USER MOD reduce.3.24.130724 H: found=0, std=0, add=1099, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 1101 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 57 THR OG1 : rot 8:sc= 0.867 USER MOD Set 1.2: B 3 MET CE :methyl -160:sc= -0.652 (180deg=-1.55!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 1.76 (180deg=1.76) USER MOD Single : A 7 LYS NZ :NH3+ 157:sc= 0.825 (180deg=0.505) USER MOD Single : A 14 GLN : amide:sc= -0.147 K(o=-0.15,f=-3.5!) USER MOD Single : A 20 ASN : amide:sc= 0.353 K(o=0.35,f=-0.77) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot -170:sc= -0.832 USER MOD Single : A 27 GLN : amide:sc= -0.169 K(o=-0.17,f=-2!) USER MOD Single : A 28 LYS NZ :NH3+ 159:sc= 0.0404 (180deg=-0.575) USER MOD Single : A 29 GLN : amide:sc= -0.375 K(o=-0.38,f=-4.2!) USER MOD Single : A 31 LYS NZ :NH3+ -110:sc= 0.745 (180deg=0.154) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot -78:sc= -0.534 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ -176:sc= 0.24 (180deg=0.19) USER MOD Single : A 40 LYS NZ :NH3+ -166:sc= -0.0209 (180deg=-0.217) USER MOD Single : A 54 LYS NZ :NH3+ -122:sc= 0.681 (180deg=-0.00217) USER MOD Single : A 58 SER OG : rot 180:sc= -0.0511 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 5 LYS NZ :NH3+ -134:sc= 1.2 (180deg=0.0775) USER MOD Single : B 7 LYS NZ :NH3+ 168:sc= -0.0191 (180deg=-0.184) USER MOD Single : B 14 GLN : amide:sc= -2.81! K(o=-2.8!,f=-0.15) USER MOD Single : B 20 ASN : amide:sc= 0 X(o=0,f=-0.0088) USER MOD Single : B 22 THR OG1 : rot 180:sc= 0 USER MOD Single : B 26 THR OG1 : rot 180:sc= 0 USER MOD Single : B 27 GLN : amide:sc= 0.436 K(o=0.44,f=-3.2!) USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 29 GLN : amide:sc= 0.0737 K(o=0.074,f=-3.6!) USER MOD Single : B 31 LYS NZ :NH3+ 151:sc= 0.0354 (180deg=-0.738) USER MOD Single : B 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 34 THR OG1 : rot -85:sc= 0.237 USER MOD Single : B 35 LYS NZ :NH3+ -169:sc=-0.00585 (180deg=-0.14) USER MOD Single : B 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 40 LYS NZ :NH3+ -115:sc= 1.1 (180deg=-0.0535) USER MOD Single : B 54 LYS NZ :NH3+ -150:sc= 1.17 (180deg=0.498) USER MOD Single : B 57 THR OG1 : rot 80:sc= 0.26 USER MOD Single : B 58 SER OG : rot 180:sc= -0.0806 USER MOD Single : B 67 LYS NZ :NH3+ 168:sc= -0.0221 (180deg=-0.174) USER MOD ----------------------------------------------------------------- ATOM 59 N LEU A 4 3.332 11.419 1.104 1.00 23.12 N ATOM 60 CA LEU A 4 2.596 10.179 1.473 1.00 43.23 C ATOM 61 C LEU A 4 3.515 8.921 1.431 1.00 42.33 C ATOM 62 O LEU A 4 3.227 7.910 2.082 1.00 11.11 O ATOM 63 CB LEU A 4 1.345 9.976 0.549 1.00 41.12 C ATOM 64 CG LEU A 4 0.137 10.968 0.725 1.00 53.41 C ATOM 65 CD1 LEU A 4 -0.408 10.945 2.168 1.00 31.31 C ATOM 66 CD2 LEU A 4 0.479 12.406 0.267 1.00 72.31 C ATOM 0 HA LEU A 4 2.255 10.302 2.501 1.00 43.23 H new ATOM 0 HB2 LEU A 4 1.680 10.036 -0.487 1.00 41.12 H new ATOM 0 HB3 LEU A 4 0.973 8.964 0.706 1.00 41.12 H new ATOM 0 HG LEU A 4 -0.656 10.614 0.067 1.00 53.41 H new ATOM 0 HD11 LEU A 4 -1.242 11.642 2.253 1.00 31.31 H new ATOM 0 HD12 LEU A 4 -0.750 9.939 2.412 1.00 31.31 H new ATOM 0 HD13 LEU A 4 0.382 11.238 2.860 1.00 31.31 H new ATOM 0 HD21 LEU A 4 -0.389 13.050 0.410 1.00 72.31 H new ATOM 0 HD22 LEU A 4 1.314 12.787 0.856 1.00 72.31 H new ATOM 0 HD23 LEU A 4 0.754 12.396 -0.788 1.00 72.31 H new ATOM 78 N LYS A 5 4.614 9.006 0.663 1.00 62.20 N ATOM 79 CA LYS A 5 5.665 7.962 0.623 1.00 51.54 C ATOM 80 C LYS A 5 6.446 7.895 1.966 1.00 64.40 C ATOM 81 O LYS A 5 6.814 6.809 2.426 1.00 35.50 O ATOM 82 CB LYS A 5 6.646 8.244 -0.551 1.00 24.34 C ATOM 83 CG LYS A 5 7.774 7.193 -0.722 1.00 71.34 C ATOM 84 CD LYS A 5 8.837 7.578 -1.780 1.00 33.45 C ATOM 85 CE LYS A 5 8.275 7.657 -3.207 1.00 12.13 C ATOM 86 NZ LYS A 5 9.315 8.042 -4.187 1.00 2.34 N ATOM 0 H LYS A 5 4.804 9.799 0.050 1.00 62.20 H new ATOM 0 HA LYS A 5 5.180 6.998 0.467 1.00 51.54 H new ATOM 0 HB2 LYS A 5 6.075 8.298 -1.478 1.00 24.34 H new ATOM 0 HB3 LYS A 5 7.101 9.223 -0.399 1.00 24.34 H new ATOM 0 HG2 LYS A 5 8.268 7.046 0.238 1.00 71.34 H new ATOM 0 HG3 LYS A 5 7.328 6.238 -1.000 1.00 71.34 H new ATOM 0 HD2 LYS A 5 9.271 8.542 -1.514 1.00 33.45 H new ATOM 0 HD3 LYS A 5 9.645 6.847 -1.755 1.00 33.45 H new ATOM 0 HE2 LYS A 5 7.853 6.691 -3.485 1.00 12.13 H new ATOM 0 HE3 LYS A 5 7.461 8.381 -3.237 1.00 12.13 H new ATOM 0 HZ1 LYS A 5 8.897 8.085 -5.138 1.00 2.34 H new ATOM 0 HZ2 LYS A 5 9.700 8.975 -3.936 1.00 2.34 H new ATOM 0 HZ3 LYS A 5 10.080 7.337 -4.176 1.00 2.34 H new ATOM 100 N GLU A 6 6.679 9.070 2.589 1.00 63.13 N ATOM 101 CA GLU A 6 7.501 9.170 3.813 1.00 42.41 C ATOM 102 C GLU A 6 6.769 8.585 5.039 1.00 3.11 C ATOM 103 O GLU A 6 7.344 7.792 5.792 1.00 31.22 O ATOM 104 CB GLU A 6 7.886 10.634 4.126 1.00 71.14 C ATOM 105 CG GLU A 6 8.911 10.765 5.281 1.00 4.42 C ATOM 106 CD GLU A 6 8.976 12.165 5.901 1.00 62.11 C ATOM 107 OE1 GLU A 6 9.284 13.137 5.180 1.00 62.51 O ATOM 108 OE2 GLU A 6 8.717 12.307 7.114 1.00 65.22 O ATOM 0 H GLU A 6 6.309 9.963 2.264 1.00 63.13 H new ATOM 0 HA GLU A 6 8.404 8.592 3.618 1.00 42.41 H new ATOM 0 HB2 GLU A 6 8.300 11.093 3.228 1.00 71.14 H new ATOM 0 HB3 GLU A 6 6.986 11.192 4.383 1.00 71.14 H new ATOM 0 HG2 GLU A 6 8.659 10.045 6.060 1.00 4.42 H new ATOM 0 HG3 GLU A 6 9.900 10.498 4.908 1.00 4.42 H new ATOM 115 N LYS A 7 5.499 9.005 5.245 1.00 54.35 N ATOM 116 CA LYS A 7 4.680 8.507 6.377 1.00 45.45 C ATOM 117 C LYS A 7 4.411 6.983 6.265 1.00 60.21 C ATOM 118 O LYS A 7 4.185 6.325 7.271 1.00 23.21 O ATOM 119 CB LYS A 7 3.371 9.351 6.563 1.00 50.51 C ATOM 120 CG LYS A 7 2.456 9.544 5.315 1.00 23.32 C ATOM 121 CD LYS A 7 1.647 8.285 4.897 1.00 61.33 C ATOM 122 CE LYS A 7 0.704 7.761 5.997 1.00 0.12 C ATOM 123 NZ LYS A 7 -0.363 8.734 6.341 1.00 11.43 N ATOM 0 H LYS A 7 5.022 9.681 4.649 1.00 54.35 H new ATOM 0 HA LYS A 7 5.260 8.645 7.289 1.00 45.45 H new ATOM 0 HB2 LYS A 7 2.776 8.881 7.347 1.00 50.51 H new ATOM 0 HB3 LYS A 7 3.656 10.338 6.927 1.00 50.51 H new ATOM 0 HG2 LYS A 7 1.758 10.356 5.516 1.00 23.32 H new ATOM 0 HG3 LYS A 7 3.075 9.857 4.474 1.00 23.32 H new ATOM 0 HD2 LYS A 7 1.060 8.520 4.009 1.00 61.33 H new ATOM 0 HD3 LYS A 7 2.342 7.493 4.619 1.00 61.33 H new ATOM 0 HE2 LYS A 7 0.248 6.828 5.666 1.00 0.12 H new ATOM 0 HE3 LYS A 7 1.285 7.532 6.891 1.00 0.12 H new ATOM 0 HZ1 LYS A 7 -1.168 8.231 6.765 1.00 11.43 H new ATOM 0 HZ2 LYS A 7 0.007 9.429 7.020 1.00 11.43 H new ATOM 0 HZ3 LYS A 7 -0.676 9.225 5.479 1.00 11.43 H new ATOM 137 N ALA A 8 4.450 6.448 5.028 1.00 53.35 N ATOM 138 CA ALA A 8 4.406 4.987 4.777 1.00 32.51 C ATOM 139 C ALA A 8 5.610 4.279 5.448 1.00 33.51 C ATOM 140 O ALA A 8 5.463 3.221 6.073 1.00 43.14 O ATOM 141 CB ALA A 8 4.388 4.720 3.263 1.00 71.45 C ATOM 0 H ALA A 8 4.512 7.009 4.178 1.00 53.35 H new ATOM 0 HA ALA A 8 3.495 4.581 5.215 1.00 32.51 H new ATOM 0 HB1 ALA A 8 4.356 3.645 3.083 1.00 71.45 H new ATOM 0 HB2 ALA A 8 3.508 5.188 2.821 1.00 71.45 H new ATOM 0 HB3 ALA A 8 5.287 5.137 2.809 1.00 71.45 H new ATOM 147 N GLY A 9 6.788 4.919 5.332 1.00 52.43 N ATOM 148 CA GLY A 9 8.021 4.454 5.980 1.00 75.04 C ATOM 149 C GLY A 9 8.022 4.633 7.505 1.00 52.11 C ATOM 150 O GLY A 9 8.582 3.807 8.230 1.00 70.22 O ATOM 0 H GLY A 9 6.908 5.772 4.786 1.00 52.43 H new ATOM 0 HA2 GLY A 9 8.168 3.399 5.747 1.00 75.04 H new ATOM 0 HA3 GLY A 9 8.869 4.995 5.559 1.00 75.04 H new ATOM 154 N ALA A 10 7.400 5.724 7.985 1.00 73.42 N ATOM 155 CA ALA A 10 7.227 5.993 9.435 1.00 12.13 C ATOM 156 C ALA A 10 6.350 4.915 10.127 1.00 33.44 C ATOM 157 O ALA A 10 6.676 4.435 11.221 1.00 11.33 O ATOM 158 CB ALA A 10 6.619 7.388 9.638 1.00 1.32 C ATOM 0 H ALA A 10 7.002 6.447 7.385 1.00 73.42 H new ATOM 0 HA ALA A 10 8.212 5.954 9.900 1.00 12.13 H new ATOM 0 HB1 ALA A 10 6.495 7.579 10.704 1.00 1.32 H new ATOM 0 HB2 ALA A 10 7.282 8.140 9.209 1.00 1.32 H new ATOM 0 HB3 ALA A 10 5.648 7.437 9.145 1.00 1.32 H new ATOM 164 N LEU A 11 5.244 4.536 9.459 1.00 71.43 N ATOM 165 CA LEU A 11 4.302 3.501 9.955 1.00 42.11 C ATOM 166 C LEU A 11 4.852 2.072 9.747 1.00 60.11 C ATOM 167 O LEU A 11 4.380 1.126 10.384 1.00 20.32 O ATOM 168 CB LEU A 11 2.931 3.652 9.247 1.00 24.01 C ATOM 169 CG LEU A 11 2.263 5.060 9.362 1.00 73.10 C ATOM 170 CD1 LEU A 11 0.945 5.117 8.575 1.00 23.34 C ATOM 171 CD2 LEU A 11 2.069 5.487 10.834 1.00 33.11 C ATOM 0 H LEU A 11 4.974 4.935 8.560 1.00 71.43 H new ATOM 0 HA LEU A 11 4.179 3.652 11.027 1.00 42.11 H new ATOM 0 HB2 LEU A 11 3.060 3.416 8.191 1.00 24.01 H new ATOM 0 HB3 LEU A 11 2.246 2.910 9.658 1.00 24.01 H new ATOM 0 HG LEU A 11 2.945 5.781 8.912 1.00 73.10 H new ATOM 0 HD11 LEU A 11 0.504 6.109 8.674 1.00 23.34 H new ATOM 0 HD12 LEU A 11 1.140 4.911 7.523 1.00 23.34 H new ATOM 0 HD13 LEU A 11 0.254 4.372 8.969 1.00 23.34 H new ATOM 0 HD21 LEU A 11 1.602 6.471 10.869 1.00 33.11 H new ATOM 0 HD22 LEU A 11 1.430 4.764 11.341 1.00 33.11 H new ATOM 0 HD23 LEU A 11 3.038 5.527 11.332 1.00 33.11 H new ATOM 183 N ALA A 12 5.840 1.928 8.846 1.00 55.31 N ATOM 184 CA ALA A 12 6.507 0.637 8.575 1.00 51.12 C ATOM 185 C ALA A 12 7.141 0.017 9.847 1.00 4.14 C ATOM 186 O ALA A 12 6.845 -1.130 10.202 1.00 61.40 O ATOM 187 CB ALA A 12 7.569 0.805 7.476 1.00 5.52 C ATOM 0 H ALA A 12 6.200 2.700 8.285 1.00 55.31 H new ATOM 0 HA ALA A 12 5.737 -0.055 8.232 1.00 51.12 H new ATOM 0 HB1 ALA A 12 8.052 -0.154 7.287 1.00 5.52 H new ATOM 0 HB2 ALA A 12 7.093 1.158 6.561 1.00 5.52 H new ATOM 0 HB3 ALA A 12 8.316 1.530 7.800 1.00 5.52 H new ATOM 193 N GLY A 13 7.978 0.814 10.531 1.00 33.23 N ATOM 194 CA GLY A 13 8.696 0.372 11.738 1.00 10.52 C ATOM 195 C GLY A 13 7.802 -0.180 12.864 1.00 5.34 C ATOM 196 O GLY A 13 8.134 -1.195 13.486 1.00 21.53 O ATOM 0 H GLY A 13 8.176 1.779 10.265 1.00 33.23 H new ATOM 0 HA2 GLY A 13 9.413 -0.398 11.454 1.00 10.52 H new ATOM 0 HA3 GLY A 13 9.269 1.212 12.129 1.00 10.52 H new ATOM 200 N GLN A 14 6.657 0.488 13.118 1.00 62.31 N ATOM 201 CA GLN A 14 5.728 0.109 14.217 1.00 73.21 C ATOM 202 C GLN A 14 4.912 -1.172 13.881 1.00 54.14 C ATOM 203 O GLN A 14 4.632 -1.986 14.773 1.00 34.21 O ATOM 204 CB GLN A 14 4.784 1.293 14.572 1.00 60.40 C ATOM 205 CG GLN A 14 3.842 1.731 13.437 1.00 45.41 C ATOM 206 CD GLN A 14 2.962 2.923 13.801 1.00 50.34 C ATOM 207 OE1 GLN A 14 1.860 2.766 14.308 1.00 0.34 O ATOM 208 NE2 GLN A 14 3.449 4.123 13.563 1.00 64.13 N ATOM 0 H GLN A 14 6.348 1.296 12.578 1.00 62.31 H new ATOM 0 HA GLN A 14 6.338 -0.122 15.090 1.00 73.21 H new ATOM 0 HB2 GLN A 14 4.182 1.013 15.437 1.00 60.40 H new ATOM 0 HB3 GLN A 14 5.392 2.147 14.870 1.00 60.40 H new ATOM 0 HG2 GLN A 14 4.437 1.984 12.559 1.00 45.41 H new ATOM 0 HG3 GLN A 14 3.205 0.891 13.160 1.00 45.41 H new ATOM 0 HE21 GLN A 14 4.371 4.224 13.139 1.00 64.13 H new ATOM 0 HE22 GLN A 14 2.904 4.951 13.803 1.00 64.13 H new ATOM 217 N ILE A 15 4.527 -1.342 12.590 1.00 53.44 N ATOM 218 CA ILE A 15 3.817 -2.564 12.113 1.00 34.53 C ATOM 219 C ILE A 15 4.758 -3.787 12.170 1.00 44.04 C ATOM 220 O ILE A 15 4.361 -4.871 12.606 1.00 74.32 O ATOM 221 CB ILE A 15 3.235 -2.375 10.655 1.00 21.20 C ATOM 222 CG1 ILE A 15 2.194 -1.209 10.630 1.00 75.32 C ATOM 223 CG2 ILE A 15 2.602 -3.688 10.107 1.00 64.43 C ATOM 224 CD1 ILE A 15 1.584 -0.918 9.267 1.00 70.30 C ATOM 0 H ILE A 15 4.695 -0.651 11.859 1.00 53.44 H new ATOM 0 HA ILE A 15 2.972 -2.737 12.779 1.00 34.53 H new ATOM 0 HB ILE A 15 4.068 -2.119 10.000 1.00 21.20 H new ATOM 0 HG12 ILE A 15 1.390 -1.445 11.328 1.00 75.32 H new ATOM 0 HG13 ILE A 15 2.677 -0.303 10.995 1.00 75.32 H new ATOM 0 HG21 ILE A 15 2.214 -3.514 9.103 1.00 64.43 H new ATOM 0 HG22 ILE A 15 3.360 -4.471 10.073 1.00 64.43 H new ATOM 0 HG23 ILE A 15 1.788 -4.000 10.761 1.00 64.43 H new ATOM 0 HD11 ILE A 15 0.875 -0.094 9.354 1.00 70.30 H new ATOM 0 HD12 ILE A 15 2.373 -0.646 8.566 1.00 70.30 H new ATOM 0 HD13 ILE A 15 1.066 -1.805 8.903 1.00 70.30 H new ATOM 236 N TRP A 16 6.018 -3.572 11.756 1.00 54.53 N ATOM 237 CA TRP A 16 7.086 -4.590 11.835 1.00 73.21 C ATOM 238 C TRP A 16 7.276 -5.081 13.299 1.00 52.53 C ATOM 239 O TRP A 16 7.342 -6.283 13.560 1.00 52.13 O ATOM 240 CB TRP A 16 8.411 -3.993 11.275 1.00 0.35 C ATOM 241 CG TRP A 16 9.521 -5.009 11.125 1.00 53.31 C ATOM 242 CD1 TRP A 16 9.775 -5.785 10.030 1.00 2.15 C ATOM 243 CD2 TRP A 16 10.510 -5.367 12.105 1.00 54.32 C ATOM 244 NE1 TRP A 16 10.846 -6.607 10.276 1.00 12.44 N ATOM 245 CE2 TRP A 16 11.319 -6.364 11.538 1.00 62.41 C ATOM 246 CE3 TRP A 16 10.786 -4.933 13.406 1.00 12.33 C ATOM 247 CZ2 TRP A 16 12.378 -6.946 12.227 1.00 2.41 C ATOM 248 CZ3 TRP A 16 11.836 -5.507 14.089 1.00 33.44 C ATOM 249 CH2 TRP A 16 12.625 -6.503 13.500 1.00 40.25 C ATOM 0 H TRP A 16 6.328 -2.686 11.356 1.00 54.53 H new ATOM 0 HA TRP A 16 6.801 -5.453 11.233 1.00 73.21 H new ATOM 0 HB2 TRP A 16 8.213 -3.539 10.304 1.00 0.35 H new ATOM 0 HB3 TRP A 16 8.748 -3.195 11.937 1.00 0.35 H new ATOM 0 HD1 TRP A 16 9.215 -5.756 9.107 1.00 2.15 H new ATOM 0 HE1 TRP A 16 11.229 -7.290 9.623 1.00 12.44 H new ATOM 0 HE3 TRP A 16 10.187 -4.162 13.867 1.00 12.33 H new ATOM 0 HZ2 TRP A 16 12.983 -7.718 11.775 1.00 2.41 H new ATOM 0 HZ3 TRP A 16 12.054 -5.183 15.096 1.00 33.44 H new ATOM 0 HH2 TRP A 16 13.444 -6.930 14.060 1.00 40.25 H new ATOM 260 N GLU A 17 7.351 -4.114 14.234 1.00 10.42 N ATOM 261 CA GLU A 17 7.481 -4.377 15.692 1.00 23.42 C ATOM 262 C GLU A 17 6.241 -5.091 16.295 1.00 13.33 C ATOM 263 O GLU A 17 6.374 -5.846 17.269 1.00 63.44 O ATOM 264 CB GLU A 17 7.779 -3.047 16.448 1.00 33.40 C ATOM 265 CG GLU A 17 9.275 -2.669 16.519 1.00 65.13 C ATOM 266 CD GLU A 17 10.069 -3.542 17.517 1.00 5.42 C ATOM 267 OE1 GLU A 17 10.512 -4.655 17.152 1.00 23.11 O ATOM 268 OE2 GLU A 17 10.244 -3.122 18.679 1.00 44.25 O ATOM 0 H GLU A 17 7.323 -3.121 14.004 1.00 10.42 H new ATOM 0 HA GLU A 17 8.318 -5.064 15.821 1.00 23.42 H new ATOM 0 HB2 GLU A 17 7.236 -2.238 15.960 1.00 33.40 H new ATOM 0 HB3 GLU A 17 7.389 -3.126 17.463 1.00 33.40 H new ATOM 0 HG2 GLU A 17 9.717 -2.767 15.527 1.00 65.13 H new ATOM 0 HG3 GLU A 17 9.367 -1.622 16.807 1.00 65.13 H new ATOM 275 N ALA A 18 5.048 -4.841 15.721 1.00 11.03 N ATOM 276 CA ALA A 18 3.799 -5.542 16.117 1.00 35.52 C ATOM 277 C ALA A 18 3.876 -7.049 15.765 1.00 4.41 C ATOM 278 O ALA A 18 3.397 -7.907 16.518 1.00 64.32 O ATOM 279 CB ALA A 18 2.582 -4.882 15.442 1.00 75.40 C ATOM 0 H ALA A 18 4.917 -4.156 14.977 1.00 11.03 H new ATOM 0 HA ALA A 18 3.683 -5.458 17.198 1.00 35.52 H new ATOM 0 HB1 ALA A 18 1.673 -5.404 15.740 1.00 75.40 H new ATOM 0 HB2 ALA A 18 2.518 -3.838 15.749 1.00 75.40 H new ATOM 0 HB3 ALA A 18 2.693 -4.936 14.359 1.00 75.40 H new ATOM 285 N LEU A 19 4.497 -7.343 14.605 1.00 52.51 N ATOM 286 CA LEU A 19 4.716 -8.724 14.108 1.00 51.02 C ATOM 287 C LEU A 19 5.946 -9.394 14.767 1.00 72.24 C ATOM 288 O LEU A 19 6.012 -10.629 14.851 1.00 13.32 O ATOM 289 CB LEU A 19 4.865 -8.726 12.550 1.00 72.33 C ATOM 290 CG LEU A 19 3.548 -8.664 11.701 1.00 42.04 C ATOM 291 CD1 LEU A 19 2.642 -7.482 12.097 1.00 60.44 C ATOM 292 CD2 LEU A 19 3.875 -8.619 10.190 1.00 54.14 C ATOM 0 H LEU A 19 4.865 -6.626 13.979 1.00 52.51 H new ATOM 0 HA LEU A 19 3.840 -9.310 14.385 1.00 51.02 H new ATOM 0 HB2 LEU A 19 5.487 -7.876 12.270 1.00 72.33 H new ATOM 0 HB3 LEU A 19 5.408 -9.627 12.264 1.00 72.33 H new ATOM 0 HG LEU A 