USER MOD reduce.3.24.130724 H: found=0, std=0, add=901, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 900 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 117 GLN :FLIP amide:sc= 0.15 X(o=-0.25,f=0.042) USER MOD Set 1.2: A 120 GLN :FLIP amide:sc= -0.107 F(o=-1.7,f=0.042) USER MOD Set 2.1: A 34 GLN :FLIP amide:sc= 0.689 F(o=-1.4,f=1.4) USER MOD Set 2.2: A 105 THR OG1 : rot 66:sc= 0.721 USER MOD Set 3.1: A 45 THR OG1 : rot -52:sc= 1.12 USER MOD Set 3.2: A 103 SER OG : rot 160:sc= -0.387 USER MOD Set 4.1: A 32 TYR OH : rot -30:sc= -0.0549 USER MOD Set 4.2: A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= -0.243 X(o=-0.24,f=-0.029) USER MOD Single : A 19 THR OG1 : rot -75:sc= 0.631 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ -157:sc= -0.0182 (180deg=-0.634) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 GLN :FLIP amide:sc= -2.49! C(o=-3.9!,f=-2.5!) USER MOD Single : A 29 SER OG : rot -65:sc= 0.978 USER MOD Single : A 30 CYS SG : rot 135:sc= 0.176 USER MOD Single : A 31 ASN : amide:sc=-0.00394 X(o=-0.0039,f=0.28) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -0.0536 X(o=-0.054,f=-0.47) USER MOD Single : A 43 THR OG1 : rot -89:sc= 1.19 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= -0.121 X(o=-0.12,f=0) USER MOD Single : A 51 SER OG : rot 33:sc= 0.11 USER MOD Single : A 56 MET CE :methyl -154:sc= -2.89 (180deg=-6.81!) USER MOD Single : A 68 HIS : no HD1:sc= -0.0463 X(o=-0.046,f=-0.23) USER MOD Single : A 80 TYR OH : rot -90:sc= -1.74 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 CYS SG : rot 160:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 102 CYS SG : rot -42:sc= -1.51! USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 GLN : amide:sc= -0.159 X(o=-0.16,f=-0.048) USER MOD Single : A 115 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 121 GLN : amide:sc= -0.0841 K(o=-0.084,f=-1.6!) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 135 N ALA A 10 10.252 13.501 5.173 1.00 32.11 N ATOM 136 CA ALA A 10 9.629 13.898 6.430 1.00 61.02 C ATOM 137 C ALA A 10 9.208 12.679 7.243 1.00 52.53 C ATOM 138 O ALA A 10 8.309 12.759 8.081 1.00 11.32 O ATOM 139 CB ALA A 10 8.431 14.797 6.165 1.00 51.03 C ATOM 0 HA ALA A 10 10.365 14.454 7.011 1.00 61.02 H new ATOM 0 HB1 ALA A 10 7.976 15.085 7.113 1.00 51.03 H new ATOM 0 HB2 ALA A 10 8.757 15.690 5.632 1.00 51.03 H new ATOM 0 HB3 ALA A 10 7.700 14.260 5.560 1.00 51.03 H new ATOM 145 N TYR A 11 9.862 11.550 6.990 1.00 41.32 N ATOM 146 CA TYR A 11 9.553 10.313 7.697 1.00 1.31 C ATOM 147 C TYR A 11 10.708 9.901 8.605 1.00 40.44 C ATOM 148 O TYR A 11 11.850 10.331 8.435 1.00 73.32 O ATOM 149 CB TYR A 11 9.250 9.194 6.700 1.00 70.32 C ATOM 150 CG TYR A 11 7.779 8.863 6.591 1.00 34.32 C ATOM 151 CD1 TYR A 11 6.847 9.843 6.277 1.00 23.21 C ATOM 152 CD2 TYR A 11 7.321 7.567 6.799 1.00 15.22 C ATOM 153 CE1 TYR A 11 5.502 9.545 6.177 1.00 4.21 C ATOM 154 CE2 TYR A 11 5.979 7.259 6.700 1.00 34.32 C ATOM 155 CZ TYR A 11 5.072 8.252 6.389 1.00 52.20 C ATOM 156 OH TYR A 11 3.734 7.950 6.288 1.00 62.22 O ATOM 0 H TYR A 11 10.609 11.466 6.301 1.00 41.32 H new ATOM 0 HA TYR A 11 8.673 10.488 8.316 1.00 1.31 H new ATOM 0 HB2 TYR A 11 9.623 9.483 5.717 1.00 70.32 H new ATOM 0 HB3 TYR A 11 9.795 8.297 6.996 1.00 70.32 H new ATOM 0 HD1 TYR A 11 7.180 10.856 6.108 1.00 23.21 H new ATOM 0 HD2 TYR A 11 8.028 6.787 7.042 1.00 15.22 H new ATOM 0 HE1 TYR A 11 4.791 10.321 5.934 1.00 4.21 H new ATOM 0 HE2 TYR A 11 5.641 6.247 6.865 1.00 34.32 H new ATOM 0 HH TYR A 11 3.600 6.996 6.466 1.00 62.22 H new ATOM 166 N PRO A 12 10.406 9.047 9.595 1.00 0.05 N ATOM 167 CA PRO A 12 9.050 8.529 9.807 1.00 45.41 C ATOM 168 C PRO A 12 8.093 9.604 10.310 1.00 24.51 C ATOM 169 O PRO A 12 8.480 10.491 11.071 1.00 11.44 O ATOM 170 CB PRO A 12 9.248 7.448 10.873 1.00 21.52 C ATOM 171 CG PRO A 12 10.482 7.854 11.601 1.00 21.50 C ATOM 172 CD PRO A 12 11.364 8.521 10.582 1.00 63.41 C ATOM 0 HA PRO A 12 8.604 8.160 8.883 1.00 45.41 H new ATOM 0 HB2 PRO A 12 8.392 7.394 11.545 1.00 21.52 H new ATOM 0 HB3 PRO A 12 9.361 6.463 10.421 1.00 21.52 H new ATOM 0 HG2 PRO A 12 10.246 8.535 12.419 1.00 21.50 H new ATOM 0 HG3 PRO A 12 10.978 6.989 12.040 1.00 21.50 H new ATOM 0 HD2 PRO A 12 11.961 9.317 11.027 1.00 63.41 H new ATOM 0 HD3 PRO A 12 12.061 7.815 10.130 1.00 63.41 H new ATOM 180 N LEU A 13 6.838 9.519 9.880 1.00 2.51 N ATOM 181 CA LEU A 13 5.823 10.484 10.286 1.00 22.03 C ATOM 182 C LEU A 13 4.834 9.855 11.262 1.00 43.01 C ATOM 183 O LEU A 13 4.495 8.678 11.145 1.00 64.51 O ATOM 184 CB LEU A 13 5.079 11.018 9.061 1.00 72.44 C ATOM 185 CG LEU A 13 4.150 12.208 9.306 1.00 5.33 C ATOM 186 CD1 LEU A 13 4.934 13.394 9.847 1.00 75.23 C ATOM 187 CD2 LEU A 13 3.423 12.589 8.024 1.00 21.51 C ATOM 0 H LEU A 13 6.500 8.791 9.250 1.00 2.51 H new ATOM 0 HA LEU A 13 6.324 11.312 10.788 1.00 22.03 H new ATOM 0 HB2 LEU A 13 5.815 11.306 8.311 1.00 72.44 H new ATOM 0 HB3 LEU A 13 4.491 10.205 8.635 1.00 72.44 H new ATOM 0 HG LEU A 13 3.408 11.918 10.050 1.00 5.33 H new ATOM 0 HD11 LEU A 13 4.257 14.231 10.015 1.00 75.23 H new ATOM 0 HD12 LEU A 13 5.410 13.117 10.788 1.00 75.23 H new ATOM 0 HD13 LEU A 13 5.698 13.684 9.126 1.00 75.23 H new ATOM 0 HD21 LEU A 13 2.766 13.437 8.217 1.00 21.51 H new ATOM 0 HD22 LEU A 13 4.151 12.860 7.260 1.00 21.51 H new ATOM 0 HD23 LEU A 13 2.830 11.743 7.677 1.00 21.51 H new ATOM 199 N ALA A 14 4.373 10.649 12.224 1.00 21.23 N ATOM 200 CA ALA A 14 3.420 10.171 13.217 1.00 65.22 C ATOM 201 C ALA A 14 2.100 10.929 13.120 1.00 24.13 C ATOM 202 O ALA A 14 2.083 12.152 12.983 1.00 42.53 O ATOM 203 CB ALA A 14 4.004 10.304 14.616 1.00 3.34 C ATOM 0 H ALA A 14 4.645 11.626 12.336 1.00 21.23 H new ATOM 0 HA ALA A 14 3.221 9.118 13.016 1.00 65.22 H new ATOM 0 HB1 ALA A 14 3.281 9.943 15.348 1.00 3.34 H new ATOM 0 HB2 ALA A 14 4.917 9.714 14.687 1.00 3.34 H new ATOM 0 HB3 ALA A 14 4.232 11.351 14.817 1.00 3.34 H new ATOM 209 N ASP A 15 0.995 10.195 13.190 1.00 33.33 N ATOM 210 CA ASP A 15 -0.330 10.797 13.110 1.00 71.12 C ATOM 211 C ASP A 15 -0.508 11.864 14.186 1.00 31.00 C ATOM 212 O ASP A 15 0.243 11.909 15.159 1.00 12.22 O ATOM 213 CB ASP A 15 -1.411 9.724 13.254 1.00 71.23 C ATOM 214 CG ASP A 15 -1.147 8.788 14.416 1.00 51.43 C ATOM 215 OD1 ASP A 15 -0.283 7.896 14.276 1.00 5.15 O ATOM 216 OD2 ASP A 15 -1.802 8.947 15.467 1.00 34.22 O ATOM 0 H ASP A 15 0.991 9.181 13.302 1.00 33.33 H new ATOM 0 HA ASP A 15 -0.428 11.271 12.134 1.00 71.12 H new ATOM 0 HB2 ASP A 15 -2.380 10.205 13.391 1.00 71.23 H new ATOM 0 HB3 ASP A 15 -1.470 9.146 12.332 1.00 71.23 H new ATOM 221 N ALA A 16 -1.508 12.720 14.004 1.00 2.42 N ATOM 222 CA ALA A 16 -1.785 13.786 14.958 1.00 53.35 C ATOM 223 C ALA A 16 -1.983 13.226 16.363 1.00 63.34 C ATOM 224 O ALA A 16 -1.687 13.892 17.356 1.00 10.14 O ATOM 225 CB ALA A 16 -3.010 14.577 14.526 1.00 50.22 C ATOM 0 H ALA A 16 -2.140 12.696 13.204 1.00 2.42 H new ATOM 0 HA ALA A 16 -0.924 14.454 14.978 1.00 53.35 H new ATOM 0 HB1 ALA A 16 -3.205 15.370 15.248 1.00 50.22 H new ATOM 0 HB2 ALA A 16 -2.832 15.016 13.544 1.00 50.22 H new ATOM 0 HB3 ALA A 16 -3.873 13.913 14.475 1.00 50.22 H new ATOM 231 N HIS A 17 -2.487 11.999 16.440 1.00 75.02 N ATOM 232 CA HIS A 17 -2.724 11.349 17.724 1.00 75.54 C ATOM 233 C HIS A 17 -1.409 10.939 18.378 1.00 21.11 C ATOM 234 O HIS A 17 -1.105 11.353 19.497 1.00 54.45 O ATOM 235 CB HIS A 17 -3.620 10.122 17.541 1.00 23.42 C ATOM 236 CG HIS A 17 -4.793 10.094 18.472 1.00 33.13 C ATOM 237 ND1 HIS A 17 -5.253 8.938 19.066 1.00 71.52 N ATOM 238 CD2 HIS A 17 -5.600 11.088 18.910 1.00 30.43 C ATOM 239 CE1 HIS A 17 -6.294 9.222 19.829 1.00 73.33 C ATOM 240 NE2 HIS A 17 -6.525 10.521 19.752 1.00 32.42 N ATOM 0 H HIS A 17 -2.739 11.435 15.629 1.00 75.02 H new ATOM 0 HA HIS A 17 -3.226 12.063 18.377 1.00 75.54 H new ATOM 0 HB2 HIS A 17 -3.982 10.096 16.513 1.00 23.42 H new ATOM 0 HB3 HIS A 17 -3.025 9.222 17.692 1.00 23.42 H new ATOM 0 HD2 HIS A 17 -5.530 12.133 18.646 1.00 30.43 H new ATOM 0 HE1 HIS A 17 -6.860 8.513 20.416 1.00 73.33 H new ATOM 0 HE2 HIS A 17 -7.269 11.021 20.239 1.00 32.42 H new ATOM 248 N LEU A 18 -0.632 10.124 17.674 1.00 33.34 N ATOM 249 CA LEU A 18 0.652 9.656 18.185 1.00 71.35 C ATOM 250 C LEU A 18 1.542 10.832 18.575 1.00 5.12 C ATOM 251 O LEU A 18 2.132 10.848 19.655 1.00 1.13 O ATOM 252 CB LEU A 18 1.356 8.792 17.140 1.00 53.10 C ATOM 253 CG LEU A 18 1.675 7.356 17.560 1.00 11.12 C ATOM 254 CD1 LEU A 18 2.027 6.510 16.346 1.00 41.32 C ATOM 255 CD2 LEU A 18 2.809 7.337 18.573 1.00 53.12 C ATOM 0 H LEU A 18 -0.869 9.773 16.746 1.00 33.34 H new ATOM 0 HA LEU A 18 0.464 9.055 19.075 1.00 71.35 H new ATOM 0 HB2 LEU A 18 0.733 8.758 16.246 1.00 53.10 H new ATOM 0 HB3 LEU A 18 2.288 9.283 16.860 1.00 53.10 H new ATOM 0 HG LEU A 18 0.788 6.929 18.029 1.00 11.12 H new ATOM 0 HD11 LEU A 18 2.251 5.492 16.665 1.00 41.32 H new ATOM 0 HD12 LEU A 18 1.184 6.497 15.655 1.00 41.32 H new ATOM 0 HD13 LEU A 18 2.899 6.934 15.847 1.00 41.32 H new ATOM 0 HD21 LEU A 18 3.023 6.308 18.861 1.00 53.12 H new ATOM 0 HD22 LEU A 18 3.700 7.782 18.130 1.00 53.12 H new ATOM 0 HD23 LEU A 18 2.518 7.907 19.455 1.00 53.12 H new ATOM 267 N THR A 19 1.635 11.817 17.686 1.00 32.23 N ATOM 268 CA THR A 19 2.452 12.997 17.935 1.00 45.33 C ATOM 269 C THR A 19 2.030 13.696 19.223 1.00 1.11 C ATOM 270 O THR A 19 2.853 14.295 19.915 1.00 3.13 O ATOM 271 CB THR A 19 2.365 13.998 16.768 1.00 41.04 C ATOM 272 OG1 THR A 19 0.994 14.275 16.463 1.00 64.31 O ATOM 273 CG2 THR A 19 3.065 13.452 15.533 1.00 75.01 C ATOM 0 H THR A 19 1.154 11.820 16.787 1.00 32.23 H new ATOM 0 HA THR A 19 3.482 12.653 18.032 1.00 45.33 H new ATOM 0 HB THR A 19 2.863 14.919 17.070 1.00 41.04 H new ATOM 0 HG1 THR A 19 0.607 13.516 15.979 1.00 64.31 H new ATOM 0 HG21 THR A 19 2.990 14.177 14.722 1.00 75.01 H new ATOM 0 HG22 THR A 19 4.115 13.270 15.761 1.00 75.01 H new ATOM 0 HG23 THR A 19 2.592 12.518 15.230 1.00 75.01 H new ATOM 281 N LYS A 20 0.743 13.616 19.539 1.00 32.13 N ATOM 282 CA LYS A 20 0.210 14.239 20.744 1.00 72.14 C ATOM 283 C LYS A 20 0.979 13.781 21.979 1.00 71.02 C ATOM 284 O LYS A 20 1.458 14.600 22.765 1.00 34.41 O ATOM 285 CB LYS A 20 -1.275 13.905 20.903 1.00 21.12 C ATOM 286 CG LYS A 20 -2.088 15.030 21.521 1.00 34.50 C ATOM 287 CD LYS A 20 -3.565 14.902 21.182 1.00 1.53 C ATOM 288 CE LYS A 20 -4.444 15.278 22.364 1.00 43.52 C ATOM 289 NZ LYS A 20 -5.890 15.123 22.052 1.00 33.52 N ATOM 0 H LYS A 20 0.048 13.125 18.976 1.00 32.13 H new ATOM 0 HA LYS A 20 0.325 15.318 20.645 1.00 72.14 H new ATOM 0 HB2 LYS A 20 -1.691 13.662 19.925 1.00 21.12 H new ATOM 0 HB3 LYS A 20 -1.374 13.013 21.522 1.00 21.12 H new ATOM 0 HG2 LYS A 20 -1.960 15.021 22.603 1.00 34.50 H new ATOM 0 HG3 LYS A 20 -1.714 15.989 21.164 1.00 34.50 H new ATOM 0 HD2 LYS A 20 -3.801 15.544 20.333 1.00 1.53 H new ATOM 0 HD3 LYS A 20 -3.782 13.878 20.877 1.00 1.53 H new ATOM 0 HE2 LYS A 20 -4.188 14.653 23.220 1.00 43.52 H new ATOM 0 HE3 LYS A 20 -4.243 16.310 22.652 1.00 43.52 H new ATOM 0 HZ1 LYS A 20 -6.455 15.389 22.884 1.00 33.52 H new ATOM 0 HZ2 LYS A 20 -6.140 15.738 21.252 1.00 33.52 H new ATOM 0 HZ3 LYS A 20 -6.087 14.133 21.802 1.00 33.52 H new ATOM 303 N LYS A 21 1.096 12.467 22.144 1.00 61.24 N ATOM 304 CA LYS A 21 1.809 11.899 23.282 1.00 1.21 C ATOM 305 C LYS A 21 3.289 12.270 23.236 1.00 33.22 C ATOM 306 O LYS A 21 3.898 12.561 24.266 1.00 71.23 O ATOM 307 CB LYS A 21 1.654 10.377 23.299 1.00 32.43 C ATOM 308 CG LYS A 21 0.213 9.914 23.424 1.00 63.44 C ATOM 309 CD LYS A 21 -0.036 8.642 22.631 1.00 43.13 C ATOM 310 CE LYS A 21 0.732 7.464 23.210 1.00 52.55 C ATOM 311 NZ LYS A 21 2.052 7.280 22.544 1.00 30.30 N ATOM 0 H LYS A 21 0.706 11.776 21.503 1.00 61.24 H new ATOM 0 HA LYS A 21 1.377 12.312 24.193 1.00 1.21 H new ATOM 0 HB2 LYS A 21 2.081 9.966 22.384 1.00 32.43 H new ATOM 0 HB3 LYS A 21 2.231 9.971 24.130 1.00 32.43 H new ATOM 0 HG2 LYS A 21 -0.025 9.742 24.474 1.00 63.44 H new ATOM 0 HG3 LYS A 21 -0.454 10.700 23.071 1.00 63.44 H new ATOM 0 HD2 LYS A 21 -1.102 8.416 22.629 1.00 43.13 H new ATOM 0 HD3 LYS A 21 0.260 8.795 21.593 1.00 43.13 H new ATOM 0 HE2 LYS A 21 0.883 7.619 24.278 1.00 52.55 H new ATOM 0 HE3 LYS A 21 0.140 6.555 23.100 1.00 52.55 H new ATOM 0 HZ1 LYS A 21 2.367 6.296 22.664 1.00 30.30 H new ATOM 0 HZ2 LYS A 21 1.962 7.494 21.530 1.00 30.30 H new ATOM 0 HZ3 LYS A 21 2.750 7.921 22.973 1.00 30.30 H new ATOM 325 N LEU A 22 3.860 12.257 22.037 1.00 33.14 N ATOM 326 CA LEU A 22 5.268 12.593 21.857 1.00 13.42 C ATOM 327 C LEU A 22 5.551 14.018 22.320 1.00 2.14 C ATOM 328 O LEU A 22 6.498 14.262 23.069 1.00 64.02 O ATOM 329 CB LEU A 