USER MOD reduce.3.24.130724 H: found=0, std=0, add=901, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 900 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 111 GLN : amide:sc=-0.00433 K(o=-0.0043,f=-0.7) USER MOD Set 1.2: A 115 GLN : amide:sc= 0 X(o=-0.0043,f=-0.0043) USER MOD Set 2.1: A 32 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 110 SER OG : rot 124:sc= 2.01 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 19 THR OG1 : rot 90:sc= 0.42 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= -0.0379 (180deg=-0.0379) USER MOD Single : A 21 LYS NZ :NH3+ 139:sc= 0.109 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 28 GLN : amide:sc= -0.312 K(o=-0.31,f=-4.2!) USER MOD Single : A 29 SER OG : rot -160:sc=-0.00478 USER MOD Single : A 30 CYS SG : rot -22:sc= 0.973 USER MOD Single : A 31 ASN : amide:sc= -0.412 X(o=-0.41,f=-0.38!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -1.38 K(o=-1.4,f=-2.5) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc=-0.00152 X(o=-0.0015,f=0) USER MOD Single : A 43 THR OG1 : rot -68:sc= 1.19 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 62:sc= 0.944 USER MOD Single : A 47 ASN : amide:sc= -0.0172 X(o=-0.017,f=-0.017) USER MOD Single : A 51 SER OG : rot -140:sc= -1.62! USER MOD Single : A 56 MET CE :methyl 179:sc= -1.51 (180deg=-1.56) USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.0026) USER MOD Single : A 80 TYR OH : rot 180:sc= -3.74! 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 -24:sc= -0.79 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 102 CYS SG : rot -28:sc= -2.19 USER MOD Single : A 103 SER OG : rot 160:sc= -0.237 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 GLN : amide:sc= -0.0948 K(o=-0.095,f=-1.5!) USER MOD Single : A 117 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 120 GLN : amide:sc= -0.672 K(o=-0.67,f=-0.027) USER MOD Single : A 121 GLN : amide:sc= -0.135 K(o=-0.13,f=-2.3!) USER MOD Single : A 122 SER OG : rot 130:sc= -0.0953 USER MOD ----------------------------------------------------------------- ATOM 135 N ALA A 10 11.508 14.605 6.905 1.00 32.34 N ATOM 136 CA ALA A 10 10.589 13.674 7.547 1.00 31.34 C ATOM 137 C ALA A 10 10.887 12.235 7.135 1.00 44.34 C ATOM 138 O ALA A 10 10.149 11.638 6.352 1.00 62.30 O ATOM 139 CB ALA A 10 9.149 14.034 7.207 1.00 1.54 C ATOM 0 HA ALA A 10 10.727 13.752 8.625 1.00 31.34 H new ATOM 0 HB1 ALA A 10 8.473 13.330 7.693 1.00 1.54 H new ATOM 0 HB2 ALA A 10 8.934 15.044 7.557 1.00 1.54 H new ATOM 0 HB3 ALA A 10 9.007 13.986 6.127 1.00 1.54 H new ATOM 145 N TYR A 11 11.974 11.687 7.667 1.00 45.42 N ATOM 146 CA TYR A 11 12.372 10.320 7.351 1.00 11.41 C ATOM 147 C TYR A 11 13.324 9.772 8.410 1.00 32.12 C ATOM 148 O TYR A 11 14.533 9.995 8.370 1.00 5.12 O ATOM 149 CB TYR A 11 13.036 10.265 5.974 1.00 11.42 C ATOM 150 CG TYR A 11 12.378 9.291 5.023 1.00 51.32 C ATOM 151 CD1 TYR A 11 11.261 9.661 4.284 1.00 64.32 C ATOM 152 CD2 TYR A 11 12.871 8.003 4.864 1.00 10.15 C ATOM 153 CE1 TYR A 11 10.656 8.775 3.414 1.00 64.33 C ATOM 154 CE2 TYR A 11 12.273 7.111 3.996 1.00 65.12 C ATOM 155 CZ TYR A 11 11.165 7.502 3.272 1.00 14.35 C ATOM 156 OH TYR A 11 10.565 6.615 2.407 1.00 5.42 O ATOM 0 H TYR A 11 12.595 12.168 8.318 1.00 45.42 H new ATOM 0 HA TYR A 11 11.475 9.701 7.339 1.00 11.41 H new ATOM 0 HB2 TYR A 11 13.018 11.261 5.531 1.00 11.42 H new ATOM 0 HB3 TYR A 11 14.084 9.989 6.096 1.00 11.42 H new ATOM 0 HD1 TYR A 11 10.859 10.658 4.392 1.00 64.32 H new ATOM 0 HD2 TYR A 11 13.738 7.693 5.429 1.00 10.15 H new ATOM 0 HE1 TYR A 11 9.788 9.078 2.848 1.00 64.33 H new ATOM 0 HE2 TYR A 11 12.670 6.113 3.884 1.00 65.12 H new ATOM 0 HH TYR A 11 11.048 5.763 2.425 1.00 5.42 H new ATOM 166 N PRO A 12 12.765 9.035 9.382 1.00 50.35 N ATOM 167 CA PRO A 12 11.326 8.763 9.440 1.00 73.13 C ATOM 168 C PRO A 12 10.514 10.007 9.783 1.00 45.34 C ATOM 169 O PRO A 12 11.070 11.040 10.157 1.00 60.35 O ATOM 170 CB PRO A 12 11.207 7.723 10.558 1.00 24.31 C ATOM 171 CG PRO A 12 12.398 7.957 11.420 1.00 33.41 C ATOM 172 CD PRO A 12 13.495 8.411 10.498 1.00 53.54 C ATOM 0 HA PRO A 12 10.936 8.425 8.480 1.00 73.13 H new ATOM 0 HB2 PRO A 12 10.281 7.849 11.119 1.00 24.31 H new ATOM 0 HB3 PRO A 12 11.201 6.709 10.157 1.00 24.31 H new ATOM 0 HG2 PRO A 12 12.189 8.712 12.178 1.00 33.41 H new ATOM 0 HG3 PRO A 12 12.683 7.046 11.947 1.00 33.41 H new ATOM 0 HD2 PRO A 12 14.164 9.119 10.987 1.00 53.54 H new ATOM 0 HD3 PRO A 12 14.108 7.575 10.160 1.00 53.54 H new ATOM 180 N LEU A 13 9.196 9.903 9.651 1.00 11.24 N ATOM 181 CA LEU A 13 8.306 11.021 9.947 1.00 21.10 C ATOM 182 C LEU A 13 7.443 10.720 11.168 1.00 51.41 C ATOM 183 O LEU A 13 6.839 9.654 11.266 1.00 35.22 O ATOM 184 CB LEU A 13 7.416 11.322 8.740 1.00 12.52 C ATOM 185 CG LEU A 13 6.184 12.185 9.015 1.00 44.05 C ATOM 186 CD1 LEU A 13 6.575 13.452 9.759 1.00 51.44 C ATOM 187 CD2 LEU A 13 5.472 12.527 7.713 1.00 14.23 C ATOM 0 H LEU A 13 8.720 9.056 9.341 1.00 11.24 H new ATOM 0 HA LEU A 13 8.919 11.895 10.165 1.00 21.10 H new ATOM 0 HB2 LEU A 13 8.021 11.819 7.982 1.00 12.52 H new ATOM 0 HB3 LEU A 13 7.084 10.376 8.313 1.00 12.52 H new ATOM 0 HG LEU A 13 5.498 11.617 9.643 1.00 44.05 H new ATOM 0 HD11 LEU A 13 5.685 14.053 9.946 1.00 51.44 H new ATOM 0 HD12 LEU A 13 7.040 13.187 10.709 1.00 51.44 H new ATOM 0 HD13 LEU A 13 7.280 14.025 9.157 1.00 51.44 H new ATOM 0 HD21 LEU A 13 4.598 13.142 7.927 1.00 14.23 H new ATOM 0 HD22 LEU A 13 6.151 13.076 7.061 1.00 14.23 H new ATOM 0 HD23 LEU A 13 5.157 11.608 7.218 1.00 14.23 H new ATOM 199 N ALA A 14 7.388 11.671 12.096 1.00 3.10 N ATOM 200 CA ALA A 14 6.596 11.511 13.308 1.00 74.24 C ATOM 201 C ALA A 14 5.147 11.925 13.075 1.00 15.44 C ATOM 202 O ALA A 14 4.866 13.076 12.742 1.00 72.12 O ATOM 203 CB ALA A 14 7.202 12.319 14.446 1.00 41.42 C ATOM 0 H ALA A 14 7.883 12.560 12.030 1.00 3.10 H new ATOM 0 HA ALA A 14 6.606 10.456 13.582 1.00 74.24 H new ATOM 0 HB1 ALA A 14 6.600 12.190 15.345 1.00 41.42 H new ATOM 0 HB2 ALA A 14 8.218 11.973 14.637 1.00 41.42 H new ATOM 0 HB3 ALA A 14 7.223 13.374 14.172 1.00 41.42 H new ATOM 209 N ASP A 15 4.231 10.979 13.253 1.00 50.14 N ATOM 210 CA ASP A 15 2.809 11.247 13.063 1.00 4.22 C ATOM 211 C ASP A 15 2.189 11.821 14.333 1.00 44.33 C ATOM 212 O ASP A 15 2.845 11.908 15.371 1.00 70.40 O ATOM 213 CB ASP A 15 2.078 9.966 12.657 1.00 40.05 C ATOM 214 CG ASP A 15 2.394 8.803 13.576 1.00 11.24 C ATOM 215 OD1 ASP A 15 1.785 8.723 14.663 1.00 71.33 O ATOM 216 OD2 ASP A 15 3.252 7.972 13.210 1.00 45.45 O ATOM 0 H ASP A 15 4.447 10.021 13.528 1.00 50.14 H new ATOM 0 HA ASP A 15 2.706 11.984 12.266 1.00 4.22 H new ATOM 0 HB2 ASP A 15 1.003 10.147 12.662 1.00 40.05 H new ATOM 0 HB3 ASP A 15 2.352 9.703 11.635 1.00 40.05 H new ATOM 221 N ALA A 16 0.923 12.213 14.241 1.00 13.43 N ATOM 222 CA ALA A 16 0.215 12.778 15.383 1.00 33.00 C ATOM 223 C ALA A 16 0.132 11.775 16.530 1.00 50.24 C ATOM 224 O ALA A 16 0.290 12.136 17.697 1.00 24.00 O ATOM 225 CB ALA A 16 -1.179 13.226 14.970 1.00 50.34 C ATOM 0 H ALA A 16 0.367 12.150 13.388 1.00 13.43 H new ATOM 0 HA ALA A 16 0.775 13.645 15.733 1.00 33.00 H new ATOM 0 HB1 ALA A 16 -1.697 13.646 15.832 1.00 50.34 H new ATOM 0 HB2 ALA A 16 -1.102 13.983 14.189 1.00 50.34 H new ATOM 0 HB3 ALA A 16 -1.739 12.371 14.592 1.00 50.34 H new ATOM 231 N HIS A 17 -0.119 10.515 16.189 1.00 32.03 N ATOM 232 CA HIS A 17 -0.223 9.459 17.191 1.00 30.31 C ATOM 233 C HIS A 17 0.997 9.458 18.108 1.00 65.14 C ATOM 234 O HIS A 17 0.881 9.225 19.312 1.00 11.42 O ATOM 235 CB HIS A 17 -0.368 8.096 16.513 1.00 4.12 C ATOM 236 CG HIS A 17 -1.617 7.365 16.898 1.00 43.43 C ATOM 237 ND1 HIS A 17 -2.802 7.485 16.204 1.00 24.20 N ATOM 238 CD2 HIS A 17 -1.861 6.501 17.910 1.00 72.13 C ATOM 239 CE1 HIS A 17 -3.722 6.726 16.773 1.00 5.41 C ATOM 240 NE2 HIS A 17 -3.176 6.119 17.811 1.00 14.04 N ATOM 0 H HIS A 17 -0.254 10.200 15.228 1.00 32.03 H new ATOM 0 HA HIS A 17 -1.109 9.651 17.795 1.00 30.31 H new ATOM 0 HB2 HIS A 17 -0.356 8.234 15.432 1.00 4.12 H new ATOM 0 HB3 HIS A 17 0.496 7.480 16.765 1.00 4.12 H new ATOM 0 HD2 HIS A 17 -1.153 6.173 18.657 1.00 72.13 H new ATOM 0 HE1 HIS A 17 -4.746 6.620 16.445 1.00 5.41 H new ATOM 0 HE2 HIS A 17 -3.654 5.471 18.438 1.00 14.04 H new ATOM 248 N LEU A 18 2.164 9.718 17.531 1.00 45.41 N ATOM 249 CA LEU A 18 3.406 9.747 18.296 1.00 24.12 C ATOM 250 C LEU A 18 3.651 11.132 18.886 1.00 51.04 C ATOM 251 O LEU A 18 4.061 11.264 20.040 1.00 72.55 O ATOM 252 CB LEU A 18 4.585 9.343 17.408 1.00 74.24 C ATOM 253 CG LEU A 18 5.175 7.956 17.666 1.00 63.14 C ATOM 254 CD1 LEU A 18 5.709 7.859 19.086 1.00 70.21 C ATOM 255 CD2 LEU A 18 4.133 6.878 17.410 1.00 20.22 C ATOM 0 H LEU A 18 2.277 9.912 16.536 1.00 45.41 H new ATOM 0 HA LEU A 18 3.315 9.034 19.116 1.00 24.12 H new ATOM 0 HB2 LEU A 18 4.264 9.391 16.368 1.00 74.24 H new ATOM 0 HB3 LEU A 18 5.377 10.082 17.532 1.00 74.24 H new ATOM 0 HG LEU A 18 6.005 7.801 16.977 1.00 63.14 H new ATOM 0 HD11 LEU A 18 6.125 6.865 19.251 1.00 70.21 H new ATOM 0 HD12 LEU A 18 6.488 8.607 19.234 1.00 70.21 H new ATOM 0 HD13 LEU A 18 4.898 8.035 19.793 1.00 70.21 H new ATOM 0 HD21 LEU A 18 4.570 5.897 17.598 1.00 20.22 H new ATOM 0 HD22 LEU A 18 3.282 7.030 18.074 1.00 20.22 H new ATOM 0 HD23 LEU A 18 3.799 6.933 16.374 1.00 20.22 H new ATOM 267 N THR A 19 3.394 12.164 18.088 1.00 22.32 N ATOM 268 CA THR A 19 3.585 13.539 18.531 1.00 23.24 C ATOM 269 C THR A 19 2.762 13.834 19.779 1.00 34.15 C ATOM 270 O THR A 19 3.169 14.622 20.633 1.00 42.34 O ATOM 271 CB THR A 19 3.202 14.543 17.427 1.00 55.12 C ATOM 272 OG1 THR A 19 3.826 14.176 16.192 1.00 33.12 O ATOM 273 CG2 THR A 19 3.618 15.955 17.812 1.00 20.22 C ATOM 0 H THR A 19 3.053 12.073 17.131 1.00 22.32 H new ATOM 0 HA THR A 19 4.644 13.652 18.763 1.00 23.24 H new ATOM 0 HB THR A 19 2.119 14.520 17.306 1.00 55.12 H new ATOM 0 HG1 THR A 19 3.236 13.572 15.694 1.00 33.12 H new ATOM 0 HG21 THR A 19 3.337 16.646 17.017 1.00 20.22 H new ATOM 0 HG22 THR A 19 3.117 16.242 18.737 1.00 20.22 H new ATOM 0 HG23 THR A 19 4.698 15.989 17.958 1.00 20.22 H new ATOM 281 N LYS A 20 1.601 13.196 19.881 1.00 35.21 N ATOM 282 CA LYS A 20 0.719 13.386 21.027 1.00 44.35 C ATOM 283 C LYS A 20 1.475 13.182 22.336 1.00 23.12 C ATOM 284 O LYS A 20 1.422 14.022 23.234 1.00 14.14 O ATOM 285 CB LYS A 20 -0.465 12.420 20.953 1.00 20.22 C ATOM 286 CG LYS A 20 -1.765 13.009 21.474 1.00 43.30 C ATOM 287 CD LYS A 20 -2.273 14.121 20.572 1.00 35.12 C ATOM 288 CE LYS A 20 -2.684 15.346 21.376 1.00 64.41 C ATOM 289 NZ LYS A 20 -1.503 16.125 21.840 1.00 10.53 N ATOM 0 H LYS A 20 1.248 12.542 19.183 1.00 35.21 H new ATOM 0 HA LYS A 20 0.346 14.410 20.999 1.00 44.35 H new ATOM 0 HB2 LYS A 20 -0.606 12.110 19.918 1.00 20.22 H new ATOM 0 HB3 LYS A 20 -0.227 11.523 21.525 1.00 20.22 H new ATOM 0 HG2 LYS A 20 -2.518 12.224 21.546 1.00 43.30 H new ATOM 0 HG3 LYS A 20 -1.612 13.397 22.481 1.00 43.30 H new ATOM 0 HD2 LYS A 20 -1.496 14.396 19.859 1.00 35.12 H new ATOM 0 HD3 LYS A 20 -3.124 13.762 19.993 1.00 35.12 H new ATOM 0 HE2 LYS A 20 -3.323 15.984 20.765 1.00 64.41 H new ATOM 0 HE3 LYS A 20 -3.275 15.034 22.237 1.00 64.41 H new ATOM 0 HZ1 LYS A 20 -1.824 16.951 22.384 1.00 10.53 H new ATOM 0 HZ2 LYS A 20 -0.906 15.524 22.443 1.00 10.53 H new ATOM 0 HZ3 LYS A 20 -0.953 16.444 21.017 1.00 10.53 H new ATOM 303 N LYS A 21 2.181 12.060 22.436 1.00 11.22 N ATOM 304 CA LYS A 21 2.952 11.746 23.633 1.00 32.13 C ATOM 305 C LYS A 21 4.152 12.677 23.769 1.00 52.22 C ATOM 306 O LYS A 21 4.569 13.011 24.879 1.00 21.22 O ATOM 307 CB LYS A 21 3.424 10.290 23.592 1.00 73.12 C ATOM 308 CG LYS A 21 2.309 9.283 23.810 1.00 34.02 C ATOM 309 CD LYS A 21 1.917 8.594 22.514 1.00 4.31 C ATOM 310 CE LYS A 21 1.008 7.402 22.768 1.00 11.12 C ATOM 311 NZ LYS A 21 -0.081 7.310 21.757 1.00 52.22 N ATOM 0 H LYS A 21 2.235 11.353 21.702 1.00 11.22 H new ATOM 0 HA LYS A 21 2.305 11.889 24.499 1.00 32.13 H new ATOM 0 HB2 LYS A 21 3.894 10.096 22.628 1.00 73.12 H new ATOM 0 HB3 LYS A 21 4.189 10.143 24.354 1.00 73.12 H new ATOM 0 HG2 LYS A 21 2.629 8.537 24.537 1.00 34.02 H new ATOM 0 HG3 LYS A 21 1.440 9.787 24.232 1.00 34.02 H new ATOM 0 HD2 LYS A 21 1.411 9.306 21.861 1.00 4.31 H new ATOM 0 HD3 LYS A 21 2.814 8.263 21.991 1.00 4.31 H new ATOM 0 HE2 LYS A 21 1.598 6.485 22.751 1.00 11.12 H new ATOM 0 HE3 LYS A 21 0.573 7.483 23.764 1.00 11.12 H new ATOM 0 HZ1 LYS A 21 -0.218 6.316 21.484 1.00 52.22 H new ATOM 0 HZ2 LYS A 21 -0.963 7.683 22.162 1.00 52.22 H new ATOM 0 HZ3 LYS A 21 0.177 7.867 20.917 1.00 52.22 H new ATOM 325 N LEU A 22 4.701 13.095 22.634 1.00 3.30 N ATOM 326 CA LEU A 22 5.854 13.990 22.627 1.00 