USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 702 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 Single : A 5 ASN : amide:sc= 0 X(o=0,f=-0.039) USER MOD Single : A 9 THR OG1 : rot 77:sc= 0.518 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot -65:sc= 0.981 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.0126 USER MOD Single : A 28 SER OG : rot 64:sc= 1.03 USER MOD Single : A 36 CYS SG : rot -32:sc= 0.0297 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HD1:sc= -0.0128 X(o=-0.013,f=-0.058) USER MOD Single : A 45 LYS NZ :NH3+ -145:sc= -0.725 (180deg=-2.45!) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 52 MET CE :methyl 143:sc= -0.289 (180deg=-3.43!) USER MOD Single : A 59 GLN : amide:sc= -0.336 X(o=-0.34,f=-0.64) USER MOD Single : A 67 THR OG1 : rot -80:sc= 1.27 USER MOD Single : A 68 HIS : no HE2:sc= -0.0687 K(o=-0.069,f=-1.2) USER MOD Single : A 70 THR OG1 : rot -110:sc= -0.2 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -2.57! X(o=-2.6!,f=-2.6) USER MOD ----------------------------------------------------------------- ATOM 56 N ASN A 5 11.631 7.544 -5.853 1.00 22.52 N ATOM 57 CA ASN A 5 11.954 8.741 -6.627 1.00 73.11 C ATOM 58 C ASN A 5 10.973 9.864 -6.309 1.00 10.31 C ATOM 59 O ASN A 5 11.365 11.021 -6.167 1.00 10.11 O ATOM 60 CB ASN A 5 11.943 8.429 -8.128 1.00 53.32 C ATOM 61 CG ASN A 5 12.132 9.665 -8.991 1.00 53.24 C ATOM 62 OD1 ASN A 5 11.163 10.289 -9.418 1.00 40.34 O ATOM 63 ND2 ASN A 5 13.380 10.033 -9.241 1.00 4.12 N ATOM 0 HA ASN A 5 12.956 9.070 -6.350 1.00 73.11 H new ATOM 0 HB2 ASN A 5 12.734 7.712 -8.351 1.00 53.32 H new ATOM 0 HB3 ASN A 5 10.998 7.952 -8.388 1.00 53.32 H new ATOM 0 HD21 ASN A 5 13.564 10.862 -9.807 1.00 4.12 H new ATOM 0 HD22 ASN A 5 14.157 9.488 -8.868 1.00 4.12 H new ATOM 70 N ARG A 6 9.700 9.500 -6.159 1.00 70.34 N ATOM 71 CA ARG A 6 8.653 10.467 -5.836 1.00 45.50 C ATOM 72 C ARG A 6 8.942 11.119 -4.494 1.00 22.34 C ATOM 73 O ARG A 6 8.795 12.329 -4.330 1.00 1.32 O ATOM 74 CB ARG A 6 7.286 9.792 -5.751 1.00 34.52 C ATOM 75 CG ARG A 6 6.968 8.856 -6.898 1.00 35.22 C ATOM 76 CD ARG A 6 5.631 8.169 -6.675 1.00 55.24 C ATOM 77 NE ARG A 6 5.538 7.576 -5.339 1.00 65.22 N ATOM 78 CZ ARG A 6 4.471 6.919 -4.883 1.00 12.53 C ATOM 79 NH1 ARG A 6 3.413 6.728 -5.663 1.00 43.31 N ATOM 80 NH2 ARG A 6 4.463 6.458 -3.639 1.00 11.12 N ATOM 0 H ARG A 6 9.369 8.540 -6.256 1.00 70.34 H new ATOM 0 HA ARG A 6 8.640 11.214 -6.630 1.00 45.50 H new ATOM 0 HB2 ARG A 6 7.230 9.232 -4.817 1.00 34.52 H new ATOM 0 HB3 ARG A 6 6.517 10.564 -5.706 1.00 34.52 H