22 5.667 12.432 20.389 1.00 51.15 C ATOM 330 CG LEU A 22 7.119 12.028 20.128 1.00 54.42 C ATOM 331 CD1 LEU A 22 7.408 12.007 18.636 1.00 21.55 C ATOM 332 CD2 LEU A 22 8.073 12.974 20.844 1.00 73.13 C ATOM 0 H LEU A 22 3.370 12.018 21.175 1.00 33.14 H new ATOM 0 HA LEU A 22 5.860 11.909 22.465 1.00 13.42 H new ATOM 0 HB2 LEU A 22 5.016 11.684 19.936 1.00 51.15 H new ATOM 0 HB3 LEU A 22 5.475 13.374 19.876 1.00 51.15 H new ATOM 0 HG LEU A 22 7.272 11.023 20.521 1.00 54.42 H new ATOM 0 HD11 LEU A 22 8.446 11.717 18.470 1.00 21.55 H new ATOM 0 HD12 LEU A 22 6.749 11.289 18.148 1.00 21.55 H new ATOM 0 HD13 LEU A 22 7.237 12.999 18.218 1.00 21.55 H new ATOM 0 HD21 LEU A 22 9.101 12.671 20.647 1.00 73.13 H new ATOM 0 HD22 LEU A 22 7.918 13.990 20.481 1.00 73.13 H new ATOM 0 HD23 LEU A 22 7.883 12.939 21.917 1.00 73.13 H new ATOM 344 N LEU A 23 4.724 14.956 21.871 1.00 10.20 N ATOM 345 CA LEU A 23 4.884 16.358 22.240 1.00 54.04 C ATOM 346 C LEU A 23 4.678 16.552 23.739 1.00 45.23 C ATOM 347 O LEU A 23 5.496 17.181 24.411 1.00 42.02 O ATOM 348 CB LEU A 23 3.895 17.227 21.461 1.00 72.22 C ATOM 349 CG LEU A 23 4.489 18.079 20.339 1.00 73.41 C ATOM 350 CD1 LEU A 23 4.615 17.265 19.061 1.00 33.44 C ATOM 351 CD2 LEU A 23 3.638 19.318 20.103 1.00 0.22 C ATOM 0 H LEU A 23 3.936 14.771 21.251 1.00 10.20 H new ATOM 0 HA LEU A 23 5.900 16.661 21.989 1.00 54.04 H new ATOM 0 HB2 LEU A 23 3.132 16.578 21.032 1.00 72.22 H new ATOM 0 HB3 LEU A 23 3.391 17.889 22.165 1.00 72.22 H new ATOM 0 HG LEU A 23 5.486 18.400 20.641 1.00 73.41 H new ATOM 0 HD11 LEU A 23 5.039 17.888 18.273 1.00 33.44 H new ATOM 0 HD12 LEU A 23 5.266 16.409 19.238 1.00 33.44 H new ATOM 0 HD13 LEU A 23 3.630 16.914 18.755 1.00 33.44 H new ATOM 0 HD21 LEU A 23 4.076 19.913 19.301 1.00 0.22 H new ATOM 0 HD22 LEU A 23 2.628 19.018 19.823 1.00 0.22 H new ATOM 0 HD23 LEU A 23 3.600 19.912 21.016 1.00 0.22 H new ATOM 363 N ASP A 24 3.583 16.008 24.257 1.00 13.14 N ATOM 364 CA ASP A 24 3.271 16.118 25.677 1.00 64.01 C ATOM 365 C ASP A 24 4.430 15.607 26.528 1.00 64.53 C ATOM 366 O ASP A 24 4.687 16.122 27.618 1.00 14.12 O ATOM 367 CB ASP A 24 1.997 15.338 26.004 1.00 15.35 C ATOM 368 CG ASP A 24 0.928 16.211 26.630 1.00 50.54 C ATOM 369 OD1 ASP A 24 1.278 17.068 27.468 1.00 21.04 O ATOM 370 OD2 ASP A 24 -0.259 16.035 26.284 1.00 3.11 O ATOM 0 H ASP A 24 2.895 15.486 23.714 1.00 13.14 H new ATOM 0 HA ASP A 24 3.110 17.171 25.909 1.00 64.01 H new ATOM 0 HB2 ASP A 24 1.606 14.888 25.092 1.00 15.35 H new ATOM 0 HB3 ASP A 24 2.239 14.521 26.684 1.00 15.35 H new ATOM 375 N LEU A 25 5.124 14.593 26.026 1.00 72.32 N ATOM 376 CA LEU A 25 6.253 14.010 26.741 1.00 53.41 C ATOM 377 C LEU A 25 7.448 14.960 26.738 1.00 25.13 C ATOM 378 O LEU A 25 8.292 14.915 27.631 1.00 54.25 O ATOM 379 CB LEU A 25 6.649 12.675 26.109 1.00 35.33 C ATOM 380 CG LEU A 25 7.956 12.057 26.607 1.00 14.13 C ATOM 381 CD1 LEU A 25 7.961 11.968 28.125 1.00 74.13 C ATOM 382 CD2 LEU A 25 8.166 10.682 25.990 1.00 21.24 C ATOM 0 H LEU A 25 4.925 14.157 25.126 1.00 72.32 H new ATOM 0 HA LEU A 25 5.948 13.840 27.774 1.00 53.41 H new ATOM 0 HB2 LEU A 25 5.844 11.961 26.282 1.00 35.33 H new ATOM 0 HB3 LEU A 25 6.724 12.815 25.031 1.00 35.33 H new ATOM 0 HG LEU A 25 8.780 12.701 26.299 1.00 14.13 H new ATOM 0 HD11 LEU A 25 8.899 11.526 28.460 1.00 74.13 H new ATOM 0 HD12 LEU A 25 7.859 12.967 28.548 1.00 74.13 H new ATOM 0 HD13 LEU A 25 7.128 11.347 28.456 1.00 74.13 H new ATOM 0 HD21 LEU A 25 9.101 10.258 26.356 1.00 21.24 H new ATOM 0 HD22 LEU A 25 7.338 10.029 26.267 1.00 21.24 H new ATOM 0 HD23 LEU A 25 8.209 10.773 24.905 1.00 21.24 H new ATOM 394 N VAL A 26 7.509 15.822 25.727 1.00 75.12 N ATOM 395 CA VAL A 26 8.597 16.784 25.609 1.00 4.51 C ATOM 396 C VAL A 26 8.437 17.920 26.614 1.00 11.11 C ATOM 397 O VAL A 26 9.394 18.306 27.286 1.00 33.32 O ATOM 398 CB VAL A 26 8.672 17.376 24.190 1.00 24.23 C ATOM 399 CG1 VAL A 26 9.800 18.393 24.092 1.00 35.44 C ATOM 400 CG2 VAL A 26 8.850 16.271 23.160 1.00 32.13 C ATOM 0 H VAL A 26 6.818 15.873 24.979 1.00 75.12 H new ATOM 0 HA VAL A 26 9.521 16.244 25.818 1.00 4.51 H new ATOM 0 HB VAL A 26 7.733 17.889 23.981 1.00 24.23 H new ATOM 0 HG11 VAL A 26 9.836 18.800 23.081 1.00 35.44 H new ATOM 0 HG12 VAL A 26 9.624 19.201 24.802 1.00 35.44 H new ATOM 0 HG13 VAL A 26 10.748 17.908 24.322 1.00 35.44 H new ATOM 0 HG21 VAL A 26 8.901 16.708 22.163 1.00 32.13 H new ATOM 0 HG22 VAL A 26 9.772 15.727 23.365 1.00 32.13 H new ATOM 0 HG23 VAL A 26 8.005 15.585 23.213 1.00 32.13 H new ATOM 410 N GLN A 27 7.223 18.451 26.710 1.00 73.34 N ATOM 411 CA GLN A 27 6.938 19.543 27.633 1.00 34.10 C ATOM 412 C GLN A 27 7.393 19.194 29.046 1.00 74.20 C ATOM 413 O GLN A 27 7.809 20.067 29.807 1.00 65.11 O ATOM 414 CB GLN A 27 5.442 19.864 27.630 1.00 53.43 C ATOM 415 CG GLN A 27 5.107 21.210 28.253 1.00 15.44 C ATOM 416 CD GLN A 27 3.934 21.134 29.210 1.00 44.44 C ATOM 417 OE1 GLN A 27 4.088 20.746 30.368 1.00 33.13 O ATOM 418 NE2 GLN A 27 2.754 21.508 28.731 1.00 22.24 N ATOM 0 H GLN A 27 6.421 18.143 26.160 1.00 73.34 H new ATOM 0 HA GLN A 27 7.491 20.421 27.300 1.00 34.10 H new ATOM 0 HB2 GLN A 27 5.077 19.848 26.603 1.00 53.43 H new ATOM 0 HB3 GLN A 27 4.910 19.081 28.170 1.00 53.43 H new ATOM 0 HG2 GLN A 27 5.981 21.588 28.784 1.00 15.44 H new ATOM 0 HG3 GLN A 27 4.880 21.926 27.463 1.00 15.44 H new ATOM 0 HE21 GLN A 27 2.673 21.823 27.764 1.00 22.24 H new ATOM 0 HE22 GLN A 27 1.929 21.481 29.330 1.00 22.24 H new ATOM 427 N GLN A 28 7.309 17.913 29.390 1.00 54.10 N ATOM 428 CA GLN A 28 7.712 17.450 30.712 1.00 60.05 C ATOM 429 C GLN A 28 9.179 17.769 30.979 1.00 2.54 C ATOM 430 O GLN A 28 9.575 18.012 32.118 1.00 52.21 O ATOM 431 CB GLN A 28 7.474 15.945 30.844 1.00 31.30 C ATOM 432 CG GLN A 28 6.010 15.548 30.733 1.00 4.43 C ATOM 433 CD GLN A 28 5.512 14.806 31.958 1.00 24.10 C ATOM 434 OE1 GLN A 28 5.876 13.535 32.069 1.00 72.12 O flip ATOM 435 NE2 GLN A 28 4.807 15.371 32.795 1.00 32.12 N flip ATOM 0 H GLN A 28 6.966 17.178 28.772 1.00 54.10 H new ATOM 0 HA GLN A 28 7.105 17.973 31.451 1.00 60.05 H new ATOM 0 HB2 GLN A 28 8.042 15.427 30.071 1.00 31.30 H new ATOM 0 HB3 GLN A 28 7.862 15.607 31.805 1.00 31.30 H new ATOM 0 HG2 GLN A 28 5.405 16.442 30.584 1.00 4.43 H new ATOM 0 HG3 GLN A 28 5.873 14.920 29.852 1.00 4.43 H new ATOM 0 HE21 GLN A 28 4.551 16.350 32.669 1.00 32.12 H new ATOM 0 HE22 GLN A 28 4.479 14.860 33.614 1.00 32.12 H new ATOM 444 N SER A 29 9.981 17.768 29.919 1.00 2.54 N ATOM 445 CA SER A 29 11.406 18.053 30.038 1.00 10.32 C ATOM 446 C SER A 29 11.638 19.361 30.789 1.00 60.55 C ATOM 447 O SER A 29 12.409 19.411 31.748 1.00 63.23 O ATOM 448 CB SER A 29 12.052 18.127 28.653 1.00 25.43 C ATOM 449 OG SER A 29 13.432 18.431 28.749 1.00 1.44 O ATOM 0 H SER A 29 9.668 17.573 28.968 1.00 2.54 H new ATOM 0 HA SER A 29 11.866 17.242 30.603 1.00 10.32 H new ATOM 0 HB2 SER A 29 11.921 17.176 28.136 1.00 25.43 H new ATOM 0 HB3 SER A 29 11.550 18.887 28.054 1.00 25.43 H new ATOM 0 HG SER A 29 13.544 19.330 29.123 1.00 1.44 H new ATOM 455 N CYS A 30 10.963 20.417 30.346 1.00 71.04 N ATOM 456 CA CYS A 30 11.095 21.727 30.975 1.00 33.23 C ATOM 457 C CYS A 30 10.685 21.669 32.443 1.00 14.24 C ATOM 458 O CYS A 30 11.158 22.457 33.260 1.00 53.03 O ATOM 459 CB CYS A 30 10.241 22.758 30.235 1.00 41.01 C ATOM 460 SG CYS A 30 10.534 22.815 28.452 1.00 62.44 S ATOM 0 H CYS A 30 10.320 20.392 29.555 1.00 71.04 H new ATOM 0 HA CYS A 30 12.142 22.026 30.921 1.00 33.23 H new ATOM 0 HB2 CYS A 30 9.189 22.537 30.413 1.00 41.01 H new ATOM 0 HB3 CYS A 30 10.435 23.744 30.656 1.00 41.01 H new ATOM 0 HG CYS A 30 9.395 22.851 27.826 1.00 62.44 H new ATOM 466 N ASN A 31 9.803 20.730 32.769 1.00 73.11 N ATOM 467 CA ASN A 31 9.327 20.570 34.138 1.00 45.55 C ATOM 468 C ASN A 31 10.458 20.114 35.056 1.00 74.14 C ATOM 469 O ASN A 31 10.431 20.363 36.262 1.00 21.10 O ATOM 470 CB ASN A 31 8.177 19.562 34.187 1.00 44.33 C ATOM 471 CG ASN A 31 7.241 19.810 35.355 1.00 21.43 C ATOM 472 OD1 ASN A 31 7.650 20.324 36.395 1.00 41.21 O ATOM 473 ND2 ASN A 31 5.976 19.443 35.185 1.00 62.20 N ATOM 0 H ASN A 31 9.403 20.068 32.104 1.00 73.11 H new ATOM 0 HA ASN A 31 8.967 21.538 34.487 1.00 45.55 H new ATOM 0 HB2 ASN A 31 7.613 19.613 33.256 1.00 44.33 H new ATOM 0 HB3 ASN A 31 8.584 18.553 34.259 1.00 44.33 H new ATOM 0 HD21 ASN A 31 5.299 19.584 35.935 1.00 62.20 H new ATOM 0 HD22 ASN A 31 5.682 19.020 34.305 1.00 62.20 H new ATOM 480 N TYR A 32 11.449 19.447 34.478 1.00 34.13 N ATOM 481 CA TYR A 32 12.588 18.954 35.244 1.00 53.11 C ATOM 482 C TYR A 32 13.755 19.933 35.174 1.00 13.42 C ATOM 483 O TYR A 32 14.916 19.547 35.326 1.00 22.30 O ATOM 484 CB TYR A 32 13.025 17.583 34.724 1.00 62.30 C ATOM 485 CG TYR A 32 12.202 16.437 35.269 1.00 42.43 C ATOM 486 CD1 TYR A 32 10.838 16.354 35.018 1.00 25.11 C ATOM 487 CD2 TYR A 32 12.789 15.440 36.038 1.00 34.44 C ATOM 488 CE1 TYR A 32 10.083 15.310 35.515 1.00 64.24 C ATOM 489 CE2 TYR A 32 12.041 14.391 36.537 1.00 73.15 C ATOM 490 CZ TYR A 32 10.689 14.331 36.274 1.00 62.21 C ATOM 491 OH TYR A 32 9.940 13.289 36.771 1.00 2.00 O ATOM 0 H TYR A 32 11.488 19.235 33.481 1.00 34.13 H new ATOM 0 HA TYR A 32 12.279 18.858 36.285 1.00 53.11 H new ATOM 0 HB2 TYR A 32 12.961 17.579 33.636 1.00 62.30 H new ATOM 0 HB3 TYR A 32 14.072 17.423 34.983 1.00 62.30 H new ATOM 0 HD1 TYR A 32 10.360 17.119 34.424 1.00 25.11 H new ATOM 0 HD2 TYR A 32 13.847 15.486 36.249 1.00 34.44 H new ATOM 0 HE1 TYR A 32 9.024 15.260 35.310 1.00 64.24 H new ATOM 0 HE2 TYR A 32 12.513 13.622 37.130 1.00 73.15 H new ATOM 0 HH TYR A 32 9.022 13.593 36.931 1.00 2.00 H new ATOM 501 N LYS A 33 13.442 21.203 34.944 1.00 62.25 N ATOM 502 CA LYS A 33 14.462 22.240 34.855 1.00 71.31 C ATOM 503 C LYS A 33 15.459 21.929 33.744 1.00 10.24 C ATOM 504 O LYS A 33 16.608 22.366 33.789 1.00 44.02 O ATOM 505 CB LYS A 33 15.197 22.377 36.190 1.00 12.10 C ATOM 506 CG LYS A 33 14.280 22.682 37.362 1.00 22.44 C ATOM 507 CD LYS A 33 14.994 22.505 38.691 1.00 5.15 C ATOM 508 CE LYS A 33 14.089 21.860 39.729 1.00 62.23 C ATOM 509 NZ LYS A 33 13.913 22.728 40.926 1.00 62.45 N ATOM 0 H LYS A 33 12.488 21.539 34.816 1.00 62.25 H new ATOM 0 HA LYS A 33 13.967 23.182 34.621 1.00 71.31 H new ATOM 0 HB2 LYS A 33 15.738 21.453 36.394 1.00 12.10 H new ATOM 0 HB3 LYS A 33 15.941 23.169 36.106 1.00 12.10 H new ATOM 0 HG2 LYS A 33 13.911 23.704 37.280 1.00 22.44 H new ATOM 0 HG3 LYS A 33 13.411 22.026 37.325 1.00 22.44 H new ATOM 0 HD2 LYS A 33 15.882 21.890 38.549 1.00 5.15 H new ATOM 0 HD3 LYS A 33 15.333 23.475 39.055 1.00 5.15 H new ATOM 0 HE2 LYS A 33 13.116 21.653 39.284 1.00 62.23 H new ATOM 0 HE3 LYS A 33 14.511 20.902 40.034 1.00 62.23 H new ATOM 0 HZ1 LYS A 33 13.290 22.254 41.610 1.00 62.45 H new ATOM 0 HZ2 LYS A 33 14.839 22.905 41.366 1.00 62.45 H new ATOM 0 HZ3 LYS A 33 13.487 23.633 40.639 1.00 62.45 H new ATOM 523 N GLN A 34 15.010 21.173 32.747 1.00 15.41 N ATOM 524 CA GLN A 34 15.863 20.805 31.624 1.00 10.31 C ATOM 525 C GLN A 34 15.160 21.067 30.296 1.00 71.50 C ATOM 526 O GLN A 34 13.988 20.725 30.124 1.00 1.41 O ATOM 527 CB GLN A 34 16.263 19.331 31.720 1.00 41.14 C ATOM 528 CG GLN A 34 17.756 19.094 31.565 1.00 21.02 C ATOM 529 CD GLN A 34 18.144 17.645 31.790 1.00 23.22 C ATOM 530 OE1 GLN A 34 17.381 16.731 31.203 1.00 72.22 O flip ATOM 531 NE2 GLN A 34 19.118 17.352 32.483 1.00 15.13 N flip ATOM 0 H GLN A 34 14.061 20.804 32.695 1.00 15.41 H new ATOM 0 HA GLN A 34 16.761 21.422 31.667 1.00 10.31 H new ATOM 0 HB2 GLN A 34 15.939 18.937 32.684 1.00 41.14 H new ATOM 0 HB3 GLN A 34 15.733 18.769 30.952 1.00 41.14 H new ATOM 0 HG2 GLN A 34 18.066 19.398 30.565 1.00 21.02 H new ATOM 0 HG3 GLN A 34 18.295 19.724 32.272 1.00 21.02 H new ATOM 0 HE21 GLN A 34 19.676 18.088 32.915 1.00 15.13 H new ATOM 0 HE22 GLN A 34 19.367 16.373 32.625 1.00 15.13 H new ATOM 540 N LEU A 35 15.880 21.675 29.360 1.00 43.04 N ATOM 541 CA LEU A 35 15.324 21.984 28.048 1.00 5.24 C ATOM 542 C LEU A 35 16.420 22.429 27.083 1.00 73.02 C ATOM 543 O LEU A 35 17.531 22.755 27.500 1.00 62.02 O ATOM 544 CB LEU A 35 14.260 23.075 28.167 1.00 24.51 C ATOM 545 CG LEU A 35 14.528 24.164 29.206 1.00 72.40 C ATOM 546 CD1 LEU A 35 15.856 24.850 28.931 1.00 0.15 C ATOM 547 CD2 LEU A 35 13.394 25.179 29.219 1.00 71.11 C ATOM 0 H LEU A 35 16.850 21.964 29.485 1.00 43.04 H new ATOM 0 HA LEU A 35 14.864 21.078 27.653 1.00 5.24 H new ATOM 0 HB2 LEU A 35 14.146 23.551 27.193 1.00 24.51 H new ATOM 0 HB3 LEU A 35 13.307 22.601 28.404 1.00 24.51 H new ATOM 0 HG LEU A 35 14.582 23.696 30.189 1.00 72.40 H new ATOM 0 HD11 LEU A 35 16.029 25.622 29.681 1.00 0.15 H new ATOM 0 HD12 