71.23 C ATOM 327 C LEU A 22 5.517 15.316 23.302 1.00 65.33 C ATOM 328 O LEU A 22 6.254 15.789 24.167 1.00 1.32 O ATOM 329 CB LEU A 22 6.321 14.239 21.191 1.00 53.31 C ATOM 330 CG LEU A 22 7.493 13.385 20.709 1.00 33.14 C ATOM 331 CD1 LEU A 22 7.709 13.569 19.215 1.00 1.24 C ATOM 332 CD2 LEU A 22 8.759 13.732 21.480 1.00 11.00 C ATOM 0 H LEU A 22 4.367 12.829 21.707 1.00 3.30 H new ATOM 0 HA LEU A 22 6.658 13.513 23.187 1.00 71.23 H new ATOM 0 HB2 LEU A 22 5.477 14.073 20.522 1.00 53.31 H new ATOM 0 HB3 LEU A 22 6.600 15.289 21.098 1.00 53.31 H new ATOM 0 HG LEU A 22 7.255 12.338 20.894 1.00 33.14 H new ATOM 0 HD11 LEU A 22 8.548 12.953 18.890 1.00 1.24 H new ATOM 0 HD12 LEU A 22 6.809 13.270 18.678 1.00 1.24 H new ATOM 0 HD13 LEU A 22 7.925 14.616 19.005 1.00 1.24 H new ATOM 0 HD21 LEU A 22 9.583 13.114 21.123 1.00 11.00 H new ATOM 0 HD22 LEU A 22 9.001 14.784 21.327 1.00 11.00 H new ATOM 0 HD23 LEU A 22 8.600 13.547 22.542 1.00 11.00 H new ATOM 344 N LEU A 23 4.398 15.910 22.901 1.00 4.54 N ATOM 345 CA LEU A 23 3.962 17.182 23.469 1.00 24.04 C ATOM 346 C LEU A 23 3.872 17.097 24.989 1.00 35.23 C ATOM 347 O LEU A 23 4.159 18.065 25.694 1.00 23.24 O ATOM 348 CB LEU A 23 2.606 17.583 22.888 1.00 42.22 C ATOM 349 CG LEU A 23 2.584 18.870 22.061 1.00 44.31 C ATOM 350 CD1 LEU A 23 3.058 18.600 20.642 1.00 61.52 C ATOM 351 CD2 LEU A 23 1.189 19.476 22.054 1.00 3.21 C ATOM 0 H LEU A 23 3.777 15.532 22.186 1.00 4.54 H new ATOM 0 HA LEU A 23 4.701 17.941 23.209 1.00 24.04 H new ATOM 0 HB2 LEU A 23 2.245 16.767 22.262 1.00 42.22 H new ATOM 0 HB3 LEU A 23 1.898 17.691 23.710 1.00 42.22 H new ATOM 0 HG LEU A 23 3.266 19.586 22.520 1.00 44.31 H new ATOM 0 HD11 LEU A 23 3.036 19.527 20.068 1.00 61.52 H new ATOM 0 HD12 LEU A 23 4.077 18.213 20.666 1.00 61.52 H new ATOM 0 HD13 LEU A 23 2.402 17.867 20.173 1.00 61.52 H new ATOM 0 HD21 LEU A 23 1.193 20.391 21.461 1.00 3.21 H new ATOM 0 HD22 LEU A 23 0.486 18.765 21.620 1.00 3.21 H new ATOM 0 HD23 LEU A 23 0.888 19.707 23.076 1.00 3.21 H new ATOM 363 N ASP A 24 3.473 15.933 25.488 1.00 33.55 N ATOM 364 CA ASP A 24 3.349 15.719 26.926 1.00 71.44 C ATOM 365 C ASP A 24 4.720 15.552 27.572 1.00 12.11 C ATOM 366 O ASP A 24 4.916 15.901 28.737 1.00 1.01 O ATOM 367 CB ASP A 24 2.486 14.488 27.207 1.00 32.40 C ATOM 368 CG ASP A 24 1.334 14.790 28.147 1.00 24.05 C ATOM 369 OD1 ASP A 24 1.590 15.339 29.239 1.00 52.33 O ATOM 370 OD2 ASP A 24 0.179 14.476 27.792 1.00 20.43 O ATOM 0 H ASP A 24 3.230 15.122 24.919 1.00 33.55 H new ATOM 0 HA ASP A 24 2.869 16.597 27.358 1.00 71.44 H new ATOM 0 HB2 ASP A 24 2.092 14.102 26.267 1.00 32.40 H new ATOM 0 HB3 ASP A 24 3.107 13.703 27.639 1.00 32.40 H new ATOM 375 N LEU A 25 5.667 15.016 26.809 1.00 34.30 N ATOM 376 CA LEU A 25 7.021 14.801 27.307 1.00 43.44 C ATOM 377 C LEU A 25 7.761 16.126 27.458 1.00 52.23 C ATOM 378 O LEU A 25 8.431 16.364 28.464 1.00 52.53 O ATOM 379 CB LEU A 25 7.793 13.878 26.363 1.00 61.35 C ATOM 380 CG LEU A 25 8.189 12.516 26.931 1.00 12.30 C ATOM 381 CD1 LEU A 25 8.974 12.686 28.223 1.00 14.03 C ATOM 382 CD2 LEU A 25 6.956 11.655 27.163 1.00 30.13 C ATOM 0 H LEU A 25 5.522 14.722 25.843 1.00 34.30 H new ATOM 0 HA LEU A 25 6.951 14.330 28.288 1.00 43.44 H new ATOM 0 HB2 LEU A 25 7.188 13.715 25.471 1.00 61.35 H new ATOM 0 HB3 LEU A 25 8.699 14.393 26.044 1.00 61.35 H new ATOM 0 HG LEU A 25 8.827 12.012 26.205 1.00 12.30 H new ATOM 0 HD11 LEU A 25 9.248 11.706 28.614 1.00 14.03 H new ATOM 0 HD12 LEU A 25 9.877 13.264 28.027 1.00 14.03 H new ATOM 0 HD13 LEU A 25 8.360 13.210 28.955 1.00 14.03 H new ATOM 0 HD21 LEU A 25 7.258 10.689 27.568 1.00 30.13 H new ATOM 0 HD22 LEU A 25 6.292 12.153 27.870 1.00 30.13 H new ATOM 0 HD23 LEU A 25 6.434 11.505 26.218 1.00 30.13 H new ATOM 394 N VAL A 26 7.634 16.988 26.454 1.00 2.02 N ATOM 395 CA VAL A 26 8.288 18.291 26.477 1.00 61.24 C ATOM 396 C VAL A 26 7.975 19.040 27.768 1.00 64.11 C ATOM 397 O VAL A 26 8.865 19.618 28.392 1.00 22.52 O ATOM 398 CB VAL A 26 7.859 19.155 25.277 1.00 73.15 C ATOM 399 CG1 VAL A 26 8.569 20.500 25.306 1.00 24.32 C ATOM 400 CG2 VAL A 26 8.132 18.427 23.970 1.00 21.23 C ATOM 0 H VAL A 26 7.084 16.807 25.614 1.00 2.02 H new ATOM 0 HA VAL A 26 9.361 18.108 26.418 1.00 61.24 H new ATOM 0 HB VAL A 26 6.786 19.336 25.348 1.00 73.15 H new ATOM 0 HG11 VAL A 26 8.253 21.097 24.450 1.00 24.32 H new ATOM 0 HG12 VAL A 26 8.317 21.025 26.227 1.00 24.32 H new ATOM 0 HG13 VAL A 26 9.647 20.344 25.261 1.00 24.32 H new ATOM 0 HG21 VAL A 26 7.822 19.053 23.133 1.00 21.23 H new ATOM 0 HG22 VAL A 26 9.198 18.213 23.888 1.00 21.23 H new ATOM 0 HG23 VAL A 26 7.572 17.492 23.950 1.00 21.23 H new ATOM 410 N GLN A 27 6.706 19.026 28.160 1.00 73.03 N ATOM 411 CA GLN A 27 6.275 19.705 29.377 1.00 22.25 C ATOM 412 C GLN A 27 6.970 19.119 30.602 1.00 22.54 C ATOM 413 O GLN A 27 7.210 19.819 31.585 1.00 70.42 O ATOM 414 CB GLN A 27 4.758 19.598 29.537 1.00 3.25 C ATOM 415 CG GLN A 27 4.220 20.339 30.750 1.00 11.12 C ATOM 416 CD GLN A 27 2.736 20.112 30.962 1.00 43.40 C ATOM 417 OE1 GLN A 27 1.974 19.973 30.004 1.00 3.55 O ATOM 418 NE2 GLN A 27 2.317 20.074 32.222 1.00 22.42 N ATOM 0 H GLN A 27 5.958 18.552 27.653 1.00 73.03 H new ATOM 0 HA GLN A 27 6.550 20.756 29.293 1.00 22.25 H new ATOM 0 HB2 GLN A 27 4.278 19.990 28.640 1.00 3.25 H new ATOM 0 HB3 GLN A 27 4.482 18.546 29.613 1.00 3.25 H new ATOM 0 HG2 GLN A 27 4.763 20.017 31.638 1.00 11.12 H new ATOM 0 HG3 GLN A 27 4.407 21.406 30.631 1.00 11.12 H new ATOM 0 HE21 GLN A 27 2.983 20.194 32.985 1.00 22.42 H new ATOM 0 HE22 GLN A 27 1.329 19.925 32.427 1.00 22.42 H new ATOM 427 N GLN A 28 7.290 17.830 30.535 1.00 41.11 N ATOM 428 CA GLN A 28 7.956 17.150 31.640 1.00 44.33 C ATOM 429 C GLN A 28 9.427 17.547 31.715 1.00 14.31 C ATOM 430 O GLN A 28 10.013 17.592 32.797 1.00 33.23 O ATOM 431 CB GLN A 28 7.833 15.634 31.483 1.00 64.45 C ATOM 432 CG GLN A 28 6.402 15.129 31.563 1.00 71.44 C ATOM 433 CD GLN A 28 5.989 14.767 32.976 1.00 12.31 C ATOM 434 OE1 GLN A 28 6.833 14.482 33.827 1.00 54.45 O ATOM 435 NE2 GLN A 28 4.687 14.776 33.234 1.00 54.43 N ATOM 0 H GLN A 28 7.099 17.236 29.728 1.00 41.11 H new ATOM 0 HA GLN A 28 7.468 17.453 32.567 1.00 44.33 H new ATOM 0 HB2 GLN A 28 8.260 15.340 30.524 1.00 64.45 H new ATOM 0 HB3 GLN A 28 8.425 15.147 32.258 1.00 64.45 H new ATOM 0 HG2 GLN A 28 5.729 15.894 31.176 1.00 71.44 H new ATOM 0 HG3 GLN A 28 6.293 14.255 30.921 1.00 71.44 H new ATOM 0 HE21 GLN A 28 4.023 15.018 32.499 1.00 54.43 H new ATOM 0 HE22 GLN A 28 4.350 14.541 34.168 1.00 54.43 H new ATOM 444 N SER A 29 10.018 17.835 30.560 1.00 53.32 N ATOM 445 CA SER A 29 11.422 18.224 30.495 1.00 12.02 C ATOM 446 C SER A 29 11.659 19.530 31.248 1.00 63.04 C ATOM 447 O SER A 29 12.542 19.617 32.100 1.00 13.13 O ATOM 448 CB SER A 29 11.865 18.374 29.039 1.00 73.44 C ATOM 449 OG SER A 29 13.243 18.077 28.891 1.00 13.12 O ATOM 0 H SER A 29 9.546 17.806 29.656 1.00 53.32 H new ATOM 0 HA SER A 29 12.013 17.440 30.968 1.00 12.02 H new ATOM 0 HB2 SER A 29 11.277 17.709 28.406 1.00 73.44 H new ATOM 0 HB3 SER A 29 11.671 19.391 28.700 1.00 73.44 H new ATOM 0 HG SER A 29 13.575 18.472 28.058 1.00 13.12 H new ATOM 455 N CYS A 30 10.864 20.544 30.923 1.00 13.11 N ATOM 456 CA CYS A 30 10.986 21.848 31.567 1.00 30.11 C ATOM 457 C CYS A 30 10.550 21.776 33.027 1.00 72.32 C ATOM 458 O CYS A 30 11.007 22.557 33.860 1.00 0.04 O ATOM 459 CB CYS A 30 10.148 22.888 30.822 1.00 5.13 C ATOM 460 SG CYS A 30 8.364 22.623 30.942 1.00 0.11 S ATOM 0 H CYS A 30 10.129 20.489 30.218 1.00 13.11 H new ATOM 0 HA CYS A 30 12.034 22.146 31.534 1.00 30.11 H new ATOM 0 HB2 CYS A 30 10.385 23.877 31.214 1.00 5.13 H new ATOM 0 HB3 CYS A 30 10.435 22.884 29.770 1.00 5.13 H new ATOM 0 HG CYS A 30 8.129 21.379 31.237 1.00 0.11 H new ATOM 466 N ASN A 31 9.659 20.836 33.328 1.00 5.34 N ATOM 467 CA ASN A 31 9.159 20.665 34.687 1.00 32.44 C ATOM 468 C ASN A 31 10.272 20.202 35.622 1.00 12.53 C ATOM 469 O ASN A 31 10.226 20.447 36.828 1.00 62.14 O ATOM 470 CB ASN A 31 8.010 19.653 34.706 1.00 45.33 C ATOM 471 CG ASN A 31 7.220 19.700 35.999 1.00 13.53 C ATOM 472 OD1 ASN A 31 7.778 19.547 37.086 1.00 4.43 O ATOM 473 ND2 ASN A 31 5.915 19.912 35.888 1.00 40.03 N ATOM 0 H ASN A 31 9.269 20.182 32.649 1.00 5.34 H new ATOM 0 HA ASN A 31 8.792 21.630 35.036 1.00 32.44 H new ATOM 0 HB2 ASN A 31 7.342 19.850 33.868 1.00 45.33 H new ATOM 0 HB3 ASN A 31 8.411 18.649 34.565 1.00 45.33 H new ATOM 0 HD21 ASN A 31 5.332 19.954 36.724 1.00 40.03 H new ATOM 0 HD22 ASN A 31 5.495 20.033 34.967 1.00 40.03 H new ATOM 480 N TYR A 32 11.272 19.535 35.059 1.00 24.42 N ATOM 481 CA TYR A 32 12.398 19.037 35.841 1.00 75.44 C ATOM 482 C TYR A 32 13.602 19.965 35.715 1.00 35.31 C ATOM 483 O TYR A 32 14.746 19.540 35.869 1.00 23.14 O ATOM 484 CB TYR A 32 12.777 17.625 35.388 1.00 53.24 C ATOM 485 CG TYR A 32 12.800 16.614 36.512 1.00 3.40 C ATOM 486 CD1 TYR A 32 13.942 16.429 37.283 1.00 25.10 C ATOM 487 CD2 TYR A 32 11.681 15.844 36.804 1.00 64.13 C ATOM 488 CE1 TYR A 32 13.969 15.506 38.309 1.00 55.42 C ATOM 489 CE2 TYR A 32 11.698 14.919 37.830 1.00 44.53 C ATOM 490 CZ TYR A 32 12.844 14.754 38.580 1.00 53.33 C ATOM 491 OH TYR A 32 12.866 13.834 39.603 1.00 61.53 O ATOM 0 H TYR A 32 11.327 19.326 34.062 1.00 24.42 H new ATOM 0 HA TYR A 32 12.095 19.006 36.888 1.00 75.44 H new ATOM 0 HB2 TYR A 32 12.069 17.294 34.628 1.00 53.24 H new ATOM 0 HB3 TYR A 32 13.760 17.655 34.917 1.00 53.24 H new ATOM 0 HD1 TYR A 32 14.823 17.018 37.076 1.00 25.10 H new ATOM 0 HD2 TYR A 32 10.782 15.971 36.219 1.00 64.13 H new ATOM 0 HE1 TYR A 32 14.865 15.373 38.896 1.00 55.42 H new ATOM 0 HE2 TYR A 32 10.819 14.329 38.044 1.00 44.53 H new ATOM 0 HH TYR A 32 11.994 13.390 39.662 1.00 61.53 H new ATOM 501 N LYS A 33 13.334 21.236 35.435 1.00 20.02 N ATOM 502 CA LYS A 33 14.393 22.227 35.290 1.00 53.10 C ATOM 503 C LYS A 33 15.364 21.827 34.184 1.00 42.12 C ATOM 504 O LYS A 33 16.580 21.920 34.350 1.00 71.20 O ATOM 505 CB LYS A 33 15.149 22.393 36.610 1.00 54.41 C ATOM 506 CG LYS A 33 14.242 22.642 37.803 1.00 42.53 C ATOM 507 CD LYS A 33 14.475 21.623 38.905 1.00 63.43 C ATOM 508 CE LYS A 33 13.227 21.417 39.747 1.00 54.24 C ATOM 509 NZ LYS A 33 12.960 22.581 40.637 1.00 74.24 N ATOM 0 H LYS A 33 12.392 21.604 35.304 1.00 20.02 H new ATOM 0 HA LYS A 33 13.932 23.177 35.020 1.00 53.10 H new ATOM 0 HB2 LYS A 33 15.741 21.497 36.795 1.00 54.41 H new ATOM 0 HB3 LYS A 33 15.849 23.224 36.516 1.00 54.41 H new ATOM 0 HG2 LYS A 33 14.418 23.645 38.191 1.00 42.53 H new ATOM 0 HG3 LYS A 33 13.201 22.602 37.484 1.00 42.53 H new ATOM 0 HD2 LYS A 33 14.779 20.673 38.465 1.00 63.43 H new ATOM 0 HD3 LYS A 33 15.294 21.956 39.542 1.00 63.43 H new ATOM 0 HE2 LYS A 33 12.370 21.256 39.093 1.00 54.24 H new ATOM 0 HE3 LYS A 33 13.341 20.517 40.351 1.00 54.24 H new ATOM 0 HZ1 LYS A 33 12.101 22.402 41.195 1.00 74.24 H new ATOM 0 HZ2 LYS A 33 13.767 22.720 41.279 1.00 74.24 H new ATOM 0 HZ3 LYS A 33 12.826 23.436 40.060 1.00 74.24 H new ATOM 523 N GLN A 34 14.819 21.385 33.055 1.00 54.32 N ATOM 524 CA GLN A 34 15.638 20.973 31.921 1.00 40.12 C ATOM 525 C GLN A 34 14.978 21.363 30.603 1.00 2.11 C ATOM 526 O GLN A 34 13.779 21.157 30.412 1.00 51.22 O ATOM 527 CB GLN A 34 15.876 19.463 31.960 1.00 23.34 C ATOM 528 CG GLN A 34 16.993 19.047 32.902 1.00 14.12 C ATOM 529 CD GLN A 34 16.583 17.921 33.832 1.00 4.20 C ATOM 530 OE1 GLN A 34 16.758 18.009 35.048 1.00 52.32 O ATOM 531 NE2 GLN A 34 16.034 16.855 33.264 1.00 33.24 N ATOM 0 H GLN A 34 13.814 21.303 32.901 1.00 54.32 H new ATOM 0 HA GLN A 34 16.597 21.486 31.991 1.00 40.12 H new ATOM 0 HB2 GLN A 34 14.954 18.966 32.262 1.00 23.34 H new ATOM 0 HB3 GLN A 34 16.112 19.115 30.954 1.00 23.34 H new ATOM 0 HG2 GLN A 34 17.858 18.734 32.318 1.00 14.12 H new ATOM 0 HG3 GLN A 34 17.303 19.908 33.494 1.00 14.12 H new ATOM 0 HE21 GLN A 34 15.908 16.824 32.252 1.00 33.24 H new ATOM 0 HE22 GLN A 34 15.738 16.066 33.839 1.00 33.24 H new ATOM 540 N LEU A 35 15.768 21.927 29.696 1.00 40.21 N ATOM 541 CA LEU A 35 15.261 22.347 28.394 1.00 24.14 C ATOM 542 C LEU A 35 16.406 22.707 27.453 1.00 11.30 C ATOM 543 O LEU A 35 17.481 23.116 27.896 1.00 71.03 O ATOM 544 CB LEU A 35 14.320 23.542 28.552 1.00 61.00 C ATOM 545 CG LEU A 35 13.000 23.464 27.785 1.00 20.45 C ATOM 546 CD1 LEU A 35 12.010 24.486 28.319 1.00 51.33 C ATOM 547 CD2 LEU A 35 13.235 23.673 26.295 1.00 12.50 C ATOM 0 H LEU A 35 16.762 22.104 29.838 1.00 40.21 H new ATOM 0 HA LEU A 35 14.709 21.513 27.961 1.00 24.14 H new ATOM 0 HB2 LEU A 35 14.095 23.664 29.611 1.00 61.00 H new ATOM 0 HB3 LEU A 35 14.849 24.440 28.234 1.00 61.00 H new ATOM 0 HG LEU