new ATOM 0 HG2 ARG A 6 6.944 9.414 -7.834 1.00 35.22 H new ATOM 0 HG3 ARG A 6 7.755 8.108 -6.993 1.00 35.22 H new ATOM 0 HD2 ARG A 6 4.825 8.891 -6.809 1.00 55.24 H new ATOM 0 HD3 ARG A 6 5.492 7.393 -7.427 1.00 55.24 H new ATOM 0 HE ARG A 6 6.341 7.672 -4.717 1.00 65.22 H new ATOM 0 HH11 ARG A 6 3.413 7.085 -6.619 1.00 43.31 H new ATOM 0 HH12 ARG A 6 2.601 6.224 -5.306 1.00 43.31 H new ATOM 0 HH21 ARG A 6 5.271 6.607 -3.035 1.00 11.12 H new ATOM 0 HH22 ARG A 6 3.649 5.955 -3.287 1.00 11.12 H new ATOM 94 N PHE A 7 9.355 10.294 -3.538 1.00 61.03 N ATOM 95 CA PHE A 7 9.618 10.754 -2.185 1.00 54.10 C ATOM 96 C PHE A 7 10.754 11.768 -2.178 1.00 14.21 C ATOM 97 O PHE A 7 10.667 12.797 -1.515 1.00 1.24 O ATOM 98 CB PHE A 7 9.956 9.567 -1.275 1.00 72.25 C ATOM 99 CG PHE A 7 10.096 9.933 0.177 1.00 31.43 C ATOM 100 CD1 PHE A 7 8.978 10.237 0.940 1.00 52.24 C ATOM 101 CD2 PHE A 7 11.344 9.977 0.778 1.00 4.00 C ATOM 102 CE1 PHE A 7 9.102 10.576 2.274 1.00 13.43 C ATOM 103 CE2 PHE A 7 11.475 10.316 2.112 1.00 61.21 C ATOM 104 CZ PHE A 7 10.353 10.616 2.860 1.00 73.30 C ATOM 0 H PHE A 7 9.515 9.297 -3.680 1.00 61.03 H new ATOM 0 HA PHE A 7 8.720 11.240 -1.804 1.00 54.10 H new ATOM 0 HB2 PHE A 7 9.177 8.811 -1.376 1.00 72.25 H new ATOM 0 HB3 PHE A 7 10.886 9.113 -1.617 1.00 72.25 H new ATOM 0 HD1 PHE A 7 7.999 10.208 0.486 1.00 52.24 H new ATOM 0 HD2 PHE A 7 12.224 9.744 0.198 1.00 4.00 H new ATOM 0 HE1 PHE A 7 8.223 10.809 2.857 1.00 13.43 H new ATOM 0 HE2 PHE A 7 12.453 10.346 2.569 1.00 61.21 H new ATOM 0 HZ PHE A 7 10.453 10.882 3.902 1.00 73.30 H new ATOM 114 N LEU A 8 11.804 11.485 -2.938 1.00 52.30 N ATOM 115 CA LEU A 8 12.943 12.389 -3.024 1.00 12.42 C ATOM 116 C LEU A 8 12.529 13.722 -3.639 1.00 4.34 C ATOM 117 O LEU A 8 12.882 14.785 -3.125 1.00 54.30 O ATOM 118 CB LEU A 8 14.075 11.753 -3.832 1.00 73.45 C ATOM 119 CG LEU A 8 14.673 10.487 -3.218 1.00 4.01 C ATOM 120 CD1 LEU A 8 15.780 9.941 -4.102 1.00 63.33 C ATOM 121 CD2 LEU A 8 15.201 10.769 -1.819 1.00 0.01 C ATOM 0 H LEU A 8 11.890 10.639 -3.502 1.00 52.30 H new ATOM 0 HA LEU A 8 13.306 12.577 -2.013 1.00 12.42 H new ATOM 0 HB2 LEU A 8 13.701 11.514 -4.828 1.00 73.45 H new ATOM 0 HB3 LEU A 8 14.870 12.488 -3.958 1.00 73.45 H new ATOM 0 HG LEU A 8 13.886 9.736 -3.144 1.00 4.01 H new ATOM 0 HD11 LEU A 8 16.195 9.040 -3.651 1.00 63.33 H new ATOM 0 HD12 LEU A 8 15.375 9.701 -5.085 1.00 63.33 H new ATOM 0 HD13 LEU A 8 16.565 10.690 -4.206 1.00 63.33 H new ATOM 0 HD21 LEU A 8 15.623 9.856 -1.398 1.00 0.01 H new ATOM 0 HD22 LEU A 8 15.974 11.536 -1.870 1.00 0.01 H new