USER MOD reduce.3.24.130724 H: found=0, std=0, add=800, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 801 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.1: A 38 GLN : amide:sc= 0.167 K(o=0.59,f=-3.9!) USER MOD Set 2.2: A 77 SER OG : rot -29:sc= 0.42 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 52:sc= 0.979 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0228 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 GLN : amide:sc= -3.7 X(o=-3.7,f=-3.5!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot -119:sc= 1.21 USER MOD Single : A 32 CYS SG : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot -33:sc= 0.76 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.467 USER MOD Single : A 48 GLN : amide:sc= -0.0992 X(o=-0.099,f=-0.074) USER MOD Single : A 51 GLN : amide:sc= -0.369 X(o=-0.37,f=-0.53!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN :FLIP amide:sc= -0.761 F(o=-2.7,f=-0.76) USER MOD Single : A 63 THR OG1 : rot -120:sc= -1.09 USER MOD Single : A 64 GLN : amide:sc= -4.92! C(o=-4.9!,f=-5.7!) USER MOD Single : A 70 GLN : amide:sc= -0.0016 X(o=-0.0016,f=-0.18) USER MOD Single : A 74 SER OG : rot -58:sc= 0.79 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 GLN : amide:sc= -4.77! C(o=-4.8!,f=-7!) USER MOD Single : A 78 THR OG1 : rot 180:sc= -1.02 USER MOD Single : A 82 TYR OH : rot 81:sc= -1.23! USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot -104:sc= 0.869 USER MOD Single : A 96 SER OG : rot 49:sc= 0.329 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 94:sc= 1.2 USER MOD Single : A 105 THR OG1 : rot 75:sc= 1.29 USER MOD ----------------------------------------------------------------- ATOM 49 N VAL A 5 -4.739 3.820 -10.112 1.00 32.13 N ATOM 50 CA VAL A 5 -5.323 4.094 -11.420 1.00 24.35 C ATOM 51 C VAL A 5 -6.808 4.416 -11.302 1.00 50.10 C ATOM 52 O VAL A 5 -7.597 3.593 -10.839 1.00 62.23 O ATOM 53 CB VAL A 5 -5.142 2.900 -12.376 1.00 22.12 C ATOM 54 CG1 VAL A 5 -3.675 2.721 -12.735 1.00 44.03 C ATOM 55 CG2 VAL A 5 -5.706 1.631 -11.755 1.00 62.44 C ATOM 0 HA VAL A 5 -4.798 4.958 -11.827 1.00 24.35 H new ATOM 0 HB VAL A 5 -5.693 3.105 -13.294 1.00 22.12 H new ATOM 0 HG11 VAL A 5 -3.567 1.873 -13.411 1.00 44.03 H new ATOM 0 HG12 VAL A 5 -3.307 3.623 -13.223 1.00 44.03 H new ATOM 0 HG13 VAL A 5 -3.098 2.538 -11.828 1.00 44.03 H new ATOM 0 HG21 VAL A 5 -5.570 0.797 -12.444 1.00 62.44 H new ATOM 0 HG22 VAL A 5 -5.184 1.420 -10.822 1.00 62.44 H new ATOM 0 HG23 VAL A 5 -6.769 1.766 -11.554 1.00 62.44 H new ATOM 65 N GLU A 6 -7.182 5.620 -11.725 1.00 30.32 N ATOM 66 CA GLU A 6 -8.574 6.051 -11.666 1.00 62.23 C ATOM 67 C GLU A 6 -9.121 6.315 -13.066 1.00 43.42 C ATOM 68 O GLU A 6 -8.711 7.251 -13.753 1.00 52.24 O ATOM 69 CB GLU A 6 -8.705 7.311 -10.809 1.00 1.30 C ATOM 70 CG GLU A 6 -9.728 7.185 -9.693 1.00 74.31 C ATOM 71 CD GLU A 6 -9.202 6.404 -8.505 1.00 31.43 C ATOM 72 OE1 GLU A 6 -9.784 5.345 -8.187 1.00 2.03 O ATOM 73 OE2 GLU A 6 -8.210 6.850 -7.893 1.00 3.33 O ATOM 0 H GLU A 6 -6.541 6.313 -12.112 1.00 30.32 H new ATOM 0 HA GLU A 6 -9.157 5.250 -11.212 1.00 62.23 H new ATOM 0 HB2 GLU A 6 -7.734 7.547 -10.375 1.00 1.30 H new ATOM 0 HB3 GLU A 6 -8.980 8.149 -11.450 1.00 1.30 H new ATOM 0 HG2 GLU A 6 -10.027 8.181 -9.365 1.00 74.31 H new ATOM 0 HG3 GLU A 6 -10.622 6.695 -10.078 1.00 74.31 H new ATOM 80 N PRO A 7 -10.068 5.471 -13.500 1.00 15.20 N ATOM 81 CA PRO A 7 -10.692 5.593 -14.821 1.00 33.40 C ATOM 82 C PRO A 7 -11.596 6.816 -14.925 1.00 14.21 C ATOM 83 O PRO A 7 -12.723 6.812 -14.427 1.00 63.24 O ATOM 84 CB PRO A 7 -11.515 4.308 -14.944 1.00 71.21 C ATOM 85 CG PRO A 7 -11.800 3.904 -13.539 1.00 11.33 C ATOM 86 CD PRO A 7 -10.605 4.334 -12.734 1.00 64.50 C ATOM 0 HA PRO A 7 -9.952 5.719 -15.611 1.00 33.40 H new ATOM 0 HB2 PRO A 7 -12.436 4.480 -15.501 1.00 71.21 H new ATOM 0 HB3 PRO A 7 -10.962 3.533 -15.474 1.00 71.21 H new ATOM 0 HG2 PRO A 7 -12.709 4.381 -13.173 1.00 11.33 H new ATOM 0 HG3 PRO A 7 -11.953 2.827 -13.466 1.00 11.33 H new ATOM 0 HD2 PRO A 7 -10.886 4.628 -11.723 1.00 64.50 H new ATOM 0 HD3 PRO A 7 -9.874 3.531 -12.641 1.00 64.50 H new ATOM 94 N TYR A 8 -11.097 7.862 -15.574 1.00 64.31 N ATOM 95 CA TYR A 8 -11.859 9.093 -15.741 1.00 40.24 C ATOM 96 C TYR A 8 -12.407 9.581 -14.404 1.00 21.24 C ATOM 97 O TYR A 8 -13.502 9.198 -13.992 1.00 22.43 O ATOM 98 CB TYR A 8 -13.008 8.876 -16.727 1.00 52.44 C ATOM 99 CG TYR A 8 -12.830 7.659 -17.606 1.00 74.02 C ATOM 100 CD1 TYR A 8 -11.788 7.586 -18.522 1.00 60.51 C ATOM 101 CD2 TYR A 8 -13.705 6.583 -17.522 1.00 31.13 C ATOM 102 CE1 TYR A 8 -11.622 6.476 -19.328 1.00 21.43 C ATOM 103 CE2 TYR A 8 -13.546 5.468 -18.322 1.00 42.42 C ATOM 104 CZ TYR A 8 -12.503 5.420 -19.224 1.00 30.53 C ATOM 105 OH TYR A 8 -12.342 4.312 -20.024 1.00 22.30 O ATOM 0 H TYR A 8 -10.167 7.882 -15.993 1.00 64.31 H new ATOM 0 HA TYR A 8 -11.187 9.855 -16.137 1.00 40.24 H new ATOM 0 HB2 TYR A 8 -13.940 8.778 -16.170 1.00 52.44 H new ATOM 0 HB3 TYR A 8 -13.105 9.759 -17.359 1.00 52.44 H new ATOM 0 HD1 TYR A 8 -11.096 8.411 -18.606 1.00 60.51 H new ATOM 0 HD2 TYR A 8 -14.524 6.619 -16.819 1.00 31.13 H new ATOM 0 HE1 TYR A 8 -10.807 6.436 -20.035 1.00 21.43 H new ATOM 0 HE2 TYR A 8 -14.234 4.639 -18.242 1.00 42.42 H new ATOM 0 HH TYR A 8 -13.046 3.660 -19.825 1.00 22.30 H new ATOM 115 N SER A 9 -11.637 10.429 -13.730 1.00 42.41 N ATOM 116 CA SER A 9 -12.042 10.968 -12.437 1.00 51.21 C ATOM 117 C SER A 9 -11.033 11.997 -11.937 1.00 2.21 C ATOM 118 O SER A 9 -10.058 11.653 -11.269 1.00 64.30 O ATOM 119 CB SER A 9 -12.187 9.840 -11.414 1.00 13.33 C ATOM 120 OG SER A 9 -13.538 9.430 -11.295 1.00 75.25 O ATOM 0 H SER A 9 -10.729 10.758 -14.058 1.00 42.41 H new ATOM 0 HA SER A 9 -13.006 11.462 -12.562 1.00 51.21 H new ATOM 0 HB2 SER A 9 -11.571 8.992 -11.714 1.00 13.33 H new ATOM 0 HB3 SER A 9 -11.818 10.175 -10.444 1.00 13.33 H new ATOM 0 HG SER A 9 -13.901 9.238 -12.185 1.00 75.25 H new ATOM 126 N ASP A 10 -11.275 13.261 -12.265 1.00 44.43 N ATOM 127 CA ASP A 10 -10.388 14.342 -11.849 1.00 53.33 C ATOM 128 C ASP A 10 -10.165 14.312 -10.341 1.00 22.44 C ATOM 129 O ASP A 10 -9.155 14.809 -9.843 1.00 31.43 O ATOM 130 CB ASP A 10 -10.969 15.695 -12.264 1.00 14.02 C ATOM 131 CG ASP A 10 -10.075 16.854 -11.871 1.00 43.25 C ATOM 132 OD1 ASP A 10 -9.203 17.232 -12.682 1.00 50.43 O ATOM 133 OD2 ASP A 10 -10.247 17.384 -10.754 1.00 25.01 O ATOM 0 H ASP A 10 -12.078 13.563 -12.817 1.00 44.43 H new ATOM 0 HA ASP A 10 -9.427 14.201 -12.343 1.00 53.33 H new ATOM 0 HB2 ASP A 10 -11.120 15.706 -13.343 1.00 14.02 H new ATOM 0 HB3 ASP A 10 -11.949 15.823 -11.803 1.00 14.02 H new ATOM 138 N ALA A 11 -11.114 13.726 -9.619 1.00 33.43 N ATOM 139 CA ALA A 11 -11.021 13.629 -8.167 1.00 45.33 C ATOM 140 C ALA A 11 -9.781 12.846 -7.748 1.00 32.10 C ATOM 141 O ALA A 11 -9.340 12.930 -6.602 1.00 52.42 O ATOM 142 CB ALA A 11 -12.274 12.981 -7.599 1.00 53.02 C ATOM 0 H ALA A 11 -11.957 13.311 -10.016 1.00 33.43 H new ATOM 0 HA ALA A 11 -10.935 14.639 -7.765 1.00 45.33 H new ATOM 0 HB1 ALA A 11 -12.190 12.915 -6.514 1.00 53.02 H new ATOM 0 HB2 ALA A 11 -13.145 13.582 -7.860 1.00 53.02 H new ATOM 0 HB3 ALA A 11 -12.387 11.980 -8.015 1.00 53.02 H new ATOM 148 N ALA A 12 -9.224 12.083 -8.683 1.00 54.32 N ATOM 149 CA ALA A 12 -8.035 11.286 -8.411 1.00 32.15 C ATOM 150 C ALA A 12 -6.765 12.098 -8.641 1.00 71.31 C ATOM 151 O ALA A 12 -5.777 11.941 -7.923 1.00 53.20 O ATOM 152 CB ALA A 12 -8.029 10.035 -9.276 1.00 63.23 C ATOM 0 H ALA A 12 -9.578 12.000 -9.636 1.00 54.32 H new ATOM 0 HA ALA A 12 -8.059 10.989 -7.363 1.00 32.15 H new ATOM 0 HB1 ALA A 12 -7.135 9.449 -9.062 1.00 63.23 H new ATOM 0 HB2 ALA A 12 -8.915 9.438 -9.059 1.00 63.23 H new ATOM 0 HB3 ALA A 12 -8.033 10.320 -10.328 1.00 63.23 H new ATOM 158 N PHE A 13 -6.797 12.965 -9.648 1.00 33.14 N ATOM 159 CA PHE A 13 -5.647 13.800 -9.974 1.00 15.41 C ATOM 160 C PHE A 13 -5.118 14.507 -8.730 1.00 14.54 C ATOM 161 O PHE A 13 -3.915 14.729 -8.591 1.00 41.00 O ATOM 162 CB PHE A 13 -6.026 14.832 -11.039 1.00 2.24 C ATOM 163 CG PHE A 13 -5.285 16.132 -10.904 1.00 21.22 C ATOM 164 CD1 PHE A 13 -5.962 17.303 -10.606 1.00 54.10 C ATOM 165 CD2 PHE A 13 -3.911 16.182 -11.076 1.00 1.14 C ATOM 166 CE1 PHE A 13 -5.284 18.501 -10.481 1.00 24.40 C ATOM 167 CE2 PHE A 13 -3.227 17.376 -10.951 1.00 42.53 C ATOM 168 CZ PHE A 13 -3.914 18.537 -10.655 1.00 10.41 C ATOM 0 H PHE A 13 -7.607 13.107 -10.252 1.00 33.14 H new ATOM 0 HA PHE A 13 -4.860 13.155 -10.366 1.00 15.41 H new ATOM 0 HB2 PHE A 13 -5.831 14.412 -12.026 1.00 2.24 H new ATOM 0 HB3 PHE A 13 -7.097 15.026 -10.981 1.00 2.24 H new ATOM 0 HD1 PHE A 13 -7.033 17.280 -10.470 1.00 54.10 H new ATOM 0 HD2 PHE A 13 -3.369 15.278 -11.310 1.00 1.14 H new ATOM 0 HE1 PHE A 13 -5.824 19.407 -10.248 1.00 24.40 H new ATOM 0 HE2 PHE A 13 -2.156 17.401 -11.085 1.00 42.53 H new ATOM 0 HZ PHE A 13 -3.381 19.471 -10.560 1.00 10.41 H new ATOM 178 N THR A 14 -6.027 14.861 -7.825 1.00 62.44 N ATOM 179 CA THR A 14 -5.654 15.544 -6.593 1.00 64.15 C ATOM 180 C THR A 14 -5.191 14.552 -5.533 1.00 24.31 C ATOM 181 O THR A 14 -4.263 14.830 -4.774 1.00 21.24 O ATOM 182 CB THR A 14 -6.827 16.369 -6.031 1.00 64.11 C ATOM 183 OG1 THR A 14 -8.037 15.606 -6.095 1.00 40.42 O ATOM 184 CG2 THR A 14 -6.997 17.666 -6.807 1.00 41.22 C ATOM 0 H THR A 14 -7.027 14.685 -7.923 1.00 62.44 H new ATOM 0 HA THR A 14 -4.833 16.216 -6.841 1.00 64.15 H new ATOM 0 HB THR A 14 -6.606 16.613 -4.992 1.00 64.11 H new ATOM 0 HG1 THR A 14 -8.778 16.137 -5.734 1.00 40.42 H new ATOM 0 HG21 THR A 14 -7.831 18.232 -6.392 1.00 41.22 H new ATOM 0 HG22 THR A 14 -6.084 18.257 -6.732 1.00 41.22 H new ATOM 0 HG23 THR A 14 -7.197 17.440 -7.854 1.00 41.22 H new ATOM 192 N GLN A 15 -5.842 13.394 -5.487 1.00 52.25 N ATOM 193 CA GLN A 15 -5.496 12.361 -4.519 1.00 21.31 C ATOM 194 C GLN A 15 -4.112 11.788 -4.806 1.00 21.25 C ATOM 195 O GLN A 15 -3.425 11.317 -3.900 1.00 22.41 O ATOM 196 CB GLN A 15 -6.539 11.242 -4.541 1.00 24.24 C ATOM 197 CG GLN A 15 -7.966 11.737 -4.372 1.00 21.13 C ATOM 198 CD GLN A 15 -8.568 11.339 -3.038 1.00 62.05 C ATOM 199 OE1 GLN A 15 -9.005 10.202 -2.856 1.00 51.41 O ATOM 200 NE2 GLN A 15 -8.593 12.275 -2.097 1.00 53.21 N ATOM 0 H GLN A 15 -6.612 13.148 -6.109 1.00 52.25 H new ATOM 0 HA GLN A 15 -5.483 12.816 -3.529 1.00 21.31 H new ATOM 0 HB2 GLN A 15 -6.460 10.702 -5.484 1.00 24.24 H new ATOM 0 HB3 GLN A 15 -6.313 10.531 -3.746 1.00 24.24 H new ATOM 0 HG2 GLN A 15 -7.983 12.823 -4.464 1.00 21.13 H new ATOM 0 HG3 GLN A 15 -8.583 11.339 -5.178 1.00 21.13 H new ATOM 0 HE21 GLN A 15 -8.220 13.204 -2.292 1.00 53.21 H new ATOM 0 HE22 GLN A 15 -8.985 12.065 -1.179 1.00 53.21 H new ATOM 209 N ALA A 16 -3.709 11.831 -6.071 1.00 54.44 N ATOM 210 CA ALA A 16 -2.407 11.318 -6.477 1.00 2.21 C ATOM 211 C ALA A 16 -1.294 12.293 -6.108 1.00 64.03 C ATOM 212 O ALA A 16 -0.176 11.883 -5.797 1.00 21.12 O ATOM 213 CB ALA A 16 -2.392 11.038 -7.972 1.00 51.24 C ATOM 0 H ALA A 16 -4.266 12.216 -6.833 1.00 54.44 H new ATOM 0 HA ALA A 16 -2.229 10.385 -5.943 1.00 2.21 H new ATOM 0 HB1 ALA A 16 -1.413 10.655 -8.261 1.00 51.24 H new ATOM 0 HB2 ALA A 16 -3.156 10.298 -8.211 1.00 51.24 H new ATOM 0 HB3 ALA A 16 -2.596 11.960 -8.517 1.00 51.24 H new ATOM 219 N GLN A 17 -1.607 13.584 -6.147 1.00 11.02 N ATOM 220 CA GLN A 17 -0.632 14.617 -5.818 1.00 24.41 C ATOM 221 C GLN A 17 -0.643 14.920 -4.323 1.00 53.34 C ATOM 222 O GLN A 17 0.338 15.420 -3.774 1.00 51.10 O ATOM 223 CB GLN A 17 -0.920 15.892 -6.612 1.00 31.12 C ATOM 224 CG GLN A 17 -1.911 16.822 -5.930 1.00 70.33 C ATOM 225 CD GLN A 17 -2.761 17.595 -6.919 1.00 72.43 C ATOM 226 OE1 GLN A 17 -2.564 17.501 -8.131 1.00 41.31 O ATOM 227 NE2 GLN A 17 -3.714 18.364 -6.406 1.00 52.15 N