USER MOD reduce.3.24.130724 H: found=0, std=0, add=929, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 948 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 81 ASN : amide:sc= -5.43! K(o=-10!,f=-3.9) USER MOD Set 1.2: A 98 HIS : no HD1:sc= -4.56! K(o=-10!,f=-3.9) USER MOD Set 2.1: A 62 TYR OH : rot 180:sc= 0.499 USER MOD Set 2.2: A 66 LYS NZ :NH3+ -141:sc= 0.539 (180deg=0) USER MOD Set 3.1: A 46 LYS NZ :NH3+ 179:sc= -0.588 (180deg=-0.652) USER MOD Set 3.2: A 48 LYS NZ :NH3+ -111:sc= -9.64! (180deg=-9.48!) USER MOD Single : A 4 THR OG1 : rot -33:sc= -2.7! USER MOD Single : A 6 LYS NZ :NH3+ 138:sc= 0.189 (180deg=-0.00347) USER MOD Single : A 7 SER OG : rot -6:sc= 0.616! USER MOD Single : A 9 TYR OH : rot 83:sc= -2.97! USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot -160:sc= 1.06 USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 33 CYS SG : rot 114:sc= -1.28 USER MOD Single : A 35 LYS NZ :NH3+ -177:sc= -8.67! (180deg=-9.04!) USER MOD Single : A 38 LYS NZ :NH3+ 139:sc= -1.22! (180deg=-3.27!) USER MOD Single : A 39 SER OG : rot -79:sc= -1.44 USER MOD Single : A 49 TYR OH : rot 150:sc= -5.26! USER MOD Single : A 56 THR OG1 : rot 120:sc= -0.469 USER MOD Single : A 59 GLN : amide:sc= -0.0618 X(o=-0.062,f=-0.36) USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.0777 USER MOD Single : A 91 MET CE :methyl -163:sc= -1.37 (180deg=-2.55!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 TYR OH : rot 155:sc= -0.0443 USER MOD Single : A 96 GLN : amide:sc= -3.03! C(o=-3!,f=-3.2!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ -164:sc= -0.0693 (180deg=-0.404) USER MOD Single : A 106 TYR OH : rot -170:sc= 1.23 USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.911! USER MOD Single : A 109 TYR OH : rot 15:sc= -1.22 USER MOD Single : A 110 SER OG : rot 160:sc= -0.365 USER MOD Single : A 113 ASN : amide:sc= -2.65! C(o=-2.6!,f=-6.3!) USER MOD ----------------------------------------------------------------- ATOM 69 N THR A 4 -11.027 -4.509 5.064 1.00 53.15 N ATOM 70 CA THR A 4 -11.125 -3.751 6.299 1.00 1.20 C ATOM 71 C THR A 4 -10.348 -2.437 6.182 1.00 34.02 C ATOM 72 O THR A 4 -10.943 -1.374 6.008 1.00 52.13 O ATOM 73 CB THR A 4 -10.639 -4.644 7.443 1.00 73.15 C ATOM 74 OG1 THR A 4 -9.346 -5.070 7.024 1.00 53.12 O ATOM 75 CG2 THR A 4 -11.442 -5.942 7.552 1.00 74.44 C ATOM 0 HA THR A 4 -12.156 -3.465 6.506 1.00 1.20 H new ATOM 0 HB THR A 4 -10.702 -4.097 8.384 1.00 73.15 H new ATOM 0 HG1 THR A 4 -9.331 -5.158 6.048 1.00 53.12 H new ATOM 0 HG21 THR A 4 -11.057 -6.539 8.379 1.00 74.44 H new ATOM 0 HG22 THR A 4 -12.491 -5.707 7.732 1.00 74.44 H new ATOM 0 HG23 THR A 4 -11.350 -6.506 6.624 1.00 74.44 H new ATOM 83 N PHE A 5 -9.032 -2.556 6.281 1.00 11.00 N ATOM 84 CA PHE A 5 -8.169 -1.389 6.189 1.00 22.31 C ATOM 85 C PHE A 5 -8.383 -0.651 4.866 1.00 41.51 C ATOM 86 O PHE A 5 -8.018 0.515 4.736 1.00 44.32 O ATOM 87 CB PHE A 5 -6.726 -1.897 6.247 1.00 64.21 C ATOM 88 CG PHE A 5 -5.679 -0.838 5.896 1.00 65.11 C ATOM 89 CD1 PHE A 5 -5.312 -0.650 4.599 1.00 10.12 C ATOM 90 CD2 PHE A 5 -5.116 -0.085 6.878 1.00 75.11 C ATOM 91 CE1 PHE A 5 -4.340 0.332 4.273 1.00 0.14 C ATOM 92 CE2 PHE A 5 -4.145 0.898 6.552 1.00 33.11 C ATOM 93 CZ PHE A 5 -3.777 1.085 5.255 1.00 2.25 C ATOM 0 H PHE A 5 -8.543 -3.440 6.424 1.00 11.00 H new ATOM 0 HA PHE A 5 -8.391 -0.696 7.001 1.00 22.31 H new ATOM 0 HB2 PHE A 5 -6.524 -2.274 7.250 1.00 64.21 H new ATOM 0 HB3 PHE A 5 -6.620 -2.739 5.563 1.00 64.21 H new ATOM 0 HD1 PHE A 5 -5.760 -1.247 3.819 1.00 10.12 H new ATOM 0 HD2 PHE A 5 -5.408 -0.235 7.907 1.00 75.11 H new ATOM 0 HE1 PHE A 5 -4.048 0.481 3.244 1.00 0.14 H new ATOM 0 HE2 PHE A 5 -3.699 1.497 7.332 1.00 33.11 H new ATOM 0 HZ PHE A 5 -3.038 1.832 5.006 1.00 2.25 H new ATOM 103 N LYS A 6 -8.976 -1.363 3.919 1.00 54.43 N ATOM 104 CA LYS A 6 -9.245 -0.789 2.610 1.00 61.10 C ATOM 105 C LYS A 6 -10.718 -0.382 2.528 1.00 23.11 C ATOM 106 O LYS A 6 -11.033 0.746 2.154 1.00 53.24 O ATOM 107 CB LYS A 6 -8.810 -1.752 1.503 1.00 72.11 C ATOM 108 CG LYS A 6 -8.866 -1.074 0.134 1.00 41.42 C ATOM 109 CD LYS A 6 -10.040 -1.601 -0.694 1.00 55.05 C ATOM 110 CE LYS A 6 -9.816 -1.351 -2.185 1.00 11.24 C ATOM 111 NZ LYS A 6 -9.640 -2.633 -2.904 1.00 41.43 N ATOM 0 H LYS A 6 -9.278 -2.331 4.031 1.00 54.43 H new ATOM 0 HA LYS A 6 -8.656 0.116 2.463 1.00 61.10 H new ATOM 0 HB2 LYS A 6 -7.796 -2.102 1.698 1.00 72.11 H new ATOM 0 HB3 LYS A 6 -9.456 -2.630 1.505 1.00 72.11 H new ATOM 0 HG2 LYS A 6 -8.962 0.004 0.262 1.00 41.42 H new ATOM 0 HG3 LYS A 6 -7.932 -1.249 -0.401 1.00 41.42 H new ATOM 0 HD2 LYS A 6 -10.165 -2.669 -0.516 1.00 55.05 H new ATOM 0 HD3 LYS A 6 -10.962 -1.115 -0.375 1.00 55.05 H new ATOM 0 HE2 LYS A 6 -10.665 -0.808 -2.600 1.00 11.24 H new ATOM 0 HE3 LYS A 6 -8.936 -0.724 -2.327 1.00 11.24 H new ATOM 0 HZ1 LYS A 6 -10.164 -2.602 -3.802 1.00 41.43 H new ATOM 0 HZ2 LYS A 6 -8.630 -2.786 -3.098 1.00 41.43 H new ATOM 0 HZ3 LYS A 6 -10.002 -3.412 -2.318 1.00 41.43 H new ATOM 125 N SER A 7 -11.578 -1.323 2.885 1.00 32.24 N ATOM 126 CA SER A 7 -13.011 -1.078 2.857 1.00 10.10 C ATOM 127 C SER A 7 -13.377 -0.002 3.883 1.00 13.42 C ATOM 128 O SER A 7 -14.500 0.499 3.886 1.00 63.35 O ATOM 129 CB SER A 7 -13.795 -2.362 3.131 1.00 44.33 C ATOM 130 OG SER A 7 -15.144 -2.093 3.506 1.00 52.21 O ATOM 0 H SER A 7 -11.311 -2.257 3.195 1.00 32.24 H new ATOM 0 HA SER A 7 -13.279 -0.728 1.860 1.00 10.10 H new ATOM 0 HB2 SER A 7 -13.784 -2.990 2.240 1.00 44.33 H new ATOM 0 HB3 SER A 7 -13.303 -2.925 3.924 1.00 44.33 H new ATOM 0 HG SER A 7 -15.270 -1.126 3.601 1.00 52.21 H new ATOM 136 N GLU A 8 -12.407 0.319 4.726 1.00 33.03 N ATOM 137 CA GLU A 8 -12.614 1.326 5.755 1.00 53.01 C ATOM 138 C GLU A 8 -12.857 2.694 5.115 1.00 75.05 C ATOM 139 O GLU A 8 -13.925 3.282 5.285 1.00 11.10 O ATOM 140 CB GLU A 8 -11.429 1.374 6.721 1.00 50.33 C ATOM 141 CG GLU A 8 -11.614 2.481 7.760 1.00 33.05 C ATOM 142 CD GLU A 8 -12.449 1.989 8.943 1.00 44.11 C ATOM 143 OE1 GLU A 8 -13.433 1.262 8.748 1.00 71.32 O ATOM 144 OE2 GLU A 8 -12.042 2.388 10.102 1.00 31.12 O ATOM 0 H GLU A 8 -11.477 -0.099 4.718 1.00 33.03 H new ATOM 0 HA GLU A 8 -13.498 1.054 6.331 1.00 53.01 H new ATOM 0 HB2 GLU A 8 -11.326 0.412 7.223 1.00 50.33 H new ATOM 0 HB3 GLU A 8 -10.508 1.543 6.164 1.00 50.33 H new ATOM 0 HG2 GLU A 8 -10.640 2.819 8.114 1.00 33.05 H new ATOM 0 HG3 GLU A 8 -12.101 3.340 7.299 1.00 33.05 H new ATOM 152 N TYR A 9 -11.849 3.163 4.395 1.00 11.51 N ATOM 153 CA TYR A 9 -11.939 4.451 3.729 1.00 34.03 C ATOM 154 C TYR A 9 -11.835 4.295 2.211 1.00 13.04 C ATOM 155 O TYR A 9 -11.468 3.228 1.718 1.00 20.14 O ATOM 156 CB TYR A 9 -10.746 5.269 4.228 1.00 23.45 C ATOM 157 CG TYR A 9 -9.466 4.452 4.411 1.00 45.31 C ATOM 158 CD1 TYR A 9 -9.318 3.638 5.515 1.00 32.35 C ATOM 159 CD2 TYR A 9 -8.457 4.528 3.471 1.00 31.32 C ATOM 160 CE1 TYR A 9 -8.112 2.868 5.688 1.00 14.04 C ATOM 161 CE2 TYR A 9 -7.252 3.760 3.643 1.00 14.01 C ATOM 162 CZ TYR A 9 -7.139 2.968 4.744 1.00 24.23 C ATOM 163 OH TYR A 9 -6.001 2.242 4.906 1.00 62.13 O ATOM 0 H TYR A 9 -10.965 2.673 4.258 1.00 11.51 H new ATOM 0 HA TYR A 9 -12.895 4.928 3.947 1.00 34.03 H new ATOM 0 HB2 TYR A 9 -10.552 6.077 3.523 1.00 23.45 H new ATOM 0 HB3 TYR A 9 -11.008 5.732 5.179 1.00 23.45 H new ATOM 0 HD1 TYR A 9 -10.107 3.578 6.250 1.00 32.35 H new ATOM 0 HD2 TYR A 9 -8.572 5.164 2.606 1.00 31.32 H new ATOM 0 HE1 TYR A 9 -7.984 2.227 6.547 1.00 14.04 H new ATOM 0 HE2 TYR A 9 -6.456 3.811 2.915 1.00 14.01 H new ATOM 0 HH TYR A 9 -6.145 1.331 4.576 1.00 62.13 H new ATOM 173 N PRO A 10 -12.173 5.399 1.494 1.00 21.33 N ATOM 174 CA PRO A 10 -12.120 5.392 0.041 1.00 5.43 C ATOM 175 C PRO A 10 -10.674 5.469 -0.456 1.00 23.30 C ATOM 176 O PRO A 10 -9.739 5.462 0.342 1.00 24.20 O ATOM 177 CB PRO A 10 -12.958 6.585 -0.386 1.00 2.54 C ATOM 178 CG PRO A 10 -13.064 7.483 0.836 1.00 23.32 C ATOM 179 CD PRO A 10 -12.611 6.678 2.043 1.00 44.44 C ATOM 0 HA PRO A 10 -12.511 4.471 -0.391 1.00 5.43 H new ATOM 0 HB2 PRO A 10 -12.491 7.112 -1.218 1.00 2.54 H new ATOM 0 HB3 PRO A 10 -13.945 6.268 -0.724 1.00 2.54 H new ATOM 0 HG2 PRO A 10 -12.443 8.370 0.713 1.00 23.32 H new ATOM 0 HG3 PRO A 10 -14.089 7.828 0.969 1.00 23.32 H new ATOM 0 HD2 PRO A 10 -11.801 7.180 2.572 1.00 44.44 H new ATOM 0 HD3 PRO A 10 -13.423 6.545 2.757 1.00 44.44 H new ATOM 187 N PHE A 11 -10.538 5.539 -1.771 1.00 12.11 N ATOM 188 CA PHE A 11 -9.223 5.616 -2.384 1.00 25.15 C ATOM 189 C PHE A 11 -8.495 6.894 -1.960 1.00 3.34 C ATOM 190 O PHE A 11 -7.404 6.833 -1.395 1.00 13.02 O ATOM 191 CB PHE A 11 -9.435 5.643 -3.899 1.00 73.12 C ATOM 192 CG PHE A 11 -8.186 6.025 -4.697 1.00 53.51 C ATOM 193 CD1 PHE A 11 -7.871 7.335 -4.879 1.00 3.24 C ATOM 194 CD2 PHE A 11 -7.394 5.054 -5.222 1.00 64.31 C ATOM 195 CE1 PHE A 11 -6.713 7.690 -5.619 1.00 60.21 C ATOM 196 CE2 PHE A 11 -6.234 5.409 -5.961 1.00 0.24 C ATOM 197 CZ PHE A 11 -5.918 6.719 -6.145 1.00 72.02 C ATOM 0 H PHE A 11 -11.317 5.544 -2.430 1.00 12.11 H new ATOM 0 HA PHE A 11 -8.618 4.764 -2.074 1.00 25.15 H new ATOM 0 HB2 PHE A 11 -9.775 4.660 -4.225 1.00 73.12 H new ATOM 0 HB3 PHE A 11 -10.232 6.349 -4.131 1.00 73.12 H new ATOM 0 HD1 PHE A 11 -8.502 8.105 -4.461 1.00 3.24 H new ATOM 0 HD2 PHE A 11 -7.646 4.014 -5.078 1.00 64.31 H new ATOM 0 HE1 PHE A 11 -6.463 8.731 -5.765 1.00 60.21 H new ATOM 0 HE2 PHE A 11 -5.602 4.638 -6.377 1.00 0.24 H new ATOM 0 HZ PHE A 11 -5.037 6.988 -6.708 1.00 72.02 H new ATOM 207 N GLU A 12 -9.127 8.021 -2.250 1.00 32.21 N ATOM 208 CA GLU A 12 -8.554 9.312 -1.907 1.00 43.50 C ATOM 209 C GLU A 12 -7.906 9.252 -0.522 1.00 41.32 C ATOM 210 O GLU A 12 -6.936 9.959 -0.256 1.00 72.13 O ATOM 211 CB GLU A 12 -9.610 10.416 -1.971 1.00 61.12 C ATOM 212 CG GLU A 12 -9.550 11.153 -3.310 1.00 72.25 C ATOM 213 CD GLU A 12 -10.747 12.093 -3.473 1.00 53.25 C ATOM 214 OE1 GLU A 12 -11.136 12.774 -2.512 1.00 30.14 O ATOM 215 OE2 GLU A 12 -11.278 12.102 -4.649 1.00 20.32 O ATOM 0 H GLU A 12 -10.031 8.068 -2.719 1.00 32.21 H new ATOM 0 HA GLU A 12 -7.782 9.552 -2.639 1.00 43.50 H new ATOM 0 HB2 GLU A 12 -10.601 9.985 -1.833 1.00 61.12 H new ATOM 0 HB3 GLU A 12 -9.453 11.122 -1.156 1.00 61.12 H new ATOM 0 HG2 GLU A 12 -8.624 11.724 -3.374 1.00 72.25 H new ATOM 0 HG3 GLU A 12 -9.536 10.431 -4.126 1.00 72.25 H new ATOM 223 N LYS A 13 -8.470 8.402 0.324 1.00 5.43 N ATOM 224 CA LYS A 13 -7.960 8.241 1.674 1.00 64.41 C ATOM 225 C LYS A 13 -6.637 7.473 1.628 1.00 40.34 C ATOM 226 O LYS A 13 -5.643 7.904 2.211 1.00 3.22 O ATOM 227 CB LYS A 13 -9.015 7.593 2.573 1.00 65.01 C ATOM 228 CG LYS A 13 -9.908 8.654 3.223 1.00 14.12 C ATOM 229 CD LYS A 13 -9.078 9.638 4.048 1.00 72.31 C ATOM 230 CE LYS A 13 -8.889 10.959 3.298 1.00 2.41 C ATOM 231 NZ LYS A 13 -7.562 11.540 3.599 1.00 34.20 N ATOM 0 H LYS A 13 -9.275 7.818 0.100 1.00 5.43 H new ATOM 0 HA LYS A 13 -7.749 9.214 2.119 1.00 64.41 H new ATOM 0 HB2 LYS A 13 -9.627 6.907 1.986 1.00 65.01 H new ATOM 0 HB3 LYS A 13 -8.525 7.001 3.346 1.00 65.01 H new ATOM 0 HG2 LYS A 13 -10.458 9.194 2.452 1.00 14.12 H new ATOM 0 HG3 LYS A 13 -10.647 8.171 3.862 1.00 14.12 H new ATOM 0 HD2 LYS A 13 -9.571 9.825 5.002 1.00 72.31 H new ATOM 0 HD3 LYS A 13 -8.105 9.200 4.272 1.00 72.31 H new ATOM 0 HE2 LYS A 13 -8.985 10.792 2.225 1.00 2.41 H new ATOM 0 HE3 LYS A 13 -9.673 11.661 3.582 1.00 2.41 H new ATOM 0 HZ1 LYS A 13 -7.450 12.436 3.082 1.00 34.20 H new ATOM 0 HZ2 LYS A 13 -7.484 11.718 4.621 1.00 34.20 H new ATOM 0 HZ3 LYS A 13 -6.818 10.876 3.306 1.00 34.20 H new ATOM 245 N ARG A 14 -6.667 6.348 0.928 1.00 61.35 N ATOM 246 CA ARG A 14 -5.483 5.516 0.798 1.00 70.54 C ATOM 247 C ARG A 14 -4.326 6.328 0.212 1.00 72.40 C ATOM 248 O ARG A 14 -3.283 6.477 0.849 1.00 21.25 O ATOM 249 CB ARG A 14 -5.755 4.308 -0.101 1.00 65.45 C ATOM 250 CG ARG A 14 -6.953 3.504 0.410 1.00 13.40 C ATOM 251 CD ARG A 14 -6.495 2.222 1.108 1.00 22.22 C ATOM 252 NE ARG A 14 -6.148 1.194 0.102 1.00 41.21 N ATOM 253 CZ ARG A 14 -5.960 -0.112 0.388 1.00 43.14 C ATOM 254 NH1 ARG A 14 -6.085 -0.562 1.654 1.00 33.03 N ATOM 255 NH2 ARG A 14 -5.652 -0.944 -0.591 1.00 2.22 N ATOM 0 H ARG A 14 -7.493 5.994 0.445 1.00 61.35 H new ATOM 0 HA ARG A 14 -5.216 5.161 1.793 1.00 70.54 H new ATOM 0 HB2 ARG A 14 -5.946 4.644 -1.120 1.00 65.45 H new ATOM 0 HB3 ARG A 14 -4.872 3.670 -0.136 1.00 65.45 H new ATOM 0 HG2 ARG A 14 -7.535 4.112 1.103 1.00 13.40 H new ATOM 0 HG3 ARG A 14 -7.610 3.254 -0.423 1.00 13.40 H new ATOM 0 HD2 ARG A 14 -5.631 2.431 1.739 1.00 22.22 H new ATOM 0 HD3 ARG A 14 -7.285 1.851 1.761 1.00 22.22 H new ATOM 0 HE ARG A 14 -6.044 1.491 -0.868 1.00 41.21 H new ATOM 0 HH11 ARG A 14 -6.323 0.086 2.404 1.00 33.03 H new ATOM 0 HH12 ARG A 14 -5.941 -1.550 1.860 1.00 33.03 H new ATOM 0 HH21 ARG A 14 -5.560 -0.596 -1.546 1.00 2.22 H new ATOM 0 HH22 ARG A 14 -5.507 -1.934 -0.392 1.00 2.22 H new ATOM 269 N LYS A 15 -4.548 6.831 -0.993 1.00 2.20 N ATOM 270 CA LYS A 15 -3.536 7.624 -1.671 1.00 31.35 C ATOM 271 C LYS A 15 -2.900 8.592 -0.672 1.00 5.31 C ATOM 272 O LYS A 15 -1.684 8.778 -0.670 1.00 31.23 O ATOM 273 CB LYS A 15 -4.130 8.312 -2.902 1.00 63.02 C ATOM 274 CG LYS A 15 -4.633 9.714 -2.557 1.00 33.43 C ATOM 275 CD LYS A 15 -5.368 10.340 -3.744 1.00 1.00 C ATOM 276 CE LYS A 15 -5.691 11.812 -3.475 1.00 