19 2.990 -9.575 11.916 1.00 42.04 H new ATOM 0 HD11 LEU A 19 1.745 -7.488 11.478 1.00 60.44 H new ATOM 0 HD12 LEU A 19 2.359 -7.576 13.146 1.00 60.44 H new ATOM 0 HD13 LEU A 19 3.180 -6.546 11.948 1.00 60.44 H new ATOM 0 HD21 LEU A 19 2.948 -8.576 9.618 1.00 54.14 H new ATOM 0 HD22 LEU A 19 4.476 -7.735 9.974 1.00 54.14 H new ATOM 0 HD23 LEU A 19 4.432 -9.514 9.912 1.00 54.14 H new ATOM 304 N ASN A 20 6.916 -8.581 15.226 1.00 13.45 N ATOM 305 CA ASN A 20 8.199 -9.085 15.761 1.00 40.51 C ATOM 306 C ASN A 20 8.023 -9.820 17.113 1.00 60.42 C ATOM 307 O ASN A 20 7.299 -9.355 18.000 1.00 71.25 O ATOM 308 CB ASN A 20 9.230 -7.931 15.872 1.00 61.34 C ATOM 309 CG ASN A 20 10.651 -8.415 16.187 1.00 31.54 C ATOM 310 OD1 ASN A 20 11.028 -9.540 15.871 1.00 3.30 O ATOM 311 ND2 ASN A 20 11.460 -7.564 16.778 1.00 71.32 N ATOM 0 H ASN A 20 6.836 -7.564 15.238 1.00 13.45 H new ATOM 0 HA ASN A 20 8.582 -9.823 15.056 1.00 40.51 H new ATOM 0 HB2 ASN A 20 9.243 -7.373 14.936 1.00 61.34 H new ATOM 0 HB3 ASN A 20 8.908 -7.239 16.651 1.00 61.34 H new ATOM 0 HD21 ASN A 20 12.422 -7.833 16.983 1.00 71.32 H new ATOM 0 HD22 ASN A 20 11.125 -6.634 17.032 1.00 71.32 H new ATOM 318 N GLY A 21 8.698 -10.981 17.238 1.00 43.40 N ATOM 319 CA GLY A 21 8.576 -11.860 18.411 1.00 73.52 C ATOM 320 C GLY A 21 7.334 -12.767 18.378 1.00 11.52 C ATOM 321 O GLY A 21 7.065 -13.493 19.341 1.00 41.15 O ATOM 0 H GLY A 21 9.341 -11.332 16.528 1.00 43.40 H new ATOM 0 HA2 GLY A 21 9.468 -12.483 18.482 1.00 73.52 H new ATOM 0 HA3 GLY A 21 8.543 -11.247 19.312 1.00 73.52 H new ATOM 325 N THR A 22 6.589 -12.739 17.255 1.00 64.35 N ATOM 326 CA THR A 22 5.326 -13.503 17.076 1.00 1.13 C ATOM 327 C THR A 22 5.419 -14.389 15.806 1.00 44.12 C ATOM 328 O THR A 22 6.249 -14.132 14.929 1.00 71.20 O ATOM 329 CB THR A 22 4.105 -12.514 16.966 1.00 32.30 C ATOM 330 OG1 THR A 22 4.191 -11.510 17.990 1.00 65.24 O ATOM 331 CG2 THR A 22 2.743 -13.230 17.095 1.00 61.32 C ATOM 0 H THR A 22 6.844 -12.184 16.438 1.00 64.35 H new ATOM 0 HA THR A 22 5.175 -14.147 17.943 1.00 1.13 H new ATOM 0 HB THR A 22 4.159 -12.064 15.974 1.00 32.30 H new ATOM 0 HG1 THR A 22 3.429 -10.898 17.913 1.00 65.24 H new ATOM 0 HG21 THR A 22 1.938 -12.499 17.012 1.00 61.32 H new ATOM 0 HG22 THR A 22 2.645 -13.970 16.301 1.00 61.32 H new ATOM 0 HG23 THR A 22 2.683 -13.726 18.064 1.00 61.32 H new ATOM 339 N GLU A 23 4.559 -15.423 15.706 1.00 5.53 N ATOM 340 CA GLU A 23 4.537 -16.356 14.550 1.00 4.23 C ATOM 341 C GLU A 23 3.659 -15.829 13.381 1.00 54.30 C ATOM 342 O GLU A 23 3.546 -16.493 12.345 1.00 74.41 O ATOM 343 CB GLU A 23 4.041 -17.752 15.019 1.00 23.14 C ATOM 344 CG GLU A 23 4.845 -18.357 16.194 1.00 42.23 C ATOM 345 CD GLU A 23 6.333 -18.612 15.875 1.00 53.44 C ATOM 346 OE1 GLU A 23 6.663 -19.696 15.346 1.00 11.31 O ATOM 347 OE2 GLU A 23 7.180 -17.730 16.141 1.00 72.24 O ATOM 0 H GLU A 23 3.861 -15.638 16.418 1.00 5.53 H new ATOM 0 HA GLU A 23 5.554 -16.436 14.167 1.00 4.23 H new ATOM 0 HB2 GLU A 23 2.995 -17.671 15.315 1.00 23.14 H new ATOM 0 HB3 GLU A 23 4.082 -18.440 14.175 1.00 23.14 H new ATOM 0 HG2 GLU A 23 4.778 -17.685 17.050 1.00 42.23 H new ATOM 0 HG3 GLU A 23 4.382 -19.298 16.491 1.00 42.23 H new ATOM 354 N GLY A 24 3.046 -14.635 13.550 1.00 13.44 N ATOM 355 CA GLY A 24 2.221 -14.017 12.496 1.00 31.20 C ATOM 356 C GLY A 24 0.880 -13.483 12.993 1.00 71.02 C ATOM 357 O GLY A 24 0.204 -14.136 13.795 1.00 41.03 O ATOM 0 H GLY A 24 3.109 -14.084 14.406 1.00 13.44 H new ATOM 0 HA2 GLY A 24 2.781 -13.199 12.043 1.00 31.20 H new ATOM 0 HA3 GLY A 24 2.040 -14.752 11.712 1.00 31.20 H new ATOM 361 N LEU A 25 0.480 -12.299 12.494 1.00 25.12 N ATOM 362 CA LEU A 25 -0.804 -11.647 12.851 1.00 25.44 C ATOM 363 C LEU A 25 -1.637 -11.384 11.579 1.00 32.14 C ATOM 364 O LEU A 25 -1.092 -11.245 10.488 1.00 73.44 O ATOM 365 CB LEU A 25 -0.595 -10.281 13.597 1.00 2.33 C ATOM 366 CG LEU A 25 0.119 -10.306 14.992 1.00 12.02 C ATOM 367 CD1 LEU A 25 1.634 -10.547 14.862 1.00 14.44 C ATOM 368 CD2 LEU A 25 -0.161 -9.007 15.793 1.00 41.11 C ATOM 0 H LEU A 25 1.037 -11.762 11.829 1.00 25.12 H new ATOM 0 HA LEU A 25 -1.325 -12.330 13.522 1.00 25.44 H new ATOM 0 HB2 LEU A 25 -0.022 -9.626 12.940 1.00 2.33 H new ATOM 0 HB3 LEU A 25 -1.574 -9.821 13.731 1.00 2.33 H new ATOM 0 HG LEU A 25 -0.301 -11.146 15.545 1.00 12.02 H new ATOM 0 HD11 LEU A 25 2.087 -10.556 15.853 1.00 14.44 H new ATOM 0 HD12 LEU A 25 1.809 -11.506 14.374 1.00 14.44 H new ATOM 0 HD13 LEU A 25 2.079 -9.750 14.267 1.00 14.44 H new ATOM 0 HD21 LEU A 25 0.348 -9.056 16.755 1.00 41.11 H new ATOM 0 HD22 LEU A 25 0.206 -8.147 15.232 1.00 41.11 H new ATOM 0 HD23 LEU A 25 -1.234 -8.904 15.955 1.00 41.11 H new ATOM 380 N THR A 26 -2.963 -11.308 11.737 1.00 13.43 N ATOM 381 CA THR A 26 -3.870 -10.801 10.685 1.00 4.32 C ATOM 382 C THR A 26 -4.068 -9.280 10.862 1.00 13.54 C ATOM 383 O THR A 26 -3.788 -8.732 11.936 1.00 74.24 O ATOM 384 CB THR A 26 -5.260 -11.521 10.719 1.00 33.44 C ATOM 385 OG1 THR A 26 -5.722 -11.595 12.073 1.00 70.32 O ATOM 386 CG2 THR A 26 -5.209 -12.936 10.112 1.00 45.32 C ATOM 0 H THR A 26 -3.442 -11.593 12.591 1.00 13.43 H new ATOM 0 HA THR A 26 -3.411 -11.009 9.718 1.00 4.32 H new ATOM 0 HB THR A 26 -5.948 -10.934 10.110 1.00 33.44 H new ATOM 0 HG1 THR A 26 -6.508 -12.179 12.119 1.00 70.32 H new ATOM 0 HG21 THR A 26 -6.199 -13.389 10.161 1.00 45.32 H new ATOM 0 HG22 THR A 26 -4.890 -12.874 9.072 1.00 45.32 H new ATOM 0 HG23 THR A 26 -4.502 -13.547 10.673 1.00 45.32 H new ATOM 394 N GLN A 27 -4.570 -8.614 9.804 1.00 5.43 N ATOM 395 CA GLN A 27 -4.768 -7.140 9.768 1.00 2.05 C ATOM 396 C GLN A 27 -5.625 -6.602 10.953 1.00 42.32 C ATOM 397 O GLN A 27 -5.444 -5.460 11.394 1.00 55.22 O ATOM 398 CB GLN A 27 -5.388 -6.740 8.402 1.00 2.45 C ATOM 399 CG GLN A 27 -6.727 -7.423 8.055 1.00 14.32 C ATOM 400 CD GLN A 27 -7.282 -7.038 6.673 1.00 41.02 C ATOM 401 OE1 GLN A 27 -7.937 -7.835 6.014 1.00 53.23 O ATOM 402 NE2 GLN A 27 -7.055 -5.809 6.232 1.00 3.03 N ATOM 0 H GLN A 27 -4.853 -9.080 8.942 1.00 5.43 H new ATOM 0 HA GLN A 27 -3.789 -6.675 9.882 1.00 2.05 H new ATOM 0 HB2 GLN A 27 -5.538 -5.660 8.393 1.00 2.45 H new ATOM 0 HB3 GLN A 27 -4.669 -6.969 7.615 1.00 2.45 H new ATOM 0 HG2 GLN A 27 -6.593 -8.504 8.094 1.00 14.32 H new ATOM 0 HG3 GLN A 27 -7.463 -7.165 8.816 1.00 14.32 H new ATOM 0 HE21 GLN A 27 -6.507 -5.158 6.795 1.00 3.03 H new ATOM 0 HE22 GLN A 27 -7.428 -5.514 5.330 1.00 3.03 H new ATOM 411 N LYS A 28 -6.550 -7.444 11.448 1.00 33.24 N ATOM 412 CA LYS A 28 -7.392 -7.141 12.632 1.00 12.11 C ATOM 413 C LYS A 28 -6.543 -6.953 13.930 1.00 52.11 C ATOM 414 O LYS A 28 -6.793 -6.034 14.710 1.00 24.34 O ATOM 415 CB LYS A 28 -8.456 -8.272 12.806 1.00 54.45 C ATOM 416 CG LYS A 28 -7.897 -9.646 13.249 1.00 1.51 C ATOM 417 CD LYS A 28 -8.831 -10.859 12.972 1.00 55.14 C ATOM 418 CE LYS A 28 -10.254 -10.731 13.557 1.00 30.21 C ATOM 419 NZ LYS A 28 -11.149 -9.899 12.708 1.00 23.14 N ATOM 0 H LYS A 28 -6.740 -8.359 11.040 1.00 33.24 H new ATOM 0 HA LYS A 28 -7.898 -6.191 12.462 1.00 12.11 H new ATOM 0 HB2 LYS A 28 -9.193 -7.945 13.540 1.00 54.45 H new ATOM 0 HB3 LYS A 28 -8.983 -8.401 11.861 1.00 54.45 H new ATOM 0 HG2 LYS A 28 -6.947 -9.815 12.741 1.00 1.51 H new ATOM 0 HG3 LYS A 28 -7.685 -9.607 14.317 1.00 1.51 H new ATOM 0 HD2 LYS A 28 -8.909 -11.000 11.894 1.00 55.14 H new ATOM 0 HD3 LYS A 28 -8.366 -11.757 13.379 1.00 55.14 H new ATOM 0 HE2 LYS A 28 -10.687 -11.725 13.670 1.00 30.21 H new ATOM 0 HE3 LYS A 28 -10.195 -10.294 14.554 1.00 30.21 H new ATOM 0 HZ1 LYS A 28 -12.141 -10.123 12.926 1.00 23.14 H new ATOM 0 HZ2 LYS A 28 -10.971 -8.892 12.899 1.00 23.14 H new ATOM 0 HZ3 LYS A 28 -10.961 -10.100 11.705 1.00 23.14 H new ATOM 433 N GLN A 29 -5.526 -7.814 14.122 1.00 61.03 N ATOM 434 CA GLN A 29 -4.676 -7.828 15.342 1.00 2.51 C ATOM 435 C GLN A 29 -3.629 -6.688 15.355 1.00 13.01 C ATOM 436 O GLN A 29 -3.350 -6.091 16.405 1.00 21.44 O ATOM 437 CB GLN A 29 -3.958 -9.204 15.465 1.00 70.52 C ATOM 438 CG GLN A 29 -4.879 -10.446 15.503 1.00 63.04 C ATOM 439 CD GLN A 29 -5.811 -10.543 16.728 1.00 25.15 C ATOM 440 OE1 GLN A 29 -6.273 -9.554 17.287 1.00 22.34 O ATOM 441 NE2 GLN A 29 -6.097 -11.753 17.158 1.00 14.34 N ATOM 0 H GLN A 29 -5.265 -8.524 13.438 1.00 61.03 H new ATOM 0 HA GLN A 29 -5.335 -7.667 16.195 1.00 2.51 H new ATOM 0 HB2 GLN A 29 -3.272 -9.310 14.625 1.00 70.52 H new ATOM 0 HB3 GLN A 29 -3.353 -9.196 16.372 1.00 70.52 H new ATOM 0 HG2 GLN A 29 -5.491 -10.451 14.601 1.00 63.04 H new ATOM 0 HG3 GLN A 29 -4.256 -11.340 15.470 1.00 63.04 H new ATOM 0 HE21 GLN A 29 -5.707 -12.568 16.685 1.00 14.34 H new ATOM 0 HE22 GLN A 29 -6.709 -11.876 17.965 1.00 14.34 H new ATOM 450 N ILE A 30 -3.052 -6.408 14.177 1.00 20.13 N ATOM 451 CA ILE A 30 -1.926 -5.454 14.026 1.00 41.25 C ATOM 452 C ILE A 30 -2.314 -4.010 14.436 1.00 42.32 C ATOM 453 O ILE A 30 -1.567 -3.340 15.151 1.00 43.13 O ATOM 454 CB ILE A 30 -1.394 -5.443 12.549 1.00 4.42 C ATOM 455 CG1 ILE A 30 -1.074 -6.898 12.072 1.00 51.13 C ATOM 456 CG2 ILE A 30 -0.149 -4.525 12.415 1.00 34.21 C ATOM 457 CD1 ILE A 30 -0.741 -7.031 10.598 1.00 53.31 C ATOM 0 H ILE A 30 -3.348 -6.833 13.298 1.00 20.13 H new ATOM 0 HA ILE A 30 -1.141 -5.800 14.699 1.00 41.25 H new ATOM 0 HB ILE A 30 -2.175 -5.038 11.906 1.00 4.42 H new ATOM 0 HG12 ILE A 30 -0.235 -7.279 12.654 1.00 51.13 H new ATOM 0 HG13 ILE A 30 -1.931 -7.534 12.294 1.00 51.13 H new ATOM 0 HG21 ILE A 30 0.201 -4.534 11.383 1.00 34.21 H new ATOM 0 HG22 ILE A 30 -0.415 -3.507 12.699 1.00 34.21 H new ATOM 0 HG23 ILE A 30 0.643 -4.888 13.070 1.00 34.21 H new ATOM 0 HD11 ILE A 30 -0.534 -8.075 10.364 1.00 53.31 H new ATOM 0 HD12 ILE A 30 -1.586 -6.686 10.002 1.00 53.31 H new ATOM 0 HD13 ILE A 30 0.137 -6.427 10.367 1.00 53.31 H new ATOM 469 N LYS A 31 -3.494 -3.557 13.980 1.00 42.02 N ATOM 470 CA LYS A 31 -3.986 -2.171 14.229 1.00 13.21 C ATOM 471 C LYS A 31 -4.254 -1.901 15.734 1.00 21.31 C ATOM 472 O LYS A 31 -4.242 -0.751 16.170 1.00 72.35 O ATOM 473 CB LYS A 31 -5.249 -1.870 13.388 1.00 52.53 C ATOM 474 CG LYS A 31 -5.075 -2.094 11.865 1.00 14.02 C ATOM 475 CD LYS A 31 -6.301 -1.627 11.040 1.00 32.02 C ATOM 476 CE LYS A 31 -7.633 -2.238 11.525 1.00 65.53 C ATOM 477 NZ LYS A 31 -7.642 -3.726 11.472 1.00 32.25 N ATOM 0 H LYS A 31 -4.137 -4.128 13.431 1.00 42.02 H new ATOM 0 HA LYS A 31 -3.191 -1.494 13.917 1.00 13.21 H new ATOM 0 HB2 LYS A 31 -6.065 -2.498 13.744 1.00 52.53 H new ATOM 0 HB3 LYS A 31 -5.546 -0.835 13.559 1.00 52.53 H new ATOM 0 HG2 LYS A 31 -4.189 -1.559 11.524 1.00 14.02 H new ATOM 0 HG3 LYS A 31 -4.900 -3.153 11.677 1.00 14.02 H new ATOM 0 HD2 LYS A 31 -6.369 -0.540 11.088 1.00 32.02 H new ATOM 0 HD3 LYS A 31 -6.148 -1.891 9.994 1.00 32.02 H new ATOM 0 HE2 LYS A 31 -7.824 -1.915 12.548 1.00 65.53 H new ATOM 0 HE3 LYS A 31 -8.448 -1.853 10.912 1.00 65.53 H new ATOM 0 HZ1 LYS A 31 -8.285 -4.043 10.719 1.00 32.25 H new ATOM 0 HZ2 LYS A 31 -6.681 -4.072 11.275 1.00 32.25 H new ATOM 0 HZ3 LYS A 31 -7.965 -4.104 12.385 1.00 32.25 H new ATOM 491 N LYS A 32 -4.532 -2.974 16.500 1.00 11.34 N ATOM 492 CA LYS A 32 -4.613 -2.925 17.981 1.00 52.33 C ATOM 493 C LYS A 32 -3.231 -2.587 18.596 1.00 54.44 C ATOM 494 O LYS A 32 -3.107 -1.679 19.430 1.00 53.12 O ATOM 495 CB LYS A 32 -5.127 -4.300 18.513 1.00 35.33 C ATOM 496 CG LYS A 32 -5.094 -4.491 20.055 1.00 2.33 C ATOM 497 CD LYS A 32 -6.046 -3.541 20.826 1.00 50.10 C ATOM 498 CE LYS A 32 -7.530 -3.798 20.506 1.00 61.03 C ATOM 499 NZ LYS A 32 -8.427 -2.884 21.256 1.00 54.51 N ATOM 0 H LYS A 32 -4.707 -3.901 16.113 1.00 11.34 H new ATOM 0 HA LYS A 32 -5.310 -2.140 18.275 1.00 52.33 H new ATOM 0 HB2 LYS A 32 -6.153 -4.438 18.172 1.00 35.33 H new ATOM 0 HB3 LYS A 32 -4.530 -5.090 18.056 1.00 35.33 H new ATOM 0 HG2 LYS A 32 -5.358 -5.522 20.289 1.00 2.33 H new ATOM 0 HG3 LYS A 32 -4.075 -4.334 20.409 1.00 2.33 H new ATOM 0 HD2 LYS A 32 -5.883 -3.661 21.897 1.00 50.10 H new ATOM 0 HD3 LYS A 32 -5.799 -2.508 20.580 1.00 50.10 H new ATOM 0 HE2 LYS A 32 -7.697 -3.673 19.436 1.00 61.03 H new ATOM 0 HE3 LYS A 32 -7.780 -4.831 20.749 1.00 61.03 H new ATOM 0 HZ1 LYS A 32 -9.416 -3.091 21.011 1.00 54.51 H new ATOM 0 HZ2 LYS A 32 -8.287 -3.021 22.277 1.00 54.51 H new ATOM 0 HZ3 LYS A 32 -8.207 -1.899 21.005 1.00 54.51 H new ATOM 513 N ALA A 33 -2.202 -3.327 18.147 1.00 55.44 N ATOM 514 CA ALA A 33 -0.819 -3.206 18.661 1.00 24.21 C ATOM 515 C ALA A 33 -0.138 -1.875 18.234 1.00 5.55 C ATOM 516 O ALA A 33 0.678 -1.317 18.978 1.00 10.02 O ATOM 517 CB ALA A 33 0.012 -4.408 18.178 1.00 62.12 C ATOM 0 H ALA A 33 -2.303 -4.030 17.415 1.00 55.44 H new ATOM 0 HA ALA A 33 -0.870 -3.198 19.750 1.00 24.21 H new ATOM 0 HB1 ALA A 33 1.031 -4.321 18.555 1.00 62.12 H new ATOM 0 HB2 ALA A 33 -0.434 -5.331 18.548 1.00 62.12 H new ATOM 0 HB3 ALA A 33 0.029 -4.424 17.088 1.00 62.12 H new ATOM 523 N THR A 34 -0.486 -1.384 17.032 1.00 31.13 N ATOM 524 CA THR A 34 0.110 -0.158 16.434 1.00 74.24 C ATOM 525 C THR A 34 -0.719 1.110 16.727 1.00 70.22 C ATOM 526 O THR A 34 -0.193 2.224 16.637 1.00 32.01 O ATOM 527 CB THR A 34 0.244 -0.309 14.886 1.00 75.42 C ATOM 528 OG1 THR A 34 -1.056 -0.544 14.309 1.00 1.13 O ATOM 529 CG2 THR A 34 1.189 -1.457 14.496 1.00 0.30 C ATOM 0 H THR A 34 -1.191 -1.822 16.439 1.00 31.13 H new ATOM 0 HA THR A 34 1.091 -0.044 16.895 1.00 74.24 H new ATOM 0 HB THR A 34 0.669 0.618 14.501 1.00 75.42 H new ATOM 0 HG1 THR A 34 -1.312 -1.480 14.449 1.00 1.13 H new ATOM 0 HG21 THR A 34 1.251 -1.524 13.410 1.00 0.30 H new ATOM 0 HG22 THR A 34 2.181 -1.266 14.905 1.00 0.30 H new ATOM 0 HG23 THR A 34 0.806 -2.396 14.896 1.00 0.30 H new ATOM 537 N LYS A 35 -2.022 0.914 17.033 1.00 44.30 N ATOM 538 CA LYS A 35 -2.999 1.995 17.328 1.00 65.20 C ATOM 539 C LYS A 35 -3.341 2.853 16.057 1.00 1.32 C ATOM 540 O LYS A 35 -3.834 3.984 16.155 1.00 41.32 O ATOM 541 CB LYS A 35 -2.520 2.860 18.544 1.00 31.21 C ATOM 542 CG LYS A 35 -3.602 3.775 19.162 1.00 63.32 C ATOM 543 CD LYS A 35 -3.119 4.542 20.412 1.00 14.01 C ATOM 544 CE LYS A 35 -2.739 3.603 21.573 1.00 21.14 C ATOM 545 NZ LYS A 35 -2.382 4.346 22.799 1.00 62.30 N ATOM 0 H LYS A 35 -2.435 -0.017 17.084 1.00 44.30 H new ATOM 0 HA LYS A 35 -3.939 1.527 17.620 1.00 65.20 H new ATOM 0 HB2 LYS A 35 -2.144 2.193 19.319 1.00 31.21 H new ATOM 0 HB3 LYS A 35 -1.682 3.479 18.223 1.00 31.21 H new ATOM 0 HG2 LYS A 35 -3.933 4.492 18.411 1.00 63.32 H new ATOM 0 HG3 LYS A 35 -4.469 3.170 19.429 1.00 63.32 H new ATOM 0 HD2 LYS A 35 -2.257 5.154 20.148 1.00 14.01 H new ATOM 0 HD3 LYS A 35 -3.904 5.223 20.742 1.00 14.01 H new ATOM 0 HE2 LYS A 35 -3.574 2.935 21.785 1.00 21.14 H new ATOM 0 HE3 LYS A 35 -1.899 2.978 21.272 1.00 21.14 H new ATOM 0 HZ1 LYS A 35 -2.134 3.674 23.553 1.00 62.30 H new ATOM 0 HZ2 LYS A 35 -1.569 4.965 22.606 1.00 62.30 H new ATOM 0 HZ3 LYS A 35 -3.192 4.923 23.103 1.00 62.30 H new ATOM 559 N LEU A 36 -3.139 2.267 14.858 1.00 61.21 N ATOM 560 CA LEU A 36 -3.412 2.956 13.567 1.00 64.01 C ATOM 561 C LEU A 36 -4.912 3.279 13.370 1.00 44.11 C ATOM 562 O LEU A 36 -5.250 4.355 12.862 1.00 33.15 O ATOM 563 CB LEU A 36 -2.908 2.112 12.366 1.00 10.20 C ATOM 564 CG LEU A 36 -1.361 1.982 12.235 1.00 13.33 C ATOM 565 CD1 LEU A 36 -0.979 1.126 11.013 1.00 0.12 C ATOM 566 CD2 LEU A 36 -0.682 3.371 12.186 1.00 22.43 C ATOM 0 H LEU A 36 -2.787 1.316 14.751 1.00 61.21 H new ATOM 