ATOM 0 HD23 LEU A 8 14.385 11.117 -1.186 1.00 0.01 H new ATOM 133 N THR A 9 11.756 13.663 -4.721 1.00 50.43 N ATOM 134 CA THR A 9 11.233 14.869 -5.352 1.00 11.00 C ATOM 135 C THR A 9 10.337 15.635 -4.376 1.00 63.12 C ATOM 136 O THR A 9 10.338 16.868 -4.341 1.00 22.31 O ATOM 137 CB THR A 9 10.427 14.527 -6.623 1.00 3.51 C ATOM 138 OG1 THR A 9 11.201 13.684 -7.488 1.00 24.21 O ATOM 139 CG2 THR A 9 10.028 15.788 -7.374 1.00 32.31 C ATOM 0 H THR A 9 11.479 12.794 -5.177 1.00 50.43 H new ATOM 0 HA THR A 9 12.083 15.491 -5.632 1.00 11.00 H new ATOM 0 HB THR A 9 9.523 14.003 -6.314 1.00 3.51 H new ATOM 0 HG1 THR A 9 11.202 12.769 -7.138 1.00 24.21 H new ATOM 0 HG21 THR A 9 9.461 15.517 -8.265 1.00 32.31 H new ATOM 0 HG22 THR A 9 9.413 16.416 -6.730 1.00 32.31 H new ATOM 0 HG23 THR A 9 10.924 16.336 -7.666 1.00 32.31 H new ATOM 147 N SER A 10 9.584 14.893 -3.571 1.00 65.42 N ATOM 148 CA SER A 10 8.706 15.488 -2.578 1.00 14.20 C ATOM 149 C SER A 10 9.526 16.181 -1.489 1.00 60.34 C ATOM 150 O SER A 10 9.114 17.212 -0.955 1.00 33.45 O ATOM 151 CB SER A 10 7.793 14.419 -1.972 1.00 14.00 C ATOM 152 OG SER A 10 6.746 15.001 -1.209 1.00 11.13 O ATOM 0 H SER A 10 9.567 13.873 -3.590 1.00 65.42 H new ATOM 0 HA SER A 10 8.083 16.238 -3.064 1.00 14.20 H new ATOM 0 HB2 SER A 10 7.368 13.808 -2.768 1.00 14.00 H new ATOM 0 HB3 SER A 10 8.380 13.754 -1.339 1.00 14.00 H new ATOM 0 HG SER A 10 6.180 14.293 -0.837 1.00 11.13 H new ATOM 158 N ILE A 11 10.688 15.618 -1.165 1.00 41.21 N ATOM 159 CA ILE A 11 11.601 16.245 -0.214 1.00 43.24 C ATOM 160 C ILE A 11 12.113 17.561 -0.788 1.00 34.21 C ATOM 161 O ILE A 11 12.148 18.577 -0.101 1.00 51.11 O ATOM 162 CB ILE A 11 12.801 15.330 0.128 1.00 63.44 C ATOM 163 CG1 ILE A 11 12.320 14.022 0.766 1.00 0.25 C ATOM 164 CG2 ILE A 11 13.782 16.043 1.050 1.00 53.04 C ATOM 165 CD1 ILE A 11 11.509 14.217 2.032 1.00 53.14 C ATOM 0 H ILE A 11 11.018 14.731 -1.546 1.00 41.21 H new ATOM 0 HA ILE A 11 11.046 16.425 0.707 1.00 43.24 H new ATOM 0 HB ILE A 11 13.318 15.091 -0.801 1.00 63.44 H new ATOM 0 HG12 ILE A 11 11.717 13.476 0.041 1.00 0.25 H new ATOM 0 HG13 ILE A 11 13.186 13.400 0.993 1.00 0.25 H new ATOM 0 HG21 ILE A 11 14.617 15.380 1.276 1.00 53.04 H new ATOM 0 HG22 ILE A 11 14.155 16.942 0.559 1.00 53.04 H new ATOM 0 HG23 ILE A 11 13.277 16.319 1.976 1.00 53.04 H new ATOM 0 HD11 ILE A 11 11.206 13.246 2.423 1.00 53.14 H new ATOM 0 HD12 ILE A 11 12.115 14.734 2.776 1.00 53.14 H new ATOM 0 HD13 ILE A 11 10.623 14.811 1.809 1.00 53.14 H new ATOM 177 N VAL A 12 12.501 17.523 -2.058 1.00 21.55 N ATOM 178 CA