 0.00 C ATOM 1470 C TYR B 28 -13.538 -3.325 -4.508 1.00 0.00 C ATOM 1471 O TYR B 28 -13.200 -3.950 -5.493 1.00 0.00 O ATOM 1472 CB TYR B 28 -15.671 -2.927 -3.247 1.00 0.00 C ATOM 1473 CG TYR B 28 -15.773 -4.436 -3.135 1.00 0.00 C ATOM 1474 CD1 TYR B 28 -16.418 -5.181 -4.143 1.00 0.00 C ATOM 1475 CD2 TYR B 28 -15.232 -5.097 -2.013 1.00 0.00 C ATOM 1476 CE1 TYR B 28 -16.521 -6.580 -4.028 1.00 0.00 C ATOM 1477 CE2 TYR B 28 -15.335 -6.494 -1.897 1.00 0.00 C ATOM 1478 CZ TYR B 28 -15.980 -7.237 -2.906 1.00 0.00 C ATOM 1479 OH TYR B 28 -16.082 -8.609 -2.793 1.00 0.00 O ATOM 0 H TYR B 28 -15.406 -3.636 -6.201 1.00 0.00 H new ATOM 0 HA TYR B 28 -14.598 -1.465 -4.397 1.00 0.00 H new ATOM 0 HB2 TYR B 28 -15.217 -2.521 -2.343 1.00 0.00 H new ATOM 0 HB3 TYR B 28 -16.669 -2.495 -3.324 1.00 0.00 H new ATOM 0 HD1 TYR B 28 -16.833 -4.678 -5.004 1.00 0.00 H new ATOM 0 HD2 TYR B 28 -14.737 -4.528 -1.240 1.00 0.00 H new ATOM 0 HE1 TYR B 28 -17.015 -7.150 -4.801 1.00 0.00 H new ATOM 0 HE2 TYR B 28 -14.921 -6.997 -1.036 1.00 0.00 H new ATOM 0 HH TYR B 28 -15.656 -8.901 -1.960 1.00 0.00 H new ATOM 1489 N TYR B 29 -12.805 -3.287 -3.439 1.00 0.00 N ATOM 1490 CA TYR B 29 -11.514 -4.015 -3.383 1.00 0.00 C ATOM 1491 C TYR B 29 -11.112 -4.174 -1.912 1.00 0.00 C ATOM 1492 O TYR B 29 -11.213 -3.250 -1.135 1.00 0.00 O ATOM 1493 CB TYR B 29 -10.468 -3.194 -4.158 1.00 0.00 C ATOM 1494 CG TYR B 29 -9.068 -3.596 -3.759 1.00 0.00 C ATOM 1495 CD1 TYR B 29 -8.564 -4.850 -4.144 1.00 0.00 C ATOM 1496 CD2 TYR B 29 -8.271 -2.716 -3.003 1.00 0.00 C ATOM 1497 CE1 TYR B 29 -7.259 -5.230 -3.771 1.00 0.00 C ATOM 1498 CE2 TYR B 29 -6.967 -3.093 -2.629 1.00 0.00 C ATOM 1499 CZ TYR B 29 -6.460 -4.350 -3.013 1.00 0.00 C ATOM 1500 OH TYR B 29 -5.183 -4.721 -2.647 1.00 0.00 O ATOM 0 H TYR B 29 -13.048 -2.776 -2.590 1.00 0.00 H new ATOM 0 HA TYR B 29 -11.591 -5.005 -3.833 1.00 0.00 H new ATOM 0 HB2 TYR B 29 -10.603 -3.343 -5.229 1.00 0.00 H new ATOM 0 HB3 TYR B 29 -10.616 -2.132 -3.963 1.00 0.00 H new ATOM 0 HD1 TYR B 29 -9.177 -5.523 -4.726 1.00 0.00 H new ATOM 0 HD2 TYR B 29 -8.660 -1.752 -2.710 1.00 0.00 H new ATOM 0 HE1 TYR B 29 -6.872 -6.194 -4.066 1.00 0.00 H new ATOM 0 HE2 TYR B 29 -6.356 -2.419 -2.048 1.00 0.00 H new ATOM 0 HH TYR B 29 -4.769 -4.000 -2.129 1.00 0.00 H new ATOM 1510 N GLU B 30 -10.662 -5.335 -1.517 1.00 0.00 N ATOM 1511 CA GLU B 30 -10.261 -5.534 -0.089 1.00 0.00 C ATOM 1512 C GLU B 30 -8.755 -5.292 0.056 1.00 0.00 C ATOM 1513 O GLU B 30 -8.003 -5.397 -0.893 1.00 0.00 O ATOM 1514 CB GLU B 30 -10.594 -6.963 0.341 1.00 0.00 C ATOM 1515 CG GLU B 30 -12.101 -7.088 0.584 1.00 0.00 C ATOM 1516 CD GLU B 30 -12.464 -8.560 0.789 1.00 0.00 C ATOM 1517 OE1 GLU B 30 -11.680 -9.404 0.390 1.00 0.00 O ATOM 1518 OE2 GLU B 30 -13.522 -8.817 1.340 1.00 0.00 O ATOM 0 H GLU B 30 -10.554 -6.153 -2.117 1.00 0.00 H new ATOM 0 HA GLU B 30 -10.804 -4.831 0.543 1.00 0.00 H new ATOM 0 HB2 GLU B 30 -10.280 -7.668 -0.429 1.00 0.00 H new ATOM 0 HB3 GLU B 30 -10.047 -7.217 1.249 1.00 0.00 H new ATOM 0 HG2 GLU B 30 -12.388 -6.506 1.460 1.00 0.00 H new ATOM 0 HG3 GLU B 30 -12.652 -6.681 -0.264 1.00 0.00 H new ATOM 1525 N THR B 31 -8.317 -4.960 1.238 1.00 0.00 N ATOM 1526 CA THR B 31 -6.864 -4.698 1.460 1.00 0.00 C ATOM 1527 C THR B 31 -6.080 -6.009 1.446 1.00 0.00 C ATOM 1528 O THR B 31 -6.567 -7.037 1.018 1.00 0.00 O ATOM 1529 CB THR B 31 -6.684 -4.034 2.824 1.00 0.00 C ATOM 1530 OG1 THR B 31 -7.335 -4.821 3.806 1.00 0.00 O ATOM 1531 CG2 THR B 31 -7.289 -2.628 2.793 1.00 0.00 C ATOM 0 H THR B 31 -8.905 -4.858 2.065 1.00 0.00 H new ATOM 0 HA THR B 31 -6.494 -4.050 0.665 1.00 0.00 H new ATOM 0 HB THR B 31 -5.624 -3.956 3.064 1.00 0.00 H new ATOM 0 HG1 THR B 31 -7.522 -5.711 3.441 1.00 0.00 H new ATOM 0 HG21 THR B 31 -7.160 -2.155 3.767 1.00 0.00 H new ATOM 0 HG22 THR B 31 -6.787 -2.032 2.031 1.00 0.00 H new ATOM 0 HG23 THR B 31 -8.352 -2.694 2.560 1.00 0.00 H new ATOM 1539 N SER B 32 -4.866 -5.972 1.923 1.00 0.00 N ATOM 1540 CA SER B 32 -4.026 -7.202 1.960 1.00 0.00 C ATOM 1541 C SER B 32 -4.273 -7.941 3.274 1.00 0.00 C ATOM 1542 O SER B 32 -5.382 -8.015 3.763 1.00 0.00 O ATOM 1543 CB SER B 32 -2.552 -6.808 1.872 1.00 0.00 C ATOM 1544 OG SER B 32 -1.773 -7.965 1.602 1.00 0.00 O ATOM 0 H SER B 32 -4.416 -5.134 2.292 1.00 0.00 H new ATOM 0 HA SER B 32 -4.284 -7.849 1.121 1.00 0.00 H new ATOM 0 HB2 SER B 32 -2.408 -6.067 1.086 1.00 0.00 H new ATOM 0 HB3 SER B 32 -2.230 -6.348 