0 HA LEU A 36 -2.867 3.899 13.607 1.00 64.01 H new ATOM 0 HB2 LEU A 36 -3.333 1.111 12.445 1.00 10.20 H new ATOM 0 HB3 LEU A 36 -3.296 2.552 11.448 1.00 10.20 H new ATOM 0 HG LEU A 36 -0.994 1.471 13.125 1.00 13.33 H new ATOM 0 HD11 LEU A 36 0.106 1.052 10.946 1.00 0.12 H new ATOM 0 HD12 LEU A 36 -1.405 0.128 11.120 1.00 0.12 H new ATOM 0 HD13 LEU A 36 -1.368 1.591 10.107 1.00 0.12 H new ATOM 0 HD21 LEU A 36 0.397 3.246 12.094 1.00 22.43 H new ATOM 0 HD22 LEU A 36 -1.057 3.929 11.328 1.00 22.43 H new ATOM 0 HD23 LEU A 36 -0.907 3.919 13.101 1.00 22.43 H new ATOM 578 N LYS A 37 -5.790 2.330 13.794 1.00 65.11 N ATOM 579 CA LYS A 37 -7.272 2.391 13.610 1.00 71.53 C ATOM 580 C LYS A 37 -7.688 2.194 12.124 1.00 51.20 C ATOM 581 O LYS A 37 -8.368 1.216 11.792 1.00 11.24 O ATOM 582 CB LYS A 37 -7.884 3.705 14.184 1.00 70.20 C ATOM 583 CG LYS A 37 -7.678 3.899 15.705 1.00 73.32 C ATOM 584 CD LYS A 37 -8.054 5.320 16.187 1.00 74.32 C ATOM 585 CE LYS A 37 -7.117 6.403 15.615 1.00 53.12 C ATOM 586 NZ LYS A 37 -5.703 6.179 16.024 1.00 4.55 N ATOM 0 H LYS A 37 -5.486 1.487 14.281 1.00 65.11 H new ATOM 0 HA LYS A 37 -7.681 1.558 14.182 1.00 71.53 H new ATOM 0 HB2 LYS A 37 -7.445 4.554 13.660 1.00 70.20 H new ATOM 0 HB3 LYS A 37 -8.953 3.716 13.971 1.00 70.20 H new ATOM 0 HG2 LYS A 37 -8.279 3.167 16.244 1.00 73.32 H new ATOM 0 HG3 LYS A 37 -6.635 3.700 15.954 1.00 73.32 H new ATOM 0 HD2 LYS A 37 -9.081 5.540 15.894 1.00 74.32 H new ATOM 0 HD3 LYS A 37 -8.020 5.352 17.276 1.00 74.32 H new ATOM 0 HE2 LYS A 37 -7.185 6.406 14.527 1.00 53.12 H new ATOM 0 HE3 LYS A 37 -7.444 7.385 15.957 1.00 53.12 H new ATOM 0 HZ1 LYS A 37 -5.113 6.963 15.678 1.00 4.55 H new ATOM 0 HZ2 LYS A 37 -5.645 6.134 17.061 1.00 4.55 H new ATOM 0 HZ3 LYS A 37 -5.362 5.284 15.619 1.00 4.55 H new ATOM 600 N ALA A 38 -7.284 3.132 11.242 1.00 43.51 N ATOM 601 CA ALA A 38 -7.598 3.080 9.796 1.00 74.24 C ATOM 602 C ALA A 38 -6.815 1.958 9.083 1.00 25.22 C ATOM 603 O ALA A 38 -5.602 1.812 9.278 1.00 71.43 O ATOM 604 CB ALA A 38 -7.281 4.434 9.132 1.00 4.41 C ATOM 0 H ALA A 38 -6.732 3.946 11.510 1.00 43.51 H new ATOM 0 HA ALA A 38 -8.662 2.865 9.700 1.00 74.24 H new ATOM 0 HB1 ALA A 38 -7.516 4.382 8.069 1.00 4.41 H new ATOM 0 HB2 ALA A 38 -7.879 5.217 9.598 1.00 4.41 H new ATOM 0 HB3 ALA A 38 -6.223 4.662 9.258 1.00 4.41 H new ATOM 610 N ASP A 39 -7.530 1.174 8.258 1.00 1.12 N ATOM 611 CA ASP A 39 -6.912 0.215 7.316 1.00 74.21 C ATOM 612 C ASP A 39 -6.092 0.962 6.231 1.00 64.51 C ATOM 613 O ASP A 39 -5.101 0.444 5.732 1.00 73.30 O ATOM 614 CB ASP A 39 -8.005 -0.686 6.673 1.00 11.51 C ATOM 615 CG ASP A 39 -9.141 0.114 5.994 1.00 64.11 C ATOM 616 OD1 ASP A 39 -8.989 0.521 4.822 1.00 22.45 O ATOM 617 OD2 ASP A 39 -10.182 0.354 6.638 1.00 41.32 O ATOM 0 H ASP A 39 -8.549 1.184 8.223 1.00 1.12 H new ATOM 0 HA ASP A 39 -6.224 -0.425 7.869 1.00 74.21 H new ATOM 0 HB2 ASP A 39 -7.539 -1.338 5.935 1.00 11.51 H new ATOM 0 HB3 ASP A 39 -8.433 -1.329 7.442 1.00 11.51 H new ATOM 622 N LYS A 40 -6.529 2.199 5.919 1.00 32.24 N ATOM 623 CA LYS A 40 -5.941 3.069 4.863 1.00 12.11 C ATOM 624 C LYS A 40 -4.431 3.311 5.093 1.00 43.10 C ATOM 625 O LYS A 40 -3.602 3.005 4.229 1.00 63.02 O ATOM 626 CB LYS A 40 -6.673 4.445 4.797 1.00 44.44 C ATOM 627 CG LYS A 40 -8.207 4.389 4.549 1.00 20.51 C ATOM 628 CD LYS A 40 -9.039 4.087 5.820 1.00 55.44 C ATOM 629 CE LYS A 40 -10.552 4.259 5.615 1.00 11.33 C ATOM 630 NZ LYS A 40 -10.917 5.649 5.235 1.00 30.12 N ATOM 0 H LYS A 40 -7.316 2.636 6.400 1.00 32.24 H new ATOM 0 HA LYS A 40 -6.071 2.542 3.918 1.00 12.11 H new ATOM 0 HB2 LYS A 40 -6.495 4.974 5.733 1.00 44.44 H new ATOM 0 HB3 LYS A 40 -6.218 5.039 4.004 1.00 44.44 H new ATOM 0 HG2 LYS A 40 -8.532 5.342 4.132 1.00 20.51 H new ATOM 0 HG3 LYS A 40 -8.416 3.625 3.800 1.00 20.51 H new ATOM 0 HD2 LYS A 40 -8.838 3.066 6.143 1.00 55.44 H new ATOM 0 HD3 LYS A 40 -8.712 4.746 6.624 1.00 55.44 H new ATOM 0 HE2 LYS A 40 -10.891 3.572 4.840 1.00 11.33 H new ATOM 0 HE3 LYS A 40 -11.074 3.987 6.533 1.00 11.33 H new ATOM 0 HZ1 LYS A 40 -11.944 5.779 5.338 1.00 30.12 H new ATOM 0 HZ2 LYS A 40 -10.419 6.320 5.854 1.00 30.12 H new ATOM 0 HZ3 LYS A 40 -10.644 5.822 4.246 1.00 30.12 H new ATOM 644 N ASP A 41 -4.101 3.840 6.291 1.00 1.24 N ATOM 645 CA ASP A 41 -2.705 4.118 6.713 1.00 42.52 C ATOM 646 C ASP A 41 -1.919 2.802 6.920 1.00 22.30 C ATOM 647 O ASP A 41 -0.699 2.749 6.725 1.00 73.34 O ATOM 648 CB ASP A 41 -2.717 4.952 8.020 1.00 73.34 C ATOM 649 CG ASP A 41 -3.364 6.332 7.825 1.00 12.35 C ATOM 650 OD1 ASP A 41 -4.606 6.443 7.949 1.00 71.34 O ATOM 651 OD2 ASP A 41 -2.641 7.307 7.535 1.00 70.13 O ATOM 0 H ASP A 41 -4.795 4.088 6.997 1.00 1.24 H new ATOM 0 HA ASP A 41 -2.206 4.685 5.927 1.00 42.52 H new ATOM 0 HB2 ASP A 41 -3.258 4.405 8.792 1.00 73.34 H new ATOM 0 HB3 ASP A 41 -1.695 5.079 8.377 1.00 73.34 H new ATOM 656 N PHE A 42 -2.660 1.744 7.293 1.00 64.45 N ATOM 657 CA PHE A 42 -2.114 0.383 7.487 1.00 2.32 C ATOM 658 C PHE A 42 -1.571 -0.215 6.157 1.00 24.04 C ATOM 659 O PHE A 42 -0.547 -0.888 6.163 1.00 14.42 O ATOM 660 CB PHE A 42 -3.208 -0.528 8.119 1.00 41.05 C ATOM 661 CG PHE A 42 -2.850 -2.009 8.165 1.00 15.14 C ATOM 662 CD1 PHE A 42 -1.903 -2.483 9.068 1.00 4.14 C ATOM 663 CD2 PHE A 42 -3.448 -2.922 7.290 1.00 33.13 C ATOM 664 CE1 PHE A 42 -1.563 -3.816 9.091 1.00 1.22 C ATOM 665 CE2 PHE A 42 -3.106 -4.255 7.321 1.00 2.33 C ATOM 666 CZ PHE A 42 -2.166 -4.702 8.224 1.00 31.32 C ATOM 0 H PHE A 42 -3.663 1.807 7.470 1.00 64.45 H new ATOM 0 HA PHE A 42 -1.265 0.441 8.168 1.00 2.32 H new ATOM 0 HB2 PHE A 42 -3.407 -0.184 9.134 1.00 41.05 H new ATOM 0 HB3 PHE A 42 -4.133 -0.408 7.555 1.00 41.05 H new ATOM 0 HD1 PHE A 42 -1.431 -1.798 9.757 1.00 4.14 H new ATOM 0 HD2 PHE A 42 -4.187 -2.577 6.582 1.00 33.13 H new ATOM 0 HE1 PHE A 42 -0.821 -4.170 9.791 1.00 1.22 H new ATOM 0 HE2 PHE A 42 -3.574 -4.949 6.639 1.00 2.33 H new ATOM 0 HZ PHE A 42 -1.901 -5.749 8.253 1.00 31.32 H new ATOM 676 N PHE A 43 -2.266 0.034 5.027 1.00 33.01 N ATOM 677 CA PHE A 43 -1.837 -0.465 3.688 1.00 52.14 C ATOM 678 C PHE A 43 -0.533 0.208 3.207 1.00 32.20 C ATOM 679 O PHE A 43 0.276 -0.424 2.526 1.00 51.44 O ATOM 680 CB PHE A 43 -2.954 -0.266 2.630 1.00 61.21 C ATOM 681 CG PHE A 43 -4.234 -1.035 2.939 1.00 13.34 C ATOM 682 CD1 PHE A 43 -4.186 -2.395 3.260 1.00 34.32 C ATOM 683 CD2 PHE A 43 -5.476 -0.408 2.917 1.00 4.10 C ATOM 684 CE1 PHE A 43 -5.339 -3.094 3.560 1.00 65.14 C ATOM 685 CE2 PHE A 43 -6.620 -1.106 3.219 1.00 43.21 C ATOM 686 CZ PHE A 43 -6.555 -2.451 3.536 1.00 23.32 C ATOM 0 H PHE A 43 -3.129 0.578 5.008 1.00 33.01 H new ATOM 0 HA PHE A 43 -1.643 -1.532 3.802 1.00 52.14 H new ATOM 0 HB2 PHE A 43 -3.187 0.796 2.556 1.00 61.21 H new ATOM 0 HB3 PHE A 43 -2.579 -0.578 1.655 1.00 61.21 H new ATOM 0 HD1 PHE A 43 -3.235 -2.906 3.274 1.00 34.32 H new ATOM 0 HD2 PHE A 43 -5.541 0.639 2.660 1.00 4.10 H new ATOM 0 HE1 PHE A 43 -5.286 -4.143 3.813 1.00 65.14 H new ATOM 0 HE2 PHE A 43 -7.575 -0.602 3.209 1.00 43.21 H new ATOM 0 HZ PHE A 43 -7.459 -2.996 3.765 1.00 23.32 H new ATOM 696 N LEU A 44 -0.350 1.493 3.556 1.00 52.30 N ATOM 697 CA LEU A 44 0.888 2.245 3.234 1.00 55.43 C ATOM 698 C LEU A 44 2.086 1.735 4.080 1.00 42.40 C ATOM 699 O LEU A 44 3.187 1.543 3.551 1.00 74.33 O ATOM 700 CB LEU A 44 0.668 3.782 3.426 1.00 44.24 C ATOM 701 CG LEU A 44 -0.071 4.524 2.256 1.00 63.43 C ATOM 702 CD1 LEU A 44 -1.501 3.985 2.022 1.00 52.44 C ATOM 703 CD2 LEU A 44 -0.088 6.055 2.480 1.00 3.14 C ATOM 0 H LEU A 44 -1.045 2.040 4.064 1.00 52.30 H new ATOM 0 HA LEU A 44 1.129 2.071 2.185 1.00 55.43 H new ATOM 0 HB2 LEU A 44 0.100 3.936 4.343 1.00 44.24 H new ATOM 0 HB3 LEU A 44 1.640 4.253 3.571 1.00 44.24 H new ATOM 0 HG LEU A 44 0.500 4.318 1.350 1.00 63.43 H new ATOM 0 HD11 LEU A 44 -1.967 4.533 1.203 1.00 52.44 H new ATOM 0 HD12 LEU A 44 -1.454 2.926 1.770 1.00 52.44 H new ATOM 0 HD13 LEU A 44 -2.092 4.116 2.928 1.00 52.44 H new ATOM 0 HD21 LEU A 44 -0.607 6.538 1.652 1.00 3.14 H new ATOM 0 HD22 LEU A 44 -0.604 6.280 3.413 1.00 3.14 H new ATOM 0 HD23 LEU A 44 0.935 6.426 2.533 1.00 3.14 H new ATOM 715 N GLY A 45 1.845 1.500 5.388 1.00 55.13 N ATOM 716 CA GLY A 45 2.881 0.972 6.297 1.00 34.54 C ATOM 717 C GLY A 45 3.303 -0.471 5.967 1.00 63.41 C ATOM 718 O GLY A 45 4.483 -0.752 5.773 1.00 61.14 O ATOM 0 H GLY A 45 0.944 1.668 5.836 1.00 55.13 H new ATOM 0 HA2 GLY A 45 3.757 1.619 6.252 1.00 34.54 H new ATOM 0 HA3 GLY A 45 2.509 1.009 7.321 1.00 34.54 H new ATOM 722 N LEU A 46 2.309 -1.374 5.876 1.00 3.22 N ATOM 723 CA LEU A 46 2.517 -2.810 5.533 1.00 40.51 C ATOM 724 C LEU A 46 3.038 -2.982 4.079 1.00 2.15 C ATOM 725 O LEU A 46 3.801 -3.912 3.776 1.00 0.21 O ATOM 726 CB LEU A 46 1.188 -3.600 5.709 1.00 72.11 C ATOM 727 CG LEU A 46 1.278 -5.140 5.456 1.00 74.32 C ATOM 728 CD1 LEU A 46 2.216 -5.812 6.479 1.00 73.05 C ATOM 729 CD2 LEU A 46 -0.122 -5.803 5.443 1.00 51.43 C ATOM 0 H LEU A 46 1.331 -1.136 6.038 1.00 3.22 H new ATOM 0 HA LEU A 46 3.272 -3.205 6.212 1.00 40.51 H new ATOM 0 HB2 LEU A 46 0.821 -3.437 6.723 1.00 72.11 H new ATOM 0 HB3 LEU A 46 0.445 -3.181 5.030 1.00 72.11 H new ATOM 0 HG LEU A 46 1.706 -5.287 4.465 1.00 74.32 H new ATOM 0 HD11 LEU A 46 2.262 -6.883 6.282 1.00 73.05 H new ATOM 0 HD12 LEU A 46 3.215 -5.384 6.393 1.00 73.05 H new ATOM 0 HD13 LEU A 46 1.835 -5.644 7.487 1.00 73.05 H new ATOM 0 HD21 LEU A 46 -0.016 -6.873 5.264 1.00 51.43 H new ATOM 0 HD22 LEU A 46 -0.610 -5.642 6.404 1.00 51.43 H new ATOM 0 HD23 LEU A 46 -0.727 -5.361 4.651 1.00 51.43 H new ATOM 741 N GLY A 47 2.612 -2.068 3.200 1.00 22.42 N ATOM 742 CA GLY A 47 3.094 -2.015 1.812 1.00 74.52 C ATOM 743 C GLY A 47 4.577 -1.644 1.735 1.00 44.23 C ATOM 744 O GLY A 47 5.306 -2.094 0.839 1.00 54.11 O ATOM 0 H GLY A 47 1.927 -1.347 3.427 1.00 22.42 H new ATOM 0 HA2 GLY A 47 2.937 -2.983 1.336 1.00 74.52 H new ATOM 0 HA3 GLY A 47 2.508 -1.286 1.252 1.00 74.52 H new ATOM 748 N TRP A 48 5.025 -0.825 2.707 1.00 22.44 N ATOM 749 CA TRP A 48 6.440 -0.449 2.849 1.00 13.34 C ATOM 750 C TRP A 48 7.279 -1.616 3.437 1.00 63.22 C ATOM 751 O TRP A 48 8.479 -1.689 3.216 1.00 45.14 O ATOM 752 CB TRP A 48 6.585 0.823 3.720 1.00 61.54 C ATOM 753 CG TRP A 48 7.901 1.526 3.506 1.00 14.11 C ATOM 754 CD1 TRP A 48 9.062 1.366 4.207 1.00 43.25 C ATOM 755 CD2 TRP A 48 8.184 2.466 2.468 1.00 10.10 C ATOM 756 NE1 TRP A 48 10.042 2.172 3.678 1.00 5.41 N ATOM 757 CE2 TRP A 48 9.524 2.856 2.607 1.00 25.21 C ATOM 758 CE3 TRP A 48 7.418 3.016 1.438 1.00 25.33 C ATOM 759 CZ2 TRP A 48 10.120 3.775 1.746 1.00 4.30 C ATOM 760 CZ3 TRP A 48 8.006 3.924 0.586 1.00 72.10 C ATOM 761 CH2 TRP A 48 9.348 4.297 0.740 1.00 64.30 C ATOM 0 H TRP A 48 4.416 -0.409 3.412 1.00 22.44 H new ATOM 0 HA TRP A 48 6.827 -0.230 1.854 1.00 13.34 H new ATOM 0 HB2 TRP A 48 5.770 1.509 3.492 1.00 61.54 H new ATOM 0 HB3 TRP A 48 6.489 0.552 4.771 1.00 61.54 H new ATOM 0 HD1 TRP A 48 9.191 0.705 5.051 1.00 43.25 H new ATOM 0 HE1 TRP A 48 10.998 2.249 4.025 1.00 5.41 H new ATOM 0 HE3 TRP A 48 6.383 2.734 1.312 1.00 25.33 H new ATOM 0 HZ2 TRP A 48 11.153 4.066 1.867 1.00 4.30 H new ATOM 0 HZ3 TRP A 48 7.423 4.356 -0.214 1.00 72.10 H new ATOM 0 HH2 TRP A 48 9.782 5.009 0.054 1.00 64.30 H new ATOM 772 N LEU A 49 6.638 -2.513 4.193 1.00 1.12 N ATOM 773 CA LEU A 49 7.265 -3.794 4.633 1.00 2.43 C ATOM 774 C LEU A 49 7.573 -4.723 3.422 1.00 0.11 C ATOM 775 O LEU A 49 8.495 -5.539 3.484 1.00 34.11 O ATOM 776 CB LEU A 49 6.366 -4.518 5.687 1.00 35.53 C ATOM 777 CG LEU A 49 6.531 -4.076 7.180 1.00 13.35 C ATOM 778 CD1 LEU A 49 6.566 -2.568 7.309 1.00 21.53 C ATOM 779 CD2 LEU A 49 5.413 -4.652 8.073 1.00 73.50 C ATOM 0 H LEU A 49 5.681 -2.388 4.522 1.00 1.12 H new ATOM 0 HA LEU A 49 8.216 -3.554 5.108 1.00 2.43 H new ATOM 0 HB2 LEU A 49 5.324 -4.371 5.403 1.00 35.53 H new ATOM 0 HB3 LEU A 49 6.565 -5.588 5.626 1.00 35.53 H new ATOM 0 HG LEU A 49 7.485 -4.478 7.522 1.00 13.35 H new ATOM 0 HD11 LEU A 49 6.681 -2.295 8.358 1.00 21.53 H new ATOM 0 HD12 LEU A 49 7.406 -2.173 6.737 1.00 21.53 H new ATOM 0 HD13 LEU A 49 5.636 -2.148 6.925 1.00 21.53 H new ATOM 0 HD21 LEU A 49 5.563 -4.323 9.101 1.00 73.50 H new ATOM 0 HD22 LEU A 49 4.445 -4.300 7.717 1.00 73.50 H new ATOM 0 HD23 LEU A 49 5.440 -5.741 8.033 1.00 73.50 H new ATOM 791 N LEU A 50 6.758 -4.609 2.347 1.00 30.22 N ATOM 792 CA LEU A 50 7.034 -5.264 1.040 1.00 2.33 C ATOM 793 C LEU A 50 8.153 -4.517 0.263 1.00 11.30 C ATOM 794 O LEU A 50 8.929 -5.150 -0.461 1.00 61.02 O ATOM 795 CB LEU A 50 5.738 -5.377 0.188 1.00 70.21 C ATOM 796 CG LEU A 50 4.673 -6.398 0.712 1.00 70.42 C ATOM 797 CD1 LEU A 50 3.377 -6.353 -0.137 1.00 31.25 C ATOM 798 CD2 LEU A 50 5.262 -7.833 0.764 1.00 44.04 C ATOM 0 H LEU A 50 5.895 -4.065 2.357 1.00 30.22 H new ATOM 0 HA LEU A 50 7.390 -6.274 1.242 1.00 2.33 H new ATOM 0 HB2 LEU A 50 5.274 -4.392 0.131 1.00 70.21 H new ATOM 0 HB3 LEU A 50 6.015 -5.658 -0.828 1.00 70.21 H new ATOM 0 HG LEU A 50 4.405 -6.107 1.728 1.00 70.42 H new ATOM 0 HD11 LEU A 50 2.660 -7.074 0.255 1.00 31.25 H new ATOM 0 HD12 LEU A 50 2.947 -5.352 -0.092 1.00 31.25 H new ATOM 0 HD13 LEU A 50 3.611 -6.600 -1.172 1.00 31.25 H new ATOM 0 HD21 LEU A 50 4.504 -8.525 1.131 1.00 44.04 H new ATOM 0 HD22 LEU A 50 5.575 -8.134 -0.236 1.00 44.04 H new ATOM 0 HD23 LEU A 50 6.122 -7.849 1.433 1.00 44.04 H new ATOM 810 N ARG A 51 8.209 -3.169 0.410 1.00 71.13 N ATOM 811 CA ARG A 51 9.364 -2.336 -0.046 1.00 15.53 C ATOM 812 C ARG A 51 10.683 -2.820 0.609 1.00 11.24 C ATOM 813 O ARG A 51 11.724 -2.908 -0.050 1.00 20.01 O ATOM 814 CB ARG A 51 9.099 -0.825 0.285 1.00 64.45 C ATOM 815 CG ARG A 51 10.336 0.120 0.321 1.00 44.52 C ATOM 816 CD ARG A 51 10.990 0.330 -1.048 1.00 51.33 C ATOM 817 NE ARG A 51 12.168 1.201 -0.982 1.00 72.12 N ATOM 818 CZ ARG A 51 13.101 1.298 -1.904 1.00 31.35 C ATOM 819 NH1 ARG A 51 13.028 0.632 -3.026 1.00 33.30 N ATOM 820 NH2 ARG A 51 14.099 2.086 -1.700 1.00 42.23 N ATOM 0 H ARG A 51 7.463 -2.626 0.845 1.00 71.13 H new ATOM 0 HA ARG A 51 9.468 -2.444 -1.126 1.00 15.53 H new ATOM 0 HB2 ARG A 51 8.397 -0.435 -0.452 1.00 64.45 H new ATOM 0 HB3 ARG A 51 8.605 -0.773 1.255 1.00 64.45 H new ATOM 0 HG2 ARG A 51 10.032 1.087 0.721 1.00 44.52 H new ATOM 0 HG3 ARG A 51 11.076 -0.290 1.008 1.00 44.52 H new ATOM 0 HD2 ARG A 51 11.280 -0.636 -1.460 1.00 51.33 H new ATOM 0 HD3 ARG A 51 10.261 0.763 -1.733 1.00 51.33 H new ATOM 0 HE ARG A 51 12.273 1.781 -0.150 1.00 72.12 H new ATOM 0 HH11 ARG A 51 12.233 0.018 -3.204 1.00 33.30 H new ATOM 0 HH12 ARG A 51 13.766 0.726 -3.724 1.00 33.30 H new ATOM 0 HH21 ARG A 51 14.157 2.622 -0.834 1.00 42.23 H new ATOM 0 HH22 ARG A 51 14.832 2.174 -2.404 1.00 42.23 H new ATOM 834 N GLU A 52 10.614 -3.135 1.904 1.00 13.12 N ATOM 835 CA GLU A 52 11.773 -3.598 2.679 1.00 14.13 C ATOM 836 C GLU A 52 12.000 -5.127 2.505 1.00 33.42 C ATOM 837 O GLU A 52 13.091 -5.636 2.805 1.00 24.33 O ATOM 838 CB GLU A 52 11.557 -3.270 4.168 1.00 30.45 C ATOM 839 CG GLU A 52 11.391 -1.777 4.525 1.00 63.20 C ATOM 840 CD GLU A 52 11.215 -1.554 6.046 1.00 51.11 C ATOM 841 OE1 GLU A 52 10.130 -1.879 6.587 1.00 32.20 O ATOM 842 OE2 GLU A 52 12.180 -1.113 6.718 1.00 75.34 O ATOM 0 H GLU A 52 9.753 -3.077 2.448 1.00 13.12 H new ATOM 0 HA GLU A 52 12.659 -3.083 2.308 1.00 14.13 H new ATOM 0 HB2 GLU A 52 10.670 -3.804 4.510 1.00 30.45 H new ATOM 0 HB3 GLU A 