ATOM 0 H GLN A 17 -2.528 13.940 -6.403 1.00 11.02 H new ATOM 0 HA GLN A 17 0.357 14.246 -6.087 1.00 24.41 H new ATOM 0 HB2 GLN A 17 0.015 16.428 -6.775 1.00 31.12 H new ATOM 0 HB3 GLN A 17 -1.307 15.619 -7.594 1.00 31.12 H new ATOM 0 HG2 GLN A 17 -2.560 16.239 -5.277 1.00 70.33 H new ATOM 0 HG3 GLN A 17 -1.368 17.524 -5.297 1.00 70.33 H new ATOM 0 HE21 GLN A 17 -3.842 18.412 -5.395 1.00 52.15 H new ATOM 0 HE22 GLN A 17 -4.318 18.907 -7.023 1.00 52.15 H new ATOM 236 N ALA A 18 -1.760 14.615 -3.671 1.00 54.33 N ATOM 237 CA ALA A 18 -1.899 14.854 -2.240 1.00 51.11 C ATOM 238 C ALA A 18 -1.351 13.682 -1.432 1.00 54.44 C ATOM 239 O ALA A 18 -1.368 13.703 -0.202 1.00 35.42 O ATOM 240 CB ALA A 18 -3.357 15.106 -1.886 1.00 12.20 C ATOM 0 H ALA A 18 -2.582 14.202 -4.111 1.00 54.33 H new ATOM 0 HA ALA A 18 -1.317 15.740 -1.986 1.00 51.11 H new ATOM 0 HB1 ALA A 18 -3.446 15.283 -0.814 1.00 12.20 H new ATOM 0 HB2 ALA A 18 -3.718 15.980 -2.429 1.00 12.20 H new ATOM 0 HB3 ALA A 18 -3.954 14.236 -2.161 1.00 12.20 H new ATOM 246 N SER A 19 -0.867 12.662 -2.133 1.00 22.12 N ATOM 247 CA SER A 19 -0.318 11.479 -1.480 1.00 71.13 C ATOM 248 C SER A 19 1.207 11.504 -1.503 1.00 62.04 C ATOM 249 O SER A 19 1.863 10.686 -0.859 1.00 55.03 O ATOM 250 CB SER A 19 -0.829 10.210 -2.165 1.00 31.32 C ATOM 251 OG SER A 19 -1.742 9.514 -1.334 1.00 14.53 O ATOM 0 H SER A 19 -0.844 12.631 -3.152 1.00 22.12 H new ATOM 0 HA SER A 19 -0.648 11.481 -0.441 1.00 71.13 H new ATOM 0 HB2 SER A 19 -1.315 10.471 -3.105 1.00 31.32 H new ATOM 0 HB3 SER A 19 0.012 9.561 -2.410 1.00 31.32 H new ATOM 0 HG SER A 19 -2.055 8.708 -1.795 1.00 14.53 H new ATOM 257 N GLY A 20 1.766 12.450 -2.252 1.00 1.32 N ATOM 258 CA GLY A 20 3.210 12.565 -2.346 1.00 53.42 C ATOM 259 C GLY A 20 3.842 11.376 -3.042 1.00 12.21 C ATOM 260 O GLY A 20 5.034 11.118 -2.883 1.00 65.23 O ATOM 0 H GLY A 20 1.245 13.138 -2.795 1.00 1.32 H new ATOM 0 HA2 GLY A 20 3.464 13.476 -2.887 1.00 53.42 H new ATOM 0 HA3 GLY A 20 3.630 12.661 -1.345 1.00 53.42 H new ATOM 264 N ALA A 21 3.040 10.649 -3.814 1.00 4.52 N ATOM 265 CA ALA A 21 3.529 9.481 -4.536 1.00 54.53 C ATOM 266 C ALA A 21 3.582 9.747 -6.037 1.00 21.01 C ATOM 267 O ALA A 21 2.953 10.672 -6.551 1.00 32.01 O ATOM 268 CB ALA A 21 2.650 8.274 -4.243 1.00 3.21 C ATOM 0 H ALA A 21 2.050 10.848 -3.955 1.00 4.52 H new ATOM 0 HA ALA A 21 4.542 9.270 -4.194 1.00 54.53 H new ATOM 0 HB1 ALA A 21 3.026 7.409 -4.789 1.00 3.21 H new ATOM 0 HB2 ALA A 21 2.666 8.064 -3.174 1.00 3.21 H new ATOM 0 HB3 ALA A 21 1.627 8.484 -4.557 1.00 3.21 H new ATOM 274 N PRO A 22 4.351 8.918 -6.758 1.00 44.23 N ATOM 275 CA PRO A 22 4.505 9.044 -8.211 1.00 3.04 C ATOM 276 C PRO A 22 3.231 8.674 -8.963 1.00 4.22 C ATOM 277 O PRO A 22 2.787 7.527 -8.925 1.00 30.21 O ATOM 278 CB PRO A 22 5.625 8.053 -8.536 1.00 22.41 C ATOM 279 CG PRO A 22 5.570 7.046 -7.439 1.00 70.43 C ATOM 280 CD PRO A 22 5.130 7.794 -6.212 1.00 13.03 C ATOM 0 HA PRO A 22 4.724 10.069 -8.511 1.00 3.04 H new ATOM 0 HB2 PRO A 22 5.471 7.587 -9.509 1.00 22.41 H new ATOM 0 HB3 PRO A 22 6.595 8.549 -8.570 1.00 22.41 H new ATOM 0 HG2 PRO A 22 4.871 6.245 -7.679 1.00 70.43 H new ATOM 0 HG3 PRO A 22 6.545 6.583 -7.285 1.00 70.43 H new ATOM 0 HD2 PRO A 22 4.526 7.168 -5.555 1.00 13.03 H new ATOM 0 HD3 PRO A 22 5.981 8.142 -5.627 1.00 13.03 H new ATOM 288 N VAL A 23 2.648 9.653 -9.647 1.00 11.54 N ATOM 289 CA VAL A 23 1.426 9.430 -10.409 1.00 55.33 C ATOM 290 C VAL A 23 1.406 10.278 -11.676 1.00 54.21 C ATOM 291 O VAL A 23 1.536 11.502 -11.620 1.00 21.24 O ATOM 292 CB VAL A 23 0.174 9.751 -9.570 1.00 61.24 C ATOM 293 CG1 VAL A 23 -1.080 9.247 -10.268 1.00 30.41 C ATOM 294 CG2 VAL A 23 0.298 9.150 -8.178 1.00 61.14 C ATOM 0 H VAL A 23 3.003 10.608 -9.689 1.00 11.54 H new ATOM 0 HA VAL A 23 1.411 8.375 -10.681 1.00 55.33 H new ATOM 0 HB VAL A 23 0.093 10.833 -9.468 1.00 61.24 H new ATOM 0 HG11 VAL A 23 -1.954 9.483 -9.661 1.00 30.41 H new ATOM 0 HG12 VAL A 23 -1.173 9.729 -11.241 1.00 30.41 H new ATOM 0 HG13 VAL A 23 -1.012 8.168 -10.403 1.00 30.41 H new ATOM 0 HG21 VAL A 23 -0.595 9.386 -7.599 1.00 61.14 H new ATOM 0 HG22 VAL A 23 0.404 8.068 -8.257 1.00 61.14 H new ATOM 0 HG23 VAL A 23 1.174 9.565 -7.679 1.00 61.14 H new ATOM 304 N LEU A 24 1.241 9.621 -12.819 1.00 20.13 N ATOM 305 CA LEU A 24 1.203 10.314 -14.102 1.00 1.34 C ATOM 306 C LEU A 24 -0.232 10.467 -14.596 1.00 2.43 C ATOM 307 O LEU A 24 -1.091 9.635 -14.306 1.00 15.10 O ATOM 308 CB LEU A 24 2.033 9.556 -15.138 1.00 64.54 C ATOM 309 CG LEU A 24 1.291 8.487 -15.941 1.00 73.13 C ATOM 310 CD1 LEU A 24 0.932 9.011 -17.323 1.00 73.21 C ATOM 311 CD2 LEU A 24 2.130 7.222 -16.050 1.00 10.20 C ATOM 0 H LEU A 24 1.131 8.609 -12.883 1.00 20.13 H new ATOM 0 HA LEU A 24 1.628 11.308 -13.963 1.00 1.34 H new ATOM 0 HB2 LEU A 24 2.454 10.279 -15.836 1.00 64.54 H new ATOM 0 HB3 LEU A 24 2.871 9.082 -14.627 1.00 64.54 H new ATOM 0 HG LEU A 24 0.368 8.242 -15.416 1.00 73.13 H new ATOM 0 HD11 LEU A 24 0.405 8.237 -17.880 1.00 73.21 H new ATOM 0 HD12 LEU A 24 0.291 9.887 -17.225 1.00 73.21 H new ATOM 0 HD13 LEU A 24 1.842 9.285 -17.856 1.00 73.21 H new ATOM 0 HD21 LEU A 24 1.586 6.473 -16.625 1.00 10.20 H new ATOM 0 HD22 LEU A 24 3.070 7.451 -16.551 1.00 10.20 H new ATOM 0 HD23 LEU A 24 2.336 6.835 -15.052 1.00 10.20 H new ATOM 323 N VAL A 25 -0.483 11.536 -15.345 1.00 74.02 N ATOM 324 CA VAL A 25 -1.813 11.797 -15.883 1.00 33.31 C ATOM 325 C VAL A 25 -1.828 11.663 -17.401 1.00 71.45 C ATOM 326 O VAL A 25 -0.880 12.059 -18.079 1.00 63.32 O ATOM 327 CB VAL A 25 -2.308 13.203 -15.498 1.00 14.51 C ATOM 328 CG1 VAL A 25 -3.768 13.381 -15.886 1.00 74.32 C ATOM 329 CG2 VAL A 25 -2.110 13.449 -14.010 1.00 35.33 C ATOM 0 H VAL A 25 0.217 12.235 -15.593 1.00 74.02 H new ATOM 0 HA VAL A 25 -2.481 11.053 -15.449 1.00 33.31 H new ATOM 0 HB VAL A 25 -1.719 13.938 -16.046 1.00 14.51 H new ATOM 0 HG11 VAL A 25 -4.100 14.381 -15.606 1.00 74.32 H new ATOM 0 HG12 VAL A 25 -3.877 13.251 -16.963 1.00 74.32 H new ATOM 0 HG13 VAL A 25 -4.375 12.639 -15.368 1.00 74.32 H new ATOM 0 HG21 VAL A 25 -2.465 14.448 -13.756 1.00 35.33 H new ATOM 0 HG22 VAL A 25 -2.672 12.708 -13.441 1.00 35.33 H new ATOM 0 HG23 VAL A 25 -1.051 13.368 -13.766 1.00 35.33 H new ATOM 339 N ASP A 26 -2.911 11.102 -17.930 1.00 5.23 N ATOM 340 CA ASP A 26 -3.050 10.917 -19.369 1.00 74.14 C ATOM 341 C ASP A 26 -4.500 11.108 -19.804 1.00 33.14 C ATOM 342 O ASP A 26 -5.355 10.261 -19.541 1.00 3.43 O ATOM 343 CB ASP A 26 -2.562 9.526 -19.776 1.00 33.41 C ATOM 344 CG ASP A 26 -1.548 9.574 -20.902 1.00 30.24 C ATOM 345 OD1 ASP A 26 -1.787 8.928 -21.944 1.00 25.12 O ATOM 346 OD2 ASP A 26 -0.516 10.258 -20.741 1.00 11.21 O ATOM 0 H ASP A 26 -3.705 10.768 -17.383 1.00 5.23 H new ATOM 0 HA ASP A 26 -2.438 11.668 -19.867 1.00 74.14 H new ATOM 0 HB2 ASP A 26 -2.117 9.033 -18.912 1.00 33.41 H new ATOM 0 HB3 ASP A 26 -3.415 8.921 -20.084 1.00 33.41 H new ATOM 351 N VAL A 27 -4.771 12.226 -20.469 1.00 51.30 N ATOM 352 CA VAL A 27 -6.117 12.529 -20.940 1.00 34.22 C ATOM 353 C VAL A 27 -6.411 11.821 -22.258 1.00 44.40 C ATOM 354 O VAL A 27 -5.570 11.788 -23.157 1.00 70.10 O ATOM 355 CB VAL A 27 -6.319 14.044 -21.127 1.00 52.32 C ATOM 356 CG1 VAL A 27 -7.797 14.399 -21.059 1.00 62.22 C ATOM 357 CG2 VAL A 27 -5.528 14.820 -20.085 1.00 21.44 C ATOM 0 H VAL A 27 -4.076 12.938 -20.694 1.00 51.30 H new ATOM 0 HA VAL A 27 -6.807 12.170 -20.177 1.00 34.22 H new ATOM 0 HB VAL A 27 -5.948 14.323 -22.113 1.00 52.32 H new ATOM 0 HG11 VAL A 27 -7.920 15.474 -21.193 1.00 62.22 H new ATOM 0 HG12 VAL A 27 -8.335 13.871 -21.847 1.00 62.22 H new ATOM 0 HG13 VAL A 27 -8.197 14.107 -20.088 1.00 62.22 H new ATOM 0 HG21 VAL A 27 -5.683 15.889 -20.232 1.00 21.44 H new ATOM 0 HG22 VAL A 27 -5.866 14.539 -19.088 1.00 21.44 H new ATOM 0 HG23 VAL A 27 -4.468 14.589 -20.187 1.00 21.44 H new ATOM 367 N TYR A 28 -7.608 11.257 -22.367 1.00 13.35 N ATOM 368 CA TYR A 28 -8.013 10.548 -23.575 1.00 5.23 C ATOM 369 C TYR A 28 -9.241 11.199 -24.203 1.00 32.20 C ATOM 370 O TYR A 28 -9.987 11.916 -23.537 1.00 5.24 O ATOM 371 CB TYR A 28 -8.305 9.081 -23.256 1.00 72.04 C ATOM 372 CG TYR A 28 -7.910 8.131 -24.364 1.00 22.52 C ATOM 373 CD1 TYR A 28 -8.871 7.539 -25.174 1.00 51.14 C ATOM 374 CD2 TYR A 28 -6.576 7.823 -24.599 1.00 45.12 C ATOM 375 CE1 TYR A 28 -8.515 6.670 -26.187 1.00 62.50 C ATOM 376 CE2 TYR A 28 -6.210 6.956 -25.610 1.00 61.04 C ATOM 377 CZ TYR A 28 -7.183 6.382 -26.401 1.00 60.44 C ATOM 378 OH TYR A 28 -6.823 5.516 -27.409 1.00 1.12 O ATOM 0 H TYR A 28 -8.316 11.277 -21.633 1.00 13.35 H new ATOM 0 HA TYR A 28 -7.192 10.601 -24.290 1.00 5.23 H new ATOM 0 HB2 TYR A 28 -7.775 8.804 -22.345 1.00 72.04 H new ATOM 0 HB3 TYR A 28 -9.370 8.967 -23.053 1.00 72.04 H new ATOM 0 HD1 TYR A 28 -9.915 7.762 -25.009 1.00 51.14 H new ATOM 0 HD2 TYR A 28 -5.812 8.269 -23.980 1.00 45.12 H new ATOM 0 HE1 TYR A 28 -9.275 6.219 -26.808 1.00 62.50 H new ATOM 0 HE2 TYR A 28 -5.168 6.729 -25.780 1.00 61.04 H new ATOM 0 HH TYR A 28 -6.353 4.746 -27.026 1.00 1.12 H new ATOM 388 N ALA A 29 -9.445 10.942 -25.491 1.00 34.43 N ATOM 389 CA ALA A 29 -10.584 11.499 -26.210 1.00 13.02 C ATOM 390 C ALA A 29 -11.320 10.419 -26.995 1.00 63.43 C ATOM 391 O ALA A 29 -10.858 9.281 -27.086 1.00 34.33 O ATOM 392 CB ALA A 29 -10.127 12.612 -27.141 1.00 11.33 C ATOM 0 H ALA A 29 -8.836 10.352 -26.058 1.00 34.43 H new ATOM 0 HA ALA A 29 -11.276 11.914 -25.478 1.00 13.02 H new ATOM 0 HB1 ALA A 29 -10.988 13.019 -27.672 1.00 11.33 H new ATOM 0 HB2 ALA A 29 -9.653 13.402 -26.558 1.00 11.33 H new ATOM 0 HB3 ALA A 29 -9.412 12.214 -27.861 1.00 11.33 H new ATOM 398 N ASP A 30 -12.466 10.782 -27.561 1.00 65.40 N ATOM 399 CA ASP A 30 -13.265 9.843 -28.340 1.00 30.24 C ATOM 400 C ASP A 30 -12.490 9.349 -29.557 1.00 73.24 C ATOM 401 O ASP A 30 -12.311 8.146 -29.744 1.00 64.55 O ATOM 402 CB ASP A 30 -14.573 10.500 -28.784 1.00 21.33 C ATOM 403 CG ASP A 30 -15.665 9.485 -29.062 1.00 0.55 C ATOM 404 OD1 ASP A 30 -15.866 8.584 -28.220 1.00 52.34 O ATOM 405 OD2 ASP A 30 -16.319 9.593 -30.120 1.00 0.44 O ATOM 0 H ASP A 30 -12.862 11.720 -27.495 1.00 65.40 H new ATOM 0 HA ASP A 30 -13.495 8.986 -27.707 1.00 30.24 H new ATOM 0 HB2 ASP A 30 -14.911 11.190 -28.011 1.00 21.33 H new ATOM 0 HB3 ASP A 30 -14.393 11.091 -29.682 1.00 21.33 H new ATOM 410 N TRP A 31 -12.035 10.285 -30.382 1.00 54.10 N ATOM 411 CA TRP A 31 -11.281 9.945 -31.583 1.00 21.51 C ATOM 412 C TRP A 31 -10.472 11.140 -32.075 1.00 75.12 C ATOM 413 O TRP A 31 -10.392 11.393 -33.278 1.00 2.43 O ATOM 414 CB TRP A 31 -12.226 9.464 -32.685 1.00 34.10 C ATOM 415 CG TRP A 31 -11.552 8.609 -33.715 1.00 31.10 C ATOM 416 CD1 TRP A 31 -10.854 7.456 -33.494 1.00 4.53 C ATOM 417 CD2 TRP A 31 -11.511 8.840 -35.127 1.00 52.43 C ATOM 418 NE1 TRP A 31 -10.381 6.957 -34.684 1.00 1.55 N ATOM 419 CE2 TRP A 31 -10.771 7.788 -35.701 1.00 35.43 C ATOM 420 CE3 TRP A 31 -12.029 9.833 -35.963 1.00 71.05 C ATOM 421 CZ2 TRP A 31 -10.538 7.703 -37.071 1.00 25.44 C ATOM 422 CZ3 TRP A 31 -11.796 9.747 -37.323 1.00 2.32 C ATOM 423 CH2 TRP A 31 -11.056 8.688 -37.866 1.00 12.23 C ATOM 0 H TRP A 31 -12.175 11.285 -30.241 1.00 54.10 H new ATOM 0 HA TRP A 31 -10.589 9.141 -31.332 1.00 21.51 H new ATOM 0 HB2 TRP A 31 -13.042 8.900 -32.233 1.00 34.10 H new ATOM 0 HB3 TRP A 31 -12.670 10.330 -33.176 1.00 34.10 H new ATOM 0 HD1 TRP A 31 -10.697 7.003 -32.526 1.00 4.53 H new ATOM 0 HE1 TRP A 31 -9.829 6.106 -34.792 1.00 1.55 H new ATOM 0 HE3 TRP A 31 -12.601 10.653 -35.554 1.00 71.05 H new ATOM 0 HZ2 TRP A 31 -9.968 6.888 -37.491 1.00 25.44 H new ATOM 0 HZ3 TRP A 31 -12.191 10.509 -37.978 1.00 2.32 H new ATOM 0 HH2 TRP A 31 -10.892 8.649 -38.933 1.00 12.23 H new ATOM 434 N CYS A 32 -9.876 11.871 -31.140 1.00 