2.806 1.00 0.00 H new ATOM 0 HG SER B 32 -0.827 -7.716 1.543 1.00 0.00 H new ATOM 1550 N SER B 33 -3.238 -8.486 3.845 1.00 0.00 N ATOM 1551 CA SER B 33 -3.381 -9.229 5.133 1.00 0.00 C ATOM 1552 C SER B 33 -2.128 -9.000 5.972 1.00 0.00 C ATOM 1553 O SER B 33 -2.183 -8.892 7.180 1.00 0.00 O ATOM 1554 CB SER B 33 -3.516 -10.718 4.838 1.00 0.00 C ATOM 1555 OG SER B 33 -2.225 -11.270 4.614 1.00 0.00 O ATOM 0 H SER B 33 -2.289 -8.450 3.474 1.00 0.00 H new ATOM 0 HA SER B 33 -4.262 -8.879 5.671 1.00 0.00 H new ATOM 0 HB2 SER B 33 -4.001 -11.224 5.673 1.00 0.00 H new ATOM 0 HB3 SER B 33 -4.147 -10.872 3.963 1.00 0.00 H new ATOM 0 HG SER B 33 -2.307 -12.228 4.426 1.00 0.00 H new ATOM 1561 N LEU B 34 -1.001 -8.936 5.319 1.00 0.00 N ATOM 1562 CA LEU B 34 0.295 -8.719 6.029 1.00 0.00 C ATOM 1563 C LEU B 34 0.121 -7.715 7.170 1.00 0.00 C ATOM 1564 O LEU B 34 0.404 -8.003 8.316 1.00 0.00 O ATOM 1565 CB LEU B 34 1.330 -8.173 5.041 1.00 0.00 C ATOM 1566 CG LEU B 34 1.225 -8.913 3.706 1.00 0.00 C ATOM 1567 CD1 LEU B 34 2.383 -8.489 2.798 1.00 0.00 C ATOM 1568 CD2 LEU B 34 1.290 -10.425 3.949 1.00 0.00 C ATOM 0 H LEU B 34 -0.920 -9.026 4.306 1.00 0.00 H new ATOM 0 HA LEU B 34 0.630 -9.671 6.440 1.00 0.00 H new ATOM 0 HB2 LEU B 34 1.170 -7.106 4.888 1.00 0.00 H new ATOM 0 HB3 LEU B 34 2.333 -8.289 5.452 1.00 0.00 H new ATOM 0 HG LEU B 34 0.277 -8.666 3.227 1.00 0.00 H new ATOM 0 HD11 LEU B 34 2.310 -9.015 1.846 1.00 0.00 H new ATOM 0 HD12 LEU B 34 2.334 -7.414 2.623 1.00 0.00 H new ATOM 0 HD13 LEU B 34 3.330 -8.736 3.277 1.00 0.00 H new ATOM 0 HD21 LEU B 34 1.215 -10.950 2.997 1.00 0.00 H new ATOM 0 HD22 LEU B 34 2.236 -10.676 4.428 1.00 0.00 H new ATOM 0 HD23 LEU B 34 0.465 -10.725 4.595 1.00 0.00 H new ATOM 1580 N CYS B 35 -0.339 -6.537 6.861 1.00 0.00 N ATOM 1581 CA CYS B 35 -0.525 -5.515 7.925 1.00 0.00 C ATOM 1582 C CYS B 35 -1.705 -5.919 8.816 1.00 0.00 C ATOM 1583 O CYS B 35 -2.765 -6.269 8.342 1.00 0.00 O ATOM 1584 CB CYS B 35 -0.787 -4.145 7.288 1.00 0.00 C ATOM 1585 SG CYS B 35 -1.866 -4.330 5.846 1.00 0.00 S ATOM 0 H CYS B 35 -0.594 -6.238 5.920 1.00 0.00 H new ATOM 0 HA CYS B 35 0.377 -5.451 8.533 1.00 0.00 H new ATOM 0 HB2 CYS B 35 -1.250 -3.479 8.016 1.00 0.00 H new ATOM 0 HB3 CYS B 35 0.156 -3.686 6.991 1.00 0.00 H new ATOM 1590 N SER B 36 -1.511 -5.901 10.105 1.00 0.00 N ATOM 1591 CA SER B 36 -2.601 -6.300 11.046 1.00 0.00 C ATOM 1592 C SER B 36 -3.777 -5.310 11.000 1.00 0.00 C ATOM 1593 O SER B 36 -4.437 -5.096 11.996 1.00 0.00 O ATOM 1594 CB SER B 36 -2.042 -6.347 12.467 1.00 0.00 C ATOM 1595 OG SER B 36 -1.041 -7.353 12.545 1.00 0.00 O ATOM 0 H SER B 36 -0.637 -5.625 10.553 1.00 0.00 H new ATOM 0 HA SER B 36 -2.969 -7.281 10.745 1.00 0.00 H new ATOM 0 HB2 SER B 36 -1.622 -5.378 12.737 1.00 0.00 H new ATOM 0 HB3 SER B 36 -2.841 -6.557 13.178 1.00 0.00 H new ATOM 0 HG SER B 36 -0.679 -7.384 13.455 1.00 0.00 H new ATOM 1601 N GLN B 37 -4.059 -4.695 9.876 1.00 0.00 N ATOM 1602 CA GLN B 37 -5.206 -3.731 9.842 1.00 0.00 C ATOM 1603 C GLN B 37 -5.787 -3.614 8.424 1.00 0.00 C ATOM 1604 O GLN B 37 -5.716 -2.561 7.826 1.00 0.00 O ATOM 1605 CB GLN B 37 -4.721 -2.353 10.305 1.00 0.00 C ATOM 1606 CG GLN B 37 -3.405 -2.002 9.605 1.00 0.00 C ATOM 1607 CD GLN B 37 -2.929 -0.625 10.074 1.00 0.00 C ATOM 1608 OE1 GLN B 37 -3.267 -0.190 11.157 1.00 0.00 O ATOM 1609 NE2 GLN B 37 -2.153 0.082 9.300 1.00 0.00 N ATOM 0 H GLN B 37 -3.556 -4.814 8.997 1.00 0.00 H new ATOM 0 HA GLN B 37 -5.988 -4.100 10.506 1.00 0.00 H new ATOM 0 HB2 GLN B 37 -5.475 -1.598 10.081 1.00 0.00 H new ATOM 0 HB3 GLN B 37 -4.580 -2.352 11.386 1.00 0.00 H new ATOM 0 HG2 GLN B 37 -2.650 -2.755 9.829 1.00 0.00 H new ATOM 0 HG3 GLN B 37 -3.545 -2.002 8.524 1.00 0.00 H new ATOM 0 HE21 GLN B 37 -1.869 -0.284 8.391 1.00 0.00 H new ATOM 0 HE22 GLN B 37 -1.830 1.000 9.604 1.00 0.00 H new ATOM 1618 N PRO B 38 -6.372 -4.685 7.930 1.00 0.00 N ATOM 1619 CA PRO B 38 -6.989 -4.675 6.588 1.00 0.00 C ATOM 1620 C PRO B 38 -8.257 -3.808 6.621 1.00 0.00 C ATOM 1621 O PRO B 38 -8.661 -3.317 7.657 1.00 0.00 O ATOM 1622 CB PRO B 38 -7.337 -6.156 6.307 1.00 0.00 C ATOM 1623 CG PRO B 38 -7.117 -6.943 7.632 1.00 0.00 C ATOM 1624 CD PRO B 38 -6.459 -5.977 8.643 1.00 0.00 C ATOM 0 HA PRO B 38 -6.338 -4.263 5.817 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -8.369 -6.251 5.971 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -6.705 -6.555 5.514 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -8.066 -7.315 8.019 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -6.480 -7.811 7.461 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -7.056 -5.888 9.551 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -5.472 -6.330 8.943 1.00 0.00 H new ATOM 1632 N ALA B 39 -8.883 -3.627 5.497 1.00 0.00 N ATOM 1633 CA ALA B 39 -10.120 -2.811 5.439 1.00 0.00 C ATOM 1634 C ALA B 39 -10.777 -3.035 4.080 1.00 0.00 C ATOM 1635 O ALA B 39 -10.190 -3.626 3.196 1.00 0.00 O ATOM 1636 CB ALA B 39 -9.768 -1.331 5.598 1.00 0.00 C ATOM 0 H ALA B 39 -8.585 -4.016 4.603 1.00 0.00 H new ATOM 0 HA ALA B 39 -10.799 -3.101 6.240 1.00 0.00 H new ATOM 0 HB1 ALA B 39 -10.679 -0.734 5.555 1.00 0.00 H new ATOM 0 HB2 ALA B 39 -9.277 -1.175 6.558 1.00 0.00 H new ATOM 0 HB3 ALA B 39 -9.097 -1.028 4.794 1.00 0.00 H new ATOM 1642 N VAL B 40 -11.977 -2.555 3.892 1.00 0.00 N ATOM 1643 CA VAL B 40 -12.651 -2.729 2.569 1.00 0.00 C ATOM 1644 C VAL B 40 -12.467 -1.436 1.782 1.00 0.00 C ATOM 1645 O VAL B 40 -12.482 -0.356 2.339 1.00 0.00 O ATOM 1646 CB VAL B 40 -14.146 -3.013 2.779 1.00 0.00 C ATOM 1647 CG1 VAL B 40 -14.912 -2.784 1.471 1.00 0.00 C ATOM 1648 CG2 VAL B 40 -14.322 -4.470 3.208 1.00 0.00 C ATOM 0 H VAL B 40 -12.520 -2.051 4.594 1.00 0.00 H new ATOM 0 HA VAL B 40 -12.218 -3.568 2.025 1.00 0.00 H new ATOM 0 HB VAL B 40 -14.534 -2.343 3.547 1.00 0.00 H new ATOM 0 HG11 VAL B 40 -15.971 -2.988 1.629 1.00 0.00 H new ATOM 0 HG12 VAL B 40 -14.785 -1.750 1.151 1.00 0.00 H new ATOM 0 HG13 VAL B 40 -14.525 -3.452 0.701 1.00 0.00 H new ATOM 0 HG21 VAL B 40 -15.381 -4.679 3.359 1.00 0.00 H new ATOM 0 HG22 VAL B 40 -13.929 -5.128 2.433 1.00 0.00 H new ATOM 0 HG23 VAL B 40 -13.782 -4.643 4.139 1.00 0.00 H new ATOM 1658 N VAL B 41 -12.283 -1.543 0.492 1.00 0.00 N ATOM 1659 CA VAL B 41 -12.080 -0.325 -0.354 1.00 0.00 C ATOM 1660 C VAL B 41 -13.176 -0.249 -1.419 1.00 0.00 C ATOM 1661 O VAL B 41 -13.297 -1.113 -2.259 1.00 0.00 O ATOM 1662 CB VAL B 41 -10.705 -0.404 -1.024 1.00 0.00 C ATOM 1663 CG1 VAL B 41 -10.293 0.980 -1.520 1.00 0.00 C ATOM 1664 CG2 VAL B 41 -9.675 -0.899 -0.004 1.00 0.00 C ATOM 0 H VAL B 41 -12.264 -2.427 -0.017 1.00 0.00 H new ATOM 0 HA VAL B 41 -12.130 0.568 0.268 1.00 0.00 H new ATOM 0 HB VAL B 41 -10.753 -1.092 -1.868 1.00 0.00 H new ATOM 0 HG11 VAL B 41 -9.314 0.919 -1.996 1.00 0.00 H new ATOM 0 HG12 VAL B 41 -11.026 1.341 -2.242 1.00 0.00 H new ATOM 0 HG13 VAL B 41 -10.244 1.669 -0.677 1.00 0.00 H new ATOM 0 HG21 VAL B 41 -8.694 -0.957 -0.476 1.00 0.00 H new ATOM 0 HG22 VAL B 41 -9.633 -0.206 0.836 1.00 0.00 H new ATOM 0 HG23 VAL B 41 -9.964 -1.887 0.355 1.00 0.00 H new ATOM 1674 N PHE B 42 -13.982 0.778 -1.392 1.00 0.00 N ATOM 1675 CA PHE B 42 -15.077 0.894 -2.403 1.00 0.00 C ATOM 1676 C PHE B 42 -14.571 1.639 -3.640 1.00 0.00 C ATOM 1677 O PHE B 42 -13.919 2.660 -3.543 1.00 0.00 O ATOM 1678 CB PHE B 42 -16.252 1.672 -1.801 1.00 0.00 C ATOM 1679 CG PHE B 42 -17.011 0.789 -0.836 1.00 0.00 C ATOM 1680 CD1 PHE B 42 -17.691 -0.349 -1.311 1.00 0.00 C ATOM 1681 CD2 PHE B 42 -17.046 1.107 0.537 1.00 0.00 C ATOM 1682 CE1 PHE B 42 -18.405 -1.168 -0.415 1.00 0.00 C ATOM 1683 CE2 PHE B 42 -17.761 0.289 1.430 1.00 0.00 C ATOM 1684 CZ PHE B 42 -18.440 -0.848 0.955 1.00 0.00 C ATOM 0 H PHE B 42 -13.932 1.541 -0.716 1.00 0.00 H new ATOM 0 HA PHE B 42 -15.401 -0.107 -2.688 1.00 0.00 H new ATOM 0 HB2 PHE B 42 -15.886 2.560 -1.285 1.00 0.00 H new ATOM 0 HB3 PHE B 42 -16.917 2.015 -2.594 1.00 0.00 H new ATOM 0 HD1 PHE B 42 -17.665 -0.594 -2.363 1.00 0.00 H new ATOM 0 HD2 PHE B 42 -16.524 1.979 0.903 1.00 0.00 H new ATOM 0 HE1 PHE B 42 -18.926 -2.041 -0.779 1.00 0.00 H new ATOM 0 HE2 PHE B 42 -17.789 0.534 2.482 1.00 0.00 H new ATOM 0 HZ PHE B 42 -18.988 -1.475 1.642 1.00 0.00 H new ATOM 1694 N GLN B 43 -14.891 1.142 -4.806 1.00 0.00 N ATOM 1695 CA GLN B 43 -14.463 1.816 -6.068 1.00 0.00 C ATOM 1696 C GLN B 43 -15.639 2.664 -6.562 1.00 0.00 C ATOM 1697 O GLN B 43 -16.724 2.154 -6.776 1.00 0.00 O ATOM 1698 CB GLN B 43 -14.100 0.749 -7.103 1.00 0.00 C ATOM 1699 CG GLN B 43 -12.846 0.001 -6.644 1.00 0.00 C ATOM 1700 CD GLN B 43 -12.630 -1.225 -7.533 1.00 0.00 C ATOM 1701 OE1 GLN B 43 -12.857 -1.173 -8.726 1.00 0.00 O ATOM 1702 NE2 GLN B 43 -12.198 -2.334 -6.999 1.00 0.00 N ATOM 0 H GLN B 43 -15.436 0.290 -4.939 1.00 0.00 H new ATOM 0 HA GLN B 43 -13.592 2.450 -5.904 1.00 0.00 H new ATOM 0 HB2 GLN B 43 -14.928 0.051 -7.228 1.00 