52 12.403 -3.664 4.731 1.00 30.45 H new ATOM 0 HG2 GLU A 52 12.263 -1.223 4.177 1.00 63.20 H new ATOM 0 HG3 GLU A 52 10.526 -1.374 3.998 1.00 63.20 H new ATOM 849 N ASP A 53 10.928 -5.834 2.057 1.00 4.20 N ATOM 850 CA ASP A 53 10.890 -7.309 1.847 1.00 22.22 C ATOM 851 C ASP A 53 11.020 -8.092 3.194 1.00 20.44 C ATOM 852 O ASP A 53 11.202 -9.310 3.213 1.00 42.22 O ATOM 853 CB ASP A 53 11.960 -7.728 0.789 1.00 54.53 C ATOM 854 CG ASP A 53 11.632 -9.055 0.082 1.00 10.14 C ATOM 855 OD1 ASP A 53 10.793 -9.044 -0.835 1.00 1.02 O ATOM 856 OD2 ASP A 53 12.196 -10.108 0.444 1.00 14.52 O ATOM 0 H ASP A 53 10.043 -5.383 1.826 1.00 4.20 H new ATOM 0 HA ASP A 53 9.913 -7.581 1.447 1.00 22.22 H new ATOM 0 HB2 ASP A 53 12.050 -6.939 0.042 1.00 54.53 H new ATOM 0 HB3 ASP A 53 12.930 -7.816 1.279 1.00 54.53 H new ATOM 861 N LYS A 54 10.822 -7.370 4.314 1.00 11.33 N ATOM 862 CA LYS A 54 10.971 -7.908 5.692 1.00 2.33 C ATOM 863 C LYS A 54 9.728 -8.704 6.167 1.00 42.13 C ATOM 864 O LYS A 54 9.695 -9.149 7.321 1.00 22.42 O ATOM 865 CB LYS A 54 11.282 -6.732 6.678 1.00 31.22 C ATOM 866 CG LYS A 54 12.711 -6.128 6.534 1.00 74.21 C ATOM 867 CD LYS A 54 12.830 -4.666 7.055 1.00 51.42 C ATOM 868 CE LYS A 54 12.676 -4.479 8.566 1.00 34.42 C ATOM 869 NZ LYS A 54 12.457 -3.044 8.915 1.00 0.41 N ATOM 0 H LYS A 54 10.551 -6.387 4.294 1.00 11.33 H new ATOM 0 HA LYS A 54 11.800 -8.615 5.681 1.00 2.33 H new ATOM 0 HB2 LYS A 54 10.549 -5.940 6.522 1.00 31.22 H new ATOM 0 HB3 LYS A 54 11.153 -7.088 7.700 1.00 31.22 H new ATOM 0 HG2 LYS A 54 13.417 -6.756 7.077 1.00 74.21 H new ATOM 0 HG3 LYS A 54 13.003 -6.155 5.484 1.00 74.21 H new ATOM 0 HD2 LYS A 54 13.802 -4.273 6.757 1.00 51.42 H new ATOM 0 HD3 LYS A 54 12.074 -4.060 6.555 1.00 51.42 H new ATOM 0 HE2 LYS A 54 11.837 -5.075 8.925 1.00 34.42 H new ATOM 0 HE3 LYS A 54 13.568 -4.847 9.073 1.00 34.42 H new ATOM 0 HZ1 LYS A 54 13.201 -2.728 9.570 1.00 0.41 H new ATOM 0 HZ2 LYS A 54 12.490 -2.467 8.050 1.00 0.41 H new ATOM 0 HZ3 LYS A 54 11.528 -2.935 9.369 1.00 0.41 H new ATOM 883 N VAL A 55 8.703 -8.887 5.290 1.00 31.14 N ATOM 884 CA VAL A 55 7.483 -9.682 5.628 1.00 20.41 C ATOM 885 C VAL A 55 7.102 -10.747 4.570 1.00 13.42 C ATOM 886 O VAL A 55 7.381 -10.606 3.376 1.00 43.44 O ATOM 887 CB VAL A 55 6.220 -8.779 5.878 1.00 52.03 C ATOM 888 CG1 VAL A 55 6.402 -7.925 7.147 1.00 21.13 C ATOM 889 CG2 VAL A 55 5.871 -7.912 4.637 1.00 35.33 C ATOM 0 H VAL A 55 8.695 -8.498 4.347 1.00 31.14 H new ATOM 0 HA VAL A 55 7.768 -10.194 6.547 1.00 20.41 H new ATOM 0 HB VAL A 55 5.367 -9.438 6.042 1.00 52.03 H new ATOM 0 HG11 VAL A 55 5.517 -7.308 7.301 1.00 21.13 H new ATOM 0 HG12 VAL A 55 6.543 -8.578 8.008 1.00 21.13 H new ATOM 0 HG13 VAL A 55 7.276 -7.283 7.032 1.00 21.13 H new ATOM 0 HG21 VAL A 55 4.993 -7.304 4.853 1.00 35.33 H new ATOM 0 HG22 VAL A 55 6.713 -7.262 4.399 1.00 35.33 H new ATOM 0 HG23 VAL A 55 5.662 -8.561 3.787 1.00 35.33 H new ATOM 899 N VAL A 56 6.469 -11.827 5.071 1.00 43.33 N ATOM 900 CA VAL A 56 5.765 -12.842 4.270 1.00 24.10 C ATOM 901 C VAL A 56 4.235 -12.570 4.321 1.00 64.32 C ATOM 902 O VAL A 56 3.665 -12.498 5.409 1.00 45.14 O ATOM 903 CB VAL A 56 6.042 -14.299 4.821 1.00 1.50 C ATOM 904 CG1 VAL A 56 5.549 -15.384 3.827 1.00 1.12 C ATOM 905 CG2 VAL A 56 7.535 -14.499 5.185 1.00 30.33 C ATOM 0 H VAL A 56 6.434 -12.020 6.072 1.00 43.33 H new ATOM 0 HA VAL A 56 6.131 -12.779 3.245 1.00 24.10 H new ATOM 0 HB VAL A 56 5.468 -14.412 5.741 1.00 1.50 H new ATOM 0 HG11 VAL A 56 5.755 -16.373 4.236 1.00 1.12 H new ATOM 0 HG12 VAL A 56 4.476 -15.272 3.669 1.00 1.12 H new ATOM 0 HG13 VAL A 56 6.069 -15.270 2.876 1.00 1.12 H new ATOM 0 HG21 VAL A 56 7.686 -15.511 5.560 1.00 30.33 H new ATOM 0 HG22 VAL A 56 8.150 -14.345 4.298 1.00 30.33 H new ATOM 0 HG23 VAL A 56 7.821 -13.781 5.954 1.00 30.33 H new ATOM 915 N THR A 57 3.578 -12.428 3.157 1.00 61.22 N ATOM 916 CA THR A 57 2.116 -12.142 3.071 1.00 44.22 C ATOM 917 C THR A 57 1.310 -13.386 2.616 1.00 50.03 C ATOM 918 O THR A 57 1.782 -14.181 1.799 1.00 71.25 O ATOM 919 CB THR A 57 1.825 -10.960 2.083 1.00 44.03 C ATOM 920 OG1 THR A 57 2.346 -11.259 0.769 1.00 25.33 O ATOM 921 CG2 THR A 57 2.417 -9.629 2.585 1.00 5.23 C ATOM 0 H THR A 57 4.033 -12.506 2.248 1.00 61.22 H new ATOM 0 HA THR A 57 1.798 -11.864 4.076 1.00 44.22 H new ATOM 0 HB THR A 57 0.742 -10.847 2.029 1.00 44.03 H new ATOM 0 HG1 THR A 57 2.660 -12.187 0.745 1.00 25.33 H new ATOM 0 HG21 THR A 57 2.192 -8.838 1.870 1.00 5.23 H new ATOM 0 HG22 THR A 57 1.981 -9.379 3.552 1.00 5.23 H new ATOM 0 HG23 THR A 57 3.498 -9.727 2.688 1.00 5.23 H new ATOM 929 N SER A 58 0.078 -13.509 3.142 1.00 44.21 N ATOM 930 CA SER A 58 -0.859 -14.631 2.857 1.00 43.11 C ATOM 931 C SER A 58 -2.320 -14.189 3.138 1.00 32.14 C ATOM 932 O SER A 58 -2.554 -13.091 3.656 1.00 3.01 O ATOM 933 CB SER A 58 -0.498 -15.876 3.715 1.00 25.53 C ATOM 934 OG SER A 58 -1.303 -17.005 3.383 1.00 11.20 O ATOM 0 H SER A 58 -0.309 -12.823 3.790 1.00 44.21 H new ATOM 0 HA SER A 58 -0.768 -14.901 1.805 1.00 43.11 H new ATOM 0 HB2 SER A 58 0.553 -16.125 3.569 1.00 25.53 H new ATOM 0 HB3 SER A 58 -0.625 -15.638 4.771 1.00 25.53 H new ATOM 0 HG SER A 58 -1.044 -17.767 3.942 1.00 11.20 H new ATOM 940 N GLU A 59 -3.302 -15.029 2.766 1.00 13.53 N ATOM 941 CA GLU A 59 -4.738 -14.769 3.038 1.00 74.43 C ATOM 942 C GLU A 59 -5.312 -15.877 3.945 1.00 45.51 C ATOM 943 O GLU A 59 -5.245 -17.063 3.606 1.00 62.12 O ATOM 944 CB GLU A 59 -5.549 -14.695 1.712 1.00 1.52 C ATOM 945 CG GLU A 59 -7.059 -14.397 1.898 1.00 2.43 C ATOM 946 CD GLU A 59 -7.860 -14.481 0.583 1.00 53.21 C ATOM 947 OE1 GLU A 59 -8.285 -15.595 0.204 1.00 51.21 O ATOM 948 OE2 GLU A 59 -8.049 -13.448 -0.086 1.00 70.32 O ATOM 0 H GLU A 59 -3.130 -15.904 2.271 1.00 13.53 H new ATOM 0 HA GLU A 59 -4.822 -13.808 3.546 1.00 74.43 H new ATOM 0 HB2 GLU A 59 -5.115 -13.922 1.078 1.00 1.52 H new ATOM 0 HB3 GLU A 59 -5.441 -15.641 1.181 1.00 1.52 H new ATOM 0 HG2 GLU A 59 -7.476 -15.103 2.616 1.00 2.43 H new ATOM 0 HG3 GLU A 59 -7.177 -13.401 2.325 1.00 2.43 H new ATOM 955 N VAL A 60 -5.859 -15.480 5.105 1.00 20.02 N ATOM 956 CA VAL A 60 -6.566 -16.388 6.035 1.00 50.01 C ATOM 957 C VAL A 60 -8.026 -15.910 6.233 1.00 45.44 C ATOM 958 O VAL A 60 -8.274 -14.827 6.779 1.00 10.44 O ATOM 959 CB VAL A 60 -5.806 -16.504 7.418 1.00 5.45 C ATOM 960 CG1 VAL A 60 -6.679 -17.149 8.533 1.00 24.11 C ATOM 961 CG2 VAL A 60 -4.486 -17.300 7.236 1.00 62.12 C ATOM 0 H VAL A 60 -5.825 -14.514 5.430 1.00 20.02 H new ATOM 0 HA VAL A 60 -6.584 -17.386 5.596 1.00 50.01 H new ATOM 0 HB VAL A 60 -5.579 -15.489 7.744 1.00 5.45 H new ATOM 0 HG11 VAL A 60 -6.106 -17.203 9.459 1.00 24.11 H new ATOM 0 HG12 VAL A 60 -7.571 -16.543 8.693 1.00 24.11 H new ATOM 0 HG13 VAL A 60 -6.973 -18.154 8.229 1.00 24.11 H new ATOM 0 HG21 VAL A 60 -3.971 -17.374 8.194 1.00 62.12 H new ATOM 0 HG22 VAL A 60 -4.712 -18.301 6.867 1.00 62.12 H new ATOM 0 HG23 VAL A 60 -3.847 -16.785 6.519 1.00 62.12 H new ATOM 971 N GLU A 61 -8.970 -16.748 5.744 1.00 41.50 N ATOM 972 CA GLU A 61 -10.436 -16.609 5.945 1.00 54.21 C ATOM 973 C GLU A 61 -10.992 -15.212 5.537 1.00 54.34 C ATOM 974 O GLU A 61 -11.862 -14.639 6.212 1.00 74.35 O ATOM 975 CB GLU A 61 -10.788 -16.993 7.412 1.00 61.11 C ATOM 976 CG GLU A 61 -10.192 -18.352 7.845 1.00 43.25 C ATOM 977 CD GLU A 61 -10.623 -18.807 9.244 1.00 75.25 C ATOM 978 OE1 GLU A 61 -10.186 -18.189 10.234 1.00 5.04 O ATOM 979 OE2 GLU A 61 -11.383 -19.796 9.357 1.00 32.21 O ATOM 0 H GLU A 61 -8.728 -17.564 5.182 1.00 41.50 H new ATOM 0 HA GLU A 61 -10.937 -17.300 5.268 1.00 54.21 H new ATOM 0 HB2 GLU A 61 -10.424 -16.214 8.082 1.00 61.11 H new ATOM 0 HB3 GLU A 61 -11.872 -17.027 7.522 1.00 61.11 H new ATOM 0 HG2 GLU A 61 -10.485 -19.112 7.121 1.00 43.25 H new ATOM 0 HG3 GLU A 61 -9.104 -18.286 7.815 1.00 43.25 H new ATOM 986 N GLY A 62 -10.484 -14.695 4.401 1.00 72.04 N ATOM 987 CA GLY A 62 -10.937 -13.414 3.829 1.00 34.43 C ATOM 988 C GLY A 62 -10.206 -12.172 4.359 1.00 40.42 C ATOM 989 O GLY A 62 -10.513 -11.051 3.940 1.00 62.04 O ATOM 0 H GLY A 62 -9.752 -15.152 3.857 1.00 72.04 H new ATOM 0 HA2 GLY A 62 -10.816 -13.454 2.746 1.00 34.43 H new ATOM 0 HA3 GLY A 62 -12.003 -13.302 4.027 1.00 34.43 H new ATOM 993 N GLU A 63 -9.241 -12.359 5.279 1.00 14.05 N ATOM 994 CA GLU A 63 -8.418 -11.254 5.835 1.00 31.35 C ATOM 995 C GLU A 63 -6.926 -11.451 5.489 1.00 73.51 C ATOM 996 O GLU A 63 -6.471 -12.575 5.242 1.00 62.31 O ATOM 997 CB GLU A 63 -8.613 -11.130 7.373 1.00 14.04 C ATOM 998 CG GLU A 63 -10.028 -10.686 7.802 1.00 43.33 C ATOM 999 CD GLU A 63 -10.132 -10.424 9.310 1.00 25.50 C ATOM 1000 OE1 GLU A 63 -9.723 -9.330 9.762 1.00 11.23 O ATOM 1001 OE2 GLU A 63 -10.623 -11.303 10.053 1.00 2.03 O ATOM 0 H GLU A 63 -9.006 -13.275 5.661 1.00 14.05 H new ATOM 0 HA GLU A 63 -8.755 -10.324 5.376 1.00 31.35 H new ATOM 0 HB2 GLU A 63 -8.392 -12.093 7.834 1.00 14.04 H new ATOM 0 HB3 GLU A 63 -7.887 -10.416 7.763 1.00 14.04 H new ATOM 0 HG2 GLU A 63 -10.301 -9.780 7.260 1.00 43.33 H new ATOM 0 HG3 GLU A 63 -10.747 -11.455 7.520 1.00 43.33 H new ATOM 1008 N ILE A 64 -6.181 -10.333 5.468 1.00 63.20 N ATOM 1009 CA ILE A 64 -4.737 -10.319 5.162 1.00 23.23 C ATOM 1010 C ILE A 64 -3.923 -10.838 6.374 1.00 63.12 C ATOM 1011 O ILE A 64 -3.843 -10.169 7.410 1.00 73.31 O ATOM 1012 CB ILE A 64 -4.261 -8.865 4.775 1.00 33.30 C ATOM 1013 CG1 ILE A 64 -5.118 -8.300 3.591 1.00 50.43 C ATOM 1014 CG2 ILE A 64 -2.742 -8.833 4.434 1.00 52.31 C ATOM 1015 CD1 ILE A 64 -4.819 -6.852 3.213 1.00 32.34 C ATOM 0 H ILE A 64 -6.564 -9.408 5.664 1.00 63.20 H new ATOM 0 HA ILE A 64 -4.564 -10.978 4.311 1.00 23.23 H new ATOM 0 HB ILE A 64 -4.412 -8.222 5.642 1.00 33.30 H new ATOM 0 HG12 ILE A 64 -4.959 -8.929 2.715 1.00 50.43 H new ATOM 0 HG13 ILE A 64 -6.173 -8.381 3.855 1.00 50.43 H new ATOM 0 HG21 ILE A 64 -2.449 -7.816 4.172 1.00 52.31 H new ATOM 0 HG22 ILE A 64 -2.168 -9.165 5.299 1.00 52.31 H new ATOM 0 HG23 ILE A 64 -2.544 -9.496 3.592 1.00 52.31 H new ATOM 0 HD11 ILE A 64 -5.461 -6.552 2.385 1.00 32.34 H new ATOM 0 HD12 ILE A 64 -5.007 -6.206 4.071 1.00 32.34 H new ATOM 0 HD13 ILE A 64 -3.775 -6.762 2.913 1.00 32.34 H new ATOM 1027 N PHE A 65 -3.347 -12.042 6.233 1.00 33.03 N ATOM 1028 CA PHE A 65 -2.444 -12.636 7.239 1.00 51.23 C ATOM 1029 C PHE A 65 -0.984 -12.380 6.831 1.00 34.42 C ATOM 1030 O PHE A 65 -0.550 -12.803 5.763 1.00 30.10 O ATOM 1031 CB PHE A 65 -2.700 -14.158 7.374 1.00 5.21 C ATOM 1032 CG PHE A 65 -1.786 -14.856 8.393 1.00 22.33 C ATOM 1033 CD1 PHE A 65 -1.993 -14.698 9.761 1.00 74.33 C ATOM 1034 CD2 PHE A 65 -0.711 -15.653 7.983 1.00 63.44 C ATOM 1035 CE1 PHE A 65 -1.163 -15.306 10.683 1.00 42.21 C ATOM 1036 CE2 PHE A 65 0.121 -16.254 8.908 1.00 63.11 C ATOM 1037 CZ PHE A 65 -0.108 -16.084 10.257 1.00 21.15 C ATOM 0 H PHE A 65 -3.493 -12.635 5.416 1.00 33.03 H new ATOM 0 HA PHE A 65 -2.638 -12.171 8.205 1.00 51.23 H new ATOM 0 HB2 PHE A 65 -3.739 -14.317 7.664 1.00 5.21 H new ATOM 0 HB3 PHE A 65 -2.565 -14.627 6.399 1.00 5.21 H new ATOM 0 HD1 PHE A 65 -2.816 -14.090 10.107 1.00 74.33 H new ATOM 0 HD2 PHE A 65 -0.529 -15.800 6.929 1.00 63.44 H new ATOM 0 HE1 PHE A 65 -1.341 -15.171 11.740 1.00 42.21 H new ATOM 0 HE2 PHE A 65 0.952 -16.858 8.574 1.00 63.11 H new ATOM 0 HZ PHE A 65 0.539 -16.560 10.979 1.00 21.15 H new ATOM 1047 N VAL A 66 -0.223 -11.716 7.692 1.00 52.41 N ATOM 1048 CA VAL A 66 1.175 -11.356 7.403 1.00 51.41 C ATOM 1049 C VAL A 66 2.089 -11.600 8.632 1.00 63.00 C ATOM 1050 O VAL A 66 1.678 -11.432 9.783 1.00 35.51 O ATOM 1051 CB VAL A 66 1.251 -9.868 6.893 1.00 35.42 C ATOM 1052 CG1 VAL A 66 0.676 -8.880 7.936 1.00 25.44 C ATOM 1053 CG2 VAL A 66 2.688 -9.482 6.471 1.00 22.45 C ATOM 0 H VAL A 66 -0.548 -11.409 8.609 1.00 52.41 H new ATOM 0 HA VAL A 66 1.547 -12.004 6.610 1.00 51.41 H new ATOM 0 HB VAL A 66 0.626 -9.798 6.003 1.00 35.42 H new ATOM 0 HG11 VAL A 66 0.745 -7.863 7.550 1.00 25.44 H new ATOM 0 HG12 VAL A 66 -0.368 -9.124 8.131 1.00 25.44 H new ATOM 0 HG13 VAL A 66 1.246 -8.956 8.862 1.00 25.44 H new ATOM 0 HG21 VAL A 66 2.700 -8.448 6.125 1.00 22.45 H new ATOM 0 HG22 VAL A 66 3.358 -9.587 7.324 1.00 22.45 H new ATOM 0 HG23 VAL A 66 3.019 -10.138 5.666 1.00 22.45 H new ATOM 1063 N LYS A 67 3.331 -12.029 8.358 1.00 34.10 N ATOM 1064 CA LYS A 67 4.361 -12.285 9.387 1.00 4.33 C ATOM 1065 C LYS A 67 5.721 -11.797 8.877 1.00 55.14 C ATOM 1066 O LYS A 67 5.813 -11.329 7.754 1.00 63.11 O ATOM 1067 CB LYS A 67 4.401 -13.791 9.730 1.00 2.43 C ATOM 1068 CG LYS A 67 4.730 -14.729 8.551 1.00 72.32 C ATOM 1069 CD LYS A 67 4.606 -16.209 8.964 1.00 65.44 C ATOM 1070 CE LYS A 67 4.971 -17.192 7.843 1.00 70.35 C ATOM 1071 NZ LYS A 67 4.789 -18.594 8.291 1.00 33.51 N ATOM 0 H LYS A 67 3.655 -12.211 7.408 1.00 34.10 H new ATOM 0 HA LYS A 67 4.116 -11.739 10.298 1.00 4.33 H new ATOM 0 HB2 LYS A 67 5.141 -13.948 10.515 1.00 2.43 H new ATOM 0 HB3 LYS A 67 3.434 -14.078 10.142 1.00 2.43 H new ATOM 0 HG2 LYS A 67 4.055 -14.523 7.720 1.00 72.32 H new ATOM 0 HG3 LYS A 67 5.742 -14.531 8.197 1.00 72.32 H new ATOM 0 HD2 LYS A 67 5.252 -16.393 9.822 1.00 65.44 H new ATOM 0 HD3 LYS A 67 3.583 -16.403 9.287 1.00 65.44 H new ATOM 0 HE2 LYS A 67 4.348 -17.001 6.969 1.00 70.35 H new ATOM 0 HE3 LYS A 67 6.005 -17.035 7.538 1.00 70.35 H new ATOM 0 HZ1 LYS A 67 5.042 -19.241 7.517 1.00 33.51 H new ATOM 0 HZ2 LYS A 67 5.402 -18.779 9.111 1.00 33.51 H new ATOM 0 HZ3 LYS A 67 3.796 -18.746 8.560 1.00 33.51 H new ATOM 1085 N LEU A 68 6.770 -11.887 9.699 1.00 50.33 N ATOM 1086 CA LEU A 68 8.130 -11.480 9.286 1.00 52.24 C ATOM 1087 C LEU A 68 8.875 -12.618 8.562 1.00 51.15 C ATOM 1088 O LEU A 68 8.557 -13.804 8.728 1.00 43.54 O ATOM 1089 CB LEU A 68 8.963 -11.010 10.506 1.00 72.54 C ATOM 1090 CG LEU A 68 8.368 -9.829 11.337 1.00 45.02 C ATOM 1091 CD1 LEU A 68 9.371 -9.346 12.398 1.00 73.13 C ATOM 1092 CD2 LEU A 68 7.905 -8.661 10.435 1.00 60.53 C ATOM 0 H LEU A 68 6.711 -12.237 10.655 1.00 50.33 H new ATOM 0 HA LEU A 68 8.012 -10.650 8.589 1.00 52.24 H new ATOM 0 HB2 LEU A 68 9.103 -11.861 11.173 1.00 72.54 H new ATOM 0 HB3 LEU A 68 9.951 -10.716 10.153 1.00 72.54 H new ATOM 0 HG LEU A 68 7.483 -10.206 11.850 1.00 45.02 H new ATOM 0 HD11 LEU A 68 8.934 -8.523 12.964 1.00 73.13 H new ATOM 0 HD12 LEU A 68 9.608 -10.167 13.075 1.00 73.13 H new ATOM 0 HD13 LEU A 68 10.283 -9.005 11.908 1.00 73.13 H new ATOM 0 HD21 LEU A 68 7.498 -7.862 11.055 1.00 60.53 H new ATOM 0 HD22 LEU A 68 8.754 -8.282 9.866 1.00 60.53 H new ATOM 0 HD23 LEU A 68 7.136 -9.015 9.748 1.00 60.53 H new ATOM 1104 N VAL A 69 9.872 -12.229 7.749 1.00 62.02 N ATOM 1105 CA VAL A 69 10.842 -13.172 7.161 1.00 73.42 C ATOM 1106 C VAL A 69 11.877 -13.562 8.253 1.00 31.23 C ATOM 1107 O VAL A 69 12.855 -12.839 8.502 1.00 52.52 O ATOM 1108 CB VAL A 69 11.549 -12.560 5.889 1.00 73.42 C ATOM 1109 CG1 VAL A 69 12.547 -13.559 5.251 1.00 20.52 C ATOM 1110 CG2 VAL A 69 10.500 -12.097 4.849 1.00 65.34 C ATOM 0 H VAL A 69 10.029 -11.257 7.481 1.00 62.02 H new ATOM 0 HA VAL A 69 10.317 -14.065 6.821 1.00 73.42 H new ATOM 0 HB VAL A 69 12.119 -11.691 6.218 1.00 73.42 H new ATOM 0 HG11 VAL A 69 13.013 -13.101 4.379 1.00 20.52 H new ATOM 0 HG12 VAL A 69 13.316 -13.820 5.978 1.00 20.52 H new ATOM 0 HG13 VAL A 69 12.015 -14.460 4.947 1.00 20.52 H new ATOM 0 HG21 VAL A 69 11.009 -11.679 3.981 1.00 