21.04 C ATOM 277 NZ LYS A 15 -6.058 12.500 -4.732 1.00 61.42 N ATOM 0 H LYS A 15 -5.414 6.705 -1.518 1.00 2.20 H new ATOM 0 HA LYS A 15 -2.738 6.983 -2.047 1.00 31.35 H new ATOM 0 HB2 LYS A 15 -3.376 8.375 -3.687 1.00 63.02 H new ATOM 0 HB3 LYS A 15 -4.951 7.714 -3.296 1.00 63.02 H new ATOM 0 HG2 LYS A 15 -5.301 9.663 -1.697 1.00 33.43 H new ATOM 0 HG3 LYS A 15 -3.792 10.346 -2.271 1.00 33.43 H new ATOM 0 HD2 LYS A 15 -4.755 10.257 -4.641 1.00 1.00 H new ATOM 0 HD3 LYS A 15 -6.290 9.791 -3.936 1.00 1.00 H new ATOM 0 HE2 LYS A 15 -6.511 11.886 -2.760 1.00 21.04 H new ATOM 0 HE3 LYS A 15 -4.829 12.303 -3.023 1.00 21.04 H new ATOM 0 HZ1 LYS A 15 -6.274 13.497 -4.532 1.00 61.42 H new ATOM 0 HZ2 LYS A 15 -5.264 12.445 -5.402 1.00 61.42 H new ATOM 0 HZ3 LYS A 15 -6.894 12.041 -5.147 1.00 61.42 H new ATOM 291 N ALA A 16 -3.752 9.185 0.152 1.00 43.45 N ATOM 292 CA ALA A 16 -3.288 10.132 1.154 1.00 33.41 C ATOM 293 C ALA A 16 -2.317 9.426 2.105 1.00 52.13 C ATOM 294 O ALA A 16 -1.247 9.953 2.406 1.00 11.03 O ATOM 295 CB ALA A 16 -4.490 10.729 1.887 1.00 50.03 C ATOM 0 H ALA A 16 -4.760 9.029 0.147 1.00 43.45 H new ATOM 0 HA ALA A 16 -2.750 10.956 0.684 1.00 33.41 H new ATOM 0 HB1 ALA A 16 -4.143 11.439 2.638 1.00 50.03 H new ATOM 0 HB2 ALA A 16 -5.133 11.243 1.173 1.00 50.03 H new ATOM 0 HB3 ALA A 16 -5.052 9.932 2.374 1.00 50.03 H new ATOM 301 N GLU A 17 -2.725 8.247 2.547 1.00 45.42 N ATOM 302 CA GLU A 17 -1.906 7.465 3.457 1.00 11.22 C ATOM 303 C GLU A 17 -0.578 7.097 2.792 1.00 13.51 C ATOM 304 O GLU A 17 0.464 7.080 3.445 1.00 44.12 O ATOM 305 CB GLU A 17 -2.649 6.214 3.927 1.00 32.21 C ATOM 306 CG GLU A 17 -1.750 5.336 4.801 1.00 41.44 C ATOM 307 CD GLU A 17 -1.611 5.923 6.207 1.00 1.55 C ATOM 308 OE1 GLU A 17 -2.125 7.019 6.476 1.00 64.25 O ATOM 309 OE2 GLU A 17 -0.941 5.198 7.036 1.00 63.21 O ATOM 0 H GLU A 17 -3.612 7.813 2.292 1.00 45.42 H new ATOM 0 HA GLU A 17 -1.694 8.072 4.337 1.00 11.22 H new ATOM 0 HB2 GLU A 17 -3.537 6.504 4.489 1.00 32.21 H new ATOM 0 HB3 GLU A 17 -2.991 5.644 3.063 1.00 32.21 H new ATOM 0 HG2 GLU A 17 -2.166 4.330 4.862 1.00 41.44 H new ATOM 0 HG3 GLU A 17 -0.766 5.246 4.342 1.00 41.44 H new ATOM 317 N SER A 18 -0.659 6.810 1.500 1.00 32.43 N ATOM 318 CA SER A 18 0.522 6.443 0.740 1.00 63.41 C ATOM 319 C SER A 18 1.360 7.688 0.442 1.00 73.40 C ATOM 320 O SER A 18 2.578 7.599 0.288 1.00 73.04 O ATOM 321 CB SER A 18 0.142 5.736 -0.562 1.00 72.20 C ATOM 322 OG SER A 18 0.098 6.637 -1.666 1.00 23.24 O ATOM 0 H SER A 18 -1.525 6.825 0.961 1.00 32.43 H new ATOM 0 HA SER A 18 1.112 5.750 1.339 1.00 63.41 H new ATOM 0 HB2 SER A 18 0.863 4.945 -0.768 1.00 72.20 H new ATOM 0 HB3 SER A 18 -0.831 5.259 -0.445 1.00 72.20 H new ATOM 0 HG SER A 18 -0.438 6.245 -2.387 1.00 23.24 H new ATOM 328 N GLU A 19 0.676 8.821 0.369 1.00 72.31 N ATOM 329 CA GLU A 19 1.342 10.081 0.092 1.00 1.34 C ATOM 330 C GLU A 19 2.366 10.391 1.187 1.00 3.30 C ATOM 331 O GLU A 19 3.348 11.091 0.942 1.00 22.02 O ATOM 332 CB GLU A 19 0.327 11.219 -0.048 1.00 51.31 C ATOM 333 CG GLU A 19 -0.367 11.168 -1.409 1.00 25.43 C ATOM 334 CD GLU A 19 0.337 12.080 -2.417 1.00 10.12 C ATOM 335 OE1 GLU A 19 0.641 13.239 -2.097 1.00 65.44 O ATOM 336 OE2 GLU A 19 0.567 11.545 -3.567 1.00 13.54 O ATOM 0 H GLU A 19 -0.333 8.892 0.497 1.00 72.31 H new ATOM 0 HA GLU A 19 1.870 9.990 -0.857 1.00 1.34 H new ATOM 0 HB2 GLU A 19 -0.416 11.148 0.746 1.00 51.31 H new ATOM 0 HB3 GLU A 19 0.831 12.178 0.072 1.00 51.31 H new ATOM 0 HG2 GLU A 19 -0.371 10.143 -1.781 1.00 25.43 H new ATOM 0 HG3 GLU A 19 -1.408 11.473 -1.302 1.00 25.43 H new ATOM 344 N ARG A 20 2.101 9.857 2.369 1.00 64.42 N ATOM 345 CA ARG A 20 2.988 10.068 3.501 1.00 61.32 C ATOM 346 C ARG A 20 3.927 8.872 3.670 1.00 72.54 C ATOM 347 O ARG A 20 5.124 9.045 3.890 1.00 12.42 O ATOM 348 CB ARG A 20 2.193 10.272 4.793 1.00 21.21 C ATOM 349 CG ARG A 20 0.817 10.873 4.502 1.00 4.23 C ATOM 350 CD ARG A 20 0.311 11.688 5.694 1.00 54.55 C ATOM 351 NE ARG A 20 -0.628 10.875 6.500 1.00 51.32 N ATOM 352 CZ ARG A 20 -1.203 11.299 7.644 1.00 55.13 C ATOM 353 NH1 ARG A 20 -0.941 12.532 8.130 1.00 61.44 N ATOM 354 NH2 ARG A 20 -2.028 10.490 8.285 1.00 74.03 N ATOM 0 H ARG A 20 1.285 9.278 2.568 1.00 64.42 H new ATOM 0 HA ARG A 20 3.572 10.967 3.302 1.00 61.32 H new ATOM 0 HB2 ARG A 20 2.076 9.318 5.306 1.00 21.21 H new ATOM 0 HB3 ARG A 20 2.746 10.929 5.464 1.00 21.21 H new ATOM 0 HG2 ARG A 20 0.874 11.510 3.619 1.00 4.23 H new ATOM 0 HG3 ARG A 20 0.109 10.076 4.275 1.00 4.23 H new ATOM 0 HD2 ARG A 20 1.151 12.006 6.311 1.00 54.55 H new ATOM 0 HD3 ARG A 20 -0.187 12.592 5.342 1.00 54.55 H new ATOM 0 HE ARG A 20 -0.854 9.937 6.170 1.00 51.32 H new ATOM 0 HH11 ARG A 20 -0.303 13.152 7.631 1.00 61.44 H new ATOM 0 HH12 ARG A 20 -1.381 12.843 8.996 1.00 61.44 H new ATOM 0 HH21 ARG A 20 -2.222 9.560 7.913 1.00 74.03 H new ATOM 0 HH22 ARG A 20 -2.471 10.795 9.152 1.00 74.03 H new ATOM 368 N ILE A 21 3.347 7.685 3.562 1.00 62.20 N ATOM 369 CA ILE A 21 4.118 6.462 3.701 1.00 14.54 C ATOM 370 C ILE A 21 5.289 6.487 2.716 1.00 33.24 C ATOM 371 O ILE A 21 6.317 5.857 2.954 1.00 12.23 O ATOM 372 CB ILE A 21 3.211 5.238 3.546 1.00 70.13 C ATOM 373 CG1 ILE A 21 2.541 4.882 4.874 1.00 52.51 C ATOM 374 CG2 ILE A 21 3.983 4.055 2.960 1.00 40.52 C ATOM 375 CD1 ILE A 21 1.593 3.693 4.710 1.00 64.42 C ATOM 0 H ILE A 21 2.353 7.545 3.380 1.00 62.20 H new ATOM 0 HA ILE A 21 4.544 6.392 4.702 1.00 14.54 H new ATOM 0 HB ILE A 21 2.418 5.487 2.841 1.00 70.13 H new ATOM 0 HG12 ILE A 21 3.302 4.644 5.617 1.00 52.51 H new ATOM 0 HG13 ILE A 21 1.988 5.743 5.248 1.00 52.51 H new ATOM 0 HG21 ILE A 21 3.316 3.199 2.860 1.00 40.52 H new ATOM 0 HG22 ILE A 21 4.375 4.326 1.980 1.00 40.52 H new ATOM 0 HG23 ILE A 21 4.809 3.796 3.622 1.00 40.52 H new ATOM 0 HD11 ILE A 21 1.130 3.461 5.669 1.00 64.42 H new ATOM 0 HD12 ILE A 21 0.819 3.942 3.985 1.00 64.42 H new ATOM 0 HD13 ILE A 21 2.153 2.827 4.359 1.00 64.42 H new ATOM 387 N ALA A 22 5.092 7.223 1.631 1.00 53.32 N ATOM 388 CA ALA A 22 6.120 7.339 0.610 1.00 24.25 C ATOM 389 C ALA A 22 7.117 8.425 1.016 1.00 24.12 C ATOM 390 O ALA A 22 8.263 8.418 0.572 1.00 11.34 O ATOM 391 CB ALA A 22 5.464 7.625 -0.743 1.00 5.11 C ATOM 0 H ALA A 22 4.237 7.744 1.437 1.00 53.32 H new ATOM 0 HA ALA A 22 6.673 6.405 0.514 1.00 24.25 H new ATOM 0 HB1 ALA A 22 6.234 7.712 -1.510 1.00 5.11 H new ATOM 0 HB2 ALA A 22 4.788 6.809 -0.999 1.00 5.11 H new ATOM 0 HB3 ALA A 22 4.902 8.557 -0.685 1.00 5.11 H new ATOM 397 N ASP A 23 6.642 9.334 1.855 1.00 25.10 N ATOM 398 CA ASP A 23 7.478 10.426 2.327 1.00 52.05 C ATOM 399 C ASP A 23 8.053 10.067 3.699 1.00 73.32 C ATOM 400 O ASP A 23 8.882 10.799 4.238 1.00 52.31 O ATOM 401 CB ASP A 23 6.667 11.715 2.477 1.00 42.33 C ATOM 402 CG ASP A 23 7.499 12.997 2.557 1.00 74.04 C ATOM 403 OD1 ASP A 23 7.288 13.839 3.442 1.00 25.13 O ATOM 404 OD2 ASP A 23 8.408 13.114 1.652 1.00 10.42 O ATOM 0 H ASP A 23 5.690 9.337 2.220 1.00 25.10 H new ATOM 0 HA ASP A 23 8.272 10.582 1.597 1.00 52.05 H new ATOM 0 HB2 ASP A 23 5.982 11.796 1.633 1.00 42.33 H new ATOM 0 HB3 ASP A 23 6.056 11.640 3.377 1.00 42.33 H new ATOM 410 N ARG A 24 7.589 8.943 4.223 1.00 2.03 N ATOM 411 CA ARG A 24 8.046 8.479 5.522 1.00 72.20 C ATOM 412 C ARG A 24 8.959 7.260 5.359 1.00 42.41 C ATOM 413 O ARG A 24 10.065 7.234 5.893 1.00 42.21 O ATOM 414 CB ARG A 24 6.866 8.107 6.420 1.00 3.23 C ATOM 415 CG ARG A 24 6.128 9.357 6.901 1.00 41.44 C ATOM 416 CD ARG A 24 5.381 9.085 8.210 1.00 53.35 C ATOM 417 NE ARG A 24 4.216 8.209 7.955 1.00 3.11 N ATOM 418 CZ ARG A 24 3.631 7.436 8.895 1.00 64.41 C ATOM 419 NH1 ARG A 24 4.099 7.425 10.160 1.00 24.30 N ATOM 420 NH2 ARG A 24 2.595 6.692 8.556 1.00 54.54 N ATOM 0 H ARG A 24 6.901 8.340 3.772 1.00 2.03 H new ATOM 0 HA ARG A 24 8.600 9.293 5.989 1.00 72.20 H new ATOM 0 HB2 ARG A 24 6.178 7.462 5.874 1.00 3.23 H new ATOM 0 HB3 ARG A 24 7.223 7.538 7.279 1.00 3.23 H new ATOM 0 HG2 ARG A 24 6.839 10.170 7.046 1.00 41.44 H new ATOM 0 HG3 ARG A 24 5.423 9.684 6.137 1.00 41.44 H new ATOM 0 HD2 ARG A 24 6.051 8.613 8.929 1.00 53.35 H new ATOM 0 HD3 ARG A 24 5.050 10.025 8.652 1.00 53.35 H new ATOM 0 HE ARG A 24 3.831 8.188 7.011 1.00 3.11 H new ATOM 0 HH11 ARG A 24 4.900 8.003 10.412 1.00 24.30 H new ATOM 0 HH12 ARG A 24 3.651 6.838 10.864 1.00 24.30 H new ATOM 0 HH21 ARG A 24 2.248 6.707 7.597 1.00 54.54 H new ATOM 0 HH22 ARG A 24 2.141 6.102 9.253 1.00 54.54 H new ATOM 434 N PHE A 25 8.459 6.282 4.619 1.00 64.32 N ATOM 435 CA PHE A 25 9.214 5.064 4.379 1.00 21.45 C ATOM 436 C PHE A 25 9.446 4.849 2.882 1.00 22.31 C ATOM 437 O PHE A 25 8.733 4.077 2.244 1.00 4.20 O ATOM 438 CB PHE A 25 8.380 3.905 4.925 1.00 21.33 C ATOM 439 CG PHE A 25 7.544 4.265 6.156 1.00 40.00 C ATOM 440 CD1 PHE A 25 8.120 4.919 7.201 1.00 62.14 C ATOM 441 CD2 PHE A 25 6.227 3.931 6.206 1.00 31.32 C ATOM 442 CE1 PHE A 25 7.345 5.251 8.342 1.00 33.12 C ATOM 443 CE2 PHE A 25 5.452 4.265 7.347 1.00 64.13 C ATOM 444 CZ PHE A 25 6.028 4.919 8.392 1.00 35.34 C ATOM 0 H PHE A 25 7.540 6.308 4.177 1.00 64.32 H new ATOM 0 HA PHE A 25 10.188 5.128 4.865 1.00 21.45 H new ATOM 0 HB2 PHE A 25 7.715 3.547 4.139 1.00 21.33 H new ATOM 0 HB3 PHE A 25 9.046 3.080 5.179 1.00 21.33 H new ATOM 0 HD1 PHE A 25 9.166 5.185 7.162 1.00 62.14 H new ATOM 0 HD2 PHE A 25 5.770 3.411 5.377 1.00 31.32 H new ATOM 0 HE1 PHE A 25 7.802 5.768 9.172 1.00 33.12 H new ATOM 0 HE2 PHE A 25 4.406 4.000 7.386 1.00 64.13 H new ATOM 0 HZ PHE A 25 5.439 5.174 9.261 1.00 35.34 H new ATOM 454 N PRO A 26 10.473 5.565 2.352 1.00 41.11 N ATOM 455 CA PRO A 26 10.808 5.461 0.941 1.00 13.25 C ATOM 456 C PRO A 26 11.528 4.142 0.645 1.00 62.02 C ATOM 457 O PRO A 26 11.479 3.643 -0.478 1.00 74.20 O ATOM 458 CB PRO A 26 11.662 6.682 0.648 1.00 14.12 C ATOM 459 CG PRO A 26 12.159 7.177 1.995 1.00 11.53 C ATOM 460 CD PRO A 26 11.340 6.490 3.075 1.00 22.31 C ATOM 0 HA PRO A 26 9.927 5.445 0.299 1.00 13.25 H new ATOM 0 HB2 PRO A 26 12.496 6.427 -0.006 1.00 14.12 H new ATOM 0 HB3 PRO A 26 11.081 7.452 0.139 1.00 14.12 H new ATOM 0 HG2 PRO A 26 13.218 6.951 2.118 1.00 11.53 H new ATOM 0 HG3 PRO A 26 12.054 8.260 2.067 1.00 11.53 H new ATOM 0 HD2 PRO A 26 11.980 5.962 3.782 1.00 22.31 H new ATOM 0 HD3 PRO A 26 10.758 7.211 3.649 1.00 22.31 H new ATOM 468 N ASN A 27 12.179 3.618 1.671 1.00 3.54 N ATOM 469 CA ASN A 27 12.907 2.368 1.536 1.00 53.31 C ATOM 470 C ASN A 27 12.000 1.206 1.945 1.00 42.04 C ATOM 471 O ASN A 27 12.479 0.168 2.400 1.00 41.30 O ATOM 472 CB ASN A 27 14.139 2.347 2.444 1.00 71.12 C ATOM 473 CG ASN A 27 14.927 3.653 2.331 1.00 53.14 C ATOM 474 OD1 ASN A 27 15.074 4.229 1.265 1.00 72.44 O ATOM 475 ND2 ASN A 27 15.423 4.087 3.485 1.00 54.31 N ATOM 0 H ASN A 27 12.218 4.036 2.601 1.00 3.54 H new ATOM 0 HA ASN A 27 13.222 2.273 0.497 1.00 53.31 H new ATOM 0 HB2 ASN A 27 13.830 2.193 3.478 1.00 71.12 H new ATOM 0 HB3 ASN A 27 14.780 1.507 2.174 1.00 71.12 H new ATOM 0 HD21 ASN A 27 15.964 4.951 3.515 1.00 54.31 H new ATOM 0 HD22 ASN A 27 15.263 3.556 4.341 1.00 54.31 H new ATOM 482 N ARG A 28 10.704 1.419 1.766 1.00 14.04 N ATOM 483 CA ARG A 28 9.724 0.402 2.110 1.00 70.34 C ATOM 484 C ARG A 28 8.856 0.069 0.895 1.00 20.11 C ATOM 485 O ARG A 28 9.042 0.637 -0.180 1.00 11.54 O ATOM 486 CB ARG A 28 8.826 0.869 3.258 1.00 32.42 C ATOM 487 CG ARG A 28 9.569 0.810 4.593 1.00 75.13 C ATOM 488 CD ARG A 28 10.111 -0.596 4.858 1.00 41.41 C ATOM 489 NE ARG A 28 9.839 -0.989 6.258 1.00 33.42 N ATOM 490 CZ ARG A 28 10.311 -0.326 7.336 1.00 25.54 C ATOM 491 NH1 ARG A 28 11.083 0.770 7.182 1.00 25.31 N ATOM 492 NH2 ARG A 28 10.005 -0.766 8.543 1.00 71.52 N ATOM 0 H ARG A 28 10.310 2.280 1.387 1.00 14.04 H new ATOM 0 HA ARG A 28 10.267 -0.488 2.428 1.00 70.34 H new ATOM 0 HB2 ARG A 28 8.489 1.888 3.070 1.00 32.42 H new ATOM 0 HB3 ARG A 28 7.935 0.243 3.305 1.00 32.42 H new ATOM 0 HG2 ARG A 28 10.391 1.525 4.587 1.00 75.13 H new ATOM 0 HG3 ARG A 28 8.897 1.103 5.400 1.00 75.13 H new ATOM 0 HD2 ARG A 28 9.647 -1.308 4.175 1.00 41.41 H new ATOM 0 HD3 ARG A 28 11.184 -0.623 4.666 1.00 41.41 H new ATOM 0 HE ARG A 28 9.259 -1.812 6.419 1.00 33.42 H new ATOM 0 HH11 ARG A 28 11.314 1.104 6.246 1.00 25.31 H new ATOM 0 HH12 ARG A 28 11.435 1.265 8.001 1.00 25.31 H new ATOM 0 HH21 ARG A 28 9.420 -1.595 8.651 1.00 71.52 H new ATOM 0 HH22 ARG A 28 10.353 -0.277 9.368 1.00 71.52 H new ATOM 506 N ILE A 29 7.926 -0.852 1.106 1.00 73.21 N ATOM 507 CA ILE A 29 7.030 -1.268 0.042 1.00 73.02 C ATOM 508 C ILE A 29 5.634 -1.506 0.622 1.00 4.10 C ATOM 509 O ILE A 29 5.369 -2.558 1.198 1.00 71.12 O ATOM 510 CB ILE A 29 7.602 -2.477 -0.699 1.00 63.20 C ATOM 511 CG1 ILE A 29 9.002 -2.178 -1.239 1.00 33.13 C ATOM 512 CG2 ILE A 29 6.650 -2.945 -1.803 1.00 31.31 C ATOM 513 CD1 ILE A 29 8.943 -1.170 -2.389 1.00 4.23 C ATOM 0 H ILE A 29 7.775 -1.321 1.999 1.00 73.21 H new ATOM 0 HA ILE A 29 6.936 -0.481 -0.706 1.00 73.02 H new ATOM 0 HB ILE A 29 7.700 -3.298 0.012 1.00 63.20 H new ATOM 0 HG12 ILE A 29 9.628 -1.785 -0.438 1.00 33.13 H new ATOM 0 HG13 ILE A 29 9.468 -3.101 -1.584 1.00 33.13 H new ATOM 0 HG21 ILE A 29 7.081 -3.806 -2.314 1.00 31.31 H new ATOM 0 HG22 ILE A 29 5.693 -3.226 -1.363 1.00 31.31 H new ATOM 0 HG23 ILE A 29 6.497 -2.137 -2.519 1.00 31.31 H new ATOM 0 HD11 ILE