0.00 H new ATOM 0 HB3 GLN B 43 -13.925 1.213 -8.074 1.00 0.00 H new ATOM 0 HG2 GLN B 43 -11.978 0.658 -6.696 1.00 0.00 H new ATOM 0 HG3 GLN B 43 -12.953 -0.305 -5.603 1.00 0.00 H new ATOM 0 HE21 GLN B 43 -12.007 -2.378 -5.998 1.00 0.00 H new ATOM 0 HE22 GLN B 43 -12.051 -3.157 -7.583 1.00 0.00 H new ATOM 1711 N THR B 44 -15.456 3.961 -6.704 1.00 0.00 N ATOM 1712 CA THR B 44 -16.601 4.837 -7.130 1.00 0.00 C ATOM 1713 C THR B 44 -16.566 5.136 -8.630 1.00 0.00 C ATOM 1714 O THR B 44 -15.937 4.447 -9.408 1.00 0.00 O ATOM 1715 CB THR B 44 -16.533 6.157 -6.367 1.00 0.00 C ATOM 1716 OG1 THR B 44 -15.583 7.010 -6.987 1.00 0.00 O ATOM 1717 CG2 THR B 44 -16.115 5.887 -4.923 1.00 0.00 C ATOM 0 H THR B 44 -14.573 4.446 -6.545 1.00 0.00 H new ATOM 0 HA THR B 44 -17.526 4.304 -6.910 1.00 0.00 H new ATOM 0 HB THR B 44 -17.512 6.637 -6.376 1.00 0.00 H new ATOM 0 HG1 THR B 44 -15.754 7.938 -6.721 1.00 0.00 H new ATOM 0 HG21 THR B 44 -16.066 6.829 -4.376 1.00 0.00 H new ATOM 0 HG22 THR B 44 -16.845 5.230 -4.450 1.00 0.00 H new ATOM 0 HG23 THR B 44 -15.135 5.409 -4.911 1.00 0.00 H new ATOM 1725 N LYS B 45 -17.271 6.170 -9.028 1.00 0.00 N ATOM 1726 CA LYS B 45 -17.338 6.560 -10.472 1.00 0.00 C ATOM 1727 C LYS B 45 -16.586 7.879 -10.693 1.00 0.00 C ATOM 1728 O LYS B 45 -16.121 8.154 -11.781 1.00 0.00 O ATOM 1729 CB LYS B 45 -18.806 6.759 -10.872 1.00 0.00 C ATOM 1730 CG LYS B 45 -19.662 5.614 -10.327 1.00 0.00 C ATOM 1731 CD LYS B 45 -21.124 5.851 -10.718 1.00 0.00 C ATOM 1732 CE LYS B 45 -21.968 4.628 -10.346 1.00 0.00 C ATOM 1733 NZ LYS B 45 -23.407 5.013 -10.309 1.00 0.00 N ATOM 0 H LYS B 45 -17.811 6.768 -8.403 1.00 0.00 H new ATOM 0 HA LYS B 45 -16.883 5.774 -11.075 1.00 0.00 H new ATOM 0 HB2 LYS B 45 -19.170 7.711 -10.485 1.00 0.00 H new ATOM 0 HB3 LYS B 45 -18.892 6.802 -11.958 1.00 0.00 H new ATOM 0 HG2 LYS B 45 -19.315 4.662 -10.728 1.00 0.00 H new ATOM 0 HG3 LYS B 45 -19.567 5.557 -9.243 1.00 0.00 H new ATOM 0 HD2 LYS B 45 -21.507 6.736 -10.210 1.00 0.00 H new ATOM 0 HD3 LYS B 45 -21.197 6.042 -11.789 1.00 0.00 H new ATOM 0 HE2 LYS B 45 -21.812 3.830 -11.072 1.00 0.00 H new ATOM 0 HE3 LYS B 45 -21.659 4.240 -9.375 1.00 0.00 H new ATOM 0 HZ1 LYS B 45 -23.946 4.291 -9.790 1.00 0.00 H new ATOM 0 HZ2 LYS B 45 -23.509 5.931 -9.831 1.00 0.00 H new ATOM 0 HZ3 LYS B 45 -23.772 5.086 -11.280 1.00 0.00 H new ATOM 1747 N ARG B 46 -16.476 8.701 -9.673 1.00 0.00 N ATOM 1748 CA ARG B 46 -15.767 10.016 -9.821 1.00 0.00 C ATOM 1749 C ARG B 46 -14.646 10.073 -8.781 1.00 0.00 C ATOM 1750 O ARG B 46 -14.491 11.030 -8.054 1.00 0.00 O ATOM 1751 CB ARG B 46 -16.772 11.164 -9.594 1.00 0.00 C ATOM 1752 CG ARG B 46 -16.295 12.472 -10.265 1.00 0.00 C ATOM 1753 CD ARG B 46 -15.199 13.162 -9.441 1.00 0.00 C ATOM 1754 NE ARG B 46 -15.115 14.594 -9.841 1.00 0.00 N ATOM 1755 CZ ARG B 46 -14.479 15.446 -9.085 1.00 0.00 C ATOM 1756 NH1 ARG B 46 -13.917 15.043 -7.978 1.00 0.00 N ATOM 1757 NH2 ARG B 46 -14.407 16.702 -9.434 1.00 0.00 N ATOM 0 H ARG B 46 -16.848 8.517 -8.741 1.00 0.00 H new ATOM 0 HA ARG B 46 -15.344 10.118 -10.821 1.00 0.00 H new ATOM 0 HB2 ARG B 46 -17.746 10.882 -9.995 1.00 0.00 H new ATOM 0 HB3 ARG B 46 -16.903 11.329 -8.525 1.00 0.00 H new ATOM 0 HG2 ARG B 46 -15.917 12.253 -11.263 1.00 0.00 H new ATOM 0 HG3 ARG B 46 -17.141 13.149 -10.386 1.00 0.00 H new ATOM 0 HD2 ARG B 46 -15.422 13.082 -8.377 1.00 0.00 H new ATOM 0 HD3 ARG B 46 -14.240 12.670 -9.604 1.00 0.00 H new ATOM 0 HE ARG B 46 -15.555 14.909 -10.706 1.00 0.00 H new ATOM 0 HH11 ARG B 46 -13.975 14.062 -7.704 1.00 0.00 H new ATOM 0 HH12 ARG B 46 -13.420 15.709 -7.387 1.00 0.00 H new ATOM 0 HH21 ARG B 46 -14.848 17.017 -10.298 1.00 0.00 H new ATOM 0 HH22 ARG B 46 -13.910 17.368 -8.843 1.00 0.00 H new ATOM 1771 N SER B 47 -13.862 9.040 -8.710 1.00 0.00 N ATOM 1772 CA SER B 47 -12.744 9.004 -7.744 1.00 0.00 C ATOM 1773 C SER B 47 -11.849 7.832 -8.129 1.00 0.00 C ATOM 1774 O SER B 47 -11.369 7.749 -9.242 1.00 0.00 O ATOM 1775 CB SER B 47 -13.285 8.840 -6.313 1.00 0.00 C ATOM 1776 OG SER B 47 -14.428 9.666 -6.144 1.00 0.00 O ATOM 0 H SER B 47 -13.953 8.207 -9.291 1.00 0.00 H new ATOM 0 HA SER B 47 -12.175 9.934 -7.770 1.00 0.00 H new ATOM 0 HB2 SER B 47 -13.545 7.798 -6.128 1.00 0.00 H new ATOM 0 HB3 SER B 47 -12.517 9.110 -5.589 1.00 0.00 H new ATOM 0 HG SER B 47 -14.260 10.543 -6.547 1.00 0.00 H new ATOM 1782 N LYS B 48 -11.644 6.919 -7.242 1.00 0.00 N ATOM 1783 CA LYS B 48 -10.805 