65.34 H new ATOM 0 HG22 VAL A 69 9.894 -12.949 4.539 1.00 65.34 H new ATOM 0 HG23 VAL A 69 9.857 -11.337 5.294 1.00 65.34 H new ATOM 1302 N MET B 3 0.606 -14.720 -3.651 1.00 24.32 N ATOM 1303 CA MET B 3 1.387 -13.786 -2.824 1.00 14.10 C ATOM 1304 C MET B 3 0.866 -12.347 -3.052 1.00 13.14 C ATOM 1305 O MET B 3 0.790 -11.883 -4.197 1.00 42.45 O ATOM 1306 CB MET B 3 2.893 -13.901 -3.186 1.00 50.01 C ATOM 1307 CG MET B 3 3.856 -13.111 -2.296 1.00 41.31 C ATOM 1308 SD MET B 3 3.853 -13.654 -0.573 1.00 61.23 S ATOM 1309 CE MET B 3 5.196 -12.675 0.112 1.00 23.31 C ATOM 0 HA MET B 3 1.272 -14.034 -1.769 1.00 14.10 H new ATOM 0 HB2 MET B 3 3.176 -14.953 -3.151 1.00 50.01 H new ATOM 0 HB3 MET B 3 3.026 -13.570 -4.216 1.00 50.01 H new ATOM 0 HG2 MET B 3 4.866 -13.202 -2.696 1.00 41.31 H new ATOM 0 HG3 MET B 3 3.592 -12.054 -2.336 1.00 41.31 H new ATOM 0 HE1 MET B 3 5.547 -13.135 1.035 1.00 23.31 H new ATOM 0 HE2 MET B 3 6.015 -12.629 -0.605 1.00 23.31 H new ATOM 0 HE3 MET B 3 4.841 -11.666 0.322 1.00 23.31 H new ATOM 1319 N LEU B 4 0.489 -11.660 -1.956 1.00 51.42 N ATOM 1320 CA LEU B 4 -0.039 -10.265 -2.008 1.00 51.15 C ATOM 1321 C LEU B 4 1.013 -9.275 -2.581 1.00 72.24 C ATOM 1322 O LEU B 4 0.670 -8.166 -2.991 1.00 13.34 O ATOM 1323 CB LEU B 4 -0.541 -9.791 -0.604 1.00 34.20 C ATOM 1324 CG LEU B 4 -1.824 -10.479 -0.012 1.00 3.23 C ATOM 1325 CD1 LEU B 4 -3.042 -10.306 -0.934 1.00 3.10 C ATOM 1326 CD2 LEU B 4 -1.592 -11.964 0.325 1.00 53.10 C ATOM 0 H LEU B 4 0.538 -12.045 -1.013 1.00 51.42 H new ATOM 0 HA LEU B 4 -0.893 -10.271 -2.686 1.00 51.15 H new ATOM 0 HB2 LEU B 4 0.273 -9.932 0.107 1.00 34.20 H new ATOM 0 HB3 LEU B 4 -0.732 -8.719 -0.661 1.00 34.20 H new ATOM 0 HG LEU B 4 -2.040 -9.967 0.926 1.00 3.23 H new ATOM 0 HD11 LEU B 4 -3.908 -10.796 -0.489 1.00 3.10 H new ATOM 0 HD12 LEU B 4 -3.252 -9.244 -1.064 1.00 3.10 H new ATOM 0 HD13 LEU B 4 -2.830 -10.755 -1.904 1.00 3.10 H new ATOM 0 HD21 LEU B 4 -2.508 -12.393 0.731 1.00 53.10 H new ATOM 0 HD22 LEU B 4 -1.309 -12.502 -0.579 1.00 53.10 H new ATOM 0 HD23 LEU B 4 -0.794 -12.049 1.063 1.00 53.10 H new ATOM 1338 N LYS B 5 2.290 -9.705 -2.591 1.00 63.21 N ATOM 1339 CA LYS B 5 3.394 -9.004 -3.281 1.00 70.25 C ATOM 1340 C LYS B 5 3.149 -8.955 -4.818 1.00 61.24 C ATOM 1341 O LYS B 5 3.262 -7.897 -5.450 1.00 52.22 O ATOM 1342 CB LYS B 5 4.726 -9.742 -2.971 1.00 63.24 C ATOM 1343 CG LYS B 5 6.004 -9.067 -3.504 1.00 61.11 C ATOM 1344 CD LYS B 5 7.296 -9.879 -3.243 1.00 5.24 C ATOM 1345 CE LYS B 5 7.596 -10.078 -1.746 1.00 54.23 C ATOM 1346 NZ LYS B 5 8.801 -10.920 -1.526 1.00 72.21 N ATOM 0 H LYS B 5 2.588 -10.557 -2.116 1.00 63.21 H new ATOM 0 HA LYS B 5 3.446 -7.976 -2.922 1.00 70.25 H new ATOM 0 HB2 LYS B 5 4.818 -9.849 -1.890 1.00 63.24 H new ATOM 0 HB3 LYS B 5 4.668 -10.748 -3.387 1.00 63.24 H new ATOM 0 HG2 LYS B 5 5.898 -8.906 -4.577 1.00 61.11 H new ATOM 0 HG3 LYS B 5 6.104 -8.085 -3.042 1.00 61.11 H new ATOM 0 HD2 LYS B 5 7.207 -10.854 -3.722 1.00 5.24 H new ATOM 0 HD3 LYS B 5 8.138 -9.369 -3.711 1.00 5.24 H new ATOM 0 HE2 LYS B 5 7.741 -9.107 -1.273 1.00 54.23 H new ATOM 0 HE3 LYS B 5 6.736 -10.542 -1.263 1.00 54.23 H new ATOM 0 HZ1 LYS B 5 8.598 -11.633 -0.797 1.00 72.21 H new ATOM 0 HZ2 LYS B 5 9.059 -11.396 -2.414 1.00 72.21 H new ATOM 0 HZ3 LYS B 5 9.591 -10.320 -1.213 1.00 72.21 H new ATOM 1360 N GLU B 6 2.800 -10.122 -5.397 1.00 4.31 N ATOM 1361 CA GLU B 6 2.560 -10.266 -6.855 1.00 50.50 C ATOM 1362 C GLU B 6 1.259 -9.538 -7.269 1.00 14.53 C ATOM 1363 O GLU B 6 1.193 -8.911 -8.330 1.00 61.43 O ATOM 1364 CB GLU B 6 2.475 -11.766 -7.272 1.00 23.44 C ATOM 1365 CG GLU B 6 3.573 -12.681 -6.687 1.00 13.20 C ATOM 1366 CD GLU B 6 5.000 -12.137 -6.849 1.00 10.52 C ATOM 1367 OE1 GLU B 6 5.527 -12.133 -7.981 1.00 43.53 O ATOM 1368 OE2 GLU B 6 5.607 -11.718 -5.841 1.00 22.21 O ATOM 0 H GLU B 6 2.676 -10.989 -4.874 1.00 4.31 H new ATOM 0 HA GLU B 6 3.406 -9.811 -7.370 1.00 50.50 H new ATOM 0 HB2 GLU B 6 1.503 -12.155 -6.969 1.00 23.44 H new ATOM 0 HB3 GLU B 6 2.518 -11.826 -8.360 1.00 23.44 H new ATOM 0 HG2 GLU B 6 3.374 -12.836 -5.627 1.00 13.20 H new ATOM 0 HG3 GLU B 6 3.512 -13.657 -7.169 1.00 13.20 H new ATOM 1375 N LYS B 7 0.231 -9.664 -6.410 1.00 74.35 N ATOM 1376 CA LYS B 7 -1.073 -8.973 -6.564 1.00 41.22 C ATOM 1377 C LYS B 7 -0.900 -7.438 -6.642 1.00 12.05 C ATOM 1378 O LYS B 7 -1.457 -6.775 -7.528 1.00 74.21 O ATOM 1379 CB LYS B 7 -1.981 -9.324 -5.360 1.00 34.33 C ATOM 1380 CG LYS B 7 -3.341 -8.588 -5.342 1.00 13.10 C ATOM 1381 CD LYS B 7 -4.019 -8.639 -3.966 1.00 13.41 C ATOM 1382 CE LYS B 7 -5.408 -7.989 -3.964 1.00 21.12 C ATOM 1383 NZ LYS B 7 -6.341 -8.667 -4.899 1.00 52.20 N ATOM 0 H LYS B 7 0.278 -10.254 -5.579 1.00 74.35 H new ATOM 0 HA LYS B 7 -1.527 -9.310 -7.496 1.00 41.22 H new ATOM 0 HB2 LYS B 7 -2.164 -10.398 -5.361 1.00 34.33 H new ATOM 0 HB3 LYS B 7 -1.446 -9.093 -4.439 1.00 34.33 H new ATOM 0 HG2 LYS B 7 -3.191 -7.548 -5.631 1.00 13.10 H new ATOM 0 HG3 LYS B 7 -4.002 -9.034 -6.086 1.00 13.10 H new ATOM 0 HD2 LYS B 7 -4.108 -9.678 -3.648 1.00 13.41 H new ATOM 0 HD3 LYS B 7 -3.386 -8.136 -3.235 1.00 13.41 H new ATOM 0 HE2 LYS B 7 -5.820 -8.018 -2.955 1.00 21.12 H new ATOM 0 HE3 LYS B 7 -5.317 -6.939 -4.241 1.00 21.12 H new ATOM 0 HZ1 LYS B 7 -7.311 -8.336 -4.723 1.00 52.20 H new ATOM 0 HZ2 LYS B 7 -6.072 -8.446 -5.879 1.00 52.20 H new ATOM 0 HZ3 LYS B 7 -6.294 -9.695 -4.751 1.00 52.20 H new ATOM 1397 N ALA B 8 -0.140 -6.900 -5.671 1.00 44.31 N ATOM 1398 CA ALA B 8 0.226 -5.471 -5.617 1.00 5.43 C ATOM 1399 C ALA B 8 0.913 -5.019 -6.928 1.00 41.43 C ATOM 1400 O ALA B 8 0.663 -3.921 -7.416 1.00 34.24 O ATOM 1401 CB ALA B 8 1.131 -5.218 -4.403 1.00 33.20 C ATOM 0 H ALA B 8 0.240 -7.446 -4.898 1.00 44.31 H new ATOM 0 HA ALA B 8 -0.683 -4.879 -5.509 1.00 5.43 H new ATOM 0 HB1 ALA B 8 1.401 -4.163 -4.364 1.00 33.20 H new ATOM 0 HB2 ALA B 8 0.601 -5.491 -3.491 1.00 33.20 H new ATOM 0 HB3 ALA B 8 2.035 -5.821 -4.491 1.00 33.20 H new ATOM 1407 N GLY B 9 1.738 -5.923 -7.498 1.00 74.42 N ATOM 1408 CA GLY B 9 2.404 -5.701 -8.794 1.00 62.40 C ATOM 1409 C GLY B 9 1.456 -5.724 -10.005 1.00 23.52 C ATOM 1410 O GLY B 9 1.664 -4.989 -10.982 1.00 63.20 O ATOM 0 H GLY B 9 1.959 -6.823 -7.072 1.00 74.42 H new ATOM 0 HA2 GLY B 9 2.916 -4.739 -8.766 1.00 62.40 H new ATOM 0 HA3 GLY B 9 3.169 -6.465 -8.932 1.00 62.40 H new ATOM 1414 N ALA B 10 0.415 -6.575 -9.937 1.00 74.52 N ATOM 1415 CA ALA B 10 -0.603 -6.706 -11.007 1.00 61.32 C ATOM 1416 C ALA B 10 -1.461 -5.420 -11.146 1.00 43.40 C ATOM 1417 O ALA B 10 -1.668 -4.906 -12.254 1.00 2.04 O ATOM 1418 CB ALA B 10 -1.494 -7.928 -10.733 1.00 32.34 C ATOM 0 H ALA B 10 0.252 -7.192 -9.141 1.00 74.52 H new ATOM 0 HA ALA B 10 -0.082 -6.848 -11.954 1.00 61.32 H new ATOM 0 HB1 ALA B 10 -2.240 -8.019 -11.523 1.00 32.34 H new ATOM 0 HB2 ALA B 10 -0.880 -8.828 -10.709 1.00 32.34 H new ATOM 0 HB3 ALA B 10 -1.995 -7.805 -9.773 1.00 32.34 H new ATOM 1424 N LEU B 11 -1.937 -4.911 -9.995 1.00 63.25 N ATOM 1425 CA LEU B 11 -2.705 -3.641 -9.910 1.00 40.11 C ATOM 1426 C LEU B 11 -1.811 -2.422 -10.248 1.00 14.43 C ATOM 1427 O LEU B 11 -2.269 -1.442 -10.849 1.00 2.34 O ATOM 1428 CB LEU B 11 -3.302 -3.495 -8.486 1.00 22.24 C ATOM 1429 CG LEU B 11 -4.240 -4.659 -8.024 1.00 11.02 C ATOM 1430 CD1 LEU B 11 -4.614 -4.515 -6.535 1.00 41.00 C ATOM 1431 CD2 LEU B 11 -5.504 -4.755 -8.916 1.00 73.10 C ATOM 0 H LEU B 11 -1.803 -5.365 -9.092 1.00 63.25 H new ATOM 0 HA LEU B 11 -3.512 -3.671 -10.642 1.00 40.11 H new ATOM 0 HB2 LEU B 11 -2.481 -3.410 -7.774 1.00 22.24 H new ATOM 0 HB3 LEU B 11 -3.862 -2.561 -8.440 1.00 22.24 H new ATOM 0 HG LEU B 11 -3.688 -5.592 -8.138 1.00 11.02 H new ATOM 0 HD11 LEU B 11 -5.266 -5.338 -6.242 1.00 41.00 H new ATOM 0 HD12 LEU B 11 -3.708 -4.537 -5.929 1.00 41.00 H new ATOM 0 HD13 LEU B 11 -5.132 -3.569 -6.380 1.00 41.00 H new ATOM 0 HD21 LEU B 11 -6.134 -5.574 -8.568 1.00 73.10 H new ATOM 0 HD22 LEU B 11 -6.061 -3.820 -8.860 1.00 73.10 H new ATOM 0 HD23 LEU B 11 -5.207 -4.939 -9.949 1.00 73.10 H new ATOM 1443 N ALA B 12 -0.530 -2.525 -9.853 1.00 25.22 N ATOM 1444 CA ALA B 12 0.503 -1.491 -10.085 1.00 21.15 C ATOM 1445 C ALA B 12 0.712 -1.160 -11.569 1.00 30.14 C ATOM 1446 O ALA B 12 0.806 0.019 -11.937 1.00 11.11 O ATOM 1447 CB ALA B 12 1.831 -1.953 -9.491 1.00 12.43 C ATOM 0 H ALA B 12 -0.174 -3.341 -9.355 1.00 25.22 H new ATOM 0 HA ALA B 12 0.147 -0.583 -9.598 1.00 21.15 H new ATOM 0 HB1 ALA B 12 2.591 -1.191 -9.662 1.00 12.43 H new ATOM 0 HB2 ALA B 12 1.714 -2.114 -8.419 1.00 12.43 H new ATOM 0 HB3 ALA B 12 2.138 -2.885 -9.966 1.00 12.43 H new ATOM 1453 N GLY B 13 0.829 -2.218 -12.400 1.00 64.12 N ATOM 1454 CA GLY B 13 1.047 -2.077 -13.851 1.00 21.22 C ATOM 1455 C GLY B 13 0.013 -1.182 -14.542 1.00 22.12 C ATOM 1456 O GLY B 13 0.342 -0.427 -15.452 1.00 43.14 O ATOM 0 H GLY B 13 0.775 -3.186 -12.084 1.00 64.12 H new ATOM 0 HA2 GLY B 13 2.042 -1.667 -14.022 1.00 21.22 H new ATOM 0 HA3 GLY B 13 1.025 -3.065 -14.311 1.00 21.22 H new ATOM 1460 N GLN B 14 -1.233 -1.254 -14.050 1.00 74.52 N ATOM 1461 CA GLN B 14 -2.354 -0.426 -14.532 1.00 3.30 C ATOM 1462 C GLN B 14 -2.178 1.061 -14.117 1.00 44.13 C ATOM 1463 O GLN B 14 -2.266 1.967 -14.956 1.00 70.44 O ATOM 1464 CB GLN B 14 -3.690 -0.984 -13.964 1.00 1.14 C ATOM 1465 CG GLN B 14 -3.894 -2.496 -14.176 1.00 34.20 C ATOM 1466 CD GLN B 14 -5.268 -2.980 -13.718 1.00 34.04 C ATOM 1467 OE1 GLN B 14 -6.222 -2.987 -14.486 1.00 54.43 O ATOM 1468 NE2 GLN B 14 -5.386 -3.382 -12.467 1.00 35.05 N ATOM 0 H GLN B 14 -1.495 -1.893 -13.300 1.00 74.52 H new ATOM 0 HA GLN B 14 -2.370 -0.468 -15.621 1.00 3.30 H new ATOM 0 HB2 GLN B 14 -3.733 -0.771 -12.896 1.00 1.14 H new ATOM 0 HB3 GLN B 14 -4.519 -0.450 -14.429 1.00 1.14 H new ATOM 0 HG2 GLN B 14 -3.766 -2.730 -15.233 1.00 34.20 H new ATOM 0 HG3 GLN B 14 -3.122 -3.041 -13.633 1.00 34.20 H new ATOM 0 HE21 GLN B 14 -4.576 -3.366 -11.848 1.00 35.05 H new ATOM 0 HE22 GLN B 14 -6.288 -3.709 -12.119 1.00 35.05 H new ATOM 1477 N ILE B 15 -1.923 1.290 -12.807 1.00 52.50 N ATOM 1478 CA ILE B 15 -1.837 2.652 -12.206 1.00 31.34 C ATOM 1479 C ILE B 15 -0.663 3.480 -12.794 1.00 0.52 C ATOM 1480 O ILE B 15 -0.809 4.680 -13.057 1.00 75.54 O ATOM 1481 CB ILE B 15 -1.718 2.573 -10.633 1.00 20.24 C ATOM 1482 CG1 ILE B 15 -2.942 1.800 -10.035 1.00 52.14 C ATOM 1483 CG2 ILE B 15 -1.584 3.985 -9.991 1.00 64.24 C ATOM 1484 CD1 ILE B 15 -2.929 1.638 -8.521 1.00 64.04 C ATOM 0 H ILE B 15 -1.770 0.539 -12.133 1.00 52.50 H new ATOM 0 HA ILE B 15 -2.763 3.167 -12.462 1.00 31.34 H new ATOM 0 HB ILE B 15 -0.807 2.025 -10.394 1.00 20.24 H new ATOM 0 HG12 ILE B 15 -3.856 2.321 -10.321 1.00 52.14 H new ATOM 0 HG13 ILE B 15 -2.984 0.810 -10.490 1.00 52.14 H new ATOM 0 HG21 ILE B 15 -1.505 3.886 -8.908 1.00 64.24 H new ATOM 0 HG22 ILE B 15 -0.691 4.477 -10.377 1.00 64.24 H new ATOM 0 HG23 ILE B 15 -2.462 4.582 -10.238 1.00 64.24 H new ATOM 0 HD11 ILE B 15 -3.817 1.090 -8.206 1.00 64.04 H new ATOM 0 HD12 ILE B 15 -2.038 1.087 -8.222 1.00 64.04 H new ATOM 0 HD13 ILE B 15 -2.923 2.621 -8.050 1.00 64.04 H new ATOM 1496 N TRP B 16 0.486 2.816 -13.004 1.00 24.41 N ATOM 1497 CA TRP B 16 1.677 3.431 -13.635 1.00 44.43 C ATOM 1498 C TRP B 16 1.333 3.951 -15.058 1.00 53.14 C ATOM 1499 O TRP B 16 1.626 5.103 -15.401 1.00 33.45 O ATOM 1500 CB TRP B 16 2.846 2.399 -13.699 1.00 50.52 C ATOM 1501 CG TRP B 16 4.186 2.995 -14.115 1.00 50.11 C ATOM 1502 CD1 TRP B 16 5.193 3.407 -13.285 1.00 42.04 C ATOM 1503 CD2 TRP B 16 4.651 3.251 -15.457 1.00 51.44 C ATOM 1504 NE1 TRP B 16 6.238 3.908 -14.021 1.00 52.44 N ATOM 1505 CE2 TRP B 16 5.927 3.826 -15.354 1.00 41.53 C ATOM 1506 CE3 TRP B 16 4.106 3.051 -16.733 1.00 0.12 C ATOM 1507 CZ2 TRP B 16 6.665 4.206 -16.473 1.00 24.11 C ATOM 1508 CZ3 TRP B 16 4.831 3.430 -17.840 1.00 71.55 C ATOM 1509 CH2 TRP B 16 6.097 4.003 -17.706 1.00 53.32 C ATOM 0 H TRP B 16 0.620 1.839 -12.743 1.00 24.41 H new ATOM 0 HA TRP B 16 1.993 4.279 -13.028 1.00 44.43 H new ATOM 0 HB2 TRP B 16 2.957 1.932 -12.720 1.00 50.52 H new ATOM 0 HB3 TRP B 16 2.579 1.609 -14.401 1.00 50.52 H new ATOM 0 HD1 TRP B 16 5.169 3.347 -12.207 1.00 42.04 H new ATOM 0 HE1 TRP B 16 7.106 4.281 -13.638 1.00 52.44 H new ATOM 0 HE3 TRP B 16 3.129 2.605 -16.846 1.00 0.12 H new ATOM 0 HZ2 TRP B 16 7.647 4.644 -16.374 1.00 24.11 H new ATOM 0 HZ3 TRP B 16 4.415 3.282 -18.826 1.00 71.55 H new ATOM 0 HH2 TRP B 16 6.642 4.293 -18.592 1.00 53.32 H new ATOM 1520 N GLU B 17 0.703 3.071 -15.871 1.00 35.13 N ATOM 1521 CA GLU B 17 0.296 3.389 -17.265 1.00 4.34 C ATOM 1522 C GLU B 17 -0.789 4.495 -17.328 1.00 71.30 C ATOM 1523 O GLU B 17 -0.898 5.201 -18.336 1.00 21.11 O ATOM 1524 CB GLU B 17 -0.171 2.109 -18.008 1.00 75.21 C ATOM 1525 CG GLU B 17 0.940 1.060 -18.217 1.00 23.41 C ATOM 1526 CD GLU B 17 0.490 -0.122 -19.097 1.00 43.25 C ATOM 1527 OE1 GLU B 17 0.579 -0.006 -20.341 1.00 22.23 O ATOM 1528 OE2 GLU B 17 0.039 -1.157 -18.560 1.00 61.03 O ATOM 0 H GLU B 17 0.462 2.123 -15.583 1.00 35.13 H new ATOM 0 HA GLU B 17 1.177 3.783 -17.772 1.00 4.34 H new ATOM 0 HB2 GLU B 17 -0.985 1.652 -17.446 1.00 75.21 H new ATOM 0 HB3 GLU B 17 -0.575 2.393 -18.980 1.00 75.21 H new ATOM 0 HG2 GLU B 17 1.804 1.540 -18.676 1.00 23.41 H new ATOM 0 HG3 GLU B 17 1.263 0.682 -17.247 1.00 23.41 H new ATOM 1535 N ALA B 18 -1.580 4.630 -16.249 1.00 1.00 N ATOM 1536 CA ALA B 18 -2.545 5.743 -16.083 1.00 62.15 C ATOM 1537 C ALA B 18 -1.808 7.103 -15.923 1.00 14.12 C ATOM 1538 O ALA B 18 -2.186 8.107 -16.538 1.00 1.44 O ATOM 1539 CB ALA B 18 -3.457 5.470 -14.870 1.00 4.40 C ATOM 0 H ALA B 18 -1.572 3.975 -15.467 1.00 1.00 H new ATOM 0 HA ALA B 18 -3.161 5.805 -16.980 1.00 62.15 H new ATOM 0 HB1 ALA B 18 -4.164 6.292 -14.754 1.00 4.40 H new ATOM 0 HB2 ALA B 18 -4.004 4.541 -15.028 1.00 4.40 H new ATOM 0 HB3 ALA B 18 -2.849 5.384 -13.969 1.00 4.40 H new ATOM 1545 N LEU B 19 -0.741 7.104 -15.098 1.00 34.41 N ATOM 1546 CA LEU B 19 0.092 8.307 -14.831 1.00 24.10 C ATOM 1547 C LEU B 19 1.028 8.640 -16.031 1.00 61.12 C ATOM 1548 O LEU B 19 1.503 9.779 -16.164 1.00 73.45 O ATOM 1549 CB LEU B 19 0.930 8.075 -13.546 1.00 24.23 C ATOM 1550 CG LEU B 19 0.122 7.754 -12.247 1.00 23.14 C ATOM 1551 CD1 LEU B 19 1.059 7.430 -11.062 1.00 13.11 C ATOM 1552 CD2 LEU B 19 -0.845 8.904 -11.896 1.00 32.15 C ATOM 0 H LEU B 19 -0.428 6.273 -14.595 1.00 34.41 H new ATOM 0 HA LEU B 19 -0.573 9.159 -14.692 1.00 24.10 H new ATOM 0 HB2 LEU B 19 1.622 7.254 -13.731 1.00 24.23 H new ATOM 0 HB3 LEU B 19 1.533 8.965 -13.364 1.00 24.23 H new ATOM 0 HG LEU B 19 -0.475 6.863 -12.443 1.00 23.14 H new ATOM 0 HD11 LEU B 19 0.463 7.212 -10.176 1.00 13.11 H new ATOM 0 HD12 LEU B 19 1.672 6.563 -11.309 1.00 13.11 H new ATOM 0 HD13 LEU B 19 1.704 8.286 -10.864 1.00 13.11 H new ATOM 0 HD21 LEU B 19 -1.394 8.654 -10.988 1.00 32.15 H new ATOM 0 HD22 LEU B 19 -0.277 9.821 -11.736 1.00 32.15 H new ATOM 0 HD23 LEU B 19 -1.548 9.051 -12.716 1.00 32.15 H new ATOM 1564 N ASN B 20 1.282 7.629 -16.890 1.00 14.30 N ATOM 1565 CA ASN B 20 2.121 7.764 -18.102 1.00 21.14 C ATOM 1566 C ASN B 20 1.418 8.656 -19.164 1.00 2.11 C ATOM 1567 O ASN B 20 0.256 8.424 -19.510 1.00 14.43 O ATOM 1568 CB ASN B 20 2.443 6.345 -18.662 1.00 2.02 C ATOM 1569 CG ASN B 20 3.182 6.347 -20.004 1.00 51.25 C ATOM 1570 OD1 ASN B 20 2.571 6.371 -21.063 1.00 72.43 O ATOM 1571 ND2 ASN B 20 4.496 6.302 -19.972 1.00 