A 35 12.577 22.470 27.930 1.00 20.45 H new ATOM 0 HD11 LEU A 35 11.077 24.415 27.760 1.00 51.33 H new ATOM 0 HD12 LEU A 35 11.817 24.289 29.374 1.00 51.33 H new ATOM 0 HD13 LEU A 35 12.425 25.488 28.206 1.00 51.33 H new ATOM 0 HD21 LEU A 35 12.284 23.614 25.765 1.00 12.50 H new ATOM 0 HD22 LEU A 35 13.682 24.654 26.131 1.00 12.50 H new ATOM 0 HD23 LEU A 35 13.907 22.901 25.921 1.00 12.50 H new ATOM 559 N ARG A 36 16.169 22.556 26.155 1.00 62.31 N ATOM 560 CA ARG A 36 17.180 22.867 25.152 1.00 4.52 C ATOM 561 C ARG A 36 16.540 23.459 23.900 1.00 25.34 C ATOM 562 O ARG A 36 15.856 22.761 23.151 1.00 55.14 O ATOM 563 CB ARG A 36 17.973 21.611 24.789 1.00 31.22 C ATOM 564 CG ARG A 36 19.458 21.718 25.093 1.00 11.15 C ATOM 565 CD ARG A 36 19.719 21.753 26.591 1.00 72.05 C ATOM 566 NE ARG A 36 21.055 21.268 26.926 1.00 61.05 N ATOM 567 CZ ARG A 36 22.168 21.948 26.673 1.00 62.10 C ATOM 568 NH1 ARG A 36 22.105 23.135 26.086 1.00 43.33 N ATOM 569 NH2 ARG A 36 23.347 21.440 27.008 1.00 4.22 N ATOM 0 H ARG A 36 15.285 22.220 25.773 1.00 62.31 H new ATOM 0 HA ARG A 36 17.860 23.607 25.575 1.00 4.52 H new ATOM 0 HB2 ARG A 36 17.560 20.761 25.333 1.00 31.22 H new ATOM 0 HB3 ARG A 36 17.842 21.404 23.727 1.00 31.22 H new ATOM 0 HG2 ARG A 36 19.983 20.871 24.651 1.00 11.15 H new ATOM 0 HG3 ARG A 36 19.861 22.619 24.631 1.00 11.15 H new ATOM 0 HD2 ARG A 36 19.602 22.774 26.955 1.00 72.05 H new ATOM 0 HD3 ARG A 36 18.974 21.144 27.103 1.00 72.05 H new ATOM 0 HE ARG A 36 21.138 20.358 27.379 1.00 61.05 H new ATOM 0 HH11 ARG A 36 21.200 23.529 25.827 1.00 43.33 H new ATOM 0 HH12 ARG A 36 22.961 23.655 25.893 1.00 43.33 H new ATOM 0 HH21 ARG A 36 23.399 20.527 27.460 1.00 4.22 H new ATOM 0 HH22 ARG A 36 24.201 21.962 26.814 1.00 4.22 H new ATOM 583 N LYS A 37 16.767 24.749 23.677 1.00 21.14 N ATOM 584 CA LYS A 37 16.214 25.435 22.515 1.00 21.14 C ATOM 585 C LYS A 37 17.324 25.899 21.578 1.00 2.32 C ATOM 586 O LYS A 37 17.735 27.058 21.614 1.00 64.15 O ATOM 587 CB LYS A 37 15.372 26.633 22.959 1.00 71.43 C ATOM 588 CG LYS A 37 14.429 26.322 24.108 1.00 10.42 C ATOM 589 CD LYS A 37 15.006 26.773 25.440 1.00 3.42 C ATOM 590 CE LYS A 37 14.478 28.142 25.841 1.00 74.43 C ATOM 591 NZ LYS A 37 15.438 29.228 25.505 1.00 12.54 N ATOM 0 H LYS A 37 17.331 25.341 24.287 1.00 21.14 H new ATOM 0 HA LYS A 37 15.579 24.732 21.976 1.00 21.14 H new ATOM 0 HB2 LYS A 37 16.037 27.444 23.256 1.00 71.43 H new ATOM 0 HB3 LYS A 37 14.790 26.992 22.110 1.00 71.43 H new ATOM 0 HG2 LYS A 37 13.472 26.816 23.939 1.00 10.42 H new ATOM 0 HG3 LYS A 37 14.233 25.250 24.139 1.00 10.42 H new ATOM 0 HD2 LYS A 37 14.755 26.045 26.212 1.00 3.42 H new ATOM 0 HD3 LYS A 37 16.094 26.806 25.374 1.00 3.42 H new ATOM 0 HE2 LYS A 37 13.530 28.327 25.337 1.00 74.43 H new ATOM 0 HE3 LYS A 37 14.277 28.154 26.912 1.00 74.43 H new ATOM 0 HZ1 LYS A 37 15.041 30.144 25.794 1.00 12.54 H new ATOM 0 HZ2 LYS A 37 16.335 29.066 26.006 1.00 12.54 H new ATOM 0 HZ3 LYS A 37 15.611 29.234 24.479 1.00 12.54 H new ATOM 605 N GLY A 38 17.806 24.986 20.739 1.00 0.24 N ATOM 606 CA GLY A 38 18.863 25.322 19.804 1.00 4.21 C ATOM 607 C GLY A 38 19.152 24.199 18.827 1.00 74.02 C ATOM 608 O GLY A 38 19.210 23.032 19.213 1.00 13.53 O ATOM 0 H GLY A 38 17.483 24.020 20.691 1.00 0.24 H new ATOM 0 HA2 GLY A 38 18.583 26.218 19.250 1.00 4.21 H new ATOM 0 HA3 GLY A 38 19.771 25.561 20.358 1.00 4.21 H new ATOM 612 N ALA A 39 19.331 24.552 17.558 1.00 13.23 N ATOM 613 CA ALA A 39 19.615 23.566 16.524 1.00 30.24 C ATOM 614 C ALA A 39 21.079 23.137 16.562 1.00 32.30 C ATOM 615 O ALA A 39 21.416 22.014 16.189 1.00 74.45 O ATOM 616 CB ALA A 39 19.262 24.121 15.153 1.00 14.42 C ATOM 0 H ALA A 39 19.284 25.514 17.222 1.00 13.23 H new ATOM 0 HA ALA A 39 19.000 22.687 16.717 1.00 30.24 H new ATOM 0 HB1 ALA A 39 19.480 23.373 14.391 1.00 14.42 H new ATOM 0 HB2 ALA A 39 18.201 24.371 15.124 1.00 14.42 H new ATOM 0 HB3 ALA A 39 19.852 25.017 14.961 1.00 14.42 H new ATOM 622 N ASN A 40 21.943 24.039 17.014 1.00 30.12 N ATOM 623 CA ASN A 40 23.371 23.754 17.099 1.00 10.11 C ATOM 624 C ASN A 40 23.712 23.070 18.421 1.00 65.45 C ATOM 625 O ASN A 40 24.428 22.070 18.445 1.00 31.03 O ATOM 626 CB ASN A 40 24.180 25.044 16.956 1.00 13.31 C ATOM 627 CG ASN A 40 25.588 24.792 16.454 1.00 51.12 C ATOM 628 OD1 ASN A 40 26.558 24.918 17.202 1.00 61.21 O ATOM 629 ND2 ASN A 40 25.706 24.434 15.180 1.00 0.55 N ATOM 0 H ASN A 40 21.680 24.973 17.327 1.00 30.12 H new ATOM 0 HA ASN A 40 23.630 23.079 16.283 1.00 10.11 H new ATOM 0 HB2 ASN A 40 23.667 25.717 16.268 1.00 13.31 H new ATOM 0 HB3 ASN A 40 24.226 25.549 17.921 1.00 13.31 H new ATOM 0 HD21 ASN A 40 26.628 24.251 14.785 1.00 0.55 H new ATOM 0 HD22 ASN A 40 24.874 24.342 14.597 1.00 0.55 H new ATOM 636 N GLU A 41 23.193 23.618 19.514 1.00 0.52 N ATOM 637 CA GLU A 41 23.443 23.062 20.839 1.00 23.54 C ATOM 638 C GLU A 41 23.096 21.576 20.878 1.00 35.32 C ATOM 639 O GLU A 41 23.685 20.810 21.640 1.00 23.14 O ATOM 640 CB GLU A 41 22.631 23.814 21.895 1.00 4.44 C ATOM 641 CG GLU A 41 23.296 25.093 22.374 1.00 14.41 C ATOM 642 CD GLU A 41 23.057 26.262 21.439 1.00 73.15 C ATOM 643 OE1 GLU A 41 21.880 26.633 21.243 1.00 40.43 O ATOM 644 OE2 GLU A 41 24.044 26.805 20.901 1.00 11.55 O ATOM 0 H GLU A 41 22.597 24.446 19.509 1.00 0.52 H new ATOM 0 HA GLU A 41 24.504 23.177 21.059 1.00 23.54 H new ATOM 0 HB2 GLU A 41 21.651 24.056 21.484 1.00 4.44 H new ATOM 0 HB3 GLU A 41 22.465 23.158 22.750 1.00 4.44 H new ATOM 0 HG2 GLU A 41 22.920 25.344 23.366 1.00 14.41 H new ATOM 0 HG3 GLU A 41 24.368 24.925 22.473 1.00 14.41 H new ATOM 651 N ALA A 42 22.134 21.177 20.052 1.00 54.21 N ATOM 652 CA ALA A 42 21.709 19.784 19.992 1.00 70.32 C ATOM 653 C ALA A 42 22.876 18.868 19.639 1.00 41.13 C ATOM 654 O ALA A 42 22.871 17.682 19.970 1.00 22.03 O ATOM 655 CB ALA A 42 20.582 19.620 18.983 1.00 23.41 C ATOM 0 H ALA A 42 21.635 21.798 19.416 1.00 54.21 H new ATOM 0 HA ALA A 42 21.344 19.498 20.978 1.00 70.32 H new ATOM 0 HB1 ALA A 42 20.274 18.575 18.948 1.00 23.41 H new ATOM 0 HB2 ALA A 42 19.735 20.238 19.280 1.00 23.41 H new ATOM 0 HB3 ALA A 42 20.929 19.929 17.997 1.00 23.41 H new ATOM 661 N THR A 43 23.876 19.426 18.963 1.00 61.34 N ATOM 662 CA THR A 43 25.049 18.660 18.562 1.00 73.20 C ATOM 663 C THR A 43 25.990 18.439 19.741 1.00 43.21 C ATOM 664 O THR A 43 26.756 17.477 19.766 1.00 3.25 O ATOM 665 CB THR A 43 25.819 19.362 17.429 1.00 41.25 C ATOM 666 OG1 THR A 43 26.464 20.539 17.930 1.00 72.50 O ATOM 667 CG2 THR A 43 24.882 19.737 16.290 1.00 4.24 C ATOM 0 H THR A 43 23.896 20.406 18.682 1.00 61.34 H new ATOM 0 HA THR A 43 24.689 17.696 18.202 1.00 73.20 H new ATOM 0 HB THR A 43 26.571 18.671 17.048 1.00 41.25 H new ATOM 0 HG1 THR A 43 25.787 21.208 18.164 1.00 72.50 H new ATOM 0 HG21 THR A 43 25.448 20.232 15.501 1.00 4.24 H new ATOM 0 HG22 THR A 43 24.415 18.836 15.891 1.00 4.24 H new ATOM 0 HG23 THR A 43 24.111 20.412 16.661 1.00 4.24 H new ATOM 675 N LYS A 44 25.928 19.338 20.717 1.00 31.02 N ATOM 676 CA LYS A 44 26.773 19.242 21.902 1.00 64.11 C ATOM 677 C LYS A 44 26.206 18.234 22.895 1.00 34.11 C ATOM 678 O LYS A 44 26.951 17.511 23.556 1.00 13.31 O ATOM 679 CB LYS A 44 26.908 20.612 22.569 1.00 41.40 C ATOM 680 CG LYS A 44 28.045 21.452 22.012 1.00 32.44 C ATOM 681 CD LYS A 44 29.168 21.611 23.024 1.00 44.34 C ATOM 682 CE LYS A 44 30.278 22.502 22.487 1.00 54.21 C ATOM 683 NZ LYS A 44 31.626 21.997 22.867 1.00 12.55 N ATOM 0 H LYS A 44 25.301 20.142 20.711 1.00 31.02 H new ATOM 0 HA LYS A 44 27.759 18.899 21.588 1.00 64.11 H new ATOM 0 HB2 LYS A 44 25.972 21.158 22.450 1.00 41.40 H new ATOM 0 HB3 LYS A 44 27.062 20.472 23.639 1.00 41.40 H new ATOM 0 HG2 LYS A 44 28.433 20.986 21.106 1.00 32.44 H new ATOM 0 HG3 LYS A 44 27.668 22.434 21.728 1.00 32.44 H new ATOM 0 HD2 LYS A 44 28.771 22.037 23.946 1.00 44.34 H new ATOM 0 HD3 LYS A 44 29.575 20.631 23.275 1.00 44.34 H new ATOM 0 HE2 LYS A 44 30.204 22.559 21.401 1.00 54.21 H new ATOM 0 HE3 LYS A 44 30.148 23.514 22.869 1.00 54.21 H new ATOM 0 HZ1 LYS A 44 32.355 22.631 22.483 1.00 12.55 H new ATOM 0 HZ2 LYS A 44 31.706 21.966 23.903 1.00 12.55 H new ATOM 0 HZ3 LYS A 44 31.760 21.041 22.481 1.00 12.55 H new ATOM 697 N THR A 45 24.881 18.190 22.996 1.00 62.21 N ATOM 698 CA THR A 45 24.214 17.270 23.908 1.00 73.33 C ATOM 699 C THR A 45 24.705 15.841 23.706 1.00 43.30 C ATOM 700 O THR A 45 25.229 15.218 24.630 1.00 42.11 O ATOM 701 CB THR A 45 22.685 17.307 23.723 1.00 74.51 C ATOM 702 OG1 THR A 45 22.353 17.998 22.514 1.00 3.04 O ATOM 703 CG2 THR A 45 22.013 17.990 24.904 1.00 14.23 C ATOM 0 H THR A 45 24.249 18.781 22.457 1.00 62.21 H new ATOM 0 HA THR A 45 24.459 17.595 24.919 1.00 73.33 H new ATOM 0 HB THR A 45 22.324 16.280 23.664 1.00 74.51 H new ATOM 0 HG1 THR A 45 22.735 17.520 21.749 1.00 3.04 H new ATOM 0 HG21 THR A 45 20.934 18.004 24.750 1.00 14.23 H new ATOM 0 HG22 THR A 45 22.242 17.444 25.819 1.00 14.23 H new ATOM 0 HG23 THR A 45 22.380 19.013 24.990 1.00 14.23 H new ATOM 711 N LEU A 46 24.534 15.328 22.493 1.00 40.23 N ATOM 712 CA LEU A 46 24.960 13.971 22.169 1.00 4.11 C ATOM 713 C LEU A 46 26.482 13.858 22.196 1.00 70.34 C ATOM 714 O LEU A 46 27.030 12.801 22.504 1.00 31.01 O ATOM 715 CB LEU A 46 24.433 13.564 20.792 1.00 74.53 C ATOM 716 CG LEU A 46 25.161 14.163 19.589 1.00 2.44 C ATOM 717 CD1 LEU A 46 26.207 13.193 19.062 1.00 22.33 C ATOM 718 CD2 LEU A 46 24.172 14.530 18.494 1.00 22.21 C ATOM 0 H LEU A 46 24.103 15.831 21.717 1.00 40.23 H new ATOM 0 HA LEU A 46 24.549 13.298 22.922 1.00 4.11 H new ATOM 0 HB2 LEU A 46 24.479 12.478 20.715 1.00 74.53 H new ATOM 0 HB3 LEU A 46 23.381 13.844 20.731 1.00 74.53 H new ATOM 0 HG LEU A 46 25.667 15.073 19.912 1.00 2.44 H new ATOM 0 HD11 LEU A 46 26.715 13.636 18.206 1.00 22.33 H new ATOM 0 HD12 LEU A 46 26.934 12.981 19.846 1.00 22.33 H new ATOM 0 HD13 LEU A 46 25.722 12.266 18.756 1.00 22.33 H new ATOM 0 HD21 LEU A 46 24.709 14.955 17.646 1.00 22.21 H new ATOM 0 HD22 LEU A 46 23.636 13.637 18.173 1.00 22.21 H new ATOM 0 HD23 LEU A 46 23.461 15.262 18.877 1.00 22.21 H new ATOM 730 N ASN A 47 27.157 14.957 21.873 1.00 4.24 N ATOM 731 CA ASN A 47 28.615 14.981 21.862 1.00 12.43 C ATOM 732 C ASN A 47 29.176 14.620 23.235 1.00 54.54 C ATOM 733 O ASN A 47 30.297 14.125 23.348 1.00 34.02 O ATOM 734 CB ASN A 47 29.120 16.363 21.441 1.00 23.44 C ATOM 735 CG ASN A 47 30.623 16.499 21.587 1.00 63.43 C ATOM 736 OD1 ASN A 47 31.386 16.011 20.753 1.00 50.00 O ATOM 737 ND2 ASN A 47 31.056 17.165 22.650 1.00 54.51 N ATOM 0 H ASN A 47 26.718 15.841 21.616 1.00 4.24 H new ATOM 0 HA ASN A 47 28.960 14.240 21.141 1.00 12.43 H new ATOM 0 HB2 ASN A 47 28.840 16.548 20.404 1.00 23.44 H new ATOM 0 HB3 ASN A 47 28.629 17.126 22.045 1.00 23.44 H new ATOM 0 HD21 ASN A 47 32.057 17.289 22.801 1.00 54.51 H new ATOM 0 HD22 ASN A 47 30.388 17.553 23.316 1.00 54.51 H new ATOM 744 N ARG A 48 28.388 14.873 24.275 1.00 52.21 N ATOM 745 CA ARG A 48 28.805 14.575 25.640 1.00 0.11 C ATOM 746 C ARG A 48 28.339 13.184 26.059 1.00 73.03 C ATOM 747 O ARG A 48 28.928 12.561 26.942 1.00 12.11 O ATOM 748 CB ARG A 48 28.250 15.623 26.605 1.00 50.42 C ATOM 749 CG ARG A 48 28.792 15.497 28.019 1.00 55.21 C ATOM 750 CD ARG A 48 29.266 16.839 28.556 1.00 34.03 C ATOM 751 NE ARG A 48 30.485 17.294 27.896 1.00 24.22 N ATOM 752 CZ ARG A 48 31.685 16.773 28.127 1.00 21.54 C ATOM 753 NH1 ARG A 48 31.825 15.784 28.999 1.00 71.32 N ATOM 754 NH2 ARG A 48 32.749 17.240 27.486 1.00 72.12 N ATOM 0 H ARG A 48 27.457 15.284 24.198 1.00 52.21 H new ATOM 0 HA ARG A 48 29.894 14.600 25.675 1.00 0.11 H new ATOM 0 HB2 ARG A 48 28.484 16.617 26.223 1.00 50.42 H new ATOM 0 HB3 ARG A 48 27.164 15.540 26.633 1.00 50.42 H new ATOM 0 HG2 ARG A 48 28.017 15.096 28.672 1.00 55.21 H new ATOM 0 HG3 ARG A 48 29.619 14.787 28.031 1.00 55.21 H new ATOM 0 HD2 ARG A 48 28.481 17.582 28.418 1.00 34.03 H new ATOM 0 HD3 ARG A 48 29.443 16.758 29.628 1.00 34.03 H new ATOM 0 HE ARG A 48 30.412 18.054 27.220 1.00 24.22 H new ATOM 0 HH11 ARG A 48 31.010 15.422 29.494 1.00 71.32 H new ATOM 0 HH12 ARG A 48 32.747 15.386 29.175 1.00 71.32 H new ATOM 0 HH21 ARG A 48 32.647 18.001 26.814 1.00 72.12 H new ATOM 0 HH22 ARG A 48 33.669 16.838 27.665 1.00 72.12 H new ATOM 768 N GLY A 49 27.277 12.703 25.421 1.00 24.21 N ATOM 769 CA GLY A 49 26.749 11.390 25.742 1.00 1.12 C ATOM 770 C GLY A 49 25.552 11.457 26.669 1.00 44.11 C ATOM 771 O GLY A 49 25.412 10.632 27.573 1.00 51.11 O ATOM 0 H GLY A 49 26.772 13.200 24.687 1.00 24.21 H new ATOM 0 HA2 GLY A 49 26.463 10.882 24.821 1.00 1.12 H new ATOM 0 HA3 GLY A 49 27.532 10.791 26.207 1.00 1.12 H new ATOM 775 N ILE A 