5.734 -7.559 1.00 0.00 C ATOM 1784 C LYS B 48 -11.161 4.649 -6.548 1.00 0.00 C ATOM 1785 O LYS B 48 -12.001 3.809 -6.793 1.00 0.00 O ATOM 1786 CB LYS B 48 -9.304 6.102 -7.455 1.00 0.00 C ATOM 1787 CG LYS B 48 -8.708 6.382 -8.847 1.00 0.00 C ATOM 1788 CD LYS B 48 -7.179 6.446 -8.749 1.00 0.00 C ATOM 1789 CE LYS B 48 -6.751 7.654 -7.907 1.00 0.00 C ATOM 1790 NZ LYS B 48 -6.838 7.306 -6.462 1.00 0.00 N ATOM 0 H LYS B 48 -12.024 6.937 -6.296 1.00 0.00 H new ATOM 0 HA LYS B 48 -10.989 5.385 -8.575 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -9.184 6.980 -6.821 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -8.758 5.288 -6.979 1.00 0.00 H new ATOM 0 HG2 LYS B 48 -9.005 5.599 -9.545 1.00 0.00 H new ATOM 0 HG3 LYS B 48 -9.097 7.322 -9.238 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -6.798 5.528 -8.301 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -6.746 6.518 -9.747 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -5.732 7.946 -8.161 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -7.391 8.509 -8.126 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -7.665 7.776 -6.041 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -6.935 6.276 -6.358 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -5.975 7.623 -5.976 1.00 0.00 H new ATOM 1804 N GLN B 49 -10.534 4.688 -5.402 1.00 0.00 N ATOM 1805 CA GLN B 49 -10.819 3.686 -4.331 1.00 0.00 C ATOM 1806 C GLN B 49 -10.978 4.441 -3.002 1.00 0.00 C ATOM 1807 O GLN B 49 -10.323 5.439 -2.763 1.00 0.00 O ATOM 1808 CB GLN B 49 -9.654 2.663 -4.242 1.00 0.00 C ATOM 1809 CG GLN B 49 -8.745 2.778 -5.472 1.00 0.00 C ATOM 1810 CD GLN B 49 -7.795 1.580 -5.517 1.00 0.00 C ATOM 1811 OE1 GLN B 49 -6.623 1.710 -5.224 1.00 0.00 O ATOM 1812 NE2 GLN B 49 -8.253 0.412 -5.877 1.00 0.00 N ATOM 0 H GLN B 49 -9.826 5.381 -5.159 1.00 0.00 H new ATOM 0 HA GLN B 49 -11.733 3.137 -4.555 1.00 0.00 H new ATOM 0 HB2 GLN B 49 -9.074 2.840 -3.336 1.00 0.00 H new ATOM 0 HB3 GLN B 49 -10.054 1.652 -4.171 1.00 0.00 H new ATOM 0 HG2 GLN B 49 -9.347 2.813 -6.380 1.00 0.00 H new ATOM 0 HG3 GLN B 49 -8.175 3.706 -5.431 1.00 0.00 H new ATOM 0 HE21 GLN B 49 -9.237 0.304 -6.123 1.00 0.00 H new ATOM 0 HE22 GLN B 49 -7.627 -0.392 -5.912 1.00 0.00 H new ATOM 1821 N VAL B 50 -11.851 3.980 -2.141 1.00 0.00 N ATOM 1822 CA VAL B 50 -12.066 4.668 -0.826 1.00 0.00 C ATOM 1823 C VAL B 50 -12.076 3.630 0.287 1.00 0.00 C ATOM 1824 O VAL B 50 -12.848 2.698 0.263 1.00 0.00 O ATOM 1825 CB VAL B 50 -13.410 5.402 -0.849 1.00 0.00 C ATOM 1826 CG1 VAL B 50 -13.483 6.370 0.335 1.00 0.00 C ATOM 1827 CG2 VAL B 50 -13.540 6.174 -2.165 1.00 0.00 C ATOM 0 H VAL B 50 -12.428 3.152 -2.291 1.00 0.00 H new ATOM 0 HA VAL B 50 -11.263 5.385 -0.652 1.00 0.00 H new ATOM 0 HB VAL B 50 -14.225 4.683 -0.771 1.00 0.00 H new ATOM 0 HG11 VAL B 50 -14.439 6.893 0.319 1.00 0.00 H new ATOM 0 HG12 VAL B 50 -13.390 5.813 1.267 1.00 0.00 H new ATOM 0 HG13 VAL B 50 -12.672 7.095 0.263 1.00 0.00 H new ATOM 0 HG21 VAL B 50 -14.495 6.698 -2.186 1.00 0.00 H new ATOM 0 HG22 VAL B 50 -12.728 6.896 -2.245 1.00 0.00 H new ATOM 0 HG23 VAL B 50 -13.490 5.477 -3.002 1.00 0.00 H new ATOM 1837 N CYS B 51 -11.231 3.791 1.265 1.00 0.00 N ATOM 1838 CA CYS B 51 -11.187 2.808 2.378 1.00 0.00 C ATOM 1839 C CYS B 51 -12.431 2.976 3.246 1.00 0.00 C ATOM 1840 O CYS B 51 -12.975 4.056 3.369 1.00 0.00 O ATOM 1841 CB CYS B 51 -9.935 3.059 3.220 1.00 0.00 C ATOM 1842 SG CYS B 51 -8.460 2.715 2.227 1.00 0.00 S ATOM 0 H CYS B 51 -10.568 4.563 1.341 1.00 0.00 H new ATOM 0 HA CYS B 51 -11.159 1.795 1.977 1.00 0.00 H new ATOM 0 HB2 CYS B 51 -9.919 4.092 3.568 1.00 0.00 H new ATOM 0 HB3 CYS B 51 -9.946 2.424 4.106 1.00 0.00 H new ATOM 1847 N ALA B 52 -12.893 1.907 3.842 1.00 0.00 N ATOM 1848 CA ALA B 52 -14.115 1.985 4.697 1.00 0.00 C ATOM 1849 C ALA B 52 -13.937 1.084 5.920 1.00 0.00 C ATOM 1850 O ALA B 52 -13.477 -0.039 5.817 1.00 0.00 O ATOM 1851 CB ALA B 52 -15.325 1.508 3.891 1.00 0.00 C ATOM 0 H ALA B 52 -12.474 0.979 3.773 1.00 0.00 H new ATOM 0 HA ALA B 52 -14.270 3.014 5.021 1.00 0.00 H new ATOM 0 HB1 ALA B 52 -16.220 1.563 4.511 1.00 0.00 H new ATOM 0 HB2 ALA B 52 -15.451 2.143 3.014 1.00 0.00 H new ATOM 0 HB3 ALA B 52 -15.167 0.478 3.573 1.00 0.00 H new ATOM 1857 N ASP B 53 -14.296 1.571 7.078 1.00 0.00 N ATOM 1858 CA ASP B 53 -14.149 0.752 8.314 1.00 0.00 C ATOM 1859 C ASP B 53 -15.142 -0.435 8.267 1.00 0.00 C ATOM 1860 O ASP B 53 -16.334 -0.200 8.250 1.00 0.00 O ATOM 1861 CB ASP B 53 -14.484 1.624 9.527 1.00 0.00 C ATOM 1862 CG ASP B 53 -13.412 2.702 9.694 1.00 0.00 C ATOM 1863 OD1 ASP B 53 -13.532 3.733 9.053 1.00 0.00 O ATOM 1864 OD2 ASP B 53 -12.491 2.479 10.462 1.00 0.00 O ATOM 0 H ASP B 53 -14.685 2.503 7.220 1.00 0.00 H new ATOM 0 HA ASP B 53 -13.128 0.377 8.386 1.00 0.00 H new ATOM 0 HB2 ASP B 53 -15.462 2.087 9.396 1.00 0.00 H new ATOM 0 HB3 ASP B 53 -14.539 1.009 10.426 1.00 0.00 H new ATOM 1869 N PRO B 54 -14.667 -1.675 8.248 1.00 0.00 N ATOM 1870 CA PRO B 54 -15.587 -2.832 8.206 1.00 0.00 C ATOM 1871 C PRO B 54 -16.492 -2.827 9.447 1.00 0.00 C ATOM 1872 O PRO B 54 -17.395 -3.630 9.573 1.00 0.00 O ATOM 1873 CB PRO B 54 -14.671 -4.077 8.193 1.00 0.00 C ATOM 1874 CG PRO B 54 -13.198 -3.579 8.210 1.00 0.00 C ATOM 1875 CD PRO B 54 -13.228 -2.035 8.263 1.00 0.00 C ATOM 0 HA PRO B 54 -16.244 -2.811 7.336 1.00 0.00 H new ATOM 0 HB2 PRO B 54 -14.871 -4.709 9.059 1.00 0.00 H new ATOM 0 HB3 PRO B 54 -14.860 -4.682 7.306 1.00 0.00 H new ATOM 0 HG2 PRO B 54 -12.668 -3.982 9.073 1.00 0.00 H new ATOM 0 HG3 PRO B 54 -12.668 -3.922 7.321 1.00 0.00 H new ATOM 0 HD2 PRO B 54 -12.738 -1.662 9.162 1.00 0.00 H new ATOM 0 HD3 PRO B 54 -12.704 -1.601 7.411 1.00 0.00 H new ATOM 1883 N SER B 55 -16.242 -1.939 10.367 1.00 0.00 N ATOM 1884 CA SER B 55 -17.070 -1.893 11.606 1.00 0.00 C ATOM 1885 C SER B 55 -18.420 -1.233 11.313 1.00 0.00 C ATOM 1886 O SER B 55 -19.373 -1.403 12.048 1.00 0.00 O ATOM 1887 CB SER B 55 -16.334 -1.087 12.675 1.00 0.00 C ATOM 1888 OG SER B 55 -17.151 -0.986 13.835 1.00 0.00 O ATOM 0 H SER B 55 -15.499 -1.242 10.316 1.00 0.00 H new ATOM 0 HA SER B 55 -17.240 -2.910 11.960 1.00 0.00 H new ATOM 0 HB2 SER B 55 -15.388 -1.569 12.923 1.00 0.00 H new ATOM 0 HB3 SER B 55 -16.095 -0.093 12.297 1.00 0.00 H new ATOM 0 HG SER B 55 -16.680 -0.471 14.523 1.00 0.00 H new ATOM 1894 N GLU B 56 -18.519 -0.483 10.248 1.00 0.00 N ATOM 1895 CA GLU B 56 -19.818 0.175 9.924 1.00 0.00 C ATOM 1896 C GLU B 56 -20.737 -0.836 9.230 1.00 0.00 C ATOM 1897 O GLU B 56 -20.427 -1.367 8.179 1.00 0.00 O ATOM 1898 CB GLU B 56 -19.571 1.375 9.008 1.00 0.00 C ATOM 1899 CG GLU B 56 -19.099 2.574 9.838 1.00 0.00 C ATOM 1900 CD GLU B 56 -20.280 3.151 10.620 1.00 0.00 C ATOM 1901 OE1 GLU B 56 -21.312 3.383 10.010 1.00 0.00 O ATOM 1902 OE2 GLU B 56 -20.135 3.349 11.814 1.00 0.00 O ATOM 0 H GLU B 56 -17.761 -0.298 9.591 1.00 0.00 H new ATOM 0 HA GLU B 56 -20.293 0.523 10.841 1.00 0.00 H new ATOM 0 HB2 GLU B 56 -18.822 1.123 8.258 1.00 0.00 H new ATOM 0 HB3 GLU B 56 -20.486 1.629 8.472 1.00 0.00 H new ATOM 0 HG2 GLU B 56 -18.310 2.266 10.525 1.00 0.00 H new ATOM 0 HG3 GLU B 56 -18.674 3.337 9.185 1.00 0.00 H new ATOM 1909 N SER B 57 -21.856 -1.113 9.831 1.00 0.00 N ATOM 1910 CA SER B 57 -22.815 -2.098 9.256 1.00 0.00 C ATOM 1911 C SER B 57 -23.104 -1.805 7.781 1.00 0.00 C ATOM 1912 O SER B 57 -23.238 -2.711 6.983 1.00 0.00 O ATOM 1913 CB SER B 57 -24.123 -2.043 10.045 1.00 0.00 C ATOM 1914 OG SER B 57 -25.161 -2.635 9.274 1.00 0.00 O ATOM 0 H SER B 57 -22.154 -0.693 10.711 1.00 0.00 H new ATOM 0 HA SER B 57 -22.368 -3.090 9.324 1.00 0.00 H new ATOM 0 HB2 SER B 57 -24.012 -2.570 10.993 1.00 0.00 H new ATOM 0 HB3 SER B 57 -24.375 -1.009 10.283 1.00 0.00 H new ATOM 0 HG SER B 57 -26.001 -2.603 9.777 1.00 0.00 H new ATOM 1920 N TRP B 58 -23.230 -0.561 7.402 1.00 0.00 N ATOM 1921 CA TRP B 58 -23.540 -0.272 5.975 1.00 0.00 C ATOM 1922 C TRP B 58 -22.418 -0.801 5.088 1.00 0.00 C ATOM 1923 O TRP B 58 -22.646 -1.225 3.976 1.00 0.00 O ATOM 1924 CB TRP B 58 -23.765 1.231 5.754 1.00 0.00 C ATOM 1925 CG TRP B 58 -22.477 1.993 5.733 1.00 0.00 C ATOM 1926 CD1 TRP B 58 -22.037 2.791 6.733 1.00 0.00 C ATOM 1927 CD2 TRP B 58 -21.477 2.077 4.673 1.00 0.00 C ATOM 1928 NE1 TRP B 58 -20.834 3.361 6.359 1.00 0.00 N ATOM 1929 CE2 TRP B 58 -20.440 2.950 5.105 1.00 0.00 C ATOM 1930 CE3 TRP B 58 -21.361 1.489 3.392 1.00 0.00 C ATOM 1931 CZ2 TRP B 58 -19.331 3.228 4.295 1.00 0.00 C ATOM 1932 CZ3 TRP B 58 -20.245 1.767 2.574 1.00 0.00 C ATOM 1933 CH2 TRP B 58 -19.231 2.635 3.027 1.00 0.00 C ATOM 0 H TRP B 58 -23.133 0.254 8.008 1.00 0.00 H new ATOM 0 HA TRP B 58 -24.466 -0.780 5.704 1.00 0.00 H new ATOM 0 HB2 TRP B 58 -24.292 1.384 4.812 1.00 0.00 H new ATOM 0 HB3 TRP B 58 -24.405 1.622 6.545 1.00 0.00 H new ATOM 0 HD1 TRP B 58 -22.544 2.956 7.672 1.00 0.00 H new ATOM 0 HE1 TRP B 58 -20.302 4.008 6.942 1.00 