64.04 N ATOM 0 H ASN B 20 0.908 6.689 -16.761 1.00 14.30 H new ATOM 0 HA ASN B 20 3.058 8.257 -17.844 1.00 21.14 H new ATOM 0 HB2 ASN B 20 3.045 5.807 -17.930 1.00 2.02 H new ATOM 0 HB3 ASN B 20 1.510 5.792 -18.775 1.00 2.02 H new ATOM 0 HD21 ASN B 20 5.027 6.286 -20.843 1.00 64.04 H new ATOM 0 HD22 ASN B 20 4.984 6.283 -19.077 1.00 64.04 H new ATOM 1578 N GLY B 21 2.136 9.691 -19.648 1.00 34.54 N ATOM 1579 CA GLY B 21 1.611 10.620 -20.664 1.00 1.25 C ATOM 1580 C GLY B 21 0.802 11.791 -20.083 1.00 41.11 C ATOM 1581 O GLY B 21 0.253 12.603 -20.838 1.00 5.21 O ATOM 0 H GLY B 21 3.087 9.903 -19.347 1.00 34.54 H new ATOM 0 HA2 GLY B 21 2.445 11.019 -21.242 1.00 1.25 H new ATOM 0 HA3 GLY B 21 0.980 10.065 -21.358 1.00 1.25 H new ATOM 1585 N THR B 22 0.729 11.883 -18.741 1.00 51.14 N ATOM 1586 CA THR B 22 -0.012 12.959 -18.026 1.00 45.53 C ATOM 1587 C THR B 22 0.902 13.636 -16.965 1.00 53.01 C ATOM 1588 O THR B 22 1.905 13.051 -16.544 1.00 10.31 O ATOM 1589 CB THR B 22 -1.306 12.376 -17.335 1.00 53.32 C ATOM 1590 OG1 THR B 22 -2.054 11.586 -18.278 1.00 42.32 O ATOM 1591 CG2 THR B 22 -2.230 13.482 -16.778 1.00 2.14 C ATOM 0 H THR B 22 1.180 11.216 -18.115 1.00 51.14 H new ATOM 0 HA THR B 22 -0.315 13.709 -18.757 1.00 45.53 H new ATOM 0 HB THR B 22 -0.966 11.764 -16.500 1.00 53.32 H new ATOM 0 HG1 THR B 22 -2.854 11.226 -17.841 1.00 42.32 H new ATOM 0 HG21 THR B 22 -3.104 13.026 -16.314 1.00 2.14 H new ATOM 0 HG22 THR B 22 -1.689 14.068 -16.035 1.00 2.14 H new ATOM 0 HG23 THR B 22 -2.549 14.133 -17.592 1.00 2.14 H new ATOM 1599 N GLU B 23 0.524 14.853 -16.502 1.00 23.53 N ATOM 1600 CA GLU B 23 1.244 15.607 -15.435 1.00 32.42 C ATOM 1601 C GLU B 23 0.897 15.084 -14.003 1.00 51.15 C ATOM 1602 O GLU B 23 1.081 15.797 -13.001 1.00 13.33 O ATOM 1603 CB GLU B 23 0.878 17.113 -15.555 1.00 4.34 C ATOM 1604 CG GLU B 23 1.275 17.770 -16.891 1.00 11.20 C ATOM 1605 CD GLU B 23 2.798 17.816 -17.116 1.00 30.51 C ATOM 1606 OE1 GLU B 23 3.474 18.659 -16.494 1.00 63.41 O ATOM 1607 OE2 GLU B 23 3.327 17.005 -17.910 1.00 2.14 O ATOM 0 H GLU B 23 -0.295 15.346 -16.858 1.00 23.53 H new ATOM 0 HA GLU B 23 2.315 15.460 -15.576 1.00 32.42 H new ATOM 0 HB2 GLU B 23 -0.198 17.223 -15.418 1.00 4.34 H new ATOM 0 HB3 GLU B 23 1.360 17.656 -14.742 1.00 4.34 H new ATOM 0 HG2 GLU B 23 0.810 17.222 -17.710 1.00 11.20 H new ATOM 0 HG3 GLU B 23 0.879 18.785 -16.921 1.00 11.20 H new ATOM 1614 N GLY B 24 0.443 13.818 -13.919 1.00 42.03 N ATOM 1615 CA GLY B 24 -0.056 13.228 -12.680 1.00 55.50 C ATOM 1616 C GLY B 24 -1.576 13.190 -12.621 1.00 42.32 C ATOM 1617 O GLY B 24 -2.246 14.050 -13.198 1.00 45.00 O ATOM 0 H GLY B 24 0.416 13.181 -14.716 1.00 42.03 H new ATOM 0 HA2 GLY B 24 0.333 12.215 -12.582 1.00 55.50 H new ATOM 0 HA3 GLY B 24 0.323 13.798 -11.832 1.00 55.50 H new ATOM 1621 N LEU B 25 -2.123 12.197 -11.914 1.00 54.25 N ATOM 1622 CA LEU B 25 -3.582 12.031 -11.731 1.00 64.52 C ATOM 1623 C LEU B 25 -3.935 12.005 -10.232 1.00 30.31 C ATOM 1624 O LEU B 25 -3.099 11.655 -9.387 1.00 15.41 O ATOM 1625 CB LEU B 25 -4.086 10.719 -12.401 1.00 52.33 C ATOM 1626 CG LEU B 25 -3.944 10.598 -13.952 1.00 71.53 C ATOM 1627 CD1 LEU B 25 -4.466 9.229 -14.445 1.00 23.33 C ATOM 1628 CD2 LEU B 25 -4.667 11.753 -14.681 1.00 31.51 C ATOM 0 H LEU B 25 -1.570 11.478 -11.447 1.00 54.25 H new ATOM 0 HA LEU B 25 -4.074 12.879 -12.207 1.00 64.52 H new ATOM 0 HB2 LEU B 25 -3.551 9.884 -11.949 1.00 52.33 H new ATOM 0 HB3 LEU B 25 -5.140 10.597 -12.150 1.00 52.33 H new ATOM 0 HG LEU B 25 -2.883 10.670 -14.191 1.00 71.53 H new ATOM 0 HD11 LEU B 25 -4.357 9.167 -15.528 1.00 23.33 H new ATOM 0 HD12 LEU B 25 -3.891 8.430 -13.976 1.00 23.33 H new ATOM 0 HD13 LEU B 25 -5.518 9.123 -14.179 1.00 23.33 H new ATOM 0 HD21 LEU B 25 -4.547 11.635 -15.758 1.00 31.51 H new ATOM 0 HD22 LEU B 25 -5.728 11.734 -14.430 1.00 31.51 H new ATOM 0 HD23 LEU B 25 -4.237 12.705 -14.370 1.00 31.51 H new ATOM 1640 N THR B 26 -5.182 12.373 -9.919 1.00 55.22 N ATOM 1641 CA THR B 26 -5.763 12.210 -8.570 1.00 3.03 C ATOM 1642 C THR B 26 -6.311 10.775 -8.411 1.00 74.23 C ATOM 1643 O THR B 26 -6.464 10.055 -9.403 1.00 43.12 O ATOM 1644 CB THR B 26 -6.928 13.222 -8.322 1.00 25.10 C ATOM 1645 OG1 THR B 26 -8.006 12.970 -9.249 1.00 3.35 O ATOM 1646 CG2 THR B 26 -6.457 14.685 -8.458 1.00 41.32 C ATOM 0 H THR B 26 -5.823 12.794 -10.591 1.00 55.22 H new ATOM 0 HA THR B 26 -4.974 12.401 -7.843 1.00 3.03 H new ATOM 0 HB THR B 26 -7.278 13.077 -7.300 1.00 25.10 H new ATOM 0 HG1 THR B 26 -8.733 13.607 -9.086 1.00 3.35 H new ATOM 0 HG21 THR B 26 -7.297 15.356 -8.278 1.00 41.32 H new ATOM 0 HG22 THR B 26 -5.671 14.884 -7.729 1.00 41.32 H new ATOM 0 HG23 THR B 26 -6.069 14.850 -9.463 1.00 41.32 H new ATOM 1654 N GLN B 27 -6.632 10.374 -7.166 1.00 10.32 N ATOM 1655 CA GLN B 27 -7.218 9.038 -6.875 1.00 43.13 C ATOM 1656 C GLN B 27 -8.546 8.808 -7.661 1.00 71.45 C ATOM 1657 O GLN B 27 -8.880 7.678 -8.020 1.00 0.15 O ATOM 1658 CB GLN B 27 -7.424 8.876 -5.340 1.00 43.25 C ATOM 1659 CG GLN B 27 -8.473 9.822 -4.714 1.00 23.34 C ATOM 1660 CD GLN B 27 -8.484 9.783 -3.183 1.00 65.43 C ATOM 1661 OE1 GLN B 27 -7.842 10.592 -2.525 1.00 62.51 O ATOM 1662 NE2 GLN B 27 -9.155 8.806 -2.611 1.00 63.32 N ATOM 0 H GLN B 27 -6.497 10.954 -6.338 1.00 10.32 H new ATOM 0 HA GLN B 27 -6.520 8.272 -7.214 1.00 43.13 H new ATOM 0 HB2 GLN B 27 -7.719 7.847 -5.136 1.00 43.25 H new ATOM 0 HB3 GLN B 27 -6.468 9.039 -4.842 1.00 43.25 H new ATOM 0 HG2 GLN B 27 -8.275 10.842 -5.043 1.00 23.34 H new ATOM 0 HG3 GLN B 27 -9.462 9.553 -5.085 1.00 23.34 H new ATOM 0 HE21 GLN B 27 -9.682 8.146 -3.183 1.00 63.32 H new ATOM 0 HE22 GLN B 27 -9.148 8.709 -1.596 1.00 63.32 H new ATOM 1671 N LYS B 28 -9.272 9.914 -7.920 1.00 52.32 N ATOM 1672 CA LYS B 28 -10.497 9.935 -8.763 1.00 32.41 C ATOM 1673 C LYS B 28 -10.203 9.483 -10.220 1.00 35.34 C ATOM 1674 O LYS B 28 -10.848 8.572 -10.751 1.00 62.42 O ATOM 1675 CB LYS B 28 -11.083 11.378 -8.786 1.00 3.32 C ATOM 1676 CG LYS B 28 -11.282 12.021 -7.393 1.00 12.01 C ATOM 1677 CD LYS B 28 -12.365 11.320 -6.538 1.00 41.31 C ATOM 1678 CE LYS B 28 -13.792 11.550 -7.070 1.00 61.32 C ATOM 1679 NZ LYS B 28 -14.807 10.930 -6.193 1.00 11.51 N ATOM 0 H LYS B 28 -9.026 10.831 -7.548 1.00 52.32 H new ATOM 0 HA LYS B 28 -11.213 9.237 -8.329 1.00 32.41 H new ATOM 0 HB2 LYS B 28 -10.421 12.014 -9.373 1.00 3.32 H new ATOM 0 HB3 LYS B 28 -12.043 11.357 -9.301 1.00 3.32 H new ATOM 0 HG2 LYS B 28 -10.335 12.000 -6.854 1.00 12.01 H new ATOM 0 HG3 LYS B 28 -11.553 13.069 -7.521 1.00 12.01 H new ATOM 0 HD2 LYS B 28 -12.162 10.250 -6.510 1.00 41.31 H new ATOM 0 HD3 LYS B 28 -12.302 11.684 -5.512 1.00 41.31 H new ATOM 0 HE2 LYS B 28 -13.983 12.620 -7.149 1.00 61.32 H new ATOM 0 HE3 LYS B 28 -13.877 11.136 -8.075 1.00 61.32 H new ATOM 0 HZ1 LYS B 28 -15.755 11.105 -6.582 1.00 11.51 H new ATOM 0 HZ2 LYS B 28 -14.639 9.905 -6.138 1.00 11.51 H new ATOM 0 HZ3 LYS B 28 -14.742 11.343 -5.241 1.00 11.51 H new ATOM 1693 N GLN B 29 -9.201 10.140 -10.830 1.00 20.44 N ATOM 1694 CA GLN B 29 -8.821 9.944 -12.252 1.00 70.52 C ATOM 1695 C GLN B 29 -8.161 8.573 -12.498 1.00 73.02 C ATOM 1696 O GLN B 29 -8.405 7.935 -13.529 1.00 42.54 O ATOM 1697 CB GLN B 29 -7.868 11.084 -12.688 1.00 45.12 C ATOM 1698 CG GLN B 29 -8.531 12.472 -12.769 1.00 64.01 C ATOM 1699 CD GLN B 29 -7.533 13.613 -13.013 1.00 63.54 C ATOM 1700 OE1 GLN B 29 -6.413 13.591 -12.520 1.00 33.40 O ATOM 1701 NE2 GLN B 29 -7.919 14.597 -13.801 1.00 23.54 N ATOM 0 H GLN B 29 -8.623 10.830 -10.351 1.00 20.44 H new ATOM 0 HA GLN B 29 -9.732 9.969 -12.850 1.00 70.52 H new ATOM 0 HB2 GLN B 29 -7.035 11.133 -11.986 1.00 45.12 H new ATOM 0 HB3 GLN B 29 -7.449 10.838 -13.664 1.00 45.12 H new ATOM 0 HG2 GLN B 29 -9.269 12.467 -13.571 1.00 64.01 H new ATOM 0 HG3 GLN B 29 -9.070 12.663 -11.841 1.00 64.01 H new ATOM 0 HE21 GLN B 29 -8.858 14.593 -14.200 1.00 23.54 H new ATOM 0 HE22 GLN B 29 -7.279 15.363 -14.012 1.00 23.54 H new ATOM 1710 N ILE B 30 -7.324 8.140 -11.539 1.00 10.14 N ATOM 1711 CA ILE B 30 -6.615 6.841 -11.600 1.00 64.30 C ATOM 1712 C ILE B 30 -7.618 5.667 -11.645 1.00 61.22 C ATOM 1713 O ILE B 30 -7.474 4.768 -12.474 1.00 54.54 O ATOM 1714 CB ILE B 30 -5.620 6.687 -10.382 1.00 33.02 C ATOM 1715 CG1 ILE B 30 -4.481 7.755 -10.494 1.00 32.03 C ATOM 1716 CG2 ILE B 30 -5.039 5.251 -10.276 1.00 14.01 C ATOM 1717 CD1 ILE B 30 -3.523 7.838 -9.316 1.00 73.44 C ATOM 0 H ILE B 30 -7.117 8.678 -10.698 1.00 10.14 H new ATOM 0 HA ILE B 30 -6.030 6.818 -12.519 1.00 64.30 H new ATOM 0 HB ILE B 30 -6.180 6.859 -9.463 1.00 33.02 H new ATOM 0 HG12 ILE B 30 -3.902 7.546 -11.393 1.00 32.03 H new ATOM 0 HG13 ILE B 30 -4.941 8.734 -10.632 1.00 32.03 H new ATOM 0 HG21 ILE B 30 -4.361 5.195 -9.424 1.00 14.01 H new ATOM 0 HG22 ILE B 30 -5.853 4.538 -10.140 1.00 14.01 H new ATOM 0 HG23 ILE B 30 -4.495 5.010 -11.189 1.00 14.01 H new ATOM 0 HD11 ILE B 30 -2.778 8.611 -9.506 1.00 73.44 H new ATOM 0 HD12 ILE B 30 -4.079 8.084 -8.411 1.00 73.44 H new ATOM 0 HD13 ILE B 30 -3.024 6.878 -9.185 1.00 73.44 H new ATOM 1729 N LYS B 31 -8.649 5.720 -10.774 1.00 74.15 N ATOM 1730 CA LYS B 31 -9.718 4.688 -10.728 1.00 41.45 C ATOM 1731 C LYS B 31 -10.415 4.504 -12.092 1.00 2.22 C ATOM 1732 O LYS B 31 -10.712 3.383 -12.479 1.00 54.13 O ATOM 1733 CB LYS B 31 -10.783 5.029 -9.654 1.00 72.42 C ATOM 1734 CG LYS B 31 -10.336 4.787 -8.201 1.00 50.23 C ATOM 1735 CD LYS B 31 -11.462 5.106 -7.191 1.00 62.34 C ATOM 1736 CE LYS B 31 -11.108 4.710 -5.754 1.00 31.41 C ATOM 1737 NZ LYS B 31 -12.239 4.948 -4.823 1.00 4.31 N ATOM 0 H LYS B 31 -8.767 6.467 -10.090 1.00 74.15 H new ATOM 0 HA LYS B 31 -9.224 3.752 -10.466 1.00 41.45 H new ATOM 0 HB2 LYS B 31 -11.066 6.076 -9.763 1.00 72.42 H new ATOM 0 HB3 LYS B 31 -11.677 4.436 -9.848 1.00 72.42 H new ATOM 0 HG2 LYS B 31 -10.027 3.748 -8.084 1.00 50.23 H new ATOM 0 HG3 LYS B 31 -9.465 5.405 -7.981 1.00 50.23 H new ATOM 0 HD2 LYS B 31 -11.681 6.173 -7.224 1.00 62.34 H new ATOM 0 HD3 LYS B 31 -12.371 4.585 -7.492 1.00 62.34 H new ATOM 0 HE2 LYS B 31 -10.829 3.657 -5.725 1.00 31.41 H new ATOM 0 HE3 LYS B 31 -10.239 5.279 -5.424 1.00 31.41 H new ATOM 0 HZ1 LYS B 31 -12.189 4.270 -4.036 1.00 4.31 H new ATOM 0 HZ2 LYS B 31 -12.183 5.917 -4.449 1.00 4.31 H new ATOM 0 HZ3 LYS B 31 -13.138 4.824 -5.330 1.00 4.31 H new ATOM 1751 N LYS B 32 -10.694 5.614 -12.791 1.00 64.35 N ATOM 1752 CA LYS B 32 -11.353 5.578 -14.121 1.00 70.34 C ATOM 1753 C LYS B 32 -10.420 5.026 -15.225 1.00 11.04 C ATOM 1754 O LYS B 32 -10.807 4.121 -15.976 1.00 50.42 O ATOM 1755 CB LYS B 32 -11.889 6.984 -14.496 1.00 61.20 C ATOM 1756 CG LYS B 32 -12.993 7.493 -13.545 1.00 64.02 C ATOM 1757 CD LYS B 32 -14.224 6.547 -13.517 1.00 62.51 C ATOM 1758 CE LYS B 32 -15.260 6.941 -12.455 1.00 2.45 C ATOM 1759 NZ LYS B 32 -15.839 8.284 -12.699 1.00 31.45 N ATOM 0 H LYS B 32 -10.476 6.555 -12.463 1.00 64.35 H new ATOM 0 HA LYS B 32 -12.195 4.889 -14.050 1.00 70.34 H new ATOM 0 HB2 LYS B 32 -11.061 7.693 -14.492 1.00 61.20 H new ATOM 0 HB3 LYS B 32 -12.280 6.956 -15.513 1.00 61.20 H new ATOM 0 HG2 LYS B 32 -12.587 7.589 -12.538 1.00 64.02 H new ATOM 0 HG3 LYS B 32 -13.309 8.488 -13.857 1.00 64.02 H new ATOM 0 HD2 LYS B 32 -14.699 6.549 -14.498 1.00 62.51 H new ATOM 0 HD3 LYS B 32 -13.888 5.528 -13.328 1.00 62.51 H new ATOM 0 HE2 LYS B 32 -16.060 6.201 -12.440 1.00 2.45 H new ATOM 0 HE3 LYS B 32 -14.792 6.924 -11.471 1.00 2.45 H new ATOM 0 HZ1 LYS B 32 -16.532 8.503 -11.955 1.00 31.45 H new ATOM 0 HZ2 LYS B 32 -15.081 8.996 -12.687 1.00 31.45 H new ATOM 0 HZ3 LYS B 32 -16.310 8.296 -13.626 1.00 31.45 H new ATOM 1773 N ALA B 33 -9.192 5.570 -15.295 1.00 21.53 N ATOM 1774 CA ALA B 33 -8.187 5.201 -16.332 1.00 71.45 C ATOM 1775 C ALA B 33 -7.770 3.704 -16.258 1.00 41.00 C ATOM 1776 O ALA B 33 -7.368 3.111 -17.264 1.00 41.23 O ATOM 1777 CB ALA B 33 -6.955 6.117 -16.200 1.00 15.24 C ATOM 0 H ALA B 33 -8.860 6.278 -14.640 1.00 21.53 H new ATOM 0 HA ALA B 33 -8.650 5.343 -17.308 1.00 71.45 H new ATOM 0 HB1 ALA B 33 -6.219 5.848 -16.958 1.00 15.24 H new ATOM 0 HB2 ALA B 33 -7.257 7.155 -16.339 1.00 15.24 H new ATOM 0 HB3 ALA B 33 -6.516 5.996 -15.209 1.00 15.24 H new ATOM 1783 N THR B 34 -7.863 3.119 -15.052 1.00 43.35 N ATOM 1784 CA THR B 34 -7.521 1.694 -14.790 1.00 1.51 C ATOM 1785 C THR B 34 -8.776 0.798 -14.637 1.00 53.20 C ATOM 1786 O THR B 34 -8.679 -0.430 -14.753 1.00 61.10 O ATOM 1787 CB THR B 34 -6.684 1.580 -13.480 1.00 2.22 C ATOM 1788 OG1 THR B 34 -7.484 2.017 -12.362 1.00 45.41 O ATOM 1789 CG2 THR B 34 -5.402 2.428 -13.541 1.00 53.22 C ATOM 0 H THR B 34 -8.179 3.617 -14.220 1.00 43.35 H new ATOM 0 HA THR B 34 -6.952 1.348 -15.653 1.00 1.51 H new ATOM 0 HB THR B 34 -6.393 0.536 -13.362 1.00 2.22 H new ATOM 0 HG1 THR B 34 -7.427 2.992 -12.280 1.00 45.41 H new ATOM 0 HG21 THR B 34 -4.849 2.319 -12.608 1.00 53.22 H new ATOM 0 HG22 THR B 34 -4.782 2.091 -14.372 1.00 53.22 H new ATOM 0 HG23 THR B 34 -5.665 3.476 -13.687 1.00 53.22 H new ATOM 1797 N LYS B 35 -9.929 1.437 -14.339 1.00 22.11 N ATOM 1798 CA LYS B 35 -11.217 0.761 -14.013 1.00 50.34 C ATOM 1799 C LYS B 35 -11.148 -0.026 -12.670 1.00 2.44 C ATOM 1800 O LYS B 35 -11.885 -1.002 -12.470 1.00 61.31 O ATOM 1801 CB LYS B 35 -11.745 -0.113 -15.196 1.00 13.55 C ATOM 1802 CG LYS B 35 -12.248 0.708 -16.406 1.00 20.25 C ATOM 1803 CD LYS B 35 -12.860 -0.178 -17.516 1.00 1.45 C ATOM 1804 CE LYS B 35 -13.456 0.643 -18.675 1.00 25.30 C ATOM 1805 NZ LYS B 35 -14.565 1.530 -18.223 1.00 71.44 N ATOM 0 H LYS B 35 -9.998 2.454 -14.316 1.00 22.11 H new ATOM 0 HA LYS B 35 -11.954 1.550 -13.866 1.00 50.34 H new ATOM 0 HB2 LYS B 35 -10.948 -0.778 -15.527 1.00 13.55 H new ATOM 0 HB3 LYS B 35 -12.557 -0.744 -14.835 1.00 13.55 H new ATOM 0 HG2 LYS B 35 -12.995 1.426 -16.067 1.00 20.25 H new ATOM 0 HG3 LYS B 35 -11.419 1.282 -16.820 1.00 20.25 H new ATOM 0 HD2 LYS B 35 -12.092 -0.845 -17.907 1.00 1.45 H new ATOM 0 HD3 LYS B 35 -13.639 -0.807 -17.084 1.00 1.45 H new ATOM 0 HE2 LYS B 35 -12.672 1.248 -19.131 1.00 25.30 H new ATOM 0 HE3 LYS B 35 -13.825 -0.034 -19.446 1.00 25.30 H new ATOM 0 HZ1 LYS B 35 -15.057 1.920 -19.052 1.00 71.44 H new ATOM 0 HZ2 LYS B 35 -15.236 0.981 -17.649 1.00 71.44 H new ATOM 0 HZ3 LYS B 35 -14.177 2.308 -17.653 1.00 71.44 H new ATOM 1819 N LEU B 36 -10.293 0.446 -11.734 1.00 41.01 N ATOM 1820 CA LEU B 36 -10.237 -0.090 -10.350 1.00 54.02 C ATOM 1821 C LEU B 36 -11.450 0.425 -9.537 1.00 54.41 C ATOM 1822 O LEU B 36 -11.698 1.634 -9.472 1.00 21.24 O ATOM 1823 CB LEU B 36 -8.904 0.293 -9.646 1.00 73.33 C ATOM 1824 CG LEU B 36 -7.599 -0.317 -10.260 1.00 54.15 C ATOM 1825 CD1 LEU B 36 -6.347 0.128 -9.475 1.00 44.33 C ATOM 1826 CD2 LEU B 36 -7.674 -1.859 -10.367 1.00 23.44 C ATOM 0 H LEU B 36 -9.629 1.200 -11.911 1.00 41.01 H new ATOM 0 HA LEU B 36 -10.279 -1.178 -10.403 1.00 54.02 H new ATOM 0 HB2 LEU B 36 -8.812 1.379 -9.654 1.00 73.33 H new ATOM 0 HB3 LEU B 36 -8.967 -0.013 -8.602 1.00 73.33 H new ATOM 0 HG LEU B 36 -7.513 0.072 -11.275 1.00 54.15 H new ATOM 0 HD11 LEU B 36 -5.458 -0.313 -9.927 1.00 44.33 H new ATOM 0 HD12 LEU B 36 -6.267 1.215 -9.503 1.00 44.33 H new ATOM 0 HD13 LEU B 36 -6.430 -0.203 -8.440 1.00 44.33 H new ATOM 0 HD21 LEU B 36 -6.748 -2.239 -10.798 1.00 23.44 H new ATOM 0 HD22 LEU B 36 -7.814 -2.286 -9.374 1.00 23.44 H new ATOM 0 HD23 LEU B 36 -8.513 -2.139 -11.004 