VAL A 12 12.912 18.720 -2.785 1.00 14.34 C ATOM 179 C VAL A 12 11.834 19.800 -2.700 1.00 13.44 C ATOM 180 O VAL A 12 12.121 20.945 -2.347 1.00 43.23 O ATOM 181 CB VAL A 12 13.198 18.398 -4.268 1.00 35.21 C ATOM 182 CG1 VAL A 12 13.530 19.657 -5.054 1.00 52.52 C ATOM 183 CG2 VAL A 12 14.330 17.391 -4.382 1.00 24.24 C ATOM 0 H VAL A 12 12.540 16.667 -2.611 1.00 21.55 H new ATOM 0 HA VAL A 12 13.827 19.088 -2.321 1.00 14.34 H new ATOM 0 HB VAL A 12 12.294 17.964 -4.696 1.00 35.21 H new ATOM 0 HG11 VAL A 12 13.726 19.396 -6.094 1.00 52.52 H new ATOM 0 HG12 VAL A 12 12.689 20.348 -5.006 1.00 52.52 H new ATOM 0 HG13 VAL A 12 14.414 20.131 -4.626 1.00 52.52 H new ATOM 0 HG21 VAL A 12 14.520 17.174 -5.433 1.00 24.24 H new ATOM 0 HG22 VAL A 12 15.231 17.804 -3.928 1.00 24.24 H new ATOM 0 HG23 VAL A 12 14.052 16.472 -3.866 1.00 24.24 H new ATOM 193 N ALA A 13 10.596 19.421 -3.010 1.00 44.22 N ATOM 194 CA ALA A 13 9.466 20.342 -2.931 1.00 63.42 C ATOM 195 C ALA A 13 9.288 20.859 -1.508 1.00 5.15 C ATOM 196 O ALA A 13 9.066 22.046 -1.292 1.00 60.31 O ATOM 197 CB ALA A 13 8.193 19.663 -3.414 1.00 50.45 C ATOM 0 H ALA A 13 10.350 18.480 -3.319 1.00 44.22 H new ATOM 0 HA ALA A 13 9.673 21.193 -3.579 1.00 63.42 H new ATOM 0 HB1 ALA A 13 7.360 20.363 -3.349 1.00 50.45 H new ATOM 0 HB2 ALA A 13 8.320 19.346 -4.449 1.00 50.45 H new ATOM 0 HB3 ALA A 13 7.986 18.793 -2.791 1.00 50.45 H new ATOM 203 N TRP A 14 9.405 19.954 -0.549 1.00 34.42 N ATOM 204 CA TRP A 14 9.324 20.286 0.871 1.00 42.25 C ATOM 205 C TRP A 14 10.376 21.338 1.244 1.00 70.10 C ATOM 206 O TRP A 14 10.057 22.374 1.840 1.00 3.04 O ATOM 207 CB TRP A 14 9.510 18.986 1.670 1.00 32.24 C ATOM 208 CG TRP A 14 9.602 19.126 3.163 1.00 61.43 C ATOM 209 CD1 TRP A 14 8.840 19.906 3.985 1.00 2.33 C ATOM 210 CD2 TRP A 14 10.503 18.407 4.011 1.00 1.21 C ATOM 211 NE1 TRP A 14 9.227 19.725 5.295 1.00 52.34 N ATOM 212 CE2 TRP A 14 10.248 18.806 5.335 1.00 5.51 C ATOM 213 CE3 TRP A 14 11.506 17.465 3.772 1.00 11.11 C ATOM 214 CZ2 TRP A 14 10.964 18.290 6.419 1.00 42.32 C ATOM 215 CZ3 TRP A 14 12.211 16.952 4.842 1.00 1.43 C ATOM 216 CH2 TRP A 14 11.941 17.363 6.151 1.00 73.14 C ATOM 0 H TRP A 14 9.560 18.962 -0.731 1.00 34.42 H new ATOM 0 HA TRP A 14 8.353 20.722 1.107 1.00 42.25 H new ATOM 0 HB2 TRP A 14 8.677 18.322 1.440 1.00 32.24 H new ATOM 0 HB3 TRP A 14 10.417 18.495 1.317 1.00 32.24 H new ATOM 0 HD1 TRP A 14 8.051 20.567 3.657 1.00 2.33 H new ATOM 0 HE1 TRP A 14 8.822 20.196 6.104 1.00 52.34 H new ATOM 0 HE3 TRP A 14 11.727 17.143 2.765 1.00 11.11 H new ATOM 0 HZ2 TRP A 14 10.756 