0.00 H new ATOM 0 HE3 TRP B 58 -22.133 0.822 3.037 1.00 0.00 H new ATOM 0 HZ2 TRP B 58 -18.557 3.895 4.645 1.00 0.00 H new ATOM 0 HZ3 TRP B 58 -20.168 1.313 1.597 1.00 0.00 H new ATOM 0 HH2 TRP B 58 -18.378 2.844 2.399 1.00 0.00 H new ATOM 1944 N VAL B 59 -21.213 -0.816 5.574 1.00 0.00 N ATOM 1945 CA VAL B 59 -20.106 -1.350 4.741 1.00 0.00 C ATOM 1946 C VAL B 59 -20.372 -2.825 4.488 1.00 0.00 C ATOM 1947 O VAL B 59 -20.245 -3.311 3.384 1.00 0.00 O ATOM 1948 CB VAL B 59 -18.784 -1.175 5.484 1.00 0.00 C ATOM 1949 CG1 VAL B 59 -17.641 -1.775 4.664 1.00 0.00 C ATOM 1950 CG2 VAL B 59 -18.543 0.318 5.694 1.00 0.00 C ATOM 0 H VAL B 59 -20.948 -0.486 6.502 1.00 0.00 H new ATOM 0 HA VAL B 59 -20.047 -0.816 3.793 1.00 0.00 H new ATOM 0 HB VAL B 59 -18.827 -1.686 6.446 1.00 0.00 H new ATOM 0 HG11 VAL B 59 -16.701 -1.646 5.201 1.00 0.00 H new ATOM 0 HG12 VAL B 59 -17.826 -2.838 4.506 1.00 0.00 H new ATOM 0 HG13 VAL B 59 -17.580 -1.270 3.700 1.00 0.00 H new ATOM 0 HG21 VAL B 59 -17.602 0.464 6.224 1.00 0.00 H new ATOM 0 HG22 VAL B 59 -18.496 0.819 4.727 1.00 0.00 H new ATOM 0 HG23 VAL B 59 -19.359 0.739 6.281 1.00 0.00 H new ATOM 1960 N GLN B 60 -20.769 -3.538 5.500 1.00 0.00 N ATOM 1961 CA GLN B 60 -21.074 -4.981 5.306 1.00 0.00 C ATOM 1962 C GLN B 60 -22.278 -5.110 4.367 1.00 0.00 C ATOM 1963 O GLN B 60 -22.345 -6.000 3.542 1.00 0.00 O ATOM 1964 CB GLN B 60 -21.397 -5.621 6.663 1.00 0.00 C ATOM 1965 CG GLN B 60 -21.942 -7.047 6.463 1.00 0.00 C ATOM 1966 CD GLN B 60 -23.446 -6.999 6.174 1.00 0.00 C ATOM 1967 OE1 GLN B 60 -23.906 -7.556 5.197 1.00 0.00 O ATOM 1968 NE2 GLN B 60 -24.235 -6.352 6.987 1.00 0.00 N ATOM 0 H GLN B 60 -20.896 -3.188 6.450 1.00 0.00 H new ATOM 0 HA GLN B 60 -20.215 -5.490 4.870 1.00 0.00 H new ATOM 0 HB2 GLN B 60 -20.500 -5.650 7.282 1.00 0.00 H new ATOM 0 HB3 GLN B 60 -22.131 -5.015 7.194 1.00 0.00 H new ATOM 0 HG2 GLN B 60 -21.420 -7.532 5.638 1.00 0.00 H new ATOM 0 HG3 GLN B 60 -21.754 -7.645 7.355 1.00 0.00 H new ATOM 0 HE21 GLN B 60 -23.849 -5.884 7.807 1.00 0.00 H new ATOM 0 HE22 GLN B 60 -25.237 -6.314 6.802 1.00 0.00 H new ATOM 1977 N GLU B 61 -23.229 -4.227 4.494 1.00 0.00 N ATOM 1978 CA GLU B 61 -24.438 -4.285 3.620 1.00 0.00 C ATOM 1979 C GLU B 61 -24.046 -4.030 2.162 1.00 0.00 C ATOM 1980 O GLU B 61 -24.381 -4.792 1.278 1.00 0.00 O ATOM 1981 CB GLU B 61 -25.442 -3.222 4.070 1.00 0.00 C ATOM 1982 CG GLU B 61 -26.801 -3.496 3.423 1.00 0.00 C ATOM 1983 CD GLU B 61 -27.456 -4.701 4.102 1.00 0.00 C ATOM 1984 OE1 GLU B 61 -28.037 -4.516 5.159 1.00 0.00 O ATOM 1985 OE2 GLU B 61 -27.365 -5.787 3.554 1.00 0.00 O ATOM 0 H GLU B 61 -23.222 -3.463 5.169 1.00 0.00 H new ATOM 0 HA GLU B 61 -24.888 -5.274 3.700 1.00 0.00 H new ATOM 0 HB2 GLU B 61 -25.536 -3.232 5.156 1.00 0.00 H new ATOM 0 HB3 GLU B 61 -25.087 -2.230 3.790 1.00 0.00 H new ATOM 0 HG2 GLU B 61 -27.443 -2.620 3.515 1.00 0.00 H new ATOM 0 HG3 GLU B 61 -26.676 -3.689 2.358 1.00 0.00 H new ATOM 1992 N TYR B 62 -23.346 -2.961 1.903 1.00 0.00 N ATOM 1993 CA TYR B 62 -22.941 -2.656 0.499 1.00 0.00 C ATOM 1994 C TYR B 62 -22.059 -3.790 -0.037 1.00 0.00 C ATOM 1995 O TYR B 62 -22.137 -4.147 -1.196 1.00 0.00 O ATOM 1996 CB TYR B 62 -22.159 -1.332 0.459 1.00 0.00 C ATOM 1997 CG TYR B 62 -23.114 -0.149 0.449 1.00 0.00 C ATOM 1998 CD1 TYR B 62 -24.067 0.008 1.477 1.00 0.00 C ATOM 1999 CD2 TYR B 62 -23.040 0.804 -0.589 1.00 0.00 C ATOM 2000 CE1 TYR B 62 -24.943 1.112 1.465 1.00 0.00 C ATOM 2001 CE2 TYR B 62 -23.917 1.904 -0.600 1.00 0.00 C ATOM 2002 CZ TYR B 62 -24.868 2.059 0.425 1.00 0.00 C ATOM 2003 OH TYR B 62 -25.726 3.139 0.411 1.00 0.00 O ATOM 0 H TYR B 62 -23.036 -2.285 2.601 1.00 0.00 H new ATOM 0 HA TYR B 62 -23.833 -2.565 -0.121 1.00 0.00 H new ATOM 0 HB2 TYR B 62 -21.499 -1.267 1.324 1.00 0.00 H new ATOM 0 HB3 TYR B 62 -21.526 -1.303 -0.428 1.00 0.00 H new ATOM 0 HD1 TYR B 62 -24.125 -0.718 2.274 1.00 0.00 H new ATOM 0 HD2 TYR B 62 -22.309 0.689 -1.376 1.00 0.00 H new ATOM 0 HE1 TYR B 62 -25.672 1.232 2.253 1.00 0.00 H new ATOM 0 HE2 TYR B 62 -23.860 2.631 -1.397 1.00 0.00 H new ATOM 0 HH TYR B 62 -25.539 3.695 -0.374 1.00 0.00 H new ATOM 2013 N VAL B 63 -21.230 -4.365 0.789 1.00 0.00 N ATOM 2014 CA VAL B 63 -20.366 -5.475 0.311 1.00 0.00 C ATOM 2015 C VAL B 63 -21.261 -6.653 -0.047 1.00 0.00 C ATOM 2016 O VAL B 63 -21.062 -7.327 -1.035 1.00 0.00 O ATOM 2017 CB VAL B 63 -19.390 -5.880 1.421 1.00 0.00 C ATOM 2018 CG1 VAL B 63 -18.686 -7.188 