A 29 9.951 -0.975 -2.754 1.00 4.23 H new ATOM 0 HD12 ILE A 29 8.336 -1.576 -3.198 1.00 4.23 H new ATOM 0 HD13 ILE A 29 8.499 -0.239 -2.035 1.00 4.23 H new ATOM 525 N PRO A 30 4.756 -0.483 0.442 1.00 11.44 N ATOM 526 CA PRO A 30 3.393 -0.571 0.940 1.00 41.20 C ATOM 527 C PRO A 30 2.547 -1.498 0.064 1.00 64.02 C ATOM 528 O PRO A 30 2.442 -1.289 -1.144 1.00 31.24 O ATOM 529 CB PRO A 30 2.885 0.862 0.953 1.00 23.13 C ATOM 530 CG PRO A 30 3.810 1.640 0.030 1.00 14.13 C ATOM 531 CD PRO A 30 5.034 0.779 -0.237 1.00 23.23 C ATOM 0 HA PRO A 30 3.337 -1.008 1.937 1.00 41.20 H new ATOM 0 HB2 PRO A 30 1.853 0.914 0.606 1.00 23.13 H new ATOM 0 HB3 PRO A 30 2.903 1.274 1.962 1.00 23.13 H new ATOM 0 HG2 PRO A 30 3.302 1.882 -0.904 1.00 14.13 H new ATOM 0 HG3 PRO A 30 4.101 2.585 0.489 1.00 14.13 H new ATOM 0 HD2 PRO A 30 5.186 0.628 -1.306 1.00 23.23 H new ATOM 0 HD3 PRO A 30 5.939 1.246 0.151 1.00 23.23 H new ATOM 539 N VAL A 31 1.966 -2.499 0.707 1.00 35.55 N ATOM 540 CA VAL A 31 1.132 -3.458 0.001 1.00 53.01 C ATOM 541 C VAL A 31 -0.103 -3.775 0.849 1.00 30.13 C ATOM 542 O VAL A 31 -0.202 -3.338 1.993 1.00 73.51 O ATOM 543 CB VAL A 31 1.949 -4.702 -0.352 1.00 32.41 C ATOM 544 CG1 VAL A 31 3.401 -4.334 -0.662 1.00 75.34 C ATOM 545 CG2 VAL A 31 1.876 -5.743 0.767 1.00 45.11 C ATOM 0 H VAL A 31 2.056 -2.668 1.709 1.00 35.55 H new ATOM 0 HA VAL A 31 0.781 -3.038 -0.941 1.00 53.01 H new ATOM 0 HB VAL A 31 1.515 -5.143 -1.249 1.00 32.41 H new ATOM 0 HG11 VAL A 31 3.960 -5.236 -0.910 1.00 75.34 H new ATOM 0 HG12 VAL A 31 3.430 -3.646 -1.507 1.00 75.34 H new ATOM 0 HG13 VAL A 31 3.850 -3.857 0.210 1.00 75.34 H new ATOM 0 HG21 VAL A 31 2.466 -6.617 0.490 1.00 45.11 H new ATOM 0 HG22 VAL A 31 2.272 -5.315 1.688 1.00 45.11 H new ATOM 0 HG23 VAL A 31 0.838 -6.039 0.921 1.00 45.11 H new ATOM 555 N ILE A 32 -1.011 -4.531 0.252 1.00 65.24 N ATOM 556 CA ILE A 32 -2.235 -4.912 0.937 1.00 51.12 C ATOM 557 C ILE A 32 -2.547 -6.379 0.638 1.00 43.11 C ATOM 558 O ILE A 32 -2.910 -6.723 -0.486 1.00 14.33 O ATOM 559 CB ILE A 32 -3.373 -3.955 0.572 1.00 11.34 C ATOM 560 CG1 ILE A 32 -2.886 -2.504 0.560 1.00 25.11 C ATOM 561 CG2 ILE A 32 -4.573 -4.149 1.502 1.00 63.41 C ATOM 562 CD1 ILE A 32 -2.742 -1.962 1.985 1.00 50.14 C ATOM 0 H ILE A 32 -0.924 -4.890 -0.699 1.00 65.24 H new ATOM 0 HA ILE A 32 -2.110 -4.826 2.016 1.00 51.12 H new ATOM 0 HB ILE A 32 -3.707 -4.191 -0.438 1.00 11.34 H new ATOM 0 HG12 ILE A 32 -1.927 -2.443 0.045 1.00 25.11 H new ATOM 0 HG13 ILE A 32 -3.588 -1.886 0.001 1.00 25.11 H new ATOM 0 HG21 ILE A 32 -5.367 -3.457 1.221 1.00 63.41 H new ATOM 0 HG22 ILE A 32 -4.937 -5.173 1.417 1.00 63.41 H new ATOM 0 HG23 ILE A 32 -4.271 -3.955 2.531 1.00 63.41 H new ATOM 0 HD11 ILE A 32 -2.395 -0.929 1.948 1.00 50.14 H new ATOM 0 HD12 ILE A 32 -3.708 -2.002 2.489 1.00 50.14 H new ATOM 0 HD13 ILE A 32 -2.021 -2.568 2.534 1.00 50.14 H new ATOM 574 N CYS A 33 -2.395 -7.204 1.663 1.00 2.21 N ATOM 575 CA CYS A 33 -2.655 -8.626 1.524 1.00 35.42 C ATOM 576 C CYS A 33 -4.156 -8.860 1.702 1.00 3.32 C ATOM 577 O CYS A 33 -4.817 -8.134 2.444 1.00 43.20 O ATOM 578 CB CYS A 33 -1.828 -9.452 2.513 1.00 33.30 C ATOM 579 SG CYS A 33 -1.282 -11.009 1.725 1.00 13.01 S ATOM 0 H CYS A 33 -2.095 -6.914 2.594 1.00 2.21 H new ATOM 0 HA CYS A 33 -2.352 -8.958 0.531 1.00 35.42 H new ATOM 0 HB2 CYS A 33 -0.962 -8.879 2.843 1.00 33.30 H new ATOM 0 HB3 CYS A 33 -2.421 -9.673 3.400 1.00 33.30 H new ATOM 0 HG CYS A 33 0.012 -11.000 1.596 1.00 13.01 H new ATOM 585 N GLU A 34 -4.651 -9.874 1.009 1.00 15.11 N ATOM 586 CA GLU A 34 -6.063 -10.211 1.083 1.00 60.01 C ATOM 587 C GLU A 34 -6.255 -11.725 0.955 1.00 42.00 C ATOM 588 O GLU A 34 -5.307 -12.451 0.659 1.00 21.50 O ATOM 589 CB GLU A 34 -6.861 -9.466 0.010 1.00 74.13 C ATOM 590 CG GLU A 34 -8.334 -9.350 0.405 1.00 21.12 C ATOM 591 CD GLU A 34 -9.189 -10.359 -0.366 1.00 33.02 C ATOM 592 OE1 GLU A 34 -8.862 -10.700 -1.512 1.00 61.31 O ATOM 593 OE2 GLU A 34 -10.226 -10.792 0.267 1.00 64.42 O ATOM 0 H GLU A 34 -4.101 -10.473 0.394 1.00 15.11 H new ATOM 0 HA GLU A 34 -6.441 -9.897 2.056 1.00 60.01 H new ATOM 0 HB2 GLU A 34 -6.440 -8.471 -0.136 1.00 74.13 H new ATOM 0 HB3 GLU A 34 -6.776 -9.991 -0.942 1.00 74.13 H new ATOM 0 HG2 GLU A 34 -8.442 -9.520 1.476 1.00 21.12 H new ATOM 0 HG3 GLU A 34 -8.689 -8.339 0.205 1.00 21.12 H new ATOM 601 N LYS A 35 -7.486 -12.155 1.186 1.00 12.15 N ATOM 602 CA LYS A 35 -7.814 -13.567 1.101 1.00 74.11 C ATOM 603 C LYS A 35 -8.829 -13.786 -0.023 1.00 65.13 C ATOM 604 O LYS A 35 -9.881 -13.148 -0.046 1.00 52.34 O ATOM 605 CB LYS A 35 -8.280 -14.093 2.460 1.00 54.43 C ATOM 606 CG LYS A 35 -7.918 -15.568 2.631 1.00 11.23 C ATOM 607 CD LYS A 35 -8.858 -16.462 1.818 1.00 11.40 C ATOM 608 CE LYS A 35 -10.152 -16.738 2.585 1.00 71.14 C ATOM 609 NZ LYS A 35 -10.364 -15.713 3.631 1.00 23.43 N ATOM 0 H LYS A 35 -8.269 -11.550 1.432 1.00 12.15 H new ATOM 0 HA LYS A 35 -6.927 -14.147 0.847 1.00 74.11 H new ATOM 0 HB2 LYS A 35 -7.821 -13.508 3.257 1.00 54.43 H new ATOM 0 HB3 LYS A 35 -9.359 -13.967 2.552 1.00 54.43 H new ATOM 0 HG2 LYS A 35 -6.889 -15.733 2.313 1.00 11.23 H new ATOM 0 HG3 LYS A 35 -7.973 -15.840 3.685 1.00 11.23 H new ATOM 0 HD2 LYS A 35 -9.090 -15.982 0.867 1.00 11.40 H new ATOM 0 HD3 LYS A 35 -8.360 -17.404 1.587 1.00 11.40 H new ATOM 0 HE2 LYS A 35 -10.996 -16.742 1.896 1.00 71.14 H new ATOM 0 HE3 LYS A 35 -10.107 -17.727 3.041 1.00 71.14 H new ATOM 0 HZ1 LYS A 35 -11.220 -15.944 4.175 1.00 23.43 H new ATOM 0 HZ2 LYS A 35 -9.543 -15.693 4.269 1.00 23.43 H new ATOM 0 HZ3 LYS A 35 -10.479 -14.780 3.185 1.00 23.43 H new ATOM 623 N ALA A 36 -8.477 -14.686 -0.928 1.00 44.15 N ATOM 624 CA ALA A 36 -9.345 -14.995 -2.053 1.00 42.21 C ATOM 625 C ALA A 36 -10.703 -15.464 -1.528 1.00 35.03 C ATOM 626 O ALA A 36 -10.904 -15.570 -0.319 1.00 61.54 O ATOM 627 CB ALA A 36 -8.672 -16.040 -2.944 1.00 55.13 C ATOM 0 H ALA A 36 -7.603 -15.212 -0.906 1.00 44.15 H new ATOM 0 HA ALA A 36 -9.515 -14.108 -2.663 1.00 42.21 H new ATOM 0 HB1 ALA A 36 -9.322 -16.272 -3.787 1.00 55.13 H new ATOM 0 HB2 ALA A 36 -7.725 -15.647 -3.313 1.00 55.13 H new ATOM 0 HB3 ALA A 36 -8.489 -16.946 -2.367 1.00 55.13 H new ATOM 633 N GLU A 37 -11.602 -15.733 -2.465 1.00 33.15 N ATOM 634 CA GLU A 37 -12.937 -16.188 -2.113 1.00 72.10 C ATOM 635 C GLU A 37 -13.010 -17.715 -2.176 1.00 21.01 C ATOM 636 O GLU A 37 -13.454 -18.359 -1.227 1.00 64.00 O ATOM 637 CB GLU A 37 -13.990 -15.550 -3.020 1.00 2.12 C ATOM 638 CG GLU A 37 -13.856 -16.057 -4.457 1.00 54.13 C ATOM 639 CD GLU A 37 -14.722 -15.233 -5.413 1.00 3.31 C ATOM 640 OE1 GLU A 37 -14.451 -14.040 -5.620 1.00 60.30 O ATOM 641 OE2 GLU A 37 -15.704 -15.874 -5.949 1.00 23.54 O ATOM 0 H GLU A 37 -11.432 -15.645 -3.467 1.00 33.15 H new ATOM 0 HA GLU A 37 -13.149 -15.876 -1.091 1.00 72.10 H new ATOM 0 HB2 GLU A 37 -14.987 -15.777 -2.642 1.00 2.12 H new ATOM 0 HB3 GLU A 37 -13.882 -14.466 -3.002 1.00 2.12 H new ATOM 0 HG2 GLU A 37 -12.813 -16.005 -4.769 1.00 54.13 H new ATOM 0 HG3 GLU A 37 -14.151 -17.105 -4.505 1.00 54.13 H new ATOM 649 N LYS A 38 -12.568 -18.251 -3.304 1.00 32.50 N ATOM 650 CA LYS A 38 -12.577 -19.689 -3.503 1.00 70.13 C ATOM 651 C LYS A 38 -11.838 -20.366 -2.347 1.00 34.33 C ATOM 652 O LYS A 38 -12.313 -21.360 -1.799 1.00 61.34 O ATOM 653 CB LYS A 38 -12.016 -20.043 -4.882 1.00 31.21 C ATOM 654 CG LYS A 38 -13.077 -19.859 -5.969 1.00 30.31 C ATOM 655 CD LYS A 38 -13.788 -21.180 -6.271 1.00 62.11 C ATOM 656 CE LYS A 38 -12.888 -22.114 -7.084 1.00 24.23 C ATOM 657 NZ LYS A 38 -12.056 -22.945 -6.184 1.00 2.33 N ATOM 0 H LYS A 38 -12.201 -17.714 -4.090 1.00 32.50 H new ATOM 0 HA LYS A 38 -13.599 -20.067 -3.493 1.00 70.13 H new ATOM 0 HB2 LYS A 38 -11.154 -19.413 -5.100 1.00 31.21 H new ATOM 0 HB3 LYS A 38 -11.665 -21.075 -4.882 1.00 31.21 H new ATOM 0 HG2 LYS A 38 -13.806 -19.115 -5.648 1.00 30.31 H new ATOM 0 HG3 LYS A 38 -12.610 -19.477 -6.877 1.00 30.31 H new ATOM 0 HD2 LYS A 38 -14.073 -21.665 -5.338 1.00 62.11 H new ATOM 0 HD3 LYS A 38 -14.708 -20.984 -6.822 1.00 62.11 H new ATOM 0 HE2 LYS A 38 -13.499 -22.755 -7.719 1.00 24.23 H new ATOM 0 HE3 LYS A 38 -12.248 -21.528 -7.744 1.00 24.23 H new ATOM 0 HZ1 LYS A 38 -12.011 -23.917 -6.552 1.00 2.33 H new ATOM 0 HZ2 LYS A 38 -11.096 -22.549 -6.135 1.00 2.33 H new ATOM 0 HZ3 LYS A 38 -12.476 -22.954 -5.233 1.00 2.33 H new ATOM 671 N SER A 39 -10.689 -19.799 -2.009 1.00 31.52 N ATOM 672 CA SER A 39 -9.880 -20.335 -0.928 1.00 23.13 C ATOM 673 C SER A 39 -10.777 -20.751 0.240 1.00 61.22 C ATOM 674 O SER A 39 -11.894 -20.256 0.377 1.00 52.33 O ATOM 675 CB SER A 39 -8.840 -19.314 -0.462 1.00 23.31 C ATOM 676 OG SER A 39 -8.369 -19.596 0.854 1.00 4.43 O ATOM 0 H SER A 39 -10.299 -18.974 -2.465 1.00 31.52 H new ATOM 0 HA SER A 39 -9.349 -21.211 -1.299 1.00 23.13 H new ATOM 0 HB2 SER A 39 -7.999 -19.311 -1.155 1.00 23.31 H new ATOM 0 HB3 SER A 39 -9.276 -18.315 -0.485 1.00 23.31 H new ATOM 0 HG SER A 39 -9.027 -19.285 1.511 1.00 4.43 H new ATOM 682 N ASP A 40 -10.253 -21.657 1.052 1.00 65.12 N ATOM 683 CA ASP A 40 -10.992 -22.146 2.204 1.00 2.54 C ATOM 684 C ASP A 40 -10.239 -21.773 3.484 1.00 55.42 C ATOM 685 O ASP A 40 -10.730 -22.008 4.587 1.00 54.00 O ATOM 686 CB ASP A 40 -11.130 -23.668 2.165 1.00 11.34 C ATOM 687 CG ASP A 40 -9.942 -24.442 2.741 1.00 55.40 C ATOM 688 OD1 ASP A 40 -10.054 -25.096 3.789 1.00 20.22 O ATOM 689 OD2 ASP A 40 -8.850 -24.351 2.060 1.00 14.32 O ATOM 0 H ASP A 40 -9.326 -22.065 0.935 1.00 65.12 H new ATOM 0 HA ASP A 40 -11.983 -21.693 2.185 1.00 2.54 H new ATOM 0 HB2 ASP A 40 -12.028 -23.950 2.714 1.00 11.34 H new ATOM 0 HB3 ASP A 40 -11.278 -23.978 1.130 1.00 11.34 H new ATOM 695 N ILE A 41 -9.061 -21.197 3.292 1.00 65.22 N ATOM 696 CA ILE A 41 -8.236 -20.789 4.416 1.00 75.43 C ATOM 697 C ILE A 41 -8.972 -19.713 5.219 1.00 34.44 C ATOM 698 O ILE A 41 -9.923 -19.108 4.726 1.00 24.44 O ATOM 699 CB ILE A 41 -6.850 -20.357 3.936 1.00 1.44 C ATOM 700 CG1 ILE A 41 -6.824 -18.864 3.604 1.00 4.10 C ATOM 701 CG2 ILE A 41 -6.390 -21.214 2.754 1.00 21.52 C ATOM 702 CD1 ILE A 41 -5.809 -18.564 2.501 1.00 2.30 C ATOM 0 H ILE A 41 -8.659 -21.003 2.375 1.00 65.22 H new ATOM 0 HA ILE A 41 -8.066 -21.630 5.088 1.00 75.43 H new ATOM 0 HB ILE A 41 -6.141 -20.518 4.748 1.00 1.44 H new ATOM 0 HG12 ILE A 41 -7.816 -18.541 3.288 1.00 4.10 H new ATOM 0 HG13 ILE A 41 -6.573 -18.294 4.498 1.00 4.10 H new ATOM 0 HG21 ILE A 41 -5.402 -20.887 2.431 1.00 21.52 H new ATOM 0 HG22 ILE A 41 -6.345 -22.260 3.058 1.00 21.52 H new ATOM 0 HG23 ILE A 41 -7.095 -21.106 1.930 1.00 21.52 H new ATOM 0 HD11 ILE A 41 -5.811 -17.496 2.285 1.00 2.30 H new ATOM 0 HD12 ILE A 41 -4.814 -18.865 2.830 1.00 2.30 H new ATOM 0 HD13 ILE A 41 -6.076 -19.117 1.600 1.00 2.30 H new ATOM 714 N PRO A 42 -8.490 -19.502 6.472 1.00 50.44 N ATOM 715 CA PRO A 42 -9.091 -18.509 7.349 1.00 24.42 C ATOM 716 C PRO A 42 -8.699 -17.094 6.922 1.00 24.50 C ATOM 717 O PRO A 42 -7.517 -16.802 6.736 1.00 43.12 O ATOM 718 CB PRO A 42 -8.602 -18.867 8.743 1.00 64.40 C ATOM 719 CG PRO A 42 -7.384 -19.754 8.543 1.00 30.21 C ATOM 720 CD PRO A 42 -7.366 -20.199 7.089 1.00 32.44 C ATOM 0 HA PRO A 42 -10.180 -18.517 7.311 1.00 24.42 H new ATOM 0 HB2 PRO A 42 -8.344 -17.971 9.308 1.00 64.40 H new ATOM 0 HB3 PRO A 42 -9.376 -19.388 9.307 1.00 64.40 H new ATOM 0 HG2 PRO A 42 -6.471 -19.210 8.787 1.00 30.21 H new ATOM 0 HG3 PRO A 42 -7.428 -20.618 9.206 1.00 30.21 H new ATOM 0 HD2 PRO A 42 -6.425 -19.936 6.607 1.00 32.44 H new ATOM 0 HD3 PRO A 42 -7.476 -21.280 7.005 1.00 32.44 H new ATOM 728 N GLU A 43 -9.711 -16.252 6.780 1.00 42.44 N ATOM 729 CA GLU A 43 -9.487 -14.872 6.379 1.00 50.22 C ATOM 730 C GLU A 43 -8.473 -14.207 7.311 1.00 11.31 C ATOM 731 O GLU A 43 -8.208 -14.707 8.404 1.00 21.42 O ATOM 732 CB GLU A 43 -10.800 -14.089 6.350 1.00 1.13 C ATOM 733 CG GLU A 43 -10.694 -12.874 5.427 1.00 32.10 C ATOM 734 CD GLU A 43 -12.055 -12.525 4.821 1.00 74.43 C ATOM 735 OE1 GLU A 43 -12.561 -11.412 5.033 1.00 70.25 O ATOM 736 OE2 GLU A 43 -12.591 -13.457 4.108 1.00 12.44 O ATOM 0 H GLU A 43 -10.689 -16.498 6.935 1.00 42.44 H new ATOM 0 HA GLU A 43 -9.079 -14.870 5.368 1.00 50.22 H new ATOM 0 HB2 GLU A 43 -11.607 -14.738 6.011 1.00 1.13 H new ATOM 0 HB3 GLU A 43 -11.055 -13.763 7.358 1.00 1.13 H new ATOM 0 HG2 GLU A 43 -10.311 -12.020 5.986 1.00 32.10 H new ATOM 0 HG3 GLU A 43 -9.979 -13.079 4.630 1.00 32.10 H new ATOM 744 N ILE A 44 -7.933 -13.090 6.846 1.00 60.22 N ATOM 745 CA ILE A 44 -6.953 -12.353 7.625 1.00 23.32 C ATOM 746 C ILE A 44 -7.667 -11.275 8.446 1.00 4.52 C ATOM 747 O ILE A 44 -8.840 -10.988 8.212 1.00 3.42 O ATOM 748 CB ILE A 44 -5.851 -11.801 6.716 1.00 42.45 C ATOM 749 CG1 ILE A 44 -4.865 -10.943 7.511 1.00 43.41 C ATOM 750 CG2 ILE A 44 -6.446 -11.043 5.530 1.00 73.53 C ATOM 751 CD1 ILE A 44 -3.650 -10.573 6.657 1.00 33.21 C ATOM 0 H ILE A 44 -8.156 -12.678 5.940 1.00 60.22 H new ATOM 0 HA ILE A 44 -6.452 -13.015 8.331 1.00 23.32 H new ATOM 0 HB ILE A 44 -5.290 -12.642 6.309 1.00 42.45 H new ATOM 0 HG12 ILE A 44 -5.362 -10.036 7.856 1.00 43.41 H new ATOM 0 HG13 ILE A 44 -4.539 -11.485 8.399 1.00 43.41 H new ATOM 0 HG21 ILE A 44 -5.641 -10.662 4.901 1.00 73.53 H new ATOM 0 HG22 ILE A 44 -7.075 -11.716 4.947 1.00 73.53 H new ATOM 0 HG23 ILE A 44 -7.047 -10.210 5.895 1.00 73.53 H new ATOM 0 HD11 ILE A 44 -2.964 -9.963 7.245 1.00 33.21 H new ATOM 0 HD12 ILE A 44 -3.142 -11.482 6.334 1.00 33.21 H new ATOM 0 HD13 ILE A 44 -3.977 -10.010 5.783 1.00 33.21 H new ATOM 763 N ASP A 45 -6.930 -10.711 9.390 1.00 33.03 N ATOM 764 CA ASP A 45 -7.478 -9.674 10.248 1.00 71.14 C ATOM 765 C ASP A 45 -7.908 -8.484 9.388 1.00 0.43 C ATOM 766 O ASP A 45 -9.062 -8.059 9.442 1.00 74.13 O ATOM 767 CB ASP A 45 -6.434 -9.181 11.252 1.00 41.02 C ATOM 768 CG ASP A 45 -5.056 -8.884 10.657 1.00 61.43 C ATOM 769 OD1 ASP A 45 -4.528 -9.662 9.850 1.00 63.25 O ATOM 770 OD2 ASP A 45 -4.513 -7.786 11.063 1.00 2.34 O ATOM 0 H ASP A 45 -5.957 -10.952 9.580 1.00 33.03 H new ATOM 0 HA ASP A 45 -8.326 -10.095 10.789 1.00 71.14 H new ATOM 0 HB2 ASP A 45 -6.810 -8.276 11.730 1.00 41.02 H new ATOM 0 HB3 ASP A 45 -6.321 -9.931 12.035 1.00 41.02 H new ATOM 776 N LYS A 46 -6.957 -7.978 8.617 1.00 54.04 N ATOM 777 CA LYS A 46 -7.224 -6.845 7.747 1.00 51.14 C ATOM 778 C LYS A 46 -6.230 -6.856 6.584 1.00 4.32 C ATOM 779 O LYS A 46 -5.373 -7.735 6.502 1.00 25.51 O ATOM 780 CB LYS A 46 -7.217 -5.542 8.549 1.00 35.22 C ATOM 781 CG LYS A 46 -6.054 -5.515 9.543 1.00 72.31 C ATOM 782 CD LYS A 46 -4.748 -5.124 8.849 1.00 10.44 C ATOM 783 CE LYS A 46 -3.536 -5.621 9.641 1.00 5.34 C ATOM 784 NZ LYS A 46 -2.309 -4.919 9.206 1.00 3.44 N ATOM 0 H LYS A 46 -6.001 -8.331 8.576 1.00 54.04 H new ATOM 0 HA LYS A 46 -8.222 -6.922 7.315 1.00 51.14 H new ATOM 0 HB2 LYS A 46 -7.139 -4.693 7.870 1.00 35.22 H new ATOM 0 HB3 LYS A 46 -8.160 -5.436 9.085 1.00 35.22 H new ATOM 0 HG2 LYS A 46 -6.271 -4.807 10.343 1.00 72.31 H new ATOM 0 HG3 LYS A 46 -5.944 -6.495 10.006 1.00 72.31 H new ATOM 0 HD2 LYS A 46 -4.727 -5.544 7.843 1.00 10.44 H new ATOM 0 HD3 LYS A 46 -4.698 -4.040 8.743 1.00 10.44 H new ATOM 0 HE2 LYS A 46 -3.698 -5.456 10.706 1.00 5.34 H new ATOM 0 HE3 LYS A 46 -3.417 -6.695 9.499 1.00 5.34 H new ATOM 0 HZ1 LYS A 46 -1.499 -5.256 9.765 1.00 3.44 H new ATOM 0 HZ2 LYS A 46 -2.138 -5.111 8.198 1.00 3.44 H new ATOM 0 HZ3 LYS A 46 -2.426 -3.895 9.348 1.00 3.44 H new ATOM 798 N ARG A 47 -6.378 -5.870 5.712 1.00 22.33 N ATOM 799 CA ARG A 47 -5.504 -5.755 4.557 1.00 73.31 C ATOM 800 C ARG A 47 -4.545 -4.575 4.731 1.00 10.15 C ATOM 801 O ARG A 47 -4.890 -3.438 4.411 1.00 4.24 O ATOM 802 CB ARG A 47 -6.313 -5.560 3.272 1.00 1.04 C ATOM 803 CG ARG A 47 -7.717 -6.149 3.414 1.00 52.44 C ATOM 804 CD ARG A 47 -8.479 -6.076 2.089 1.00 32.42 C ATOM 805 NE ARG A 47 -7.593 -6.475 0.973 1.00 24.35 N ATOM 806 CZ ARG A 47 -7.749 -6.063 -0.303 1.00 51.53 C ATOM 807 NH1 ARG A 47 -8.761 -5.232 -0.635 1.00 63.21 N ATOM 808 NH2 ARG A 47 -6.898 -6.482 -1.220 1.00 1.01 N ATOM 0 H ARG A 47 -7.090 -5.143 5.782 1.00 22.33 H new ATOM 0 HA ARG A 47 -4.935 -6.681 4.479 1.00 73.31 H new ATOM 0 HB2 ARG A 47 -6.382 -4.497 3.039 1.00 1.04 H new ATOM 0 HB3 ARG A 47 -5.798 -6.036 2.438 1.00 1.04 H new ATOM 0 HG2 ARG A 47 -7.649 -7.186 3.742 1.00 52.44 H new ATOM 0 HG3 ARG A 47 -8.266 -5.607 4.184 1.00 52.44 H new ATOM 0 HD2 ARG A 47 -9.350 -6.730 2.124 1.00 32.42 H new ATOM 0 HD3 ARG A 47 -8.848 -5.063 1.927 1.00 32.42 H new ATOM 0 HE ARG A 47 -6.815 -7.101 1.181 1.00 24.35 H new ATOM 0 HH11 ARG A 47 -9.413 -4.912 0.081 1.00 63.21 H new ATOM 0 HH12 ARG A 47 -8.873 -4.925 -1.601 1.00 63.21 H new ATOM 0 HH21 ARG A 47 -6.136 -7.108 -0.960 1.00 1.01 H new ATOM 0 HH22 ARG A 47 -7.002 -6.180 -2.189 1.00 1.01 H new ATOM 822 N LYS A 48 -3.360 -4.887 5.237 1.00 32.22 N ATOM 823 CA LYS A 48 -2.350 -3.867 5.457 1.00 13.13 C ATOM 824 C LYS A 48 -1.000 -4.540 5.710 1.00 65.41 C ATOM 825 O LYS A 48 -0.796 -5.160 6.753 1.00 32.21 O ATOM 826 CB LYS A 48 -2.783 -2.915 6.575 1.00 2.52 C ATOM 827 CG LYS A 48 -2.331 -1.483 6.283 1.00 31.03 C ATOM 828 CD LYS A 48 -0.834 -1.433 5.974 1.00 5.15 C ATOM 829 CE LYS A 48 -0.005 -1.599 7.250 1.00 62.34 C ATOM 830 NZ LYS A 48 -0.087 -2.992 7.743 1.00 61.43 N ATOM 0 H LYS A 48 -3.078 -5.831 5.500 1.00 32.22 H new ATOM 0 HA LYS A 48 -2.236 -3.246 4.569 1.00 13.13 H new ATOM 0 HB2 LYS A 48 -3.867 -2.943 6.681 1.00 2.52 H new ATOM 0 HB3 LYS A 48 -2.361 -3.247 7.524 1.00 2.52 H new ATOM 0 HG2 LYS A 48 -2.894 -1.085 5.438 1.00 31.03 H new ATOM 0 HG3 LYS A 48 -2.550 -0.847 7.140 1.00 31.03 H new ATOM 0 HD2 LYS A 48 -0.579 -2.221 5.265 1.00 5.15 H new ATOM 0 HD3 LYS A 48 -0.589 -0.484 5.498 1.00 5.15 H new ATOM 0 HE2 LYS A 48 1.034 -1.338 7.052 1.00 62.34 H new ATOM 0 HE3 LYS A 48 -0.366 -0.914 8.017 1.00 62.34 H new ATOM 0 HZ1 LYS A 48 -0.627 -3.015 8.631 1.00 61.43 H new ATOM 0 HZ2 LYS A 48 -0.563 -3.584 7.033 1.00 61.43 H new ATOM 0 HZ3 LYS A 48 0.872 -3.358 7.912 1.00 61.43 H new ATOM 844 N TYR A 49 -0.111 -4.395 4.739 1.00 55.14 N ATOM 845 CA TYR A 49 1.216 -4.980 4.843 1.00 61.12 C ATOM 846 C TYR A 49 2.279 -4.032 4.288 1.00 45.23 C ATOM 847 O TYR A 49 2.256 -3.689 3.108 1.00 72.34 O ATOM 848 CB TYR A 49 1.183 -6.249 3.988 1.00 0.44 C ATOM 849 CG TYR A 49 0.578 -7.462 4.697 1.00 32.21 C ATOM 850 CD1 TYR A 49 -0.789 -7.546 4.873 1.00 4.35 C ATOM 851 CD2 TYR A 49 1.396 -8.472 5.159 1.00 44.50 C ATOM 852 CE1 TYR A 49 -1.359 -8.687 5.540 1.00 40.03 C ATOM 853 CE2 TYR A 49 0.826 -9.614 5.825 1.00 10.22 C ATOM 854 CZ TYR A 49 -0.524 -9.665 5.983 1.00 11.31 C ATOM 855 OH TYR A 49 -1.064 -10.744 6.613 1.00 30.03 O ATOM 0 H TYR A 49 -0.283 -3.880 3.875 1.00 55.14 H new ATOM 0 HA TYR A 49 1.466 -5.183 5.884 1.00 61.12 H new ATOM 0 HB2 TYR A 49 0.612 -6.049 3.081 1.00 0.44 H new ATOM 0 HB3 TYR A 49 2.199 -6.492 3.678 1.00 0.44 H new ATOM 0 HD1 TYR A 49 -1.430 -6.756 4.510 1.00 4.35 H new ATOM 0 HD2 TYR A 49 2.465 -8.406 5.021 1.00 44.50 H new ATOM 0 HE1 TYR A 49 -2.426 -8.765 5.686 1.00 40.03 H new ATOM 0 HE2 TYR A 49 1.456 -10.412 6.191 1.00 10.22 H new ATOM 0 HH TYR A 49 -0.502 -11.531 6.453 1.00 30.03 H new ATOM 865 N LEU A 50 3.188 -3.633 5.167 1.00 74.33 N ATOM 866 CA LEU A 50 4.259 -2.731 4.780 1.00 43.30 C ATOM 867 C LEU A 50 5.563 -3.520 4.648 1.00 30.44 C ATOM 868 O LEU A 50 6.416 -3.466 5.532 1.00 14.21 O ATOM 869 CB LEU A 50 4.347 -1.555 5.754 1.00 73.54 C ATOM 870 CG LEU A 50 5.209 -0.373 5.303 1.00 22.24 C ATOM 871 CD1 LEU A 50 5.284 -0.301 3.777 1.00 24.21 C ATOM 872 CD2 LEU A 50 4.708 0.936 5.915 1.00 4.24 C ATOM 0 H LEU A 50 3.204 -3.918 6.146 1.00 74.33 H new ATOM 0 HA LEU A 50 4.053 -2.292 3.804 1.00 43.30 H new ATOM 0 HB2 LEU A 50 3.338 -1.191 5.945 1.00 73.54 H new ATOM 0 HB3 LEU A 50 4.738 -1.923 6.703 1.00 73.54 H new ATOM 0 HG LEU A 50 6.224 -0.531 5.668 1.00 22.24 H new ATOM 0 HD11 LEU A 50 5.902 0.547 3.483 1.00 24.21 H new ATOM 0 HD12 LEU A 50 5.723 -1.221 3.390 1.00 24.21 H new ATOM 0 HD13 LEU A 50 4.281 -0.178 3.369 1.00 24.21 H new ATOM 0 HD21 LEU A 50 5.338 1.760 5.578 1.00 4.24 H new ATOM 0 HD22 LEU A 50 3.679 1.114 5.601 1.00 4.24 H new ATOM 0 HD23 LEU A 50 4.749 0.869 7.002 1.00 4.24 H new ATOM 884 N VAL A 51 5.675 -4.236 3.539 1.00 34.04 N ATOM 885 CA VAL A 51 6.860 -5.035 3.282 1.00 63.40 C ATOM 886 C VAL A 51 7.994 -4.123 2.811 1.00 40.31 C ATOM 887 O VAL A 51 7.748 -3.101 2.169 1.00 53.13 O ATOM 888 CB VAL A 51 6.536 -6.148 2.282 1.00 5.34 C ATOM 889 CG1 VAL A 51 5.521 -7.132 2.869 1.00 22.24 C ATOM 890 CG2 VAL A 51 6.032 -5.566 0.959 1.00 42.33 C ATOM 0 H VAL A 51 4.964 -4.279 2.809 1.00 34.04 H new ATOM 0 HA VAL A 51 7.194 -5.524 4.197 1.00 63.40 H new ATOM 0 HB VAL A 51 7.456 -6.695 2.079 1.00 5.34 H new ATOM 0 HG11 VAL A 51 5.307 -7.913 2.139 1.00 22.24 H new ATOM 0 HG12 VAL A 51 5.931 -7.582 3.773 1.00 22.24 H new ATOM 0 HG13 VAL A 51 4.600 -6.602 3.113 1.00 22.24 H new ATOM 0 HG21 VAL A 51 5.809 -6.377 0.266 1.00 42.33 H new ATOM 0 HG22 VAL A 51 5.128 -4.983 1.139 1.00 42.33 H new ATOM 0 HG23 VAL A 51 6.799 -4.922 0.529 1.00 42.33 H new ATOM 900 N PRO A 52 9.245 -4.532 3.155 1.00 31.35 N ATOM 901 CA PRO A 52 10.416 -3.763 2.774 1.00 52.22 C ATOM 902 C PRO A 52 10.730 -3.940 1.288 1.00 45.42 C ATOM 903 O PRO A 52 10.009 -4.639 0.577 1.00 24.12 O ATOM 904 CB PRO A 52 11.528 -4.265 3.681 1.00 72.44 C ATOM 905 CG PRO A 52 11.059 -5.611 4.210 1.00 72.05 C ATOM 906 CD PRO A 52 9.573 -5.736 3.914 1.00 62.34 C ATOM 0 HA PRO A 52 10.273 -2.690 2.898 1.00 52.22 H new ATOM 0 HB2 PRO A 52 12.464 -4.366 3.132 1.00 72.44 H new ATOM 0 HB3 PRO A 52 11.711 -3.567 4.498 1.00 72.44 H new ATOM 0 HG2 PRO A 52 11.612 -6.421 3.735 1.00 72.05 H new ATOM 0 HG3 PRO A 52 11.242 -5.685 5.282 1.00 72.05 H new ATOM 0 HD2 PRO A 52 9.358 -6.637 3.340 1.00 62.34 H new ATOM 0 HD3 PRO A 52 8.990 -5.796 4.833 1.00 62.34 H new ATOM 914 N ALA A 53 11.808 -3.298 0.862 1.00 53.20 N ATOM 915 CA ALA A 53 12.226 -3.375 -0.528 1.00 13.10 C ATOM 916 C ALA A 53 13.246 -4.506 -0.685 1.00 64.41 C ATOM 917 O ALA A 53 13.981 -4.549 -1.669 1.00 65.24 O ATOM 918 CB ALA A 53 12.783 -2.021 -0.971 1.00 72.45 C ATOM 0 H ALA A 53 12.405 -2.722 1.455 1.00 53.20 H new ATOM 0 HA ALA A 53 11.377 -3.603 -1.173 1.00 13.10 H new ATOM 0 HB1 ALA A 53 13.096 -2.080 -2.013 1.00 72.45 H new ATOM 0 HB2 ALA A 53 12.011 -1.258 -0.866 1.00 72.45 H new ATOM 0 HB3 ALA A 53 13.639 -1.759 -0.349 1.00 72.45 H new ATOM 924 N ASP A 54 13.258 -5.390 0.301 1.00 11.31 N ATOM 925 CA ASP A 54 14.176 -6.516 0.284 1.00 24.43 C ATOM 926 C ASP A 54 13.376 -7.821 0.279 1.00 24.43 C ATOM 927 O ASP A 54 13.751 -8.781 -0.392 1.00 72.41 O ATOM 928 CB ASP A 54 15.071 -6.516 1.525 1.00 32.13 C ATOM 929 CG ASP A 54 15.402 -5.131 2.083 1.00 4.14 C ATOM 930 OD1 ASP A 54 15.721 -4.198 1.329 1.00 20.21 O ATOM 931 OD2 ASP A 54 15.322 -5.025 3.365 1.00 61.44 O ATOM 0 H ASP A 54 12.647 -5.350 1.117 1.00 11.31 H new ATOM 0 HA ASP A 54 14.796 -6.432 -0.608 1.00 24.43 H new ATOM 0 HB2 ASP A 54 14.583 -7.099 2.306 1.00 32.13 H new ATOM 0 HB3 ASP A 54 16.003 -7.026 1.282 1.00 32.13 H new ATOM 937 N LEU A 55 12.288 -7.813 1.035 1.00 53.33 N ATOM 938 CA LEU A 55 11.431 -8.983 1.126 1.00 33.10 C ATOM 939 C LEU A 55 10.934 -9.357 -0.272 1.00 55.22 C ATOM 940 O LEU A 55 10.466 -8.497 -1.018 1.00 73.35 O ATOM 941 CB LEU A 55 10.307 -8.747 2.136 1.00 22.25 C ATOM 942 CG LEU A 55 9.731 -9.998 2.804 1.00 42.04 C ATOM 943 CD1 LEU A 55 10.071 -11.254 1.999 1.00 33.21 C ATOM 944 CD2 LEU A 55 10.193 -10.105 4.258 1.00 41.11 C ATOM 0 H LEU A 55 11.980 -7.015 1.590 1.00 53.33 H new ATOM 0 HA LEU A 55 11.993 -9.837 1.504 1.00 33.10 H new ATOM 0 HB2 LEU A 55 10.679 -8.082 2.915 1.00 22.25 H new ATOM 0 HB3 LEU A 55 9.496 -8.223 1.631 1.00 22.25 H new ATOM 0 HG LEU A 55 8.645 -9.909 2.818 1.00 42.04 H new ATOM 0 HD11 LEU A 55 9.650 -12.129 2.495 1.00 33.21 H new ATOM 0 HD12 LEU A 55 9.652 -11.168 0.997 1.00 33.21 H new ATOM 0 HD13 LEU A 55 11.154 -11.361 1.931 1.00 33.21 H new ATOM 0 HD21 LEU A 55 9.770 -11.002 4.709 1.00 41.11 H new ATOM 0 HD22 LEU A 55 11.281 -10.161 4.291 1.00 41.11 H new ATOM 0 HD23 LEU A 55 9.858 -9.228 4.812 1.00 41.11 H new ATOM 956 N THR A 56 11.052 -10.637 -0.584 1.00 33.54 N ATOM 957 CA THR A 56 10.619 -11.135 -1.880 1.00 20.24 C ATOM 958 C THR A 56 9.176 -11.636 -1.805 1.00 22.22 C ATOM 959 O THR A 56 8.493 -11.423 -0.804 1.00 33.44 O ATOM 960 CB THR A 56 11.612 -12.209 -2.330 1.00 3.12 C ATOM 961 OG1 THR A 56 11.081 -13.418 -1.793 1.00 4.55 O ATOM 962 CG2 THR A 56 12.976 -12.067 -1.650 1.00 24.15 C ATOM 0 H THR A 56 11.441 -11.346 0.037 1.00 33.54 H new ATOM 0 HA THR A 56 10.615 -10.341 -2.627 1.00 20.24 H new ATOM 0 HB THR A 56 11.738 -12.157 -3.411 1.00 3.12 H new ATOM 0 HG1 THR A 56 10.888 -14.043 -2.523 1.00 4.55 H new ATOM 0 HG21 THR A 56 13.643 -12.853 -2.004 1.00 24.15 H new ATOM 0 HG22 THR A 56 13.403 -11.093 -1.891 1.00 24.15 H new ATOM 0 HG23 THR A 56 12.855 -12.153 -0.570 1.00 24.15 H new ATOM 970 N VAL A 57 8.754 -12.291 -2.876 1.00 60.44 N ATOM 971 CA VAL A 57 7.403 -12.823 -2.944 1.00 24.01 C ATOM 972 C VAL A 57 7.320 -14.099 -2.104 1.00 24.23 C ATOM 973 O VAL A 57 6.575 -14.157 -1.128 1.00 23.23 O ATOM 974 CB VAL A 57 6.999 -13.040 -4.404 1.00 35.30 C ATOM 975 CG1 VAL A 57 5.928 -14.127 -4.520 1.00 34.23 C ATOM 976 CG2 VAL A 57 6.528 -11.734 -5.042 1.00 3.30 C ATOM 0 H VAL A 57 9.323 -12.466 -3.704 1.00 60.44 H new ATOM 0 HA VAL A 57 6.690 -12.112 -2.526 1.00 24.01 H new ATOM 0 HB VAL A 57 7.880 -13.379 -4.949 1.00 35.30 H new ATOM 0 HG11 VAL A 57 5.658 -14.262 -5.567 1.00 34.23 H new ATOM 0 HG12 VAL A 57 6.316 -15.064 -4.122 1.00 34.23 H new ATOM 0 HG13 VAL A 57 5.045 -13.830 -3.954 1.00 34.23 H new ATOM 0 HG21 VAL A 57 6.247 -11.916 -6.079 1.00 3.30 H new ATOM 0 HG22 VAL A 57 5.667 -11.352 -4.494 1.00 3.30 H new ATOM 0 HG23 VAL A 57 7.334 -11.001 -5.008 1.00 3.30 H new ATOM 986 N GLY A 58 8.096 -15.091 -2.515 1.00 11.12 N ATOM 987 CA GLY A 58 8.120 -16.364 -1.813 1.00 42.23 C ATOM 988 C GLY A 58 8.495 -16.170 -0.342 1.00 73.23 C ATOM 989 O GLY A 58 8.156 -16.998 0.502 1.00 60.02 O ATOM 0 H GLY A 58 8.713 -15.039 -3.325 1.00 11.12 H new ATOM 0 HA2 GLY A 58 7.142 -16.841 -1.883 1.00 42.23 H new ATOM 0 HA3 GLY A 58 8.836 -17.033 -2.290 1.00 42.23 H new ATOM 993 N GLN A 59 9.190 -15.072 -0.081 1.00 64.11 N ATOM 994 CA GLN A 59 9.615 -14.761 1.274 1.00 61.51 C ATOM 995 C GLN A 59 8.486 -14.065 2.037 1.00 64.21 C ATOM 996 O GLN A 59 8.409 -14.160 3.261 1.00 44.31 O ATOM 997 CB GLN A 59 10.881 -13.904 1.266 1.00 30.41 C ATOM 998 CG GLN A 59 12.095 -14.721 0.820 1.00 65.32 