50 24.688 12.442 26.447 1.00 23.34 N ATOM 776 CA ILE A 50 23.498 12.613 27.270 1.00 34.33 C ATOM 777 C ILE A 50 22.294 13.007 26.421 1.00 64.42 C ATOM 778 O ILE A 50 21.303 13.528 26.933 1.00 10.10 O ATOM 779 CB ILE A 50 23.715 13.679 28.359 1.00 74.03 C ATOM 780 CG1 ILE A 50 24.114 15.013 27.725 1.00 45.10 C ATOM 781 CG2 ILE A 50 24.775 13.218 29.348 1.00 71.01 C ATOM 782 CD1 ILE A 50 22.934 15.882 27.352 1.00 61.55 C ATOM 0 H ILE A 50 24.790 13.133 25.704 1.00 23.34 H new ATOM 0 HA ILE A 50 23.304 11.652 27.747 1.00 34.33 H new ATOM 0 HB ILE A 50 22.779 13.821 28.900 1.00 74.03 H new ATOM 0 HG12 ILE A 50 24.752 15.560 28.419 1.00 45.10 H new ATOM 0 HG13 ILE A 50 24.708 14.818 26.832 1.00 45.10 H new ATOM 0 HG21 ILE A 50 24.917 13.983 30.112 1.00 71.01 H new ATOM 0 HG22 ILE A 50 24.453 12.289 29.819 1.00 71.01 H new ATOM 0 HG23 ILE A 50 25.715 13.051 28.822 1.00 71.01 H new ATOM 0 HD11 ILE A 50 23.292 16.811 26.908 1.00 61.55 H new ATOM 0 HD12 ILE A 50 22.307 15.355 26.633 1.00 61.55 H new ATOM 0 HD13 ILE A 50 22.351 16.108 28.245 1.00 61.55 H new ATOM 794 N SER A 51 22.385 12.753 25.119 1.00 4.55 N ATOM 795 CA SER A 51 21.306 13.083 24.197 1.00 54.43 C ATOM 796 C SER A 51 20.334 11.915 24.059 1.00 40.44 C ATOM 797 O SER A 51 20.553 11.003 23.264 1.00 63.23 O ATOM 798 CB SER A 51 21.872 13.455 22.825 1.00 13.55 C ATOM 799 OG SER A 51 20.867 13.407 21.829 1.00 73.44 O ATOM 0 H SER A 51 23.197 12.319 24.679 1.00 4.55 H new ATOM 0 HA SER A 51 20.765 13.938 24.602 1.00 54.43 H new ATOM 0 HB2 SER A 51 22.302 14.456 22.865 1.00 13.55 H new ATOM 0 HB3 SER A 51 22.680 12.772 22.564 1.00 13.55 H new ATOM 0 HG SER A 51 21.238 13.020 21.008 1.00 73.44 H new ATOM 805 N GLU A 52 19.258 11.953 24.841 1.00 25.54 N ATOM 806 CA GLU A 52 18.253 10.897 24.806 1.00 54.31 C ATOM 807 C GLU A 52 17.495 10.911 23.482 1.00 21.13 C ATOM 808 O GLU A 52 17.305 9.871 22.851 1.00 3.14 O ATOM 809 CB GLU A 52 17.273 11.058 25.970 1.00 65.42 C ATOM 810 CG GLU A 52 16.448 9.812 26.247 1.00 51.35 C ATOM 811 CD GLU A 52 17.307 8.590 26.505 1.00 73.32 C ATOM 812 OE1 GLU A 52 18.473 8.759 26.920 1.00 55.32 O ATOM 813 OE2 GLU A 52 16.812 7.463 26.292 1.00 2.04 O ATOM 0 H GLU A 52 19.061 12.702 25.505 1.00 25.54 H new ATOM 0 HA GLU A 52 18.765 9.939 24.901 1.00 54.31 H new ATOM 0 HB2 GLU A 52 17.830 11.322 26.869 1.00 65.42 H new ATOM 0 HB3 GLU A 52 16.601 11.889 25.756 1.00 65.42 H new ATOM 0 HG2 GLU A 52 15.807 9.990 27.110 1.00 51.35 H new ATOM 0 HG3 GLU A 52 15.793 9.618 25.398 1.00 51.35 H new ATOM 820 N PHE A 53 17.064 12.097 23.067 1.00 70.44 N ATOM 821 CA PHE A 53 16.325 12.248 21.819 1.00 60.44 C ATOM 822 C PHE A 53 16.076 13.721 21.508 1.00 61.51 C ATOM 823 O PHE A 53 15.684 14.493 22.383 1.00 75.51 O ATOM 824 CB PHE A 53 14.992 11.499 21.897 1.00 42.13 C ATOM 825 CG PHE A 53 13.976 12.174 22.773 1.00 55.31 C ATOM 826 CD1 PHE A 53 14.113 12.160 24.152 1.00 45.43 C ATOM 827 CD2 PHE A 53 12.883 12.820 22.219 1.00 62.21 C ATOM 828 CE1 PHE A 53 13.181 12.782 24.962 1.00 33.42 C ATOM 829 CE2 PHE A 53 11.947 13.443 23.024 1.00 21.53 C ATOM 830 CZ PHE A 53 12.096 13.422 24.396 1.00 14.24 C ATOM 0 H PHE A 53 17.214 12.968 23.577 1.00 70.44 H new ATOM 0 HA PHE A 53 16.927 11.822 21.016 1.00 60.44 H new ATOM 0 HB2 PHE A 53 14.583 11.396 20.892 1.00 42.13 H new ATOM 0 HB3 PHE A 53 15.172 10.492 22.272 1.00 42.13 H new ATOM 0 HD1 PHE A 53 14.958 11.657 24.599 1.00 45.43 H new ATOM 0 HD2 PHE A 53 12.760 12.837 21.146 1.00 62.21 H new ATOM 0 HE1 PHE A 53 13.301 12.767 26.035 1.00 33.42 H new ATOM 0 HE2 PHE A 53 11.100 13.945 22.580 1.00 21.53 H new ATOM 0 HZ PHE A 53 11.365 13.906 25.026 1.00 14.24 H new ATOM 840 N ILE A 54 16.307 14.103 20.257 1.00 3.13 N ATOM 841 CA ILE A 54 16.108 15.481 19.830 1.00 53.34 C ATOM 842 C ILE A 54 14.838 15.622 18.997 1.00 1.21 C ATOM 843 O ILE A 54 14.609 14.856 18.061 1.00 23.33 O ATOM 844 CB ILE A 54 17.306 15.997 19.010 1.00 35.14 C ATOM 845 CG1 ILE A 54 18.613 15.745 19.763 1.00 11.45 C ATOM 846 CG2 ILE A 54 17.141 17.478 18.703 1.00 13.14 C ATOM 847 CD1 ILE A 54 19.243 14.406 19.452 1.00 30.13 C ATOM 0 H ILE A 54 16.633 13.476 19.521 1.00 3.13 H new ATOM 0 HA ILE A 54 16.014 16.080 20.736 1.00 53.34 H new ATOM 0 HB ILE A 54 17.342 15.453 18.066 1.00 35.14 H new ATOM 0 HG12 ILE A 54 19.322 16.536 19.518 1.00 11.45 H new ATOM 0 HG13 ILE A 54 18.423 15.808 20.834 1.00 11.45 H new ATOM 0 HG21 ILE A 54 17.996 17.827 18.123 1.00 13.14 H new ATOM 0 HG22 ILE A 54 16.227 17.631 18.130 1.00 13.14 H new ATOM 0 HG23 ILE A 54 17.082 18.039 19.636 1.00 13.14 H new ATOM 0 HD11 ILE A 54 20.166 14.297 20.022 1.00 30.13 H new ATOM 0 HD12 ILE A 54 18.553 13.607 19.723 1.00 30.13 H new ATOM 0 HD13 ILE A 54 19.465 14.347 18.387 1.00 30.13 H new ATOM 859 N VAL A 55 14.016 16.607 19.343 1.00 64.02 N ATOM 860 CA VAL A 55 12.770 16.851 18.625 1.00 20.24 C ATOM 861 C VAL A 55 12.883 18.078 17.727 1.00 3.13 C ATOM 862 O VAL A 55 13.405 19.113 18.138 1.00 40.43 O ATOM 863 CB VAL A 55 11.591 17.047 19.597 1.00 22.31 C ATOM 864 CG1 VAL A 55 10.289 17.213 18.829 1.00 34.12 C ATOM 865 CG2 VAL A 55 11.503 15.879 20.568 1.00 11.20 C ATOM 0 H VAL A 55 14.190 17.249 20.116 1.00 64.02 H new ATOM 0 HA VAL A 55 12.582 15.971 18.010 1.00 20.24 H new ATOM 0 HB VAL A 55 11.763 17.956 20.173 1.00 22.31 H new ATOM 0 HG11 VAL A 55 9.467 17.350 19.532 1.00 34.12 H new ATOM 0 HG12 VAL A 55 10.359 18.084 18.178 1.00 34.12 H new ATOM 0 HG13 VAL A 55 10.106 16.323 18.226 1.00 34.12 H new ATOM 0 HG21 VAL A 55 10.665 16.033 21.248 1.00 11.20 H new ATOM 0 HG22 VAL A 55 11.353 14.954 20.012 1.00 11.20 H new ATOM 0 HG23 VAL A 55 12.428 15.812 21.141 1.00 11.20 H new ATOM 875 N MET A 56 12.391 17.953 16.499 1.00 40.22 N ATOM 876 CA MET A 56 12.437 19.053 15.543 1.00 74.24 C ATOM 877 C MET A 56 11.186 19.065 14.669 1.00 41.02 C ATOM 878 O MET A 56 10.312 18.210 14.808 1.00 12.33 O ATOM 879 CB MET A 56 13.685 18.945 14.666 1.00 20.14 C ATOM 880 CG MET A 56 14.973 18.800 15.459 1.00 11.53 C ATOM 881 SD MET A 56 16.436 18.750 14.405 1.00 32.34 S ATOM 882 CE MET A 56 16.550 16.994 14.068 1.00 35.50 C ATOM 0 H MET A 56 11.956 17.102 16.143 1.00 40.22 H new ATOM 0 HA MET A 56 12.477 19.987 16.104 1.00 74.24 H new ATOM 0 HB2 MET A 56 13.579 18.088 14.001 1.00 20.14 H new ATOM 0 HB3 MET A 56 13.754 19.831 14.035 1.00 20.14 H new ATOM 0 HG2 MET A 56 15.061 19.633 16.157 1.00 11.53 H new ATOM 0 HG3 MET A 56 14.928 17.888 16.055 1.00 11.53 H new ATOM 0 HE1 MET A 56 17.399 16.804 13.411 1.00 35.50 H new ATOM 0 HE2 MET A 56 16.687 16.452 15.004 1.00 35.50 H new ATOM 0 HE3 MET A 56 15.634 16.656 13.584 1.00 35.50 H new ATOM 892 N ALA A 57 11.108 20.039 13.768 1.00 4.12 N ATOM 893 CA ALA A 57 9.966 20.161 12.870 1.00 55.11 C ATOM 894 C ALA A 57 10.372 19.889 11.426 1.00 55.54 C ATOM 895 O ALA A 57 11.243 20.566 10.879 1.00 35.53 O ATOM 896 CB ALA A 57 9.342 21.543 12.995 1.00 32.05 C ATOM 0 H ALA A 57 11.823 20.756 13.641 1.00 4.12 H new ATOM 0 HA ALA A 57 9.227 19.414 13.158 1.00 55.11 H new ATOM 0 HB1 ALA A 57 8.490 21.620 12.319 1.00 32.05 H new ATOM 0 HB2 ALA A 57 9.007 21.699 14.020 1.00 32.05 H new ATOM 0 HB3 ALA A 57 10.081 22.301 12.735 1.00 32.05 H new ATOM 902 N ALA A 58 9.735 18.897 10.814 1.00 22.22 N ATOM 903 CA ALA A 58 10.030 18.537 9.433 1.00 64.01 C ATOM 904 C ALA A 58 9.853 19.734 8.504 1.00 53.42 C ATOM 905 O ALA A 58 10.481 19.811 7.449 1.00 41.35 O ATOM 906 CB ALA A 58 9.142 17.385 8.986 1.00 10.22 C ATOM 0 H ALA A 58 9.011 18.328 11.253 1.00 22.22 H new ATOM 0 HA ALA A 58 11.072 18.220 9.381 1.00 64.01 H new ATOM 0 HB1 ALA A 58 9.373 17.127 7.953 1.00 10.22 H new ATOM 0 HB2 ALA A 58 9.320 16.520 9.625 1.00 10.22 H new ATOM 0 HB3 ALA A 58 8.096 17.682 9.060 1.00 10.22 H new ATOM 912 N ASP A 59 8.994 20.664 8.904 1.00 53.03 N ATOM 913 CA ASP A 59 8.733 21.858 8.108 1.00 44.34 C ATOM 914 C ASP A 59 9.585 23.029 8.590 1.00 40.13 C ATOM 915 O ASP A 59 9.193 24.188 8.463 1.00 44.15 O ATOM 916 CB ASP A 59 7.251 22.230 8.174 1.00 23.14 C ATOM 917 CG ASP A 59 6.355 21.129 7.640 1.00 14.31 C ATOM 918 OD1 ASP A 59 6.224 21.018 6.404 1.00 1.32 O ATOM 919 OD2 ASP A 59 5.783 20.380 8.460 1.00 12.43 O ATOM 0 H ASP A 59 8.466 20.615 9.775 1.00 53.03 H new ATOM 0 HA ASP A 59 8.998 21.639 7.074 1.00 44.34 H new ATOM 0 HB2 ASP A 59 6.979 22.447 9.207 1.00 23.14 H new ATOM 0 HB3 ASP A 59 7.082 23.142 7.602 1.00 23.14 H new ATOM 924 N ALA A 60 10.752 22.716 9.144 1.00 1.03 N ATOM 925 CA ALA A 60 11.659 23.742 9.645 1.00 31.30 C ATOM 926 C ALA A 60 12.895 23.861 8.759 1.00 32.20 C ATOM 927 O ALA A 60 13.751 22.978 8.750 1.00 74.21 O ATOM 928 CB ALA A 60 12.064 23.434 11.079 1.00 65.04 C ATOM 0 H ALA A 60 11.091 21.761 9.257 1.00 1.03 H new ATOM 0 HA ALA A 60 11.135 24.697 9.624 1.00 31.30 H new ATOM 0 HB1 ALA A 60 12.741 24.208 11.440 1.00 65.04 H new ATOM 0 HB2 ALA A 60 11.176 23.406 11.710 1.00 65.04 H new ATOM 0 HB3 ALA A 60 12.566 22.467 11.116 1.00 65.04 H new ATOM 934 N GLU A 61 12.978 24.959 8.013 1.00 3.42 N ATOM 935 CA GLU A 61 14.109 25.191 7.123 1.00 42.33 C ATOM 936 C GLU A 61 14.999 26.312 7.655 1.00 4.24 C ATOM 937 O GLU A 61 14.592 27.120 8.488 1.00 75.41 O ATOM 938 CB GLU A 61 13.616 25.541 5.717 1.00 52.24 C ATOM 939 CG GLU A 61 13.669 24.374 4.745 1.00 52.35 C ATOM 940 CD GLU A 61 13.228 24.760 3.347 1.00 24.42 C ATOM 941 OE1 GLU A 61 13.986 25.476 2.661 1.00 53.55 O ATOM 942 OE2 GLU A 61 12.124 24.342 2.938 1.00 54.45 O ATOM 0 H GLU A 61 12.277 25.700 8.008 1.00 3.42 H new ATOM 0 HA GLU A 61 14.697 24.274 7.077 1.00 42.33 H new ATOM 0 HB2 GLU A 61 12.590 25.903 5.781 1.00 52.24 H new ATOM 0 HB3 GLU A 61 14.219 26.359 5.323 1.00 52.24 H new ATOM 0 HG2 GLU A 61 14.686 23.984 4.707 1.00 52.35 H new ATOM 0 HG3 GLU A 61 13.033 23.570 5.114 1.00 52.35 H new ATOM 949 N PRO A 62 16.245 26.361 7.162 1.00 23.25 N ATOM 950 CA PRO A 62 16.743 25.404 6.169 1.00 21.12 C ATOM 951 C PRO A 62 16.923 24.006 6.751 1.00 0.31 C ATOM 952 O PRO A 62 16.857 23.814 7.966 1.00 53.44 O ATOM 953 CB PRO A 62 18.095 25.990 5.756 1.00 12.44 C ATOM 954 CG PRO A 62 18.526 26.806 6.926 1.00 21.14 C ATOM 955 CD PRO A 62 17.266 27.355 7.536 1.00 31.34 C ATOM 0 HA PRO A 62 16.047 25.279 5.339 1.00 21.12 H new ATOM 0 HB2 PRO A 62 18.816 25.204 5.534 1.00 12.44 H new ATOM 0 HB3 PRO A 62 18.004 26.602 4.858 1.00 12.44 H new ATOM 0 HG2 PRO A 62 19.074 26.198 7.645 1.00 21.14 H new ATOM 0 HG3 PRO A 62 19.192 27.611 6.616 1.00 21.14 H new ATOM 0 HD2 PRO A 62 17.353 27.454 8.618 1.00 31.34 H new ATOM 0 HD3 PRO A 62 17.027 28.344 7.144 1.00 31.34 H new ATOM 963 N LEU A 63 17.152 23.031 5.878 1.00 70.04 N ATOM 964 CA LEU A 63 17.342 21.650 6.306 1.00 62.13 C ATOM 965 C LEU A 63 18.815 21.363 6.578 1.00 63.40 C ATOM 966 O LEU A 63 19.151 20.426 7.301 1.00 32.25 O ATOM 967 CB LEU A 63 16.811 20.688 5.241 1.00 32.23 C ATOM 968 CG LEU A 63 15.489 19.992 5.566 1.00 44.05 C ATOM 969 CD1 LEU A 63 15.073 19.077 4.424 1.00 31.24 C ATOM 970 CD2 LEU A 63 15.601 19.209 6.865 1.00 2.41 C ATOM 0 H LEU A 63 17.211 23.172 4.869 1.00 70.04 H new ATOM 0 HA LEU A 63 16.785 21.502 7.231 1.00 62.13 H new ATOM 0 HB2 LEU A 63 16.688 21.240 4.309 1.00 32.23 H new ATOM 0 HB3 LEU A 63 17.567 19.923 5.061 1.00 32.23 H new ATOM 0 HG LEU A 63 14.721 20.755 5.692 1.00 44.05 H new ATOM 0 HD11 LEU A 63 14.130 18.590 4.673 1.00 31.24 H new ATOM 0 HD12 LEU A 63 14.949 19.664 3.514 1.00 31.24 H new ATOM 0 HD13 LEU A 63 15.841 18.320 4.266 1.00 31.24 H new ATOM 0 HD21 LEU A 63 14.650 18.721 7.079 1.00 2.41 H new ATOM 0 HD22 LEU A 63 16.382 18.455 6.769 1.00 2.41 H new ATOM 0 HD23 LEU A 63 15.851 19.889 7.679 1.00 2.41 H new ATOM 982 N GLU A 64 19.690 22.176 5.995 1.00 64.32 N ATOM 983 CA GLU A 64 21.126 22.010 6.176 1.00 22.35 C ATOM 984 C GLU A 64 21.481 21.924 7.657 1.00 5.50 C ATOM 985 O GLU A 64 22.195 21.017 8.084 1.00 4.23 O ATOM 986 CB GLU A 64 21.884 23.169 5.525 1.00 65.44 C ATOM 987 CG GLU A 64 23.055 22.725 4.665 1.00 12.24 C ATOM 988 CD GLU A 64 23.941 23.881 4.242 1.00 54.11 C ATOM 989 OE1 GLU A 64 23.395 24.921 3.818 1.00 24.14 O ATOM 990 OE2 GLU A 64 25.178 23.746 4.337 1.00 43.12 O ATOM 0 H GLU A 64 19.429 22.957 5.393 1.00 64.32 H new ATOM 0 HA GLU A 64 21.421 21.078 5.694 1.00 22.35 H new ATOM 0 HB2 GLU A 64 21.192 23.745 4.911 1.00 65.44 H new ATOM 0 HB3 GLU A 64 22.250 23.836 6.305 1.00 65.44 H new ATOM 0 HG2 GLU A 64 23.651 21.999 5.217 1.00 12.24 H new ATOM 0 HG3 GLU A 64 22.677 22.218 3.777 1.00 12.24 H new ATOM 997 N ILE A 65 20.980 22.877 8.435 1.00 40.44 N ATOM 998 CA ILE A 65 21.243 22.911 9.868 1.00 1.43 C ATOM 999 C ILE A 65 20.878 21.584 10.526 1.00 71.35 C ATOM 1000 O ILE A 65 21.472 21.194 11.531 1.00 