18.609 7.430 1.00 42.32 H new ATOM 0 HZ3 TRP A 14 12.985 16.220 4.665 1.00 1.43 H new ATOM 0 HH2 TRP A 14 12.512 16.944 6.966 1.00 73.14 H new ATOM 227 N LEU A 15 11.618 21.086 0.847 1.00 2.10 N ATOM 228 CA LEU A 15 12.726 21.978 1.167 1.00 34.45 C ATOM 229 C LEU A 15 12.549 23.351 0.523 1.00 0.13 C ATOM 230 O LEU A 15 12.708 24.375 1.185 1.00 34.54 O ATOM 231 CB LEU A 15 14.059 21.368 0.723 1.00 11.03 C ATOM 232 CG LEU A 15 14.393 20.002 1.328 1.00 31.04 C ATOM 233 CD1 LEU A 15 15.802 19.585 0.948 1.00 61.44 C ATOM 234 CD2 LEU A 15 14.236 20.027 2.842 1.00 64.45 C ATOM 0 H LEU A 15 11.884 20.267 0.300 1.00 2.10 H new ATOM 0 HA LEU A 15 12.733 22.107 2.249 1.00 34.45 H new ATOM 0 HB2 LEU A 15 14.051 21.273 -0.363 1.00 11.03 H new ATOM 0 HB3 LEU A 15 14.859 22.064 0.976 1.00 11.03 H new ATOM 0 HG LEU A 15 13.692 19.270 0.925 1.00 31.04 H new ATOM 0 HD11 LEU A 15 16.024 18.612 1.386 1.00 61.44 H new ATOM 0 HD12 LEU A 15 15.882 19.521 -0.137 1.00 61.44 H new ATOM 0 HD13 LEU A 15 16.513 20.322 1.322 1.00 61.44 H new ATOM 0 HD21 LEU A 15 14.479 19.045 3.249 1.00 64.45 H new ATOM 0 HD22 LEU A 15 14.909 20.772 3.265 1.00 64.45 H new ATOM 0 HD23 LEU A 15 13.207 20.281 3.097 1.00 64.45 H new ATOM 246 N ARG A 16 12.211 23.376 -0.766 1.00 2.41 N ATOM 247 CA ARG A 16 12.047 24.643 -1.470 1.00 31.15 C ATOM 248 C ARG A 16 10.801 25.379 -0.985 1.00 5.31 C ATOM 249 O ARG A 16 10.799 26.601 -0.902 1.00 11.03 O ATOM 250 CB ARG A 16 12.013 24.446 -2.992 1.00 12.41 C ATOM 251 CG ARG A 16 10.914 23.522 -3.489 1.00 75.42 C ATOM 252 CD ARG A 16 10.980 23.340 -4.999 1.00 13.34 C ATOM 253 NE ARG A 16 10.605 24.556 -5.718 1.00 41.44 N ATOM 254 CZ ARG A 16 11.053 24.888 -6.930 1.00 71.15 C ATOM 255 NH1 ARG A 16 11.971 24.143 -7.537 1.00 44.40 N ATOM 256 NH2 ARG A 16 10.591 25.982 -7.522 1.00 61.31 N ATOM 0 H ARG A 16 12.048 22.545 -1.335 1.00 2.41 H new ATOM 0 HA ARG A 16 12.916 25.259 -1.241 1.00 31.15 H new ATOM 0 HB2 ARG A 16 11.893 25.419 -3.468 1.00 12.41 H new ATOM 0 HB3 ARG A 16 12.976 24.050 -3.315 1.00 12.41 H new ATOM 0 HG2 ARG A 16 11.004 22.552 -3.000 1.00 75.42 H new ATOM 0 HG3 ARG A 16 9.942 23.930 -3.213 1.00 75.42 H new ATOM 0 HD2 ARG A 16 11.991 23.048 -5.284 1.00 13.34 H new ATOM 0 HD3 ARG A 16 10.318 22.526 -5.295 1.00 13.34 H new ATOM 0 HE ARG A 16 9.955 25.196 -5.261 1.00 41.44 H new ATOM 0 HH11 ARG A 16 12.338 23.310 -7.076 1.00 44.40 H new ATOM 0 HH12 ARG A 16 12.308 24.404 -8.464 1.00 44.40 H new ATOM 0 HH21 ARG A 16 9.898 26.563 -7.050 1.00 61.31 H new ATOM 0 HH22 ARG A 16 10.929 26.242 -8.449 1.00 61.31 H new ATOM 