C ATOM 999 CD GLN A 59 13.376 -14.205 1.478 1.00 74.31 C ATOM 1000 OE1 GLN A 59 13.439 -13.968 2.674 1.00 74.53 O ATOM 1001 NE2 GLN A 59 14.391 -14.044 0.635 1.00 1.14 N ATOM 0 H GLN A 59 9.469 -14.387 -0.784 1.00 64.11 H new ATOM 0 HA GLN A 59 9.850 -15.695 1.785 1.00 61.51 H new ATOM 0 HB2 GLN A 59 10.745 -13.054 0.597 1.00 30.41 H new ATOM 0 HB3 GLN A 59 11.057 -13.500 2.263 1.00 30.41 H new ATOM 0 HG2 GLN A 59 11.947 -15.770 1.078 1.00 65.32 H new ATOM 0 HG3 GLN A 59 12.193 -14.670 -0.264 1.00 65.32 H new ATOM 0 HE21 GLN A 59 14.271 -14.261 -0.354 1.00 1.14 H new ATOM 0 HE22 GLN A 59 15.289 -13.704 0.978 1.00 1.14 H new ATOM 1010 N PHE A 60 7.636 -13.383 1.283 1.00 0.21 N ATOM 1011 CA PHE A 60 6.515 -12.673 1.874 1.00 52.15 C ATOM 1012 C PHE A 60 5.470 -13.651 2.414 1.00 43.15 C ATOM 1013 O PHE A 60 4.986 -13.491 3.535 1.00 50.40 O ATOM 1014 CB PHE A 60 5.883 -11.832 0.763 1.00 50.40 C ATOM 1015 CG PHE A 60 4.647 -11.046 1.204 1.00 73.03 C ATOM 1016 CD1 PHE A 60 4.380 -10.885 2.527 1.00 51.21 C ATOM 1017 CD2 PHE A 60 3.815 -10.507 0.272 1.00 61.34 C ATOM 1018 CE1 PHE A 60 3.232 -10.157 2.937 1.00 1.22 C ATOM 1019 CE2 PHE A 60 2.668 -9.779 0.681 1.00 62.21 C ATOM 1020 CZ PHE A 60 2.400 -9.619 2.006 1.00 23.01 C ATOM 0 H PHE A 60 7.701 -13.307 0.268 1.00 0.21 H new ATOM 0 HA PHE A 60 6.860 -12.057 2.704 1.00 52.15 H new ATOM 0 HB2 PHE A 60 6.628 -11.134 0.382 1.00 50.40 H new ATOM 0 HB3 PHE A 60 5.608 -12.488 -0.063 1.00 50.40 H new ATOM 0 HD1 PHE A 60 5.041 -11.311 3.267 1.00 51.21 H new ATOM 0 HD2 PHE A 60 4.028 -10.633 -0.779 1.00 61.34 H new ATOM 0 HE1 PHE A 60 3.020 -10.031 3.988 1.00 1.22 H new ATOM 0 HE2 PHE A 60 2.007 -9.352 -0.059 1.00 62.21 H new ATOM 0 HZ PHE A 60 1.527 -9.065 2.318 1.00 23.01 H new ATOM 1030 N VAL A 61 5.153 -14.641 1.594 1.00 32.35 N ATOM 1031 CA VAL A 61 4.174 -15.644 1.977 1.00 5.44 C ATOM 1032 C VAL A 61 4.369 -16.007 3.450 1.00 71.34 C ATOM 1033 O VAL A 61 3.410 -16.038 4.219 1.00 5.54 O ATOM 1034 CB VAL A 61 4.273 -16.855 1.045 1.00 43.14 C ATOM 1035 CG1 VAL A 61 3.455 -18.030 1.583 1.00 42.22 C ATOM 1036 CG2 VAL A 61 3.839 -16.489 -0.376 1.00 73.01 C ATOM 0 H VAL A 61 5.556 -14.770 0.666 1.00 32.35 H new ATOM 0 HA VAL A 61 3.163 -15.250 1.871 1.00 5.44 H new ATOM 0 HB VAL A 61 5.317 -17.165 1.007 1.00 43.14 H new ATOM 0 HG11 VAL A 61 3.543 -18.877 0.902 1.00 42.22 H new ATOM 0 HG12 VAL A 61 3.830 -18.315 2.566 1.00 42.22 H new ATOM 0 HG13 VAL A 61 2.408 -17.737 1.665 1.00 42.22 H new ATOM 0 HG21 VAL A 61 3.919 -17.366 -1.018 1.00 73.01 H new ATOM 0 HG22 VAL A 61 2.806 -16.141 -0.363 1.00 73.01 H new ATOM 0 HG23 VAL A 61 4.483 -15.698 -0.761 1.00 73.01 H new ATOM 1046 N TYR A 62 5.620 -16.273 3.800 1.00 14.20 N ATOM 1047 CA TYR A 62 5.954 -16.632 5.169 1.00 74.54 C ATOM 1048 C TYR A 62 5.237 -15.720 6.164 1.00 34.14 C ATOM 1049 O TYR A 62 4.678 -16.192 7.153 1.00 35.32 O ATOM 1050 CB TYR A 62 7.464 -16.426 5.300 1.00 44.14 C ATOM 1051 CG TYR A 62 7.887 -15.740 6.602 1.00 45.10 C ATOM 1052 CD1 TYR A 62 7.378 -16.176 7.809 1.00 62.34 C ATOM 1053 CD2 TYR A 62 8.776 -14.685 6.568 1.00 22.21 C ATOM 1054 CE1 TYR A 62 7.775 -15.531 9.032 1.00 24.35 C ATOM 1055 CE2 TYR A 62 9.173 -14.040 7.793 1.00 24.10 C ATOM 1056 CZ TYR A 62 8.653 -14.495 8.964 1.00 2.21 C ATOM 1057 OH TYR A 62 9.029 -13.885 10.121 1.00 63.13 O ATOM 0 H TYR A 62 6.414 -16.247 3.160 1.00 14.20 H new ATOM 0 HA TYR A 62 5.652 -17.657 5.384 1.00 74.54 H new ATOM 0 HB2 TYR A 62 7.960 -17.394 5.234 1.00 44.14 H new ATOM 0 HB3 TYR A 62 7.814 -15.830 4.457 1.00 44.14 H new ATOM 0 HD1 TYR A 62 6.682 -17.001 7.835 1.00 62.34 H new ATOM 0 HD2 TYR A 62 9.174 -14.343 5.624 1.00 22.21 H new ATOM 0 HE1 TYR A 62 7.384 -15.862 9.983 1.00 24.35 H new ATOM 0 HE2 TYR A 62 9.868 -13.214 7.782 1.00 24.10 H new ATOM 0 HH TYR A 62 9.660 -13.163 9.920 1.00 63.13 H new ATOM 1067 N VAL A 63 5.276 -14.428 5.871 1.00 52.24 N ATOM 1068 CA VAL A 63 4.637 -13.444 6.729 1.00 35.03 C ATOM 1069 C VAL A 63 3.127 -13.691 6.743 1.00 4.02 C ATOM 1070 O VAL A 63 2.479 -13.541 7.778 1.00 23.34 O ATOM 1071 CB VAL A 63 5.008 -12.032 6.274 1.00 11.21 C ATOM 1072 CG1 VAL A 63 4.251 -10.978 7.084 1.00 65.32 C ATOM 1073 CG2 VAL A 63 6.519 -11.808 6.360 1.00 44.31 C ATOM 0 H VAL A 63 5.741 -14.040 5.050 1.00 52.24 H new ATOM 0 HA VAL A 63 4.993 -13.543 7.755 1.00 35.03 H new ATOM 0 HB VAL A 63 4.712 -11.928 5.230 1.00 11.21 H new ATOM 0 HG11 VAL A 63 4.533 -9.983 6.740 1.00 65.32 H new ATOM 0 HG12 VAL A 63 3.178 -11.117 6.950 1.00 65.32 H new ATOM 0 HG13 VAL A 63 4.501 -11.082 8.140 1.00 65.32 H new ATOM 0 HG21 VAL A 63 6.756 -10.796 6.031 1.00 44.31 H new ATOM 0 HG22 VAL A 63 6.848 -11.941 7.390 1.00 44.31 H new ATOM 0 HG23 VAL A 63 7.030 -12.527 5.720 1.00 44.31 H new ATOM 1083 N ILE A 64 2.610 -14.064 5.581 1.00 25.51 N ATOM 1084 CA ILE A 64 1.189 -14.332 5.447 1.00 30.30 C ATOM 1085 C ILE A 64 0.845 -15.626 6.187 1.00 3.31 C ATOM 1086 O ILE A 64 -0.265 -15.781 6.693 1.00 53.34 O ATOM 1087 CB ILE A 64 0.782 -14.341 3.972 1.00 74.05 C ATOM 1088 CG1 ILE A 64 1.363 -13.132 3.236 1.00 52.44 C ATOM 1089 CG2 ILE A 64 -0.737 -14.428 3.822 1.00 22.42 C ATOM 1090 CD1 ILE A 64 1.030 -11.831 3.970 1.00 35.01 C ATOM 0 H ILE A 64 3.150 -14.187 4.724 1.00 25.51 H new ATOM 0 HA ILE A 64 0.607 -13.535 5.910 1.00 30.30 H new ATOM 0 HB ILE A 64 1.202 -15.233 3.508 1.00 74.05 H new ATOM 0 HG12 ILE A 64 2.444 -13.239 3.151 1.00 52.44 H new ATOM 0 HG13 ILE A 64 0.965 -13.094 2.222 1.00 52.44 H new ATOM 0 HG21 ILE A 64 -0.998 -14.433 2.764 1.00 22.42 H new ATOM 0 HG22 ILE A 64 -1.097 -15.345 4.289 1.00 22.42 H new ATOM 0 HG23 ILE A 64 -1.200 -13.568 4.306 1.00 22.42 H new ATOM 0 HD11 ILE A 64 1.455 -10.987 3.426 1.00 35.01 H new ATOM 0 HD12 ILE A 64 -0.052 -11.715 4.032 1.00 35.01 H new ATOM 0 HD13 ILE A 64 1.450 -11.863 4.975 1.00 35.01 H new ATOM 1102 N ARG A 65 1.820 -16.523 6.228 1.00 63.25 N ATOM 1103 CA ARG A 65 1.635 -17.799 6.898 1.00 61.31 C ATOM 1104 C ARG A 65 1.788 -17.630 8.411 1.00 12.01 C ATOM 1105 O ARG A 65 1.609 -18.584 9.166 1.00 41.52 O ATOM 1106 CB ARG A 65 2.648 -18.832 6.402 1.00 31.34 C ATOM 1107 CG ARG A 65 2.069 -20.247 6.479 1.00 61.42 C ATOM 1108 CD ARG A 65 1.420 -20.647 5.153 1.00 12.15 C ATOM 1109 NE ARG A 65 2.370 -20.430 4.039 1.00 42.22 N ATOM 1110 CZ ARG A 65 3.248 -21.359 3.603 1.00 13.14 C ATOM 1111 NH1 ARG A 65 3.305 -22.576 4.186 1.00 33.44 N ATOM 1112 NH2 ARG A 65 4.051 -21.058 2.599 1.00 34.13 N ATOM 0 H ARG A 65 2.740 -16.391 5.808 1.00 63.25 H new ATOM 0 HA ARG A 65 0.630 -18.153 6.668 1.00 61.31 H new ATOM 0 HB2 ARG A 65 2.930 -18.606 5.374 1.00 31.34 H new ATOM 0 HB3 ARG A 65 3.556 -18.773 7.002 1.00 31.34 H new ATOM 0 HG2 ARG A 65 2.860 -20.954 6.729 1.00 61.42 H new ATOM 0 HG3 ARG A 65 1.331 -20.299 7.279 1.00 61.42 H new ATOM 0 HD2 ARG A 65 1.120 -21.694 5.187 1.00 12.15 H new ATOM 0 HD3 ARG A 65 0.515 -20.061 4.990 1.00 12.15 H new ATOM 0 HE ARG A 65 2.361 -19.523 3.572 1.00 42.22 H new ATOM 0 HH11 ARG A 65 2.682 -22.799 4.962 1.00 33.44 H new ATOM 0 HH12 ARG A 65 3.971 -23.272 3.850 1.00 33.44 H new ATOM 0 HH21 ARG A 65 4.002 -20.136 2.166 1.00 34.13 H new ATOM 0 HH22 ARG A 65 4.720 -21.748 2.257 1.00 34.13 H new ATOM 1126 N LYS A 66 2.116 -16.410 8.809 1.00 55.44 N ATOM 1127 CA LYS A 66 2.294 -16.105 10.218 1.00 1.33 C ATOM 1128 C LYS A 66 0.998 -15.511 10.775 1.00 70.51 C ATOM 1129 O LYS A 66 0.583 -15.850 11.881 1.00 24.42 O ATOM 1130 CB LYS A 66 3.517 -15.208 10.421 1.00 12.24 C ATOM 1131 CG LYS A 66 4.743 -16.035 10.815 1.00 14.13 C ATOM 1132 CD LYS A 66 5.619 -15.277 11.815 1.00 31.51 C ATOM 1133 CE LYS A 66 5.906 -13.858 11.326 1.00 71.45 C ATOM 1134 NZ LYS A 66 6.970 -13.232 12.143 1.00 62.23 N ATOM 0 H LYS A 66 2.263 -15.621 8.180 1.00 55.44 H new ATOM 0 HA LYS A 66 2.497 -17.015 10.782 1.00 1.33 H new ATOM 0 HB2 LYS A 66 3.725 -14.657 9.504 1.00 12.24 H new ATOM 0 HB3 LYS A 66 3.307 -14.470 11.195 1.00 12.24 H new ATOM 0 HG2 LYS A 66 4.423 -16.981 11.251 1.00 14.13 H new ATOM 0 HG3 LYS A 66 5.325 -16.275 9.925 1.00 14.13 H new ATOM 0 HD2 LYS A 66 5.121 -15.238 12.784 1.00 31.51 H new ATOM 0 HD3 LYS A 66 6.557 -15.812 11.961 1.00 31.51 H new ATOM 0 HE2 LYS A 66 6.210 -13.882 10.280 1.00 71.45 H new ATOM 0 HE3 LYS A 66 4.998 -13.258 11.380 1.00 71.45 H new ATOM 0 HZ1 LYS A 66 6.740 -12.231 12.304 1.00 62.23 H new ATOM 0 HZ2 LYS A 66 7.040 -13.723 13.057 1.00 62.23 H new ATOM 0 HZ3 LYS A 66 7.879 -13.302 11.642 1.00 62.23 H new ATOM 1148 N ARG A 67 0.396 -14.638 9.981 1.00 1.25 N ATOM 1149 CA ARG A 67 -0.844 -13.994 10.381 1.00 11.04 C ATOM 1150 C ARG A 67 -1.928 -15.043 10.633 1.00 10.11 C ATOM 1151 O ARG A 67 -2.710 -14.918 11.575 1.00 74.15 O ATOM 1152 CB ARG A 67 -1.328 -13.017 9.308 1.00 53.20 C ATOM 1153 CG ARG A 67 -0.893 -11.587 9.631 1.00 23.03 C ATOM 1154 CD ARG A 67 -2.002 -10.830 10.366 1.00 34.01 C ATOM 1155 NE ARG A 67 -1.846 -10.999 11.828 1.00 70.52 N ATOM 1156 CZ ARG A 67 -1.028 -10.244 12.594 1.00 73.13 C ATOM 1157 NH1 ARG A 67 -0.284 -9.262 12.041 1.00 21.20 N ATOM 1158 NH2 ARG A 67 -0.966 -10.482 13.891 1.00 2.44 N ATOM 0 H ARG A 67 0.744 -14.361 9.063 1.00 1.25 H new ATOM 0 HA ARG A 67 -0.649 -13.440 11.299 1.00 11.04 H new ATOM 0 HB2 ARG A 67 -0.930 -13.311 8.337 1.00 53.20 H new ATOM 0 HB3 ARG A 67 -2.415 -13.062 9.234 1.00 53.20 H new ATOM 0 HG2 ARG A 67 0.007 -11.607 10.245 1.00 23.03 H new ATOM 0 HG3 ARG A 67 -0.639 -11.063 8.709 1.00 23.03 H new ATOM 0 HD2 ARG A 67 -1.964 -9.772 10.108 1.00 34.01 H new ATOM 0 HD3 ARG A 67 -2.977 -11.200 10.051 1.00 34.01 H new ATOM 0 HE ARG A 67 -2.390 -11.731 12.286 1.00 70.52 H new ATOM 0 HH11 ARG A 67 -0.337 -9.085 11.038 1.00 21.20 H new ATOM 0 HH12 ARG A 67 0.331 -8.697 12.627 1.00 21.20 H new ATOM 0 HH21 ARG A 67 -1.530 -11.226 14.300 1.00 2.44 H new ATOM 0 HH22 ARG A 67 -0.354 -9.921 14.484 1.00 2.44 H new ATOM 1172 N ILE A 68 -1.940 -16.054 9.777 1.00 74.21 N ATOM 1173 CA ILE A 68 -2.916 -17.124 9.895 1.00 51.02 C ATOM 1174 C ILE A 68 -2.234 -18.370 10.464 1.00 1.12 C ATOM 1175 O ILE A 68 -2.850 -19.430 10.559 1.00 65.40 O ATOM 1176 CB ILE A 68 -3.615 -17.363 8.556 1.00 43.40 C ATOM 1177 CG1 ILE A 68 -2.651 -17.141 7.387 1.00 54.02 C ATOM 1178 CG2 ILE A 68 -4.874 -16.502 8.432 1.00 43.10 C ATOM 1179 CD1 ILE A 68 -3.312 -17.503 6.056 1.00 64.50 C ATOM 0 H ILE A 68 -1.289 -16.155 8.998 1.00 74.21 H new ATOM 0 HA ILE A 68 -3.705 -16.844 10.594 1.00 51.02 H new ATOM 0 HB ILE A 68 -3.933 -18.405 8.518 1.00 43.40 H new ATOM 0 HG12 ILE A 68 -2.332 -16.099 7.367 1.00 54.02 H new ATOM 0 HG13 ILE A 68 -1.756 -17.746 7.529 1.00 54.02 H new ATOM 0 HG21 ILE A 68 -5.351 -16.692 7.471 1.00 43.10 H new ATOM 0 HG22 ILE A 68 -5.566 -16.752 9.236 1.00 43.10 H new ATOM 0 HG23 ILE A 68 -4.603 -15.449 8.501 1.00 43.10 H new ATOM 0 HD11 ILE A 68 -2.606 -17.336 5.242 1.00 64.50 H new ATOM 0 HD12 ILE A 68 -3.608 -18.552 6.070 1.00 64.50 H new ATOM 0 HD13 ILE A 68 -4.193 -16.879 5.906 1.00 64.50 H new ATOM 1191 N MET A 69 -0.971 -18.200 10.826 1.00 12.12 N ATOM 1192 CA MET A 69 -0.199 -19.298 11.384 1.00 64.34 C ATOM 1193 C MET A 69 -0.547 -20.618 10.694 1.00 52.33 C ATOM 1194 O MET A 69 -0.614 -21.662 11.341 1.00 32.01 O ATOM 1195 CB MET A 69 -0.484 -19.415 12.882 1.00 12.53 C ATOM 1196 CG MET A 69 -1.952 -19.758 13.136 1.00 10.21 C ATOM 1197 SD MET A 69 -2.193 -20.176 14.854 1.00 12.40 S ATOM 1198 CE MET A 69 -3.625 -19.175 15.218 1.00 45.12 C ATOM 0 H MET A 69 -0.463 -17.319 10.744 1.00 12.12 H new ATOM 0 HA MET A 69 0.859 -19.092 11.222 1.00 64.34 H new ATOM 0 HB2 MET A 69 0.153 -20.184 13.318 1.00 12.53 H new ATOM 0 HB3 MET A 69 -0.235 -18.476 13.377 1.00 12.53 H new ATOM 0 HG2 MET A 69 -2.584 -18.911 12.867 1.00 10.21 H new ATOM 0 HG3 MET A 69 -2.253 -20.594 12.504 1.00 10.21 H new ATOM 0 HE1 MET A 69 -3.913 -19.317 16.260 1.00 45.12 H new ATOM 0 HE2 MET A 69 -3.388 -18.125 15.047 1.00 45.12 H new ATOM 0 HE3 MET A 69 -4.450 -19.471 14.570 1.00 45.12 H new ATOM 1208 N LEU A 70 -0.756 -20.530 9.388 1.00 62.43 N ATOM 1209 CA LEU A 70 -1.095 -21.705 8.604 1.00 10.14 C ATOM 1210 C LEU A 70 -0.088 -22.819 8.901 1.00 2.25 C ATOM 1211 O LEU A 70 1.107 -22.561 9.033 1.00 31.43 O ATOM 1212 CB LEU A 70 -1.196 -21.347 7.120 1.00 61.22 C ATOM 1213 CG LEU A 70 -2.303 -22.054 6.333 1.00 11.33 C ATOM 1214 CD1 LEU A 70 -3.635 -21.990 7.083 1.00 30.12 C ATOM 1215 CD2 LEU A 70 -2.414 -21.489 4.917 1.00 2.24 C ATOM 0 H LEU A 70 -0.697 -19.663 8.854 1.00 62.43 H new ATOM 0 HA LEU A 70 -2.079 -22.081 8.886 1.00 10.14 H new ATOM 0 HB2 LEU A 70 -1.348 -20.271 7.036 1.00 61.22 H new ATOM 0 HB3 LEU A 70 -0.240 -21.572 6.646 1.00 61.22 H new ATOM 0 HG LEU A 70 -2.037 -23.107 6.239 1.00 11.33 H new ATOM 0 HD11 LEU A 70 -4.404 -22.499 6.503 1.00 30.12 H new ATOM 0 HD12 LEU A 70 -3.530 -22.477 8.053 1.00 30.12 H new ATOM 0 HD13 LEU A 70 -3.921 -20.948 7.229 1.00 30.12 H new ATOM 0 HD21 LEU A 70 -3.207 -22.008 4.379 1.00 2.24 H new ATOM 0 HD22 LEU A 70 -2.646 -20.425 4.967 1.00 2.24 H new ATOM 0 HD23 LEU A 70 -1.468 -21.630 4.394 1.00 2.24 H new ATOM 1227 N PRO A 71 -0.623 -24.065 8.998 1.00 43.24 N ATOM 1228 CA PRO A 71 0.215 -25.220 9.277 1.00 13.55 C ATOM 1229 C PRO A 71 1.019 -25.623 8.040 1.00 75.31 C ATOM 1230 O PRO A 71 0.730 -25.174 6.933 1.00 21.12 O ATOM 1231 CB PRO A 