74.30 O ATOM 1001 CB ILE A 65 20.462 24.045 10.559 1.00 71.23 C ATOM 1002 CG1 ILE A 65 18.961 23.748 10.534 1.00 3.15 C ATOM 1003 CG2 ILE A 65 20.755 25.376 9.884 1.00 53.14 C ATOM 1004 CD1 ILE A 65 18.122 24.821 11.192 1.00 63.24 C ATOM 0 H ILE A 65 20.389 23.637 8.097 1.00 40.44 H new ATOM 0 HA ILE A 65 22.311 23.092 9.987 1.00 1.43 H new ATOM 0 HB ILE A 65 20.784 24.108 11.599 1.00 71.23 H new ATOM 0 HG12 ILE A 65 18.639 23.630 9.499 1.00 3.15 H new ATOM 0 HG13 ILE A 65 18.779 22.797 11.035 1.00 3.15 H new ATOM 0 HG21 ILE A 65 20.196 26.168 10.383 1.00 53.14 H new ATOM 0 HG22 ILE A 65 21.822 25.589 9.948 1.00 53.14 H new ATOM 0 HG23 ILE A 65 20.457 25.326 8.837 1.00 53.14 H new ATOM 0 HD11 ILE A 65 17.069 24.544 11.137 1.00 63.24 H new ATOM 0 HD12 ILE A 65 18.416 24.924 12.236 1.00 63.24 H new ATOM 0 HD13 ILE A 65 18.275 25.769 10.677 1.00 63.24 H new ATOM 1016 N ILE A 66 19.899 20.895 9.950 1.00 25.42 N ATOM 1017 CA ILE A 66 19.457 19.610 10.477 1.00 74.23 C ATOM 1018 C ILE A 66 20.231 18.459 9.844 1.00 5.25 C ATOM 1019 O ILE A 66 20.310 17.366 10.406 1.00 30.21 O ATOM 1020 CB ILE A 66 17.950 19.392 10.238 1.00 10.13 C ATOM 1021 CG1 ILE A 66 17.157 20.619 10.691 1.00 52.32 C ATOM 1022 CG2 ILE A 66 17.474 18.146 10.970 1.00 53.44 C ATOM 1023 CD1 ILE A 66 15.677 20.525 10.395 1.00 24.41 C ATOM 0 H ILE A 66 19.397 21.205 9.118 1.00 25.42 H new ATOM 0 HA ILE A 66 19.649 19.627 11.550 1.00 74.23 H new ATOM 0 HB ILE A 66 17.782 19.249 9.170 1.00 10.13 H new ATOM 0 HG12 ILE A 66 17.297 20.756 11.763 1.00 52.32 H new ATOM 0 HG13 ILE A 66 17.562 21.504 10.201 1.00 52.32 H new ATOM 0 HG21 ILE A 66 16.408 18.005 10.792 1.00 53.44 H new ATOM 0 HG22 ILE A 66 18.021 17.277 10.604 1.00 53.44 H new ATOM 0 HG23 ILE A 66 17.651 18.262 12.039 1.00 53.44 H new ATOM 0 HD11 ILE A 66 15.178 21.429 10.743 1.00 24.41 H new ATOM 0 HD12 ILE A 66 15.527 20.419 9.321 1.00 24.41 H new ATOM 0 HD13 ILE A 66 15.258 19.659 10.907 1.00 24.41 H new ATOM 1035 N LEU A 67 20.805 18.712 8.673 1.00 42.44 N ATOM 1036 CA LEU A 67 21.577 17.699 7.963 1.00 11.03 C ATOM 1037 C LEU A 67 22.941 17.499 8.615 1.00 24.32 C ATOM 1038 O LEU A 67 23.547 16.433 8.497 1.00 14.25 O ATOM 1039 CB LEU A 67 21.752 18.096 6.496 1.00 54.10 C ATOM 1040 CG LEU A 67 22.030 16.953 5.520 1.00 23.22 C ATOM 1041 CD1 LEU A 67 20.762 16.155 5.258 1.00 64.42 C ATOM 1042 CD2 LEU A 67 22.602 17.492 4.216 1.00 15.44 C ATOM 0 H LEU A 67 20.750 19.611 8.195 1.00 42.44 H new ATOM 0 HA LEU A 67 21.029 16.758 8.014 1.00 11.03 H new ATOM 0 HB2 LEU A 67 20.850 18.614 6.170 1.00 54.10 H new ATOM 0 HB3 LEU A 67 22.572 18.811 6.429 1.00 54.10 H new ATOM 0 HG LEU A 67 22.767 16.288 5.970 1.00 23.22 H new ATOM 0 HD11 LEU A 67 20.979 15.346 4.561 1.00 64.42 H new ATOM 0 HD12 LEU A 67 20.394 15.738 6.196 1.00 64.42 H new ATOM 0 HD13 LEU A 67 20.003 16.809 4.829 1.00 64.42 H new ATOM 0 HD21 LEU A 67 22.794 16.664 3.533 1.00 15.44 H new ATOM 0 HD22 LEU A 67 21.888 18.179 3.762 1.00 15.44 H new ATOM 0 HD23 LEU A 67 23.534 18.019 4.418 1.00 15.44 H new ATOM 1054 N HIS A 68 23.420 18.530 9.304 1.00 74.13 N ATOM 1055 CA HIS A 68 24.712 18.467 9.977 1.00 21.31 C ATOM 1056 C HIS A 68 24.604 17.696 11.289 1.00 42.51 C ATOM 1057 O HIS A 68 25.587 17.134 11.774 1.00 40.10 O ATOM 1058 CB HIS A 68 25.243 19.876 10.241 1.00 52.50 C ATOM 1059 CG HIS A 68 26.625 19.898 10.817 1.00 33.24 C ATOM 1060 ND1 HIS A 68 26.876 20.039 12.166 1.00 72.44 N ATOM 1061 CD2 HIS A 68 27.835 19.792 10.221 1.00 61.33 C ATOM 1062 CE1 HIS A 68 28.181 20.022 12.373 1.00 34.12 C ATOM 1063 NE2 HIS A 68 28.785 19.872 11.209 1.00 45.32 N ATOM 0 H HIS A 68 22.932 19.419 9.411 1.00 74.13 H new ATOM 0 HA HIS A 68 25.409 17.942 9.324 1.00 21.31 H new ATOM 0 HB2 HIS A 68 25.239 20.438 9.307 1.00 52.50 H new ATOM 0 HB3 HIS A 68 24.566 20.388 10.924 1.00 52.50 H new ATOM 0 HD2 HIS A 68 28.019 19.668 9.164 1.00 61.33 H new ATOM 0 HE1 HIS A 68 28.670 20.115 13.331 1.00 34.12 H new ATOM 0 HE2 HIS A 68 29.794 19.823 11.067 1.00 45.32 H new ATOM 1071 N LEU A 69 23.405 17.676 11.861 1.00 42.24 N ATOM 1072 CA LEU A 69 23.168 16.975 13.117 1.00 12.34 C ATOM 1073 C LEU A 69 23.673 15.538 13.044 1.00 23.42 C ATOM 1074 O LEU A 69 24.538 15.117 13.812 1.00 74.10 O ATOM 1075 CB LEU A 69 21.677 16.988 13.458 1.00 34.33 C ATOM 1076 CG LEU A 69 21.232 18.027 14.487 1.00 60.01 C ATOM 1077 CD1 LEU A 69 19.728 17.956 14.701 1.00 52.04 C ATOM 1078 CD2 LEU A 69 21.969 17.826 15.802 1.00 4.44 C ATOM 0 H LEU A 69 22.582 18.138 11.474 1.00 42.24 H new ATOM 0 HA LEU A 69 23.718 17.493 13.902 1.00 12.34 H new ATOM 0 HB2 LEU A 69 21.116 17.154 12.538 1.00 34.33 H new ATOM 0 HB3 LEU A 69 21.401 16.000 13.826 1.00 34.33 H new ATOM 0 HG LEU A 69 21.478 19.017 14.104 1.00 60.01 H new ATOM 0 HD11 LEU A 69 19.430 18.703 15.437 1.00 52.04 H new ATOM 0 HD12 LEU A 69 19.217 18.151 13.758 1.00 52.04 H new ATOM 0 HD13 LEU A 69 19.458 16.963 15.062 1.00 52.04 H new ATOM 0 HD21 LEU A 69 21.639 18.575 16.522 1.00 4.44 H new ATOM 0 HD22 LEU A 69 21.755 16.830 16.190 1.00 4.44 H new ATOM 0 HD23 LEU A 69 23.042 17.929 15.637 1.00 4.44 H new ATOM 1090 N PRO A 70 23.123 14.766 12.095 1.00 4.21 N ATOM 1091 CA PRO A 70 23.505 13.364 11.895 1.00 4.22 C ATOM 1092 C PRO A 70 24.915 13.221 11.332 1.00 42.33 C ATOM 1093 O PRO A 70 25.360 14.044 10.530 1.00 62.24 O ATOM 1094 CB PRO A 70 22.472 12.856 10.886 1.00 40.20 C ATOM 1095 CG PRO A 70 22.031 14.074 10.149 1.00 35.13 C ATOM 1096 CD PRO A 70 22.088 15.201 11.143 1.00 22.21 C ATOM 0 HA PRO A 70 23.516 12.807 12.832 1.00 4.22 H new ATOM 0 HB2 PRO A 70 22.908 12.120 10.210 1.00 40.20 H new ATOM 0 HB3 PRO A 70 21.634 12.372 11.387 1.00 40.20 H new ATOM 0 HG2 PRO A 70 22.681 14.272 9.297 1.00 35.13 H new ATOM 0 HG3 PRO A 70 21.021 13.949 9.757 1.00 35.13 H new ATOM 0 HD2 PRO A 70 22.353 16.145 10.666 1.00 22.21 H new ATOM 0 HD3 PRO A 70 21.127 15.351 11.635 1.00 22.21 H new ATOM 1232 N PRO A 79 19.766 8.179 15.555 1.00 35.30 N ATOM 1233 CA PRO A 79 18.389 8.386 16.016 1.00 33.44 C ATOM 1234 C PRO A 79 17.962 9.846 15.930 1.00 51.53 C ATOM 1235 O PRO A 79 18.644 10.734 16.443 1.00 15.32 O ATOM 1236 CB PRO A 79 18.430 7.924 17.475 1.00 40.14 C ATOM 1237 CG PRO A 79 19.850 8.102 17.889 1.00 62.55 C ATOM 1238 CD PRO A 79 20.676 7.834 16.661 1.00 71.44 C ATOM 0 HA PRO A 79 17.668 7.844 15.404 1.00 33.44 H new ATOM 0 HB2 PRO A 79 17.759 8.517 18.097 1.00 40.14 H new ATOM 0 HB3 PRO A 79 18.117 6.884 17.570 1.00 40.14 H new ATOM 0 HG2 PRO A 79 20.024 9.111 18.264 1.00 62.55 H new ATOM 0 HG3 PRO A 79 20.111 7.414 18.693 1.00 62.55 H new ATOM 0 HD2 PRO A 79 21.579 8.444 16.643 1.00 71.44 H new ATOM 0 HD3 PRO A 79 20.994 6.793 16.610 1.00 71.44 H new ATOM 1246 N TYR A 80 16.830 10.090 15.278 1.00 2.30 N ATOM 1247 CA TYR A 80 16.314 11.444 15.124 1.00 42.15 C ATOM 1248 C TYR A 80 14.832 11.424 14.763 1.00 55.51 C ATOM 1249 O TYR A 80 14.391 10.621 13.942 1.00 21.12 O ATOM 1250 CB TYR A 80 17.102 12.194 14.048 1.00 13.43 C ATOM 1251 CG TYR A 80 18.309 12.930 14.584 1.00 24.20 C ATOM 1252 CD1 TYR A 80 18.188 13.827 15.638 1.00 34.25 C ATOM 1253 CD2 TYR A 80 19.569 12.730 14.035 1.00 63.25 C ATOM 1254 CE1 TYR A 80 19.288 14.502 16.131 1.00 20.15 C ATOM 1255 CE2 TYR A 80 20.675 13.401 14.522 1.00 74.20 C ATOM 1256 CZ TYR A 80 20.529 14.285 15.570 1.00 5.23 C ATOM 1257 OH TYR A 80 21.628 14.956 16.056 1.00 53.31 O ATOM 0 H TYR A 80 16.253 9.367 14.848 1.00 2.30 H new ATOM 0 HA TYR A 80 16.431 11.960 16.077 1.00 42.15 H new ATOM 0 HB2 TYR A 80 17.428 11.485 13.287 1.00 13.43 H new ATOM 0 HB3 TYR A 80 16.441 12.907 13.556 1.00 13.43 H new ATOM 0 HD1 TYR A 80 17.218 14.000 16.079 1.00 34.25 H new ATOM 0 HD2 TYR A 80 19.687 12.039 13.214 1.00 63.25 H new ATOM 0 HE1 TYR A 80 19.177 15.196 16.951 1.00 20.15 H new ATOM 0 HE2 TYR A 80 21.648 13.234 14.084 1.00 74.20 H new ATOM 0 HH TYR A 80 22.424 14.688 15.551 1.00 53.31 H new ATOM 1267 N VAL A 81 14.066 12.317 15.384 1.00 10.01 N ATOM 1268 CA VAL A 81 12.634 12.405 15.129 1.00 73.54 C ATOM 1269 C VAL A 81 12.276 13.721 14.450 1.00 44.45 C ATOM 1270 O VAL A 81 12.948 14.735 14.643 1.00 51.23 O ATOM 1271 CB VAL A 81 11.822 12.275 16.431 1.00 13.11 C ATOM 1272 CG1 VAL A 81 12.079 13.467 17.341 1.00 31.00 C ATOM 1273 CG2 VAL A 81 10.339 12.140 16.124 1.00 31.45 C ATOM 0 H VAL A 81 14.415 12.989 16.067 1.00 10.01 H new ATOM 0 HA VAL A 81 12.380 11.577 14.467 1.00 73.54 H new ATOM 0 HB VAL A 81 12.145 11.373 16.951 1.00 13.11 H new ATOM 0 HG11 VAL A 81 11.497 13.358 18.256 1.00 31.00 H new ATOM 0 HG12 VAL A 81 13.139 13.514 17.589 1.00 31.00 H new ATOM 0 HG13 VAL A 81 11.785 14.384 16.831 1.00 31.00 H new ATOM 0 HG21 VAL A 81 9.781 12.049 17.056 1.00 31.45 H new ATOM 0 HG22 VAL A 81 9.998 13.022 15.581 1.00 31.45 H new ATOM 0 HG23 VAL A 81 10.173 11.252 15.514 1.00 31.45 H new ATOM 1283 N PHE A 82 11.212 13.701 13.652 1.00 1.21 N ATOM 1284 CA PHE A 82 10.765 14.893 12.943 1.00 44.33 C ATOM 1285 C PHE A 82 9.242 14.975 12.923 1.00 33.12 C ATOM 1286 O PHE A 82 8.571 14.134 12.323 1.00 5.44 O ATOM 1287 CB PHE A 82 11.306 14.895 11.511 1.00 35.42 C ATOM 1288 CG PHE A 82 12.779 14.613 11.428 1.00 44.25 C ATOM 1289 CD1 PHE A 82 13.250 13.311 11.417 1.00 1.45 C ATOM 1290 CD2 PHE A 82 13.693 15.653 11.359 1.00 2.12 C ATOM 1291 CE1 PHE A 82 14.605 13.048 11.340 1.00 45.23 C ATOM 1292 CE2 PHE A 82 15.049 15.398 11.281 1.00 74.42 C ATOM 1293 CZ PHE A 82 15.505 14.094 11.272 1.00 4.54 C ATOM 0 H PHE A 82 10.644 12.871 13.481 1.00 1.21 H new ATOM 0 HA PHE A 82 11.152 15.765 13.471 1.00 44.33 H new ATOM 0 HB2 PHE A 82 10.768 14.149 10.926 1.00 35.42 H new ATOM 0 HB3 PHE A 82 11.103 15.864 11.055 1.00 35.42 H new ATOM 0 HD1 PHE A 82 12.550 12.490 11.469 1.00 1.45 H new ATOM 0 HD2 PHE A 82 13.341 16.674 11.366 1.00 2.12 H new ATOM 0 HE1 PHE A 82 14.959 12.028 11.333 1.00 45.23 H new ATOM 0 HE2 PHE A 82 15.751 16.217 11.227 1.00 74.42 H new ATOM 0 HZ PHE A 82 16.564 13.892 11.212 1.00 4.54 H new ATOM 1303 N VAL A 83 8.700 15.993 13.584 1.00 25.14 N ATOM 1304 CA VAL A 83 7.256 16.186 13.642 1.00 14.24 C ATOM 1305 C VAL A 83 6.744 16.886 12.388 1.00 14.43 C ATOM 1306 O VAL A 83 7.500 17.562 11.691 1.00 0.01 O ATOM 1307 CB VAL A 83 6.850 17.008 14.880 1.00 62.35 C ATOM 1308 CG1 VAL A 83 5.353 16.893 15.129 1.00 1.24 C ATOM 1309 CG2 VAL A 83 7.638 16.559 16.100 1.00 52.33 C ATOM 0 H VAL A 83 9.240 16.697 14.087 1.00 25.14 H new ATOM 0 HA VAL A 83 6.806 15.196 13.709 1.00 14.24 H new ATOM 0 HB VAL A 83 7.084 18.056 14.692 1.00 62.35 H new ATOM 0 HG11 VAL A 83 5.084 17.480 16.007 1.00 1.24 H new ATOM 0 HG12 VAL A 83 4.810 17.268 14.262 1.00 1.24 H new ATOM 0 HG13 VAL A 83 5.091 15.848 15.297 1.00 1.24 H new ATOM 0 HG21 VAL A 83 7.338 17.151 16.965 1.00 52.33 H new ATOM 0 HG22 VAL A 83 7.439 15.505 16.294 1.00 52.33 H new ATOM 0 HG23 VAL A 83 8.703 16.699 15.917 1.00 52.33 H new ATOM 1319 N ARG A 84 5.456 16.721 12.110 1.00 33.54 N ATOM 1320 CA ARG A 84 4.842 17.336 10.940 1.00 65.13 C ATOM 1321 C ARG A 84 4.219 18.683 11.297 1.00 12.03 C ATOM 1322 O ARG A 84 3.121 19.010 10.845 1.00 15.41 O ATOM 1323 CB ARG A 84 3.778 16.410 10.348 1.00 53.05 C ATOM 1324 CG ARG A 84 3.320 16.818 8.958 1.00 44.05 C ATOM 1325 CD ARG A 84 3.600 15.727 7.937 1.00 24.45 C ATOM 1326 NE ARG A 84 3.428 16.201 6.566 1.00 34.51 N ATOM 1327 CZ ARG A 84 3.233 15.394 5.528 1.00 13.25 C ATOM 1328 NH1 ARG A 84 3.186 14.081 5.705 1.00 12.14 N ATOM 1329 NH2 ARG A 84 3.084 15.902 4.311 1.00 55.01 N ATOM 0 H ARG A 84 4.817 16.166 12.679 1.00 33.54 H new ATOM 0 HA ARG A 84 5.622 17.502 10.197 1.00 65.13 H new ATOM 0 HB2 ARG A 84 4.174 15.395 10.307 1.00 53.05 H new ATOM 0 HB3 ARG A 84 2.915 16.389 11.014 1.00 53.05 H new ATOM 0 HG2 ARG A 84 2.252 17.037 8.975 1.00 44.05 H new ATOM 0 HG3 ARG A 84 3.828 17.735 8.661 1.00 44.05 H new ATOM 0 HD2 ARG A 84 4.618 15.361 8.068 1.00 24.45 H new ATOM 0 HD3 ARG A 84 2.932 14.884 8.115 1.00 24.45 H new ATOM 0 HE ARG A 84 3.459 17.206 6.396 1.00 34.51 H new ATOM 0 HH11 ARG A 84 3.300 13.688 6.639 1.00 12.14 H new ATOM 0 HH12 ARG A 84 3.036 13.464 4.907 1.00 12.14 H new ATOM 0 HH21 ARG A 84 3.119 16.912 4.172 1.00 55.01 H new ATOM 0 HH22 ARG A 84 2.934 15.283 3.515 1.00 55.01 H new ATOM 1343 N SER A 85 4.926 19.458 12.112 1.00 10.52 N ATOM 1344 CA SER A 85 4.441 20.767 12.535 1.00 40.44 C ATOM 1345 C SER A 85 5.450 21.450 13.452 1.00 74.05 C ATOM 1346 O SER A 85 6.255 20.791 14.110 1.00 1.42 O ATOM 1347 CB SER A 85 3.096 20.629 13.250 1.00 61.21 C ATOM 1348 OG SER A 85 3.115 19.551 14.170 1.00 50.20 O ATOM 0 H SER A 85 5.837 19.203 12.493 1.00 10.52 H new ATOM 0 HA SER A 85 4.310 21.383 11.646 1.00 40.44 H new ATOM 0 HB2 SER A 85 2.863 