LEU A 35 16.660 24.116 28.974 1.00 0.15 H new ATOM 0 HD13 LEU A 35 15.832 25.305 27.941 1.00 0.15 H new ATOM 0 HD21 LEU A 35 13.601 25.947 29.964 1.00 71.11 H new ATOM 0 HD22 LEU A 35 13.308 25.642 28.236 1.00 71.11 H new ATOM 0 HD23 LEU A 35 12.459 24.677 29.466 1.00 71.11 H new ATOM 559 N ARG A 36 16.097 22.442 25.794 1.00 74.42 N ATOM 560 CA ARG A 36 17.053 22.848 24.772 1.00 20.40 C ATOM 561 C ARG A 36 16.334 23.393 23.541 1.00 65.13 C ATOM 562 O ARG A 36 15.281 22.890 23.149 1.00 41.00 O ATOM 563 CB ARG A 36 17.941 21.667 24.375 1.00 71.40 C ATOM 564 CG ARG A 36 19.349 22.072 23.970 1.00 30.51 C ATOM 565 CD ARG A 36 20.161 22.536 25.168 1.00 50.44 C ATOM 566 NE ARG A 36 20.215 23.993 25.262 1.00 5.35 N ATOM 567 CZ ARG A 36 20.878 24.644 26.211 1.00 31.34 C ATOM 568 NH1 ARG A 36 21.540 23.972 27.142 1.00 52.52 N ATOM 569 NH2 ARG A 36 20.881 25.971 26.230 1.00 21.42 N ATOM 0 H ARG A 36 15.181 22.176 25.433 1.00 74.42 H new ATOM 0 HA ARG A 36 17.677 23.639 25.188 1.00 20.40 H new ATOM 0 HB2 ARG A 36 17.999 20.970 25.211 1.00 71.40 H new ATOM 0 HB3 ARG A 36 17.473 21.134 23.547 1.00 71.40 H new ATOM 0 HG2 ARG A 36 19.849 21.228 23.495 1.00 30.51 H new ATOM 0 HG3 ARG A 36 19.300 22.871 23.230 1.00 30.51 H new ATOM 0 HD2 ARG A 36 19.725 22.130 26.081 1.00 50.44 H new ATOM 0 HD3 ARG A 36 21.174 22.140 25.095 1.00 50.44 H new ATOM 0 HE ARG A 36 19.716 24.540 24.560 1.00 5.35 H new ATOM 0 HH11 ARG A 36 21.541 22.952 27.131 1.00 52.52 H new ATOM 0 HH12 ARG A 36 22.048 24.475 27.870 1.00 52.52 H new ATOM 0 HH21 ARG A 36 20.374 26.492 25.515 1.00 21.42 H new ATOM 0 HH22 ARG A 36 21.391 26.469 26.960 1.00 21.42 H new ATOM 583 N LYS A 37 16.909 24.428 22.936 1.00 74.45 N ATOM 584 CA LYS A 37 16.324 25.043 21.751 1.00 2.13 C ATOM 585 C LYS A 37 17.395 25.740 20.916 1.00 23.51 C ATOM 586 O LYS A 37 17.572 26.954 21.005 1.00 12.03 O ATOM 587 CB LYS A 37 15.242 26.047 22.153 1.00 21.11 C ATOM 588 CG LYS A 37 15.410 26.592 23.560 1.00 42.12 C ATOM 589 CD LYS A 37 16.715 27.356 23.710 1.00 34.31 C ATOM 590 CE LYS A 37 17.025 27.647 25.170 1.00 2.41 C ATOM 591 NZ LYS A 37 18.008 28.756 25.318 1.00 63.20 N ATOM 0 H LYS A 37 17.780 24.858 23.248 1.00 74.45 H new ATOM 0 HA LYS A 37 15.873 24.255 21.148 1.00 2.13 H new ATOM 0 HB2 LYS A 37 15.249 26.878 21.447 1.00 21.11 H new ATOM 0 HB3 LYS A 37 14.266 25.568 22.072 1.00 21.11 H new ATOM 0 HG2 LYS A 37 14.573 27.249 23.799 1.00 42.12 H new ATOM 0 HG3 LYS A 37 15.384 25.770 24.275 1.00 42.12 H new ATOM 0 HD2 LYS A 37 17.529 26.778 23.272 1.00 34.31 H new ATOM 0 HD3 LYS A 37 16.655 28.293 23.156 1.00 34.31 H new ATOM 0 HE2 LYS A 37 16.104 27.906 25.692 1.00 2.41 H new ATOM 0 HE3 LYS A 37 17.418 26.748 25.644 1.00 2.41 H new ATOM 0 HZ1 LYS A 37 18.193 28.924 26.328 1.00 63.20 H new ATOM 0 HZ2 LYS A 37 18.896 28.499 24.842 1.00 63.20 H new ATOM 0 HZ3 LYS A 37 17.623 29.621 24.888 1.00 63.20 H new ATOM 605 N GLY A 38 18.104 24.962 20.104 1.00 41.43 N ATOM 606 CA GLY A 38 19.147 25.524 19.265 1.00 30.02 C ATOM 607 C GLY A 38 19.713 24.511 18.288 1.00 64.44 C ATOM 608 O GLY A 38 20.154 23.434 18.687 1.00 11.01 O ATOM 0 H GLY A 38 17.975 23.954 20.012 1.00 41.43 H new ATOM 0 HA2 GLY A 38 18.746 26.373 18.712 1.00 30.02 H new ATOM 0 HA3 GLY A 38 19.951 25.905 19.895 1.00 30.02 H new ATOM 612 N ALA A 39 19.698 24.857 17.004 1.00 42.25 N ATOM 613 CA ALA A 39 20.213 23.971 15.969 1.00 72.22 C ATOM 614 C ALA A 39 21.672 23.611 16.230 1.00 33.40 C ATOM 615 O ALA A 39 22.030 22.436 16.284 1.00 13.32 O ATOM 616 CB ALA A 39 20.064 24.617 14.599 1.00 13.21 C ATOM 0 H ALA A 39 19.335 25.745 16.657 1.00 42.25 H new ATOM 0 HA ALA A 39 19.630 23.051 15.990 1.00 72.22 H new ATOM 0 HB1 ALA A 39 20.453 23.944 13.835 1.00 13.21 H new ATOM 0 HB2 ALA A 39 19.010 24.817 14.404 1.00 13.21 H new ATOM 0 HB3 ALA A 39 20.622 25.553 14.576 1.00 13.21 H new ATOM 622 N ASN A 40 22.508 24.630 16.391 1.00 43.41 N ATOM 623 CA ASN A 40 23.929 24.421 16.646 1.00 21.32 C ATOM 624 C ASN A 40 24.159 23.923 18.070 1.00 21.34 C ATOM 625 O ASN A 40 25.099 23.174 18.330 1.00 41.35 O ATOM 626 CB ASN A 40 24.707 25.719 16.415 1.00 15.12 C ATOM 627 CG ASN A 40 26.101 25.670 17.011 1.00 64.43 C ATOM 628 OD1 ASN A 40 26.825 24.690 16.845 1.00 51.33 O ATOM 629 ND2 ASN A 40 26.481 26.734 17.711 1.00 5.44 N ATOM 0 H ASN A 40 22.227 25.610 16.350 1.00 43.41 H new ATOM 0 HA ASN A 40 24.289 23.661 15.952 1.00 21.32 H new ATOM 0 HB2 ASN A 40 24.779 25.911 15.344 1.00 15.12 H new ATOM 0 HB3 ASN A 40 24.157 26.552 16.852 1.00 15.12 H new ATOM 0 HD21 ASN A 40 27.407 26.760 18.137 1.00 5.44 H new ATOM 0 HD22 ASN A 40 25.846 27.525 17.822 1.00 5.44 H new ATOM 636 N GLU A 41 23.293 24.345 18.985 1.00 73.54 N ATOM 637 CA GLU A 41 23.403 23.942 20.382 1.00 51.05 C ATOM 638 C GLU A 41 23.103 22.454 20.544 1.00 45.32 C ATOM 639 O GLU A 41 23.605 21.806 21.461 1.00 75.03 O ATOM 640 CB GLU A 41 22.446 24.763 21.250 1.00 24.12 C ATOM 641 CG GLU A 41 22.628 26.265 21.104 1.00 13.45 C ATOM 642 CD GLU A 41 23.237 26.901 22.338 1.00 65.43 C ATOM 643 OE1 GLU A 41 24.255 26.379 22.836 1.00 75.14 O ATOM 644 OE2 GLU A 41 22.692 27.924 22.805 1.00 43.33 O ATOM 0 H GLU A 41 22.508 24.965 18.785 1.00 73.54 H new ATOM 0 HA GLU A 41 24.427 24.127 20.707 1.00 51.05 H new ATOM 0 HB2 GLU A 41 21.420 24.503 20.990 1.00 24.12 H new ATOM 0 HB3 GLU A 41 22.590 24.488 22.295 1.00 24.12 H new ATOM 0 HG2 GLU A 41 23.265 26.468 20.243 1.00 13.45 H new ATOM 0 HG3 GLU A 41 21.661 26.726 20.901 1.00 13.45 H new ATOM 651 N ALA A 42 22.281 21.921 19.647 1.00 45.11 N ATOM 652 CA ALA A 42 21.916 20.511 19.688 1.00 54.13 C ATOM 653 C ALA A 42 23.155 19.623 19.733 1.00 1.21 C ATOM 654 O ALA A 42 23.138 18.544 20.324 1.00 51.22 O ATOM 655 CB ALA A 42 21.052 20.154 18.488 1.00 70.01 C ATOM 0 H ALA A 42 21.855 22.445 18.882 1.00 45.11 H new ATOM 0 HA ALA A 42 21.343 20.337 20.599 1.00 54.13 H new ATOM 0 HB1 ALA A 42 20.787 19.098 18.532 1.00 70.01 H new ATOM 0 HB2 ALA A 42 20.144 20.757 18.501 1.00 70.01 H new ATOM 0 HB3 ALA A 42 21.605 20.351 17.570 1.00 70.01 H new ATOM 661 N THR A 43 24.231 20.084 19.102 1.00 42.05 N ATOM 662 CA THR A 43 25.479 19.333 19.069 1.00 73.41 C ATOM 663 C THR A 43 26.023 19.108 20.475 1.00 12.31 C ATOM 664 O THR A 43 26.719 18.125 20.732 1.00 14.34 O ATOM 665 CB THR A 43 26.547 20.054 18.225 1.00 73.03 C ATOM 666 OG1 THR A 43 26.985 21.238 18.900 1.00 43.14 O ATOM 667 CG2 THR A 43 25.999 20.417 16.854 1.00 3.24 C ATOM 0 H THR A 43 24.262 20.975 18.607 1.00 42.05 H new ATOM 0 HA THR A 43 25.256 18.369 18.611 1.00 73.41 H new ATOM 0 HB THR A 43 27.392 19.378 18.092 1.00 73.03 H new ATOM 0 HG1 THR A 43 26.414 21.992 18.642 1.00 43.14 H new ATOM 0 HG21 THR A 43 26.771 20.925 16.276 1.00 3.24 H new ATOM 0 HG22 THR A 43 25.693 19.510 16.332 1.00 3.24 H new ATOM 0 HG23 THR A 43 25.139 21.077 16.969 1.00 3.24 H new ATOM 675 N LYS A 44 25.702 20.023 21.382 1.00 71.15 N ATOM 676 CA LYS A 44 26.156 19.924 22.764 1.00 11.43 C ATOM 677 C LYS A 44 25.646 18.642 23.414 1.00 52.43 C ATOM 678 O LYS A 44 26.413 17.896 24.025 1.00 12.13 O ATOM 679 CB LYS A 44 25.684 21.139 23.566 1.00 40.51 C ATOM 680 CG LYS A 44 26.205 22.461 23.030 1.00 73.04 C ATOM 681 CD LYS A 44 27.504 22.864 23.707 1.00 43.22 C ATOM 682 CE LYS A 44 27.626 24.375 23.825 1.00 4.52 C ATOM 683 NZ LYS A 44 28.471 24.776 24.984 1.00 70.34 N ATOM 0 H LYS A 44 25.128 20.843 21.185 1.00 71.15 H new ATOM 0 HA LYS A 44 27.246 19.900 22.761 1.00 11.43 H new ATOM 0 HB2 LYS A 44 24.594 21.161 23.568 1.00 40.51 H new ATOM 0 HB3 LYS A 44 26.002 21.026 24.602 1.00 40.51 H new ATOM 0 HG2 LYS A 44 26.364 22.381 21.955 1.00 73.04 H new ATOM 0 HG3 LYS A 44 25.456 23.238 23.185 1.00 73.04 H new ATOM 0 HD2 LYS A 44 27.553 22.416 24.699 1.00 43.22 H new ATOM 0 HD3 LYS A 44 28.348 22.473 23.139 1.00 43.22 H new ATOM 0 HE2 LYS A 44 28.055 24.777 22.907 1.00 4.52 H new ATOM 0 HE3 LYS A 44 26.633 24.812 23.931 1.00 4.52 H new ATOM 0 HZ1 LYS A 44 28.529 25.813 25.029 1.00 70.34 H new ATOM 0 HZ2 LYS A 44 28.049 24.414 25.863 1.00 70.34 H new ATOM 0 HZ3 LYS A 44 29.426 24.381 24.870 1.00 70.34 H new ATOM 697 N THR A 45 24.348 18.391 23.279 1.00 11.25 N ATOM 698 CA THR A 45 23.736 17.199 23.853 1.00 42.01 C ATOM 699 C THR A 45 24.434 15.935 23.368 1.00 51.43 C ATOM 700 O THR A 45 24.756 15.047 24.160 1.00 64.45 O ATOM 701 CB THR A 45 22.239 17.113 23.502 1.00 55.31 C ATOM 702 OG1 THR A 45 22.076 16.927 22.091 1.00 45.32 O ATOM 703 CG2 THR A 45 21.506 18.371 23.942 1.00 32.33 C ATOM 0 H THR A 45 23.700 18.998 22.777 1.00 11.25 H new ATOM 0 HA THR A 45 23.844 17.277 24.935 1.00 42.01 H new ATOM 0 HB THR A 45 21.813 16.261 24.031 1.00 55.31 H new ATOM 0 HG1 THR A 45 22.588 17.610 21.610 1.00 45.32 H new ATOM 0 HG21 THR A 45 20.451 18.286 23.683 1.00 32.33 H new ATOM 0 HG22 THR A 45 21.607 18.492 25.021 1.00 32.33 H new ATOM 0 HG23 THR A 45 21.935 19.237 23.438 1.00 32.33 H new ATOM 711 N LEU A 46 24.670 15.858 22.063 1.00 73.12 N ATOM 712 CA LEU A 46 25.332 14.700 21.471 1.00 43.15 C ATOM 713 C LEU A 46 26.775 14.592 21.955 1.00 73.44 C ATOM 714 O LEU A 46 27.292 13.494 22.155 1.00 63.32 O ATOM 715 CB LEU A 46 25.300 14.794 19.945 1.00 71.10 C ATOM 716 CG LEU A 46 24.761 13.567 19.209 1.00 23.41 C ATOM 717 CD1 LEU A 46 24.449 13.909 17.760 1.00 74.11 C ATOM 718 CD2 LEU A 46 25.757 12.419 19.285 1.00 60.30 C ATOM 0 H LEU A 46 24.413 16.584 21.394 1.00 73.12 H new ATOM 0 HA LEU A 46 24.794 13.805 21.785 1.00 43.15 H new ATOM 0 HB2 LEU A 46 24.693 15.656 19.667 1.00 71.10 H new ATOM 0 HB3 LEU A 46 26.312 14.989 19.592 1.00 71.10 H new ATOM 0 HG LEU A 46 23.837 13.253 19.694 1.00 23.41 H new ATOM 0 HD11 LEU A 46 24.067 13.024 17.252 1.00 74.11 H new ATOM 0 HD12 LEU A 46 23.699 14.699 17.726 1.00 74.11 H new ATOM 0 HD13 LEU A 46 25.357 14.249 17.263 1.00 74.11 H new ATOM 0 HD21 LEU A 46 25.357 11.554 18.756 1.00 60.30 H new ATOM 0 HD22 LEU A 46 26.698 12.722 18.825 1.00 60.30 H new ATOM 0 HD23 LEU A 46 25.931 12.157 20.329 1.00 60.30 H new ATOM 730 N ASN A 47 27.418 15.740 22.145 1.00 22.24 N ATOM 731 CA ASN A 47 28.800 15.775 22.607 1.00 34.21 C ATOM 732 C ASN A 47 28.966 14.956 23.883 1.00 51.54 C ATOM 733 O ASN A 47 29.834 14.086 23.966 1.00 74.23 O ATOM 734 CB ASN A 47 29.242 17.218 22.852 1.00 2.24 C ATOM 735 CG ASN A 47 30.749 17.351 22.963 1.00 65.20 C ATOM 736 OD1 ASN A 47 31.429 17.665 21.986 1.00 62.12 O ATOM 737 ND2 ASN A 47 31.277 17.112 24.157 1.00 14.43 N ATOM 0 H ASN A 47 27.003 16.658 21.986 1.00 22.24 H new ATOM 0 HA ASN A 47 29.428 15.338 21.831 1.00 34.21 H new ATOM 0 HB2 ASN A 47 28.884 17.848 22.038 1.00 2.24 H new ATOM 0 HB3 ASN A 47 28.779 17.586 23.768 1.00 2.24 H new ATOM 0 HD21 ASN A 47 32.285 17.186 24.293 1.00 14.43 H new ATOM 0 HD22 ASN A 47 30.675 16.855 24.939 1.00 14.43 H new ATOM 744 N ARG A 48 28.131 15.242 24.876 1.00 34.31 N ATOM 745 CA ARG A 48 28.185 14.532 26.149 1.00 43.44 C ATOM 746 C ARG A 48 27.612 13.126 26.013 1.00 14.24 C ATOM 747 O ARG A 48 27.949 12.229 26.787 1.00 63.51 O ATOM 748 CB ARG A 48 27.417 15.307 27.222 1.00 71.51 C ATOM 749 CG ARG A 48 28.226 16.419 27.868 1.00 1.52 C ATOM 750 CD ARG A 48 28.420 17.591 26.918 1.00 30.23 C ATOM 751 NE ARG A 48 29.150 18.689 27.545 1.00 51.42 N ATOM 752 CZ ARG A 48 29.696 19.692 26.866 1.00 31.12 C ATOM 753 NH1 ARG A 48 29.594 19.734 25.545 1.00 21.20 N ATOM 754 NH2 ARG A 48 30.345 20.654 27.509 1.00 23.12 N ATOM 0 H ARG A 48 27.409 15.960 24.824 1.00 34.31 H new ATOM 0 HA ARG A 48 29.230 14.451 26.447 1.00 43.44 H new ATOM 0 HB2 ARG A 48 26.519 15.735 26.776 1.00 71.51 H new ATOM 0 HB3 ARG A 48 27.089 14.612 27.995 1.00 71.51 H new ATOM 0 HG2 ARG A 48 27.720 16.761 28.771 1.00 1.52 H new ATOM 0 HG3 ARG A 48 29.198 16.033 28.174 1.00 1.52 H new ATOM 0 HD2 ARG A 48 28.961 17.255 26.033 1.00 30.23 H new ATOM 0 HD3 ARG A 48 27.447 17.949 26.580 1.00 30.23 H new ATOM 0 HE ARG A 48 29.246 18.686 28.560 1.00 51.42 H new ATOM 0 HH11 ARG A 48 29.096 18.996 25.048 1.00 21.20 H new ATOM 0 HH12 ARG A 48 30.014 20.505 25.025 1.00 21.20 H new ATOM 0 HH21 ARG A 48 30.425 20.624 28.525 1.00 23.12 H new ATOM 0 HH22 ARG A 48 30.764 21.424 26.987 1.00 23.12 H new ATOM 768 N GLY A 49 26.743 12.939 25.024 1.00 15.52 N ATOM 769 CA GLY A 49 26.137 11.639 24.804 1.00 55.13 C ATOM 770 C GLY A 49 25.167 11.258 25.906 1.00 2.41 C ATOM 771 O GLY A 49 25.173 10.122 26.382 1.00 23.20 O ATOM 0 H GLY A 49 26.448 13.665 24.371 1.00 15.52 H new ATOM 0 HA2 GLY A 49 25.613 11.643 23.848 1.00 55.13 H new ATOM 0 HA3 GLY A 49 26.920 10.883 24.736 1.00 55.13 H new ATOM 775 N ILE A 50 24.335 12.210 26.314 1.00 74.13 N ATOM 776 CA ILE A 50 23.356 11.968 27.366 1.00 71.35 C ATOM 777 C