71 -0.747 -26.301 9.739 1.00 61.24 C ATOM 1232 CG PRO A 71 -2.124 -25.867 9.262 1.00 24.13 C ATOM 1233 CD PRO A 71 -2.033 -24.408 8.846 1.00 33.31 C ATOM 0 HA PRO A 71 0.966 -25.022 10.042 1.00 13.55 H new ATOM 0 HB2 PRO A 71 -0.476 -27.270 9.320 1.00 61.24 H new ATOM 0 HB3 PRO A 71 -0.725 -26.406 10.824 1.00 61.24 H new ATOM 0 HG2 PRO A 71 -2.450 -26.483 8.424 1.00 24.13 H new ATOM 0 HG3 PRO A 71 -2.860 -25.993 10.056 1.00 24.13 H new ATOM 0 HD2 PRO A 71 -2.366 -24.268 7.817 1.00 33.31 H new ATOM 0 HD3 PRO A 71 -2.663 -23.778 9.473 1.00 33.31 H new ATOM 1241 N PRO A 72 2.040 -26.490 8.277 1.00 11.43 N ATOM 1242 CA PRO A 72 2.890 -26.960 7.195 1.00 73.31 C ATOM 1243 C PRO A 72 2.161 -27.999 6.338 1.00 14.34 C ATOM 1244 O PRO A 72 2.726 -28.523 5.379 1.00 14.13 O ATOM 1245 CB PRO A 72 4.127 -27.519 7.879 1.00 1.11 C ATOM 1246 CG PRO A 72 3.727 -27.766 9.326 1.00 12.50 C ATOM 1247 CD PRO A 72 2.413 -27.044 9.576 1.00 2.00 C ATOM 0 HA PRO A 72 3.161 -26.167 6.499 1.00 73.31 H new ATOM 0 HB2 PRO A 72 4.454 -28.442 7.401 1.00 1.11 H new ATOM 0 HB3 PRO A 72 4.958 -26.817 7.818 1.00 1.11 H new ATOM 0 HG2 PRO A 72 3.618 -28.834 9.515 1.00 12.50 H new ATOM 0 HG3 PRO A 72 4.499 -27.400 10.003 1.00 12.50 H new ATOM 0 HD2 PRO A 72 1.650 -27.728 9.948 1.00 2.00 H new ATOM 0 HD3 PRO A 72 2.529 -26.259 10.323 1.00 2.00 H new ATOM 1255 N GLU A 73 0.918 -28.263 6.715 1.00 4.32 N ATOM 1256 CA GLU A 73 0.108 -29.228 5.992 1.00 33.04 C ATOM 1257 C GLU A 73 -0.818 -28.511 5.008 1.00 15.04 C ATOM 1258 O GLU A 73 -1.566 -29.156 4.273 1.00 75.11 O ATOM 1259 CB GLU A 73 -0.691 -30.105 6.959 1.00 51.24 C ATOM 1260 CG GLU A 73 -1.978 -29.403 7.398 1.00 33.54 C ATOM 1261 CD GLU A 73 -2.726 -30.234 8.444 1.00 53.33 C ATOM 1262 OE1 GLU A 73 -2.329 -30.252 9.619 1.00 25.23 O ATOM 1263 OE2 GLU A 73 -3.752 -30.876 7.999 1.00 11.00 O ATOM 0 H GLU A 73 0.453 -27.826 7.511 1.00 4.32 H new ATOM 0 HA GLU A 73 0.772 -29.881 5.425 1.00 33.04 H new ATOM 0 HB2 GLU A 73 -0.935 -31.053 6.479 1.00 51.24 H new ATOM 0 HB3 GLU A 73 -0.082 -30.337 7.833 1.00 51.24 H new ATOM 0 HG2 GLU A 73 -1.739 -28.422 7.810 1.00 33.54 H new ATOM 0 HG3 GLU A 73 -2.620 -29.238 6.533 1.00 33.54 H new ATOM 1271 N LYS A 74 -0.739 -27.189 5.025 1.00 15.22 N ATOM 1272 CA LYS A 74 -1.562 -26.378 4.143 1.00 74.24 C ATOM 1273 C LYS A 74 -0.667 -25.688 3.110 1.00 4.24 C ATOM 1274 O LYS A 74 0.551 -25.850 3.133 1.00 22.52 O ATOM 1275 CB LYS A 74 -2.424 -25.410 4.955 1.00 43.43 C ATOM 1276 CG LYS A 74 -3.741 -26.069 5.375 1.00 13.23 C ATOM 1277 CD LYS A 74 -4.910 -25.534 4.546 1.00 31.31 C ATOM 1278 CE LYS A 74 -6.030 -26.573 4.446 1.00 43.12 C ATOM 1279 NZ LYS A 74 -7.012 -26.382 5.537 1.00 72.20 N ATOM 0 H LYS A 74 -0.118 -26.659 5.636 1.00 15.22 H new ATOM 0 HA LYS A 74 -2.262 -27.005 3.591 1.00 74.24 H new ATOM 0 HB2 LYS A 74 -1.877 -25.085 5.840 1.00 43.43 H new ATOM 0 HB3 LYS A 74 -2.632 -24.518 4.364 1.00 43.43 H new ATOM 0 HG2 LYS A 74 -3.667 -27.149 5.251 1.00 13.23 H new ATOM 0 HG3 LYS A 74 -3.925 -25.881 6.433 1.00 13.23 H new ATOM 0 HD2 LYS A 74 -5.295 -24.621 5.000 1.00 31.31 H new ATOM 0 HD3 LYS A 74 -4.562 -25.271 3.547 1.00 31.31 H new ATOM 0 HE2 LYS A 74 -6.529 -26.487 3.481 1.00 43.12 H new ATOM 0 HE3 LYS A 74 -5.609 -27.577 4.499 1.00 43.12 H new ATOM 0 HZ1 LYS A 74 -7.765 -27.095 5.455 1.00 72.20 H new ATOM 0 HZ2 LYS A 74 -6.535 -26.486 6.455 1.00 72.20 H new ATOM 0 HZ3 LYS A 74 -7.427 -25.431 5.468 1.00 72.20 H new ATOM 1293 N ALA A 75 -1.309 -24.934 2.231 1.00 2.43 N ATOM 1294 CA ALA A 75 -0.586 -24.218 1.192 1.00 13.52 C ATOM 1295 C ALA A 75 -1.171 -22.812 1.047 1.00 54.01 C ATOM 1296 O ALA A 75 -2.348 -22.592 1.331 1.00 43.42 O ATOM 1297 CB ALA A 75 -0.646 -25.014 -0.113 1.00 3.35 C ATOM 0 H ALA A 75 -2.320 -24.803 2.216 1.00 2.43 H new ATOM 0 HA ALA A 75 0.465 -24.111 1.459 1.00 13.52 H new ATOM 0 HB1 ALA A 75 -0.104 -24.477 -0.892 1.00 3.35 H new ATOM 0 HB2 ALA A 75 -0.191 -25.993 0.037 1.00 3.35 H new ATOM 0 HB3 ALA A 75 -1.686 -25.140 -0.415 1.00 3.35 H new ATOM 1303 N ILE A 76 -0.324 -21.896 0.602 1.00 45.33 N ATOM 1304 CA ILE A 76 -0.742 -20.517 0.413 1.00 65.33 C ATOM 1305 C ILE A 76 -0.008 -19.924 -0.790 1.00 4.31 C ATOM 1306 O ILE A 76 1.217 -19.818 -0.782 1.00 22.55 O ATOM 1307 CB ILE A 76 -0.553 -19.718 1.705 1.00 71.13 C ATOM 1308 CG1 ILE A 76 -1.716 -18.753 1.929 1.00 33.21 C ATOM 1309 CG2 ILE A 76 0.799 -18.999 1.710 1.00 65.54 C ATOM 1310 CD1 ILE A 76 -1.427 -17.807 3.097 1.00 43.42 C ATOM 0 H ILE A 76 0.651 -22.082 0.367 1.00 45.33 H new ATOM 0 HA ILE A 76 -1.808 -20.470 0.189 1.00 65.33 H new ATOM 0 HB ILE A 76 -0.551 -20.416 2.542 1.00 71.13 H new ATOM 0 HG12 ILE A 76 -1.892 -18.174 1.023 1.00 33.21 H new ATOM 0 HG13 ILE A 76 -2.627 -19.316 2.130 1.00 33.21 H new ATOM 0 HG21 ILE A 76 0.910 -18.438 2.638 1.00 65.54 H new ATOM 0 HG22 ILE A 76 1.601 -19.732 1.631 1.00 65.54 H new ATOM 0 HG23 ILE A 76 0.850 -18.314 0.864 1.00 65.54 H new ATOM 0 HD11 ILE A 76 -2.271 -17.131 3.235 1.00 43.42 H new ATOM 0 HD12 ILE A 76 -1.275 -18.388 4.007 1.00 43.42 H new ATOM 0 HD13 ILE A 76 -0.529 -17.228 2.882 1.00 43.42 H new ATOM 1322 N PHE A 77 -0.787 -19.557 -1.796 1.00 12.42 N ATOM 1323 CA PHE A 77 -0.226 -18.978 -3.004 1.00 62.30 C ATOM 1324 C PHE A 77 -0.662 -17.520 -3.168 1.00 33.33 C ATOM 1325 O PHE A 77 -1.822 -17.185 -2.937 1.00 33.52 O ATOM 1326 CB PHE A 77 -0.763 -19.793 -4.182 1.00 40.44 C ATOM 1327 CG PHE A 77 -0.421 -21.283 -4.115 1.00 70.23 C ATOM 1328 CD1 PHE A 77 -1.231 -22.136 -3.434 1.00 4.54 C ATOM 1329 CD2 PHE A 77 0.694 -21.753 -4.736 1.00 44.34 C ATOM 1330 CE1 PHE A 77 -0.913 -23.519 -3.371 1.00 1.33 C ATOM 1331 CE2 PHE A 77 1.011 -23.136 -4.674 1.00 41.05 C ATOM 1332 CZ PHE A 77 0.200 -23.989 -3.993 1.00 35.23 C ATOM 0 H PHE A 77 -1.803 -19.649 -1.799 1.00 12.42 H new ATOM 0 HA PHE A 77 0.863 -19.001 -2.956 1.00 62.30 H new ATOM 0 HB2 PHE A 77 -1.846 -19.681 -4.224 1.00 40.44 H new ATOM 0 HB3 PHE A 77 -0.363 -19.380 -5.108 1.00 40.44 H new ATOM 0 HD1 PHE A 77 -2.116 -21.762 -2.941 1.00 4.54 H new ATOM 0 HD2 PHE A 77 1.338 -21.075 -5.276 1.00 44.34 H new ATOM 0 HE1 PHE A 77 -1.556 -24.197 -2.829 1.00 1.33 H new ATOM 0 HE2 PHE A 77 1.896 -23.510 -5.168 1.00 41.05 H new ATOM 0 HZ PHE A 77 0.441 -25.041 -3.946 1.00 35.23 H new ATOM 1342 N ILE A 78 0.294 -16.691 -3.566 1.00 3.55 N ATOM 1343 CA ILE A 78 0.024 -15.277 -3.764 1.00 70.04 C ATOM 1344 C ILE A 78 -0.515 -15.059 -5.178 1.00 63.43 C ATOM 1345 O ILE A 78 -0.294 -15.881 -6.065 1.00 62.34 O ATOM 1346 CB ILE A 78 1.266 -14.445 -3.442 1.00 15.11 C ATOM 1347 CG1 ILE A 78 1.830 -14.808 -2.068 1.00 31.40 C ATOM 1348 CG2 ILE A 78 0.970 -12.948 -3.563 1.00 23.31 C ATOM 1349 CD1 ILE A 78 1.128 -14.016 -0.962 1.00 44.32 C ATOM 0 H ILE A 78 1.256 -16.972 -3.756 1.00 3.55 H new ATOM 0 HA ILE A 78 -0.747 -14.935 -3.074 1.00 70.04 H new ATOM 0 HB ILE A 78 2.035 -14.682 -4.177 1.00 15.11 H new ATOM 0 HG12 ILE A 78 1.706 -15.876 -1.890 1.00 31.40 H new ATOM 0 HG13 ILE A 78 2.900 -14.603 -2.044 1.00 31.40 H new ATOM 0 HG21 ILE A 78 1.870 -12.379 -3.329 1.00 23.31 H new ATOM 0 HG22 ILE A 78 0.652 -12.721 -4.581 1.00 23.31 H new ATOM 0 HG23 ILE A 78 0.177 -12.676 -2.866 1.00 23.31 H new ATOM 0 HD11 ILE A 78 1.547 -14.292 0.005 1.00 44.32 H new ATOM 0 HD12 ILE A 78 1.274 -12.949 -1.130 1.00 44.32 H new ATOM 0 HD13 ILE A 78 0.062 -14.242 -0.973 1.00 44.32 H new ATOM 1361 N PHE A 79 -1.211 -13.943 -5.346 1.00 54.23 N ATOM 1362 CA PHE A 79 -1.784 -13.606 -6.638 1.00 2.04 C ATOM 1363 C PHE A 79 -1.879 -12.089 -6.817 1.00 53.42 C ATOM 1364 O PHE A 79 -2.330 -11.382 -5.917 1.00 2.01 O ATOM 1365 CB PHE A 79 -3.193 -14.201 -6.673 1.00 31.10 C ATOM 1366 CG PHE A 79 -3.258 -15.615 -7.251 1.00 60.10 C ATOM 1367 CD1 PHE A 79 -3.154 -15.807 -8.593 1.00 2.43 C ATOM 1368 CD2 PHE A 79 -3.419 -16.682 -6.421 1.00 30.00 C ATOM 1369 CE1 PHE A 79 -3.212 -17.121 -9.129 1.00 63.12 C ATOM 1370 CE2 PHE A 79 -3.478 -17.996 -6.958 1.00 1.54 C ATOM 1371 CZ PHE A 79 -3.374 -18.187 -8.300 1.00 62.01 C ATOM 0 H PHE A 79 -1.391 -13.261 -4.609 1.00 54.23 H new ATOM 0 HA PHE A 79 -1.156 -14.001 -7.437 1.00 2.04 H new ATOM 0 HB2 PHE A 79 -3.595 -14.215 -5.660 1.00 31.10 H new ATOM 0 HB3 PHE A 79 -3.837 -13.549 -7.263 1.00 31.10 H new ATOM 0 HD1 PHE A 79 -3.027 -14.960 -9.251 1.00 2.43 H new ATOM 0 HD2 PHE A 79 -3.502 -16.530 -5.355 1.00 30.00 H new ATOM 0 HE1 PHE A 79 -3.127 -17.274 -10.195 1.00 63.12 H new ATOM 0 HE2 PHE A 79 -3.605 -18.843 -6.300 1.00 1.54 H new ATOM 0 HZ PHE A 79 -3.420 -19.186 -8.708 1.00 62.01 H new ATOM 1381 N VAL A 80 -1.447 -11.633 -7.983 1.00 21.44 N ATOM 1382 CA VAL A 80 -1.477 -10.214 -8.290 1.00 62.12 C ATOM 1383 C VAL A 80 -1.994 -10.016 -9.717 1.00 53.14 C ATOM 1384 O VAL A 80 -1.299 -10.327 -10.682 1.00 72.31 O ATOM 1385 CB VAL A 80 -0.093 -9.600 -8.067 1.00 75.21 C ATOM 1386 CG1 VAL A 80 -0.191 -8.087 -7.866 1.00 74.51 C ATOM 1387 CG2 VAL A 80 0.617 -10.265 -6.886 1.00 72.24 C ATOM 0 H VAL A 80 -1.074 -12.222 -8.727 1.00 21.44 H new ATOM 0 HA VAL A 80 -2.161 -9.694 -7.620 1.00 62.12 H new ATOM 0 HB VAL A 80 0.503 -9.781 -8.962 1.00 75.21 H new ATOM 0 HG11 VAL A 80 0.806 -7.675 -7.710 1.00 74.51 H new ATOM 0 HG12 VAL A 80 -0.637 -7.631 -8.750 1.00 74.51 H new ATOM 0 HG13 VAL A 80 -0.812 -7.875 -6.995 1.00 74.51 H new ATOM 0 HG21 VAL A 80 1.598 -9.811 -6.749 1.00 72.24 H new ATOM 0 HG22 VAL A 80 0.024 -10.129 -5.982 1.00 72.24 H new ATOM 0 HG23 VAL A 80 0.735 -11.330 -7.085 1.00 72.24 H new ATOM 1397 N ASN A 81 -3.211 -9.501 -9.804 1.00 42.00 N ATOM 1398 CA ASN A 81 -3.831 -9.258 -11.097 1.00 42.34 C ATOM 1399 C ASN A 81 -4.226 -10.595 -11.726 1.00 23.52 C ATOM 1400 O ASN A 81 -4.381 -10.690 -12.942 1.00 11.11 O ATOM 1401 CB ASN A 81 -2.861 -8.555 -12.048 1.00 33.42 C ATOM 1402 CG ASN A 81 -2.020 -7.515 -11.305 1.00 32.13 C ATOM 1403 OD1 ASN A 81 -2.473 -6.429 -10.982 1.00 74.42 O ATOM 1404 ND2 ASN A 81 -0.776 -7.906 -11.052 1.00 23.44 N ATOM 0 H ASN A 81 -3.785 -9.245 -9.001 1.00 42.00 H new ATOM 0 HA ASN A 81 -4.704 -8.625 -10.940 1.00 42.34 H new ATOM 0 HB2 ASN A 81 -2.206 -9.291 -12.515 1.00 33.42 H new ATOM 0 HB3 ASN A 81 -3.419 -8.071 -12.850 1.00 33.42 H new ATOM 0 HD21 ASN A 81 -0.136 -7.283 -10.559 1.00 23.44 H new ATOM 0 HD22 ASN A 81 -0.461 -8.829 -11.350 1.00 23.44 H new ATOM 1411 N ASP A 82 -4.378 -11.595 -10.870 1.00 73.32 N ATOM 1412 CA ASP A 82 -4.753 -12.922 -11.328 1.00 23.32 C ATOM 1413 C ASP A 82 -3.519 -13.628 -11.895 1.00 11.03 C ATOM 1414 O ASP A 82 -3.643 -14.574 -12.670 1.00 50.53 O ATOM 1415 CB ASP A 82 -5.804 -12.846 -12.436 1.00 70.50 C ATOM 1416 CG ASP A 82 -6.897 -11.796 -12.220 1.00 21.54 C ATOM 1417 OD1 ASP A 82 -6.759 -10.637 -12.638 1.00 75.13 O ATOM 1418 OD2 ASP A 82 -7.938 -12.215 -11.584 1.00 63.05 O ATOM 0 H ASP A 82 -4.248 -11.513 -9.862 1.00 73.32 H new ATOM 0 HA ASP A 82 -5.163 -13.468 -10.479 1.00 23.32 H new ATOM 0 HB2 ASP A 82 -5.301 -12.636 -13.380 1.00 70.50 H new ATOM 0 HB3 ASP A 82 -6.275 -13.824 -12.537 1.00 70.50 H new ATOM 1424 N THR A 83 -2.358 -13.141 -11.486 1.00 42.44 N ATOM 1425 CA THR A 83 -1.103 -13.713 -11.943 1.00 61.11 C ATOM 1426 C THR A 83 -0.220 -14.087 -10.750 1.00 21.15 C ATOM 1427 O THR A 83 -0.185 -13.369 -9.751 1.00 74.25 O ATOM 1428 CB THR A 83 -0.445 -12.711 -12.894 1.00 23.31 C ATOM 1429 OG1 THR A 83 0.326 -13.523 -13.775 1.00 43.30 O ATOM 1430 CG2 THR A 83 0.593 -11.832 -12.193 1.00 30.14 C ATOM 0 H THR A 83 -2.259 -12.356 -10.842 1.00 42.44 H new ATOM 0 HA THR A 83 -1.268 -14.642 -12.489 1.00 61.11 H new ATOM 0 HB THR A 83 -1.212 -12.079 -13.342 1.00 23.31 H new ATOM 0 HG1 THR A 83 0.786 -12.953 -14.427 1.00 43.30 H new ATOM 0 HG21 THR A 83 1.029 -11.139 -12.913 1.00 30.14 H new ATOM 0 HG22 THR A 83 0.112 -11.269 -11.393 1.00 30.14 H new ATOM 0 HG23 THR A 83 1.378 -12.461 -11.773 1.00 30.14 H new ATOM 1438 N LEU A 84 0.469 -15.208 -10.893 1.00 12.33 N ATOM 1439 CA LEU A 84 1.348 -15.686 -9.839 1.00 64.22 C ATOM 1440 C LEU A 84 2.789 -15.285 -10.162 1.00 22.45 C ATOM 1441 O LEU A 84 3.394 -15.821 -11.089 1.00 1.12 O ATOM 1442 CB LEU A 84 1.161 -17.190 -9.627 1.00 62.51 C ATOM 1443 CG LEU A 84 1.031 -17.651 -8.173 1.00 1.30 C ATOM 1444 CD1 LEU A 84 -0.433 -17.902 -7.808 1.00 31.45 C ATOM 1445 CD2 LEU A 84 1.907 -18.877 -7.906 1.00 5.15 C ATOM 0 H LEU A 84 0.437 -15.800 -11.723 1.00 12.33 H new ATOM 0 HA LEU A 84 1.092 -15.219 -8.888 1.00 64.22 H new ATOM 0 HB2 LEU A 84 0.269 -17.505 -10.169 1.00 62.51 H new ATOM 0 HB3 LEU A 84 2.007 -17.708 -10.078 1.00 62.51 H new ATOM 0 HG LEU A 84 1.392 -16.851 -7.527 1.00 1.30 H new ATOM 0 HD11 LEU A 84 -0.498 -18.229 -6.770 1.00 31.45 H new ATOM 0 HD12 LEU A 84 -1.003 -16.982 -7.935 1.00 31.45 H new ATOM 0 HD13 LEU A 84 -0.843 -18.675 -8.458 1.00 31.45 H new ATOM 0 HD21 LEU A 84 1.796 -19.184 -6.866 1.00 5.15 H new ATOM 0 HD22 LEU A 84 1.600 -19.693 -8.560 1.00 5.15 H new ATOM 0 HD23 LEU A 84 2.950 -18.628 -8.102 1.00 5.15 H new ATOM 1457 N PRO A 85 3.311 -14.320 -9.359 1.00 73.14 N ATOM 1458 CA PRO A 85 4.668 -13.840 -9.550 1.00 54.01 C ATOM 1459 C PRO A 85 5.687 -14.861 -9.041 1.00 31.32 C ATOM 1460 O PRO A 85 5.327 -15.808 -8.343 1.00 23.50 O ATOM 1461 CB PRO A 85 4.728 -12.518 -8.801 1.00 13.52 C ATOM 1462 CG PRO A 85 3.553 -12.533 -7.836 1.00 42.32 C ATOM 1463 CD PRO A 85 