21.555 13.775 1.00 61.21 H new ATOM 0 HB3 SER A 85 2.305 20.471 12.517 1.00 61.21 H new ATOM 0 HG SER A 85 2.244 19.485 14.615 1.00 50.20 H new ATOM 1354 N LYS A 86 5.400 22.778 13.492 1.00 41.22 N ATOM 1355 CA LYS A 86 6.308 23.554 14.329 1.00 61.32 C ATOM 1356 C LYS A 86 5.542 24.291 15.423 1.00 5.21 C ATOM 1357 O LYS A 86 5.970 24.325 16.576 1.00 10.23 O ATOM 1358 CB LYS A 86 7.091 24.554 13.476 1.00 50.33 C ATOM 1359 CG LYS A 86 6.207 25.485 12.664 1.00 70.41 C ATOM 1360 CD LYS A 86 7.016 26.288 11.659 1.00 35.54 C ATOM 1361 CE LYS A 86 6.117 27.006 10.665 1.00 74.43 C ATOM 1362 NZ LYS A 86 6.833 27.329 9.401 1.00 3.21 N ATOM 0 H LYS A 86 4.740 23.339 12.954 1.00 41.22 H new ATOM 0 HA LYS A 86 7.007 22.864 14.802 1.00 61.32 H new ATOM 0 HB2 LYS A 86 7.731 25.150 14.126 1.00 50.33 H new ATOM 0 HB3 LYS A 86 7.746 24.006 12.799 1.00 50.33 H new ATOM 0 HG2 LYS A 86 5.449 24.903 12.140 1.00 70.41 H new ATOM 0 HG3 LYS A 86 5.680 26.164 13.334 1.00 70.41 H new ATOM 0 HD2 LYS A 86 7.632 27.017 12.186 1.00 35.54 H new ATOM 0 HD3 LYS A 86 7.695 25.624 11.124 1.00 35.54 H new ATOM 0 HE2 LYS A 86 5.251 26.382 10.442 1.00 74.43 H new ATOM 0 HE3 LYS A 86 5.741 27.925 11.114 1.00 74.43 H new ATOM 0 HZ1 LYS A 86 6.185 27.818 8.750 1.00 3.21 H new ATOM 0 HZ2 LYS A 86 7.645 27.945 9.609 1.00 3.21 H new ATOM 0 HZ3 LYS A 86 7.170 26.450 8.959 1.00 3.21 H new ATOM 1376 N GLN A 87 4.409 24.879 15.052 1.00 71.03 N ATOM 1377 CA GLN A 87 3.584 25.615 16.004 1.00 4.11 C ATOM 1378 C GLN A 87 3.276 24.763 17.230 1.00 31.42 C ATOM 1379 O GLN A 87 3.142 25.279 18.338 1.00 34.04 O ATOM 1380 CB GLN A 87 2.283 26.065 15.340 1.00 53.04 C ATOM 1381 CG GLN A 87 2.355 27.461 14.742 1.00 1.43 C ATOM 1382 CD GLN A 87 1.344 27.675 13.633 1.00 35.50 C ATOM 1383 OE1 GLN A 87 1.469 27.112 12.545 1.00 4.22 O ATOM 1384 NE2 GLN A 87 0.332 28.491 13.904 1.00 70.14 N ATOM 0 H GLN A 87 4.042 24.860 14.101 1.00 71.03 H new ATOM 0 HA GLN A 87 4.142 26.494 16.327 1.00 4.11 H new ATOM 0 HB2 GLN A 87 2.022 25.356 14.555 1.00 53.04 H new ATOM 0 HB3 GLN A 87 1.480 26.035 16.077 1.00 53.04 H new ATOM 0 HG2 GLN A 87 2.188 28.198 15.528 1.00 1.43 H new ATOM 0 HG3 GLN A 87 3.358 27.633 14.352 1.00 1.43 H new ATOM 0 HE21 GLN A 87 0.267 28.937 14.819 1.00 70.14 H new ATOM 0 HE22 GLN A 87 -0.381 28.672 13.197 1.00 70.14 H new ATOM 1393 N ALA A 88 3.164 23.455 17.022 1.00 15.22 N ATOM 1394 CA ALA A 88 2.873 22.531 18.111 1.00 14.11 C ATOM 1395 C ALA A 88 3.975 22.559 19.165 1.00 62.41 C ATOM 1396 O ALA A 88 3.701 22.641 20.363 1.00 10.41 O ATOM 1397 CB ALA A 88 2.691 21.120 17.572 1.00 2.01 C ATOM 0 H ALA A 88 3.270 23.012 16.110 1.00 15.22 H new ATOM 0 HA ALA A 88 1.945 22.849 18.586 1.00 14.11 H new ATOM 0 HB1 ALA A 88 2.474 20.441 18.396 1.00 2.01 H new ATOM 0 HB2 ALA A 88 1.864 21.105 16.863 1.00 2.01 H new ATOM 0 HB3 ALA A 88 3.605 20.802 17.070 1.00 2.01 H new ATOM 1403 N LEU A 89 5.222 22.488 18.712 1.00 64.15 N ATOM 1404 CA LEU A 89 6.367 22.505 19.616 1.00 62.42 C ATOM 1405 C LEU A 89 6.591 23.903 20.184 1.00 21.44 C ATOM 1406 O LEU A 89 7.065 24.057 21.309 1.00 32.10 O ATOM 1407 CB LEU A 89 7.624 22.030 18.886 1.00 3.43 C ATOM 1408 CG LEU A 89 8.920 22.051 19.697 1.00 14.35 C ATOM 1409 CD1 LEU A 89 8.945 20.900 20.692 1.00 64.32 C ATOM 1410 CD2 LEU A 89 10.129 21.989 18.776 1.00 20.40 C ATOM 0 H LEU A 89 5.466 22.418 17.724 1.00 64.15 H new ATOM 0 HA LEU A 89 6.157 21.827 20.443 1.00 62.42 H new ATOM 0 HB2 LEU A 89 7.454 21.012 18.537 1.00 3.43 H new ATOM 0 HB3 LEU A 89 7.763 22.651 18.001 1.00 3.43 H new ATOM 0 HG LEU A 89 8.962 22.987 20.254 1.00 14.35 H new ATOM 0 HD11 LEU A 89 9.875 20.931 21.260 1.00 64.32 H new ATOM 0 HD12 LEU A 89 8.099 20.990 21.374 1.00 64.32 H new ATOM 0 HD13 LEU A 89 8.879 19.954 20.155 1.00 64.32 H new ATOM 0 HD21 LEU A 89 11.042 22.005 19.372 1.00 20.40 H new ATOM 0 HD22 LEU A 89 10.094 21.070 18.191 1.00 20.40 H new ATOM 0 HD23 LEU A 89 10.119 22.847 18.104 1.00 20.40 H new ATOM 1422 N GLY A 90 6.246 24.917 19.398 1.00 41.33 N ATOM 1423 CA GLY A 90 6.417 26.289 19.842 1.00 71.24 C ATOM 1424 C GLY A 90 5.643 26.588 21.110 1.00 14.11 C ATOM 1425 O GLY A 90 6.018 27.472 21.880 1.00 44.41 O ATOM 0 H GLY A 90 5.852 24.814 18.463 1.00 41.33 H new ATOM 0 HA2 GLY A 90 7.476 26.483 20.012 1.00 71.24 H new ATOM 0 HA3 GLY A 90 6.091 26.966 19.053 1.00 71.24 H new ATOM 1429 N ARG A 91 4.560 25.850 21.330 1.00 61.55 N ATOM 1430 CA ARG A 91 3.729 26.043 22.513 1.00 4.13 C ATOM 1431 C ARG A 91 4.296 25.276 23.704 1.00 53.05 C ATOM 1432 O ARG A 91 4.566 25.856 24.755 1.00 33.13 O ATOM 1433 CB ARG A 91 2.296 25.589 22.235 1.00 54.45 C ATOM 1434 CG ARG A 91 1.506 25.262 23.492 1.00 41.00 C ATOM 1435 CD ARG A 91 1.442 26.452 24.436 1.00 74.42 C ATOM 1436 NE ARG A 91 2.018 26.147 25.743 1.00 65.32 N ATOM 1437 CZ ARG A 91 1.997 26.989 26.770 1.00 31.04 C ATOM 1438 NH1 ARG A 91 1.430 28.181 26.643 1.00 22.31 N ATOM 1439 NH2 ARG A 91 2.542 26.638 27.927 1.00 52.42 N ATOM 0 H ARG A 91 4.237 25.112 20.704 1.00 61.55 H new ATOM 0 HA ARG A 91 3.725 27.106 22.755 1.00 4.13 H new ATOM 0 HB2 ARG A 91 1.776 26.372 21.683 1.00 54.45 H new ATOM 0 HB3 ARG A 91 2.321 24.709 21.592 1.00 54.45 H new ATOM 0 HG2 ARG A 91 0.495 24.958 23.219 1.00 41.00 H new ATOM 0 HG3 ARG A 91 1.966 24.416 24.002 1.00 41.00 H new ATOM 0 HD2 ARG A 91 1.974 27.294 23.994 1.00 74.42 H new ATOM 0 HD3 ARG A 91 0.404 26.760 24.561 1.00 74.42 H new ATOM 0 HE ARG A 91 2.461 25.237 25.874 1.00 65.32 H new ATOM 0 HH11 ARG A 91 1.009 28.453 25.755 1.00 22.31 H new ATOM 0 HH12 ARG A 91 1.415 28.826 27.433 1.00 22.31 H new ATOM 0 HH21 ARG A 91 2.977 25.721 28.028 1.00 52.42 H new ATOM 0 HH22 ARG A 91 2.526 27.285 28.715 1.00 52.42 H new ATOM 1453 N ALA A 92 4.470 23.971 23.532 1.00 23.55 N ATOM 1454 CA ALA A 92 5.006 23.125 24.591 1.00 73.33 C ATOM 1455 C ALA A 92 6.336 23.663 25.105 1.00 23.53 C ATOM 1456 O ALA A 92 6.580 23.694 26.311 1.00 32.43 O ATOM 1457 CB ALA A 92 5.167 21.695 24.095 1.00 1.22 C ATOM 0 H ALA A 92 4.248 23.476 22.669 1.00 23.55 H new ATOM 0 HA ALA A 92 4.298 23.132 25.420 1.00 73.33 H new ATOM 0 HB1 ALA A 92 5.568 21.075 24.897 1.00 1.22 H new ATOM 0 HB2 ALA A 92 4.197 21.306 23.786 1.00 1.22 H new ATOM 0 HB3 ALA A 92 5.851 21.679 23.247 1.00 1.22 H new ATOM 1463 N CYS A 93 7.193 24.085 24.182 1.00 54.43 N ATOM 1464 CA CYS A 93 8.501 24.622 24.542 1.00 20.15 C ATOM 1465 C CYS A 93 8.364 25.762 25.546 1.00 61.31 C ATOM 1466 O CYS A 93 9.260 26.002 26.354 1.00 34.13 O ATOM 1467 CB CYS A 93 9.236 25.111 23.293 1.00 54.24 C ATOM 1468 SG CYS A 93 10.898 25.747 23.615 1.00 34.30 S ATOM 0 H CYS A 93 7.006 24.066 23.179 1.00 54.43 H new ATOM 0 HA CYS A 93 9.079 23.823 25.005 1.00 20.15 H new ATOM 0 HB2 CYS A 93 9.305 24.289 22.580 1.00 54.24 H new ATOM 0 HB3 CYS A 93 8.644 25.895 22.820 1.00 54.24 H new ATOM 0 HG CYS A 93 10.982 26.134 24.853 1.00 34.30 H new ATOM 1474 N GLY A 94 7.235 26.463 25.488 1.00 25.02 N ATOM 1475 CA GLY A 94 7.002 27.570 26.395 1.00 10.32 C ATOM 1476 C GLY A 94 7.614 28.865 25.900 1.00 4.44 C ATOM 1477 O GLY A 94 8.158 29.644 26.683 1.00 72.15 O ATOM 0 H GLY A 94 6.478 26.283 24.828 1.00 25.02 H new ATOM 0 HA2 GLY A 94 5.929 27.707 26.528 1.00 10.32 H new ATOM 0 HA3 GLY A 94 7.416 27.327 27.374 1.00 10.32 H new ATOM 1481 N VAL A 95 7.529 29.097 24.594 1.00 71.42 N ATOM 1482 CA VAL A 95 8.078 30.306 23.994 1.00 42.55 C ATOM 1483 C VAL A 95 7.042 31.007 23.122 1.00 43.11 C ATOM 1484 O VAL A 95 6.004 30.435 22.792 1.00 11.33 O ATOM 1485 CB VAL A 95 9.323 29.994 23.141 1.00 13.30 C ATOM 1486 CG1 VAL A 95 10.516 29.684 24.033 1.00 23.35 C ATOM 1487 CG2 VAL A 95 9.043 28.840 22.191 1.00 13.11 C ATOM 0 H VAL A 95 7.084 28.462 23.931 1.00 71.42 H new ATOM 0 HA VAL A 95 8.364 30.964 24.815 1.00 42.55 H new ATOM 0 HB VAL A 95 9.564 30.874 22.545 1.00 13.30 H new ATOM 0 HG11 VAL A 95 11.386 29.466 23.414 1.00 23.35 H new ATOM 0 HG12 VAL A 95 10.729 30.544 24.668 1.00 23.35 H new ATOM 0 HG13 VAL A 95 10.289 28.820 24.657 1.00 23.35 H new ATOM 0 HG21 VAL A 95 9.933 28.634 21.597 1.00 13.11 H new ATOM 0 HG22 VAL A 95 8.776 27.953 22.765 1.00 13.11 H new ATOM 0 HG23 VAL A 95 8.219 29.105 21.529 1.00 13.11 H new ATOM 1497 N SER A 96 7.333 32.250 22.750 1.00 14.41 N ATOM 1498 CA SER A 96 6.425 33.032 21.919 1.00 33.24 C ATOM 1499 C SER A 96 6.548 32.628 20.454 1.00 61.53 C ATOM 1500 O SER A 96 5.548 32.519 19.743 1.00 64.52 O ATOM 1501 CB SER A 96 6.716 34.526 22.074 1.00 35.34 C ATOM 1502 OG SER A 96 6.283 35.001 23.338 1.00 43.02 O ATOM 0 H SER A 96 8.190 32.737 23.011 1.00 14.41 H new ATOM 0 HA SER A 96 5.406 32.832 22.249 1.00 33.24 H new ATOM 0 HB2 SER A 96 7.785 34.705 21.961 1.00 35.34 H new ATOM 0 HB3 SER A 96 6.214 35.082 21.282 1.00 35.34 H new ATOM 0 HG SER A 96 6.482 35.958 23.413 1.00 43.02 H new ATOM 1508 N ARG A 97 7.780 32.408 20.007 1.00 14.31 N ATOM 1509 CA ARG A 97 8.035 32.017 18.626 1.00 1.31 C ATOM 1510 C ARG A 97 8.279 30.515 18.523 1.00 25.24 C ATOM 1511 O ARG A 97 8.599 29.843 19.503 1.00 54.43 O ATOM 1512 CB ARG A 97 9.239 32.780 18.072 1.00 41.53 C ATOM 1513 CG ARG A 97 8.879 34.120 17.453 1.00 63.13 C ATOM 1514 CD ARG A 97 9.664 34.372 16.174 1.00 72.43 C ATOM 1515 NE ARG A 97 10.364 35.653 16.205 1.00 51.42 N ATOM 1516 CZ ARG A 97 9.748 36.829 16.152 1.00 70.01 C ATOM 1517 NH1 ARG A 97 8.426 36.885 16.067 1.00 62.14 N ATOM 1518 NH2 ARG A 97 10.455 37.952 16.186 1.00 63.42 N ATOM 0 H ARG A 97 8.618 32.494 20.582 1.00 14.31 H new ATOM 0 HA ARG A 97 7.153 32.265 18.035 1.00 1.31 H new ATOM 0 HB2 ARG A 97 9.957 32.942 18.876 1.00 41.53 H new ATOM 0 HB3 ARG A 97 9.735 32.164 17.321 1.00 41.53 H new ATOM 0 HG2 ARG A 97 7.811 34.147 17.237 1.00 63.13 H new ATOM 0 HG3 ARG A 97 9.080 34.918 18.168 1.00 63.13 H new ATOM 0 HD2 ARG A 97 10.385 33.568 16.027 1.00 72.43 H new ATOM 0 HD3 ARG A 97 8.985 34.351 15.322 1.00 72.43 H new ATOM 0 HE ARG A 97 11.382 35.645 16.271 1.00 51.42 H new ATOM 0 HH11 ARG A 97 7.880 36.024 16.042 1.00 62.14 H new ATOM 0 HH12 ARG A 97 7.955 37.789 16.026 1.00 62.14 H new ATOM 0 HH21 ARG A 97 11.472 37.913 16.253 1.00 63.42 H new ATOM 0 HH22 ARG A 97 9.981 38.854 16.145 1.00 63.42 H new ATOM 1532 N PRO A 98 8.125 29.973 17.305 1.00 15.20 N ATOM 1533 CA PRO A 98 8.324 28.543 17.044 1.00 42.45 C ATOM 1534 C PRO A 98 9.789 28.134 17.148 1.00 2.43 C ATOM 1535 O PRO A 98 10.688 28.967 17.027 1.00 65.32 O ATOM 1536 CB PRO A 98 7.822 28.373 15.607 1.00 11.42 C ATOM 1537 CG PRO A 98 7.982 29.718 14.987 1.00 14.35 C ATOM 1538 CD PRO A 98 7.745 30.713 16.090 1.00 25.24 C ATOM 0 HA PRO A 98 7.802 27.919 17.770 1.00 42.45 H new ATOM 0 HB2 PRO A 98 8.400 27.620 15.072 1.00 11.42 H new ATOM 0 HB3 PRO A 98 6.781 28.049 15.587 1.00 11.42 H new ATOM 0 HG2 PRO A 98 8.979 29.836 14.563 1.00 14.35 H new ATOM 0 HG3 PRO A 98 7.270 29.860 14.174 1.00 14.35 H new ATOM 0 HD2 PRO A 98 8.351 31.609 15.959 1.00 25.24 H new ATOM 0 HD3 PRO A 98 6.704 31.034 16.124 1.00 25.24 H new ATOM 1546 N VAL A 99 10.023 26.845 17.376 1.00 11.23 N ATOM 1547 CA VAL A 99 11.380 26.324 17.496 1.00 63.00 C ATOM 1548 C VAL A 99 11.736 25.442 16.305 1.00 12.34 C ATOM 1549 O VAL A 99 10.984 24.536 15.944 1.00 5.22 O ATOM 1550 CB VAL A 99 11.557 25.514 18.793 1.00 50.40 C ATOM 1551 CG1 VAL A 99 13.018 25.138 18.992 1.00 20.22 C ATOM 1552 CG2 VAL A 99 11.033 26.298 19.987 1.00 72.45 C ATOM 0 H VAL A 99 9.291 26.143 17.481 1.00 11.23 H new ATOM 0 HA VAL A 99 12.049 27.184 17.520 1.00 63.00 H new ATOM 0 HB VAL A 99 10.978 24.595 18.709 1.00 50.40 H new ATOM 0 HG11 VAL A 99 13.124 24.566 19.914 1.00 20.22 H new ATOM 0 HG12 VAL A 99 13.357 24.535 18.149 1.00 20.22 H new ATOM 0 HG13 VAL A 99 13.621 26.044 19.056 1.00 20.22 H new ATOM 0 HG21 VAL A 99 11.166 25.710 20.895 1.00 72.45 H new ATOM 0 HG22 VAL A 99 11.583 27.235 20.077 1.00 72.45 H new ATOM 0 HG23 VAL A 99 9.974 26.512 19.845 1.00 72.45 H new ATOM 1562 N ILE A 100 12.888 25.712 15.699 1.00 2.24 N ATOM 1563 CA ILE A 100 13.345 24.941 14.550 1.00 24.43 C ATOM 1564 C ILE A 100 13.845 23.564 14.975 1.00 2.14 C ATOM 1565 O ILE A 100 13.573 22.562 14.315 1.00 13.22 O ATOM 1566 CB ILE A 100 14.469 25.672 13.792 1.00 14.24 C ATOM 1567 CG1 ILE A 100 14.000 27.060 13.356 1.00 44.32 C ATOM 1568 CG2 ILE A 100 14.915 24.855 12.589 1.00 51.10 C ATOM 1569 CD1 ILE A 100 15.087 27.891 12.710 1.00 25.50 C ATOM 0 H ILE A 100 13.521 26.459 15.985 1.00 2.24 H new ATOM 0 HA ILE A 100 12.487 24.825 13.887 1.00 24.43 H new ATOM 0 HB ILE A 100 15.321 25.791 14.461 1.00 14.24 H new ATOM 0 HG12 ILE A 100 13.172 26.951 12.655 1.00 44.32 H new ATOM 0 HG13 ILE A 100 13.614 27.594 14.225 1.00 44.32 H new ATOM 0 HG21 ILE A 100 15.710 25.385 