ILE A 50 21.947 12.316 26.898 1.00 73.05 C ATOM 778 O ILE A 50 21.052 12.549 27.711 1.00 31.24 O ATOM 779 CB ILE A 50 23.680 12.782 28.633 1.00 74.45 C ATOM 780 CG1 ILE A 50 24.264 14.144 28.256 1.00 22.25 C ATOM 781 CG2 ILE A 50 24.645 12.014 29.524 1.00 70.13 C ATOM 782 CD1 ILE A 50 23.341 14.980 27.395 1.00 54.23 C ATOM 0 H ILE A 50 24.319 13.156 25.932 1.00 74.13 H new ATOM 0 HA ILE A 50 23.404 10.905 27.604 1.00 71.35 H new ATOM 0 HB ILE A 50 22.756 12.945 29.187 1.00 74.45 H new ATOM 0 HG12 ILE A 50 24.496 14.695 29.167 1.00 22.25 H new ATOM 0 HG13 ILE A 50 25.204 13.993 27.726 1.00 22.25 H new ATOM 0 HG21 ILE A 50 24.864 12.602 30.415 1.00 70.13 H new ATOM 0 HG22 ILE A 50 24.194 11.066 29.817 1.00 70.13 H new ATOM 0 HG23 ILE A 50 25.569 11.823 28.979 1.00 70.13 H new ATOM 0 HD11 ILE A 50 23.820 15.932 27.166 1.00 54.23 H new ATOM 0 HD12 ILE A 50 23.128 14.449 26.467 1.00 54.23 H new ATOM 0 HD13 ILE A 50 22.409 15.162 27.931 1.00 54.23 H new ATOM 794 N SER A 51 21.758 12.349 25.583 1.00 13.23 N ATOM 795 CA SER A 51 20.459 12.671 25.005 1.00 74.20 C ATOM 796 C SER A 51 19.629 11.407 24.797 1.00 63.05 C ATOM 797 O SER A 51 20.172 10.315 24.637 1.00 2.42 O ATOM 798 CB SER A 51 20.635 13.403 23.674 1.00 41.31 C ATOM 799 OG SER A 51 19.387 13.827 23.155 1.00 31.33 O ATOM 0 H SER A 51 22.488 12.157 24.898 1.00 13.23 H new ATOM 0 HA SER A 51 19.931 13.322 25.702 1.00 74.20 H new ATOM 0 HB2 SER A 51 21.286 14.266 23.814 1.00 41.31 H new ATOM 0 HB3 SER A 51 21.126 12.746 22.956 1.00 41.31 H new ATOM 0 HG SER A 51 18.782 14.045 23.895 1.00 31.33 H new ATOM 805 N GLU A 52 18.309 11.566 24.802 1.00 0.24 N ATOM 806 CA GLU A 52 17.404 10.439 24.613 1.00 72.15 C ATOM 807 C GLU A 52 16.817 10.441 23.205 1.00 74.04 C ATOM 808 O GLU A 52 16.791 9.412 22.530 1.00 34.12 O ATOM 809 CB GLU A 52 16.276 10.483 25.647 1.00 40.24 C ATOM 810 CG GLU A 52 16.467 9.510 26.799 1.00 3.24 C ATOM 811 CD GLU A 52 17.896 9.478 27.305 1.00 52.23 C ATOM 812 OE1 GLU A 52 18.534 10.552 27.349 1.00 13.25 O ATOM 813 OE2 GLU A 52 18.378 8.380 27.657 1.00 43.15 O ATOM 0 H GLU A 52 17.843 12.464 24.935 1.00 0.24 H new ATOM 0 HA GLU A 52 17.976 9.521 24.748 1.00 72.15 H new ATOM 0 HB2 GLU A 52 16.200 11.495 26.046 1.00 40.24 H new ATOM 0 HB3 GLU A 52 15.331 10.264 25.150 1.00 40.24 H new ATOM 0 HG2 GLU A 52 15.802 9.786 27.617 1.00 3.24 H new ATOM 0 HG3 GLU A 52 16.177 8.510 26.477 1.00 3.24 H new ATOM 820 N PHE A 53 16.346 11.604 22.769 1.00 23.01 N ATOM 821 CA PHE A 53 15.757 11.741 21.440 1.00 55.45 C ATOM 822 C PHE A 53 15.708 13.206 21.017 1.00 34.51 C ATOM 823 O PHE A 53 15.955 14.104 21.821 1.00 50.31 O ATOM 824 CB PHE A 53 14.349 11.143 21.421 1.00 21.52 C ATOM 825 CG PHE A 53 13.332 11.983 22.139 1.00 23.45 C ATOM 826 CD1 PHE A 53 13.440 12.212 23.501 1.00 74.32 C ATOM 827 CD2 PHE A 53 12.267 12.544 21.452 1.00 14.12 C ATOM 828 CE1 PHE A 53 12.504 12.983 24.164 1.00 60.11 C ATOM 829 CE2 PHE A 53 11.329 13.316 22.109 1.00 61.14 C ATOM 830 CZ PHE A 53 11.448 13.537 23.467 1.00 73.14 C ATOM 0 H PHE A 53 16.360 12.465 23.315 1.00 23.01 H new ATOM 0 HA PHE A 53 16.383 11.198 20.732 1.00 55.45 H new ATOM 0 HB2 PHE A 53 14.033 11.010 20.386 1.00 21.52 H new ATOM 0 HB3 PHE A 53 14.377 10.153 21.876 1.00 21.52 H new ATOM 0 HD1 PHE A 53 14.265 11.783 24.051 1.00 74.32 H new ATOM 0 HD2 PHE A 53 12.169 12.375 20.390 1.00 14.12 H new ATOM 0 HE1 PHE A 53 12.598 13.152 25.226 1.00 60.11 H new ATOM 0 HE2 PHE A 53 10.504 13.746 21.561 1.00 61.14 H new ATOM 0 HZ PHE A 53 10.717 14.142 23.983 1.00 73.14 H new ATOM 840 N ILE A 54 15.386 13.437 19.748 1.00 12.23 N ATOM 841 CA ILE A 54 15.303 14.792 19.217 1.00 53.21 C ATOM 842 C ILE A 54 14.008 14.998 18.438 1.00 71.51 C ATOM 843 O ILE A 54 13.513 14.083 17.780 1.00 0.53 O ATOM 844 CB ILE A 54 16.498 15.110 18.298 1.00 74.31 C ATOM 845 CG1 ILE A 54 17.816 14.852 19.031 1.00 60.35 C ATOM 846 CG2 ILE A 54 16.426 16.552 17.818 1.00 22.34 C ATOM 847 CD1 ILE A 54 18.029 15.755 20.226 1.00 14.24 C ATOM 0 H ILE A 54 15.179 12.704 19.070 1.00 12.23 H new ATOM 0 HA ILE A 54 15.322 15.468 20.072 1.00 53.21 H new ATOM 0 HB ILE A 54 16.454 14.455 17.428 1.00 74.31 H new ATOM 0 HG12 ILE A 54 17.842 13.814 19.361 1.00 60.35 H new ATOM 0 HG13 ILE A 54 18.643 14.985 18.333 1.00 60.35 H new ATOM 0 HG21 ILE A 54 17.277 16.763 17.170 1.00 22.34 H new ATOM 0 HG22 ILE A 54 15.500 16.705 17.263 1.00 22.34 H new ATOM 0 HG23 ILE A 54 16.450 17.223 18.677 1.00 22.34 H new ATOM 0 HD11 ILE A 54 18.983 15.516 20.697 1.00 14.24 H new ATOM 0 HD12 ILE A 54 18.036 16.795 19.900 1.00 14.24 H new ATOM 0 HD13 ILE A 54 17.222 15.605 20.944 1.00 14.24 H new ATOM 859 N VAL A 55 13.463 16.208 18.517 1.00 70.13 N ATOM 860 CA VAL A 55 12.227 16.537 17.818 1.00 3.35 C ATOM 861 C VAL A 55 12.378 17.821 17.009 1.00 73.30 C ATOM 862 O VAL A 55 13.004 18.779 17.459 1.00 14.54 O ATOM 863 CB VAL A 55 11.052 16.697 18.800 1.00 40.14 C ATOM 864 CG1 VAL A 55 9.779 17.069 18.055 1.00 43.41 C ATOM 865 CG2 VAL A 55 10.854 15.422 19.606 1.00 2.32 C ATOM 0 H VAL A 55 13.859 16.977 19.058 1.00 70.13 H new ATOM 0 HA VAL A 55 12.015 15.708 17.142 1.00 3.35 H new ATOM 0 HB VAL A 55 11.288 17.505 19.492 1.00 40.14 H new ATOM 0 HG11 VAL A 55 8.960 17.178 18.766 1.00 43.41 H new ATOM 0 HG12 VAL A 55 9.928 18.011 17.527 1.00 43.41 H new ATOM 0 HG13 VAL A 55 9.535 16.286 17.338 1.00 43.41 H new ATOM 0 HG21 VAL A 55 10.020 15.553 20.295 1.00 2.32 H new ATOM 0 HG22 VAL A 55 10.640 14.594 18.930 1.00 2.32 H new ATOM 0 HG23 VAL A 55 11.760 15.204 20.171 1.00 2.32 H new ATOM 875 N MET A 56 11.798 17.831 15.813 1.00 64.41 N ATOM 876 CA MET A 56 11.866 19.000 14.942 1.00 33.25 C ATOM 877 C MET A 56 10.592 19.134 14.113 1.00 45.43 C ATOM 878 O MET A 56 9.684 18.311 14.216 1.00 65.12 O ATOM 879 CB MET A 56 13.082 18.903 14.018 1.00 75.50 C ATOM 880 CG MET A 56 14.366 18.532 14.742 1.00 42.35 C ATOM 881 SD MET A 56 15.792 18.474 13.640 1.00 30.04 S ATOM 882 CE MET A 56 15.363 17.076 12.605 1.00 44.41 C ATOM 0 H MET A 56 11.277 17.045 15.425 1.00 64.41 H new ATOM 0 HA MET A 56 11.965 19.886 15.570 1.00 33.25 H new ATOM 0 HB2 MET A 56 12.883 18.161 13.245 1.00 75.50 H new ATOM 0 HB3 MET A 56 13.222 19.859 13.513 1.00 75.50 H new ATOM 0 HG2 MET A 56 14.554 19.256 15.535 1.00 42.35 H new ATOM 0 HG3 MET A 56 14.241 17.560 15.220 1.00 42.35 H new ATOM 0 HE1 MET A 56 16.272 16.624 12.209 1.00 44.41 H new ATOM 0 HE2 MET A 56 14.819 16.339 13.196 1.00 44.41 H new ATOM 0 HE3 MET A 56 14.737 17.413 11.779 1.00 44.41 H new ATOM 892 N ALA A 57 10.534 20.177 13.292 1.00 61.33 N ATOM 893 CA ALA A 57 9.373 20.419 12.445 1.00 1.44 C ATOM 894 C ALA A 57 9.604 19.887 11.034 1.00 25.34 C ATOM 895 O ALA A 57 10.635 20.158 10.419 1.00 33.22 O ATOM 896 CB ALA A 57 9.049 21.905 12.405 1.00 33.52 C ATOM 0 H ALA A 57 11.278 20.868 13.195 1.00 61.33 H new ATOM 0 HA ALA A 57 8.524 19.885 12.872 1.00 1.44 H new ATOM 0 HB1 ALA A 57 8.180 22.071 11.769 1.00 33.52 H new ATOM 0 HB2 ALA A 57 8.833 22.258 13.414 1.00 33.52 H new ATOM 0 HB3 ALA A 57 9.902 22.453 12.004 1.00 33.52 H new ATOM 902 N ALA A 58 8.636 19.131 10.527 1.00 13.24 N ATOM 903 CA ALA A 58 8.733 18.562 9.187 1.00 43.21 C ATOM 904 C ALA A 58 8.927 19.654 8.140 1.00 52.44 C ATOM 905 O ALA A 58 9.453 19.402 7.056 1.00 34.01 O ATOM 906 CB ALA A 58 7.493 17.740 8.871 1.00 73.41 C ATOM 0 H ALA A 58 7.776 18.898 11.023 1.00 13.24 H new ATOM 0 HA ALA A 58 9.605 17.909 9.159 1.00 43.21 H new ATOM 0 HB1 ALA A 58 7.580 17.322 7.868 1.00 73.41 H new ATOM 0 HB2 ALA A 58 7.399 16.931 9.595 1.00 73.41 H new ATOM 0 HB3 ALA A 58 6.611 18.378 8.923 1.00 73.41 H new ATOM 912 N ASP A 59 8.499 20.867 8.472 1.00 0.11 N ATOM 913 CA ASP A 59 8.625 21.998 7.560 1.00 45.31 C ATOM 914 C ASP A 59 9.462 23.110 8.187 1.00 73.33 C ATOM 915 O ASP A 59 9.203 24.294 7.967 1.00 13.21 O ATOM 916 CB ASP A 59 7.244 22.534 7.182 1.00 70.21 C ATOM 917 CG ASP A 59 6.519 21.627 6.206 1.00 40.32 C ATOM 918 OD1 ASP A 59 6.921 21.587 5.024 1.00 41.41 O ATOM 919 OD2 ASP A 59 5.550 20.960 6.623 1.00 13.04 O ATOM 0 H ASP A 59 8.062 21.092 9.366 1.00 0.11 H new ATOM 0 HA ASP A 59 9.130 21.651 6.658 1.00 45.31 H new ATOM 0 HB2 ASP A 59 6.642 22.648 8.084 1.00 70.21 H new ATOM 0 HB3 ASP A 59 7.350 23.526 6.742 1.00 70.21 H new ATOM 924 N ALA A 60 10.462 22.722 8.969 1.00 12.51 N ATOM 925 CA ALA A 60 11.337 23.686 9.627 1.00 35.34 C ATOM 926 C ALA A 60 12.633 23.873 8.847 1.00 15.23 C ATOM 927 O ALA A 60 13.283 22.900 8.463 1.00 33.30 O ATOM 928 CB ALA A 60 11.634 23.242 11.052 1.00 15.54 C ATOM 0 H ALA A 60 10.688 21.746 9.163 1.00 12.51 H new ATOM 0 HA ALA A 60 10.822 24.646 9.658 1.00 35.34 H new ATOM 0 HB1 ALA A 60 12.288 23.971 11.531 1.00 15.54 H new ATOM 0 HB2 ALA A 60 10.702 23.168 11.612 1.00 15.54 H new ATOM 0 HB3 ALA A 60 12.125 22.269 11.035 1.00 15.54 H new ATOM 934 N GLU A 61 13.004 25.128 8.616 1.00 33.25 N ATOM 935 CA GLU A 61 14.223 25.441 7.879 1.00 75.44 C ATOM 936 C GLU A 61 15.068 26.461 8.635 1.00 52.24 C ATOM 937 O GLU A 61 14.589 27.169 9.521 1.00 72.52 O ATOM 938 CB GLU A 61 13.881 25.976 6.487 1.00 44.34 C ATOM 939 CG GLU A 61 13.956 24.924 5.394 1.00 54.12 C ATOM 940 CD GLU A 61 14.917 25.302 4.284 1.00 71.34 C ATOM 941 OE1 GLU A 61 14.795 26.425 3.752 1.00 23.42 O ATOM 942 OE2 GLU A 61 15.791 24.476 3.948 1.00 10.12 O ATOM 0 H GLU A 61 12.478 25.944 8.928 1.00 33.25 H new ATOM 0 HA GLU A 61 14.800 24.522 7.775 1.00 75.44 H new ATOM 0 HB2 GLU A 61 12.876 26.397 6.506 1.00 44.34 H new ATOM 0 HB3 GLU A 61 14.563 26.791 6.243 1.00 44.34 H new ATOM 0 HG2 GLU A 61 14.266 23.974 5.830 1.00 54.12 H new ATOM 0 HG3 GLU A 61 12.962 24.772 4.973 1.00 54.12 H new ATOM 949 N PRO A 62 16.359 26.539 8.280 1.00 15.20 N ATOM 950 CA PRO A 62 16.943 25.701 7.229 1.00 0.04 C ATOM 951 C PRO A 62 17.044 24.237 7.643 1.00 72.41 C ATOM 952 O PRO A 62 17.266 23.926 8.814 1.00 31.04 O ATOM 953 CB PRO A 62 18.338 26.298 7.032 1.00 51.41 C ATOM 954 CG PRO A 62 18.659 26.950 8.333 1.00 34.23 C ATOM 955 CD PRO A 62 17.350 27.450 8.878 1.00 64.03 C ATOM 0 HA PRO A 62 16.334 25.699 6.325 1.00 0.04 H new ATOM 0 HB2 PRO A 62 19.067 25.527 6.785 1.00 51.41 H new ATOM 0 HB3 PRO A 62 18.348 27.019 6.215 1.00 51.41 H new ATOM 0 HG2 PRO A 62 19.123 26.243 9.020 1.00 34.23 H new ATOM 0 HG3 PRO A 62 19.364 27.770 8.195 1.00 34.23 H new ATOM 0 HD2 PRO A 62 17.327 27.410 9.967 1.00 64.03 H new ATOM 0 HD3 PRO A 62 17.166 28.486 8.594 1.00 64.03 H new ATOM 963 N LEU A 63 16.880 23.341 6.676 1.00 11.31 N ATOM 964 CA LEU A 63 16.954 21.908 6.941 1.00 31.31 C ATOM 965 C LEU A 63 18.371 21.388 6.732 1.00 14.33 C ATOM 966 O LEU A 63 18.760 20.370 7.305 1.00 42.13 O ATOM 967 CB LEU A 63 15.981 21.151 6.034 1.00 52.21 C ATOM 968 CG LEU A 63 15.303 19.927 6.649 1.00 73.42 C ATOM 969 CD1 LEU A 63 13.994 20.321 7.316 1.00 15.10 C ATOM 970 CD2 LEU A 63 15.064 18.861 5.591 1.00 14.43 C ATOM 0 H LEU A 63 16.695 23.581 5.702 1.00 11.31 H new ATOM 0 HA LEU A 63 16.676 21.741 7.982 1.00 31.31 H new ATOM 0 HB2 LEU A 63 15.206 21.845 5.707 1.00 52.21 H new ATOM 0 HB3 LEU A 63 16.520 20.833 5.142 1.00 52.21 H new ATOM 0 HG LEU A 63 15.965 19.513 7.410 1.00 73.42 H new ATOM 0 HD11 LEU A 63 13.525 19.437 7.748 1.00 15.10 H new ATOM 0 HD12 LEU A 63 14.191 21.049 8.103 1.00 15.10 H new ATOM 0 HD13 LEU A 63 13.326 20.760 6.575 1.00 15.10 H new ATOM 0 HD21 LEU A 63 14.581 17.997 6.047 1.00 14.43 H new ATOM 0 HD22 LEU A 63 14.422 19.264 4.807 1.00 14.43 H new ATOM 0 HD23 LEU A 63 16.017 18.557 5.159 1.00 14.43 H new ATOM 982 N GLU A 64 19.140 22.093 5.908 1.00 11.32 N ATOM 983 CA GLU A 64 20.516 21.701 5.625 1.00 44.30 C ATOM 984 C GLU A 64 21.341 21.650 6.907 1.00 0.42 C ATOM 985 O GLU A 64 22.062 20.683 7.155 1.00 31.20 O ATOM 986 CB GLU A 64 21.153 22.679 4.634 1.00 15.25 C ATOM 987 CG GLU A 64 20.981 22.269 3.180 1.00 75.03 C ATOM 988 CD GLU A 64 21.579 23.275 2.216 1.00 21.21 C ATOM 989 OE1 GLU A 64 21.528 24.486 2.514 1.00 71.23 O ATOM 990 OE2 GLU A 64 22.098 22.850 1.162 1.00 54.55 O ATOM 0 H GLU A 64 18.834 22.938 5.425 1.00 11.32 H new ATOM 0 HA GLU A 64 20.501 20.705 5.184 1.00 44.30 H new ATOM 0 HB2 GLU A 64 20.715 23.667 4.779 1.00 15.25 H new ATOM 0 HB3 GLU A 64 22.217 22.766 4.855 1.00 15.25 H new ATOM 0 HG2 GLU A 64 21.449 21.297 3.022 1.00 75.03 H new ATOM 0 HG3 GLU A 64 19.919 22.150 2.963 1.00 75.03 H new ATOM 997 N ILE A 65 21.231 22.697 7.717 1.00 45.43 N ATOM 998 CA ILE A 65 21.967 22.772 8.972 1.00 41.45 C ATOM 999 C ILE A 65 21.679 21.559 9.851 1.00 0.11 C ATOM 1000 O ILE A 65 22.566 21.055 10.541 1.00 65.12 O ATOM 1001 CB ILE A 65 21.619 24.053 9.754 1.00 74.23 C ATOM 1002 CG1 ILE A 65 21.928 25.291 8.912 1.00 