1.00 23.44 H new ATOM 1838 N LYS B 37 -12.181 -0.508 -8.910 1.00 72.31 N ATOM 1839 CA LYS B 37 -13.498 -0.237 -8.284 1.00 31.32 C ATOM 1840 C LYS B 37 -13.389 0.411 -6.879 1.00 1.51 C ATOM 1841 O LYS B 37 -14.293 1.142 -6.460 1.00 72.13 O ATOM 1842 CB LYS B 37 -14.307 -1.563 -8.201 1.00 61.12 C ATOM 1843 CG LYS B 37 -13.620 -2.683 -7.383 1.00 24.01 C ATOM 1844 CD LYS B 37 -14.448 -3.984 -7.324 1.00 22.10 C ATOM 1845 CE LYS B 37 -13.732 -5.101 -6.540 1.00 62.23 C ATOM 1846 NZ LYS B 37 -14.531 -6.348 -6.493 1.00 42.23 N ATOM 0 H LYS B 37 -11.880 -1.478 -8.819 1.00 72.31 H new ATOM 0 HA LYS B 37 -14.013 0.488 -8.915 1.00 31.32 H new ATOM 0 HB2 LYS B 37 -15.281 -1.353 -7.759 1.00 61.12 H new ATOM 0 HB3 LYS B 37 -14.488 -1.928 -9.212 1.00 61.12 H new ATOM 0 HG2 LYS B 37 -12.646 -2.899 -7.821 1.00 24.01 H new ATOM 0 HG3 LYS B 37 -13.442 -2.327 -6.369 1.00 24.01 H new ATOM 0 HD2 LYS B 37 -15.412 -3.777 -6.858 1.00 22.10 H new ATOM 0 HD3 LYS B 37 -14.651 -4.328 -8.338 1.00 22.10 H new ATOM 0 HE2 LYS B 37 -12.767 -5.307 -7.002 1.00 62.23 H new ATOM 0 HE3 LYS B 37 -13.533 -4.760 -5.524 1.00 62.23 H new ATOM 0 HZ1 LYS B 37 -14.013 -7.073 -5.956 1.00 42.23 H new ATOM 0 HZ2 LYS B 37 -15.442 -6.159 -6.029 1.00 42.23 H new ATOM 0 HZ3 LYS B 37 -14.700 -6.689 -7.461 1.00 42.23 H new ATOM 1860 N ALA B 38 -12.289 0.143 -6.165 1.00 3.21 N ATOM 1861 CA ALA B 38 -12.118 0.568 -4.756 1.00 34.44 C ATOM 1862 C ALA B 38 -10.743 1.219 -4.504 1.00 23.02 C ATOM 1863 O ALA B 38 -9.779 1.006 -5.255 1.00 54.14 O ATOM 1864 CB ALA B 38 -12.313 -0.639 -3.814 1.00 50.02 C ATOM 0 H ALA B 38 -11.492 -0.372 -6.539 1.00 3.21 H new ATOM 0 HA ALA B 38 -12.877 1.323 -4.549 1.00 34.44 H new ATOM 0 HB1 ALA B 38 -12.186 -0.318 -2.780 1.00 50.02 H new ATOM 0 HB2 ALA B 38 -13.315 -1.046 -3.947 1.00 50.02 H new ATOM 0 HB3 ALA B 38 -11.576 -1.407 -4.049 1.00 50.02 H new ATOM 1870 N ASP B 39 -10.679 2.027 -3.419 1.00 51.05 N ATOM 1871 CA ASP B 39 -9.409 2.575 -2.882 1.00 71.31 C ATOM 1872 C ASP B 39 -8.460 1.437 -2.442 1.00 54.54 C ATOM 1873 O ASP B 39 -7.253 1.607 -2.451 1.00 62.20 O ATOM 1874 CB ASP B 39 -9.677 3.518 -1.686 1.00 51.22 C ATOM 1875 CG ASP B 39 -10.492 4.761 -2.077 1.00 1.22 C ATOM 1876 OD1 ASP B 39 -9.912 5.716 -2.643 1.00 31.52 O ATOM 1877 OD2 ASP B 39 -11.724 4.768 -1.873 1.00 3.02 O ATOM 0 H ASP B 39 -11.503 2.317 -2.892 1.00 51.05 H new ATOM 0 HA ASP B 39 -8.933 3.144 -3.681 1.00 71.31 H new ATOM 0 HB2 ASP B 39 -10.210 2.969 -0.909 1.00 51.22 H new ATOM 0 HB3 ASP B 39 -8.726 3.833 -1.258 1.00 51.22 H new ATOM 1882 N LYS B 40 -9.047 0.294 -2.045 1.00 22.14 N ATOM 1883 CA LYS B 40 -8.318 -0.961 -1.705 1.00 62.15 C ATOM 1884 C LYS B 40 -7.374 -1.440 -2.841 1.00 70.15 C ATOM 1885 O LYS B 40 -6.219 -1.800 -2.591 1.00 2.13 O ATOM 1886 CB LYS B 40 -9.359 -2.060 -1.380 1.00 64.35 C ATOM 1887 CG LYS B 40 -10.165 -1.805 -0.088 1.00 55.23 C ATOM 1888 CD LYS B 40 -9.343 -2.115 1.180 1.00 30.33 C ATOM 1889 CE LYS B 40 -10.148 -1.927 2.475 1.00 53.12 C ATOM 1890 NZ LYS B 40 -10.543 -0.512 2.687 1.00 64.35 N ATOM 0 H LYS B 40 -10.058 0.205 -1.947 1.00 22.14 H new ATOM 0 HA LYS B 40 -7.682 -0.758 -0.843 1.00 62.15 H new ATOM 0 HB2 LYS B 40 -10.052 -2.147 -2.216 1.00 64.35 H new ATOM 0 HB3 LYS B 40 -8.845 -3.017 -1.291 1.00 64.35 H new ATOM 0 HG2 LYS B 40 -10.490 -0.765 -0.063 1.00 55.23 H new ATOM 0 HG3 LYS B 40 -11.065 -2.420 -0.095 1.00 55.23 H new ATOM 0 HD2 LYS B 40 -8.980 -3.142 1.130 1.00 30.33 H new ATOM 0 HD3 LYS B 40 -8.466 -1.468 1.206 1.00 30.33 H new ATOM 0 HE2 LYS B 40 -11.041 -2.551 2.440 1.00 53.12 H new ATOM 0 HE3 LYS B 40 -9.554 -2.268 3.323 1.00 53.12 H new ATOM 0 HZ1 LYS B 40 -10.071 -0.143 3.537 1.00 64.35 H new ATOM 0 HZ2 LYS B 40 -10.261 0.054 1.862 1.00 64.35 H new ATOM 0 HZ3 LYS B 40 -11.574 -0.454 2.811 1.00 64.35 H new ATOM 1904 N ASP B 41 -7.891 -1.433 -4.085 1.00 33.54 N ATOM 1905 CA ASP B 41 -7.108 -1.803 -5.293 1.00 41.15 C ATOM 1906 C ASP B 41 -5.995 -0.760 -5.552 1.00 64.41 C ATOM 1907 O ASP B 41 -4.878 -1.092 -5.975 1.00 44.21 O ATOM 1908 CB ASP B 41 -8.041 -1.882 -6.529 1.00 44.52 C ATOM 1909 CG ASP B 41 -9.301 -2.722 -6.281 1.00 31.44 C ATOM 1910 OD1 ASP B 41 -9.169 -3.935 -6.037 1.00 65.23 O ATOM 1911 OD2 ASP B 41 -10.423 -2.177 -6.318 1.00 11.20 O ATOM 0 H ASP B 41 -8.857 -1.173 -4.286 1.00 33.54 H new ATOM 0 HA ASP B 41 -6.651 -2.778 -5.123 1.00 41.15 H new ATOM 0 HB2 ASP B 41 -8.336 -0.873 -6.819 1.00 44.52 H new ATOM 0 HB3 ASP B 41 -7.488 -2.306 -7.367 1.00 44.52 H new ATOM 1916 N PHE B 42 -6.343 0.505 -5.271 1.00 2.01 N ATOM 1917 CA PHE B 42 -5.461 1.664 -5.468 1.00 54.35 C ATOM 1918 C PHE B 42 -4.256 1.664 -4.485 1.00 20.25 C ATOM 1919 O PHE B 42 -3.142 1.920 -4.901 1.00 72.11 O ATOM 1920 CB PHE B 42 -6.291 2.972 -5.333 1.00 3.33 C ATOM 1921 CG PHE B 42 -5.476 4.259 -5.458 1.00 22.54 C ATOM 1922 CD1 PHE B 42 -4.668 4.480 -6.571 1.00 63.53 C ATOM 1923 CD2 PHE B 42 -5.498 5.236 -4.456 1.00 14.25 C ATOM 1924 CE1 PHE B 42 -3.919 5.627 -6.684 1.00 2.50 C ATOM 1925 CE2 PHE B 42 -4.744 6.387 -4.578 1.00 13.44 C ATOM 1926 CZ PHE B 42 -3.952 6.580 -5.693 1.00 71.34 C ATOM 0 H PHE B 42 -7.258 0.754 -4.895 1.00 2.01 H new ATOM 0 HA PHE B 42 -5.039 1.602 -6.471 1.00 54.35 H new ATOM 0 HB2 PHE B 42 -7.068 2.974 -6.097 1.00 3.33 H new ATOM 0 HB3 PHE B 42 -6.795 2.969 -4.366 1.00 3.33 H new ATOM 0 HD1 PHE B 42 -4.630 3.740 -7.356 1.00 63.53 H new ATOM 0 HD2 PHE B 42 -6.111 5.089 -3.579 1.00 14.25 H new ATOM 0 HE1 PHE B 42 -3.301 5.781 -7.556 1.00 2.50 H new ATOM 0 HE2 PHE B 42 -4.774 7.137 -3.801 1.00 13.44 H new ATOM 0 HZ PHE B 42 -3.359 7.478 -5.786 1.00 71.34 H new ATOM 1936 N PHE B 43 -4.491 1.377 -3.190 1.00 31.31 N ATOM 1937 CA PHE B 43 -3.429 1.428 -2.140 1.00 23.11 C ATOM 1938 C PHE B 43 -2.341 0.351 -2.351 1.00 43.13 C ATOM 1939 O PHE B 43 -1.154 0.621 -2.155 1.00 74.53 O ATOM 1940 CB PHE B 43 -4.034 1.281 -0.715 1.00 70.34 C ATOM 1941 CG PHE B 43 -5.034 2.370 -0.321 1.00 34.41 C ATOM 1942 CD1 PHE B 43 -4.836 3.705 -0.691 1.00 61.42 C ATOM 1943 CD2 PHE B 43 -6.163 2.058 0.438 1.00 3.23 C ATOM 1944 CE1 PHE B 43 -5.744 4.684 -0.330 1.00 63.15 C ATOM 1945 CE2 PHE B 43 -7.070 3.031 0.799 1.00 54.01 C ATOM 1946 CZ PHE B 43 -6.859 4.350 0.421 1.00 62.42 C ATOM 0 H PHE B 43 -5.408 1.105 -2.835 1.00 31.31 H new ATOM 0 HA PHE B 43 -2.960 2.407 -2.232 1.00 23.11 H new ATOM 0 HB2 PHE B 43 -4.529 0.312 -0.645 1.00 70.34 H new ATOM 0 HB3 PHE B 43 -3.220 1.277 0.010 1.00 70.34 H new ATOM 0 HD1 PHE B 43 -3.963 3.975 -1.266 1.00 61.42 H new ATOM 0 HD2 PHE B 43 -6.329 1.037 0.748 1.00 3.23 H new ATOM 0 HE1 PHE B 43 -5.584 5.708 -0.633 1.00 63.15 H new ATOM 0 HE2 PHE B 43 -7.944 2.767 1.376 1.00 54.01 H new ATOM 0 HZ PHE B 43 -7.564 5.115 0.712 1.00 62.42 H new ATOM 1956 N LEU B 44 -2.762 -0.865 -2.746 1.00 44.31 N ATOM 1957 CA LEU B 44 -1.836 -1.998 -2.998 1.00 15.24 C ATOM 1958 C LEU B 44 -1.021 -1.771 -4.295 1.00 34.22 C ATOM 1959 O LEU B 44 0.196 -1.993 -4.315 1.00 64.33 O ATOM 1960 CB LEU B 44 -2.622 -3.352 -3.043 1.00 1.41 C ATOM 1961 CG LEU B 44 -2.992 -3.987 -1.651 1.00 12.14 C ATOM 1962 CD1 LEU B 44 -3.844 -3.044 -0.766 1.00 71.45 C ATOM 1963 CD2 LEU B 44 -3.695 -5.355 -1.828 1.00 2.11 C ATOM 0 H LEU B 44 -3.744 -1.094 -2.900 1.00 44.31 H new ATOM 0 HA LEU B 44 -1.126 -2.052 -2.173 1.00 15.24 H new ATOM 0 HB2 LEU B 44 -3.543 -3.195 -3.604 1.00 1.41 H new ATOM 0 HB3 LEU B 44 -2.028 -4.075 -3.602 1.00 1.41 H new ATOM 0 HG LEU B 44 -2.049 -4.145 -1.127 1.00 12.14 H new ATOM 0 HD11 LEU B 44 -4.068 -3.537 0.180 1.00 71.45 H new ATOM 0 HD12 LEU B 44 -3.290 -2.125 -0.575 1.00 71.45 H new ATOM 0 HD13 LEU B 44 -4.775 -2.806 -1.280 1.00 71.45 H new ATOM 0 HD21 LEU B 44 -3.938 -5.769 -0.849 1.00 2.11 H new ATOM 0 HD22 LEU B 44 -4.611 -5.222 -2.403 1.00 2.11 H new ATOM 0 HD23 LEU B 44 -3.031 -6.039 -2.356 1.00 2.11 H new ATOM 1975 N GLY B 45 -1.704 -1.298 -5.358 1.00 73.22 N ATOM 1976 CA GLY B 45 -1.040 -0.956 -6.629 1.00 25.43 C ATOM 1977 C GLY B 45 -0.037 0.203 -6.494 1.00 12.23 C ATOM 1978 O GLY B 45 1.131 0.069 -6.850 1.00 1.22 O ATOM 0 H GLY B 45 -2.712 -1.145 -5.360 1.00 73.22 H new ATOM 0 HA2 GLY B 45 -0.520 -1.836 -7.009 1.00 25.43 H new ATOM 0 HA3 GLY B 45 -1.797 -0.690 -7.367 1.00 25.43 H new ATOM 1982 N LEU B 46 -0.509 1.330 -5.938 1.00 15.12 N ATOM 1983 CA LEU B 46 0.321 2.532 -5.644 1.00 44.21 C ATOM 1984 C LEU B 46 1.475 2.212 -4.661 1.00 45.53 C ATOM 1985 O LEU B 46 2.572 2.763 -4.776 1.00 55.22 O ATOM 1986 CB LEU B 46 -0.569 3.660 -5.049 1.00 21.43 C ATOM 1987 CG LEU B 46 0.168 4.965 -4.607 1.00 52.01 C ATOM 1988 CD1 LEU B 46 0.885 5.631 -5.798 1.00 53.43 C ATOM 1989 CD2 LEU B 46 -0.796 5.947 -3.895 1.00 20.21 C ATOM 0 H LEU B 46 -1.487 1.444 -5.673 1.00 15.12 H new ATOM 0 HA LEU B 46 0.762 2.862 -6.584 1.00 44.21 H new ATOM 0 HB2 LEU B 46 -1.323 3.927 -5.790 1.00 21.43 H new ATOM 0 HB3 LEU B 46 -1.099 3.258 -4.186 1.00 21.43 H new ATOM 0 HG LEU B 46 0.932 4.685 -3.882 1.00 52.01 H new ATOM 0 HD11 LEU B 46 1.389 6.536 -5.459 1.00 53.43 H new ATOM 0 HD12 LEU B 46 1.620 4.941 -6.213 1.00 53.43 H new ATOM 0 HD13 LEU B 46 0.154 5.888 -6.565 1.00 53.43 H new ATOM 0 HD21 LEU B 46 -0.250 6.844 -3.601 1.00 20.21 H new ATOM 0 HD22 LEU B 46 -1.604 6.220 -4.574 1.00 20.21 H new ATOM 0 HD23 LEU B 46 -1.213 5.469 -3.008 1.00 20.21 H new ATOM 2001 N GLY B 47 1.203 1.304 -3.716 1.00 41.13 N ATOM 2002 CA GLY B 47 2.203 0.852 -2.731 1.00 63.55 C ATOM 2003 C GLY B 47 3.398 0.151 -3.386 1.00 1.53 C ATOM 2004 O GLY B 47 4.531 0.228 -2.898 1.00 33.40 O ATOM 0 H GLY B 47 0.290 0.862 -3.610 1.00 41.13 H new ATOM 0 HA2 GLY B 47 2.558 1.709 -2.159 1.00 63.55 H new ATOM 0 HA3 GLY B 47 1.729 0.171 -2.024 1.00 63.55 H new ATOM 2008 N TRP B 48 3.125 -0.523 -4.517 1.00 11.44 N ATOM 2009 CA TRP B 48 4.153 -1.160 -5.356 1.00 22.12 C ATOM 2010 C TRP B 48 4.956 -0.105 -6.170 1.00 53.15 C ATOM 2011 O TRP B 48 6.158 -0.263 -6.403 1.00 53.52 O ATOM 2012 CB TRP B 48 3.482 -2.176 -6.300 1.00 64.24 C ATOM 2013 CG TRP B 48 4.453 -3.115 -6.962 1.00 32.02 C ATOM 2014 CD1 TRP B 48 4.958 -3.054 -8.227 1.00 43.12 C ATOM 2015 CD2 TRP B 48 5.046 -4.247 -6.349 1.00 52.34 C ATOM 2016 NE1 TRP B 48 5.827 -4.093 -8.431 1.00 14.31 N ATOM 2017 CE2 TRP B 48 5.901 -4.836 -7.289 1.00 10.54 C ATOM 2018 CE3 TRP B 48 4.936 -4.805 -5.081 1.00 50.43 C ATOM 2019 CZ2 TRP B 48 6.632 -5.977 -7.003 1.00 22.24 C ATOM 2020 CZ3 TRP B 48 5.663 -5.925 -4.794 1.00 65.22 C ATOM 2021 CH2 TRP B 48 6.509 -6.502 -5.745 1.00 3.54 C ATOM 0 H TRP B 48 2.178 -0.641 -4.876 1.00 11.44 H new ATOM 0 HA TRP B 48 4.861 -1.677 -4.708 1.00 22.12 H new ATOM 0 HB2 TRP B 48 2.754 -2.758 -5.735 1.00 64.24 H new ATOM 0 HB3 TRP B 48 2.930 -1.635 -7.069 1.00 64.24 H new ATOM 0 HD1 TRP B 48 4.710 -2.299 -8.959 1.00 43.12 H new ATOM 0 HE1 TRP B 48 6.335 -4.281 -9.295 1.00 14.31 H new ATOM 0 HE3 TRP B 48 4.289 -4.362 -4.338 1.00 50.43 H new ATOM 0 HZ2 TRP B 48 7.273 -6.434 -7.742 1.00 22.24 H new ATOM 0 HZ3 TRP B 48 5.583 -6.373 -3.815 1.00 65.22 H new ATOM 0 HH2 TRP B 48 7.078 -7.381 -5.482 1.00 3.54 H new ATOM 2032 N LEU B 49 4.270 0.959 -6.612 1.00 24.41 N ATOM 2033 CA LEU B 49 4.916 2.138 -7.258 1.00 62.03 C ATOM 2034 C LEU B 49 5.888 2.849 -6.274 1.00 64.52 C ATOM 2035 O LEU B 49 6.925 3.384 -6.685 1.00 15.44 O ATOM 2036 CB LEU B 49 3.831 3.136 -7.767 1.00 32.44 C ATOM 2037 CG LEU B 49 3.159 2.843 -9.150 1.00 41.45 C ATOM 2038 CD1 LEU B 49 2.670 1.404 -9.260 1.00 2.31 C ATOM 2039 CD2 LEU B 49 1.994 3.825 -9.409 1.00 32.41 C ATOM 0 H LEU B 49 3.256 1.038 -6.538 1.00 24.41 H new ATOM 0 HA LEU B 49 5.497 1.785 -8.110 1.00 62.03 H new ATOM 0 HB2 LEU B 49 3.043 3.185 -7.016 1.00 32.44 H new ATOM 0 HB3 LEU B 49 4.285 4.126 -7.818 1.00 32.44 H new ATOM 0 HG LEU B 49 3.924 2.987 -9.913 1.00 41.45 H new ATOM 0 HD11 LEU B 49 2.211 1.249 -10.237 1.00 2.31 H new ATOM 0 HD12 LEU B 49 3.513 0.723 -9.143 1.00 2.31 H new ATOM 0 HD13 LEU B 49 1.935 1.209 -8.479 1.00 2.31 H new ATOM 0 HD21 LEU B 49 1.540 3.605 -10.375 1.00 32.41 H new ATOM 0 HD22 LEU B 49 1.246 3.717 -8.624 1.00 32.41 H new ATOM 0 HD23 LEU B 49 2.373 4.847 -9.411 1.00 32.41 H new ATOM 2051 N LEU B 50 5.520 2.851 -4.976 1.00 44.41 N ATOM 2052 CA LEU B 50 6.367 3.379 -3.880 1.00 45.34 C ATOM 2053 C LEU B 50 7.522 2.407 -3.554 1.00 50.11 C ATOM 2054 O LEU B 50 8.639 2.843 -3.239 1.00 25.50 O ATOM 2055 CB LEU B 50 5.522 3.635 -2.598 1.00 22.33 C ATOM 2056 CG LEU B 50 4.338 4.642 -2.745 1.00 33.33 C ATOM 2057 CD1 LEU B 50 3.585 4.839 -1.407 1.00 72.20 C ATOM 2058 CD2 LEU B 50 4.821 5.987 -3.329 1.00 52.14 C ATOM 0 H LEU B 50 4.624 2.485 -4.655 1.00 44.41 H new ATOM 0 HA LEU B 50 6.789 4.325 -4.220 1.00 45.34 H new ATOM 0 HB2 LEU B 50 5.121 2.681 -2.256 1.00 22.33 H new ATOM 0 HB3 LEU B 50 6.188 4.000 -1.816 1.00 22.33 H new ATOM 0 HG LEU B 50 3.627 4.212 -3.451 1.00 33.33 H new ATOM 0 HD11 LEU B 50 2.768 5.547 -1.550 1.00 72.20 H new ATOM 0 HD12 LEU B 50 3.183 3.883 -1.072 1.00 72.20 H new ATOM 0 HD13 LEU B 50 4.273 5.226 -0.656 1.00 72.20 H new ATOM 0 HD21 LEU B 50 3.975 6.669 -3.420 1.00 52.14 H new ATOM 0 HD22 LEU B 50 5.569 6.423 -2.667 1.00 52.14 H new ATOM 0 HD23 LEU B 50 5.260 5.820 -4.313 1.00 52.14 H new ATOM 2070 N ARG B 51 7.236 1.083 -3.637 1.00 12.43 N ATOM 2071 CA ARG B 51 8.233 0.026 -3.349 1.00 52.22 C ATOM 2072 C ARG B 51 9.359 0.024 -4.418 1.00 51.23 C ATOM 2073 O ARG B 51 10.509 -0.307 -4.118 1.00 41.41 O ATOM 2074 CB ARG B 51 7.538 -1.387 -3.190 1.00 21.21 C ATOM 2075 CG ARG B 51 7.560 -2.343 -4.422 1.00 1.51 C ATOM 2076 CD ARG B 51 8.774 -3.297 -4.464 1.00 1.32 C ATOM 2077 NE ARG B 51 8.914 -3.963 -5.773 1.00 73.22 N ATOM 2078 CZ ARG B 51 9.867 -4.797 -6.114 1.00 44.42 C ATOM 2079 NH1 ARG B 51 10.731 -5.215 -5.254 1.00 40.34 N ATOM 2080 NH2 ARG B 51 9.941 -5.219 -7.331 1.00 53.12 N ATOM 0 H ARG B 51 6.319 0.723 -3.902 1.00 12.43 H new ATOM 0 HA ARG B 51 8.706 0.247 -2.392 1.00 52.22 H new ATOM 0 HB2 ARG B 51 8.012 -1.903 -2.355 1.00 21.21 H new ATOM 0 HB3 ARG B 51 6.497 -1.221 -2.912 1.00 21.21 H new ATOM 0 HG2 ARG B 51 6.646 -2.937 -4.423 1.00 1.51 H new ATOM 0 HG3 ARG B 51 7.552 -1.744 -5.332 1.00 1.51 H new ATOM 0 HD2 ARG B 51 9.682 -2.736 -4.245 1.00 1.32 H new ATOM 0 HD3 ARG B 51 8.669 -4.051 -3.684 1.00 1.32 H new ATOM 0 HE ARG B 51 8.205 -3.756 -6.477 1.00 73.22 H new ATOM 0 HH11 ARG B 51 10.682 -4.897 -4.286 1.00 40.34 H new ATOM 0 HH12 ARG B 51 11.464 -5.864 -5.541 1.00 40.34 H new ATOM 0 HH21 ARG B 51 9.260 -4.904 -8.022 1.00 53.12 H new ATOM 0 HH22 ARG B 51 10.680 -5.868 -7.602 1.00 53.12 H new ATOM 2094 N GLU B 52 9.012 0.392 -5.669 1.00 11.32 N ATOM 2095 CA GLU B 52 9.990 0.490 -6.781 1.00 20.33 C ATOM 2096 C GLU B 52 10.439 1.955 -7.017 1.00 53.15 C ATOM 2097 O GLU B 52 11.264 2.213 -7.906 1.00 70.20 O ATOM 2098 CB GLU B 52 9.388 -0.138 -8.075 1.00 53.42 C ATOM 2099 CG GLU B 52 8.870 -1.580 -7.890 1.00 53.44 C ATOM 2100 CD GLU B 52 8.603 -2.358 -9.195 1.00 13.31 C ATOM 2101 OE1 GLU B 52 7.599 -2.078 -9.867 1.00 60.51 O ATOM 2102 OE2 GLU B 52 9.382 -3.278 -9.528 1.00 50.53 O ATOM 0 H GLU B 52 8.057 0.628 -5.939 1.00 11.32 H new ATOM 0 HA GLU B 52 10.882 -0.072 -6.506 1.00 20.33 H new ATOM 0 HB2 GLU B 52 8.568 0.490 -8.424 1.00 53.42 H new ATOM 0 HB3 GLU B 52 10.148 -0.133 -8.856 1.00 53.42 H new ATOM 0 HG2 GLU B 52 9.596 -2.136 -7.297 1.00 53.44 H new ATOM 0 HG3 GLU B 52 7.947 -1.545 -7.312 1.00 53.44 H new ATOM 2109 N ASP