21.50 N ATOM 435 CA CYS A 32 -9.074 13.040 -31.480 1.00 3.43 C ATOM 436 C CYS A 32 -7.660 12.632 -31.881 1.00 51.33 C ATOM 437 O CYS A 32 -7.201 11.527 -31.593 1.00 30.12 O ATOM 438 CB CYS A 32 -9.021 14.010 -30.298 1.00 34.42 C ATOM 439 SG CYS A 32 -10.338 15.249 -30.301 1.00 3.21 S ATOM 0 H CYS A 32 -9.933 11.675 -30.141 1.00 21.50 H new ATOM 0 HA CYS A 32 -9.544 13.537 -32.328 1.00 3.43 H new ATOM 0 HB2 CYS A 32 -9.075 13.440 -29.371 1.00 34.42 H new ATOM 0 HB3 CYS A 32 -8.057 14.519 -30.303 1.00 34.42 H new ATOM 0 HG CYS A 32 -10.210 16.021 -29.263 1.00 3.21 H new ATOM 445 N PRO A 33 -6.952 13.544 -32.565 1.00 34.12 N ATOM 446 CA PRO A 33 -5.581 13.301 -33.022 1.00 41.10 C ATOM 447 C PRO A 33 -4.586 13.250 -31.868 1.00 4.21 C ATOM 448 O PRO A 33 -3.498 12.688 -31.997 1.00 32.40 O ATOM 449 CB PRO A 33 -5.291 14.502 -33.926 1.00 25.11 C ATOM 450 CG PRO A 33 -6.195 15.577 -33.430 1.00 24.13 C ATOM 451 CD PRO A 33 -7.436 14.882 -32.943 1.00 54.15 C ATOM 0 HA PRO A 33 -5.483 12.339 -33.524 1.00 41.10 H new ATOM 0 HB2 PRO A 33 -4.245 14.803 -33.861 1.00 25.11 H new ATOM 0 HB3 PRO A 33 -5.491 14.268 -34.972 1.00 25.11 H new ATOM 0 HG2 PRO A 33 -5.724 16.143 -32.626 1.00 24.13 H new ATOM 0 HG3 PRO A 33 -6.431 16.286 -34.224 1.00 24.13 H new ATOM 0 HD2 PRO A 33 -7.881 15.402 -32.095 1.00 54.15 H new ATOM 0 HD3 PRO A 33 -8.198 14.829 -33.721 1.00 54.15 H new ATOM 459 N VAL A 34 -4.965 13.841 -30.739 1.00 45.11 N ATOM 460 CA VAL A 34 -4.106 13.861 -29.561 1.00 44.51 C ATOM 461 C VAL A 34 -4.119 12.514 -28.848 1.00 12.34 C ATOM 462 O VAL A 34 -3.085 12.039 -28.378 1.00 63.40 O ATOM 463 CB VAL A 34 -4.537 14.959 -28.571 1.00 14.05 C ATOM 464 CG1 VAL A 34 -4.355 16.337 -29.188 1.00 1.34 C ATOM 465 CG2 VAL A 34 -5.980 14.747 -28.137 1.00 21.15 C ATOM 0 H VAL A 34 -5.861 14.312 -30.615 1.00 45.11 H new ATOM 0 HA VAL A 34 -3.095 14.073 -29.910 1.00 44.51 H new ATOM 0 HB VAL A 34 -3.902 14.897 -27.687 1.00 14.05 H new ATOM 0 HG11 VAL A 34 -4.665 17.099 -28.473 1.00 1.34 H new ATOM 0 HG12 VAL A 34 -3.306 16.485 -29.445 1.00 1.34 H new ATOM 0 HG13 VAL A 34 -4.963 16.416 -30.089 1.00 1.34 H new ATOM 0 HG21 VAL A 34 -6.269 15.532 -27.438 1.00 21.15 H new ATOM 0 HG22 VAL A 34 -6.631 14.782 -29.010 1.00 21.15 H new ATOM 0 HG23 VAL A 34 -6.075 13.776 -27.652 1.00 21.15 H new ATOM 475 N CYS A 35 -5.296 11.904 -28.770 1.00 55.13 N ATOM 476 CA CYS A 35 -5.445 10.610 -28.113 1.00 54.34 C ATOM 477 C CYS A 35 -5.041 9.476 -29.049 1.00 74.31 C ATOM 478 O CYS A 35 -4.706 8.378 -28.603 1.00 73.04 O ATOM 479 CB CYS A 35 -6.889 10.414 -27.648 1.00 51.42 C ATOM 480 SG CYS A 35 -8.056 10.072 -28.986 1.00 62.53 S ATOM 0 H CYS A 35 -6.161 12.284 -29.153 1.00 55.13 H new ATOM 0 HA CYS A 35 -4.786 10.593 -27.245 1.00 54.34 H new ATOM 0 HB2 CYS A 35 -6.921 9.591 -26.934 1.00 51.42 H new ATOM 0 HB3 CYS A 35 -7.213 11.309 -27.118 1.00 51.42 H new ATOM 0 HG CYS A 35 -7.688 10.711 -30.057 1.00 62.53 H new ATOM 486 N LYS A 36 -5.077 9.747 -30.349 1.00 40.13 N ATOM 487 CA LYS A 36 -4.715 8.750 -31.350 1.00 32.13 C ATOM 488 C LYS A 36 -3.206 8.725 -31.573 1.00 14.35 C ATOM 489 O LYS A 36 -2.631 7.679 -31.871 1.00 24.34 O ATOM 490 CB LYS A 36 -5.432 9.039 -32.671 1.00 2.44 C ATOM 491 CG LYS A 36 -5.076 8.067 -33.782 1.00 20.35 C ATOM 492 CD LYS A 36 -4.202 8.722 -34.838 1.00 12.11 C ATOM 493 CE LYS A 36 -4.984 9.738 -35.656 1.00 12.42 C ATOM 494 NZ LYS A 36 -4.925 9.441 -37.114 1.00 31.33 N ATOM 0 H LYS A 36 -5.354 10.650 -30.735 1.00 40.13 H new ATOM 0 HA LYS A 36 -5.026 7.773 -30.981 1.00 32.13 H new ATOM 0 HB2 LYS A 36 -6.509 9.009 -32.504 1.00 2.44 H new ATOM 0 HB3 LYS A 36 -5.188 10.051 -32.993 1.00 2.44 H new ATOM 0 HG2 LYS A 36 -4.556 7.207 -33.361 1.00 20.35 H new ATOM 0 HG3 LYS A 36 -5.989 7.693 -34.245 1.00 20.35 H new ATOM 0 HD2 LYS A 36 -3.356 9.213 -34.358 1.00 12.11 H new ATOM 0 HD3 LYS A 36 -3.794 7.958 -35.499 1.00 12.11 H new ATOM 0 HE2 LYS A 36 -6.024 9.745 -35.329 1.00 12.42 H new ATOM 0 HE3 LYS A 36 -4.586 10.736 -35.472 1.00 12.42 H new ATOM 0 HZ1 LYS A 36 -5.470 10.156 -37.636 1.00 31.33 H new ATOM 0 HZ2 LYS A 36 -3.935 9.460 -37.432 1.00 31.33 H new ATOM 0 HZ3 LYS A 36 -5.329 8.499 -37.293 1.00 31.33 H new ATOM 508 N ARG A 37 -2.572 9.884 -31.425 1.00 20.43 N ATOM 509 CA ARG A 37 -1.130 9.994 -31.610 1.00 11.04 C ATOM 510 C ARG A 37 -0.391 9.706 -30.306 1.00 71.51 C ATOM 511 O ARG A 37 0.776 9.314 -30.317 1.00 54.02 O ATOM 512 CB ARG A 37 -0.765 11.390 -32.117 1.00 1.30 C ATOM 513 CG ARG A 37 0.709 11.550 -32.454 1.00 34.13 C ATOM 514 CD ARG A 37 0.919 11.769 -33.944 1.00 30.02 C ATOM 515 NE ARG A 37 1.191 13.169 -34.258 1.00 54.12 N ATOM 516 CZ ARG A 37 1.425 13.614 -35.488 1.00 14.23 C ATOM 517 NH1 ARG A 37 1.420 12.773 -36.513 1.00 13.32 N ATOM 518 NH2 ARG A 37 1.664 14.903 -35.694 1.00 33.03 N ATOM 0 H ARG A 37 -3.034 10.759 -31.178 1.00 20.43 H new ATOM 0 HA ARG A 37 -0.826 9.254 -32.351 1.00 11.04 H new ATOM 0 HB2 ARG A 37 -1.358 11.611 -33.004 1.00 1.30 H new ATOM 0 HB3 ARG A 37 -1.038 12.125 -31.360 1.00 1.30 H new ATOM 0 HG2 ARG A 37 1.121 12.393 -31.900 1.00 34.13 H new ATOM 0 HG3 ARG A 37 1.255 10.662 -32.135 1.00 34.13 H new ATOM 0 HD2 ARG A 37 1.750 11.152 -34.288 1.00 30.02 H new ATOM 0 HD3 ARG A 37 0.033 11.441 -34.487 1.00 30.02 H new ATOM 0 HE ARG A 37 1.202 13.842 -33.491 1.00 54.12 H new ATOM 0 HH11 ARG A 37 1.236 11.782 -36.358 1.00 13.32 H new ATOM 0 HH12 ARG A 37 1.600 13.117 -37.456 1.00 13.32 H new ATOM 0 HH21 ARG A 37 1.668 15.553 -34.908 1.00 33.03 H new ATOM 0 HH22 ARG A 37 1.844 15.244 -36.638 1.00 33.03 H new ATOM 532 N GLN A 38 -1.079 9.902 -29.186 1.00 2.40 N ATOM 533 CA GLN A 38 -0.487 9.664 -27.875 1.00 3.41 C ATOM 534 C GLN A 38 -0.577 8.190 -27.496 1.00 71.23 C ATOM 535 O GLN A 38 0.160 7.715 -26.633 1.00 12.33 O ATOM 536 CB GLN A 38 -1.183 10.519 -26.815 1.00 34.04 C ATOM 537 CG GLN A 38 -0.729 10.218 -25.396 1.00 5.24 C ATOM 538 CD GLN A 38 -0.530 11.473 -24.568 1.00 73.20 C ATOM 539 OE1 GLN A 38 -1.395 12.349 -24.530 1.00 71.43 O ATOM 540 NE2 GLN A 38 0.613 11.566 -23.899 1.00 13.43 N ATOM 0 H GLN A 38 -2.046 10.225 -29.160 1.00 2.40 H new ATOM 0 HA GLN A 38 0.565 9.944 -27.924 1.00 3.41 H new ATOM 0 HB2 GLN A 38 -0.999 11.571 -27.031 1.00 34.04 H new ATOM 0 HB3 GLN A 38 -2.260 10.363 -26.884 1.00 34.04 H new ATOM 0 HG2 GLN A 38 -1.467 9.580 -24.910 1.00 5.24 H new ATOM 0 HG3 GLN A 38 0.205 9.657 -25.429 1.00 5.24 H new ATOM 0 HE21 GLN A 38 1.302 10.816 -23.959 1.00 13.43 H new ATOM 0 HE22 GLN A 38 0.802 12.387 -23.325 1.00 13.43 H new ATOM 549 N GLU A 39 -1.486 7.471 -28.148 1.00 43.04 N ATOM 550 CA GLU A 39 -1.672 6.050 -27.878 1.00 53.32 C ATOM 551 C GLU A 39 -0.530 5.229 -28.470 1.00 0.33 C ATOM 552 O GLU A 39 -0.269 4.107 -28.037 1.00 35.42 O ATOM 553 CB GLU A 39 -3.008 5.571 -28.450 1.00 14.05 C ATOM 554 CG GLU A 39 -3.181 4.062 -28.410 1.00 31.10 C ATOM 555 CD GLU A 39 -4.636 3.639 -28.473 1.00 40.31 C ATOM 556 OE1 GLU A 39 -5.239 3.429 -27.400 1.00 12.32 O ATOM 557 OE2 GLU A 39 -5.171 3.518 -29.595 1.00 11.33 O ATOM 0 H GLU A 39 -2.104 7.849 -28.866 1.00 43.04 H new ATOM 0 HA GLU A 39 -1.675 5.909 -26.797 1.00 53.32 H new ATOM 0 HB2 GLU A 39 -3.820 6.036 -27.892 1.00 14.05 H new ATOM 0 HB3 GLU A 39 -3.095 5.911 -29.482 1.00 14.05 H new ATOM 0 HG2 GLU A 39 -2.641 3.616 -29.245 1.00 31.10 H new ATOM 0 HG3 GLU A 39 -2.733 3.673 -27.496 1.00 31.10 H new ATOM 564 N ARG A 40 0.147 5.798 -29.462 1.00 24.23 N ATOM 565 CA ARG A 40 1.260 5.119 -30.114 1.00 64.23 C ATOM 566 C ARG A 40 2.520 5.193 -29.257 1.00 24.53 C ATOM 567 O ARG A 40 3.381 4.316 -29.326 1.00 45.41 O ATOM 568 CB ARG A 40 1.528 5.737 -31.488 1.00 4.35 C ATOM 569 CG ARG A 40 2.328 7.028 -31.428 1.00 41.44 C ATOM 570 CD ARG A 40 3.819 6.768 -31.580 1.00 74.04 C ATOM 571 NE ARG A 40 4.548 7.972 -31.969 1.00 11.34 N ATOM 572 CZ ARG A 40 4.554 8.461 -33.204 1.00 3.54 C ATOM 573 NH1 ARG A 40 3.874 7.853 -34.165 1.00 33.31 N ATOM 574 NH2 ARG A 40 5.242 9.562 -33.479 1.00 2.21 N ATOM 0 H ARG A 40 -0.056 6.727 -29.831 1.00 24.23 H new ATOM 0 HA ARG A 40 0.989 4.071 -30.241 1.00 64.23 H new ATOM 0 HB2 ARG A 40 2.064 5.015 -32.104 1.00 4.35 H new ATOM 0 HB3 ARG A 40 0.576 5.932 -31.982 1.00 4.35 H new ATOM 0 HG2 ARG A 40 1.993 7.702 -32.217 1.00 41.44 H new ATOM 0 HG3 ARG A 40 2.140 7.530 -30.479 1.00 41.44 H new ATOM 0 HD2 ARG A 40 4.219 6.390 -30.639 1.00 74.04 H new ATOM 0 HD3 ARG A 40 3.977 5.991 -32.328 1.00 74.04 H new ATOM 0 HE ARG A 40 5.082 8.465 -31.253 1.00 11.34 H new ATOM 0 HH11 ARG A 40 3.344 7.007 -33.958 1.00 33.31 H new ATOM 0 HH12 ARG A 40 3.881 8.231 -35.112 1.00 33.31 H new ATOM 0 HH21 ARG A 40 5.767 10.033 -32.742 1.00 2.21 H new ATOM 0 HH22 ARG A 40 5.246 9.937 -34.428 1.00 2.21 H new ATOM 588 N GLU A 41 2.620 6.244 -28.450 1.00 1.24 N ATOM 589 CA GLU A 41 3.775 6.432 -27.580 1.00 45.11 C ATOM 590 C GLU A 41 3.547 5.775 -26.222 1.00 61.41 C ATOM 591 O GLU A 41 4.424 5.789 -25.357 1.00 51.31 O ATOM 592 CB GLU A 41 4.065 7.923 -27.395 1.00 1.12 C ATOM 593 CG GLU A 41 2.844 8.736 -26.997 1.00 62.54 C ATOM 594 CD GLU A 41 3.197 10.146 -26.565 1.00 60.44 C ATOM 595 OE1 GLU A 41 4.268 10.640 -26.975 1.00 4.13 O ATOM 596 OE2 GLU A 41 2.403 10.754 -25.818 1.00 51.14 O ATOM 0 H GLU A 41 1.915 6.978 -28.380 1.00 1.24 H new ATOM 0 HA GLU A 41 4.635 5.958 -28.054 1.00 45.11 H new ATOM 0 HB2 GLU A 41 4.835 8.043 -26.633 1.00 1.12 H new ATOM 0 HB3 GLU A 41 4.471 8.324 -28.324 1.00 1.12 H new ATOM 0 HG2 GLU A 41 2.152 8.780 -27.838 1.00 62.54 H new ATOM 0 HG3 GLU A 41 2.325 8.230 -26.183 1.00 62.54 H new ATOM 603 N LEU A 42 2.364 5.199 -26.042 1.00 34.11 N ATOM 604 CA LEU A 42 2.018 4.536 -24.789 1.00 61.12 C ATOM 605 C LEU A 42 2.970 3.378 -24.505 1.00 50.42 C ATOM 606 O LEU A 42 3.037 2.875 -23.383 1.00 54.40 O ATOM 607 CB LEU A 42 0.577 4.025 -24.840 1.00 40.31 C ATOM 608 CG LEU A 42 0.402 2.542 -25.168 1.00 54.22 C ATOM 609 CD1 LEU A 42 0.465 1.704 -23.901 1.00 15.01 C ATOM 610 CD2 LEU A 42 -0.913 2.310 -25.899 1.00 62.51 C ATOM 0 H LEU A 42 1.628 5.177 -26.748 1.00 34.11 H new ATOM 0 HA LEU A 42 2.110 5.265 -23.984 1.00 61.12 H new ATOM 0 HB2 LEU A 42 0.109 4.221 -23.875 1.00 40.31 H new ATOM 0 HB3 LEU A 42 0.032 4.608 -25.583 1.00 40.31 H new ATOM 0 HG LEU A 42 1.218 2.235 -25.822 1.00 54.22 H new ATOM 0 HD11 LEU A 42 0.338 0.651 -24.154 1.00 15.01 H new ATOM 0 HD12 LEU A 42 1.431 1.847 -23.418 1.00 15.01 H new ATOM 0 HD13 LEU A 42 -0.330 2.012 -23.221 1.00 15.01 H new ATOM 0 HD21 LEU A 42 -1.021 1.249 -26.125 1.00 62.51 H new ATOM 0 HD22 LEU A 42 -1.742 2.633 -25.269 1.00 62.51 H new ATOM 0 HD23 LEU A 42 -0.919 2.881 -26.827 1.00 62.51 H new ATOM 622 N THR A 43 3.708 2.961 -25.529 1.00 72.32 N ATOM 623 CA THR A 43 4.657 1.864 -25.390 1.00 61.40 C ATOM 624 C THR A 43 5.984 2.353 -24.820 1.00 54.24 C ATOM 625 O THR A 43 6.405 1.955 -23.734 1.00 51.41 O ATOM 626 CB THR A 43 4.916 1.170 -26.741 1.00 1.02 C ATOM 627 OG1 THR A 43 4.244 1.875 -27.790 1.00 72.13 O ATOM 628 CG2 THR A 43 4.440 -0.275 -26.707 1.00 43.54 C ATOM 0 H THR A 43 3.666 3.367 -26.464 1.00 72.32 H new ATOM 0 HA THR A 43 4.211 1.147 -24.701 1.00 61.40 H new ATOM 0 HB THR A 43 5.990 1.177 -26.929 1.00 1.02 H new ATOM 0 HG1 THR A 43 4.415 1.429 -28.646 1.00 72.13 H new ATOM 0 HG21 THR A 43 4.633 -0.745 -27.672 1.00 43.54 H new ATOM 0 HG22 THR A 43 4.975 -0.816 -25.926 1.00 43.54 H new ATOM 0 HG23 THR A 43 3.370 -0.301 -26.499 1.00 43.54 H new ATOM 636 N PRO A 44 6.659 3.238 -25.569 1.00 22.13 N ATOM 637 CA PRO A 44 7.948 3.802 -25.157 1.00 20.01 C ATOM 638 C PRO A 44 7.812 4.757 -23.976 1.00 21.33 C ATOM 639 O PRO A 44 8.626 4.736 -23.051 1.00 15.31 O ATOM 640 CB PRO A 44 8.419 4.556 -26.403 1.00 4.33 C ATOM 641 CG PRO A 44 7.168 4.890 -27.140 1.00 23.25 C ATOM 642 CD