40.45 C ATOM 1003 CG2 ILE A 65 22.382 24.094 11.070 1.00 23.12 C ATOM 1004 CD1 ILE A 65 21.596 26.593 9.606 1.00 61.34 C ATOM 0 H ILE A 65 20.639 23.505 7.526 1.00 45.43 H new ATOM 0 HA ILE A 65 23.026 22.789 8.716 1.00 41.45 H new ATOM 0 HB ILE A 65 20.552 24.047 9.976 1.00 74.23 H new ATOM 0 HG12 ILE A 65 22.986 25.288 8.651 1.00 40.45 H new ATOM 0 HG13 ILE A 65 21.369 25.234 7.978 1.00 40.45 H new ATOM 0 HG21 ILE A 65 22.126 25.005 11.611 1.00 23.12 H new ATOM 0 HG22 ILE A 65 22.114 23.226 11.673 1.00 23.12 H new ATOM 0 HG23 ILE A 65 23.453 24.080 10.870 1.00 23.12 H new ATOM 0 HD11 ILE A 65 21.841 27.428 8.950 1.00 61.34 H new ATOM 0 HD12 ILE A 65 20.532 26.618 9.843 1.00 61.34 H new ATOM 0 HD13 ILE A 65 22.175 26.673 10.526 1.00 61.34 H new ATOM 1016 N ILE A 66 20.435 21.095 9.819 1.00 33.33 N ATOM 1017 CA ILE A 66 20.031 19.939 10.610 1.00 43.32 C ATOM 1018 C ILE A 66 20.887 18.721 10.281 1.00 11.24 C ATOM 1019 O ILE A 66 21.136 17.872 11.138 1.00 42.03 O ATOM 1020 CB ILE A 66 18.549 19.589 10.378 1.00 54.52 C ATOM 1021 CG1 ILE A 66 17.659 20.782 10.729 1.00 72.03 C ATOM 1022 CG2 ILE A 66 18.159 18.370 11.201 1.00 15.13 C ATOM 1023 CD1 ILE A 66 16.186 20.522 10.510 1.00 71.11 C ATOM 0 H ILE A 66 19.689 21.501 9.254 1.00 33.33 H new ATOM 0 HA ILE A 66 20.173 20.207 11.657 1.00 43.32 H new ATOM 0 HB ILE A 66 18.407 19.353 9.323 1.00 54.52 H new ATOM 0 HG12 ILE A 66 17.821 21.051 11.773 1.00 72.03 H new ATOM 0 HG13 ILE A 66 17.961 21.640 10.128 1.00 72.03 H new ATOM 0 HG21 ILE A 66 17.109 18.134 11.027 1.00 15.13 H new ATOM 0 HG22 ILE A 66 18.775 17.520 10.907 1.00 15.13 H new ATOM 0 HG23 ILE A 66 18.313 18.581 12.259 1.00 15.13 H new ATOM 0 HD11 ILE A 66 15.616 21.411 10.779 1.00 71.11 H new ATOM 0 HD12 ILE A 66 16.011 20.283 9.461 1.00 71.11 H new ATOM 0 HD13 ILE A 66 15.868 19.685 11.131 1.00 71.11 H new ATOM 1035 N LEU A 67 21.338 18.642 9.034 1.00 12.22 N ATOM 1036 CA LEU A 67 22.170 17.529 8.590 1.00 15.33 C ATOM 1037 C LEU A 67 23.554 17.594 9.227 1.00 74.32 C ATOM 1038 O LEU A 67 24.331 16.642 9.149 1.00 2.13 O ATOM 1039 CB LEU A 67 22.297 17.536 7.065 1.00 44.23 C ATOM 1040 CG LEU A 67 22.283 16.168 6.383 1.00 3.31 C ATOM 1041 CD1 LEU A 67 21.524 16.236 5.067 1.00 71.31 C ATOM 1042 CD2 LEU A 67 23.703 15.670 6.157 1.00 10.15 C ATOM 0 H LEU A 67 21.142 19.335 8.312 1.00 12.22 H new ATOM 0 HA LEU A 67 21.689 16.602 8.904 1.00 15.33 H new ATOM 0 HB2 LEU A 67 21.481 18.132 6.655 1.00 44.23 H new ATOM 0 HB3 LEU A 67 23.225 18.042 6.800 1.00 44.23 H new ATOM 0 HG LEU A 67 21.772 15.462 7.038 1.00 3.31 H new ATOM 0 HD11 LEU A 67 21.524 15.253 4.596 1.00 71.31 H new ATOM 0 HD12 LEU A 67 20.497 16.548 5.255 1.00 71.31 H new ATOM 0 HD13 LEU A 67 22.006 16.956 4.406 1.00 71.31 H new ATOM 0 HD21 LEU A 67 23.674 14.695 5.671 1.00 10.15 H new ATOM 0 HD22 LEU A 67 24.239 16.376 5.523 1.00 10.15 H new ATOM 0 HD23 LEU A 67 24.215 15.582 7.115 1.00 10.15 H new ATOM 1054 N HIS A 68 23.855 18.723 9.862 1.00 31.21 N ATOM 1055 CA HIS A 68 25.145 18.912 10.516 1.00 64.50 C ATOM 1056 C HIS A 68 25.223 18.103 11.807 1.00 30.14 C ATOM 1057 O HIS A 68 26.308 17.720 12.247 1.00 61.53 O ATOM 1058 CB HIS A 68 25.376 20.393 10.815 1.00 4.12 C ATOM 1059 CG HIS A 68 26.812 20.737 11.065 1.00 50.32 C ATOM 1060 ND1 HIS A 68 27.854 20.188 10.346 1.00 65.43 N ATOM 1061 CD2 HIS A 68 27.378 21.580 11.960 1.00 12.12 C ATOM 1062 CE1 HIS A 68 28.997 20.678 10.790 1.00 12.23 C ATOM 1063 NE2 HIS A 68 28.737 21.525 11.769 1.00 34.51 N ATOM 0 H HIS A 68 23.223 19.520 9.937 1.00 31.21 H new ATOM 0 HA HIS A 68 25.923 18.559 9.839 1.00 64.50 H new ATOM 0 HB2 HIS A 68 25.010 20.986 9.977 1.00 4.12 H new ATOM 0 HB3 HIS A 68 24.786 20.675 11.687 1.00 4.12 H new ATOM 0 HD2 HIS A 68 26.858 22.184 12.689 1.00 12.12 H new ATOM 0 HE1 HIS A 68 29.979 20.428 10.416 1.00 12.23 H new ATOM 0 HE2 HIS A 68 29.432 22.052 12.297 1.00 34.51 H new ATOM 1071 N LEU A 69 24.067 17.846 12.408 1.00 75.35 N ATOM 1072 CA LEU A 69 24.003 17.081 13.650 1.00 41.44 C ATOM 1073 C LEU A 69 24.495 15.653 13.436 1.00 21.33 C ATOM 1074 O LEU A 69 25.457 15.202 14.057 1.00 23.14 O ATOM 1075 CB LEU A 69 22.573 17.066 14.190 1.00 73.31 C ATOM 1076 CG LEU A 69 22.270 18.056 15.315 1.00 74.51 C ATOM 1077 CD1 LEU A 69 20.956 18.776 15.051 1.00 54.15 C ATOM 1078 CD2 LEU A 69 22.227 17.342 16.659 1.00 3.54 C ATOM 0 H LEU A 69 23.161 18.156 12.056 1.00 75.35 H new ATOM 0 HA LEU A 69 24.654 17.564 14.379 1.00 41.44 H new ATOM 0 HB2 LEU A 69 21.892 17.267 13.363 1.00 73.31 H new ATOM 0 HB3 LEU A 69 22.352 16.061 14.548 1.00 73.31 H new ATOM 0 HG LEU A 69 23.069 18.797 15.346 1.00 74.51 H new ATOM 0 HD11 LEU A 69 20.756 19.477 15.862 1.00 54.15 H new ATOM 0 HD12 LEU A 69 21.022 19.320 14.109 1.00 54.15 H new ATOM 0 HD13 LEU A 69 20.147 18.048 14.993 1.00 54.15 H new ATOM 0 HD21 LEU A 69 22.010 18.063 17.447 1.00 3.54 H new ATOM 0 HD22 LEU A 69 21.449 16.579 16.641 1.00 3.54 H new ATOM 0 HD23 LEU A 69 23.191 16.872 16.852 1.00 3.54 H new ATOM 1090 N PRO A 70 23.820 14.924 12.534 1.00 60.13 N ATOM 1091 CA PRO A 70 24.171 13.538 12.215 1.00 55.25 C ATOM 1092 C PRO A 70 25.490 13.433 11.457 1.00 60.23 C ATOM 1093 O PRO A 70 25.686 14.096 10.438 1.00 43.44 O ATOM 1094 CB PRO A 70 23.009 13.071 11.334 1.00 2.05 C ATOM 1095 CG PRO A 70 22.470 14.320 10.726 1.00 73.14 C ATOM 1096 CD PRO A 70 22.662 15.398 11.757 1.00 41.11 C ATOM 0 HA PRO A 70 24.311 12.937 13.113 1.00 55.25 H new ATOM 0 HB2 PRO A 70 23.348 12.372 10.569 1.00 2.05 H new ATOM 0 HB3 PRO A 70 22.249 12.556 11.921 1.00 2.05 H new ATOM 0 HG2 PRO A 70 22.997 14.564 9.803 1.00 73.14 H new ATOM 0 HG3 PRO A 70 21.416 14.207 10.471 1.00 73.14 H new ATOM 0 HD2 PRO A 70 22.857 16.366 11.295 1.00 41.11 H new ATOM 0 HD3 PRO A 70 21.778 15.516 12.384 1.00 41.11 H new ATOM 1232 N PRO A 79 19.074 9.976 16.888 1.00 32.41 N ATOM 1233 CA PRO A 79 17.613 10.001 17.009 1.00 34.41 C ATOM 1234 C PRO A 79 16.988 11.167 16.250 1.00 74.11 C ATOM 1235 O PRO A 79 17.543 12.265 16.215 1.00 5.44 O ATOM 1236 CB PRO A 79 17.384 10.159 18.515 1.00 15.35 C ATOM 1237 CG PRO A 79 18.620 10.820 19.018 1.00 12.42 C ATOM 1238 CD PRO A 79 19.742 10.312 18.155 1.00 52.42 C ATOM 0 HA PRO A 79 17.154 9.108 16.586 1.00 34.41 H new ATOM 0 HB2 PRO A 79 16.500 10.763 18.720 1.00 15.35 H new ATOM 0 HB3 PRO A 79 17.228 9.193 18.995 1.00 15.35 H new ATOM 0 HG2 PRO A 79 18.537 11.905 18.952 1.00 12.42 H new ATOM 0 HG3 PRO A 79 18.793 10.577 20.066 1.00 12.42 H new ATOM 0 HD2 PRO A 79 20.514 11.068 18.014 1.00 52.42 H new ATOM 0 HD3 PRO A 79 20.226 9.441 18.597 1.00 52.42 H new ATOM 1246 N TYR A 80 15.831 10.921 15.646 1.00 73.42 N ATOM 1247 CA TYR A 80 15.132 11.950 14.887 1.00 22.33 C ATOM 1248 C TYR A 80 13.664 11.581 14.690 1.00 52.40 C ATOM 1249 O TYR A 80 13.327 10.413 14.490 1.00 44.35 O ATOM 1250 CB TYR A 80 15.804 12.156 13.528 1.00 71.45 C ATOM 1251 CG TYR A 80 16.903 13.194 13.548 1.00 1.30 C ATOM 1252 CD1 TYR A 80 16.674 14.468 14.053 1.00 40.23 C ATOM 1253 CD2 TYR A 80 18.171 12.901 13.060 1.00 61.13 C ATOM 1254 CE1 TYR A 80 17.675 15.420 14.073 1.00 12.01 C ATOM 1255 CE2 TYR A 80 19.179 13.847 13.078 1.00 34.25 C ATOM 1256 CZ TYR A 80 18.927 15.104 13.584 1.00 61.43 C ATOM 1257 OH TYR A 80 19.927 16.048 13.601 1.00 71.43 O ATOM 0 H TYR A 80 15.358 10.018 15.667 1.00 73.42 H new ATOM 0 HA TYR A 80 15.181 12.879 15.454 1.00 22.33 H new ATOM 0 HB2 TYR A 80 16.218 11.206 13.189 1.00 71.45 H new ATOM 0 HB3 TYR A 80 15.049 12.452 12.800 1.00 71.45 H new ATOM 0 HD1 TYR A 80 15.696 14.719 14.437 1.00 40.23 H new ATOM 0 HD2 TYR A 80 18.372 11.918 12.660 1.00 61.13 H new ATOM 0 HE1 TYR A 80 17.479 16.406 14.469 1.00 12.01 H new ATOM 0 HE2 TYR A 80 20.160 13.602 12.697 1.00 34.25 H new ATOM 0 HH TYR A 80 19.909 16.558 12.764 1.00 71.43 H new ATOM 1267 N VAL A 81 12.796 12.585 14.747 1.00 72.41 N ATOM 1268 CA VAL A 81 11.364 12.367 14.573 1.00 71.23 C ATOM 1269 C VAL A 81 10.692 13.592 13.962 1.00 21.12 C ATOM 1270 O VAL A 81 10.964 14.726 14.358 1.00 14.21 O ATOM 1271 CB VAL A 81 10.680 12.036 15.913 1.00 70.05 C ATOM 1272 CG1 VAL A 81 9.183 11.851 15.718 1.00 20.25 C ATOM 1273 CG2 VAL A 81 11.303 10.795 16.535 1.00 60.54 C ATOM 0 H VAL A 81 13.058 13.557 14.912 1.00 72.41 H new ATOM 0 HA VAL A 81 11.253 11.519 13.897 1.00 71.23 H new ATOM 0 HB VAL A 81 10.831 12.872 16.595 1.00 70.05 H new ATOM 0 HG11 VAL A 81 8.717 11.618 16.676 1.00 20.25 H new ATOM 0 HG12 VAL A 81 8.752 12.769 15.319 1.00 20.25 H new ATOM 0 HG13 VAL A 81 9.005 11.033 15.020 1.00 20.25 H new ATOM 0 HG21 VAL A 81 10.808 10.575 17.481 1.00 60.54 H new ATOM 0 HG22 VAL A 81 11.184 9.949 15.858 1.00 60.54 H new ATOM 0 HG23 VAL A 81 12.364 10.971 16.713 1.00 60.54 H new ATOM 1283 N PHE A 82 9.813 13.356 12.994 1.00 41.14 N ATOM 1284 CA PHE A 82 9.102 14.440 12.326 1.00 75.10 C ATOM 1285 C PHE A 82 7.622 14.429 12.698 1.00 41.14 C ATOM 1286 O PHE A 82 6.978 13.380 12.701 1.00 74.10 O ATOM 1287 CB PHE A 82 9.259 14.323 10.809 1.00 54.12 C ATOM 1288 CG PHE A 82 10.690 14.316 10.353 1.00 51.23 C ATOM 1289 CD1 PHE A 82 11.538 15.364 10.675 1.00 15.53 C ATOM 1290 CD2 PHE A 82 11.187 13.262 9.604 1.00 3.21 C ATOM 1291 CE1 PHE A 82 12.855 15.359 10.256 1.00 43.04 C ATOM 1292 CE2 PHE A 82 12.504 13.253 9.182 1.00 74.13 C ATOM 1293 CZ PHE A 82 13.339 14.302 9.510 1.00 61.32 C ATOM 0 H PHE A 82 9.576 12.424 12.654 1.00 41.14 H new ATOM 0 HA PHE A 82 9.535 15.384 12.657 1.00 75.10 H new ATOM 0 HB2 PHE A 82 8.774 13.407 10.471 1.00 54.12 H new ATOM 0 HB3 PHE A 82 8.738 15.154 10.333 1.00 54.12 H new ATOM 0 HD1 PHE A 82 11.166 16.193 11.259 1.00 15.53 H new ATOM 0 HD2 PHE A 82 10.538 12.438 9.347 1.00 3.21 H new ATOM 0 HE1 PHE A 82 13.506 16.182 10.512 1.00 43.04 H new ATOM 0 HE2 PHE A 82 12.879 12.426 8.597 1.00 74.13 H new ATOM 0 HZ PHE A 82 14.369 14.296 9.184 1.00 61.32 H new ATOM 1303 N VAL A 83 7.087 15.606 13.012 1.00 3.45 N ATOM 1304 CA VAL A 83 5.685 15.733 13.384 1.00 30.41 C ATOM 1305 C VAL A 83 4.930 16.612 12.392 1.00 55.04 C ATOM 1306 O VAL A 83 5.487 17.050 11.386 1.00 13.52 O ATOM 1307 CB VAL A 83 5.531 16.326 14.798 1.00 74.20 C ATOM 1308 CG1 VAL A 83 6.200 15.428 15.829 1.00 24.53 C ATOM 1309 CG2 VAL A 83 6.105 17.732 14.852 1.00 5.43 C ATOM 0 H VAL A 83 7.605 16.485 13.016 1.00 3.45 H new ATOM 0 HA VAL A 83 5.262 14.729 13.370 1.00 30.41 H new ATOM 0 HB VAL A 83 4.469 16.383 15.035 1.00 74.20 H new ATOM 0 HG11 VAL A 83 6.081 15.862 16.822 1.00 24.53 H new ATOM 0 HG12 VAL A 83 5.737 14.441 15.807 1.00 24.53 H new ATOM 0 HG13 VAL A 83 7.261 15.336 15.598 1.00 24.53 H new ATOM 0 HG21 VAL A 83 5.987 18.135 15.858 1.00 5.43 H new ATOM 0 HG22 VAL A 83 7.164 17.703 14.594 1.00 5.43 H new ATOM 0 HG23 VAL A 83 5.576 18.368 14.142 1.00 5.43 H new ATOM 1319 N ARG A 84 3.659 16.867 12.685 1.00 43.32 N ATOM 1320 CA ARG A 84 2.827 17.694 11.818 1.00 4.31 C ATOM 1321 C ARG A 84 2.534 19.042 12.471 1.00 35.13 C ATOM 1322 O ARG A 84 1.382 19.472 12.540 1.00 11.50 O ATOM 1323 CB ARG A 84 1.516 16.975 11.497 1.00 71.31 C ATOM 1324 CG ARG A 84 0.827 17.495 10.246 1.00 74.30 C ATOM 1325 CD ARG A 84 0.189 16.366 9.450 1.00 43.25 C ATOM 1326 NE ARG A 84 -0.945 16.829 8.656 1.00 32.10 N ATOM 1327 CZ ARG A 84 -1.889 16.023 8.185 1.00 23.35 C ATOM 1328 NH1 ARG A 84 -1.836 14.720 8.427 1.00 43.24 N ATOM 1329 NH2 ARG A 84 -2.891 16.519 7.469 1.00 63.03 N ATOM 0 H ARG A 84 3.183 16.513 13.515 1.00 43.32 H new ATOM 0 HA ARG A 84 3.373 17.870 10.891 1.00 4.31 H new ATOM 0 HB2 ARG A 84 1.716 15.910 11.376 1.00 71.31 H new ATOM 0 HB3 ARG A 84 0.838 17.078 12.344 1.00 71.31 H new ATOM 0 HG2 ARG A 84 0.064 18.221 10.525 1.00 74.30 H new ATOM 0 HG3 ARG A 84 1.551 18.018 9.621 1.00 74.30 H new ATOM 0 HD2 ARG A 84 0.935 15.920 8.792 1.00 43.25 H new ATOM 0 HD3 ARG A 84 -0.142 15.583 10.133 1.00 43.25 H new ATOM 0 HE ARG A 84 -1.016 17.826 8.452 1.00 32.10 H new ATOM 0 HH11 ARG A 84 -1.068 14.334 8.977 1.00 43.24 H new ATOM 0 HH12 ARG A 84 -2.563 14.104 8.064 1.00 43.24 H new ATOM 0 HH21 ARG A 84 -2.936 17.520 7.280 1.00 63.03 H new ATOM 0 HH22 ARG A 84 -3.616 15.899 7.108 1.00 63.03 H new ATOM 1343 N SER A 85 3.583 19.704 12.949 1.00 35.14 N ATOM 1344 CA SER A 85 3.438 21.000 13.599 1.00 60.11 C ATOM 1345 C SER A 85 4.799 21.567 13.990 1.00 3.31 C ATOM 1346 O SER A 85 5.722 20.824 14.324 1.00 70.01 O ATOM 1347 CB SER A 85 2.550 20.875 14.838 1.00 70.35 C ATOM 1348 OG SER A 85 1.432 21.743 14.754 1.00 73.23 O ATOM 0 H SER A 85 4.543 19.363 12.898 1.00 35.14 H new ATOM 0 HA SER A 85 2.969 21.684 12.891 1.00 60.11 H new ATOM 0 HB2 SER A 85 2.208 19.845 14.942 1.00 70.35 H new ATOM 0 HB3 SER A 85 3.130 21.110 15.730 1.00 70.35 H new ATOM 0 HG SER