12.064 1.00 51.10 H new ATOM 0 HG22 ILE A 100 15.285 23.886 12.924 1.00 51.10 H new ATOM 0 HG23 ILE A 100 14.070 24.708 11.916 1.00 51.10 H new ATOM 0 HD11 ILE A 100 14.682 28.862 12.426 1.00 25.50 H new ATOM 0 HD12 ILE A 100 15.906 28.031 13.416 1.00 25.50 H new ATOM 0 HD13 ILE A 100 15.457 27.379 11.822 1.00 25.50 H new ATOM 1581 N ALA A 101 14.578 23.524 16.083 1.00 10.14 N ATOM 1582 CA ALA A 101 15.114 22.270 16.599 1.00 22.40 C ATOM 1583 C ALA A 101 15.434 22.380 18.086 1.00 62.12 C ATOM 1584 O ALA A 101 16.223 23.230 18.499 1.00 11.41 O ATOM 1585 CB ALA A 101 16.357 21.866 15.819 1.00 15.20 C ATOM 0 H ALA A 101 14.814 24.345 16.640 1.00 10.14 H new ATOM 0 HA ALA A 101 14.353 21.500 16.473 1.00 22.40 H new ATOM 0 HB1 ALA A 101 16.746 20.928 16.215 1.00 15.20 H new ATOM 0 HB2 ALA A 101 16.101 21.737 14.767 1.00 15.20 H new ATOM 0 HB3 ALA A 101 17.115 22.643 15.915 1.00 15.20 H new ATOM 1591 N CYS A 102 14.815 21.518 18.884 1.00 14.34 N ATOM 1592 CA CYS A 102 15.033 21.520 20.327 1.00 23.53 C ATOM 1593 C CYS A 102 15.580 20.175 20.796 1.00 61.10 C ATOM 1594 O CYS A 102 15.290 19.135 20.205 1.00 72.33 O ATOM 1595 CB CYS A 102 13.729 21.837 21.060 1.00 52.51 C ATOM 1596 SG CYS A 102 12.482 20.532 20.947 1.00 41.33 S ATOM 0 H CYS A 102 14.159 20.809 18.557 1.00 14.34 H new ATOM 0 HA CYS A 102 15.768 22.291 20.558 1.00 23.53 H new ATOM 0 HB2 CYS A 102 13.951 22.022 22.111 1.00 52.51 H new ATOM 0 HB3 CYS A 102 13.312 22.759 20.655 1.00 52.51 H new ATOM 0 HG CYS A 102 12.653 19.863 19.846 1.00 41.33 H new ATOM 1602 N SER A 103 16.374 20.204 21.862 1.00 45.33 N ATOM 1603 CA SER A 103 16.967 18.988 22.408 1.00 61.25 C ATOM 1604 C SER A 103 16.330 18.628 23.746 1.00 21.35 C ATOM 1605 O SER A 103 15.849 19.497 24.472 1.00 40.34 O ATOM 1606 CB SER A 103 18.477 19.164 22.578 1.00 71.11 C ATOM 1607 OG SER A 103 18.936 20.320 21.898 1.00 73.40 O ATOM 0 H SER A 103 16.622 21.056 22.365 1.00 45.33 H new ATOM 0 HA SER A 103 16.781 18.175 21.707 1.00 61.25 H new ATOM 0 HB2 SER A 103 18.720 19.241 23.638 1.00 71.11 H new ATOM 0 HB3 SER A 103 18.994 18.284 22.196 1.00 71.11 H new ATOM 0 HG SER A 103 19.802 20.594 22.266 1.00 73.40 H new ATOM 1613 N VAL A 104 16.331 17.337 24.067 1.00 45.34 N ATOM 1614 CA VAL A 104 15.756 16.860 25.318 1.00 43.12 C ATOM 1615 C VAL A 104 16.765 16.034 26.107 1.00 2.10 C ATOM 1616 O VAL A 104 17.222 14.986 25.648 1.00 33.14 O ATOM 1617 CB VAL A 104 14.497 16.009 25.068 1.00 74.54 C ATOM 1618 CG1 VAL A 104 13.890 15.553 26.386 1.00 12.43 C ATOM 1619 CG2 VAL A 104 13.482 16.789 24.246 1.00 50.43 C ATOM 0 H VAL A 104 16.724 16.604 23.477 1.00 45.34 H new ATOM 0 HA VAL A 104 15.481 17.742 25.896 1.00 43.12 H new ATOM 0 HB VAL A 104 14.785 15.123 24.502 1.00 74.54 H new ATOM 0 HG11 VAL A 104 13.001 14.953 26.189 1.00 12.43 H new ATOM 0 HG12 VAL A 104 14.618 14.955 26.934 1.00 12.43 H new ATOM 0 HG13 VAL A 104 13.615 16.424 26.981 1.00 12.43 H new ATOM 0 HG21 VAL A 104 12.599 16.173 24.079 1.00 50.43 H new ATOM 0 HG22 VAL A 104 13.197 17.694 24.783 1.00 50.43 H new ATOM 0 HG23 VAL A 104 13.922 17.060 23.286 1.00 50.43 H new ATOM 1629 N THR A 105 17.111 16.513 27.298 1.00 21.12 N ATOM 1630 CA THR A 105 18.068 15.820 28.152 1.00 32.33 C ATOM 1631 C THR A 105 17.356 14.969 29.198 1.00 72.12 C ATOM 1632 O THR A 105 16.357 15.392 29.781 1.00 21.11 O ATOM 1633 CB THR A 105 19.005 16.811 28.866 1.00 3.12 C ATOM 1634 OG1 THR A 105 18.239 17.843 29.496 1.00 55.33 O ATOM 1635 CG2 THR A 105 19.987 17.431 27.883 1.00 20.02 C ATOM 0 H THR A 105 16.743 17.378 27.693 1.00 21.12 H new ATOM 0 HA THR A 105 18.660 15.175 27.503 1.00 32.33 H new ATOM 0 HB THR A 105 19.568 16.264 29.622 1.00 3.12 H new ATOM 0 HG1 THR A 105 18.843 18.468 29.949 1.00 55.33 H new ATOM 0 HG21 THR A 105 20.639 18.128 28.410 1.00 20.02 H new ATOM 0 HG22 THR A 105 20.589 16.646 27.426 1.00 20.02 H new ATOM 0 HG23 THR A 105 19.438 17.964 27.107 1.00 20.02 H new ATOM 1643 N ILE A 106 17.875 13.769 29.430 1.00 13.04 N ATOM 1644 CA ILE A 106 17.289 12.859 30.408 1.00 4.32 C ATOM 1645 C ILE A 106 17.999 12.967 31.754 1.00 70.35 C ATOM 1646 O ILE A 106 19.194 13.254 31.817 1.00 65.01 O ATOM 1647 CB ILE A 106 17.349 11.398 29.924 1.00 41.43 C ATOM 1648 CG1 ILE A 106 16.561 10.492 30.872 1.00 71.34 C ATOM 1649 CG2 ILE A 106 18.794 10.934 29.818 1.00 51.04 C ATOM 1650 CD1 ILE A 106 15.906 9.317 30.179 1.00 53.23 C ATOM 0 H ILE A 106 18.700 13.403 28.955 1.00 13.04 H new ATOM 0 HA ILE A 106 16.246 13.151 30.526 1.00 4.32 H new ATOM 0 HB ILE A 106 16.896 11.339 28.934 1.00 41.43 H new ATOM 0 HG12 ILE A 106 17.231 10.119 31.646 1.00 71.34 H new ATOM 0 HG13 ILE A 106 15.793 11.083 31.372 1.00 71.34 H new ATOM 0 HG21 ILE A 106 18.820 9.900 29.475 1.00 51.04 H new ATOM 0 HG22 ILE A 106 19.328 11.565 29.108 1.00 51.04 H new ATOM 0 HG23 ILE A 106 19.271 11.004 30.795 1.00 51.04 H new ATOM 0 HD11 ILE A 106 15.365 8.718 30.911 1.00 53.23 H new ATOM 0 HD12 ILE A 106 15.210 9.682 29.423 1.00 53.23 H new ATOM 0 HD13 ILE A 106 16.670 8.704 29.702 1.00 53.23 H new ATOM 1662 N LYS A 107 17.254 12.733 32.828 1.00 13.43 N ATOM 1663 CA LYS A 107 17.812 12.800 34.175 1.00 72.35 C ATOM 1664 C LYS A 107 18.032 11.402 34.743 1.00 61.51 C ATOM 1665 O LYS A 107 17.201 10.513 34.565 1.00 31.31 O ATOM 1666 CB LYS A 107 16.881 13.595 35.095 1.00 61.11 C ATOM 1667 CG LYS A 107 17.576 14.158 36.322 1.00 50.32 C ATOM 1668 CD LYS A 107 18.349 15.425 35.992 1.00 11.35 C ATOM 1669 CE LYS A 107 18.434 16.354 37.193 1.00 11.22 C ATOM 1670 NZ LYS A 107 19.462 17.416 37.001 1.00 72.42 N ATOM 0 H LYS A 107 16.263 12.495 32.793 1.00 13.43 H new ATOM 0 HA LYS A 107 18.776 13.305 34.118 1.00 72.35 H new ATOM 0 HB2 LYS A 107 16.439 14.415 34.530 1.00 61.11 H new ATOM 0 HB3 LYS A 107 16.062 12.950 35.415 1.00 61.11 H new ATOM 0 HG2 LYS A 107 16.837 14.372 37.094 1.00 50.32 H new ATOM 0 HG3 LYS A 107 18.257 13.411 36.731 1.00 50.32 H new ATOM 0 HD2 LYS A 107 19.354 15.164 35.661 1.00 11.35 H new ATOM 0 HD3 LYS A 107 17.865 15.943 35.164 1.00 11.35 H new ATOM 0 HE2 LYS A 107 17.462 16.816 37.364 1.00 11.22 H new ATOM 0 HE3 LYS A 107 18.673 15.774 38.085 1.00 11.22 H new ATOM 0 HZ1 LYS A 107 19.489 18.029 37.841 1.00 72.42 H new ATOM 0 HZ2 LYS A 107 20.394 16.976 36.863 1.00 72.42 H new ATOM 0 HZ3 LYS A 107 19.221 17.986 36.165 1.00 72.42 H new ATOM 1684 N GLU A 108 19.157 11.216 35.426 1.00 62.01 N ATOM 1685 CA GLU A 108 19.485 9.926 36.020 1.00 33.34 C ATOM 1686 C GLU A 108 18.955 9.833 37.448 1.00 63.22 C ATOM 1687 O GLU A 108 19.405 10.555 38.337 1.00 70.54 O ATOM 1688 CB GLU A 108 21.000 9.706 36.012 1.00 33.43 C ATOM 1689 CG GLU A 108 21.540 9.243 34.669 1.00 12.13 C ATOM 1690 CD GLU A 108 22.927 8.642 34.775 1.00 5.03 C ATOM 1691 OE1 GLU A 108 23.163 7.853 35.713 1.00 12.42 O ATOM 1692 OE2 GLU A 108 23.778 8.960 33.918 1.00 63.13 O ATOM 0 H GLU A 108 19.856 11.942 35.582 1.00 62.01 H new ATOM 0 HA GLU A 108 19.008 9.149 35.423 1.00 33.34 H new ATOM 0 HB2 GLU A 108 21.495 10.636 36.292 1.00 33.43 H new ATOM 0 HB3 GLU A 108 21.256 8.967 36.771 1.00 33.43 H new ATOM 0 HG2 GLU A 108 20.860 8.505 34.243 1.00 12.13 H new ATOM 0 HG3 GLU A 108 21.566 10.088 33.981 1.00 12.13 H new ATOM 1699 N GLY A 109 17.994 8.938 37.659 1.00 42.54 N ATOM 1700 CA GLY A 109 17.416 8.768 38.980 1.00 4.34 C ATOM 1701 C GLY A 109 16.076 9.460 39.121 1.00 52.22 C ATOM 1702 O GLY A 109 15.667 9.816 40.226 1.00 45.12 O ATOM 0 H GLY A 109 17.606 8.328 36.939 1.00 42.54 H new ATOM 0 HA2 GLY A 109 17.295 7.704 39.186 1.00 4.34 H new ATOM 0 HA3 GLY A 109 18.105 9.161 39.728 1.00 4.34 H new ATOM 1706 N SER A 110 15.391 9.655 37.998 1.00 34.32 N ATOM 1707 CA SER A 110 14.091 10.315 38.001 1.00 62.30 C ATOM 1708 C SER A 110 13.058 9.483 37.246 1.00 23.22 C ATOM 1709 O SER A 110 13.400 8.719 36.345 1.00 45.11 O ATOM 1710 CB SER A 110 14.201 11.705 37.373 1.00 70.02 C ATOM 1711 OG SER A 110 12.944 12.146 36.887 1.00 33.33 O ATOM 0 H SER A 110 15.715 9.365 37.075 1.00 34.32 H new ATOM 0 HA SER A 110 13.764 10.416 39.036 1.00 62.30 H new ATOM 0 HB2 SER A 110 14.577 12.413 38.112 1.00 70.02 H new ATOM 0 HB3 SER A 110 14.923 11.683 36.556 1.00 70.02 H new ATOM 0 HG SER A 110 12.717 13.006 37.299 1.00 33.33 H new ATOM 1717 N GLN A 111 11.793 9.639 37.622 1.00 52.21 N ATOM 1718 CA GLN A 111 10.710 8.903 36.982 1.00 25.43 C ATOM 1719 C GLN A 111 10.675 9.180 35.483 1.00 52.15 C ATOM 1720 O GLN A 111 10.211 8.351 34.698 1.00 51.33 O ATOM 1721 CB GLN A 111 9.367 9.275 37.613 1.00 11.51 C ATOM 1722 CG GLN A 111 9.030 10.752 37.495 1.00 40.53 C ATOM 1723 CD GLN A 111 7.760 11.000 36.704 1.00 24.21 C ATOM 1724 OE1 GLN A 111 7.686 10.689 35.514 1.00 11.02 O ATOM 1725 NE2 GLN A 111 6.753 11.561 37.361 1.00 71.42 N ATOM 0 H GLN A 111 11.493 10.268 38.367 1.00 52.21 H new ATOM 0 HA GLN A 111 10.891 7.839 37.133 1.00 25.43 H new ATOM 0 HB2 GLN A 111 8.578 8.691 37.139 1.00 11.51 H new ATOM 0 HB3 GLN A 111 9.380 8.997 38.667 1.00 11.51 H new ATOM 0 HG2 GLN A 111 8.921 11.177 38.493 1.00 40.53 H new ATOM 0 HG3 GLN A 111 9.859 11.273 37.016 1.00 40.53 H new ATOM 0 HE21 GLN A 111 6.858 11.802 38.346 1.00 71.42 H new ATOM 0 HE22 GLN A 111 5.874 11.751 36.881 1.00 71.42 H new ATOM 1734 N LEU A 112 11.167 10.349 35.092 1.00 44.24 N ATOM 1735 CA LEU A 112 11.193 10.738 33.686 1.00 62.52 C ATOM 1736 C LEU A 112 11.945 9.707 32.849 1.00 4.53 C ATOM 1737 O LEU A 112 11.671 9.535 31.661 1.00 12.43 O ATOM 1738 CB LEU A 112 11.843 12.113 33.527 1.00 61.45 C ATOM 1739 CG LEU A 112 10.884 13.295 33.373 1.00 60.22 C ATOM 1740 CD1 LEU A 112 10.167 13.230 32.033 1.00 34.21 C ATOM 1741 CD2 LEU A 112 9.881 13.320 34.517 1.00 73.42 C ATOM 0 H LEU A 112 11.554 11.045 35.729 1.00 44.24 H new ATOM 0 HA LEU A 112 10.164 10.787 33.330 1.00 62.52 H new ATOM 0 HB2 LEU A 112 12.477 12.296 34.395 1.00 61.45 H new ATOM 0 HB3 LEU A 112 12.497 12.085 32.655 1.00 61.45 H new ATOM 0 HG LEU A 112 11.465 14.217 33.406 1.00 60.22 H new ATOM 0 HD11 LEU A 112 9.489 14.079 31.941 1.00 34.21 H new ATOM 0 HD12 LEU A 112 10.900 13.262 31.226 1.00 34.21 H new ATOM 0 HD13 LEU A 112 9.598 12.303 31.970 1.00 34.21 H new ATOM 0 HD21 LEU A 112 9.207 14.167 34.391 1.00 73.42 H new ATOM 0 HD22 LEU A 112 9.305 12.395 34.516 1.00 73.42 H new ATOM 0 HD23 LEU A 112 10.412 13.416 35.464 1.00 73.42 H new ATOM 1753 N LYS A 113 12.895 9.023 33.478 1.00 10.21 N ATOM 1754 CA LYS A 113 13.686 8.006 32.795 1.00 0.32 C ATOM 1755 C LYS A 113 12.785 6.954 32.156 1.00 35.03 C ATOM 1756 O LYS A 113 13.105 6.410 31.100 1.00 33.13 O ATOM 1757 CB LYS A 113 14.653 7.339 33.776 1.00 42.13 C ATOM 1758 CG LYS A 113 15.784 6.585 33.097 1.00 53.14 C ATOM 1759 CD LYS A 113 16.503 5.665 34.069 1.00 75.31 C ATOM 1760 CE LYS A 113 16.273 4.201 33.723 1.00 4.22 C ATOM 1761 NZ LYS A 113 16.307 3.334 34.933 1.00 35.41 N ATOM 0 H LYS A 113 13.136 9.155 34.460 1.00 10.21 H new ATOM 0 HA LYS A 113 14.258 8.495 32.007 1.00 0.32 H new ATOM 0 HB2 LYS A 113 15.077 8.101 34.430 1.00 42.13 H new ATOM 0 HB3 LYS A 113 14.096 6.649 34.410 1.00 42.13 H new ATOM 0 HG2 LYS A 113 15.386 6.000 32.268 1.00 53.14 H new ATOM 0 HG3 LYS A 113 16.494 7.296 32.674 1.00 53.14 H new ATOM 0 HD2 LYS A 113 17.571 5.880 34.053 1.00 75.31 H new ATOM 0 HD3 LYS A 113 16.153 5.860 35.083 1.00 75.31 H new ATOM 0 HE2 LYS A 113 15.309 4.092 33.225 1.00 4.22 H new ATOM 0 HE3 LYS A 113 17.035 3.870 33.018 1.00 4.22 H new ATOM 0 HZ1 LYS A 113 16.146 2.345 34.656 1.00 35.41 H new ATOM 0 HZ2 LYS A 113 17.235 3.418 35.394 1.00 35.41 H new ATOM 0 HZ3 LYS A 113 15.563 3.633 35.595 1.00 35.41 H new ATOM 1775 N GLN A 114 11.659 6.674 32.805 1.00 24.34 N ATOM 1776 CA GLN A 114 10.713 5.687 32.299 1.00 74.45 C ATOM 1777 C GLN A 114 9.847 6.280 31.193 1.00 62.41 C ATOM 1778 O GLN A 114 9.757 5.726 30.097 1.00 15.41 O ATOM 1779 CB GLN A 114 9.827 5.170 33.434 1.00 23.44 C ATOM 1780 CG GLN A 114 9.310 3.758 33.208 1.00 25.11 C ATOM 1781 CD GLN A 114 10.208 2.703 33.822 1.00 2.34 C ATOM 1782 OE1 GLN A 114 11.315 2.999 34.275 1.00 61.25 O ATOM 1783 NE2 GLN A 114 9.736 1.462 33.841 1.00 0.34 N ATOM 0 H GLN A 114 11.380 7.116 33.681 1.00 24.34 H new ATOM 0 HA GLN A 114 11.282 4.855 31.884 1.00 74.45 H new ATOM 0 HB2 GLN A 114 10.392 5.196 34.366 1.00 23.44 H new ATOM 0 HB3 GLN A 114 8.979 5.843 33.557 1.00 23.44 H new ATOM 0 HG2 GLN A 114 8.310 3.669 33.631 1.00 25.11 H new ATOM 0 HG3 GLN A 114 9.220 3.575 32.137 1.00 25.11 H new ATOM 0 HE21 GLN A 114 8.814 1.261 33.455 1.00 0.34 H new ATOM 0 HE22 GLN A 114 10.296 0.709 34.242 1.00 0.34 H new ATOM 1792 N GLN A 115 9.211 7.410 31.487 1.00 34.52 N ATOM 1793 CA GLN A 115 8.351 8.077 30.516 1.00 2.22 C ATOM 1794 C GLN A 115 9.104 8.349 