PRO A 44 6.217 3.756 -26.874 1.00 53.20 C ATOM 0 HA PRO A 44 8.642 3.031 -24.820 1.00 20.01 H new ATOM 0 HB2 PRO A 44 8.973 5.456 -26.135 1.00 4.33 H new ATOM 0 HB3 PRO A 44 9.084 3.941 -27.010 1.00 4.33 H new ATOM 0 HG2 PRO A 44 6.753 5.837 -26.795 1.00 23.25 H new ATOM 0 HG3 PRO A 44 7.360 4.996 -28.208 1.00 23.25 H new ATOM 0 HD2 PRO A 44 5.183 4.099 -26.841 1.00 53.20 H new ATOM 0 HD3 PRO A 44 6.275 2.993 -27.650 1.00 53.20 H new ATOM 650 N LEU A 45 6.780 5.592 -24.012 1.00 51.10 N ATOM 651 CA LEU A 45 6.537 6.555 -22.943 1.00 51.04 C ATOM 652 C LEU A 45 6.302 5.845 -21.614 1.00 10.31 C ATOM 653 O LEU A 45 6.466 6.435 -20.546 1.00 3.12 O ATOM 654 CB LEU A 45 5.332 7.433 -23.286 1.00 1.23 C ATOM 655 CG LEU A 45 5.256 8.779 -22.565 1.00 4.53 C ATOM 656 CD1 LEU A 45 5.650 9.910 -23.503 1.00 10.15 C ATOM 657 CD2 LEU A 45 3.859 9.008 -22.008 1.00 10.35 C ATOM 0 H LEU A 45 6.098 5.622 -24.770 1.00 51.10 H new ATOM 0 HA LEU A 45 7.422 7.184 -22.846 1.00 51.04 H new ATOM 0 HB2 LEU A 45 5.337 7.619 -24.360 1.00 1.23 H new ATOM 0 HB3 LEU A 45 4.424 6.872 -23.063 1.00 1.23 H new ATOM 0 HG LEU A 45 5.959 8.763 -21.732 1.00 4.53 H new ATOM 0 HD11 LEU A 45 5.590 10.860 -22.972 1.00 10.15 H new ATOM 0 HD12 LEU A 45 6.670 9.754 -23.853 1.00 10.15 H new ATOM 0 HD13 LEU A 45 4.972 9.928 -24.357 1.00 10.15 H new ATOM 0 HD21 LEU A 45 3.824 9.971 -21.498 1.00 10.35 H new ATOM 0 HD22 LEU A 45 3.137 9.003 -22.824 1.00 10.35 H new ATOM 0 HD23 LEU A 45 3.614 8.215 -21.302 1.00 10.35 H new ATOM 669 N PHE A 46 5.918 4.575 -21.687 1.00 25.01 N ATOM 670 CA PHE A 46 5.662 3.784 -20.489 1.00 61.21 C ATOM 671 C PHE A 46 6.651 2.627 -20.379 1.00 43.13 C ATOM 672 O PHE A 46 6.474 1.720 -19.567 1.00 5.25 O ATOM 673 CB PHE A 46 4.230 3.245 -20.505 1.00 1.23 C ATOM 674 CG PHE A 46 3.184 4.322 -20.449 1.00 21.31 C ATOM 675 CD1 PHE A 46 2.449 4.533 -19.294 1.00 30.44 C ATOM 676 CD2 PHE A 46 2.936 5.122 -21.552 1.00 53.41 C ATOM 677 CE1 PHE A 46 1.486 5.523 -19.239 1.00 30.43 C ATOM 678 CE2 PHE A 46 1.974 6.114 -21.503 1.00 44.10 C ATOM 679 CZ PHE A 46 1.248 6.314 -20.345 1.00 72.34 C ATOM 0 H PHE A 46 5.777 4.072 -22.563 1.00 25.01 H new ATOM 0 HA PHE A 46 5.790 4.432 -19.622 1.00 61.21 H new ATOM 0 HB2 PHE A 46 4.083 2.653 -21.409 1.00 1.23 H new ATOM 0 HB3 PHE A 46 4.094 2.573 -19.658 1.00 1.23 H new ATOM 0 HD1 PHE A 46 2.631 3.917 -18.426 1.00 30.44 H new ATOM 0 HD2 PHE A 46 3.500 4.969 -22.460 1.00 53.41 H new ATOM 0 HE1 PHE A 46 0.921 5.677 -18.332 1.00 30.43 H new ATOM 0 HE2 PHE A 46 1.790 6.732 -22.369 1.00 44.10 H new ATOM 0 HZ PHE A 46 0.496 7.088 -20.305 1.00 72.34 H new ATOM 689 N ALA A 47 7.693 2.667 -21.204 1.00 74.31 N ATOM 690 CA ALA A 47 8.711 1.624 -21.199 1.00 71.25 C ATOM 691 C ALA A 47 9.800 1.924 -20.175 1.00 14.02 C ATOM 692 O ALA A 47 10.650 1.080 -19.895 1.00 62.11 O ATOM 693 CB ALA A 47 9.317 1.471 -22.587 1.00 13.42 C ATOM 0 H ALA A 47 7.854 3.410 -21.884 1.00 74.31 H new ATOM 0 HA ALA A 47 8.233 0.686 -20.918 1.00 71.25 H new ATOM 0 HB1 ALA A 47 10.076 0.689 -22.569 1.00 13.42 H new ATOM 0 HB2 ALA A 47 8.535 1.202 -23.298 1.00 13.42 H new ATOM 0 HB3 ALA A 47 9.774 2.413 -22.890 1.00 13.42 H new ATOM 699 N GLN A 48 9.767 3.131 -19.620 1.00 15.24 N ATOM 700 CA GLN A 48 10.752 3.542 -18.627 1.00 3.11 C ATOM 701 C GLN A 48 10.756 2.589 -17.436 1.00 72.13 C ATOM 702 O GLN A 48 9.750 1.955 -17.114 1.00 45.23 O ATOM 703 CB GLN A 48 10.466 4.968 -18.153 1.00 10.01 C ATOM 704 CG GLN A 48 10.347 5.974 -19.287 1.00 33.43 C ATOM 705 CD GLN A 48 11.512 5.904 -20.254 1.00 23.15 C ATOM 706 OE1 GLN A 48 11.323 5.825 -21.468 1.00 11.03 O ATOM 707 NE2 GLN A 48 12.728 5.933 -19.719 1.00 74.12 N ATOM 0 H GLN A 48 9.069 3.841 -19.841 1.00 15.24 H new ATOM 0 HA GLN A 48 11.736 3.513 -19.095 1.00 3.11 H new ATOM 0 HB2 GLN A 48 9.541 4.972 -17.577 1.00 10.01 H new ATOM 0 HB3 GLN A 48 11.262 5.285 -17.480 1.00 10.01 H new ATOM 0 HG2 GLN A 48 9.418 5.796 -19.829 1.00 33.43 H new ATOM 0 HG3 GLN A 48 10.285 6.979 -18.871 1.00 33.43 H new ATOM 0 HE21 GLN A 48 12.839 5.999 -18.707 1.00 74.12 H new ATOM 0 HE22 GLN A 48 13.551 5.889 -20.320 1.00 74.12 H new ATOM 716 N PRO A 49 11.913 2.483 -16.766 1.00 14.12 N ATOM 717 CA PRO A 49 12.075 1.609 -15.600 1.00 51.30 C ATOM 718 C PRO A 49 11.304 2.114 -14.385 1.00 51.33 C ATOM 719 O PRO A 49 11.139 1.395 -13.400 1.00 43.51 O ATOM 720 CB PRO A 49 13.581 1.651 -15.332 1.00 64.14 C ATOM 721 CG PRO A 49 14.032 2.952 -15.902 1.00 75.20 C ATOM 722 CD PRO A 49 13.151 3.209 -17.094 1.00 23.32 C ATOM 0 HA PRO A 49 11.689 0.607 -15.785 1.00 51.30 H new ATOM 0 HB2 PRO A 49 13.795 1.591 -14.265 1.00 64.14 H new ATOM 0 HB3 PRO A 49 14.091 0.813 -15.807 1.00 64.14 H new ATOM 0 HG2 PRO A 49 13.939 3.753 -15.168 1.00 75.20 H new ATOM 0 HG3 PRO A 49 15.081 2.907 -16.194 1.00 75.20 H new ATOM 0 HD2 PRO A 49 12.967 4.274 -17.235 1.00 23.32 H new ATOM 0 HD3 PRO A 49 13.602 2.839 -18.014 1.00 23.32 H new ATOM 730 N ALA A 50 10.833 3.355 -14.463 1.00 20.32 N ATOM 731 CA ALA A 50 10.077 3.954 -13.370 1.00 41.43 C ATOM 732 C ALA A 50 8.583 3.695 -13.529 1.00 52.35 C ATOM 733 O ALA A 50 7.795 3.984 -12.629 1.00 70.41 O ATOM 734 CB ALA A 50 10.351 5.449 -13.298 1.00 13.44 C ATOM 0 H ALA A 50 10.962 3.964 -15.271 1.00 20.32 H new ATOM 0 HA ALA A 50 10.402 3.490 -12.439 1.00 41.43 H new ATOM 0 HB1 ALA A 50 9.780 5.884 -12.478 1.00 13.44 H new ATOM 0 HB2 ALA A 50 11.415 5.616 -13.129 1.00 13.44 H new ATOM 0 HB3 ALA A 50 10.054 5.919 -14.236 1.00 13.44 H new ATOM 740 N GLN A 51 8.201 3.151 -14.680 1.00 73.30 N ATOM 741 CA GLN A 51 6.800 2.855 -14.956 1.00 70.55 C ATOM 742 C GLN A 51 6.279 1.766 -14.024 1.00 3.03 C ATOM 743 O GLN A 51 5.072 1.552 -13.917 1.00 13.02 O ATOM 744 CB GLN A 51 6.626 2.421 -16.413 1.00 24.40 C ATOM 745 CG GLN A 51 7.063 0.988 -16.677 1.00 55.52 C ATOM 746 CD GLN A 51 5.890 0.043 -16.847 1.00 54.21 C ATOM 747 OE1 GLN A 51 4.889 0.143 -16.137 1.00 13.31 O ATOM 748 NE2 GLN A 51 6.007 -0.882 -17.792 1.00 71.22 N ATOM 0 H GLN A 51 8.841 2.907 -15.436 1.00 73.30 H new ATOM 0 HA GLN A 51 6.223 3.763 -14.783 1.00 70.55 H new ATOM 0 HB2 GLN A 51 5.578 2.530 -16.693 1.00 24.40 H new ATOM 0 HB3 GLN A 51 7.199 3.091 -17.054 1.00 24.40 H new ATOM 0 HG2 GLN A 51 7.681 0.960 -17.575 1.00 55.52 H new ATOM 0 HG3 GLN A 51 7.685 0.644 -15.851 1.00 55.52 H new ATOM 0 HE21 GLN A 51 6.855 -0.929 -18.358 1.00 71.22 H new ATOM 0 HE22 GLN A 51 5.249 -1.546 -17.953 1.00 71.22 H new ATOM 757 N ARG A 52 7.198 1.081 -13.351 1.00 22.01 N ATOM 758 CA ARG A 52 6.832 0.013 -12.428 1.00 54.32 C ATOM 759 C ARG A 52 6.449 0.581 -11.065 1.00 32.25 C ATOM 760 O ARG A 52 5.653 -0.012 -10.335 1.00 42.05 O ATOM 761 CB ARG A 52 7.988 -0.976 -12.274 1.00 61.24 C ATOM 762 CG ARG A 52 7.785 -1.981 -11.152 1.00 11.31 C ATOM 763 CD ARG A 52 6.506 -2.781 -11.345 1.00 3.21 C ATOM 764 NE ARG A 52 6.679 -4.184 -10.980 1.00 74.42 N ATOM 765 CZ ARG A 52 5.709 -5.089 -11.059 1.00 13.40 C ATOM 766 NH1 ARG A 52 4.504 -4.738 -11.488 1.00 0.24 N ATOM 767 NH2 ARG A 52 5.943 -6.347 -10.709 1.00 10.10 N ATOM 0 H ARG A 52 8.202 1.247 -13.428 1.00 22.01 H new ATOM 0 HA ARG A 52 5.969 -0.510 -12.840 1.00 54.32 H new ATOM 0 HB2 ARG A 52 8.122 -1.514 -13.212 1.00 61.24 H new ATOM 0 HB3 ARG A 52 8.908 -0.421 -12.091 1.00 61.24 H new ATOM 0 HG2 ARG A 52 8.637 -2.659 -11.111 1.00 11.31 H new ATOM 0 HG3 ARG A 52 7.748 -1.458 -10.196 1.00 11.31 H new ATOM 0 HD2 ARG A 52 5.711 -2.345 -10.741 1.00 3.21 H new ATOM 0 HD3 ARG A 52 6.189 -2.713 -12.386 1.00 3.21 H new ATOM 0 HE ARG A 52 7.594 -4.486 -10.646 1.00 74.42 H new ATOM 0 HH11 ARG A 52 4.320 -3.772 -11.758 1.00 0.24 H new ATOM 0 HH12 ARG A 52 3.761 -5.434 -11.548 1.00 0.24 H new ATOM 0 HH21 ARG A 52 6.868 -6.621 -10.379 1.00 10.10 H new ATOM 0 HH22 ARG A 52 5.198 -7.040 -10.770 1.00 10.10 H new ATOM 781 N ASP A 53 7.021 1.731 -10.727 1.00 14.33 N ATOM 782 CA ASP A 53 6.739 2.379 -9.451 1.00 42.41 C ATOM 783 C ASP A 53 6.002 3.698 -9.662 1.00 74.05 C ATOM 784 O ASP A 53 5.791 4.462 -8.720 1.00 2.14 O ATOM 785 CB ASP A 53 8.038 2.625 -8.682 1.00 22.00 C ATOM 786 CG ASP A 53 8.326 1.535 -7.668 1.00 15.20 C ATOM 787 OD1 ASP A 53 7.926 0.377 -7.912 1.00 12.24 O ATOM 788 OD2 ASP A 53 8.951 1.840 -6.631 1.00 52.11 O ATOM 0 H ASP A 53 7.683 2.234 -11.318 1.00 14.33 H new ATOM 0 HA ASP A 53 6.100 1.715 -8.868 1.00 42.41 H new ATOM 0 HB2 ASP A 53 8.867 2.690 -9.387 1.00 22.00 H new ATOM 0 HB3 ASP A 53 7.978 3.586 -8.171 1.00 22.00 H new ATOM 793 N LEU A 54 5.612 3.959 -10.905 1.00 42.23 N ATOM 794 CA LEU A 54 4.899 5.186 -11.242 1.00 14.55 C ATOM 795 C LEU A 54 3.449 4.890 -11.610 1.00 74.31 C ATOM 796 O LEU A 54 3.176 4.217 -12.605 1.00 13.53 O ATOM 797 CB LEU A 54 5.595 5.903 -12.400 1.00 13.53 C ATOM 798 CG LEU A 54 4.755 6.937 -13.151 1.00 10.32 C ATOM 799 CD1 LEU A 54 4.107 7.909 -12.176 1.00 61.44 C ATOM 800 CD2 LEU A 54 5.610 7.685 -14.163 1.00 42.31 C ATOM 0 H LEU A 54 5.778 3.337 -11.696 1.00 42.23 H new ATOM 0 HA LEU A 54 4.907 5.833 -10.365 1.00 14.55 H new ATOM 0 HB2 LEU A 54 6.484 6.400 -12.012 1.00 13.53 H new ATOM 0 HB3 LEU A 54 5.935 5.153 -13.114 1.00 13.53 H new ATOM 0 HG LEU A 54 3.965 6.413 -13.689 1.00 10.32 H new ATOM 0 HD11 LEU A 54 3.513 8.637 -12.729 1.00 61.44 H new ATOM 0 HD12 LEU A 54 3.462 7.360 -11.490 1.00 61.44 H new ATOM 0 HD13 LEU A 54 4.881 8.427 -11.610 1.00 61.44 H new ATOM 0 HD21 LEU A 54 4.996 8.417 -14.688 1.00 42.31 H new ATOM 0 HD22 LEU A 54 6.422 8.197 -13.646 1.00 42.31 H new ATOM 0 HD23 LEU A 54 6.026 6.978 -14.881 1.00 42.31 H new ATOM 812 N ARG A 55 2.523 5.397 -10.803 1.00 54.20 N ATOM 813 CA ARG A 55 1.100 5.187 -11.045 1.00 3.31 C ATOM 814 C ARG A 55 0.670 5.839 -12.356 1.00 12.03 C ATOM 815 O ARG A 55 1.474 6.473 -13.039 1.00 55.24 O ATOM 816 CB ARG A 55 0.275 5.752 -9.887 1.00 45.40 C ATOM 817 CG ARG A 55 0.134 4.794 -8.715 1.00 43.45 C ATOM 818 CD ARG A 55 1.435 4.670 -7.938 1.00 22.41 C ATOM 819 NE ARG A 55 1.228 4.806 -6.499 1.00 11.42 N ATOM 820 CZ ARG A 55 2.104 4.398 -5.588 1.00 23.10 C ATOM 821 NH1 ARG A 55 3.242 3.830 -5.965 1.00 53.43 N ATOM 822 NH2 ARG A 55 1.844 4.557 -4.297 1.00 0.24 N ATOM 0 H ARG A 55 2.732 5.956 -9.976 1.00 54.20 H new ATOM 0 HA ARG A 55 0.924 4.114 -11.118 1.00 3.31 H new ATOM 0 HB2 ARG A 55 0.739 6.674 -9.538 1.00 45.40 H new ATOM 0 HB3 ARG A 55 -0.718 6.013 -10.253 1.00 45.40 H new ATOM 0 HG2 ARG A 55 -0.656 5.144 -8.051 1.00 43.45 H new ATOM 0 HG3 ARG A 55 -0.168 3.812 -9.080 1.00 43.45 H new ATOM 0 HD2 ARG A 55 1.892 3.703 -8.149 1.00 22.41 H new ATOM 0 HD3 ARG A 55 2.134 5.434 -8.277 1.00 22.41 H new ATOM 0 HE ARG A 55 0.363 5.238 -6.176 1.00 11.42 H new ATOM 0 HH11 ARG A 55 3.446 3.706 -6.957 1.00 53.43 H new ATOM 0 HH12 ARG A 55 3.913 3.518 -5.263 1.00 53.43 H new ATOM 0 HH21 ARG A 55 0.970 4.993 -4.003 1.00 0.24 H new ATOM 0 HH22 ARG A 55 2.518 4.243 -3.599 1.00 0.24 H new ATOM 836 N VAL A 56 -0.604 5.678 -12.701 1.00 21.24 N ATOM 837 CA VAL A 56 -1.142 6.251 -13.929 1.00 22.53 C ATOM 838 C VAL A 56 -2.640 6.503 -13.807 1.00 74.42 C ATOM 839 O VAL A 56 -3.418 5.581 -13.559 1.00 22.32 O ATOM 840 CB VAL A 56 -0.883 5.331 -15.137 1.00 73.01 C ATOM 841 CG1 VAL A 56 -1.264 3.896 -14.807 1.00 71.22 C ATOM 842 CG2 VAL A 56 -1.646 5.827 -16.356 1.00 70.12 C ATOM 0 H VAL A 56 -1.283 5.155 -12.147 1.00 21.24 H new ATOM 0 HA VAL A 56 -0.629 7.200 -14.088 1.00 22.53 H new ATOM 0 HB VAL A 56 0.182 5.354 -15.368 1.00 73.01 H new ATOM 0 HG11 VAL A 56 -1.074 3.261 -15.672 1.00 71.22 H new ATOM 0 HG12 VAL A 56 -0.669 3.547 -13.963 1.00 71.22 H new ATOM 0 HG13 VAL A 56 -2.322 3.851 -14.549 1.00 71.22 H new ATOM 0 HG21 VAL A 56 -1.452 5.166 -17.201 1.00 70.12 H new ATOM 0 HG22 VAL A 56 -2.714 5.834 -16.139 1.00 70.12 H new ATOM 0 HG23 VAL A 56 -1.319 6.837 -16.603 1.00 70.12 H new ATOM 852 N PHE A 57 -3.040 7.757 -13.985 1.00 10.54 N ATOM 853 CA PHE A 57 -4.447 8.132 -13.894 1.00 65.14 C ATOM 854 C PHE A 57 -4.972 8.602 -15.248 1.00 20.04 C ATOM 855 O PHE A 57 -4.392 9.486 -15.879 1.00 74.21 O ATOM 856 CB PHE A 57 -4.637 9.234 -12.850 1.00 21.20 C ATOM 857 CG PHE A 57 -5.879 10.052 -13.061 1.00 62.31 C ATOM 858 CD1 PHE A 57 -7.132 9.496 -12.862 1.00 14.34 C ATOM 859 CD2 PHE A 57 -5.793 11.376 -13.460 1.00 24.03 C ATOM 860 CE1 PHE A 57 -8.277 10.246 -13.055 1.00 13.43 C ATOM 861 CE2 PHE A 57 -6.934 12.131 -13.654 1.00 22.12 C ATOM 862 CZ PHE A 57 -8.178 11.565 -13.452 1.00 43.23 C ATOM 0 H PHE A 57 -2.410 8.532 -14.193 1.00 10.54 H new ATOM 0 HA PHE A 57 -5.013 7.252 -13.589 1.00 65.14 H new ATOM 0 HB2 PHE A 57 -4.673 8.782 -11.859 1.00 21.20 H new ATOM 0 HB3 PHE A 57 -3.770 9.894 -12.868 1.00 21.20 H new ATOM 0 HD1 PHE A 57 -7.215 8.465 -12.552 1.00 14.34 H new ATOM 0 HD2 PHE A 57 -4.823 11.823 -13.621 1.00 24.03 H new ATOM 0 HE1 PHE A 57 -9.248 9.801 -12.895 1.00 13.43 H new ATOM 0 HE2 PHE A 57 -6.853 13.163 -13.963 1.00 22.12 H new ATOM 0 HZ PHE A 57 -9.071 12.153 -13.604 1.00 43.23 H new ATOM 872 N LYS A 58 -6.074 8.004 -15.688 1.00 1.02 N ATOM 873 CA LYS A 58 -6.680 8.360 -16.965 1.00 70.02 C ATOM 874 C LYS A 58 -7.860 9.306 -16.763 1.00 63.50 C ATOM 875 O LYS A 58 -8.723 9.065 -15.919 1.00 53.22 O ATOM 876 CB LYS A 58 -7.142 7.101 -17.702 1.00 74.02 C ATOM 877 CG LYS A 58 -7.531 7.351 -19.149 1.00 15.41 C ATOM 878 CD LYS A 58 -6.405 6.984 -20.101 1.00 15.22 C ATOM 879 CE LYS A 58 -6.751 5.753 -20.925 1.00 13.42 C ATOM 880 NZ LYS A 58 -5.606 4.806 -21.013 1.00 71.44 N ATOM 0 H LYS A 58 -6.566 7.270 -15.178 1.00 1.02 H new ATOM 0 HA LYS A 58 -5.927 8.870 -17.566 1.00 70.02 H new ATOM 0 HB2 LYS A 58 -6.344 6.359 -17.672 1.00 74.02 H new ATOM 0 HB3 LYS A 58 -7.994 6.673 -17.174 1.00 74.02 H new ATOM 0 HG2 LYS A 58 -8.420 6.769 -19.394 1.00 15.41 H new ATOM 0 HG3 LYS A 58 -7.792 8.401 -19.280 1.00 15.41 H new ATOM 0 HD2 LYS A 58 -6.202 7.823 -20.766 1.00 15.22 H new ATOM 0 HD3 LYS A 58 -5.493 6.799 -19.533 1.00 15.22 H new ATOM 0 HE2 LYS A 58 -7.608 5.247 -20.480 1.00 13.42 H new ATOM 0 HE3 LYS A 58 -7.047 6.059 -21.928 1.00 13.42 H new ATOM 0 HZ1 LYS A 58 -5.881 3.980 -21.582 1.00 71.44 H new ATOM 0 HZ2 LYS A 58 -4.796 5.281 -21.461 1.00 71.44 H new ATOM 0 HZ3 LYS A 58 -5.339 4.494 -20.057 1.00 71.44 H new ATOM 894 N VAL A 59 -7.891 10.381 -17.544 1.00 1.14 N ATOM 895 CA VAL A 59 -8.966 11.361 -17.452 1.00 12.42 C ATOM 896 C VAL A 59 -9.601 11.611 -18.815 1.00 64.45 C ATOM 897 O VAL A 59 -8.967 12.162 -19.714 1.00 71.25 O ATOM 898 CB VAL A 59 -8.459 12.699 -16.882 1.00 1.34 C ATOM 899 CG1 VAL A 59 -7.146 13.097 -17.540 1.00 34.14 C ATOM 900 CG2 VAL A 59 -9.507 13.787 -17.063 1.00 62.11 C ATOM 0 H VAL A 59 -7.184 10.595 -18.247 1.00 1.14 H new ATOM 0 HA VAL A 59 -9.714 10.946 -16.776 1.00 12.42 H new ATOM 0 HB VAL A 59 -8.279 12.574 -15.814 1.00 1.34 H new ATOM 0 HG11 VAL A 59 -6.803 14.045 -17.125 1.00 34.14 H new ATOM 0 HG12 VAL A 59 -6.397 12.327 -17.353 1.00 34.14 H new ATOM 0 HG13 VAL A 59 -7.295 13.205 -18.614 1.00 34.14 H new ATOM 0 HG21 VAL A 59 -9.132 14.725 -16.655 1.00 62.11 H new ATOM 0 HG22 VAL A 59 -9.721 13.913 -18.124 1.00 62.11 H new ATOM 0 HG23 VAL A 59 -10.420 13.503 -16.540 1.00 62.11 H new ATOM 910 N ASN A 60 -10.856 11.201 -18.962 1.00 34.14 N ATOM 911 CA ASN A 60 -11.578 11.380 -20.217 1.00 24.45 C ATOM 912 C ASN A 60 -12.262 12.743 -20.261 1.00 63.44 C ATOM 913 O ASN A 60 -12.600 13.314 -19.225 1.00 3.15 O ATOM 914 CB ASN A 60 -12.615 10.270 -20.395 1.00 73.41 C ATOM 915 CG ASN A 60 -12.156 9.200 -21.367 1.00 31.32 C ATOM 916 OD1 ASN A 60 -10.915 8.754 -21.212 1.00 2.15 O flip ATOM 917 ND2 ASN A 60 -12.909 8.779 -22.246 1.00 62.14 N flip ATOM 0 H ASN A 60 -11.395 10.742 -18.228 1.00 34.14 H new ATOM 0 HA ASN A 60 -10.857 11.329 -21.033 1.00 24.45 H new ATOM 0 HB2 ASN A 60 -12.824 9.813 -19.428 1.00 73.41 H new ATOM 0 HB3 ASN A 60 -13.550 10.703 -20.751 1.00 73.41 H new ATOM 0 HD21 ASN A 60 -13.855 9.151 -22.328 1.00 62.14 H new ATOM 0 HD22 ASN A 60 -12.586 8.058 -22.892 1.00 62.14 H new ATOM 924 N PHE A 61 -12.463 13.258 -21.470 1.00 32.14 N ATOM 925 CA PHE A 61 -13.107 14.554 -21.650 1.00 63.14 C ATOM 926 C PHE A 61 -14.508 14.554 -21.047 1.00 54.14 C ATOM 927 O PHE A 61 -15.106 15.610 -20.838 1.00 42.14 O ATOM 928 CB PHE A 61 -13.179 14.908 -23.137 1.00 41.32 C ATOM 929 CG PHE A 61 -14.200 14.109 -23.895 1.00 14.31 C ATOM 930 CD1 PHE A 61 -15.453 14.638 -24.163 1.00 30.54 C ATOM 931 CD2 PHE A 61 -13.908 12.830 -24.339 1.00 71.20 C ATOM 932 CE1 PHE A 61 -16.395 13.905 -24.860 1.00 52.10 C ATOM 933 CE2 PHE A 61 -14.846 12.093 -25.037 1.00 70.12 C ATOM 934 CZ PHE A 61 -16.091 12.631 -25.297 1.00 35.31 C ATOM 0 H PHE A 61 -12.190 12.798 -22.338 1.00 32.14 H new ATOM 0 HA PHE A 61 -12.509 15.304 -21.133 1.00 63.14 H new ATOM 0 HB2 PHE A 61 -13.410 15.968 -23.239 1.00 41.32 H new ATOM 0 HB3 PHE A 61 -12.199 14.751 -23.587 1.00 41.32 H new ATOM 0 HD1 PHE A 61 -15.696 15.634 -23.823 1.00 30.54 H new ATOM 0 HD2 PHE A 61 -12.936 12.404 -24.138 1.00 71.20 H new ATOM 0 HE1 PHE A 61 -17.368 14.328 -25.063 1.00 52.10 H new ATOM 0 HE2 PHE A 61 -14.605 11.097 -25.379 1.00 70.12 H new ATOM 0 HZ PHE A 61 -16.826 12.056 -25.841 1.00 35.31 H new ATOM 944 N ASP A 62 -15.027 13.363 -20.771 1.00 22.32 N ATOM 945 CA ASP A 62 -16.358 13.224 -20.191 1.00 61.13 C ATOM 946 C ASP A 62 -16.325 13.480 -18.688 1.00 34.12 C ATOM 947 O ASP A 62 -17.364 13.691 -18.060 1.00 24.42 O ATOM 948 CB ASP A 62 -16.916 11.828 -20.472 1.00 34.14 C ATOM 949 CG ASP A 62 -16.840 11.458 -21.940 1.00 21.22 C ATOM 950 OD1 ASP A 62 -15.995 10.609 -22.295 1.00 10.21 O ATOM 951 OD2 ASP A 62 -17.626 12.016 -22.734 1.00 5.14 O ATOM 0 H ASP A 62 -14.546 12.479 -20.940 1.00 22.32 H new ATOM 0 HA ASP A 62 -17.009 13.966 -20.653 1.00 61.13 H new ATOM 0 HB2 ASP A 62 -16.362 11.094 -19.886 1.00 34.14 H new ATOM 0 HB3 ASP A 62 -17.954 11.782 -20.142 1.00 34.14 H new ATOM 956 N THR A 63 -15.126 13.459 -18.115 1.00 1.33 N ATOM 957 CA THR A 63 -14.958 13.687 -16.685 1.00 61.40 C ATOM 958 C THR A 63 -14.273 15.022 -16.417 1.00 65.34 C ATOM 959 O THR A 63 -14.423 15.602 -15.342 1.00 64.54 O ATOM 960 CB THR A 63 -14.136 12.560 -16.030 1.00 14.32 C ATOM 961 OG1 THR A 63 -14.569 11.288 -16.524 1.00 22.34 O ATOM 962 CG2 THR A 63 -14.279 12.597 -14.516 1.00 3.43 C ATOM 0 H THR A 63 -14.256 13.286 -18.619 1.00 1.33 H new ATOM 0 HA THR A 63 -15.956 13.701 -16.248 1.00 61.40 H new ATOM 0 HB THR A 63 -13.087 12.710 -16.284 1.00 14.32 H new ATOM 0 HG1 THR A 63 -14.890 10.739 -15.778 1.00 22.34 H new ATOM 0 HG21 THR A 63 -13.690 11.793 -14.075 1.00 3.43 H new ATOM 0 HG22 THR A 63 -13.922 13.556 -14.140 1.00 3.43 H new ATOM 0 HG23 THR A 63 -15.327 12.469 -14.246 1.00 3.43 H new ATOM 970 N GLN A 64 -13.521 15.504 -17.402 1.00 70.41 N ATOM 971 CA GLN A 64 -12.813 16.771 -17.271 1.00 43.44 C ATOM 972 C GLN A 64 -13.403 17.824 -18.204 1.00 72.41 C ATOM 973 O GLN A 64 -12.744 18.806 -18.547 1.00 31.54 O ATOM 974 CB GLN A 64 -11.325 16.582 -17.573 1.00 51.24 C ATOM 975 CG GLN A 64 -10.426 16.806 -16.368 1.00 53.01 C ATOM 976 CD GLN A 64 -8.955 16.817 -16.732 1.00 4.14 C ATOM 977 OE1 GLN A 64 -8.584 17.151 -17.857 1.00 62.14 O ATOM 978 NE2 GLN A 64 -8.106 16.451 -15.778 1.00 11.31 N ATOM 0 H GLN A 64 -13.387 15.036 -18.298 1.00 70.41 H new ATOM 0 HA GLN A 64 -12.927 17.117 -16.244 1.00 43.44 H new ATOM 0 HB2 GLN A 64 -11.165 15.573 -17.952 1.00 51.24 H new ATOM 0 HB3 GLN A 64 -11.034 17.270 -18.366 1.00 51.24 H new ATOM 0 HG2 GLN A 64 -10.687 17.753 -15.896 1.00 53.01 H new ATOM 0 HG3 GLN A 64 -10.609 16.023 -15.633 1.00 53.01 H new ATOM 0 HE21 GLN A 64 -8.457 16.182 -14.859 1.00 11.31 H new ATOM 0 HE22 GLN A 64 -7.103 16.439 -15.965 1.00 11.31 H new ATOM 987 N LYS A 65 -14.650 17.612 -18.613 1.00 3.23 N ATOM 988 CA LYS A 65 -15.331 18.542 -19.505 1.00 41.25 C ATOM 989 C LYS A 65 -15.366 19.945 -18.907 1.00 22.44 C ATOM 990 O LYS A 65 -15.542 20.931 -19.621 1.00 75.44 O ATOM 991 CB LYS A 65 -16.756 18.060 -19.786 1.00 51.42 C ATOM 992 CG LYS A 65 -17.711 18.276 -18.625 1.00 22.33 C ATOM 993 CD LYS A 65 -18.616 19.473 -18.861 1.00 71.15 C ATOM 994 CE LYS A 65 -19.725 19.146 -19.850 1.00 43.54 C ATOM 995 NZ LYS A 65 -20.811 20.165 -19.822 1.00 63.03 N ATOM 0 H LYS A 65 -15.209 16.804 -18.340 1.00 3.23 H new ATOM 0 HA LYS A 65 -14.775 18.580 -20.442 1.00 41.25 H new ATOM 0 HB2 LYS A 65 -17.140 18.580 -20.663 1.00 51.42 H new ATOM 0 HB3 LYS A 65 -16.730 16.998 -20.031 1.00 51.42 H new ATOM 0 HG2 LYS A 65 -18.319 17.382 -18.482 1.00 22.33 H new ATOM 0 HG3 LYS A 65 -17.142 18.425 -17.708 1.00 22.33 H new ATOM 0 HD2 LYS A 65 -19.053 19.792 -17.915 1.00 71.15 H new ATOM 0 HD3 LYS A 65 -18.026 20.308 -19.238 1.00 71.15 H new ATOM 0 HE2 LYS A 65 -19.309 19.086 -20.856 1.00 43.54 H new ATOM 0 HE3 LYS A 65 -20.141 18.165 -19.618 1.00 43.54 H new ATOM 0 HZ1 LYS A 65 -21.547 19.907 -20.509 1.00 63.03 H new ATOM 0 HZ2 LYS A 65 -21.226 20.204 -18.869 1.00 63.03 H new ATOM 0 HZ3 LYS A 65 -20.419 21.097 -20.068 1.00 63.03 H new ATOM 1009 N ALA A 66 -15.195 20.026 -17.591 1.00 62.22 N ATOM 1010 CA ALA A 66 -15.203 21.308 -16.897 1.00 72.34 C ATOM 1011 C ALA A 66 -13.864 22.021 -17.047 1.00 0.54 C ATOM 1012 O ALA A 66 -13.736 23.198 -16.708 1.00 62.42 O ATOM 1013 CB ALA A 66 -15.537 21.109 -15.426 1.00 42.42 C ATOM 0 H ALA A 66 -15.049 19.219 -16.985 1.00 62.22 H new ATOM 0 HA ALA A 66 -15.971 21.935 -17.350 1.00 72.34 H new ATOM 0 HB1 ALA A 66 -15.540 22.074 -14.920 1.00 42.42 H new ATOM 0 HB2 ALA A 66 -16.521 20.649 -15.335 1.00 42.42 H new ATOM 0 HB3 ALA A 66 -14.790 20.461 -14.968 1.00 42.42 H new ATOM 1019 N ALA A 67 -12.869 21.302 -17.555 1.00 3.04 N ATOM 1020 CA ALA A 67 -11.539 21.868 -17.750 1.00 34.55 C ATOM 1021 C ALA A 67 -11.446 22.604 -19.082 1.00 20.33 C ATOM 1022 O ALA A 67 -10.913 23.712 -19.154 1.00 55.12 O ATOM 1023 CB ALA A 67 -10.484 20.774 -17.673 1.00 73.15 C ATOM 0 H ALA A 67 -12.958 20.326 -17.839 1.00 3.04 H new ATOM 0 HA ALA A 67 -11.357 22.589 -16.953 1.00 34.55 H new ATOM 0 HB1 ALA A 67 -9.496 21.210 -17.820 1.00 73.15 H new ATOM 0 HB2 ALA A 67 -10.527 20.295 -16.695 1.00 73.15 H new ATOM 0 HB3 ALA A 67 -10.672 20.032 -18.449 1.00 73.15 H new ATOM 1029 N LEU A 68 -11.966 21.981 -20.134 1.00 3.31 N ATOM 1030 CA LEU A 68 -11.940 22.577 -21.465 1.00 53.50 C ATOM 1031 C LEU A 68 -13.069 23.590 -21.630 1.00 33.21 C ATOM 1032 O LEU A 68 -12.921 24.589 -22.333 1.00 74.21 O ATOM 1033 CB LEU A 68 -12.055 21.490 -22.535 1.00 2.03 C ATOM 1034 CG LEU A 68 -11.494 20.118 -22.159 1.00 74.34 C ATOM 1035 CD1 LEU A 68 -12.590 19.233 -21.586 1.00 21.54 C ATOM 1036 CD2 LEU A 68 -10.850 19.456 -23.369 1.00 30.23 C ATOM 0 H LEU A 68 -12.410 21.064 -20.091 1.00 3.31 H new ATOM 0 HA LEU A 68 -10.989 23.097 -21.585 1.00 53.50 H new ATOM 0 HB2 LEU A 68 -13.107 21.372 -22.793 1.00 2.03 H new ATOM 0 HB3 LEU A 68 -11.543 21.836 -23.433 1.00 2.03 H new ATOM 0 HG LEU A 68 -10.729 20.256 -21.395 1.00 74.34 H new ATOM 0 HD11 LEU A 68 -12.173 18.261 -21.324 1.00 21.54 H new ATOM 0 HD12 LEU A 68 -13.007 19.701 -20.694 1.00 21.54 H new ATOM 0 HD13 LEU A 68 -13.377 19.102 -22.328 1.00 21.54 H new ATOM 0 HD21 LEU A 68 -10.456 18.481 -23.083 1.00 30.23 H new ATOM 0 HD22 LEU A 68 -11.595 19.331 -24.155 1.00 30.23 H new ATOM 0 HD23 LEU A 68 -10.037 20.082 -23.737 1.00 30.23 H new ATOM 1048 N GLN A 69 -14.195 23.325 -20.975 1.00 72.43 N ATOM 1049 CA GLN A 69 -15.349 24.214 -21.049 1.00 25.33 C ATOM 1050 C GLN A 69 -15.116 25.476 -20.225 1.00 42.24 C ATOM 1051 O GLN A 69 -15.711 26.520 -20.492 1.00 22.01 O ATOM 1052 CB GLN A 69 -16.606 23.494 -20.557 1.00 