A 85 0.879 21.643 15.557 1.00 73.23 H new ATOM 1354 N LYS A 86 4.917 22.890 13.946 1.00 64.22 N ATOM 1355 CA LYS A 86 6.164 23.561 14.297 1.00 33.54 C ATOM 1356 C LYS A 86 5.973 24.463 15.510 1.00 50.12 C ATOM 1357 O LYS A 86 6.850 24.556 16.369 1.00 41.20 O ATOM 1358 CB LYS A 86 6.675 24.382 13.112 1.00 24.32 C ATOM 1359 CG LYS A 86 5.670 25.398 12.596 1.00 43.05 C ATOM 1360 CD LYS A 86 6.052 25.912 11.219 1.00 4.43 C ATOM 1361 CE LYS A 86 5.678 27.377 11.047 1.00 72.00 C ATOM 1362 NZ LYS A 86 6.803 28.174 10.487 1.00 44.24 N ATOM 0 H LYS A 86 4.163 23.520 13.670 1.00 64.22 H new ATOM 0 HA LYS A 86 6.901 22.798 14.547 1.00 33.54 H new ATOM 0 HB2 LYS A 86 7.586 24.903 13.408 1.00 24.32 H new ATOM 0 HB3 LYS A 86 6.944 23.705 12.301 1.00 24.32 H new ATOM 0 HG2 LYS A 86 4.681 24.943 12.554 1.00 43.05 H new ATOM 0 HG3 LYS A 86 5.607 26.234 13.292 1.00 43.05 H new ATOM 0 HD2 LYS A 86 7.125 25.789 11.068 1.00 4.43 H new ATOM 0 HD3 LYS A 86 5.552 25.316 10.455 1.00 4.43 H new ATOM 0 HE2 LYS A 86 4.813 27.456 10.388 1.00 72.00 H new ATOM 0 HE3 LYS A 86 5.383 27.792 12.011 1.00 72.00 H new ATOM 0 HZ1 LYS A 86 6.508 29.166 10.385 1.00 44.24 H new ATOM 0 HZ2 LYS A 86 7.620 28.120 11.128 1.00 44.24 H new ATOM 0 HZ3 LYS A 86 7.068 27.794 9.556 1.00 44.24 H new ATOM 1376 N GLN A 87 4.822 25.125 15.576 1.00 63.40 N ATOM 1377 CA GLN A 87 4.518 26.020 16.686 1.00 31.22 C ATOM 1378 C GLN A 87 4.272 25.232 17.969 1.00 50.13 C ATOM 1379 O GLN A 87 4.653 25.664 19.056 1.00 55.42 O ATOM 1380 CB GLN A 87 3.294 26.876 16.358 1.00 23.24 C ATOM 1381 CG GLN A 87 3.629 28.153 15.603 1.00 75.03 C ATOM 1382 CD GLN A 87 2.481 28.642 14.744 1.00 60.44 C ATOM 1383 OE1 GLN A 87 2.301 28.193 13.611 1.00 40.32 O ATOM 1384 NE2 GLN A 87 1.693 29.568 15.279 1.00 11.35 N ATOM 0 H GLN A 87 4.085 25.058 14.874 1.00 63.40 H new ATOM 0 HA GLN A 87 5.378 26.672 16.840 1.00 31.22 H new ATOM 0 HB2 GLN A 87 2.596 26.285 15.764 1.00 23.24 H new ATOM 0 HB3 GLN A 87 2.783 27.135 17.285 1.00 23.24 H new ATOM 0 HG2 GLN A 87 3.901 28.931 16.316 1.00 75.03 H new ATOM 0 HG3 GLN A 87 4.501 27.979 14.973 1.00 75.03 H new ATOM 0 HE21 GLN A 87 1.878 29.913 16.221 1.00 11.35 H new ATOM 0 HE22 GLN A 87 0.903 29.934 14.748 1.00 11.35 H new ATOM 1393 N ALA A 88 3.633 24.075 17.833 1.00 51.30 N ATOM 1394 CA ALA A 88 3.338 23.226 18.981 1.00 41.03 C ATOM 1395 C ALA A 88 4.619 22.791 19.685 1.00 14.32 C ATOM 1396 O ALA A 88 4.663 22.694 20.913 1.00 5.05 O ATOM 1397 CB ALA A 88 2.534 22.010 18.546 1.00 62.51 C ATOM 0 H ALA A 88 3.310 23.704 16.940 1.00 51.30 H new ATOM 0 HA ALA A 88 2.745 23.806 19.688 1.00 41.03 H new ATOM 0 HB1 ALA A 88 2.321 21.385 19.413 1.00 62.51 H new ATOM 0 HB2 ALA A 88 1.597 22.336 18.095 1.00 62.51 H new ATOM 0 HB3 ALA A 88 3.107 21.436 17.818 1.00 62.51 H new ATOM 1403 N LEU A 89 5.659 22.528 18.902 1.00 34.10 N ATOM 1404 CA LEU A 89 6.942 22.102 19.450 1.00 13.11 C ATOM 1405 C LEU A 89 7.529 23.176 20.359 1.00 53.50 C ATOM 1406 O LEU A 89 7.797 22.931 21.535 1.00 73.34 O ATOM 1407 CB LEU A 89 7.922 21.782 18.319 1.00 65.15 C ATOM 1408 CG LEU A 89 9.392 21.662 18.720 1.00 0.54 C ATOM 1409 CD1 LEU A 89 9.590 20.499 19.681 1.00 61.01 C ATOM 1410 CD2 LEU A 89 10.268 21.492 17.487 1.00 54.44 C ATOM 0 H LEU A 89 5.639 22.602 17.885 1.00 34.10 H new ATOM 0 HA LEU A 89 6.775 21.202 20.042 1.00 13.11 H new ATOM 0 HB2 LEU A 89 7.615 20.845 17.853 1.00 65.15 H new ATOM 0 HB3 LEU A 89 7.835 22.559 17.559 1.00 65.15 H new ATOM 0 HG LEU A 89 9.687 22.580 19.228 1.00 0.54 H new ATOM 0 HD11 LEU A 89 10.643 20.429 19.956 1.00 61.01 H new ATOM 0 HD12 LEU A 89 8.991 20.662 20.577 1.00 61.01 H new ATOM 0 HD13 LEU A 89 9.278 19.572 19.200 1.00 61.01 H new ATOM 0 HD21 LEU A 89 11.311 21.408 17.791 1.00 54.44 H new ATOM 0 HD22 LEU A 89 9.972 20.590 16.952 1.00 54.44 H new ATOM 0 HD23 LEU A 89 10.149 22.356 16.834 1.00 54.44 H new ATOM 1422 N GLY A 90 7.727 24.370 19.806 1.00 14.21 N ATOM 1423 CA GLY A 90 8.279 25.465 20.582 1.00 14.43 C ATOM 1424 C GLY A 90 7.454 25.775 21.815 1.00 43.23 C ATOM 1425 O GLY A 90 7.979 26.269 22.813 1.00 41.14 O ATOM 0 H GLY A 90 7.515 24.598 18.835 1.00 14.21 H new ATOM 0 HA2 GLY A 90 9.297 25.216 20.883 1.00 14.43 H new ATOM 0 HA3 GLY A 90 8.340 26.355 19.956 1.00 14.43 H new ATOM 1429 N ARG A 91 6.159 25.488 21.746 1.00 71.53 N ATOM 1430 CA ARG A 91 5.259 25.743 22.864 1.00 43.23 C ATOM 1431 C ARG A 91 5.664 24.924 24.086 1.00 74.24 C ATOM 1432 O ARG A 91 5.773 25.453 25.192 1.00 43.15 O ATOM 1433 CB ARG A 91 3.818 25.414 22.472 1.00 31.41 C ATOM 1434 CG ARG A 91 2.826 26.513 22.818 1.00 62.15 C ATOM 1435 CD ARG A 91 1.681 25.984 23.668 1.00 0.23 C ATOM 1436 NE ARG A 91 1.044 27.041 24.448 1.00 50.51 N ATOM 1437 CZ ARG A 91 -0.054 26.860 25.172 1.00 72.14 C ATOM 1438 NH1 ARG A 91 -0.635 25.668 25.216 1.00 43.53 N ATOM 1439 NH2 ARG A 91 -0.575 27.872 25.856 1.00 13.43 N ATOM 0 H ARG A 91 5.709 25.079 20.927 1.00 71.53 H new ATOM 0 HA ARG A 91 5.327 26.801 23.118 1.00 43.23 H new ATOM 0 HB2 ARG A 91 3.777 25.224 21.400 1.00 31.41 H new ATOM 0 HB3 ARG A 91 3.516 24.493 22.971 1.00 31.41 H new ATOM 0 HG2 ARG A 91 3.339 27.312 23.353 1.00 62.15 H new ATOM 0 HG3 ARG A 91 2.429 26.948 21.901 1.00 62.15 H new ATOM 0 HD2 ARG A 91 0.939 25.512 23.024 1.00 0.23 H new ATOM 0 HD3 ARG A 91 2.056 25.213 24.341 1.00 0.23 H new ATOM 0 HE ARG A 91 1.466 27.970 24.436 1.00 50.51 H new ATOM 0 HH11 ARG A 91 -0.238 24.888 24.693 1.00 43.53 H new ATOM 0 HH12 ARG A 91 -1.478 25.532 25.773 1.00 43.53 H new ATOM 0 HH21 ARG A 91 -0.132 28.790 25.826 1.00 13.43 H new ATOM 0 HH22 ARG A 91 -1.419 27.731 26.412 1.00 13.43 H new ATOM 1453 N ALA A 92 5.886 23.630 23.878 1.00 61.45 N ATOM 1454 CA ALA A 92 6.281 22.739 24.962 1.00 21.41 C ATOM 1455 C ALA A 92 7.616 23.164 25.563 1.00 53.32 C ATOM 1456 O ALA A 92 7.886 22.912 26.738 1.00 41.14 O ATOM 1457 CB ALA A 92 6.356 21.304 24.463 1.00 0.34 C ATOM 0 H ALA A 92 5.799 23.176 22.969 1.00 61.45 H new ATOM 0 HA ALA A 92 5.525 22.801 25.745 1.00 21.41 H new ATOM 0 HB1 ALA A 92 6.652 20.649 25.282 1.00 0.34 H new ATOM 0 HB2 ALA A 92 5.379 20.998 24.088 1.00 0.34 H new ATOM 0 HB3 ALA A 92 7.090 21.236 23.660 1.00 0.34 H new ATOM 1463 N CYS A 93 8.447 23.806 24.751 1.00 64.03 N ATOM 1464 CA CYS A 93 9.756 24.265 25.204 1.00 4.53 C ATOM 1465 C CYS A 93 9.619 25.454 26.149 1.00 10.31 C ATOM 1466 O CYS A 93 10.468 25.674 27.012 1.00 13.23 O ATOM 1467 CB CYS A 93 10.627 24.648 24.005 1.00 70.14 C ATOM 1468 SG CYS A 93 12.257 23.865 23.998 1.00 73.50 S ATOM 0 H CYS A 93 8.239 24.021 23.776 1.00 64.03 H new ATOM 0 HA CYS A 93 10.233 23.448 25.745 1.00 4.53 H new ATOM 0 HB2 CYS A 93 10.103 24.380 23.088 1.00 70.14 H new ATOM 0 HB3 CYS A 93 10.755 25.730 23.994 1.00 70.14 H new ATOM 0 HG CYS A 93 12.745 23.890 22.793 1.00 73.50 H new ATOM 1474 N GLY A 94 8.545 26.218 25.979 1.00 21.21 N ATOM 1475 CA GLY A 94 8.318 27.376 26.823 1.00 22.30 C ATOM 1476 C GLY A 94 9.115 28.585 26.376 1.00 43.20 C ATOM 1477 O GLY A 94 9.687 29.300 27.198 1.00 53.25 O ATOM 0 H GLY A 94 7.828 26.056 25.272 1.00 21.21 H new ATOM 0 HA2 GLY A 94 7.256 27.623 26.818 1.00 22.30 H new ATOM 0 HA3 GLY A 94 8.583 27.130 27.851 1.00 22.30 H new ATOM 1481 N VAL A 95 9.154 28.815 25.067 1.00 21.12 N ATOM 1482 CA VAL A 95 9.888 29.946 24.511 1.00 63.11 C ATOM 1483 C VAL A 95 8.937 30.975 23.910 1.00 10.32 C ATOM 1484 O VAL A 95 7.757 30.698 23.703 1.00 72.31 O ATOM 1485 CB VAL A 95 10.886 29.491 23.430 1.00 32.13 C ATOM 1486 CG1 VAL A 95 12.085 28.803 24.064 1.00 52.34 C ATOM 1487 CG2 VAL A 95 10.202 28.571 22.428 1.00 51.34 C ATOM 0 H VAL A 95 8.686 28.233 24.372 1.00 21.12 H new ATOM 0 HA VAL A 95 10.439 30.402 25.334 1.00 63.11 H new ATOM 0 HB VAL A 95 11.243 30.372 22.897 1.00 32.13 H new ATOM 0 HG11 VAL A 95 12.779 28.489 23.284 1.00 52.34 H new ATOM 0 HG12 VAL A 95 12.587 29.496 24.739 1.00 52.34 H new ATOM 0 HG13 VAL A 95 11.749 27.930 24.624 1.00 52.34 H new ATOM 0 HG21 VAL A 95 10.921 28.259 21.671 1.00 51.34 H new ATOM 0 HG22 VAL A 95 9.815 27.693 22.945 1.00 51.34 H new ATOM 0 HG23 VAL A 95 9.379 29.102 21.949 1.00 51.34 H new ATOM 1497 N SER A 96 9.462 32.165 23.630 1.00 14.31 N ATOM 1498 CA SER A 96 8.660 33.238 23.055 1.00 14.22 C ATOM 1499 C SER A 96 8.893 33.342 21.550 1.00 65.13 C ATOM 1500 O SER A 96 8.730 34.411 20.959 1.00 54.42 O ATOM 1501 CB SER A 96 8.993 34.570 23.728 1.00 52.13 C ATOM 1502 OG SER A 96 8.407 34.650 25.016 1.00 52.14 O ATOM 0 H SER A 96 10.439 32.409 23.792 1.00 14.31 H new ATOM 0 HA SER A 96 7.609 33.006 23.228 1.00 14.22 H new ATOM 0 HB2 SER A 96 10.074 34.680 23.809 1.00 52.13 H new ATOM 0 HB3 SER A 96 8.635 35.393 23.110 1.00 52.13 H new ATOM 0 HG SER A 96 8.636 35.510 25.427 1.00 52.14 H new ATOM 1508 N ARG A 97 9.274 32.227 20.937 1.00 42.13 N ATOM 1509 CA ARG A 97 9.531 32.193 19.502 1.00 70.31 C ATOM 1510 C ARG A 97 9.534 30.759 18.985 1.00 32.14 C ATOM 1511 O ARG A 97 9.691 29.799 19.741 1.00 22.50 O ATOM 1512 CB ARG A 97 10.869 32.864 19.187 1.00 22.14 C ATOM 1513 CG ARG A 97 10.728 34.235 18.547 1.00 22.42 C ATOM 1514 CD ARG A 97 11.582 35.272 19.258 1.00 44.21 C ATOM 1515 NE ARG A 97 12.101 36.279 18.337 1.00 24.01 N ATOM 1516 CZ ARG A 97 12.577 37.456 18.726 1.00 43.12 C ATOM 1517 NH1 ARG A 97 12.601 37.773 20.014 1.00 1.01 N ATOM 1518 NH2 ARG A 97 13.032 38.320 17.828 1.00 22.14 N ATOM 0 H ARG A 97 9.412 31.335 21.411 1.00 42.13 H new ATOM 0 HA ARG A 97 8.732 32.739 19.001 1.00 70.31 H new ATOM 0 HB2 ARG A 97 11.443 32.960 20.108 1.00 22.14 H new ATOM 0 HB3 ARG A 97 11.441 32.219 18.521 1.00 22.14 H new ATOM 0 HG2 ARG A 97 11.019 34.180 17.498 1.00 22.42 H new ATOM 0 HG3 ARG A 97 9.683 34.544 18.572 1.00 22.42 H new ATOM 0 HD2 ARG A 97 10.990 35.760 20.032 1.00 44.21 H new ATOM 0 HD3 ARG A 97 12.414 34.775 19.758 1.00 44.21 H new ATOM 0 HE ARG A 97 12.098 36.067 17.339 1.00 24.01 H new ATOM 0 HH11 ARG A 97 12.253 37.112 20.709 1.00 1.01 H new ATOM 0 HH12 ARG A 97 12.967 38.678 20.310 1.00 1.01 H new ATOM 0 HH21 ARG A 97 13.017 38.081 16.837 1.00 22.14 H new ATOM 0 HH22 ARG A 97 13.397 39.224 18.129 1.00 22.14 H new ATOM 1532 N PRO A 98 9.355 30.605 17.664 1.00 44.33 N ATOM 1533 CA PRO A 98 9.333 29.291 17.015 1.00 33.52 C ATOM 1534 C PRO A 98 10.705 28.626 17.005 1.00 42.22 C ATOM 1535 O PRO A 98 11.724 29.279 17.229 1.00 42.53 O ATOM 1536 CB PRO A 98 8.883 29.608 15.587 1.00 64.33 C ATOM 1537 CG PRO A 98 9.288 31.024 15.367 1.00 11.31 C ATOM 1538 CD PRO A 98 9.161 31.704 16.702 1.00 20.10 C ATOM 0 HA PRO A 98 8.681 28.590 17.537 1.00 33.52 H new ATOM 0 HB2 PRO A 98 9.359 28.944 14.866 1.00 64.33 H new ATOM 0 HB3 PRO A 98 7.806 29.482 15.474 1.00 64.33 H new ATOM 0 HG2 PRO A 98 10.311 31.084 14.994 1.00 11.31 H new ATOM 0 HG3 PRO A 98 8.649 31.501 14.624 1.00 11.31 H new ATOM 0 HD2 PRO A 98 9.910 32.485 16.828 1.00 20.10 H new ATOM 0 HD3 PRO A 98 8.186 32.176 16.822 1.00 20.10 H new ATOM 1546 N VAL A 99 10.724 27.322 16.744 1.00 64.33 N ATOM 1547 CA VAL A 99 11.972 26.569 16.704 1.00 25.34 C ATOM 1548 C VAL A 99 11.977 25.577 15.546 1.00 43.21 C ATOM 1549 O VAL A 99 10.932 25.059 15.155 1.00 23.42 O ATOM 1550 CB VAL A 99 12.209 25.807 18.020 1.00 53.43 C ATOM 1551 CG1 VAL A 99 13.596 25.182 18.033 1.00 54.51 C ATOM 1552 CG2 VAL A 99 12.022 26.732 19.213 1.00 65.14 C ATOM 0 H VAL A 99 9.890 26.766 16.557 1.00 64.33 H new ATOM 0 HA VAL A 99 12.775 27.292 16.563 1.00 25.34 H new ATOM 0 HB VAL A 99 11.474 25.005 18.092 1.00 53.43 H new ATOM 0 HG11 VAL A 99 13.745 24.648 18.971 1.00 54.51 H new ATOM 0 HG12 VAL A 99 13.689 24.485 17.200 1.00 54.51 H new ATOM 0 HG13 VAL A 99 14.349 25.965 17.937 1.00 54.51 H new ATOM 0 HG21 VAL A 99 12.193 26.176 20.135 1.00 65.14 H new ATOM 0 HG22 VAL A 99 12.732 27.556 19.149 1.00 65.14 H new ATOM 0 HG23 VAL A 99 11.006 27.127 19.211 1.00 65.14 H new ATOM 1562 N ILE A 100 13.162 25.316 15.004 1.00 5.21 N ATOM 1563 CA ILE A 100 13.304 24.385 13.891 1.00 50.15 C ATOM 1564 C ILE A 100 14.027 23.115 14.327 1.00 2.01 C ATOM 1565 O ILE A 100 13.862 22.056 13.723 1.00 75.33 O ATOM 1566 CB ILE A 100 14.070 25.022 12.717 1.00 52.32 C ATOM 1567 CG1 ILE A 100 15.348 25.696 13.221 1.00 45.10 C ATOM 1568 CG2 ILE A 100 13.186 26.025 11.990 1.00 12.32 C ATOM 1569 CD1 ILE A 100 16.382 25.916 12.138 1.00 22.51 C ATOM 0 H ILE A 100 14.037 25.736 15.317 1.00 5.21 H new ATOM 0 HA ILE A 100 12.297 24.132 13.560 1.00 50.15 H new ATOM 0 HB ILE A 100 14.348 24.237 12.014 1.00 52.32 H new ATOM 0 HG12 ILE A 100 15.091 26.657 13.667 1.00 45.10 H new ATOM 0 HG13 ILE A 100 15.785 25.084 14.010 1.00 45.10 H new ATOM 0 HG21 ILE A 100 13.741 26.467 11.163 1.00 12.32 H new ATOM 0 HG22 ILE A 100 12.302 25.518 