B 53 9.852 2.898 -6.230 1.00 34.40 N ATOM 2110 CA ASP B 53 10.247 4.340 -6.182 1.00 51.42 C ATOM 2111 C ASP B 53 9.999 5.068 -7.539 1.00 20.42 C ATOM 2112 O ASP B 53 10.486 6.176 -7.777 1.00 55.34 O ATOM 2113 CB ASP B 53 11.725 4.455 -5.689 1.00 11.43 C ATOM 2114 CG ASP B 53 12.098 5.849 -5.169 1.00 75.15 C ATOM 2115 OD1 ASP B 53 11.618 6.231 -4.076 1.00 54.14 O ATOM 2116 OD2 ASP B 53 12.861 6.577 -5.838 1.00 34.41 O ATOM 0 H ASP B 53 9.080 2.678 -5.601 1.00 34.40 H new ATOM 0 HA ASP B 53 9.608 4.857 -5.466 1.00 51.42 H new ATOM 0 HB2 ASP B 53 11.892 3.725 -4.897 1.00 11.43 H new ATOM 0 HB3 ASP B 53 12.393 4.193 -6.509 1.00 11.43 H new ATOM 2121 N LYS B 54 9.149 4.453 -8.386 1.00 40.42 N ATOM 2122 CA LYS B 54 8.849 4.935 -9.758 1.00 1.03 C ATOM 2123 C LYS B 54 7.953 6.185 -9.772 1.00 51.25 C ATOM 2124 O LYS B 54 7.780 6.809 -10.826 1.00 64.53 O ATOM 2125 CB LYS B 54 8.160 3.813 -10.571 1.00 42.24 C ATOM 2126 CG LYS B 54 8.994 2.529 -10.692 1.00 52.51 C ATOM 2127 CD LYS B 54 8.283 1.420 -11.490 1.00 11.22 C ATOM 2128 CE LYS B 54 6.939 1.008 -10.871 1.00 61.33 C ATOM 2129 NZ LYS B 54 6.392 -0.187 -11.539 1.00 63.33 N ATOM 0 H LYS B 54 8.645 3.601 -8.139 1.00 40.42 H new ATOM 0 HA LYS B 54 9.803 5.209 -10.208 1.00 1.03 H new ATOM 0 HB2 LYS B 54 7.206 3.572 -10.102 1.00 42.24 H new ATOM 0 HB3 LYS B 54 7.939 4.186 -11.571 1.00 42.24 H new ATOM 0 HG2 LYS B 54 9.943 2.763 -11.174 1.00 52.51 H new ATOM 0 HG3 LYS B 54 9.226 2.158 -9.694 1.00 52.51 H new ATOM 0 HD2 LYS B 54 8.117 1.763 -12.511 1.00 11.22 H new ATOM 0 HD3 LYS B 54 8.933 0.547 -11.549 1.00 11.22 H new ATOM 0 HE2 LYS B 54 7.071 0.806 -9.808 1.00 61.33 H new ATOM 0 HE3 LYS B 54 6.229 1.831 -10.953 1.00 61.33 H new ATOM 0 HZ1 LYS B 54 5.353 -0.160 -11.502 1.00 63.33 H new ATOM 0 HZ2 LYS B 54 6.703 -0.203 -12.531 1.00 63.33 H new ATOM 0 HZ3 LYS B 54 6.734 -1.042 -11.056 1.00 63.33 H new ATOM 2143 N VAL B 55 7.359 6.534 -8.611 1.00 64.14 N ATOM 2144 CA VAL B 55 6.440 7.690 -8.494 1.00 43.23 C ATOM 2145 C VAL B 55 6.804 8.597 -7.305 1.00 13.44 C ATOM 2146 O VAL B 55 7.493 8.188 -6.370 1.00 72.32 O ATOM 2147 CB VAL B 55 4.938 7.253 -8.350 1.00 31.14 C ATOM 2148 CG1 VAL B 55 4.479 6.438 -9.576 1.00 53.41 C ATOM 2149 CG2 VAL B 55 4.686 6.488 -7.022 1.00 65.21 C ATOM 0 H VAL B 55 7.500 6.029 -7.736 1.00 64.14 H new ATOM 0 HA VAL B 55 6.558 8.246 -9.424 1.00 43.23 H new ATOM 0 HB VAL B 55 4.333 8.159 -8.311 1.00 31.14 H new ATOM 0 HG11 VAL B 55 3.436 6.148 -9.450 1.00 53.41 H new ATOM 0 HG12 VAL B 55 4.581 7.045 -10.475 1.00 53.41 H new ATOM 0 HG13 VAL B 55 5.095 5.544 -9.670 1.00 53.41 H new ATOM 0 HG21 VAL B 55 3.636 6.203 -6.960 1.00 65.21 H new ATOM 0 HG22 VAL B 55 5.307 5.593 -6.994 1.00 65.21 H new ATOM 0 HG23 VAL B 55 4.938 7.131 -6.178 1.00 65.21 H new ATOM 2159 N VAL B 56 6.317 9.838 -7.384 1.00 43.42 N ATOM 2160 CA VAL B 56 6.389 10.833 -6.313 1.00 44.44 C ATOM 2161 C VAL B 56 4.961 11.252 -5.891 1.00 41.14 C ATOM 2162 O VAL B 56 4.092 11.518 -6.733 1.00 4.52 O ATOM 2163 CB VAL B 56 7.284 12.071 -6.730 1.00 53.11 C ATOM 2164 CG1 VAL B 56 6.883 12.631 -8.117 1.00 43.12 C ATOM 2165 CG2 VAL B 56 7.276 13.187 -5.641 1.00 52.10 C ATOM 0 H VAL B 56 5.848 10.188 -8.220 1.00 43.42 H new ATOM 0 HA VAL B 56 6.877 10.386 -5.447 1.00 44.44 H new ATOM 0 HB VAL B 56 8.308 11.706 -6.812 1.00 53.11 H new ATOM 0 HG11 VAL B 56 7.521 13.479 -8.365 1.00 43.12 H new ATOM 0 HG12 VAL B 56 7.003 11.854 -8.872 1.00 43.12 H new ATOM 0 HG13 VAL B 56 5.843 12.955 -8.092 1.00 43.12 H new ATOM 0 HG21 VAL B 56 7.902 14.018 -5.967 1.00 52.10 H new ATOM 0 HG22 VAL B 56 6.256 13.539 -5.489 1.00 52.10 H new ATOM 0 HG23 VAL B 56 7.664 12.785 -4.705 1.00 52.10 H new ATOM 2175 N THR B 57 4.740 11.282 -4.571 1.00 70.02 N ATOM 2176 CA THR B 57 3.418 11.505 -3.959 1.00 50.01 C ATOM 2177 C THR B 57 3.277 12.940 -3.420 1.00 51.14 C ATOM 2178 O THR B 57 4.211 13.498 -2.832 1.00 42.43 O ATOM 2179 CB THR B 57 3.176 10.502 -2.781 1.00 71.32 C ATOM 2180 OG1 THR B 57 4.278 10.563 -1.849 1.00 34.51 O ATOM 2181 CG2 THR B 57 2.987 9.059 -3.279 1.00 21.14 C ATOM 0 H THR B 57 5.484 11.150 -3.885 1.00 70.02 H new ATOM 0 HA THR B 57 2.677 11.345 -4.742 1.00 50.01 H new ATOM 0 HB THR B 57 2.254 10.798 -2.281 1.00 71.32 H new ATOM 0 HG1 THR B 57 4.169 11.341 -1.263 1.00 34.51 H new ATOM 0 HG21 THR B 57 2.822 8.399 -2.427 1.00 21.14 H new ATOM 0 HG22 THR B 57 2.125 9.014 -3.945 1.00 21.14 H new ATOM 0 HG23 THR B 57 3.879 8.740 -3.818 1.00 21.14 H new ATOM 2189 N SER B 58 2.091 13.513 -3.630 1.00 52.42 N ATOM 2190 CA SER B 58 1.702 14.850 -3.128 1.00 21.12 C ATOM 2191 C SER B 58 0.220 14.832 -2.715 1.00 52.52 C ATOM 2192 O SER B 58 -0.518 13.902 -3.055 1.00 75.54 O ATOM 2193 CB SER B 58 1.938 15.928 -4.220 1.00 35.21 C ATOM 2194 OG SER B 58 3.309 15.998 -4.595 1.00 22.13 O ATOM 0 H SER B 58 1.351 13.058 -4.165 1.00 52.42 H new ATOM 0 HA SER B 58 2.316 15.097 -2.262 1.00 21.12 H new ATOM 0 HB2 SER B 58 1.331 15.699 -5.096 1.00 35.21 H new ATOM 0 HB3 SER B 58 1.611 16.900 -3.850 1.00 35.21 H new ATOM 0 HG SER B 58 3.425 16.684 -5.285 1.00 22.13 H new ATOM 2200 N GLU B 59 -0.220 15.855 -1.979 1.00 34.55 N ATOM 2201 CA GLU B 59 -1.633 15.982 -1.578 1.00 14.34 C ATOM 2202 C GLU B 59 -2.192 17.314 -2.103 1.00 53.42 C ATOM 2203 O GLU B 59 -1.680 18.387 -1.761 1.00 71.42 O ATOM 2204 CB GLU B 59 -1.788 15.878 -0.039 1.00 74.44 C ATOM 2205 CG GLU B 59 -3.252 15.775 0.436 1.00 51.51 C ATOM 2206 CD GLU B 59 -3.392 15.642 1.961 1.00 14.45 C ATOM 2207 OE1 GLU B 59 -2.926 14.625 2.523 1.00 10.50 O ATOM 2208 OE2 GLU B 59 -3.943 16.560 2.610 1.00 73.53 O ATOM 0 H GLU B 59 0.378 16.611 -1.646 1.00 34.55 H new ATOM 0 HA GLU B 59 -2.202 15.161 -2.014 1.00 14.34 H new ATOM 0 HB2 GLU B 59 -1.240 15.004 0.313 1.00 74.44 H new ATOM 0 HB3 GLU B 59 -1.327 16.751 0.423 1.00 74.44 H new ATOM 0 HG2 GLU B 59 -3.797 16.659 0.104 1.00 51.51 H new ATOM 0 HG3 GLU B 59 -3.721 14.914 -0.041 1.00 51.51 H new ATOM 2215 N VAL B 60 -3.242 17.232 -2.935 1.00 2.22 N ATOM 2216 CA VAL B 60 -3.919 18.416 -3.492 1.00 31.44 C ATOM 2217 C VAL B 60 -5.246 18.629 -2.744 1.00 62.43 C ATOM 2218 O VAL B 60 -6.197 17.851 -2.895 1.00 12.00 O ATOM 2219 CB VAL B 60 -4.150 18.284 -5.052 1.00 22.52 C ATOM 2220 CG1 VAL B 60 -5.155 19.339 -5.602 1.00 41.14 C ATOM 2221 CG2 VAL B 60 -2.796 18.394 -5.796 1.00 32.31 C ATOM 0 H VAL B 60 -3.645 16.346 -3.240 1.00 2.22 H new ATOM 0 HA VAL B 60 -3.280 19.287 -3.351 1.00 31.44 H new ATOM 0 HB VAL B 60 -4.592 17.304 -5.231 1.00 22.52 H new ATOM 0 HG11 VAL B 60 -5.275 19.202 -6.677 1.00 41.14 H new ATOM 0 HG12 VAL B 60 -6.120 19.214 -5.110 1.00 41.14 H new ATOM 0 HG13 VAL B 60 -4.775 20.341 -5.405 1.00 41.14 H new ATOM 0 HG21 VAL B 60 -2.962 18.302 -6.869 1.00 32.31 H new ATOM 0 HG22 VAL B 60 -2.340 19.360 -5.581 1.00 32.31 H new ATOM 0 HG23 VAL B 60 -2.132 17.597 -5.462 1.00 32.31 H new ATOM 2231 N GLU B 61 -5.247 19.676 -1.897 1.00 72.33 N ATOM 2232 CA GLU B 61 -6.428 20.187 -1.166 1.00 34.30 C ATOM 2233 C GLU B 61 -7.224 19.067 -0.421 1.00 50.22 C ATOM 2234 O GLU B 61 -8.460 19.085 -0.377 1.00 11.11 O ATOM 2235 CB GLU B 61 -7.317 21.027 -2.138 1.00 11.44 C ATOM 2236 CG GLU B 61 -6.532 22.094 -2.945 1.00 44.03 C ATOM 2237 CD GLU B 61 -7.430 23.022 -3.782 1.00 43.53 C ATOM 2238 OE1 GLU B 61 -7.914 24.047 -3.250 1.00 73.33 O ATOM 2239 OE2 GLU B 61 -7.653 22.738 -4.980 1.00 61.25 O ATOM 0 H GLU B 61 -4.401 20.208 -1.695 1.00 72.33 H new ATOM 0 HA GLU B 61 -6.078 20.841 -0.368 1.00 34.30 H new ATOM 0 HB2 GLU B 61 -7.814 20.352 -2.835 1.00 11.44 H new ATOM 0 HB3 GLU B 61 -8.098 21.523 -1.563 1.00 11.44 H new ATOM 0 HG2 GLU B 61 -5.944 22.698 -2.255 1.00 44.03 H new ATOM 0 HG3 GLU B 61 -5.828 21.590 -3.607 1.00 44.03 H new ATOM 2246 N GLY B 62 -6.484 18.111 0.183 1.00 34.42 N ATOM 2247 CA GLY B 62 -7.074 17.033 0.999 1.00 31.24 C ATOM 2248 C GLY B 62 -7.280 15.680 0.290 1.00 51.52 C ATOM 2249 O GLY B 62 -7.943 14.796 0.856 1.00 53.01 O ATOM 0 H GLY B 62 -5.467 18.067 0.118 1.00 34.42 H new ATOM 0 HA2 GLY B 62 -6.435 16.871 1.867 1.00 31.24 H new ATOM 0 HA3 GLY B 62 -8.039 17.375 1.373 1.00 31.24 H new ATOM 2253 N GLU B 63 -6.736 15.482 -0.935 1.00 24.34 N ATOM 2254 CA GLU B 63 -6.833 14.163 -1.635 1.00 41.34 C ATOM 2255 C GLU B 63 -5.477 13.694 -2.219 1.00 50.01 C ATOM 2256 O GLU B 63 -4.564 14.498 -2.453 1.00 65.33 O ATOM 2257 CB GLU B 63 -7.915 14.200 -2.751 1.00 34.04 C ATOM 2258 CG GLU B 63 -7.548 15.024 -4.003 1.00 50.00 C ATOM 2259 CD GLU B 63 -8.665 15.020 -5.059 1.00 0.44 C ATOM 2260 OE1 GLU B 63 -8.911 13.956 -5.674 1.00 71.21 O ATOM 2261 OE2 GLU B 63 -9.333 16.060 -5.250 1.00 20.55 O ATOM 0 H GLU B 63 -6.233 16.200 -1.457 1.00 24.34 H new ATOM 0 HA GLU B 63 -7.128 13.436 -0.878 1.00 41.34 H new ATOM 0 HB2 GLU B 63 -8.129 13.177 -3.060 1.00 34.04 H new ATOM 0 HB3 GLU B 63 -8.835 14.604 -2.328 1.00 34.04 H new ATOM 0 HG2 GLU B 63 -7.335 16.052 -3.708 1.00 50.00 H new ATOM 0 HG3 GLU B 63 -6.635 14.623 -4.443 1.00 50.00 H new ATOM 2268 N ILE B 64 -5.394 12.373 -2.487 1.00 43.01 N ATOM 2269 CA ILE B 64 -4.176 11.699 -2.980 1.00 31.31 C ATOM 2270 C ILE B 64 -3.913 12.041 -4.472 1.00 21.13 C ATOM 2271 O ILE B 64 -4.670 11.631 -5.359 1.00 70.42 O ATOM 2272 CB ILE B 64 -4.297 10.132 -2.788 1.00 41.20 C ATOM 2273 CG1 ILE B 64 -4.606 9.776 -1.296 1.00 73.13 C ATOM 2274 CG2 ILE B 64 -3.018 9.401 -3.275 1.00 61.32 C ATOM 2275 CD1 ILE B 64 -4.942 8.311 -1.053 1.00 40.01 C ATOM 0 H ILE B 64 -6.182 11.737 -2.365 1.00 43.01 H new ATOM 0 HA ILE B 64 -3.330 12.061 -2.396 1.00 31.31 H new ATOM 0 HB ILE B 64 -5.129 9.788 -3.402 1.00 41.20 H new ATOM 0 HG12 ILE B 64 -3.744 10.044 -0.686 1.00 73.13 H new ATOM 0 HG13 ILE B 64 -5.441 10.389 -0.955 1.00 73.13 H new ATOM 0 HG21 ILE B 64 -3.135 8.327 -3.129 1.00 61.32 H new ATOM 0 HG22 ILE B 64 -2.861 9.608 -4.334 1.00 61.32 H new ATOM 0 HG23 ILE B 64 -2.158 9.753 -2.705 1.00 61.32 H new ATOM 0 HD11 ILE B 64 -5.142 8.155 0.007 1.00 40.01 H new ATOM 0 HD12 ILE B 64 -5.824 8.039 -1.633 1.00 40.01 H new ATOM 0 HD13 ILE B 64 -4.101 7.689 -1.359 1.00 40.01 H new ATOM 2287 N PHE B 65 -2.840 12.814 -4.723 1.00 41.55 N ATOM 2288 CA PHE B 65 -2.381 13.182 -6.084 1.00 2.54 C ATOM 2289 C PHE B 65 -0.963 12.608 -6.327 1.00 13.43 C ATOM 2290 O PHE B 65 -0.006 12.988 -5.644 1.00 74.01 O ATOM 2291 CB PHE B 65 -2.379 14.726 -6.247 1.00 2.40 C ATOM 2292 CG PHE B 65 -1.866 15.217 -7.610 1.00 64.11 C ATOM 2293 CD1 PHE B 65 -2.684 15.185 -8.736 1.00 24.23 C ATOM 2294 CD2 PHE B 65 -0.558 15.699 -7.763 1.00 62.45 C ATOM 2295 CE1 PHE B 65 -2.219 15.616 -9.964 1.00 5.03 C ATOM 2296 CE2 PHE B 65 -0.098 16.126 -8.994 1.00 63.21 C ATOM 2297 CZ PHE B 65 -0.929 16.085 -10.093 1.00 13.40 C ATOM 0 H PHE B 65 -2.259 13.207 -3.982 1.00 41.55 H new ATOM 0 HA PHE B 65 -3.064 12.760 -6.821 1.00 2.54 H new ATOM 0 HB2 PHE B 65 -3.393 15.097 -6.099 1.00 2.40 H new ATOM 0 HB3 PHE B 65 -1.762 15.162 -5.461 1.00 2.40 H new ATOM 0 HD1 PHE B 65 -3.696 14.818 -8.649 1.00 24.23 H new ATOM 0 HD2 PHE B 65 0.099 15.737 -6.907 1.00 62.45 H new ATOM 0 HE1 PHE B 65 -2.869 15.585 -10.826 1.00 5.03 H new ATOM 0 HE2 PHE B 65 0.913 16.492 -9.095 1.00 63.21 H new ATOM 0 HZ PHE B 65 -0.570 16.420 -11.055 1.00 13.40 H new ATOM 2307 N VAL B 66 -0.826 11.700 -7.303 1.00 60.15 N ATOM 2308 CA VAL B 66 0.456 11.001 -7.585 1.00 73.24 C ATOM 2309 C VAL B 66 0.904 11.239 -9.047 1.00 33.11 C ATOM 2310 O VAL B 66 0.068 11.402 -9.937 1.00 32.35 O ATOM 2311 CB VAL B 66 0.326 9.455 -7.314 1.00 35.43 C ATOM 2312 CG1 VAL B 66 1.691 8.740 -7.462 1.00 55.25 C ATOM 2313 CG2 VAL B 66 -0.295 9.177 -5.923 1.00 52.21 C ATOM 0 H VAL B 66 -1.589 11.424 -7.921 1.00 60.15 H new ATOM 0 HA VAL B 66 1.210 11.413 -6.914 1.00 73.24 H new ATOM 0 HB VAL B 66 -0.348 9.048 -8.068 1.00 35.43 H new ATOM 0 HG11 VAL B 66 1.567 7.675 -7.269 1.00 55.25 H new ATOM 0 HG12 VAL B 66 2.069 8.883 -8.474 1.00 55.25 H new ATOM 0 HG13 VAL B 66 2.400 9.158 -6.747 1.00 55.25 H new ATOM 0 HG21 VAL B 66 -0.371 8.101 -5.767 1.00 52.21 H new ATOM 0 HG22 VAL B 66 0.337 9.612 -5.149 1.00 52.21 H new ATOM 0 HG23 VAL B 66 -1.289 9.622 -5.873 1.00 52.21 H new ATOM 2323 N LYS B 67 2.234 11.260 -9.282 1.00 65.31 N ATOM 2324 CA LYS B 67 2.820 11.390 -10.641 1.00 62.44 C ATOM 2325 C LYS B 67 4.120 10.582 -10.725 1.00 14.10 C ATOM 2326 O LYS B 67 4.730 10.309 -9.705 1.00 63.24 O ATOM 2327 CB LYS B 67 3.071 12.888 -11.041 1.00 4.42 C ATOM 2328 CG LYS B 67 3.905 13.747 -10.052 1.00 72.13 C ATOM 2329 CD LYS B 67 3.118 14.170 -8.786 1.00 70.21 C ATOM 2330 CE LYS B 67 3.924 15.094 -7.866 1.00 61.24 C ATOM 2331 NZ LYS B 67 4.308 16.358 -8.541 1.00 51.34 N ATOM 0 H LYS B 67 2.932 11.188 -8.541 1.00 65.31 H new ATOM 0 HA LYS B 67 2.098 10.991 -11.353 1.00 62.44 H new ATOM 0 HB2 LYS B 67 3.572 12.902 -12.009 1.00 4.42 H new ATOM 0 HB3 LYS B 67 2.103 13.370 -11.177 1.00 4.42 H new ATOM 0 HG2 LYS B 67 4.788 13.184 -9.750 1.00 72.13 H new ATOM 0 HG3 LYS B 67 4.257 14.641 -10.567 1.00 72.13 H new ATOM 0 HD2 LYS B 67 2.200 14.675 -9.086 1.00 70.21 H new ATOM 0 HD3 LYS B 67 2.825 13.279 -8.231 1.00 70.21 H new ATOM 0 HE2 LYS B 67 3.336 15.323 -6.977 1.00 61.24 H new ATOM 0 HE3 LYS B 67 4.822 14.576 -7.529 1.00 61.24 H new ATOM 0 HZ1 LYS B 67 4.668 17.032 -7.836 1.00 51.34 H new ATOM 0 HZ2 LYS B 67 5.048 16.164 -9.245 1.00 51.34 H new ATOM 0 HZ3 LYS B 67 3.477 16.765 -9.016 1.00 51.34 H new ATOM 2345 N LEU B 68 4.533 10.194 -11.945 1.00 72.43 N ATOM 2346 CA LEU B 68 5.801 9.451 -12.159 1.00 32.33 C ATOM 2347 C LEU B 68 7.032 10.344 -11.847 1.00 1.03 C ATOM 2348 O LEU B 68 6.948 11.580 -11.917 1.00 1.43 O ATOM 2349 CB LEU B 68 5.895 8.931 -13.622 1.00 53.41 C ATOM 2350 CG LEU B 68 4.698 8.064 -14.137 1.00 33.14 C ATOM 2351 CD1 LEU B 68 4.924 7.600 -15.592 1.00 64.53 C ATOM 2352 CD2 LEU B 68 4.425 6.861 -13.211 1.00 32.12 C ATOM 0 H LEU B 68 4.011 10.380 -12.802 1.00 72.43 H new ATOM 0 HA LEU B 68 5.801 8.601 -11.476 1.00 32.33 H new ATOM 0 HB2 LEU B 68 6.001 9.791 -14.283 1.00 53.41 H new ATOM 0 HB3 LEU B 68 6.807 8.342 -13.716 1.00 53.41 H new ATOM 0 HG LEU B 68 3.812 8.699 -14.121 1.00 33.14 H new ATOM 0 HD11 LEU B 68 4.074 7.000 -15.919 1.00 64.53 H new ATOM 0 HD12 LEU B 68 5.024 8.471 -16.240 1.00 64.53 H new ATOM 0 HD13 LEU B 68 5.833 7.001 -15.646 1.00 64.53 H new ATOM 0 HD21 LEU B 68 3.587 6.284 -13.602 1.00 32.12 H new ATOM 0 HD22 LEU B 68 5.312 6.229 -13.165 1.00 32.12 H new ATOM 0 HD23 LEU B 68 4.183 7.220 -12.211 1.00 32.12 H new ATOM 2364 N VAL B 69 8.170 9.718 -11.498 1.00 52.11 N ATOM 2365 CA VAL B 69 9.448 10.440 -11.318 1.00 51.12 C ATOM 2366 C VAL B 69 10.108 10.692 -12.700 1.00 32.24 C ATOM 2367 O VAL B 69 10.948 9.910 -13.166 1.00 31.21 O ATOM 2368 CB VAL B 69 10.439 9.680 -10.342 1.00 0.22 C ATOM 2369 CG1 VAL B 69 11.760 10.469 -10.116 1.00 71.23 C ATOM 2370 CG2 VAL B 69 9.761 9.380 -8.990 1.00 5.22 C ATOM 0 H VAL B 69 8.233 8.713 -11.334 1.00 52.11 H new ATOM 0 HA VAL B 69 9.227 11.398 -10.847 1.00 51.12 H new ATOM 0 HB VAL B 69 10.695 8.737 -10.825 1.00 0.22 H new ATOM 0 HG11 VAL B 69 12.407 9.909 -9.441 1.00 71.23 H new ATOM 0 HG12 VAL B 69 12.267 10.611 -11.070 1.00 71.23 H new ATOM 0 HG13 VAL B 69 11.533 11.441 -9.678 1.00 71.23 H new ATOM 0 HG21 VAL B 69 10.462 8.858 -8.339 1.00 5.22 H new ATOM 0 HG22 VAL B 69 9.457 10.315 -8.520 1.00 5.22 H new ATOM 0 HG23 VAL B 69 8.884 8.754 -9.154 1.00 5.22 H new