2.41 C ATOM 1053 CG GLN A 69 -17.852 24.364 -20.579 1.00 53.21 C ATOM 1054 CD GLN A 69 -19.123 23.569 -20.350 1.00 3.54 C ATOM 1055 OE1 GLN A 69 -19.489 23.278 -19.211 1.00 12.13 O ATOM 1056 NE2 GLN A 69 -19.803 23.214 -21.433 1.00 42.03 N ATOM 0 H GLN A 69 -14.333 22.503 -20.388 1.00 72.43 H new ATOM 0 HA GLN A 69 -15.489 24.502 -22.091 1.00 25.33 H new ATOM 0 HB2 GLN A 69 -16.777 22.614 -21.177 1.00 2.41 H new ATOM 0 HB3 GLN A 69 -16.438 23.140 -19.540 1.00 2.41 H new ATOM 0 HG2 GLN A 69 -17.766 25.134 -19.812 1.00 53.21 H new ATOM 0 HG3 GLN A 69 -17.916 24.876 -21.539 1.00 53.21 H new ATOM 0 HE21 GLN A 69 -19.463 23.477 -22.358 1.00 42.03 H new ATOM 0 HE22 GLN A 69 -20.666 22.678 -21.340 1.00 42.03 H new ATOM 1065 N GLN A 70 -14.247 25.372 -19.225 1.00 13.43 N ATOM 1066 CA GLN A 70 -13.937 26.506 -18.362 1.00 54.40 C ATOM 1067 C GLN A 70 -12.731 27.277 -18.888 1.00 51.12 C ATOM 1068 O GLN A 70 -12.696 28.507 -18.837 1.00 34.31 O ATOM 1069 CB GLN A 70 -13.669 26.029 -16.934 1.00 13.44 C ATOM 1070 CG GLN A 70 -13.381 27.160 -15.959 1.00 22.42 C ATOM 1071 CD GLN A 70 -14.153 27.023 -14.661 1.00 61.44 C ATOM 1072 OE1 GLN A 70 -15.369 26.831 -14.667 1.00 13.43 O ATOM 1073 NE2 GLN A 70 -13.449 27.120 -13.540 1.00 24.11 N ATOM 0 H GLN A 70 -13.745 24.515 -18.992 1.00 13.43 H new ATOM 0 HA GLN A 70 -14.799 27.174 -18.359 1.00 54.40 H new ATOM 0 HB2 GLN A 70 -14.532 25.466 -16.580 1.00 13.44 H new ATOM 0 HB3 GLN A 70 -12.822 25.343 -16.942 1.00 13.44 H new ATOM 0 HG2 GLN A 70 -12.313 27.184 -15.741 1.00 22.42 H new ATOM 0 HG3 GLN A 70 -13.632 28.111 -16.428 1.00 22.42 H new ATOM 0 HE21 GLN A 70 -12.442 27.280 -13.582 1.00 24.11 H new ATOM 0 HE22 GLN A 70 -13.915 27.035 -12.636 1.00 24.11 H new ATOM 1082 N PHE A 71 -11.743 26.546 -19.394 1.00 0.32 N ATOM 1083 CA PHE A 71 -10.534 27.161 -19.928 1.00 44.24 C ATOM 1084 C PHE A 71 -10.677 27.433 -21.423 1.00 1.40 C ATOM 1085 O PHE A 71 -9.790 28.018 -22.046 1.00 73.31 O ATOM 1086 CB PHE A 71 -9.323 26.260 -19.676 1.00 73.44 C ATOM 1087 CG PHE A 71 -8.987 26.101 -18.221 1.00 61.43 C ATOM 1088 CD1 PHE A 71 -8.975 27.198 -17.375 1.00 75.23 C ATOM 1089 CD2 PHE A 71 -8.681 24.854 -17.699 1.00 75.25 C ATOM 1090 CE1 PHE A 71 -8.667 27.055 -16.036 1.00 23.14 C ATOM 1091 CE2 PHE A 71 -8.372 24.705 -16.361 1.00 33.23 C ATOM 1092 CZ PHE A 71 -8.364 25.807 -15.528 1.00 63.20 C ATOM 0 H PHE A 71 -11.756 25.527 -19.445 1.00 0.32 H new ATOM 0 HA PHE A 71 -10.384 28.111 -19.416 1.00 44.24 H new ATOM 0 HB2 PHE A 71 -9.516 25.277 -20.106 1.00 73.44 H new ATOM 0 HB3 PHE A 71 -8.459 26.672 -20.197 1.00 73.44 H new ATOM 0 HD1 PHE A 71 -9.209 28.177 -17.767 1.00 75.23 H new ATOM 0 HD2 PHE A 71 -8.684 23.989 -18.346 1.00 75.25 H new ATOM 0 HE1 PHE A 71 -8.663 27.918 -15.387 1.00 23.14 H new ATOM 0 HE2 PHE A 71 -8.137 23.728 -15.966 1.00 33.23 H new ATOM 0 HZ PHE A 71 -8.121 25.693 -14.482 1.00 63.20 H new ATOM 1102 N ARG A 72 -11.799 27.005 -21.991 1.00 71.14 N ATOM 1103 CA ARG A 72 -12.059 27.200 -23.413 1.00 5.23 C ATOM 1104 C ARG A 72 -11.036 26.449 -24.260 1.00 42.22 C ATOM 1105 O ARG A 72 -10.428 27.018 -25.167 1.00 61.12 O ATOM 1106 CB ARG A 72 -12.028 28.690 -23.758 1.00 42.14 C ATOM 1107 CG ARG A 72 -12.705 29.023 -25.078 1.00 3.20 C ATOM 1108 CD ARG A 72 -11.705 29.533 -26.104 1.00 2.32 C ATOM 1109 NE ARG A 72 -12.285 30.552 -26.974 1.00 54.15 N ATOM 1110 CZ ARG A 72 -11.680 31.023 -28.059 1.00 55.32 C ATOM 1111 NH1 ARG A 72 -10.484 30.569 -28.405 1.00 4.42 N ATOM 1112 NH2 ARG A 72 -12.273 31.950 -28.801 1.00 52.11 N ATOM 0 H ARG A 72 -12.543 26.521 -21.489 1.00 71.14 H new ATOM 0 HA ARG A 72 -13.050 26.803 -23.634 1.00 5.23 H new ATOM 0 HB2 ARG A 72 -12.514 29.250 -22.959 1.00 42.14 H new ATOM 0 HB3 ARG A 72 -10.991 29.024 -23.797 1.00 42.14 H new ATOM 0 HG2 ARG A 72 -13.205 28.135 -25.466 1.00 3.20 H new ATOM 0 HG3 ARG A 72 -13.475 29.776 -24.913 1.00 3.20 H new ATOM 0 HD2 ARG A 72 -10.837 29.946 -25.590 1.00 2.32 H new ATOM 0 HD3 ARG A 72 -11.350 28.699 -26.709 1.00 2.32 H new ATOM 0 HE ARG A 72 -13.205 30.923 -26.736 1.00 54.15 H new ATOM 0 HH11 ARG A 72 -10.025 29.856 -27.838 1.00 4.42 H new ATOM 0 HH12 ARG A 72 -10.022 30.933 -29.239 1.00 4.42 H new ATOM 0 HH21 ARG A 72 -13.194 32.301 -28.538 1.00 52.11 H new ATOM 0 HH22 ARG A 72 -11.808 32.311 -29.634 1.00 52.11 H new ATOM 1126 N VAL A 73 -10.851 25.168 -23.958 1.00 4.11 N ATOM 1127 CA VAL A 73 -9.902 24.339 -24.692 1.00 33.33 C ATOM 1128 C VAL A 73 -10.598 23.141 -25.329 1.00 41.22 C ATOM 1129 O VAL A 73 -11.826 23.068 -25.361 1.00 13.25 O ATOM 1130 CB VAL A 73 -8.772 23.834 -23.775 1.00 62.05 C ATOM 1131 CG1 VAL A 73 -7.433 23.899 -24.494 1.00 4.21 C ATOM 1132 CG2 VAL A 73 -8.733 24.638 -22.485 1.00 15.32 C ATOM 0 H VAL A 73 -11.346 24.682 -23.210 1.00 4.11 H new ATOM 0 HA VAL A 73 -9.473 24.965 -25.474 1.00 33.33 H new ATOM 0 HB VAL A 73 -8.971 22.793 -23.521 1.00 62.05 H new ATOM 0 HG11 VAL A 73 -6.646 23.539 -23.831 1.00 4.21 H new ATOM 0 HG12 VAL A 73 -7.469 23.275 -25.387 1.00 4.21 H new ATOM 0 HG13 VAL A 73 -7.223 24.930 -24.779 1.00 4.21 H new ATOM 0 HG21 VAL A 73 -7.929 24.267 -21.849 1.00 15.32 H new ATOM 0 HG22 VAL A 73 -8.558 25.689 -22.716 1.00 15.32 H new ATOM 0 HG23 VAL A 73 -9.684 24.535 -21.963 1.00 15.32 H new ATOM 1142 N SER A 74 -9.804 22.204 -25.836 1.00 61.52 N ATOM 1143 CA SER A 74 -10.343 21.010 -26.476 1.00 73.55 C ATOM 1144 C SER A 74 -9.221 20.071 -26.909 1.00 41.23 C ATOM 1145 O SER A 74 -9.070 19.773 -28.094 1.00 32.54 O ATOM 1146 CB SER A 74 -11.196 21.395 -27.687 1.00 12.14 C ATOM 1147 OG SER A 74 -11.613 20.246 -28.404 1.00 2.12 O ATOM 0 H SER A 74 -8.785 22.248 -25.816 1.00 61.52 H new ATOM 0 HA SER A 74 -10.968 20.490 -25.750 1.00 73.55 H new ATOM 0 HB2 SER A 74 -12.069 21.958 -27.356 1.00 12.14 H new ATOM 0 HB3 SER A 74 -10.625 22.050 -28.345 1.00 12.14 H new ATOM 0 HG SER A 74 -10.827 19.737 -28.692 1.00 2.12 H new ATOM 1153 N GLN A 75 -8.437 19.611 -25.940 1.00 65.53 N ATOM 1154 CA GLN A 75 -7.327 18.707 -26.221 1.00 32.32 C ATOM 1155 C GLN A 75 -7.066 17.782 -25.036 1.00 45.15 C ATOM 1156 O GLN A 75 -6.912 18.238 -23.904 1.00 11.22 O ATOM 1157 CB GLN A 75 -6.063 19.503 -26.550 1.00 55.31 C ATOM 1158 CG GLN A 75 -5.734 19.536 -28.034 1.00 13.02 C ATOM 1159 CD GLN A 75 -5.724 20.943 -28.598 1.00 65.13 C ATOM 1160 OE1 GLN A 75 -6.549 21.292 -29.443 1.00 31.14 O ATOM 1161 NE2 GLN A 75 -4.786 21.760 -28.134 1.00 4.32 N ATOM 0 H GLN A 75 -8.549 19.849 -24.954 1.00 65.53 H new ATOM 0 HA GLN A 75 -7.597 18.097 -27.083 1.00 32.32 H new ATOM 0 HB2 GLN A 75 -6.183 20.525 -26.190 1.00 55.31 H new ATOM 0 HB3 GLN A 75 -5.221 19.072 -26.009 1.00 55.31 H new ATOM 0 HG2 GLN A 75 -4.759 19.077 -28.196 1.00 13.02 H new ATOM 0 HG3 GLN A 75 -6.464 18.936 -28.578 1.00 13.02 H new ATOM 0 HE21 GLN A 75 -4.122 21.429 -27.434 1.00 4.32 H new ATOM 0 HE22 GLN A 75 -4.729 22.719 -28.478 1.00 4.32 H new ATOM 1170 N GLN A 76 -7.016 16.482 -25.307 1.00 35.31 N ATOM 1171 CA GLN A 76 -6.774 15.493 -24.262 1.00 55.45 C ATOM 1172 C GLN A 76 -5.432 14.800 -24.469 1.00 42.35 C ATOM 1173 O GLN A 76 -5.375 13.659 -24.927 1.00 33.24 O ATOM 1174 CB GLN A 76 -7.899 14.457 -24.242 1.00 30.35 C ATOM 1175 CG GLN A 76 -9.238 15.020 -23.793 1.00 3.30 C ATOM 1176 CD GLN A 76 -9.957 15.767 -24.899 1.00 62.22 C ATOM 1177 OE1 GLN A 76 -9.696 16.946 -25.139 1.00 53.13 O ATOM 1178 NE2 GLN A 76 -10.868 15.082 -25.580 1.00 51.15 N ATOM 0 H GLN A 76 -7.140 16.089 -26.240 1.00 35.31 H new ATOM 0 HA GLN A 76 -6.750 16.012 -23.304 1.00 55.45 H new ATOM 0 HB2 GLN A 76 -8.009 14.033 -25.240 1.00 30.35 H new ATOM 0 HB3 GLN A 76 -7.617 13.640 -23.578 1.00 30.35 H new ATOM 0 HG2 GLN A 76 -9.870 14.206 -23.439 1.00 3.30 H new ATOM 0 HG3 GLN A 76 -9.081 15.691 -22.949 1.00 3.30 H new ATOM 0 HE21 GLN A 76 -11.052 14.106 -25.347 1.00 51.15 H new ATOM 0 HE22 GLN A 76 -11.384 15.532 -26.336 1.00 51.15 H new ATOM 1187 N SER A 77 -4.353 15.498 -24.130 1.00 44.34 N ATOM 1188 CA SER A 77 -3.009 14.952 -24.283 1.00 74.51 C ATOM 1189 C SER A 77 -2.092 15.446 -23.169 1.00 22.41 C ATOM 1190 O SER A 77 -0.869 15.325 -23.255 1.00 33.31 O ATOM 1191 CB SER A 77 -2.430 15.338 -25.645 1.00 53.23 C ATOM 1192 OG SER A 77 -2.142 14.188 -26.422 1.00 4.42 O ATOM 0 H SER A 77 -4.383 16.443 -23.747 1.00 44.34 H new ATOM 0 HA SER A 77 -3.076 13.866 -24.220 1.00 74.51 H new ATOM 0 HB2 SER A 77 -3.138 15.973 -26.178 1.00 53.23 H new ATOM 0 HB3 SER A 77 -1.521 15.923 -25.505 1.00 53.23 H new ATOM 0 HG SER A 77 -1.921 13.440 -25.829 1.00 4.42 H new ATOM 1198 N THR A 78 -2.691 16.004 -22.121 1.00 63.23 N ATOM 1199 CA THR A 78 -1.929 16.518 -20.990 1.00 34.21 C ATOM 1200 C THR A 78 -1.260 15.387 -20.218 1.00 63.53 C ATOM 1201 O THR A 78 -1.810 14.291 -20.101 1.00 21.33 O ATOM 1202 CB THR A 78 -2.826 17.320 -20.028 1.00 4.13 C ATOM 1203 OG1 THR A 78 -3.442 16.439 -19.083 1.00 33.52 O ATOM 1204 CG2 THR A 78 -3.897 18.081 -20.794 1.00 34.41 C ATOM 0 H THR A 78 -3.701 16.111 -22.032 1.00 63.23 H new ATOM 0 HA THR A 78 -1.163 17.178 -21.398 1.00 34.21 H new ATOM 0 HB THR A 78 -2.201 18.039 -19.499 1.00 4.13 H new ATOM 0 HG1 THR A 78 -4.009 16.957 -18.474 1.00 33.52 H new ATOM 0 HG21 THR A 78 -4.518 18.640 -20.093 1.00 34.41 H new ATOM 0 HG22 THR A 78 -3.424 18.773 -21.491 1.00 34.41 H new ATOM 0 HG23 THR A 78 -4.518 17.377 -21.347 1.00 34.41 H new ATOM 1212 N LEU A 79 -0.070 15.658 -19.693 1.00 51.12 N ATOM 1213 CA LEU A 79 0.675 14.662 -18.931 1.00 41.20 C ATOM 1214 C LEU A 79 1.626 15.332 -17.944 1.00 62.41 C ATOM 1215 O LEU A 79 2.385 16.229 -18.310 1.00 43.43 O ATOM 1216 CB LEU A 79 1.461 13.751 -19.876 1.00 13.12 C ATOM 1217 CG LEU A 79 2.931 13.526 -19.522 1.00 62.44 C ATOM 1218 CD1 LEU A 79 3.054 12.738 -18.227 1.00 42.31 C ATOM 1219 CD2 LEU A 79 3.648 12.806 -20.656 1.00 11.41 C ATOM 0 H LEU A 79 0.400 16.559 -19.781 1.00 51.12 H new ATOM 0 HA LEU A 79 -0.040 14.061 -18.368 1.00 41.20 H new ATOM 0 HB2 LEU A 79 0.964 12.782 -19.911 1.00 13.12 H new ATOM 0 HB3 LEU A 79 1.410 14.172 -20.880 1.00 13.12 H new ATOM 0 HG LEU A 79 3.403 14.498 -19.378 1.00 62.44 H new ATOM 0 HD11 LEU A 79 4.108 12.588 -17.991 1.00 42.31 H new ATOM 0 HD12 LEU A 79 2.576 13.291 -17.418 1.00 42.31 H new ATOM 0 HD13 LEU A 79 2.566 11.770 -18.342 1.00 42.31 H new ATOM 0 HD21 LEU A 79 4.693 12.654 -20.387 1.00 11.41 H new ATOM 0 HD22 LEU A 79 3.174 11.840 -20.831 1.00 11.41 H new ATOM 0 HD23 LEU A 79 3.590 13.408 -21.563 1.00 11.41 H new ATOM 1231 N ILE A 80 1.581 14.887 -16.693 1.00 13.54 N ATOM 1232 CA ILE A 80 2.441 15.441 -15.654 1.00 54.43 C ATOM 1233 C ILE A 80 2.562 14.485 -14.473 1.00 20.11 C ATOM 1234 O ILE A 80 1.565 14.127 -13.844 1.00 52.25 O ATOM 1235 CB ILE A 80 1.913 16.798 -15.150 1.00 73.42 C ATOM 1236 CG1 ILE A 80 2.692 17.245 -13.912 1.00 21.42 C ATOM 1237 CG2 ILE A 80 0.426 16.706 -14.842 1.00 74.33 C ATOM 1238 CD1 ILE A 80 2.342 18.642 -13.449 1.00 61.42 C ATOM 0 H ILE A 80 0.958 14.145 -16.374 1.00 13.54 H new ATOM 0 HA ILE A 80 3.424 15.587 -16.102 1.00 54.43 H new ATOM 0 HB ILE A 80 2.057 17.541 -15.934 1.00 73.42 H new ATOM 0 HG12 ILE A 80 2.501 16.543 -13.100 1.00 21.42 H new ATOM 0 HG13 ILE A 80 3.759 17.200 -14.128 1.00 21.42 H new ATOM 0 HG21 ILE A 80 0.067 17.672 -14.487 1.00 74.33 H new ATOM 0 HG22 ILE A 80 -0.116 16.427 -15.746 1.00 74.33 H new ATOM 0 HG23 ILE A 80 0.260 15.952 -14.072 1.00 74.33 H new ATOM 0 HD11 ILE A 80 2.932 18.892 -12.567 1.00 61.42 H new ATOM 0 HD12 ILE A 80 2.559 19.354 -14.245 1.00 61.42 H new ATOM 0 HD13 ILE A 80 1.282 18.688 -13.200 1.00 61.42 H new ATOM 1250 N LEU A 81 3.790 14.075 -14.174 1.00 51.33 N ATOM 1251 CA LEU A 81 4.043 13.161 -13.066 1.00 42.01 C ATOM 1252 C LEU A 81 4.458 13.926 -11.813 1.00 64.23 C ATOM 1253 O LEU A 81 5.416 14.700 -11.835 