11.604 1.00 12.32 H new ATOM 0 HG23 ILE A 100 12.881 26.810 12.682 1.00 12.32 H new ATOM 0 HD11 ILE A 100 17.261 26.397 12.567 1.00 22.51 H new ATOM 0 HD12 ILE A 100 16.668 24.956 11.707 1.00 22.51 H new ATOM 0 HD13 ILE A 100 15.963 26.553 11.359 1.00 22.51 H new ATOM 1581 N ALA A 101 14.830 23.230 15.381 1.00 42.11 N ATOM 1582 CA ALA A 101 15.575 22.090 15.900 1.00 3.51 C ATOM 1583 C ALA A 101 15.847 22.246 17.393 1.00 64.22 C ATOM 1584 O ALA A 101 16.537 23.175 17.814 1.00 74.43 O ATOM 1585 CB ALA A 101 16.883 21.925 15.139 1.00 34.33 C ATOM 0 H ALA A 101 14.981 24.100 15.891 1.00 42.11 H new ATOM 0 HA ALA A 101 14.968 21.196 15.759 1.00 3.51 H new ATOM 0 HB1 ALA A 101 17.430 21.070 15.537 1.00 34.33 H new ATOM 0 HB2 ALA A 101 16.671 21.761 14.082 1.00 34.33 H new ATOM 0 HB3 ALA A 101 17.486 22.826 15.252 1.00 34.33 H new ATOM 1591 N CYS A 102 15.300 21.333 18.187 1.00 10.11 N ATOM 1592 CA CYS A 102 15.482 21.370 19.634 1.00 35.24 C ATOM 1593 C CYS A 102 16.139 20.086 20.132 1.00 44.51 C ATOM 1594 O CYS A 102 16.311 19.130 19.376 1.00 64.41 O ATOM 1595 CB CYS A 102 14.137 21.572 20.333 1.00 12.14 C ATOM 1596 SG CYS A 102 13.035 20.141 20.242 1.00 0.33 S ATOM 0 H CYS A 102 14.727 20.558 17.854 1.00 10.11 H new ATOM 0 HA CYS A 102 16.137 22.208 19.872 1.00 35.24 H new ATOM 0 HB2 CYS A 102 14.317 21.812 21.381 1.00 12.14 H new ATOM 0 HB3 CYS A 102 13.635 22.432 19.890 1.00 12.14 H new ATOM 0 HG CYS A 102 13.081 19.633 19.046 1.00 0.33 H new ATOM 1602 N SER A 103 16.509 20.075 21.408 1.00 75.11 N ATOM 1603 CA SER A 103 17.154 18.911 22.007 1.00 64.32 C ATOM 1604 C SER A 103 16.480 18.534 23.323 1.00 22.10 C ATOM 1605 O SER A 103 16.105 19.400 24.113 1.00 62.40 O ATOM 1606 CB SER A 103 18.639 19.191 22.243 1.00 35.11 C ATOM 1607 OG SER A 103 19.449 18.227 21.591 1.00 21.52 O ATOM 0 H SER A 103 16.374 20.858 22.047 1.00 75.11 H new ATOM 0 HA SER A 103 17.055 18.074 21.316 1.00 64.32 H new ATOM 0 HB2 SER A 103 18.887 20.187 21.877 1.00 35.11 H new ATOM 0 HB3 SER A 103 18.848 19.183 23.313 1.00 35.11 H new ATOM 0 HG SER A 103 20.355 18.584 21.477 1.00 21.52 H new ATOM 1613 N VAL A 104 16.329 17.233 23.551 1.00 34.41 N ATOM 1614 CA VAL A 104 15.701 16.739 24.770 1.00 75.02 C ATOM 1615 C VAL A 104 16.611 15.755 25.497 1.00 12.25 C ATOM 1616 O VAL A 104 16.951 14.697 24.965 1.00 50.24 O ATOM 1617 CB VAL A 104 14.356 16.051 24.472 1.00 5.01 C ATOM 1618 CG1 VAL A 104 13.646 15.681 25.764 1.00 52.10 C ATOM 1619 CG2 VAL A 104 13.479 16.950 23.611 1.00 12.32 C ATOM 0 H VAL A 104 16.633 16.503 22.907 1.00 34.41 H new ATOM 0 HA VAL A 104 15.524 17.606 25.407 1.00 75.02 H new ATOM 0 HB VAL A 104 14.552 15.133 23.919 1.00 5.01 H new ATOM 0 HG11 VAL A 104 12.698 15.196 25.532 1.00 52.10 H new ATOM 0 HG12 VAL A 104 14.271 14.999 26.340 1.00 52.10 H new ATOM 0 HG13 VAL A 104 13.459 16.582 26.348 1.00 52.10 H new ATOM 0 HG21 VAL A 104 12.532 16.449 23.409 1.00 12.32 H new ATOM 0 HG22 VAL A 104 13.290 17.886 24.137 1.00 12.32 H new ATOM 0 HG23 VAL A 104 13.986 17.159 22.669 1.00 12.32 H new ATOM 1629 N THR A 105 17.004 16.108 26.717 1.00 24.25 N ATOM 1630 CA THR A 105 17.875 15.257 27.517 1.00 33.31 C ATOM 1631 C THR A 105 17.078 14.479 28.558 1.00 1.55 C ATOM 1632 O THR A 105 15.864 14.645 28.675 1.00 55.32 O ATOM 1633 CB THR A 105 18.964 16.080 28.231 1.00 3.24 C ATOM 1634 OG1 THR A 105 18.408 17.305 28.722 1.00 40.20 O ATOM 1635 CG2 THR A 105 20.119 16.383 27.287 1.00 63.52 C ATOM 0 H THR A 105 16.732 16.979 27.173 1.00 24.25 H new ATOM 0 HA THR A 105 18.351 14.557 26.830 1.00 33.31 H new ATOM 0 HB THR A 105 19.344 15.493 29.067 1.00 3.24 H new ATOM 0 HG1 THR A 105 17.749 17.108 29.421 1.00 40.20 H new ATOM 0 HG21 THR A 105 20.876 16.965 27.813 1.00 63.52 H new ATOM 0 HG22 THR A 105 20.558 15.449 26.937 1.00 63.52 H new ATOM 0 HG23 THR A 105 19.751 16.953 26.434 1.00 63.52 H new ATOM 1643 N ILE A 106 17.770 13.631 29.311 1.00 72.43 N ATOM 1644 CA ILE A 106 17.126 12.828 30.345 1.00 23.25 C ATOM 1645 C ILE A 106 17.619 13.221 31.733 1.00 52.32 C ATOM 1646 O ILE A 106 18.787 13.566 31.915 1.00 1.20 O ATOM 1647 CB ILE A 106 17.379 11.325 30.129 1.00 1.25 C ATOM 1648 CG1 ILE A 106 16.519 10.497 31.087 1.00 22.21 C ATOM 1649 CG2 ILE A 106 18.854 11.003 30.319 1.00 61.01 C ATOM 1650 CD1 ILE A 106 16.140 9.140 30.539 1.00 14.10 C ATOM 0 H ILE A 106 18.775 13.482 29.225 1.00 72.43 H new ATOM 0 HA ILE A 106 16.056 13.022 30.274 1.00 23.25 H new ATOM 0 HB ILE A 106 17.100 11.068 29.107 1.00 1.25 H new ATOM 0 HG12 ILE A 106 17.059 10.363 32.024 1.00 22.21 H new ATOM 0 HG13 ILE A 106 15.611 11.053 31.319 1.00 22.21 H new ATOM 0 HG21 ILE A 106 19.017 9.937 30.163 1.00 61.01 H new ATOM 0 HG22 ILE A 106 19.446 11.569 29.600 1.00 61.01 H new ATOM 0 HG23 ILE A 106 19.158 11.272 31.331 1.00 61.01 H new ATOM 0 HD11 ILE A 106 15.531 8.609 31.271 1.00 14.10 H new ATOM 0 HD12 ILE A 106 15.572 9.266 29.617 1.00 14.10 H new ATOM 0 HD13 ILE A 106 17.043 8.566 30.333 1.00 14.10 H new ATOM 1662 N LYS A 107 16.722 13.164 32.711 1.00 64.22 N ATOM 1663 CA LYS A 107 17.064 13.511 34.085 1.00 41.31 C ATOM 1664 C LYS A 107 16.890 12.310 35.009 1.00 44.02 C ATOM 1665 O LYS A 107 15.823 12.112 35.589 1.00 13.14 O ATOM 1666 CB LYS A 107 16.195 14.673 34.572 1.00 51.13 C ATOM 1667 CG LYS A 107 16.623 15.231 35.919 1.00 34.35 C ATOM 1668 CD LYS A 107 17.046 16.685 35.811 1.00 65.33 C ATOM 1669 CE LYS A 107 16.783 17.440 37.105 1.00 74.25 C ATOM 1670 NZ LYS A 107 17.752 18.554 37.305 1.00 32.51 N ATOM 0 H LYS A 107 15.751 12.880 32.577 1.00 64.22 H new ATOM 0 HA LYS A 107 18.111 13.815 34.106 1.00 41.31 H new ATOM 0 HB2 LYS A 107 16.224 15.472 33.831 1.00 51.13 H new ATOM 0 HB3 LYS A 107 15.160 14.338 34.639 1.00 51.13 H new ATOM 0 HG2 LYS A 107 15.800 15.142 36.629 1.00 34.35 H new ATOM 0 HG3 LYS A 107 17.449 14.639 36.313 1.00 34.35 H new ATOM 0 HD2 LYS A 107 18.107 16.739 35.566 1.00 65.33 H new ATOM 0 HD3 LYS A 107 16.505 17.162 34.994 1.00 65.33 H new ATOM 0 HE2 LYS A 107 15.769 17.839 37.093 1.00 74.25 H new ATOM 0 HE3 LYS A 107 16.844 16.750 37.947 1.00 74.25 H new ATOM 0 HZ1 LYS A 107 17.539 19.043 38.198 1.00 32.51 H new ATOM 0 HZ2 LYS A 107 18.718 18.171 37.342 1.00 32.51 H new ATOM 0 HZ3 LYS A 107 17.676 19.226 36.515 1.00 32.51 H new ATOM 1684 N GLU A 108 17.946 11.514 35.142 1.00 72.22 N ATOM 1685 CA GLU A 108 17.907 10.333 35.997 1.00 53.52 C ATOM 1686 C GLU A 108 17.598 10.716 37.441 1.00 50.13 C ATOM 1687 O GLU A 108 18.331 11.485 38.061 1.00 45.44 O ATOM 1688 CB GLU A 108 19.242 9.585 35.930 1.00 74.44 C ATOM 1689 CG GLU A 108 20.443 10.453 36.263 1.00 53.14 C ATOM 1690 CD GLU A 108 21.447 10.519 35.129 1.00 32.41 C ATOM 1691 OE1 GLU A 108 21.062 10.942 34.019 1.00 33.22 O ATOM 1692 OE2 GLU A 108 22.619 10.148 35.352 1.00 43.12 O ATOM 0 H GLU A 108 18.837 11.665 34.670 1.00 72.22 H new ATOM 0 HA GLU A 108 17.113 9.680 35.636 1.00 53.52 H new ATOM 0 HB2 GLU A 108 19.211 8.742 36.620 1.00 74.44 H new ATOM 0 HB3 GLU A 108 19.368 9.173 34.929 1.00 74.44 H new ATOM 0 HG2 GLU A 108 20.103 11.461 36.502 1.00 53.14 H new ATOM 0 HG3 GLU A 108 20.933 10.062 37.155 1.00 53.14 H new ATOM 1699 N GLY A 109 16.506 10.173 37.971 1.00 53.41 N ATOM 1700 CA GLY A 109 16.118 10.470 39.337 1.00 62.23 C ATOM 1701 C GLY A 109 14.657 10.165 39.604 1.00 40.31 C ATOM 1702 O GLY A 109 14.278 9.847 40.731 1.00 2.12 O ATOM 0 H GLY A 109 15.883 9.533 37.478 1.00 53.41 H new ATOM 0 HA2 GLY A 109 16.738 9.891 40.022 1.00 62.23 H new ATOM 0 HA3 GLY A 109 16.310 11.522 39.545 1.00 62.23 H new ATOM 1706 N SER A 110 13.835 10.264 38.564 1.00 72.33 N ATOM 1707 CA SER A 110 12.405 10.001 38.693 1.00 42.40 C ATOM 1708 C SER A 110 11.965 8.905 37.728 1.00 51.12 C ATOM 1709 O SER A 110 12.787 8.315 37.027 1.00 14.22 O ATOM 1710 CB SER A 110 11.605 11.279 38.431 1.00 14.11 C ATOM 1711 OG SER A 110 11.917 12.280 39.384 1.00 5.22 O ATOM 0 H SER A 110 14.133 10.524 37.624 1.00 72.33 H new ATOM 0 HA SER A 110 12.213 9.663 39.711 1.00 42.40 H new ATOM 0 HB2 SER A 110 11.820 11.647 37.428 1.00 14.11 H new ATOM 0 HB3 SER A 110 10.538 11.058 38.467 1.00 14.11 H new ATOM 0 HG SER A 110 11.394 13.087 39.194 1.00 5.22 H new ATOM 1717 N GLN A 111 10.664 8.638 37.699 1.00 65.42 N ATOM 1718 CA GLN A 111 10.113 7.613 36.820 1.00 42.42 C ATOM 1719 C GLN A 111 10.202 8.042 35.360 1.00 43.04 C ATOM 1720 O GLN A 111 10.255 7.206 34.458 1.00 72.30 O ATOM 1721 CB GLN A 111 8.659 7.320 37.192 1.00 75.11 C ATOM 1722 CG GLN A 111 7.734 8.513 37.012 1.00 35.43 C ATOM 1723 CD GLN A 111 6.376 8.299 37.653 1.00 44.15 C ATOM 1724 OE1 GLN A 111 5.832 7.195 37.629 1.00 12.11 O ATOM 1725 NE2 GLN A 111 5.822 9.358 38.232 1.00 62.40 N ATOM 0 H GLN A 111 9.971 9.117 38.274 1.00 65.42 H new ATOM 0 HA GLN A 111 10.702 6.705 36.948 1.00 42.42 H new ATOM 0 HB2 GLN A 111 8.296 6.493 36.581 1.00 75.11 H new ATOM 0 HB3 GLN A 111 8.617 6.992 38.230 1.00 75.11 H new ATOM 0 HG2 GLN A 111 8.200 9.398 37.444 1.00 35.43 H new ATOM 0 HG3 GLN A 111 7.603 8.709 35.948 1.00 35.43 H new ATOM 0 HE21 GLN A 111 6.309 10.254 38.228 1.00 62.40 H new ATOM 0 HE22 GLN A 111 4.910 9.275 38.681 1.00 62.40 H new ATOM 1734 N LEU A 112 10.216 9.352 35.133 1.00 73.00 N ATOM 1735 CA LEU A 112 10.296 9.893 33.782 1.00 30.13 C ATOM 1736 C LEU A 112 11.475 9.292 33.024 1.00 3.54 C ATOM 1737 O LEU A 112 11.433 9.146 31.802 1.00 10.21 O ATOM 1738 CB LEU A 112 10.429 11.416 33.828 1.00 51.03 C ATOM 1739 CG LEU A 112 9.406 12.205 33.008 1.00 11.32 C ATOM 1740 CD1 LEU A 112 8.166 12.495 33.838 1.00 21.43 C ATOM 1741 CD2 LEU A 112 10.020 13.499 32.492 1.00 34.21 C ATOM 0 H LEU A 112 10.173 10.058 35.868 1.00 73.00 H new ATOM 0 HA LEU A 112 9.378 9.630 33.257 1.00 30.13 H new ATOM 0 HB2 LEU A 112 10.356 11.736 34.867 1.00 51.03 H new ATOM 0 HB3 LEU A 112 11.427 11.684 33.481 1.00 51.03 H new ATOM 0 HG LEU A 112 9.111 11.599 32.151 1.00 11.32 H new ATOM 0 HD11 LEU A 112 7.450 13.057 33.238 1.00 21.43 H new ATOM 0 HD12 LEU A 112 7.714 11.556 34.157 1.00 21.43 H new ATOM 0 HD13 LEU A 112 8.444 13.081 34.714 1.00 21.43 H new ATOM 0 HD21 LEU A 112 9.278 14.047 31.911 1.00 34.21 H new ATOM 0 HD22 LEU A 112 10.344 14.109 33.335 1.00 34.21 H new ATOM 0 HD23 LEU A 112 10.878 13.268 31.860 1.00 34.21 H new ATOM 1753 N LYS A 113 12.527 8.942 33.756 1.00 72.22 N ATOM 1754 CA LYS A 113 13.718 8.353 33.156 1.00 2.04 C ATOM 1755 C LYS A 113 13.351 7.158 32.282 1.00 22.32 C ATOM 1756 O LYS A 113 13.900 6.983 31.194 1.00 34.23 O ATOM 1757 CB LYS A 113 14.702 7.918 34.245 1.00 24.23 C ATOM 1758 CG LYS A 113 16.036 7.437 33.701 1.00 3.22 C ATOM 1759 CD LYS A 113 16.386 6.055 34.225 1.00 0.23 C ATOM 1760 CE LYS A 113 17.742 5.593 33.715 1.00 11.30 C ATOM 1761 NZ LYS A 113 17.664 4.253 33.067 1.00 64.13 N ATOM 0 H LYS A 113 12.579 9.056 34.768 1.00 72.22 H new ATOM 0 HA LYS A 113 14.191 9.109 32.529 1.00 2.04 H new ATOM 0 HB2 LYS A 113 14.875 8.755 34.922 1.00 24.23 H new ATOM 0 HB3 LYS A 113 14.250 7.120 34.834 1.00 24.23 H new ATOM 0 HG2 LYS A 113 15.999 7.416 32.612 1.00 3.22 H new ATOM 0 HG3 LYS A 113 16.819 8.142 33.980 1.00 3.22 H new ATOM 0 HD2 LYS A 113 16.391 6.068 35.315 1.00 0.23 H new ATOM 0 HD3 LYS A 113 15.619 5.344 33.919 1.00 0.23 H new ATOM 0 HE2 LYS A 113 18.128 6.320 33.001 1.00 11.30 H new ATOM 0 HE3 LYS A 113 18.448 5.555 34.544 1.00 11.30 H new ATOM 0 HZ1 LYS A 113 18.608 3.974 32.733 1.00 64.13 H new ATOM 0 HZ2 LYS A 113 17.320 3.554 33.756 1.00 64.13 H new ATOM 0 HZ3 LYS A 113 17.010 4.295 32.260 1.00 64.13 H new ATOM 1775 N GLN A 114 12.419 6.342 32.763 1.00 13.53 N ATOM 1776 CA GLN A 114 11.980 5.164 32.024 1.00 0.02 C ATOM 1777 C GLN A 114 11.019 5.551 30.904 1.00 51.52 C ATOM 1778 O GLN A 114 10.937 4.870 29.883 1.00 31.23 O ATOM 1779 CB GLN A 114 11.307 4.166 32.968 1.00 30.24 C ATOM 1780 CG GLN A 114 10.831 2.899 32.274 1.00 35.12 C ATOM 1781 CD GLN A 114 11.969 2.111 31.655 1.00 24.33 C ATOM 1782 OE1 GLN A 114 11.932 1.771 30.471 1.00 44.11 O ATOM 1783 NE2 GLN A 114 12.989 1.816 32.452 1.00 70.33 N ATOM 0 H GLN A 114 11.953 6.475 33.661 1.00 13.53 H new ATOM 0 HA GLN A 114 12.858 4.697 31.579 1.00 0.02 H new ATOM 0 HB2 GLN A 114 12.008 3.896 33.758 1.00 30.24 H new ATOM 0 HB3 GLN A 114 10.456 4.649 33.448 1.00 30.24 H new ATOM 0 HG2 GLN A 114 10.307 2.270 32.994 1.00 35.12 H new ATOM 0 HG3 GLN A 114 10.112 3.162 31.498 1.00 35.12 H new ATOM 0 HE21 GLN A 114 12.979 2.117 33.426 1.00 70.33 H new ATOM 0 HE22 GLN A 114 13.783 1.288 32.090 1.00 70.33 H new ATOM 1792 N GLN A 115 10.297 6.648 31.105 1.00 61.30 N ATOM 1793 CA GLN A 115 9.342 7.125 30.112 1.00 20.05 C ATOM 1794 C GLN A 115 10.060 7.650 28.874 1.00 5.13 C ATOM 1795 O GLN A 115 9.745 7.260 27.749 