2.624 -13.661 -8.251 1.00 13.01 C ATOM 0 HA PRO A 85 4.920 -13.699 -10.601 1.00 54.01 H new ATOM 0 HB2 PRO A 85 5.672 -12.415 -8.266 1.00 13.52 H new ATOM 0 HB3 PRO A 85 4.658 -11.676 -9.489 1.00 13.52 H new ATOM 0 HG2 PRO A 85 3.901 -12.681 -6.814 1.00 42.32 H new ATOM 0 HG3 PRO A 85 3.028 -11.578 -7.859 1.00 42.32 H new ATOM 0 HD2 PRO A 85 2.448 -14.352 -7.427 1.00 13.01 H new ATOM 0 HD3 PRO A 85 1.651 -13.279 -8.560 1.00 13.01 H new ATOM 1471 N PRO A 86 6.972 -14.630 -9.422 1.00 12.01 N ATOM 1472 CA PRO A 86 8.046 -15.519 -9.011 1.00 0.14 C ATOM 1473 C PRO A 86 8.406 -15.302 -7.540 1.00 13.22 C ATOM 1474 O PRO A 86 7.714 -14.576 -6.829 1.00 70.44 O ATOM 1475 CB PRO A 86 9.196 -15.208 -9.957 1.00 21.33 C ATOM 1476 CG PRO A 86 8.889 -13.844 -10.552 1.00 1.45 C ATOM 1477 CD PRO A 86 7.435 -13.519 -10.248 1.00 12.41 C ATOM 0 HA PRO A 86 7.769 -16.571 -9.073 1.00 0.14 H new ATOM 0 HB2 PRO A 86 10.147 -15.197 -9.425 1.00 21.33 H new ATOM 0 HB3 PRO A 86 9.276 -15.965 -10.737 1.00 21.33 H new ATOM 0 HG2 PRO A 86 9.547 -13.086 -10.127 1.00 1.45 H new ATOM 0 HG3 PRO A 86 9.062 -13.849 -11.628 1.00 1.45 H new ATOM 0 HD2 PRO A 86 7.343 -12.569 -9.722 1.00 12.41 H new ATOM 0 HD3 PRO A 86 6.848 -13.434 -11.163 1.00 12.41 H new ATOM 1485 N THR A 87 9.488 -15.947 -7.128 1.00 44.33 N ATOM 1486 CA THR A 87 9.948 -15.834 -5.754 1.00 62.41 C ATOM 1487 C THR A 87 11.005 -14.736 -5.634 1.00 30.31 C ATOM 1488 O THR A 87 11.067 -14.035 -4.626 1.00 14.22 O ATOM 1489 CB THR A 87 10.447 -17.210 -5.308 1.00 10.12 C ATOM 1490 OG1 THR A 87 11.769 -17.288 -5.836 1.00 55.12 O ATOM 1491 CG2 THR A 87 9.703 -18.355 -5.998 1.00 50.43 C ATOM 0 H THR A 87 10.059 -16.549 -7.721 1.00 44.33 H new ATOM 0 HA THR A 87 9.138 -15.535 -5.089 1.00 62.41 H new ATOM 0 HB THR A 87 10.335 -17.303 -4.228 1.00 10.12 H new ATOM 0 HG1 THR A 87 12.168 -18.149 -5.592 1.00 55.12 H new ATOM 0 HG21 THR A 87 10.096 -19.309 -5.646 1.00 50.43 H new ATOM 0 HG22 THR A 87 8.640 -18.292 -5.764 1.00 50.43 H new ATOM 0 HG23 THR A 87 9.842 -18.281 -7.077 1.00 50.43 H new ATOM 1499 N ALA A 88 11.813 -14.620 -6.678 1.00 71.44 N ATOM 1500 CA ALA A 88 12.865 -13.619 -6.703 1.00 13.45 C ATOM 1501 C ALA A 88 12.286 -12.288 -7.187 1.00 44.20 C ATOM 1502 O ALA A 88 13.027 -11.336 -7.428 1.00 63.25 O ATOM 1503 CB ALA A 88 14.015 -14.109 -7.586 1.00 64.41 C ATOM 0 H ALA A 88 11.760 -15.203 -7.513 1.00 71.44 H new ATOM 0 HA ALA A 88 13.266 -13.460 -5.702 1.00 13.45 H new ATOM 0 HB1 ALA A 88 14.805 -13.358 -7.605 1.00 64.41 H new ATOM 0 HB2 ALA A 88 14.411 -15.042 -7.184 1.00 64.41 H new ATOM 0 HB3 ALA A 88 13.650 -14.277 -8.599 1.00 64.41 H new ATOM 1509 N ALA A 89 10.967 -12.264 -7.312 1.00 34.45 N ATOM 1510 CA ALA A 89 10.280 -11.066 -7.762 1.00 73.43 C ATOM 1511 C ALA A 89 10.226 -10.053 -6.617 1.00 42.11 C ATOM 1512 O ALA A 89 9.145 -9.667 -6.174 1.00 30.52 O ATOM 1513 CB ALA A 89 8.888 -11.437 -8.278 1.00 61.45 C ATOM 0 H ALA A 89 10.356 -13.055 -7.109 1.00 34.45 H new ATOM 0 HA ALA A 89 10.820 -10.602 -8.587 1.00 73.43 H new ATOM 0 HB1 ALA A 89 8.373 -10.537 -8.615 1.00 61.45 H new ATOM 0 HB2 ALA A 89 8.982 -12.135 -9.110 1.00 61.45 H new ATOM 0 HB3 ALA A 89 8.315 -11.904 -7.477 1.00 61.45 H new ATOM 1519 N LEU A 90 11.407 -9.651 -6.169 1.00 64.42 N ATOM 1520 CA LEU A 90 11.508 -8.691 -5.082 1.00 63.51 C ATOM 1521 C LEU A 90 10.220 -7.870 -5.014 1.00 52.21 C ATOM 1522 O LEU A 90 9.844 -7.214 -5.983 1.00 54.01 O ATOM 1523 CB LEU A 90 12.772 -7.843 -5.233 1.00 34.25 C ATOM 1524 CG LEU A 90 13.808 -7.979 -4.115 1.00 71.21 C ATOM 1525 CD1 LEU A 90 13.941 -9.434 -3.664 1.00 54.54 C ATOM 1526 CD2 LEU A 90 15.153 -7.386 -4.540 1.00 41.31 C ATOM 0 H LEU A 90 12.302 -9.972 -6.539 1.00 64.42 H new ATOM 0 HA LEU A 90 11.610 -9.205 -4.126 1.00 63.51 H new ATOM 0 HB2 LEU A 90 13.250 -8.103 -6.178 1.00 34.25 H new ATOM 0 HB3 LEU A 90 12.477 -6.796 -5.303 1.00 34.25 H new ATOM 0 HG LEU A 90 13.460 -7.406 -3.255 1.00 71.21 H new ATOM 0 HD11 LEU A 90 14.684 -9.502 -2.869 1.00 54.54 H new ATOM 0 HD12 LEU A 90 12.979 -9.790 -3.294 1.00 54.54 H new ATOM 0 HD13 LEU A 90 14.255 -10.049 -4.507 1.00 54.54 H new ATOM 0 HD21 LEU A 90 15.872 -7.495 -3.728 1.00 41.31 H new ATOM 0 HD22 LEU A 90 15.520 -7.911 -5.422 1.00 41.31 H new ATOM 0 HD23 LEU A 90 15.027 -6.329 -4.773 1.00 41.31 H new ATOM 1538 N MET A 91 9.579 -7.930 -3.856 1.00 32.43 N ATOM 1539 CA MET A 91 8.340 -7.199 -3.646 1.00 22.31 C ATOM 1540 C MET A 91 8.496 -5.730 -4.045 1.00 44.01 C ATOM 1541 O MET A 91 7.508 -5.043 -4.300 1.00 41.02 O ATOM 1542 CB MET A 91 7.936 -7.288 -2.174 1.00 61.30 C ATOM 1543 CG MET A 91 7.823 -8.745 -1.723 1.00 10.20 C ATOM 1544 SD MET A 91 6.376 -9.498 -2.451 1.00 71.21 S ATOM 1545 CE MET A 91 5.159 -8.245 -2.085 1.00 3.14 C ATOM 0 H MET A 91 9.894 -8.474 -3.053 1.00 32.43 H new ATOM 0 HA MET A 91 7.567 -7.646 -4.271 1.00 22.31 H new ATOM 0 HB2 MET A 91 8.672 -6.770 -1.559 1.00 61.30 H new ATOM 0 HB3 MET A 91 6.982 -6.782 -2.024 1.00 61.30 H new ATOM 0 HG2 MET A 91 8.717 -9.296 -2.017 1.00 10.20 H new ATOM 0 HG3 MET A 91 7.761 -8.794 -0.636 1.00 10.20 H new ATOM 0 HE1 MET A 91 4.159 -8.667 -2.191 1.00 3.14 H new ATOM 0 HE2 MET A 91 5.297 -7.891 -1.063 1.00 3.14 H new ATOM 0 HE3 MET A 91 5.276 -7.411 -2.777 1.00 3.14 H new ATOM 1555 N SER A 92 9.746 -5.291 -4.086 1.00 61.22 N ATOM 1556 CA SER A 92 10.045 -3.916 -4.449 1.00 10.22 C ATOM 1557 C SER A 92 9.759 -3.693 -5.935 1.00 3.55 C ATOM 1558 O SER A 92 9.119 -2.712 -6.308 1.00 30.35 O ATOM 1559 CB SER A 92 11.500 -3.566 -4.130 1.00 12.35 C ATOM 1560 OG SER A 92 11.984 -2.502 -4.947 1.00 55.11 O ATOM 0 H SER A 92 10.563 -5.863 -3.874 1.00 61.22 H new ATOM 0 HA SER A 92 9.404 -3.260 -3.860 1.00 10.22 H new ATOM 0 HB2 SER A 92 11.584 -3.284 -3.080 1.00 12.35 H new ATOM 0 HB3 SER A 92 12.125 -4.447 -4.274 1.00 12.35 H new ATOM 0 HG SER A 92 12.915 -2.307 -4.712 1.00 55.11 H new ATOM 1566 N ALA A 93 10.248 -4.622 -6.744 1.00 51.43 N ATOM 1567 CA ALA A 93 10.053 -4.539 -8.182 1.00 44.32 C ATOM 1568 C ALA A 93 8.608 -4.916 -8.519 1.00 70.44 C ATOM 1569 O ALA A 93 8.144 -4.676 -9.632 1.00 35.31 O ATOM 1570 CB ALA A 93 11.068 -5.439 -8.888 1.00 51.33 C ATOM 0 H ALA A 93 10.778 -5.435 -6.431 1.00 51.43 H new ATOM 0 HA ALA A 93 10.220 -3.521 -8.533 1.00 44.32 H new ATOM 0 HB1 ALA A 93 10.922 -5.377 -9.966 1.00 51.33 H new ATOM 0 HB2 ALA A 93 12.078 -5.113 -8.640 1.00 51.33 H new ATOM 0 HB3 ALA A 93 10.929 -6.470 -8.562 1.00 51.33 H new ATOM 1576 N ILE A 94 7.938 -5.497 -7.535 1.00 40.34 N ATOM 1577 CA ILE A 94 6.555 -5.910 -7.715 1.00 0.42 C ATOM 1578 C ILE A 94 5.638 -4.706 -7.497 1.00 61.53 C ATOM 1579 O ILE A 94 4.708 -4.482 -8.271 1.00 44.40 O ATOM 1580 CB ILE A 94 6.231 -7.101 -6.811 1.00 24.11 C ATOM 1581 CG1 ILE A 94 7.130 -8.296 -7.134 1.00 53.44 C ATOM 1582 CG2 ILE A 94 4.746 -7.463 -6.892 1.00 24.34 C ATOM 1583 CD1 ILE A 94 6.739 -8.931 -8.470 1.00 10.40 C ATOM 0 H ILE A 94 8.325 -5.692 -6.612 1.00 40.34 H new ATOM 0 HA ILE A 94 6.389 -6.258 -8.734 1.00 0.42 H new ATOM 0 HB ILE A 94 6.437 -6.813 -5.780 1.00 24.11 H new ATOM 0 HG12 ILE A 94 8.170 -7.973 -7.171 1.00 53.44 H new ATOM 0 HG13 ILE A 94 7.055 -9.038 -6.339 1.00 53.44 H new ATOM 0 HG21 ILE A 94 4.543 -8.313 -6.240 1.00 24.34 H new ATOM 0 HG22 ILE A 94 4.146 -6.610 -6.575 1.00 24.34 H new ATOM 0 HG23 ILE A 94 4.491 -7.724 -7.919 1.00 24.34 H new ATOM 0 HD11 ILE A 94 7.394 -9.778 -8.676 1.00 10.40 H new ATOM 0 HD12 ILE A 94 5.706 -9.274 -8.421 1.00 10.40 H new ATOM 0 HD13 ILE A 94 6.839 -8.194 -9.266 1.00 10.40 H new ATOM 1595 N TYR A 95 5.930 -3.962 -6.442 1.00 51.15 N ATOM 1596 CA TYR A 95 5.141 -2.785 -6.113 1.00 20.24 C ATOM 1597 C TYR A 95 5.426 -1.645 -7.092 1.00 42.21 C ATOM 1598 O TYR A 95 4.777 -0.600 -7.039 1.00 45.41 O ATOM 1599 CB TYR A 95 5.582 -2.360 -4.711 1.00 42.53 C ATOM 1600 CG TYR A 95 5.081 -0.977 -4.294 1.00 20.22 C ATOM 1601 CD1 TYR A 95 5.665 0.157 -4.824 1.00 42.40 C ATOM 1602 CD2 TYR A 95 4.046 -0.860 -3.389 1.00 32.12 C ATOM 1603 CE1 TYR A 95 5.193 1.460 -4.431 1.00 23.54 C ATOM 1604 CE2 TYR A 95 3.574 0.443 -2.997 1.00 52.14 C ATOM 1605 CZ TYR A 95 4.171 1.538 -3.538 1.00 24.44 C ATOM 1606 OH TYR A 95 3.726 2.769 -3.167 1.00 51.50 O ATOM 0 H TYR A 95 6.702 -4.150 -5.803 1.00 51.15 H new ATOM 0 HA TYR A 95 4.076 -3.009 -6.166 1.00 20.24 H new ATOM 0 HB2 TYR A 95 5.226 -3.096 -3.991 1.00 42.53 H new ATOM 0 HB3 TYR A 95 6.671 -2.370 -4.665 1.00 42.53 H new ATOM 0 HD1 TYR A 95 6.475 0.067 -5.533 1.00 42.40 H new ATOM 0 HD2 TYR A 95 3.589 -1.746 -2.974 1.00 32.12 H new ATOM 0 HE1 TYR A 95 5.641 2.355 -4.837 1.00 23.54 H new ATOM 0 HE2 TYR A 95 2.765 0.548 -2.290 1.00 52.14 H new ATOM 0 HH TYR A 95 2.795 2.704 -2.869 1.00 51.50 H new ATOM 1616 N GLN A 96 6.395 -1.882 -7.962 1.00 41.34 N ATOM 1617 CA GLN A 96 6.773 -0.887 -8.952 1.00 40.14 C ATOM 1618 C GLN A 96 6.146 -1.222 -10.306 1.00 73.33 C ATOM 1619 O GLN A 96 6.185 -0.409 -11.230 1.00 35.05 O ATOM 1620 CB GLN A 96 8.295 -0.776 -9.065 1.00 62.44 C ATOM 1621 CG GLN A 96 8.705 -0.223 -10.430 1.00 73.05 C ATOM 1622 CD GLN A 96 8.167 1.196 -10.631 1.00 52.22 C ATOM 1623 OE1 GLN A 96 7.541 1.516 -11.627 1.00 22.34 O ATOM 1624 NE2 GLN A 96 8.446 2.026 -9.630 1.00 34.13 N ATOM 0 H GLN A 96 6.931 -2.749 -8.003 1.00 41.34 H new ATOM 0 HA GLN A 96 6.394 0.082 -8.628 1.00 40.14 H new ATOM 0 HB2 GLN A 96 8.675 -0.126 -8.277 1.00 62.44 H new ATOM 0 HB3 GLN A 96 8.747 -1.757 -8.916 1.00 62.44 H new ATOM 0 HG2 GLN A 96 9.792 -0.219 -10.513 1.00 73.05 H new ATOM 0 HG3 GLN A 96 8.327 -0.874 -11.218 1.00 73.05 H new ATOM 0 HE21 GLN A 96 8.975 1.693 -8.824 1.00 34.13 H new ATOM 0 HE22 GLN A 96 8.131 2.995 -9.668 1.00 34.13 H new ATOM 1633 N GLU A 97 5.584 -2.418 -10.384 1.00 32.44 N ATOM 1634 CA GLU A 97 4.949 -2.870 -11.610 1.00 2.21 C ATOM 1635 C GLU A 97 3.462 -3.141 -11.370 1.00 41.50 C ATOM 1636 O GLU A 97 2.702 -3.338 -12.318 1.00 31.31 O ATOM 1637 CB GLU A 97 5.650 -4.112 -12.165 1.00 65.22 C ATOM 1638 CG GLU A 97 5.062 -5.390 -11.562 1.00 55.53 C ATOM 1639 CD GLU A 97 5.845 -6.621 -12.018 1.00 44.43 C ATOM 1640 OE1 GLU A 97 6.880 -6.955 -11.420 1.00 63.43 O ATOM 1641 OE2 GLU A 97 5.344 -7.243 -13.032 1.00 70.13 O ATOM 0 H GLU A 97 5.555 -3.090 -9.617 1.00 32.44 H new ATOM 0 HA GLU A 97 5.038 -2.079 -12.355 1.00 2.21 H new ATOM 0 HB2 GLU A 97 5.548 -4.137 -13.250 1.00 65.22 H new ATOM 0 HB3 GLU A 97 6.717 -4.060 -11.946 1.00 65.22 H new ATOM 0 HG2 GLU A 97 5.081 -5.325 -10.474 1.00 55.53 H new ATOM 0 HG3 GLU A 97 4.018 -5.489 -11.858 1.00 55.53 H new ATOM 1649 N HIS A 98 3.091 -3.142 -10.099 1.00 3.52 N ATOM 1650 CA HIS A 98 1.710 -3.386 -9.722 1.00 21.22 C ATOM 1651 C HIS A 98 1.188 -2.209 -8.895 1.00 61.24 C ATOM 1652 O HIS A 98 0.164 -2.323 -8.224 1.00 1.42 O ATOM 1653 CB HIS A 98 1.572 -4.726 -8.998 1.00 32.21 C ATOM 1654 CG HIS A 98 1.886 -5.925 -9.860 1.00 32.35 C ATOM 1655 ND1 HIS A 98 1.508 -6.012 -11.190 1.00 41.32 N ATOM 1656 CD2 HIS A 98 2.545 -7.084 -9.571 1.00 62.03 C ATOM 1657 CE1 HIS A 98 1.926 -7.175 -11.668 1.00 52.14 C ATOM 1658 NE2 HIS A 98 2.569 -7.837 -10.663 1.00 24.24 N ATOM 0 H HIS A 98 3.724 -2.977 -9.316 1.00 3.52 H new ATOM 0 HA HIS A 98 1.093 -3.458 -10.618 1.00 21.22 H new ATOM 0 HB2 HIS A 98 2.235 -4.730 -8.133 1.00 32.21 H new ATOM 0 HB3 HIS A 98 0.554 -4.820 -8.620 1.00 32.21 H new ATOM 0 HD2 HIS A 98 2.975 -7.344 -8.615 1.00 62.03 H new ATOM 0 HE1 HIS A 98 1.783 -7.536 -12.676 1.00 52.14 H new ATOM 0 HE2 HIS A 98 2.998 -8.759 -10.739 1.00 24.24 H new ATOM 1667 N LYS A 99 1.916 -1.105 -8.971 1.00 12.51 N ATOM 1668 CA LYS A 99 1.540 0.092 -8.239 1.00 13.43 C ATOM 1669 C LYS A 99 0.151 0.548 -8.692 1.00 32.40 C ATOM 1670 O LYS A 99 -0.289 0.207 -9.788 1.00 3.15 O ATOM 1671 CB LYS A 99 2.616 1.168 -8.381 1.00 4.34 C ATOM 1672 CG LYS A 99 2.755 1.617 -9.838 1.00 4.14 C ATOM 1673 CD LYS A 99 2.353 3.083 -10.000 1.00 12.25 C ATOM 1674 CE LYS A 99 2.233 3.458 -11.478 1.00 60.42 C ATOM 1675 NZ LYS A 99 1.043 4.310 -11.703 1.00 53.51 N ATOM 0 H LYS A 99 2.765 -1.014 -9.529 1.00 12.51 H new ATOM 0 HA LYS A 99 1.474 -0.121 -7.172 1.00 13.43 H new ATOM 0 HB2 LYS A 99 2.364 2.024 -7.756 1.00 4.34 H new ATOM 0 HB3 LYS A 99 3.571 0.782 -8.023 1.00 4.34 H new ATOM 0 HG2 LYS A 99 3.785 1.480 -10.168 1.00 4.14 H new ATOM 0 HG3 LYS A 99 2.130 0.992 -10.476 1.00 4.14 H new ATOM 0 HD2 LYS A 99 1.402 3.261 -9.498 1.00 12.25 H new ATOM 0 HD3 LYS A 99 3.093 3.722 -9.518 1.00 12.25 H new ATOM 0 HE2 LYS A 99 3.131 3.986 -11.799 1.00 60.42 H new ATOM 0 HE3 LYS A 99 2.160 2.555 -12.084 1.00 60.42 H new ATOM 0 HZ1 LYS A 99 0.977 4.555 -12.712 1.00 53.51 H new ATOM 0 HZ2 LYS A 99 0.187 3.794 -11.415 1.00 53.51 H new ATOM 0 HZ3 LYS A 99 1.128 5.180 -11.140 1.00 53.51 H new ATOM 1689 N ASP A 100 -0.498 1.311 -7.827 1.00 41.20 N ATOM 1690 CA ASP A 100 -1.827 1.817 -8.125 1.00 31.41 C ATOM 1691 C ASP A 100 -1.857 3.329 -7.894 1.00 24.34 C ATOM 1692 O ASP A 100 -0.908 3.897 -7.358 1.00 10.10 O ATOM 1693 CB ASP A 100 -2.877 1.179 -7.213 1.00 64.51 C ATOM 1694 CG ASP A 100 -3.868 0.252 -7.917 1.00 34.41 C ATOM 1695 OD1 ASP A 100 -4.487 0.625 -8.925 1.00 4.35 O ATOM 1696 OD2 ASP A 100 -3.998 -0.916 -7.385 1.00 2.43 O ATOM 0 H ASP A 100 -0.129 1.592 -6.919 1.00 41.20 H new ATOM 0 HA ASP A 100 -2.055 1.574 -9.163 1.00 31.41 H new