1.047 1.00 0.00 C ATOM 2019 CG2 VAL B 63 -18.344 -4.775 1.602 1.00 0.00 C ATOM 0 H VAL B 63 -21.115 -4.114 1.771 1.00 0.00 H new ATOM 0 HA VAL B 63 -19.793 -5.162 -0.562 1.00 0.00 H new ATOM 0 HB VAL B 63 -19.942 -6.024 2.350 1.00 0.00 H new ATOM 0 HG11 VAL B 63 -17.994 -7.469 1.841 1.00 0.00 H new ATOM 0 HG12 VAL B 63 -19.428 -7.976 0.917 1.00 0.00 H new ATOM 0 HG13 VAL B 63 -18.134 -7.051 0.117 1.00 0.00 H new ATOM 0 HG21 VAL B 63 -17.647 -5.059 2.391 1.00 0.00 H new ATOM 0 HG22 VAL B 63 -17.798 -4.634 0.669 1.00 0.00 H new ATOM 0 HG23 VAL B 63 -18.841 -3.844 1.875 1.00 0.00 H new ATOM 2029 N TYR B 64 -22.253 -6.897 0.757 1.00 0.00 N ATOM 2030 CA TYR B 64 -23.173 -8.024 0.479 1.00 0.00 C ATOM 2031 C TYR B 64 -23.882 -7.774 -0.849 1.00 0.00 C ATOM 2032 O TYR B 64 -24.030 -8.658 -1.668 1.00 0.00 O ATOM 2033 CB TYR B 64 -24.208 -8.119 1.605 1.00 0.00 C ATOM 2034 CG TYR B 64 -24.856 -9.484 1.591 1.00 0.00 C ATOM 2035 CD1 TYR B 64 -24.159 -10.600 2.095 1.00 0.00 C ATOM 2036 CD2 TYR B 64 -26.158 -9.644 1.075 1.00 0.00 C ATOM 2037 CE1 TYR B 64 -24.761 -11.872 2.083 1.00 0.00 C ATOM 2038 CE2 TYR B 64 -26.760 -10.916 1.063 1.00 0.00 C ATOM 2039 CZ TYR B 64 -26.063 -12.030 1.567 1.00 0.00 C ATOM 2040 OH TYR B 64 -26.653 -13.277 1.555 1.00 0.00 O ATOM 0 H TYR B 64 -22.466 -6.361 1.598 1.00 0.00 H new ATOM 0 HA TYR B 64 -22.612 -8.957 0.422 1.00 0.00 H new ATOM 0 HB2 TYR B 64 -23.728 -7.944 2.568 1.00 0.00 H new ATOM 0 HB3 TYR B 64 -24.966 -7.345 1.481 1.00 0.00 H new ATOM 0 HD1 TYR B 64 -23.162 -10.479 2.491 1.00 0.00 H new ATOM 0 HD2 TYR B 64 -26.694 -8.790 0.689 1.00 0.00 H new ATOM 0 HE1 TYR B 64 -24.225 -12.727 2.469 1.00 0.00 H new ATOM 0 HE2 TYR B 64 -27.757 -11.037 0.667 1.00 0.00 H new ATOM 0 HH TYR B 64 -27.551 -13.210 1.167 1.00 0.00 H new ATOM 2050 N ASP B 65 -24.318 -6.568 -1.060 1.00 0.00 N ATOM 2051 CA ASP B 65 -25.026 -6.236 -2.329 1.00 0.00 C ATOM 2052 C ASP B 65 -24.083 -6.454 -3.516 1.00 0.00 C ATOM 2053 O ASP B 65 -24.495 -6.862 -4.583 1.00 0.00 O ATOM 2054 CB ASP B 65 -25.465 -4.769 -2.285 1.00 0.00 C ATOM 2055 CG ASP B 65 -26.727 -4.631 -1.429 1.00 0.00 C ATOM 2056 OD1 ASP B 65 -26.711 -5.103 -0.304 1.00 0.00 O ATOM 2057 OD2 ASP B 65 -27.689 -4.058 -1.914 1.00 0.00 O ATOM 0 H ASP B 65 -24.215 -5.792 -0.407 1.00 0.00 H new ATOM 0 HA ASP B 65 -25.899 -6.879 -2.443 1.00 0.00 H new ATOM 0 HB2 ASP B 65 -24.666 -4.153 -1.873 1.00 0.00 H new ATOM 0 HB3 ASP B 65 -25.658 -4.407 -3.295 1.00 0.00 H new ATOM 2062 N LEU B 66 -22.824 -6.184 -3.335 1.00 0.00 N ATOM 2063 CA LEU B 66 -21.849 -6.370 -4.445 1.00 0.00 C ATOM 2064 C LEU B 66 -21.620 -7.867 -4.681 1.00 0.00 C ATOM 2065 O LEU B 66 -21.349 -8.297 -5.784 1.00 0.00 O ATOM 2066 CB LEU B 66 -20.527 -5.691 -4.060 1.00 0.00 C ATOM 2067 CG LEU B 66 -20.612 -4.172 -4.319 1.00 0.00 C ATOM 2068 CD1 LEU B 66 -19.567 -3.444 -3.471 1.00 0.00 C ATOM 2069 CD2 LEU B 66 -20.337 -3.865 -5.800 1.00 0.00 C ATOM 0 H LEU B 66 -22.424 -5.840 -2.462 1.00 0.00 H new ATOM 0 HA LEU B 66 -22.236 -5.924 -5.361 1.00 0.00 H new ATOM 0 HB2 LEU B 66 -20.308 -5.876 -3.008 1.00 0.00 H new ATOM 0 HB3 LEU B 66 -19.708 -6.120 -4.637 1.00 0.00 H new ATOM 0 HG LEU B 66 -21.614 -3.834 -4.055 1.00 0.00 H new ATOM 0 HD11 LEU B 66 -19.630 -2.372 -3.657 1.00 0.00 H new ATOM 0 HD12 LEU B 66 -19.754 -3.641 -2.415 1.00 0.00 H new ATOM 0 HD13 LEU B 66 -18.571 -3.800 -3.736 1.00 0.00 H new ATOM 0 HD21 LEU B 66 -20.401 -2.790 -5.967 1.00 0.00 H new ATOM 0 HD22 LEU B 66 -19.339 -4.215 -6.065 1.00 0.00 H new ATOM 0 HD23 LEU B 66 -21.076 -4.373 -6.420 1.00 0.00 H new ATOM 2081 N GLU B 67 -21.734 -8.660 -3.655 1.00 0.00 N ATOM 2082 CA GLU B 67 -21.531 -10.128 -3.821 1.00 0.00 C ATOM 2083 C GLU B 67 -22.725 -10.717 -4.566 1.00 0.00 C ATOM 2084 O GLU B 67 -22.619 -11.717 -5.247 1.00 0.00 O ATOM 2085 CB GLU B 67 -21.422 -10.785 -2.446 1.00 0.00 C ATOM 2086 CG GLU B 67 -20.083 -10.415 -1.816 1.00 0.00 C ATOM 2087 CD GLU B 67 -19.905 -11.176 -0.501 1.00 0.00 C ATOM 2088 OE1 GLU B 67 -20.898 -11.388 0.176 1.00 0.00 O ATOM 2089 OE2 GLU B 67 -18.780 -11.533 -0.194 1.00 0.00 O ATOM 0 H GLU B 67 -21.959 -8.357 -2.707 1.00 0.00 H new ATOM 0 HA GLU B 67 -20.616 -10.310 -4.385 1.00 0.00 H new ATOM 0 HB2 GLU B 67 -22.241 -10.456 -1.807 1.00 0.00 H new ATOM 0 HB3 GLU B 67 -21.506 -11.868 -2.540 1.00 0.00 H new ATOM 0 HG2 GLU B 67 -19.269 -10.656 -2.500 1.00 0.00 H new ATOM 0 HG3 GLU B 67 -20.040 -9.341 -1.635 1.00 0.00 H new