1.00 14.54 O ATOM 1796 CB GLN A 115 8.459 8.222 30.708 1.00 61.23 C ATOM 1797 CG GLN A 115 7.131 7.711 31.244 1.00 65.03 C ATOM 1798 CD GLN A 115 6.182 8.833 31.615 1.00 62.42 C ATOM 1799 OE1 GLN A 115 6.496 9.675 32.457 1.00 23.03 O ATOM 1800 NE2 GLN A 115 5.011 8.851 30.988 1.00 11.24 N ATOM 0 H GLN A 115 10.355 7.223 31.946 1.00 61.30 H new ATOM 0 HA GLN A 115 8.714 6.284 29.816 1.00 20.05 H new ATOM 0 HB2 GLN A 115 9.001 8.715 31.515 1.00 61.23 H new ATOM 0 HB3 GLN A 115 8.267 8.977 29.945 1.00 61.23 H new ATOM 0 HG2 GLN A 115 6.661 7.076 30.494 1.00 65.03 H new ATOM 0 HG3 GLN A 115 7.312 7.089 32.120 1.00 65.03 H new ATOM 0 HE21 GLN A 115 4.791 8.134 30.297 1.00 11.24 H new ATOM 0 HE22 GLN A 115 4.331 9.582 31.198 1.00 11.24 H new ATOM 1809 N ILE A 116 11.026 8.537 29.088 1.00 0.13 N ATOM 1810 CA ILE A 116 11.790 9.115 27.989 1.00 32.43 C ATOM 1811 C ILE A 116 12.584 8.044 27.249 1.00 43.51 C ATOM 1812 O ILE A 116 12.788 8.135 26.038 1.00 43.43 O ATOM 1813 CB ILE A 116 12.756 10.205 28.487 1.00 52.42 C ATOM 1814 CG1 ILE A 116 12.002 11.248 29.314 1.00 35.13 C ATOM 1815 CG2 ILE A 116 13.463 10.863 27.311 1.00 64.32 C ATOM 1816 CD1 ILE A 116 12.898 12.315 29.904 1.00 14.13 C ATOM 0 H ILE A 116 11.298 8.871 30.012 1.00 0.13 H new ATOM 0 HA ILE A 116 11.070 9.566 27.306 1.00 32.43 H new ATOM 0 HB ILE A 116 13.508 9.739 29.124 1.00 52.42 H new ATOM 0 HG12 ILE A 116 11.250 11.724 28.685 1.00 35.13 H new ATOM 0 HG13 ILE A 116 11.470 10.744 30.121 1.00 35.13 H new ATOM 0 HG21 ILE A 116 14.143 11.632 27.679 1.00 64.32 H new ATOM 0 HG22 ILE A 116 14.029 10.112 26.760 1.00 64.32 H new ATOM 0 HG23 ILE A 116 12.725 11.318 26.651 1.00 64.32 H new ATOM 0 HD11 ILE A 116 12.296 13.020 30.477 1.00 14.13 H new ATOM 0 HD12 ILE A 116 13.634 11.850 30.560 1.00 14.13 H new ATOM 0 HD13 ILE A 116 13.410 12.845 29.101 1.00 14.13 H new ATOM 1828 N GLN A 117 13.029 7.032 27.985 1.00 35.15 N ATOM 1829 CA GLN A 117 13.802 5.942 27.398 1.00 63.34 C ATOM 1830 C GLN A 117 12.897 4.990 26.623 1.00 23.02 C ATOM 1831 O GLN A 117 13.334 4.335 25.676 1.00 43.24 O ATOM 1832 CB GLN A 117 14.553 5.177 28.488 1.00 52.40 C ATOM 1833 CG GLN A 117 16.049 5.450 28.502 1.00 44.31 C ATOM 1834 CD GLN A 117 16.817 4.547 27.557 1.00 71.14 C ATOM 1835 OE1 GLN A 117 16.971 3.285 27.939 1.00 44.23 O flip ATOM 1836 NE2 GLN A 117 17.266 4.979 26.495 1.00 23.34 N flip ATOM 0 H GLN A 117 12.868 6.943 28.988 1.00 35.15 H new ATOM 0 HA GLN A 117 14.524 6.374 26.705 1.00 63.34 H new ATOM 0 HB2 GLN A 117 14.135 5.441 29.459 1.00 52.40 H new ATOM 0 HB3 GLN A 117 14.388 4.108 28.350 1.00 52.40 H new ATOM 0 HG2 GLN A 117 16.227 6.490 28.229 1.00 44.31 H new ATOM 0 HG3 GLN A 117 16.429 5.317 29.515 1.00 44.31 H new ATOM 0 HE21 GLN A 117 17.124 5.957 26.241 1.00 23.34 H new ATOM 0 HE22 GLN A 117 17.780 4.359 25.869 1.00 23.34 H new ATOM 1845 N SER A 118 11.634 4.918 27.031 1.00 12.42 N ATOM 1846 CA SER A 118 10.668 4.042 26.377 1.00 52.23 C ATOM 1847 C SER A 118 10.341 4.545 24.975 1.00 4.23 C ATOM 1848 O SER A 118 10.414 3.794 24.001 1.00 72.02 O ATOM 1849 CB SER A 118 9.389 3.948 27.209 1.00 70.43 C ATOM 1850 OG SER A 118 8.299 3.503 26.420 1.00 70.20 O ATOM 0 H SER A 118 11.256 5.455 27.811 1.00 12.42 H new ATOM 0 HA SER A 118 11.112 3.050 26.293 1.00 52.23 H new ATOM 0 HB2 SER A 118 9.543 3.262 28.042 1.00 70.43 H new ATOM 0 HB3 SER A 118 9.158 4.923 27.638 1.00 70.43 H new ATOM 0 HG SER A 118 7.493 3.450 26.975 1.00 70.20 H new ATOM 1856 N ILE A 119 9.981 5.820 24.880 1.00 4.22 N ATOM 1857 CA ILE A 119 9.643 6.425 23.597 1.00 11.04 C ATOM 1858 C ILE A 119 10.835 6.398 22.646 1.00 44.44 C ATOM 1859 O ILE A 119 10.668 6.353 21.427 1.00 73.23 O ATOM 1860 CB ILE A 119 9.170 7.880 23.768 1.00 61.41 C ATOM 1861 CG1 ILE A 119 8.606 8.414 22.449 1.00 52.24 C ATOM 1862 CG2 ILE A 119 10.314 8.756 24.255 1.00 44.04 C ATOM 1863 CD1 ILE A 119 7.565 9.496 22.631 1.00 1.04 C ATOM 0 H ILE A 119 9.916 6.455 25.676 1.00 4.22 H new ATOM 0 HA ILE A 119 8.830 5.835 23.174 1.00 11.04 H new ATOM 0 HB ILE A 119 8.378 7.903 24.516 1.00 61.41 H new ATOM 0 HG12 ILE A 119 9.425 8.806 21.846 1.00 52.24 H new ATOM 0 HG13 ILE A 119 8.166 7.588 21.890 1.00 52.24 H new ATOM 0 HG21 ILE A 119 9.963 9.781 24.371 1.00 44.04 H new ATOM 0 HG22 ILE A 119 10.673 8.385 25.215 1.00 44.04 H new ATOM 0 HG23 ILE A 119 11.127 8.730 23.529 1.00 44.04 H new ATOM 0 HD11 ILE A 119 7.210 9.827 21.655 1.00 1.04 H new ATOM 0 HD12 ILE A 119 6.728 9.102 23.207 1.00 1.04 H new ATOM 0 HD13 ILE A 119 8.006 10.340 23.162 1.00 1.04 H new ATOM 1875 N GLN A 120 12.038 6.426 23.212 1.00 30.54 N ATOM 1876 CA GLN A 120 13.257 6.404 22.414 1.00 54.11 C ATOM 1877 C GLN A 120 13.370 5.101 21.627 1.00 25.31 C ATOM 1878 O GLN A 120 13.704 5.109 20.442 1.00 73.24 O ATOM 1879 CB GLN A 120 14.483 6.578 23.312 1.00 72.25 C ATOM 1880 CG GLN A 120 15.804 6.489 22.564 1.00 71.41 C ATOM 1881 CD GLN A 120 16.999 6.431 23.494 1.00 74.14 C ATOM 1882 OE1 GLN A 120 17.003 7.289 24.509 1.00 2.41 O flip ATOM 1883 NE2 GLN A 120 17.909 5.624 23.305 1.00 33.44 N flip ATOM 0 H GLN A 120 12.194 6.464 24.219 1.00 30.54 H new ATOM 0 HA GLN A 120 13.212 7.232 21.707 1.00 54.11 H new ATOM 0 HB2 GLN A 120 14.423 7.545 23.812 1.00 72.25 H new ATOM 0 HB3 GLN A 120 14.464 5.815 24.090 1.00 72.25 H new ATOM 0 HG2 GLN A 120 15.799 5.603 21.930 1.00 71.41 H new ATOM 0 HG3 GLN A 120 15.903 7.352 21.905 1.00 71.41 H new ATOM 0 HE21 GLN A 120 17.866 4.983 22.513 1.00 33.44 H new ATOM 0 HE22 GLN A 120 18.706 5.596 23.941 1.00 33.44 H new ATOM 1892 N GLN A 121 13.089 3.987 22.293 1.00 50.15 N ATOM 1893 CA GLN A 121 13.160 2.678 21.656 1.00 12.22 C ATOM 1894 C GLN A 121 12.345 2.655 20.367 1.00 15.44 C ATOM 1895 O GLN A 121 12.667 1.924 19.430 1.00 71.12 O ATOM 1896 CB GLN A 121 12.656 1.594 22.611 1.00 11.44 C ATOM 1897 CG GLN A 121 13.557 1.378 23.816 1.00 44.32 C ATOM 1898 CD GLN A 121 14.774 0.533 23.492 1.00 31.55 C ATOM 1899 OE1 GLN A 121 14.780 -0.217 22.514 1.00 42.11 O ATOM 1900 NE2 GLN A 121 15.812 0.649 24.311 1.00 21.30 N ATOM 0 H GLN A 121 12.810 3.964 23.274 1.00 50.15 H new ATOM 0 HA GLN A 121 14.203 2.479 21.409 1.00 12.22 H new ATOM 0 HB2 GLN A 121 11.658 1.862 22.957 1.00 11.44 H new ATOM 0 HB3 GLN A 121 12.562 0.655 22.065 1.00 11.44 H new ATOM 0 HG2 GLN A 121 13.883 2.345 24.199 1.00 44.32 H new ATOM 0 HG3 GLN A 121 12.986 0.896 24.610 1.00 44.32 H new ATOM 0 HE21 GLN A 121 15.764 1.282 25.109 1.00 21.30 H new ATOM 0 HE22 GLN A 121 16.658 0.105 24.142 1.00 21.30 H new ATOM 1909 N SER A 122 11.288 3.460 20.326 1.00 55.04 N ATOM 1910 CA SER A 122 10.423 3.529 19.154 1.00 14.31 C ATOM 1911 C SER A 122 11.070 4.361 18.052 1.00 3.21 C ATOM 1912 O SER A 122 10.924 4.062 16.866 1.00 43.20 O ATOM 1913 CB SER A 122 9.066 4.125 19.530 1.00 24.02 C ATOM 1914 OG SER A 122 8.033 3.593 18.717 1.00 54.21 O ATOM 0 H SER A 122 11.010 4.074 21.092 1.00 55.04 H new ATOM 0 HA SER A 122 10.275 2.516 18.781 1.00 14.31 H new ATOM 0 HB2 SER A 122 8.852 3.917 20.578 1.00 24.02 H new ATOM 0 HB3 SER A 122 9.098 5.209 19.420 1.00 24.02 H new ATOM 0 HG SER A 122 7.175 3.988 18.978 1.00 54.21 H new ATOM 1920 N ILE A 123 11.786 5.407 18.451 1.00 22.32 N ATOM 1921 CA ILE A 123 12.457 6.282 17.497 1.00 70.24 C ATOM 1922 C ILE A 123 13.683 5.605 16.897 1.00 15.12 C ATOM 1923 O ILE A 123 13.988 5.783 15.718 1.00 75.53 O ATOM 1924 CB ILE A 123 12.887 7.606 18.156 1.00 64.24 C ATOM 1925 CG1 ILE A 123 11.691 8.273 18.840 1.00 65.03 C ATOM 1926 CG2 ILE A 123 13.498 8.539 17.120 1.00 10.40 C ATOM 1927 CD1 ILE A 123 12.066 9.481 19.671 1.00 11.10 C ATOM 0 H ILE A 123 11.916 5.669 19.428 1.00 22.32 H new ATOM 0 HA ILE A 123 11.739 6.495 16.705 1.00 70.24 H new ATOM 0 HB ILE A 123 13.641 7.390 18.913 1.00 64.24 H new ATOM 0 HG12 ILE A 123 10.970 8.574 18.080 1.00 65.03 H new ATOM 0 HG13 ILE A 123 11.194 7.543 19.479 1.00 65.03 H new ATOM 0 HG21 ILE A 123 13.797 9.470 17.601 1.00 10.40 H new ATOM 0 HG22 ILE A 123 14.372 8.064 16.673 1.00 10.40 H new ATOM 0 HG23 ILE A 123 12.763 8.751 16.343 1.00 10.40 H new ATOM 0 HD11 ILE A 123 11.169 9.902 20.126 1.00 11.10 H new ATOM 0 HD12 ILE A 123 12.764 9.182 20.453 1.00 11.10 H new ATOM 0 HD13 ILE A 123 12.536 10.230 19.033 1.00 11.10 H new ATOM 1939 N GLU A 124 14.382 4.825 17.716 1.00 41.11 N ATOM 1940 CA GLU A 124 15.576 4.119 17.264 1.00 60.21 C ATOM 1941 C GLU A 124 15.203 2.933 16.379 1.00 14.21 C ATOM 1942 O GLU A 124 15.913 2.608 15.427 1.00 43.33 O ATOM 1943 CB GLU A 124 16.395 3.638 18.464 1.00 33.24 C ATOM 1944 CG GLU A 124 17.896 3.765 18.266 1.00 41.50 C ATOM 1945 CD GLU A 124 18.400 2.952 17.090 1.00 54.51 C ATOM 1946 OE1 GLU A 124 18.193 1.721 17.087 1.00 11.13 O ATOM 1947 OE2 GLU A 124 19.003 3.547 16.172 1.00 51.40 O ATOM 0 H GLU A 124 14.143 4.666 18.695 1.00 41.11 H new ATOM 0 HA GLU A 124 16.178 4.813 16.677 1.00 60.21 H new ATOM 0 HB2 GLU A 124 16.103 4.210 19.345 1.00 33.24 H new ATOM 0 HB3 GLU A 124 16.150 2.595 18.666 1.00 33.24 H new ATOM 0 HG2 GLU A 124 18.151 4.814 18.114 1.00 41.50 H new ATOM 0 HG3 GLU A 124 18.407 3.441 19.173 1.00 41.50 H new ATOM 1954 N ARG A 125 14.086 2.289 16.701 1.00 74.01 N ATOM 1955 CA ARG A 125 13.620 1.138 15.938 1.00 4.22 C ATOM 1956 C ARG A 125 13.166 1.559 14.544 1.00 20.22 C ATOM 1957 O ARG A 125 13.516 0.925 13.547 1.00 2.31 O ATOM 1958 CB ARG A 125 12.473 0.443 16.672 1.00 33.40 C ATOM 1959 CG ARG A 125 12.933 -0.638 17.638 1.00 42.14 C ATOM 1960 CD ARG A 125 13.112 -1.974 16.935 1.00 31.23 C ATOM 1961 NE ARG A 125 11.842 -2.674 16.758 1.00 65.10 N ATOM 1962 CZ ARG A 125 11.680 -3.709 15.941 1.00 43.34 C ATOM 1963 NH1 ARG A 125 12.704 -4.163 15.231 1.00 74.35 N ATOM 1964 NH2 ARG A 125 10.494 -4.292 15.835 1.00 14.05 N ATOM 0 H ARG A 125 13.487 2.545 17.486 1.00 74.01 H new ATOM 0 HA ARG A 125 14.451 0.440 15.836 1.00 4.22 H new ATOM 0 HB2 ARG A 125 11.900 1.189 17.222 1.00 33.40 H new ATOM 0 HB3 ARG A 125 11.799 0.000 15.939 1.00 33.40 H new ATOM 0 HG2 ARG A 125 13.875 -0.339 18.099 1.00 42.14 H new ATOM 0 HG3 ARG A 125 12.204 -0.743 18.442 1.00 42.14 H new ATOM 0 HD2 ARG A 125 13.575 -1.812 15.962 1.00 31.23 H new ATOM 0 HD3 ARG A 125 13.793 -2.599 17.512 1.00 31.23 H new ATOM 0 HE ARG A 125 11.035 -2.350 17.291 1.00 65.10 H new ATOM 0 HH11 ARG A 125 13.618 -3.717 15.312 1.00 74.35 H new ATOM 0 HH12 ARG A 125 12.578 -4.958 14.604 1.00 74.35 H new ATOM 0 HH21 ARG A 125 9.705 -3.946 16.381 1.00 14.05 H new ATOM 0 HH22 ARG A 125 10.371 -5.087 15.207 1.00 14.05 H new ATOM 1978 N LEU A 126 12.383 2.630 14.481 1.00 43.20 N ATOM 1979 CA LEU A 126 11.879 3.136 13.208 1.00 12.31 C ATOM 1980 C LEU A 126 13.023 3.395 12.233 1.00 51.13 C ATOM 1981 O LEU A 126 12.972 2.980 11.075 1.00 4.32 O ATOM 1982 CB LEU A 126 11.081 4.422 13.428 1.00 44.13 C ATOM 1983 CG LEU A 126 9.572 4.253 13.606 1.00 64.51 C ATOM 1984 CD1 LEU A 126 8.938 5.560 14.059 1.00 11.11 C ATOM 1985 CD2 LEU A 126 8.933 3.768 12.313 1.00 3.41 C ATOM 0 H LEU A 126 12.083 3.165 15.296 1.00 43.20 H new ATOM 0 HA LEU A 126 11.224 2.378 12.778 1.00 12.31 H new ATOM 0 HB2 LEU A 126 11.477 4.925 14.310 1.00 44.13 H new ATOM 0 HB3 LEU A 126 11.255 5.083 12.579 1.00 44.13 H new ATOM 0 HG LEU A 126 9.398 3.502 14.377 1.00 64.51 H new ATOM 0 HD11 LEU A 126 7.864 5.420 14.180 1.00 11.11 H new ATOM 0 HD12 LEU A 126 9.374 5.865 15.010 1.00 11.11 H new ATOM 0 HD13 LEU A 126 9.121 6.332 13.311 1.00 11.11 H new ATOM 0 HD21 LEU A 126 7.859 3.653 12.459 1.00 3.41 H new ATOM 0 HD22 LEU A 126 9.116 4.495 11.522 1.00 3.41 H new ATOM 0 HD23 LEU A 126 9.365 2.808 12.031 1.00 3.41 H new ATOM 1997 N LEU A 127 14.056 4.081 12.711 1.00 12.55 N ATOM 1998 CA LEU A 127 15.216 4.393 11.882 1.00 31.32 C ATOM 1999 C LEU A 127 15.979 3.125 11.514 1.00 44.22 C ATOM 2000 O LEU A 127 16.647 3.067 10.481 1.00 23.51 O ATOM 2001 CB LEU A 127 16.142 5.367 12.613 1.00 33.31 C ATOM 2002 CG LEU A 127 15.588 6.772 12.848 1.00 22.01 C ATOM 2003 CD1 LEU A 127 16.334 7.457 13.982 1.00 62.44 C ATOM 2004 CD2 LEU A 127 15.675 7.599 11.574 1.00 64.40 C ATOM 0 H LEU A 127 14.114 4.431 13.667 1.00 12.55 H new ATOM 0 HA LEU A 127 14.861 4.860 10.963 1.00 31.32 H new ATOM 0 HB2 LEU A 127 16.402 4.934 13.579 1.00 33.31 H new ATOM 0 HB3 LEU A 127 17.067 5.454 12.044 1.00 33.31 H new ATOM 0 HG LEU A 127 14.539 6.686 13.131 1.00 22.01 H new ATOM 0 HD11 LEU A 127 15.926 8.456 14.135 1.00 62.44 H new ATOM 0 HD12 LEU A 127 16.220 6.875 14.896 1.00 62.44 H new ATOM 0 HD13 LEU A 127 17.392 7.532 13.729 1.00 62.44 H new ATOM 0 HD21 LEU A 127 15.276 8.596 11.760 1.00 64.40 H new ATOM 0 HD22 LEU A 127 16.716 7.677 11.261 1.00 64.40 H new ATOM 0 HD23 LEU A 127 15.095 7.117 10.787 1.00 64.40 H new