1.00 33.21 O ATOM 1254 CB LEU A 81 5.131 12.155 -13.447 1.00 53.12 C ATOM 1255 CG LEU A 81 5.884 11.509 -12.284 1.00 64.34 C ATOM 1256 CD1 LEU A 81 4.910 10.876 -11.303 1.00 2.23 C ATOM 1257 CD2 LEU A 81 6.873 10.473 -12.800 1.00 21.13 C ATOM 0 H LEU A 81 4.626 14.361 -14.684 1.00 51.33 H new ATOM 0 HA LEU A 81 3.119 12.624 -12.852 1.00 42.01 H new ATOM 0 HB2 LEU A 81 4.674 11.364 -14.042 1.00 53.12 H new ATOM 0 HB3 LEU A 81 5.855 12.658 -14.088 1.00 53.12 H new ATOM 0 HG LEU A 81 6.441 12.286 -11.760 1.00 64.34 H new ATOM 0 HD11 LEU A 81 5.464 10.421 -10.482 1.00 2.23 H new ATOM 0 HD12 LEU A 81 4.241 11.641 -10.909 1.00 2.23 H new ATOM 0 HD13 LEU A 81 4.325 10.111 -11.814 1.00 2.23 H new ATOM 0 HD21 LEU A 81 7.400 10.023 -11.959 1.00 21.13 H new ATOM 0 HD22 LEU A 81 6.336 9.699 -13.348 1.00 21.13 H new ATOM 0 HD23 LEU A 81 7.592 10.955 -13.463 1.00 21.13 H new ATOM 1269 N TYR A 82 3.734 13.702 -10.723 1.00 13.22 N ATOM 1270 CA TYR A 82 4.026 14.370 -9.460 1.00 44.33 C ATOM 1271 C TYR A 82 4.674 13.406 -8.471 1.00 44.22 C ATOM 1272 O TYR A 82 4.145 12.328 -8.201 1.00 2.12 O ATOM 1273 CB TYR A 82 2.746 14.952 -8.858 1.00 43.23 C ATOM 1274 CG TYR A 82 1.659 15.206 -9.878 1.00 33.35 C ATOM 1275 CD1 TYR A 82 0.772 14.199 -10.241 1.00 10.41 C ATOM 1276 CD2 TYR A 82 1.518 16.451 -10.478 1.00 21.32 C ATOM 1277 CE1 TYR A 82 -0.223 14.426 -11.172 1.00 40.02 C ATOM 1278 CE2 TYR A 82 0.525 16.687 -11.409 1.00 23.21 C ATOM 1279 CZ TYR A 82 -0.343 15.671 -11.753 1.00 5.41 C ATOM 1280 OH TYR A 82 -1.332 15.902 -12.681 1.00 41.21 O ATOM 0 H TYR A 82 2.940 13.063 -10.688 1.00 13.22 H new ATOM 0 HA TYR A 82 4.726 15.181 -9.661 1.00 44.33 H new ATOM 0 HB2 TYR A 82 2.368 14.268 -8.099 1.00 43.23 H new ATOM 0 HB3 TYR A 82 2.985 15.888 -8.353 1.00 43.23 H new ATOM 0 HD1 TYR A 82 0.862 13.223 -9.788 1.00 10.41 H new ATOM 0 HD2 TYR A 82 2.196 17.248 -10.212 1.00 21.32 H new ATOM 0 HE1 TYR A 82 -0.903 13.633 -11.444 1.00 40.02 H new ATOM 0 HE2 TYR A 82 0.429 17.661 -11.865 1.00 23.21 H new ATOM 0 HH TYR A 82 -2.178 16.083 -12.220 1.00 41.21 H new ATOM 1290 N ARG A 83 5.823 13.803 -7.934 1.00 44.43 N ATOM 1291 CA ARG A 83 6.545 12.976 -6.975 1.00 62.35 C ATOM 1292 C ARG A 83 6.829 13.752 -5.693 1.00 21.33 C ATOM 1293 O ARG A 83 7.415 14.833 -5.727 1.00 22.35 O ATOM 1294 CB ARG A 83 7.858 12.479 -7.585 1.00 35.23 C ATOM 1295 CG ARG A 83 8.920 13.559 -7.706 1.00 23.44 C ATOM 1296 CD ARG A 83 10.145 13.054 -8.453 1.00 54.12 C ATOM 1297 NE ARG A 83 11.266 13.984 -8.357 1.00 44.31 N ATOM 1298 CZ ARG A 83 12.520 13.657 -8.651 1.00 32.34 C ATOM 1299 NH1 ARG A 83 12.810 12.428 -9.057 1.00 12.41 N ATOM 1300 NH2 ARG A 83 13.486 14.559 -8.538 1.00 43.03 N ATOM 0 H ARG A 83 6.274 14.693 -8.147 1.00 44.43 H new ATOM 0 HA ARG A 83 5.919 12.118 -6.729 1.00 62.35 H new ATOM 0 HB2 ARG A 83 8.248 11.665 -6.974 1.00 35.23 H new ATOM 0 HB3 ARG A 83 7.656 12.067 -8.574 1.00 35.23 H new ATOM 0 HG2 ARG A 83 8.505 14.422 -8.227 1.00 23.44 H new ATOM 0 HG3 ARG A 83 9.212 13.897 -6.712 1.00 23.44 H new ATOM 0 HD2 ARG A 83 10.442 12.086 -8.050 1.00 54.12 H new ATOM 0 HD3 ARG A 83 9.892 12.899 -9.502 1.00 54.12 H new ATOM 0 HE ARG A 83 11.076 14.937 -8.047 1.00 44.31 H new ATOM 0 HH11 ARG A 83 12.070 11.732 -9.144 1.00 12.41 H new ATOM 0 HH12 ARG A 83 13.773 12.179 -9.282 1.00 12.41 H new ATOM 0 HH21 ARG A 83 13.267 15.505 -8.225 1.00 43.03 H new ATOM 0 HH22 ARG A 83 14.448 14.307 -8.764 1.00 43.03 H new ATOM 1314 N ASN A 84 6.409 13.192 -4.563 1.00 74.31 N ATOM 1315 CA ASN A 84 6.617 13.832 -3.269 1.00 74.51 C ATOM 1316 C ASN A 84 5.861 15.154 -3.189 1.00 14.35 C ATOM 1317 O ASN A 84 6.262 16.068 -2.469 1.00 42.14 O ATOM 1318 CB ASN A 84 8.109 14.069 -3.028 1.00 72.41 C ATOM 1319 CG ASN A 84 8.489 13.921 -1.567 1.00 41.24 C ATOM 1320 OD1 ASN A 84 8.536 12.812 -1.036 1.00 21.24 O ATOM 1321 ND2 ASN A 84 8.762 15.043 -0.911 1.00 65.13 N ATOM 0 H ASN A 84 5.923 12.297 -4.517 1.00 74.31 H new ATOM 0 HA ASN A 84 6.232 13.167 -2.496 1.00 74.51 H new ATOM 0 HB2 ASN A 84 8.687 13.363 -3.624 1.00 72.41 H new ATOM 0 HB3 ASN A 84 8.375 15.069 -3.370 1.00 72.41 H new ATOM 0 HD21 ASN A 84 9.024 15.007 0.074 1.00 65.13 H new ATOM 0 HD22 ASN A 84 8.710 15.941 -1.392 1.00 65.13 H new ATOM 1328 N GLY A 85 4.762 15.248 -3.932 1.00 44.52 N ATOM 1329 CA GLY A 85 3.967 16.462 -3.930 1.00 41.44 C ATOM 1330 C GLY A 85 4.587 17.563 -4.769 1.00 74.42 C ATOM 1331 O GLY A 85 4.402 18.746 -4.485 1.00 64.33 O ATOM 0 H GLY A 85 4.408 14.505 -4.535 1.00 44.52 H new ATOM 0 HA2 GLY A 85 2.969 16.240 -4.308 1.00 41.44 H new ATOM 0 HA3 GLY A 85 3.849 16.813 -2.905 1.00 41.44 H new ATOM 1335 N GLN A 86 5.324 17.172 -5.804 1.00 21.14 N ATOM 1336 CA GLN A 86 5.975 18.135 -6.684 1.00 73.23 C ATOM 1337 C GLN A 86 6.036 17.609 -8.115 1.00 1.32 C ATOM 1338 O GLN A 86 6.371 16.448 -8.345 1.00 24.01 O ATOM 1339 CB GLN A 86 7.386 18.445 -6.182 1.00 14.44 C ATOM 1340 CG GLN A 86 7.490 19.770 -5.443 1.00 23.12 C ATOM 1341 CD GLN A 86 8.882 20.027 -4.900 1.00 21.33 C ATOM 1342 OE1 GLN A 86 9.880 19.799 -5.584 1.00 50.44 O ATOM 1343 NE2 GLN A 86 8.956 20.503 -3.663 1.00 4.55 N ATOM 0 H GLN A 86 5.485 16.196 -6.053 1.00 21.14 H new ATOM 0 HA GLN A 86 5.385 19.052 -6.677 1.00 73.23 H new ATOM 0 HB2 GLN A 86 7.712 17.643 -5.520 1.00 14.44 H new ATOM 0 HB3 GLN A 86 8.070 18.457 -7.030 1.00 14.44 H new ATOM 0 HG2 GLN A 86 7.211 20.580 -6.117 1.00 23.12 H new ATOM 0 HG3 GLN A 86 6.775 19.780 -4.620 1.00 23.12 H new ATOM 0 HE21 GLN A 86 8.103 20.677 -3.132 1.00 4.55 H new ATOM 0 HE22 GLN A 86 9.866 20.694 -3.244 1.00 4.55 H new ATOM 1352 N GLU A 87 5.710 18.472 -9.072 1.00 14.43 N ATOM 1353 CA GLU A 87 5.727 18.093 -10.480 1.00 12.54 C ATOM 1354 C GLU A 87 7.133 18.216 -11.059 1.00 2.50 C ATOM 1355 O GLU A 87 7.750 19.280 -11.001 1.00 52.40 O ATOM 1356 CB GLU A 87 4.756 18.967 -11.278 1.00 25.13 C ATOM 1357 CG GLU A 87 5.035 20.455 -11.154 1.00 13.51 C ATOM 1358 CD GLU A 87 3.839 21.232 -10.637 1.00 73.55 C ATOM 1359 OE1 GLU A 87 3.377 20.932 -9.516 1.00 61.02 O ATOM 1360 OE2 GLU A 87 3.364 22.137 -11.354 1.00 2.42 O ATOM 0 H GLU A 87 5.431 19.438 -8.898 1.00 14.43 H new ATOM 0 HA GLU A 87 5.412 17.052 -10.554 1.00 12.54 H new ATOM 0 HB2 GLU A 87 4.805 18.683 -12.329 1.00 25.13 H new ATOM 0 HB3 GLU A 87 3.739 18.767 -10.941 1.00 25.13 H new ATOM 0 HG2 GLU A 87 5.880 20.608 -10.483 1.00 13.51 H new ATOM 0 HG3 GLU A 87 5.326 20.849 -12.128 1.00 13.51 H new ATOM 1367 N VAL A 88 7.635 17.119 -11.617 1.00 51.44 N ATOM 1368 CA VAL A 88 8.968 17.103 -12.208 1.00 12.20 C ATOM 1369 C VAL A 88 8.942 17.633 -13.637 1.00 60.24 C ATOM 1370 O VAL A 88 9.884 18.287 -14.085 1.00 21.11 O ATOM 1371 CB VAL A 88 9.564 15.683 -12.209 1.00 41.10 C ATOM 1372 CG1 VAL A 88 9.735 15.174 -10.786 1.00 11.53 C ATOM 1373 CG2 VAL A 88 8.689 14.739 -13.020 1.00 3.01 C ATOM 0 H VAL A 88 7.139 16.230 -11.672 1.00 51.44 H new ATOM 0 HA VAL A 88 9.594 17.751 -11.595 1.00 12.20 H new ATOM 0 HB VAL A 88 10.548 15.721 -12.676 1.00 41.10 H new ATOM 0 HG11 VAL A 88 10.157 14.169 -10.807 1.00 11.53 H new ATOM 0 HG12 VAL A 88 10.405 15.838 -10.240 1.00 11.53 H new ATOM 0 HG13 VAL A 88 8.765 15.149 -10.289 1.00 11.53 H new ATOM 0 HG21 VAL A 88 9.125 13.740 -13.010 1.00 3.01 H new ATOM 0 HG22 VAL A 88 7.691 14.704 -12.584 1.00 3.01 H new ATOM 0 HG23 VAL A 88 8.624 15.096 -14.048 1.00 3.01 H new ATOM 1383 N ARG A 89 7.857 17.346 -14.349 1.00 40.13 N ATOM 1384 CA ARG A 89 7.708 17.793 -15.729 1.00 64.10 C ATOM 1385 C ARG A 89 6.250 17.719 -16.170 1.00 54.03 C ATOM 1386 O ARG A 89 5.461 16.954 -15.615 1.00 52.01 O ATOM 1387 CB ARG A 89 8.577 16.944 -16.659 1.00 23.12 C ATOM 1388 CG ARG A 89 9.544 17.759 -17.502 1.00 52.32 C ATOM 1389 CD ARG A 89 10.867 17.973 -16.784 1.00 31.43 C ATOM 1390 NE ARG A 89 11.965 18.209 -17.717 1.00 52.22 N ATOM 1391 CZ ARG A 89 13.140 18.713 -17.357 1.00 51.22 C ATOM 1392 NH1 ARG A 89 13.368 19.032 -16.091 1.00 24.55 N ATOM 1393 NH2 ARG A 89 14.090 18.899 -18.265 1.00 14.20 N ATOM 0 H ARG A 89 7.068 16.806 -13.993 1.00 40.13 H new ATOM 0 HA ARG A 89 8.034 18.831 -15.785 1.00 64.10 H new ATOM 0 HB2 ARG A 89 9.143 16.229 -16.061 1.00 23.12 H new ATOM 0 HB3 ARG A 89 7.930 16.366 -17.320 1.00 23.12 H new ATOM 0 HG2 ARG A 89 9.721 17.249 -18.449 1.00 52.32 H new ATOM 0 HG3 ARG A 89 9.097 18.725 -17.739 1.00 52.32 H new ATOM 0 HD2 ARG A 89 10.778 18.822 -16.107 1.00 31.43 H new ATOM 0 HD3 ARG A 89 11.093 17.100 -16.172 1.00 31.43 H new ATOM 0 HE ARG A 89 11.822 17.974 -18.699 1.00 52.22 H new ATOM 0 HH11 ARG A 89 12.640 18.891 -15.390 1.00 24.55 H new ATOM 0 HH12 ARG A 89 14.271 19.419 -15.817 1.00 24.55 H new ATOM 0 HH21 ARG A 89 13.918 18.655 -19.240 1.00 14.20 H new ATOM 0 HH22 ARG A 89 14.992 19.286 -17.987 1.00 14.20 H new ATOM 1407 N ARG A 90 5.898 18.519 -17.171 1.00 44.45 N ATOM 1408 CA ARG A 90 4.534 18.546 -17.686 1.00 25.11 C ATOM 1409 C ARG A 90 4.498 19.114 -19.102 1.00 25.42 C ATOM 1410 O ARG A 90 5.295 19.984 -19.453 1.00 11.12 O ATOM 1411 CB ARG A 90 3.637 19.378 -16.768 1.00 52.14 C ATOM 1412 CG ARG A 90 3.870 20.876 -16.883 1.00 75.34 C ATOM 1413 CD ARG A 90 2.655 21.585 -17.461 1.00 41.50 C ATOM 1414 NE ARG A 90 1.509 21.532 -16.558 1.00 12.14 N ATOM 1415 CZ ARG A 90 1.420 22.246 -15.441 1.00 34.32 C ATOM 1416 NH1 ARG A 90 2.403 23.063 -15.092 1.00 44.20 N ATOM 1417 NH2 ARG A 90 0.344 22.143 -14.670 1.00 61.24 N ATOM 0 H ARG A 90 6.539 19.158 -17.642 1.00 44.45 H new ATOM 0 HA ARG A 90 4.163 17.522 -17.715 1.00 25.11 H new ATOM 0 HB2 ARG A 90 2.594 19.162 -17.000 1.00 52.14 H new ATOM 0 HB3 ARG A 90 3.804 19.071 -15.735 1.00 52.14 H new ATOM 0 HG2 ARG A 90 4.099 21.286 -15.899 1.00 75.34 H new ATOM 0 HG3 ARG A 90 4.737 21.063 -17.516 1.00 75.34 H new ATOM 0 HD2 ARG A 90 2.906 22.625 -17.667 1.00 41.50 H new ATOM 0 HD3 ARG A 90 2.387 21.127 -18.413 1.00 41.50 H new ATOM 0 HE ARG A 90 0.734 20.913 -16.798 1.00 12.14 H new ATOM 0 HH11 ARG A 90 3.231 23.145 -15.682 1.00 44.20 H new ATOM 0 HH12 ARG A 90 2.331 23.610 -14.234 1.00 44.20 H new ATOM 0 HH21 ARG A 90 -0.415 21.515 -14.935 1.00 61.24 H new ATOM 0 HH22 ARG A 90 0.277 22.691 -13.813 1.00 61.24 H new ATOM 1431 N SER A 91 3.570 18.614 -19.911 1.00 15.03 N ATOM 1432 CA SER A 91 3.432 19.068 -21.290 1.00 24.03 C ATOM 1433 C SER A 91 2.073 18.672 -21.859 1.00 44.22 C ATOM 1434 O SER A 91 1.442 17.726 -21.387 1.00 43.13 O ATOM 1435 CB SER A 91 4.551 18.483 -22.155 1.00 15.51 C ATOM 1436 OG SER A 91 5.194 19.496 -22.909 1.00 1.11 O ATOM 0 H SER A 91 2.902 17.894 -19.635 1.00 15.03 H new ATOM 0 HA SER A 91 3.506 20.155 -21.299 1.00 24.03 H new ATOM 0 HB2 SER A 91 5.280 17.979 -21.520 1.00 15.51 H new ATOM 0 HB3 SER A 91 4.140 17.730 -22.827 1.00 15.51 H new ATOM 0 HG SER A 91 5.906 19.098 -23.452 1.00 1.11 H new ATOM 1442 N ILE A 92 1.630 19.403 -22.876 1.00 53.32 N ATOM 1443 CA ILE A 92 0.347 19.129 -23.511 1.00 72.32 C ATOM 1444 C ILE A 92 0.449 19.240 -25.029 1.00 4.14 C ATOM 1445 O ILE A 92 1.130 20.121 -25.552 1.00 64.22 O ATOM 1446 CB ILE A 92 -0.747 20.090 -23.010 1.00 2.31 C ATOM 1447 CG1 ILE A 92 -2.128 19.603 -23.454 1.00 24.02 C ATOM 1448 CG2 ILE A 92 -0.487 21.500 -23.520 1.00 73.23 C ATOM 1449 CD1 ILE A 92 -2.572 20.175 -24.782 1.00 31.32 C ATOM 0 H ILE A 92 2.140 20.189 -23.278 1.00 53.32 H new ATOM 0 HA ILE A 92 0.074 18.109 -23.241 1.00 72.32 H new ATOM 0 HB ILE A 92 -0.723 20.108 -21.920 1.00 2.31 H new ATOM 0 HG12 ILE A 92 -2.116 18.515 -23.522 1.00 24.02 H new ATOM 0 HG13 ILE A 92 -2.860 19.867 -22.691 1.00 24.02 H new ATOM 0 HG21 ILE A 92 -1.269 22.168 -23.158 1.00 73.23 H new ATOM 0 HG22 ILE A 92 0.482 21.845 -23.158 1.00 73.23 H new ATOM 0 HG23 ILE A 92 -0.488 21.499 -24.610 1.00 73.23 H new ATOM 0 HD11 ILE A 92 -3.559 19.787 -25.034 1.00 31.32 H new ATOM 