29.218 1.00 31.35 C ATOM 1795 O GLN A 115 8.658 7.961 28.138 1.00 54.23 O ATOM 1796 CB GLN A 115 7.817 9.389 31.094 1.00 64.04 C ATOM 1797 CG GLN A 115 6.453 9.254 31.752 1.00 22.14 C ATOM 1798 CD GLN A 115 5.632 10.524 31.661 1.00 51.33 C ATOM 1799 OE1 GLN A 115 5.625 11.340 32.584 1.00 23.32 O ATOM 1800 NE2 GLN A 115 4.935 10.700 30.544 1.00 13.21 N ATOM 0 H GLN A 115 9.275 7.882 32.389 1.00 34.52 H new ATOM 0 HA GLN A 115 7.512 7.416 30.296 1.00 2.22 H new ATOM 0 HB2 GLN A 115 8.528 9.770 31.827 1.00 64.04 H new ATOM 0 HB3 GLN A 115 7.755 10.129 30.296 1.00 64.04 H new ATOM 0 HG2 GLN A 115 5.906 8.438 31.280 1.00 22.14 H new ATOM 0 HG3 GLN A 115 6.585 8.986 32.800 1.00 22.14 H new ATOM 0 HE21 GLN A 115 4.970 9.998 29.805 1.00 13.21 H new ATOM 0 HE22 GLN A 115 4.365 11.537 30.425 1.00 13.21 H new ATOM 1809 N ILE A 116 10.247 9.016 29.331 1.00 15.15 N ATOM 1810 CA ILE A 116 11.062 9.338 28.166 1.00 51.11 C ATOM 1811 C ILE A 116 11.456 8.077 27.405 1.00 12.31 C ATOM 1812 O ILE A 116 11.591 8.097 26.182 1.00 34.43 O ATOM 1813 CB ILE A 116 12.337 10.103 28.566 1.00 4.43 C ATOM 1814 CG1 ILE A 116 11.975 11.384 29.320 1.00 11.33 C ATOM 1815 CG2 ILE A 116 13.170 10.425 27.334 1.00 22.21 C ATOM 1816 CD1 ILE A 116 13.148 12.013 30.039 1.00 11.31 C ATOM 0 H ILE A 116 10.630 9.344 30.218 1.00 15.15 H new ATOM 0 HA ILE A 116 10.454 9.973 27.521 1.00 51.11 H new ATOM 0 HB ILE A 116 12.930 9.470 29.227 1.00 4.43 H new ATOM 0 HG12 ILE A 116 11.561 12.106 28.616 1.00 11.33 H new ATOM 0 HG13 ILE A 116 11.192 11.161 30.045 1.00 11.33 H new ATOM 0 HG21 ILE A 116 14.068 10.966 27.633 1.00 22.21 H new ATOM 0 HG22 ILE A 116 13.454 9.499 26.834 1.00 22.21 H new ATOM 0 HG23 ILE A 116 12.586 11.041 26.651 1.00 22.21 H new ATOM 0 HD11 ILE A 116 12.818 12.917 30.552 1.00 11.31 H new ATOM 0 HD12 ILE A 116 13.549 11.308 30.767 1.00 11.31 H new ATOM 0 HD13 ILE A 116 13.923 12.268 29.317 1.00 11.31 H new ATOM 1828 N GLN A 117 11.637 6.983 28.138 1.00 61.45 N ATOM 1829 CA GLN A 117 12.014 5.712 27.530 1.00 60.20 C ATOM 1830 C GLN A 117 10.834 5.090 26.793 1.00 74.43 C ATOM 1831 O GLN A 117 11.010 4.392 25.794 1.00 1.20 O ATOM 1832 CB GLN A 117 12.531 4.746 28.598 1.00 51.04 C ATOM 1833 CG GLN A 117 14.045 4.734 28.726 1.00 4.00 C ATOM 1834 CD GLN A 117 14.671 3.486 28.132 1.00 51.50 C ATOM 1835 OE1 GLN A 117 15.434 2.785 28.796 1.00 51.50 O ATOM 1836 NE2 GLN A 117 14.350 3.204 26.875 1.00 31.55 N ATOM 0 H GLN A 117 11.529 6.951 29.152 1.00 61.45 H new ATOM 0 HA GLN A 117 12.808 5.904 26.809 1.00 60.20 H new ATOM 0 HB2 GLN A 117 12.096 5.015 29.560 1.00 51.04 H new ATOM 0 HB3 GLN A 117 12.187 3.739 28.362 1.00 51.04 H new ATOM 0 HG2 GLN A 117 14.455 5.613 28.229 1.00 4.00 H new ATOM 0 HG3 GLN A 117 14.317 4.807 29.779 1.00 4.00 H new ATOM 0 HE21 GLN A 117 13.713 3.814 26.362 1.00 31.55 H new ATOM 0 HE22 GLN A 117 14.740 2.378 26.422 1.00 31.55 H new ATOM 1845 N SER A 118 9.629 5.345 27.292 1.00 34.30 N ATOM 1846 CA SER A 118 8.418 4.806 26.684 1.00 65.51 C ATOM 1847 C SER A 118 8.222 5.365 25.277 1.00 71.32 C ATOM 1848 O SER A 118 7.969 4.619 24.331 1.00 42.41 O ATOM 1849 CB SER A 118 7.199 5.130 27.549 1.00 65.04 C ATOM 1850 OG SER A 118 6.268 4.062 27.538 1.00 32.30 O ATOM 0 H SER A 118 9.465 5.922 28.117 1.00 34.30 H new ATOM 0 HA SER A 118 8.527 3.724 26.615 1.00 65.51 H new ATOM 0 HB2 SER A 118 7.518 5.328 28.572 1.00 65.04 H new ATOM 0 HB3 SER A 118 6.720 6.038 27.183 1.00 65.04 H new ATOM 0 HG SER A 118 5.499 4.293 28.100 1.00 32.30 H new ATOM 1856 N ILE A 119 8.340 6.683 25.150 1.00 64.40 N ATOM 1857 CA ILE A 119 8.178 7.343 23.860 1.00 35.51 C ATOM 1858 C ILE A 119 9.346 7.031 22.932 1.00 44.00 C ATOM 1859 O ILE A 119 9.194 7.013 21.711 1.00 63.23 O ATOM 1860 CB ILE A 119 8.056 8.869 24.021 1.00 71.21 C ATOM 1861 CG1 ILE A 119 7.661 9.514 22.691 1.00 63.04 C ATOM 1862 CG2 ILE A 119 9.365 9.454 24.531 1.00 71.11 C ATOM 1863 CD1 ILE A 119 6.736 10.700 22.845 1.00 13.00 C ATOM 0 H ILE A 119 8.547 7.314 25.924 1.00 64.40 H new ATOM 0 HA ILE A 119 7.258 6.958 23.421 1.00 35.51 H new ATOM 0 HB ILE A 119 7.276 9.081 24.752 1.00 71.21 H new ATOM 0 HG12 ILE A 119 8.563 9.833 22.169 1.00 63.04 H new ATOM 0 HG13 ILE A 119 7.177 8.766 22.063 1.00 63.04 H new ATOM 0 HG21 ILE A 119 9.263 10.534 24.640 1.00 71.11 H new ATOM 0 HG22 ILE A 119 9.608 9.013 25.498 1.00 71.11 H new ATOM 0 HG23 ILE A 119 10.163 9.235 23.821 1.00 71.11 H new ATOM 0 HD11 ILE A 119 6.498 11.106 21.862 1.00 13.00 H new ATOM 0 HD12 ILE A 119 5.817 10.383 23.338 1.00 13.00 H new ATOM 0 HD13 ILE A 119 7.225 11.467 23.446 1.00 13.00 H new ATOM 1875 N GLN A 120 10.513 6.785 23.520 1.00 42.23 N ATOM 1876 CA GLN A 120 11.708 6.474 22.744 1.00 12.01 C ATOM 1877 C GLN A 120 11.567 5.125 22.046 1.00 1.23 C ATOM 1878 O GLN A 120 12.025 4.950 20.918 1.00 43.23 O ATOM 1879 CB GLN A 120 12.940 6.466 23.650 1.00 4.25 C ATOM 1880 CG GLN A 120 14.207 6.001 22.949 1.00 2.33 C ATOM 1881 CD GLN A 120 15.466 6.393 23.697 1.00 11.03 C ATOM 1882 OE1 GLN A 120 16.119 5.555 24.320 1.00 64.23 O ATOM 1883 NE2 GLN A 120 15.814 7.673 23.640 1.00 10.43 N ATOM 0 H GLN A 120 10.656 6.795 24.530 1.00 42.23 H new ATOM 0 HA GLN A 120 11.829 7.245 21.983 1.00 12.01 H new ATOM 0 HB2 GLN A 120 13.099 7.471 24.042 1.00 4.25 H new ATOM 0 HB3 GLN A 120 12.748 5.817 24.505 1.00 4.25 H new ATOM 0 HG2 GLN A 120 14.178 4.917 22.837 1.00 2.33 H new ATOM 0 HG3 GLN A 120 14.239 6.425 21.945 1.00 2.33 H new ATOM 0 HE21 GLN A 120 15.244 8.334 23.112 1.00 10.43 H new ATOM 0 HE22 GLN A 120 16.652 7.996 24.124 1.00 10.43 H new ATOM 1892 N GLN A 121 10.931 4.176 22.724 1.00 52.43 N ATOM 1893 CA GLN A 121 10.731 2.843 22.168 1.00 41.33 C ATOM 1894 C GLN A 121 10.079 2.920 20.791 1.00 14.32 C ATOM 1895 O GLN A 121 10.305 2.063 19.937 1.00 14.42 O ATOM 1896 CB GLN A 121 9.868 1.999 23.109 1.00 65.13 C ATOM 1897 CG GLN A 121 10.674 1.181 24.103 1.00 1.42 C ATOM 1898 CD GLN A 121 9.978 -0.106 24.501 1.00 73.25 C ATOM 1899 OE1 GLN A 121 8.918 -0.440 23.972 1.00 21.42 O ATOM 1900 NE2 GLN A 121 10.571 -0.835 25.439 1.00 3.30 N ATOM 0 H GLN A 121 10.545 4.305 23.659 1.00 52.43 H new ATOM 0 HA GLN A 121 11.707 2.371 22.061 1.00 41.33 H new ATOM 0 HB2 GLN A 121 9.192 2.656 23.656 1.00 65.13 H new ATOM 0 HB3 GLN A 121 9.249 1.327 22.515 1.00 65.13 H new ATOM 0 HG2 GLN A 121 11.646 0.945 23.670 1.00 1.42 H new ATOM 0 HG3 GLN A 121 10.859 1.780 24.995 1.00 1.42 H new ATOM 0 HE21 GLN A 121 11.449 -0.520 25.850 1.00 3.30 H new ATOM 0 HE22 GLN A 121 10.148 -1.710 25.748 1.00 3.30 H new ATOM 1909 N SER A 122 9.267 3.953 20.584 1.00 21.53 N ATOM 1910 CA SER A 122 8.578 4.138 19.312 1.00 2.45 C ATOM 1911 C SER A 122 9.565 4.508 18.209 1.00 12.20 C ATOM 1912 O SER A 122 9.441 4.052 17.072 1.00 40.20 O ATOM 1913 CB SER A 122 7.509 5.225 19.441 1.00 35.41 C ATOM 1914 OG SER A 122 6.349 4.725 20.085 1.00 64.05 O ATOM 0 H SER A 122 9.071 4.673 21.279 1.00 21.53 H new ATOM 0 HA SER A 122 8.098 3.196 19.046 1.00 2.45 H new ATOM 0 HB2 SER A 122 7.908 6.067 20.006 1.00 35.41 H new ATOM 0 HB3 SER A 122 7.247 5.601 18.452 1.00 35.41 H new ATOM 0 HG SER A 122 6.092 5.330 20.812 1.00 64.05 H new ATOM 1920 N ILE A 123 10.544 5.339 18.553 1.00 74.32 N ATOM 1921 CA ILE A 123 11.553 5.770 17.594 1.00 71.33 C ATOM 1922 C ILE A 123 12.237 4.574 16.940 1.00 35.02 C ATOM 1923 O ILE A 123 12.377 4.518 15.719 1.00 2.34 O ATOM 1924 CB ILE A 123 12.620 6.657 18.260 1.00 64.32 C ATOM 1925 CG1 ILE A 123 11.968 7.884 18.901 1.00 64.30 C ATOM 1926 CG2 ILE A 123 13.669 7.078 17.241 1.00 42.43 C ATOM 1927 CD1 ILE A 123 12.938 8.749 19.674 1.00 44.10 C ATOM 0 H ILE A 123 10.659 5.727 19.489 1.00 74.32 H new ATOM 0 HA ILE A 123 11.035 6.351 16.831 1.00 71.33 H new ATOM 0 HB ILE A 123 13.113 6.081 19.043 1.00 64.32 H new ATOM 0 HG12 ILE A 123 11.499 8.485 18.122 1.00 64.30 H new ATOM 0 HG13 ILE A 123 11.174 7.555 19.571 1.00 64.30 H new ATOM 0 HG21 ILE A 123 14.417 7.705 17.727 1.00 42.43 H new ATOM 0 HG22 ILE A 123 14.151 6.192 16.828 1.00 42.43 H new ATOM 0 HG23 ILE A 123 13.191 7.639 16.438 1.00 42.43 H new ATOM 0 HD11 ILE A 123 12.407 9.600 20.101 1.00 44.10 H new ATOM 0 HD12 ILE A 123 13.389 8.164 20.475 1.00 44.10 H new ATOM 0 HD13 ILE A 123 13.719 9.108 19.004 1.00 44.10 H new ATOM 1939 N GLU A 124 12.658 3.617 17.763 1.00 61.15 N ATOM 1940 CA GLU A 124 13.326 2.421 17.264 1.00 72.05 C ATOM 1941 C GLU A 124 12.410 1.636 16.331 1.00 24.30 C ATOM 1942 O GLU A 124 12.862 1.057 15.342 1.00 54.31 O ATOM 1943 CB GLU A 124 13.768 1.534 18.430 1.00 22.43 C ATOM 1944 CG GLU A 124 15.207 1.764 18.859 1.00 54.31 C ATOM 1945 CD GLU A 124 16.200 1.477 17.750 1.00 70.31 C ATOM 1946 OE1 GLU A 124 15.790 0.902 16.719 1.00 55.24 O ATOM 1947 OE2 GLU A 124 17.387 1.828 17.911 1.00 13.10 O ATOM 0 H GLU A 124 12.548 3.647 18.777 1.00 61.15 H new ATOM 0 HA GLU A 124 14.206 2.734 16.701 1.00 72.05 H new ATOM 0 HB2 GLU A 124 13.111 1.713 19.281 1.00 22.43 H new ATOM 0 HB3 GLU A 124 13.645 0.489 18.147 1.00 22.43 H new ATOM 0 HG2 GLU A 124 15.323 2.797 19.187 1.00 54.31 H new ATOM 0 HG3 GLU A 124 15.432 1.130 19.716 1.00 54.31 H new ATOM 1954 N ARG A 125 11.120 1.619 16.652 1.00 42.10 N ATOM 1955 CA ARG A 125 10.141 0.904 15.844 1.00 33.54 C ATOM 1956 C ARG A 125 9.910 1.614 14.513 1.00 72.22 C ATOM 1957 O ARG A 125 9.813 0.975 13.465 1.00 21.23 O ATOM 1958 CB ARG A 125 8.818 0.776 16.603 1.00 63.42 C ATOM 1959 CG ARG A 125 8.874 -0.204 17.763 1.00 30.13 C ATOM 1960 CD ARG A 125 8.312 -1.562 17.372 1.00 32.14 C ATOM 1961 NE ARG A 125 7.105 -1.892 18.125 1.00 60.43 N ATOM 1962 CZ ARG A 125 7.114 -2.292 19.392 1.00 52.53 C ATOM 1963 NH1 ARG A 125 8.263 -2.410 20.044 1.00 52.04 N ATOM 1964 NH2 ARG A 125 5.974 -2.573 20.009 1.00 63.14 N ATOM 0 H ARG A 125 10.729 2.093 17.466 1.00 42.10 H new ATOM 0 HA ARG A 125 10.534 -0.092 15.640 1.00 33.54 H new ATOM 0 HB2 ARG A 125 8.529 1.757 16.981 1.00 63.42 H new ATOM 0 HB3 ARG A 125 8.040 0.460 15.909 1.00 63.42 H new ATOM 0 HG2 ARG A 125 9.906 -0.318 18.095 1.00 30.13 H new ATOM 0 HG3 ARG A 125 8.310 0.195 18.606 1.00 30.13 H new ATOM 0 HD2 ARG A 125 8.087 -1.568 16.306 1.00 32.14 H new ATOM 0 HD3 ARG A 125 9.067 -2.330 17.543 1.00 32.14 H new ATOM 0 HE ARG A 125 6.205 -1.811 17.652 1.00 60.43 H new ATOM 0 HH11 ARG A 125 9.141 -2.194 19.573 1.00 52.04 H new ATOM 0 HH12 ARG A 125 8.268 -2.717 21.017 1.00 52.04 H new ATOM 0 HH21 ARG A 125 5.089 -2.482 19.511 1.00 63.14 H new ATOM 0 HH22 ARG A 125 5.983 -2.880 20.982 1.00 63.14 H new ATOM 1978 N LEU A 126 9.823 2.939 14.563 1.00 34.31 N ATOM 1979 CA LEU A 126 9.602 3.736 13.362 1.00 14.55 C ATOM 1980 C LEU A 126 10.842 3.736 12.473 1.00 54.32 C ATOM 1981 O LEU A 126 10.740 3.775 11.247 1.00 63.11 O ATOM 1982 CB LEU A 126 9.232 5.172 13.740 1.00 32.23 C ATOM 1983 CG LEU A 126 7.756 5.544 13.598 1.00 44.03 C ATOM 1984 CD1 LEU A 126 7.319 5.443 12.144 1.00 53.23 C ATOM 1985 CD2 LEU A 126 6.893 4.653 14.479 1.00 24.14 C ATOM 0 H LEU A 126 9.902 3.483 15.422 1.00 34.31 H new ATOM 0 HA LEU A 126 8.778 3.289 12.806 1.00 14.55 H new ATOM 0 HB2 LEU A 126 9.531 5.343 14.774 1.00 32.23 H new ATOM 0 HB3 LEU A 126 9.819 5.852 13.122 1.00 32.23 H new ATOM 0 HG LEU A 126 7.628 6.576 13.925 1.00 44.03 H new ATOM 0 HD11 LEU A 126 6.266 5.711 12.061 1.00 53.23 H new ATOM 0 HD12 LEU A 126 7.916 6.124 11.537 1.00 53.23 H new ATOM 0 HD13 LEU A 126 7.462 4.422 11.791 1.00 53.23 H new ATOM 0 HD21 LEU A 126 5.846 4.933 14.364 1.00 24.14 H new ATOM 0 HD22 LEU A 126 7.025 3.612 14.184 1.00 24.14 H new ATOM 0 HD23 LEU A 126 7.189 4.775 15.521 1.00 24.14 H new ATOM 1997 N LEU A 127 12.013 3.690 13.101 1.00 63.41 N ATOM 1998 CA LEU A 127 13.274 3.682 12.366 1.00 53.11 C ATOM 1999 C LEU A 127 13.354 2.477 11.434 1.00 54.20 C ATOM 2000 O LEU A 127 13.274 2.617 10.215 1.00 25.52 O ATOM 2001 CB LEU A 127 14.453 3.667 13.341 1.00 40.22 C ATOM 2002 CG LEU A 127 15.049 5.030 13.693 1.00 12.51 C ATOM 2003 CD1 LEU A 127 15.559 5.035 15.126 1.00 22.22 C ATOM 2004 CD2 LEU A 127 16.167 5.390 12.726 1.00 43.32 C ATOM 0 H LEU A 127 12.115 3.658 14.115 1.00 63.41 H new ATOM 0 HA LEU A 127 13.321 4.588 11.762 1.00 53.11 H new ATOM 0 HB2 LEU A 127 14.130 3.185 14.264 1.00 40.22 H new ATOM 0 HB3 LEU A 127 15.242 3.046 12.916 1.00 40.22 H new ATOM 0 HG LEU A 127 14.264 5.782 13.605 1.00 12.51 H new ATOM 0 HD11 LEU A 127 15.980 6.013 15.359 1.00 22.22 H new ATOM 0 HD12 LEU A 127 14.734 4.823 15.806 1.00 22.22 H new ATOM 0 HD13 LEU A 127 16.329 4.272 15.241 1.00 22.22 H new ATOM 0 HD21 LEU A 127 16.579 6.363 12.992 1.00 43.32 H new ATOM 0 HD22 LEU A 127 16.952 4.636 12.781 1.00 43.32 H new ATOM 0 HD23 LEU A 127 15.772 5.429 11.711 1.00 43.32 H new