ATOM 0 HB2 ASP A 100 -2.365 0.614 -6.434 1.00 64.51 H new ATOM 0 HB3 ASP A 100 -3.435 1.973 -6.716 1.00 64.51 H new ATOM 1702 N LYS A 101 -2.958 3.938 -8.311 1.00 74.24 N ATOM 1703 CA LYS A 101 -3.123 5.373 -8.156 1.00 45.13 C ATOM 1704 C LYS A 101 -2.988 5.741 -6.677 1.00 14.41 C ATOM 1705 O LYS A 101 -2.560 6.846 -6.346 1.00 44.44 O ATOM 1706 CB LYS A 101 -4.441 5.832 -8.786 1.00 61.03 C ATOM 1707 CG LYS A 101 -4.499 5.456 -10.269 1.00 1.14 C ATOM 1708 CD LYS A 101 -5.435 6.392 -11.035 1.00 13.14 C ATOM 1709 CE LYS A 101 -6.854 6.331 -10.470 1.00 51.00 C ATOM 1710 NZ LYS A 101 -7.362 4.940 -10.492 1.00 33.55 N ATOM 0 H LYS A 101 -3.744 3.464 -8.756 1.00 74.24 H new ATOM 0 HA LYS A 101 -2.337 5.907 -8.691 1.00 45.13 H new ATOM 0 HB2 LYS A 101 -5.279 5.376 -8.258 1.00 61.03 H new ATOM 0 HB3 LYS A 101 -4.544 6.912 -8.676 1.00 61.03 H new ATOM 0 HG2 LYS A 101 -3.499 5.504 -10.699 1.00 1.14 H new ATOM 0 HG3 LYS A 101 -4.842 4.427 -10.374 1.00 1.14 H new ATOM 0 HD2 LYS A 101 -5.060 7.414 -10.977 1.00 13.14 H new ATOM 0 HD3 LYS A 101 -5.448 6.116 -12.090 1.00 13.14 H new ATOM 0 HE2 LYS A 101 -6.862 6.711 -9.448 1.00 51.00 H new ATOM 0 HE3 LYS A 101 -7.512 6.974 -11.054 1.00 51.00 H new ATOM 0 HZ1 LYS A 101 -8.395 4.945 -10.368 1.00 33.55 H new ATOM 0 HZ2 LYS A 101 -7.125 4.498 -11.403 1.00 33.55 H new ATOM 0 HZ3 LYS A 101 -6.923 4.398 -9.720 1.00 33.55 H new ATOM 1724 N ASP A 102 -3.361 4.795 -5.828 1.00 24.54 N ATOM 1725 CA ASP A 102 -3.287 5.006 -4.392 1.00 44.11 C ATOM 1726 C ASP A 102 -1.859 4.728 -3.914 1.00 52.35 C ATOM 1727 O ASP A 102 -1.460 5.185 -2.844 1.00 42.15 O ATOM 1728 CB ASP A 102 -4.229 4.059 -3.647 1.00 5.45 C ATOM 1729 CG ASP A 102 -4.330 2.651 -4.237 1.00 13.43 C ATOM 1730 OD1 ASP A 102 -5.432 2.145 -4.498 1.00 41.40 O ATOM 1731 OD2 ASP A 102 -3.201 2.058 -4.433 1.00 40.41 O ATOM 0 H ASP A 102 -3.715 3.880 -6.107 1.00 24.54 H new ATOM 0 HA ASP A 102 -3.576 6.037 -4.186 1.00 44.11 H new ATOM 0 HB2 ASP A 102 -3.896 3.980 -2.612 1.00 5.45 H new ATOM 0 HB3 ASP A 102 -5.225 4.501 -3.629 1.00 5.45 H new ATOM 1737 N GLY A 103 -1.132 3.980 -4.729 1.00 12.34 N ATOM 1738 CA GLY A 103 0.241 3.635 -4.403 1.00 1.51 C ATOM 1739 C GLY A 103 0.308 2.309 -3.642 1.00 42.14 C ATOM 1740 O GLY A 103 1.205 1.501 -3.875 1.00 30.21 O ATOM 0 H GLY A 103 -1.468 3.603 -5.615 1.00 12.34 H new ATOM 0 HA2 GLY A 103 0.829 3.563 -5.318 1.00 1.51 H new ATOM 0 HA3 GLY A 103 0.685 4.427 -3.800 1.00 1.51 H new ATOM 1744 N PHE A 104 -0.653 2.125 -2.751 1.00 53.45 N ATOM 1745 CA PHE A 104 -0.716 0.911 -1.955 1.00 12.24 C ATOM 1746 C PHE A 104 -0.896 -0.320 -2.846 1.00 72.13 C ATOM 1747 O PHE A 104 -1.878 -0.421 -3.579 1.00 71.15 O ATOM 1748 CB PHE A 104 -1.930 1.041 -1.034 1.00 72.42 C ATOM 1749 CG PHE A 104 -1.618 1.679 0.321 1.00 64.25 C ATOM 1750 CD1 PHE A 104 -1.144 0.912 1.339 1.00 73.23 C ATOM 1751 CD2 PHE A 104 -1.815 3.011 0.507 1.00 30.24 C ATOM 1752 CE1 PHE A 104 -0.853 1.504 2.598 1.00 34.41 C ATOM 1753 CE2 PHE A 104 -1.525 3.604 1.765 1.00 70.41 C ATOM 1754 CZ PHE A 104 -1.050 2.837 2.784 1.00 62.30 C ATOM 0 H PHE A 104 -1.396 2.797 -2.562 1.00 53.45 H new ATOM 0 HA PHE A 104 0.209 0.787 -1.392 1.00 12.24 H new ATOM 0 HB2 PHE A 104 -2.693 1.636 -1.537 1.00 72.42 H new ATOM 0 HB3 PHE A 104 -2.355 0.051 -0.869 1.00 72.42 H new ATOM 0 HD1 PHE A 104 -0.989 -0.146 1.191 1.00 73.23 H new ATOM 0 HD2 PHE A 104 -2.192 3.619 -0.302 1.00 30.24 H new ATOM 0 HE1 PHE A 104 -0.476 0.896 3.407 1.00 34.41 H new ATOM 0 HE2 PHE A 104 -1.681 4.662 1.913 1.00 70.41 H new ATOM 0 HZ PHE A 104 -0.829 3.287 3.741 1.00 62.30 H new ATOM 1764 N LEU A 105 0.068 -1.223 -2.754 1.00 64.23 N ATOM 1765 CA LEU A 105 0.028 -2.443 -3.544 1.00 0.04 C ATOM 1766 C LEU A 105 -1.192 -3.271 -3.136 1.00 11.52 C ATOM 1767 O LEU A 105 -1.737 -3.084 -2.048 1.00 74.42 O ATOM 1768 CB LEU A 105 1.352 -3.201 -3.426 1.00 42.33 C ATOM 1769 CG LEU A 105 2.246 -3.188 -4.668 1.00 21.41 C ATOM 1770 CD1 LEU A 105 1.919 -4.365 -5.590 1.00 42.30 C ATOM 1771 CD2 LEU A 105 2.153 -1.846 -5.397 1.00 71.12 C ATOM 0 H LEU A 105 0.882 -1.135 -2.145 1.00 64.23 H new ATOM 0 HA LEU A 105 -0.086 -2.207 -4.602 1.00 0.04 H new ATOM 0 HB2 LEU A 105 1.915 -2.781 -2.593 1.00 42.33 H new ATOM 0 HB3 LEU A 105 1.133 -4.238 -3.172 1.00 42.33 H new ATOM 0 HG LEU A 105 3.280 -3.308 -4.346 1.00 21.41 H new ATOM 0 HD11 LEU A 105 2.568 -4.333 -6.465 1.00 42.30 H new ATOM 0 HD12 LEU A 105 2.077 -5.301 -5.055 1.00 42.30 H new ATOM 0 HD13 LEU A 105 0.878 -4.300 -5.908 1.00 42.30 H new ATOM 0 HD21 LEU A 105 2.798 -1.864 -6.276 1.00 71.12 H new ATOM 0 HD22 LEU A 105 1.123 -1.671 -5.707 1.00 71.12 H new ATOM 0 HD23 LEU A 105 2.472 -1.046 -4.729 1.00 71.12 H new ATOM 1783 N TYR A 106 -1.586 -4.166 -4.028 1.00 53.40 N ATOM 1784 CA TYR A 106 -2.732 -5.022 -3.775 1.00 42.31 C ATOM 1785 C TYR A 106 -2.415 -6.479 -4.115 1.00 52.24 C ATOM 1786 O TYR A 106 -2.415 -6.862 -5.284 1.00 34.34 O ATOM 1787 CB TYR A 106 -3.844 -4.524 -4.701 1.00 64.40 C ATOM 1788 CG TYR A 106 -4.550 -3.262 -4.204 1.00 62.10 C ATOM 1789 CD1 TYR A 106 -5.602 -3.365 -3.316 1.00 34.43 C ATOM 1790 CD2 TYR A 106 -4.137 -2.023 -4.644 1.00 44.43 C ATOM 1791 CE1 TYR A 106 -6.266 -2.177 -2.848 1.00 3.33 C ATOM 1792 CE2 TYR A 106 -4.802 -0.833 -4.176 1.00 41.03 C ATOM 1793 CZ TYR A 106 -5.834 -0.970 -3.300 1.00 45.15 C ATOM 1794 OH TYR A 106 -6.463 0.152 -2.858 1.00 44.34 O ATOM 0 H TYR A 106 -1.132 -4.318 -4.929 1.00 53.40 H new ATOM 0 HA TYR A 106 -3.015 -4.982 -2.723 1.00 42.31 H new ATOM 0 HB2 TYR A 106 -3.421 -4.327 -5.686 1.00 64.40 H new ATOM 0 HB3 TYR A 106 -4.582 -5.316 -4.824 1.00 64.40 H new ATOM 0 HD1 TYR A 106 -5.926 -4.336 -2.973 1.00 34.43 H new ATOM 0 HD2 TYR A 106 -3.315 -1.944 -5.340 1.00 44.43 H new ATOM 0 HE1 TYR A 106 -7.090 -2.243 -2.153 1.00 3.33 H new ATOM 0 HE2 TYR A 106 -4.489 0.144 -4.513 1.00 41.03 H new ATOM 0 HH TYR A 106 -6.160 0.924 -3.380 1.00 44.34 H new ATOM 1804 N VAL A 107 -2.149 -7.253 -3.072 1.00 22.34 N ATOM 1805 CA VAL A 107 -1.830 -8.659 -3.245 1.00 40.22 C ATOM 1806 C VAL A 107 -2.925 -9.511 -2.599 1.00 71.32 C ATOM 1807 O VAL A 107 -3.767 -8.993 -1.867 1.00 62.14 O ATOM 1808 CB VAL A 107 -0.436 -8.953 -2.687 1.00 15.44 C ATOM 1809 CG1 VAL A 107 -0.390 -8.714 -1.177 1.00 53.13 C ATOM 1810 CG2 VAL A 107 0.005 -10.378 -3.032 1.00 51.41 C ATOM 0 H VAL A 107 -2.148 -6.932 -2.104 1.00 22.34 H new ATOM 0 HA VAL A 107 -1.802 -8.915 -4.304 1.00 40.22 H new ATOM 0 HB VAL A 107 0.266 -8.264 -3.157 1.00 15.44 H new ATOM 0 HG11 VAL A 107 0.611 -8.930 -0.805 1.00 53.13 H new ATOM 0 HG12 VAL A 107 -0.639 -7.674 -0.965 1.00 53.13 H new ATOM 0 HG13 VAL A 107 -1.109 -9.367 -0.683 1.00 53.13 H new ATOM 0 HG21 VAL A 107 0.999 -10.560 -2.623 1.00 51.41 H new ATOM 0 HG22 VAL A 107 -0.700 -11.091 -2.604 1.00 51.41 H new ATOM 0 HG23 VAL A 107 0.030 -10.499 -4.115 1.00 51.41 H new ATOM 1820 N THR A 108 -2.877 -10.801 -2.891 1.00 21.14 N ATOM 1821 CA THR A 108 -3.854 -11.730 -2.346 1.00 55.41 C ATOM 1822 C THR A 108 -3.233 -13.117 -2.174 1.00 62.50 C ATOM 1823 O THR A 108 -2.390 -13.526 -2.968 1.00 11.44 O ATOM 1824 CB THR A 108 -5.077 -11.720 -3.266 1.00 74.21 C ATOM 1825 OG1 THR A 108 -5.115 -10.393 -3.781 1.00 40.54 O ATOM 1826 CG2 THR A 108 -6.390 -11.859 -2.493 1.00 22.42 C ATOM 0 H THR A 108 -2.177 -11.227 -3.498 1.00 21.14 H new ATOM 0 HA THR A 108 -4.176 -11.428 -1.349 1.00 55.41 H new ATOM 0 HB THR A 108 -4.994 -12.531 -3.990 1.00 74.21 H new ATOM 0 HG1 THR A 108 -5.878 -10.300 -4.389 1.00 40.54 H new ATOM 0 HG21 THR A 108 -7.227 -11.846 -3.192 1.00 22.42 H new ATOM 0 HG22 THR A 108 -6.391 -12.800 -1.943 1.00 22.42 H new ATOM 0 HG23 THR A 108 -6.489 -11.030 -1.793 1.00 22.42 H new ATOM 1834 N TYR A 109 -3.676 -13.801 -1.129 1.00 43.11 N ATOM 1835 CA TYR A 109 -3.174 -15.135 -0.841 1.00 32.00 C ATOM 1836 C TYR A 109 -4.325 -16.121 -0.633 1.00 31.13 C ATOM 1837 O TYR A 109 -5.208 -15.884 0.190 1.00 1.41 O ATOM 1838 CB TYR A 109 -2.379 -15.015 0.461 1.00 63.54 C ATOM 1839 CG TYR A 109 -3.250 -14.860 1.709 1.00 53.43 C ATOM 1840 CD1 TYR A 109 -3.689 -15.977 2.388 1.00 21.34 C ATOM 1841 CD2 TYR A 109 -3.596 -13.600 2.156 1.00 61.31 C ATOM 1842 CE1 TYR A 109 -4.508 -15.829 3.563 1.00 12.40 C ATOM 1843 CE2 TYR A 109 -4.416 -13.453 3.331 1.00 51.34 C ATOM 1844 CZ TYR A 109 -4.831 -14.576 3.976 1.00 12.31 C ATOM 1845 OH TYR A 109 -5.605 -14.436 5.086 1.00 35.34 O ATOM 0 H TYR A 109 -4.376 -13.457 -0.472 1.00 43.11 H new ATOM 0 HA TYR A 109 -2.568 -15.503 -1.668 1.00 32.00 H new ATOM 0 HB2 TYR A 109 -1.752 -15.900 0.575 1.00 63.54 H new ATOM 0 HB3 TYR A 109 -1.710 -14.158 0.389 1.00 63.54 H new ATOM 0 HD1 TYR A 109 -3.419 -16.963 2.039 1.00 21.34 H new ATOM 0 HD2 TYR A 109 -3.252 -12.725 1.625 1.00 61.31 H new ATOM 0 HE1 TYR A 109 -4.858 -16.696 4.104 1.00 12.40 H new ATOM 0 HE2 TYR A 109 -4.695 -12.474 3.691 1.00 51.34 H new ATOM 0 HH TYR A 109 -5.630 -15.284 5.576 1.00 35.34 H new ATOM 1855 N SER A 110 -4.279 -17.205 -1.392 1.00 65.21 N ATOM 1856 CA SER A 110 -5.308 -18.227 -1.301 1.00 13.24 C ATOM 1857 C SER A 110 -4.685 -19.561 -0.882 1.00 41.23 C ATOM 1858 O SER A 110 -3.482 -19.767 -1.047 1.00 40.25 O ATOM 1859 CB SER A 110 -6.048 -18.383 -2.631 1.00 42.53 C ATOM 1860 OG SER A 110 -6.535 -19.709 -2.819 1.00 73.50 O ATOM 0 H SER A 110 -3.545 -17.398 -2.073 1.00 65.21 H new ATOM 0 HA SER A 110 -6.032 -17.917 -0.547 1.00 13.24 H new ATOM 0 HB2 SER A 110 -6.882 -17.682 -2.666 1.00 42.53 H new ATOM 0 HB3 SER A 110 -5.379 -18.123 -3.451 1.00 42.53 H new ATOM 0 HG SER A 110 -7.252 -19.703 -3.487 1.00 73.50 H new ATOM 1866 N GLY A 111 -5.529 -20.431 -0.349 1.00 54.34 N ATOM 1867 CA GLY A 111 -5.076 -21.738 0.096 1.00 10.15 C ATOM 1868 C GLY A 111 -4.658 -22.606 -1.093 1.00 11.13 C ATOM 1869 O GLY A 111 -3.861 -23.530 -0.941 1.00 34.05 O ATOM 0 H GLY A 111 -6.525 -20.257 -0.215 1.00 54.34 H new ATOM 0 HA2 GLY A 111 -4.235 -21.622 0.780 1.00 10.15 H new ATOM 0 HA3 GLY A 111 -5.873 -22.234 0.651 1.00 10.15 H new ATOM 1873 N GLU A 112 -5.216 -22.278 -2.249 1.00 51.04 N ATOM 1874 CA GLU A 112 -4.912 -23.017 -3.463 1.00 65.25 C ATOM 1875 C GLU A 112 -4.190 -22.115 -4.466 1.00 62.14 C ATOM 1876 O GLU A 112 -3.965 -20.937 -4.197 1.00 15.24 O ATOM 1877 CB GLU A 112 -6.181 -23.612 -4.076 1.00 35.22 C ATOM 1878 CG GLU A 112 -7.400 -22.738 -3.768 1.00 43.23 C ATOM 1879 CD GLU A 112 -8.684 -23.392 -4.282 1.00 13.11 C ATOM 1880 OE1 GLU A 112 -8.756 -24.625 -4.384 1.00 1.43 O ATOM 1881 OE2 GLU A 112 -9.633 -22.569 -4.578 1.00 41.42 O ATOM 0 H GLU A 112 -5.877 -21.511 -2.371 1.00 51.04 H new ATOM 0 HA GLU A 112 -4.251 -23.844 -3.205 1.00 65.25 H new ATOM 0 HB2 GLU A 112 -6.059 -23.705 -5.155 1.00 35.22 H new ATOM 0 HB3 GLU A 112 -6.341 -24.617 -3.685 1.00 35.22 H new ATOM 0 HG2 GLU A 112 -7.475 -22.577 -2.693 1.00 43.23 H new ATOM 0 HG3 GLU A 112 -7.276 -21.758 -4.229 1.00 43.23 H new ATOM 1889 N ASN A 113 -3.845 -22.704 -5.602 1.00 71.13 N ATOM 1890 CA ASN A 113 -3.153 -21.969 -6.647 1.00 34.31 C ATOM 1891 C ASN A 113 -4.134 -21.655 -7.779 1.00 20.23 C ATOM 1892 O ASN A 113 -3.787 -21.765 -8.954 1.00 34.14 O ATOM 1893 CB ASN A 113 -2.004 -22.791 -7.231 1.00 45.03 C ATOM 1894 CG ASN A 113 -1.275 -22.013 -8.329 1.00 12.10 C ATOM 1895 OD1 ASN A 113 -1.559 -20.859 -8.601 1.00 30.35 O ATOM 1896 ND2 ASN A 113 -0.319 -22.706 -8.940 1.00 31.33 N ATOM 0 H ASN A 113 -4.032 -23.682 -5.821 1.00 71.13 H new ATOM 0 HA ASN A 113 -2.754 -21.054 -6.208 1.00 34.31 H new ATOM 0 HB2 ASN A 113 -1.302 -23.054 -6.440 1.00 45.03 H new ATOM 0 HB3 ASN A 113 -2.391 -23.725 -7.638 1.00 45.03 H new ATOM 0 HD21 ASN A 113 0.227 -22.274 -9.685 1.00 31.33 H new ATOM 0 HD22 ASN A 113 -0.132 -23.670 -8.664 1.00 31.33 H new ATOM 2441 N ILE B 629 4.817 -7.463 9.277 1.00 24.41 N ATOM 2442 CA ILE B 629 3.889 -7.501 8.160 1.00 43.42 C ATOM 2443 C ILE B 629 4.673 -7.677 6.858 1.00 31.11 C ATOM 2444 O ILE B 629 4.209 -7.277 5.792 1.00 23.45 O ATOM 2445 CB ILE B 629 2.985 -6.266 8.171 1.00 50.14 C ATOM 2446 CG1 ILE B 629 3.770 -5.016 8.575 1.00 52.51 C ATOM 2447 CG2 ILE B 629 1.764 -6.490 9.067 1.00 41.43 C ATOM 2448 CD1 ILE B 629 4.974 -4.805 7.653 1.00 61.41 C ATOM 0 HA ILE B 629 3.220 -8.357 8.249 1.00 43.42 H new ATOM 0 HB ILE B 629 2.617 -6.102 7.158 1.00 50.14 H new ATOM 0 HG12 ILE B 629 3.118 -4.143 8.534 1.00 52.51 H new ATOM 0 HG13 ILE B 629 4.109 -5.112 9.606 1.00 52.51 H new ATOM 0 HG21 ILE B 629 1.137 -5.598 9.058 1.00 41.43 H new ATOM 0 HG22 ILE B 629 1.191 -7.340 8.696 1.00 41.43 H new ATOM 0 HG23 ILE B 629 2.093 -6.692 10.086 1.00 41.43 H new ATOM 0 HD11 ILE B 629 5.516 -3.911 7.961 1.00 61.41 H new ATOM 0 HD12 ILE B 629 5.636 -5.669 7.715 1.00 61.41 H new ATOM 0 HD13 ILE B 629 4.629 -4.685 6.626 1.00 61.41 H new ATOM 2460 N ALA B 630 5.847 -8.276 6.988 1.00 41.41 N ATOM 2461 CA ALA B 630 6.700 -8.510 5.835 1.00 34.31 C ATOM 2462 C ALA B 630 6.013 -9.499 4.890 1.00 73.25 C ATOM 2463 O ALA B 630 6.557 -9.840 3.841 1.00 11.20 O ATOM 2464 CB ALA B 630 8.069 -9.008 6.304 1.00 15.34 C ATOM 0 H ALA B 630 6.228 -8.607 7.874 1.00 41.41 H new ATOM 0 HA ALA B 630 6.861 -7.584 5.284 1.00 34.31 H new ATOM 0 HB1 ALA B 630 8.708 -9.183 5.439 1.00 15.34 H new ATOM 0 HB2 ALA B 630 8.528 -8.258 6.948 1.00 15.34 H new ATOM 0 HB3 ALA B 630 7.947 -9.938 6.860 1.00 15.34 H new