0 HD12 ILE A 92 -2.616 21.262 -24.713 1.00 31.32 H new ATOM 0 HD13 ILE A 92 -1.861 19.889 -25.557 1.00 31.32 H new ATOM 1461 N GLY A 93 -0.234 18.341 -25.730 1.00 71.03 N ATOM 1462 CA GLY A 93 -0.208 18.357 -27.181 1.00 71.42 C ATOM 1463 C GLY A 93 -0.239 16.963 -27.777 1.00 30.03 C ATOM 1464 O GLY A 93 -1.161 16.617 -28.515 1.00 1.43 O ATOM 0 H GLY A 93 -0.805 17.602 -25.320 1.00 71.03 H new ATOM 0 HA2 GLY A 93 -1.061 18.926 -27.550 1.00 71.42 H new ATOM 0 HA3 GLY A 93 0.690 18.874 -27.520 1.00 71.42 H new ATOM 1468 N GLU A 94 0.772 16.162 -27.457 1.00 23.34 N ATOM 1469 CA GLU A 94 0.857 14.799 -27.968 1.00 25.21 C ATOM 1470 C GLU A 94 2.180 14.150 -27.569 1.00 71.24 C ATOM 1471 O GLU A 94 2.202 13.075 -26.969 1.00 72.44 O ATOM 1472 CB GLU A 94 0.712 14.792 -29.491 1.00 71.21 C ATOM 1473 CG GLU A 94 1.452 15.927 -30.178 1.00 61.25 C ATOM 1474 CD GLU A 94 0.543 16.774 -31.047 1.00 42.35 C ATOM 1475 OE1 GLU A 94 0.744 18.006 -31.091 1.00 4.24 O ATOM 1476 OE2 GLU A 94 -0.369 16.206 -31.684 1.00 2.43 O ATOM 0 H GLU A 94 1.543 16.433 -26.847 1.00 23.34 H new ATOM 0 HA GLU A 94 0.042 14.222 -27.530 1.00 25.21 H new ATOM 0 HB2 GLU A 94 1.081 13.842 -29.878 1.00 71.21 H new ATOM 0 HB3 GLU A 94 -0.346 14.852 -29.747 1.00 71.21 H new ATOM 0 HG2 GLU A 94 1.920 16.560 -29.424 1.00 61.25 H new ATOM 0 HG3 GLU A 94 2.254 15.515 -30.791 1.00 61.25 H new ATOM 1483 N THR A 95 3.283 14.811 -27.908 1.00 74.21 N ATOM 1484 CA THR A 95 4.609 14.299 -27.588 1.00 41.11 C ATOM 1485 C THR A 95 5.635 15.425 -27.535 1.00 12.53 C ATOM 1486 O THR A 95 5.633 16.320 -28.380 1.00 40.12 O ATOM 1487 CB THR A 95 5.069 13.249 -28.617 1.00 45.31 C ATOM 1488 OG1 THR A 95 3.991 12.358 -28.923 1.00 64.14 O ATOM 1489 CG2 THR A 95 6.255 12.456 -28.088 1.00 10.42 C ATOM 0 H THR A 95 3.283 15.702 -28.404 1.00 74.21 H new ATOM 0 HA THR A 95 4.538 13.829 -26.607 1.00 41.11 H new ATOM 0 HB THR A 95 5.377 13.771 -29.523 1.00 45.31 H new ATOM 0 HG1 THR A 95 4.137 11.500 -28.472 1.00 64.14 H new ATOM 0 HG21 THR A 95 6.562 11.721 -28.832 1.00 10.42 H new ATOM 0 HG22 THR A 95 7.084 13.134 -27.884 1.00 10.42 H new ATOM 0 HG23 THR A 95 5.970 11.945 -27.169 1.00 10.42 H new ATOM 1497 N SER A 96 6.511 15.375 -26.536 1.00 54.30 N ATOM 1498 CA SER A 96 7.541 16.394 -26.371 1.00 32.02 C ATOM 1499 C SER A 96 8.586 15.949 -25.352 1.00 50.42 C ATOM 1500 O SER A 96 8.368 15.031 -24.561 1.00 40.52 O ATOM 1501 CB SER A 96 6.913 17.718 -25.930 1.00 31.42 C ATOM 1502 OG SER A 96 6.811 18.621 -27.017 1.00 34.21 O ATOM 0 H SER A 96 6.528 14.640 -25.829 1.00 54.30 H new ATOM 0 HA SER A 96 8.034 16.537 -27.333 1.00 32.02 H new ATOM 0 HB2 SER A 96 5.923 17.533 -25.512 1.00 31.42 H new ATOM 0 HB3 SER A 96 7.515 18.164 -25.138 1.00 31.42 H new ATOM 0 HG SER A 96 6.406 18.165 -27.784 1.00 34.21 H new ATOM 1508 N PRO A 97 9.750 16.616 -25.371 1.00 31.31 N ATOM 1509 CA PRO A 97 10.853 16.308 -24.456 1.00 11.14 C ATOM 1510 C PRO A 97 10.538 16.701 -23.016 1.00 45.22 C ATOM 1511 O PRO A 97 11.159 16.203 -22.077 1.00 33.20 O ATOM 1512 CB PRO A 97 12.010 17.150 -24.999 1.00 61.32 C ATOM 1513 CG PRO A 97 11.353 18.278 -25.716 1.00 45.42 C ATOM 1514 CD PRO A 97 10.079 17.721 -26.287 1.00 13.04 C ATOM 0 HA PRO A 97 11.066 15.240 -24.419 1.00 11.14 H new ATOM 0 HB2 PRO A 97 12.649 17.512 -24.193 1.00 61.32 H new ATOM 0 HB3 PRO A 97 12.642 16.569 -25.670 1.00 61.32 H new ATOM 0 HG2 PRO A 97 11.147 19.105 -25.036 1.00 45.42 H new ATOM 0 HG3 PRO A 97 11.997 18.667 -26.505 1.00 45.42 H new ATOM 0 HD2 PRO A 97 9.288 18.471 -26.313 1.00 13.04 H new ATOM 0 HD3 PRO A 97 10.217 17.368 -27.309 1.00 13.04 H new ATOM 1522 N SER A 98 9.571 17.598 -22.850 1.00 62.42 N ATOM 1523 CA SER A 98 9.177 18.060 -21.525 1.00 12.03 C ATOM 1524 C SER A 98 8.060 17.190 -20.956 1.00 21.02 C ATOM 1525 O SER A 98 7.813 17.188 -19.750 1.00 62.42 O ATOM 1526 CB SER A 98 8.721 19.519 -21.585 1.00 43.31 C ATOM 1527 OG SER A 98 8.687 20.097 -20.291 1.00 71.34 O ATOM 0 H SER A 98 9.046 18.019 -23.617 1.00 62.42 H new ATOM 0 HA SER A 98 10.044 17.984 -20.869 1.00 12.03 H new ATOM 0 HB2 SER A 98 9.397 20.088 -22.223 1.00 43.31 H new ATOM 0 HB3 SER A 98 7.731 19.576 -22.038 1.00 43.31 H new ATOM 0 HG SER A 98 8.394 21.030 -20.357 1.00 71.34 H new ATOM 1533 N ALA A 99 7.388 16.452 -21.833 1.00 62.04 N ATOM 1534 CA ALA A 99 6.299 15.576 -21.420 1.00 21.12 C ATOM 1535 C ALA A 99 6.826 14.211 -20.990 1.00 13.04 C ATOM 1536 O ALA A 99 6.348 13.629 -20.015 1.00 22.04 O ATOM 1537 CB ALA A 99 5.288 15.423 -22.546 1.00 62.45 C ATOM 0 H ALA A 99 7.579 16.443 -22.835 1.00 62.04 H new ATOM 0 HA ALA A 99 5.804 16.032 -20.563 1.00 21.12 H new ATOM 0 HB1 ALA A 99 4.480 14.766 -22.223 1.00 62.45 H new ATOM 0 HB2 ALA A 99 4.880 16.400 -22.804 1.00 62.45 H new ATOM 0 HB3 ALA A 99 5.778 14.993 -23.419 1.00 62.45 H new ATOM 1543 N LEU A 100 7.811 13.705 -21.722 1.00 63.33 N ATOM 1544 CA LEU A 100 8.403 12.407 -21.417 1.00 31.33 C ATOM 1545 C LEU A 100 9.508 12.544 -20.375 1.00 23.33 C ATOM 1546 O LEU A 100 9.881 11.571 -19.719 1.00 13.14 O ATOM 1547 CB LEU A 100 8.962 11.767 -22.689 1.00 31.23 C ATOM 1548 CG LEU A 100 9.873 10.555 -22.486 1.00 54.32 C ATOM 1549 CD1 LEU A 100 9.082 9.380 -21.932 1.00 3.23 C ATOM 1550 CD2 LEU A 100 10.552 10.174 -23.794 1.00 12.25 C ATOM 0 H LEU A 100 8.217 14.174 -22.532 1.00 63.33 H new ATOM 0 HA LEU A 100 7.622 11.766 -21.009 1.00 31.33 H new ATOM 0 HB2 LEU A 100 8.125 11.466 -23.318 1.00 31.23 H new ATOM 0 HB3 LEU A 100 9.518 12.526 -23.240 1.00 31.23 H new ATOM 0 HG LEU A 100 10.644 10.821 -21.763 1.00 54.32 H new ATOM 0 HD11 LEU A 100 9.746 8.527 -21.794 1.00 3.23 H new ATOM 0 HD12 LEU A 100 8.643 9.657 -20.974 1.00 3.23 H new ATOM 0 HD13 LEU A 100 8.289 9.113 -22.631 1.00 3.23 H new ATOM 0 HD21 LEU A 100 11.196 9.310 -23.631 1.00 12.25 H new ATOM 0 HD22 LEU A 100 9.795 9.927 -24.538 1.00 12.25 H new ATOM 0 HD23 LEU A 100 11.152 11.012 -24.150 1.00 12.25 H new ATOM 1562 N SER A 101 10.028 13.758 -20.226 1.00 55.35 N ATOM 1563 CA SER A 101 11.092 14.023 -19.265 1.00 75.30 C ATOM 1564 C SER A 101 10.663 13.621 -17.857 1.00 3.32 C ATOM 1565 O SER A 101 11.498 13.435 -16.972 1.00 3.25 O ATOM 1566 CB SER A 101 11.475 15.504 -19.291 1.00 71.41 C ATOM 1567 OG SER A 101 12.681 15.706 -20.007 1.00 22.42 O ATOM 0 H SER A 101 9.729 14.575 -20.759 1.00 55.35 H new ATOM 0 HA SER A 101 11.960 13.427 -19.546 1.00 75.30 H new ATOM 0 HB2 SER A 101 10.674 16.082 -19.751 1.00 71.41 H new ATOM 0 HB3 SER A 101 11.588 15.872 -18.271 1.00 71.41 H new ATOM 0 HG SER A 101 12.475 15.920 -20.941 1.00 22.42 H new ATOM 1573 N ASP A 102 9.356 13.490 -17.658 1.00 25.22 N ATOM 1574 CA ASP A 102 8.815 13.109 -16.358 1.00 45.50 C ATOM 1575 C ASP A 102 8.826 11.594 -16.188 1.00 34.53 C ATOM 1576 O ASP A 102 8.830 11.084 -15.067 1.00 10.32 O ATOM 1577 CB ASP A 102 7.391 13.644 -16.198 1.00 62.45 C ATOM 1578 CG ASP A 102 6.359 12.745 -16.852 1.00 4.23 C ATOM 1579 OD1 ASP A 102 5.267 12.575 -16.270 1.00 40.23 O ATOM 1580 OD2 ASP A 102 6.644 12.213 -17.945 1.00 31.23 O ATOM 0 H ASP A 102 8.652 13.642 -18.380 1.00 25.22 H new ATOM 0 HA ASP A 102 9.447 13.547 -15.586 1.00 45.50 H new ATOM 0 HB2 ASP A 102 7.161 13.745 -15.137 1.00 62.45 H new ATOM 0 HB3 ASP A 102 7.329 14.641 -16.634 1.00 62.45 H new ATOM 1585 N PHE A 103 8.828 10.877 -17.307 1.00 41.52 N ATOM 1586 CA PHE A 103 8.835 9.419 -17.282 1.00 43.41 C ATOM 1587 C PHE A 103 10.263 8.884 -17.225 1.00 71.44 C ATOM 1588 O PHE A 103 10.506 7.784 -16.726 1.00 4.32 O ATOM 1589 CB PHE A 103 8.119 8.863 -18.514 1.00 55.43 C ATOM 1590 CG PHE A 103 6.953 7.977 -18.180 1.00 53.15 C ATOM 1591 CD1 PHE A 103 5.655 8.390 -18.438 1.00 5.13 C ATOM 1592 CD2 PHE A 103 7.154 6.731 -17.609 1.00 3.11 C ATOM 1593 CE1 PHE A 103 4.580 7.577 -18.132 1.00 64.22 C ATOM 1594 CE2 PHE A 103 6.083 5.913 -17.302 1.00 3.44 C ATOM 1595 CZ PHE A 103 4.795 6.337 -17.562 1.00 52.24 C ATOM 0 H PHE A 103 8.825 11.282 -18.243 1.00 41.52 H new ATOM 0 HA PHE A 103 8.307 9.093 -16.386 1.00 43.41 H new ATOM 0 HB2 PHE A 103 7.770 9.694 -19.127 1.00 55.43 H new ATOM 0 HB3 PHE A 103 8.832 8.300 -19.116 1.00 55.43 H new ATOM 0 HD1 PHE A 103 5.482 9.359 -18.883 1.00 5.13 H new ATOM 0 HD2 PHE A 103 8.159 6.395 -17.401 1.00 3.11 H new ATOM 0 HE1 PHE A 103 3.574 7.910 -18.338 1.00 64.22 H new ATOM 0 HE2 PHE A 103 6.254 4.943 -16.859 1.00 3.44 H new ATOM 0 HZ PHE A 103 3.957 5.700 -17.320 1.00 52.24 H new ATOM 1605 N LEU A 104 11.203 9.667 -17.741 1.00 44.32 N ATOM 1606 CA LEU A 104 12.608 9.273 -17.750 1.00 72.24 C ATOM 1607 C LEU A 104 13.300 9.692 -16.458 1.00 12.45 C ATOM 1608 O LEU A 104 14.388 9.212 -16.138 1.00 72.10 O ATOM 1609 CB LEU A 104 13.324 9.894 -18.951 1.00 25.13 C ATOM 1610 CG LEU A 104 14.852 9.909 -18.886 1.00 1.20 C ATOM 1611 CD1 LEU A 104 15.400 8.491 -18.878 1.00 23.30 C ATOM 1612 CD2 LEU A 104 15.427 10.699 -20.053 1.00 24.32 C ATOM 0 H LEU A 104 11.018 10.579 -18.159 1.00 44.32 H new ATOM 0 HA LEU A 104 12.655 8.187 -17.829 1.00 72.24 H new ATOM 0 HB2 LEU A 104 13.024 9.352 -19.848 1.00 25.13 H new ATOM 0 HB3 LEU A 104 12.975 10.920 -19.066 1.00 25.13 H new ATOM 0 HG LEU A 104 15.153 10.397 -17.959 1.00 1.20 H new ATOM 0 HD11 LEU A 104 16.489 8.522 -18.832 1.00 23.30 H new ATOM 0 HD12 LEU A 104 15.015 7.957 -18.009 1.00 23.30 H new ATOM 0 HD13 LEU A 104 15.090 7.976 -19.787 1.00 23.30 H new ATOM 0 HD21 LEU A 104 16.515 10.699 -19.991 1.00 24.32 H new ATOM 0 HD22 LEU A 104 15.117 10.239 -20.991 1.00 24.32 H new ATOM 0 HD23 LEU A 104 15.061 11.725 -20.013 1.00 24.32 H new ATOM 1624 N THR A 105 12.661 10.591 -15.715 1.00 33.02 N ATOM 1625 CA THR A 105 13.214 11.075 -14.456 1.00 74.41 C ATOM 1626 C THR A 105 12.265 10.797 -13.296 1.00 32.52 C ATOM 1627 O THR A 105 12.521 11.200 -12.161 1.00 44.24 O ATOM 1628 CB THR A 105 13.506 12.586 -14.515 1.00 33.14 C ATOM 1629 OG1 THR A 105 13.779 12.980 -15.864 1.00 2.12 O ATOM 1630 CG2 THR A 105 14.688 12.943 -13.627 1.00 1.32 C ATOM 0 H THR A 105 11.760 10.999 -15.964 1.00 33.02 H new ATOM 0 HA THR A 105 14.149 10.538 -14.294 1.00 74.41 H new ATOM 0 HB THR A 105 12.626 13.119 -14.153 1.00 33.14 H new ATOM 0 HG1 THR A 105 12.942 13.008 -16.372 1.00 2.12 H new ATOM 0 HG21 THR A 105 14.876 14.015 -13.685 1.00 1.32 H new ATOM 0 HG22 THR A 105 14.464 12.669 -12.596 1.00 1.32 H new ATOM 0 HG23 THR A 105 15.572 12.401 -13.963 1.00 1.32 H new ATOM 1638 N ARG A 106 11.168 10.104 -13.587 1.00 44.20 N ATOM 1639 CA ARG A 106 10.181 9.773 -12.567 1.00 72.41 C ATOM 1640 C ARG A 106 9.952 10.953 -11.628 1.00 54.30 C ATOM 1641 O ARG A 106 9.244 10.835 -10.627 1.00 64.23 O ATOM 1642 CB ARG A 106 10.634 8.551 -11.766 1.00 61.31 C ATOM 1643 CG ARG A 106 11.722 8.858 -10.750 1.00 31.21 C ATOM 1644 CD ARG A 106 11.997 7.663 -9.850 1.00 45.15 C ATOM 1645 NE ARG A 106 10.937 7.462 -8.867 1.00 54.20 N ATOM 1646 CZ ARG A 106 10.797 8.205 -7.775 1.00 12.13 C ATOM 1647 NH1 ARG A 106 11.646 9.193 -7.528 1.00 12.12 N ATOM 1648 NH2 ARG A 106 9.806 7.961 -6.927 1.00 73.30 N ATOM 0 H ARG A 106 10.941 9.761 -14.521 1.00 44.20 H new ATOM 0 HA ARG A 106 9.241 9.542 -13.069 1.00 72.41 H new ATOM 0 HB2 ARG A 106 9.774 8.128 -11.248 1.00 61.31 H new ATOM 0 HB3 ARG A 106 10.997 7.789 -12.456 1.00 61.31 H new ATOM 0 HG2 ARG A 106 12.637 9.142 -11.270 1.00 31.21 H new ATOM 0 HG3 ARG A 106 11.423 9.712 -10.142 1.00 31.21 H new ATOM 0 HD2 ARG A 106 12.100 6.766 -10.460 1.00 45.15 H new ATOM 0 HD3 ARG A 106 12.946 7.808 -9.335 1.00 45.15 H new ATOM 0 HE ARG A 106 10.267 6.710 -9.027 1.00 54.20 H new ATOM 0 HH11 ARG A 106 12.409 9.384 -8.177 1.00 12.12 H new ATOM 0 HH12 ARG A 106 11.536 9.762 -6.689 1.00 12.12 H new ATOM 0 HH21 ARG A 106 9.151 7.202 -7.113 1.00 73.30 H new ATOM 0 HH22 ARG A 106 9.700 8.532 -6.089 1.00 73.30 H new