270 N ALA A 17 9.754 24.639 -0.638 1.00 2.12 N ATOM 271 CA ALA A 17 8.559 25.248 -0.064 1.00 33.54 C ATOM 272 C ALA A 17 8.883 25.829 1.305 1.00 24.54 C ATOM 273 O ALA A 17 8.256 26.792 1.754 1.00 1.33 O ATOM 274 CB ALA A 17 7.426 24.240 0.040 1.00 34.13 C ATOM 0 H ALA A 17 9.707 23.625 -0.743 1.00 2.12 H new ATOM 0 HA ALA A 17 8.230 26.051 -0.724 1.00 33.54 H new ATOM 0 HB1 ALA A 17 6.549 24.722 0.471 1.00 34.13 H new ATOM 0 HB2 ALA A 17 7.182 23.863 -0.953 1.00 34.13 H new ATOM 0 HB3 ALA A 17 7.734 23.411 0.677 1.00 34.13 H new ATOM 280 N GLY A 18 9.858 25.219 1.973 1.00 51.14 N ATOM 281 CA GLY A 18 10.363 25.761 3.216 1.00 30.22 C ATOM 282 C GLY A 18 11.084 27.086 3.028 1.00 44.24 C ATOM 283 O GLY A 18 11.074 27.929 3.925 1.00 11.14 O ATOM 0 H GLY A 18 10.307 24.355 1.671 1.00 51.14 H new ATOM 0 HA2 GLY A 18 9.535 25.898 3.911 1.00 30.22 H new ATOM 0 HA3 GLY A 18 11.045 25.042 3.671 1.00 30.22 H new ATOM 287 N TYR A 19 11.693 27.276 1.859 1.00 34.05 N ATOM 288 CA TYR A 19 12.451 28.492 1.573 1.00 45.12 C ATOM 289 C TYR A 19 12.231 28.940 0.130 1.00 10.22 C ATOM 290 O TYR A 19 13.115 28.797 -0.717 1.00 41.13 O ATOM 291 CB TYR A 19 13.947 28.279 1.831 1.00 74.13 C ATOM 292 CG TYR A 19 14.303 28.154 3.296 1.00 10.41 C ATOM 293 CD1 TYR A 19 14.425 29.286 4.090 1.00 25.43 C ATOM 294 CD2 TYR A 19 14.510 26.912 3.885 1.00 61.34 C ATOM 295 CE1 TYR A 19 14.744 29.187 5.429 1.00 22.44 C ATOM 296 CE2 TYR A 19 14.827 26.803 5.227 1.00 73.24 C ATOM 297 CZ TYR A 19 14.945 27.946 5.994 1.00 34.14 C ATOM 298 OH TYR A 19 15.254 27.849 7.334 1.00 52.11 O ATOM 0 H TYR A 19 11.676 26.602 1.094 1.00 34.05 H new ATOM 0 HA TYR A 19 12.090 29.273 2.242 1.00 45.12 H new ATOM 0 HB2 TYR A 19 14.271 27.378 1.310 1.00 74.13 H new ATOM 0 HB3 TYR A 19 14.502 29.113 1.402 1.00 74.13 H new ATOM 0 HD1 TYR A 19 14.268 30.261 3.652 1.00 25.43 H new ATOM 0 HD2 TYR A 19 14.422 26.018 3.285 1.00 61.34 H new ATOM 0 HE1 TYR A 19 14.836 30.078 6.032 1.00 22.44 H new ATOM 0 HE2 TYR A 19 14.981 25.831 5.672 1.00 73.24 H new ATOM 0 HH TYR A 19 16.129 28.260 7.499 1.00 52.11 H new ATOM 308 N PRO A 20 11.041 29.486 -0.174 1.00 2.25 N ATOM 309 CA PRO A 20 10.679 29.878 -1.540 1.00 33.00 C ATOM 310 C PRO A 20 11.421 31.128 -2.004 1.00 63.40 C ATOM 311 O PRO A 20 11.408 31.474 -3.186 1.00 22.41 O ATOM 312 CB PRO A 20 9.175 30.146 -1.446 1.00 62.04 C ATOM 313 CG PRO A 20 8.946 30.526 -0.023 1.00 43.04 C ATOM 314 CD PRO A 20 9.955 29.756 0.785 1.00 11.52 C ATOM 0 HA PRO A 20 10.943 29.110 -2.267 1.00 33.00 H new ATOM 0 HB2 PRO A 20 8.872 30.945 -2.123 1.00 62.04 H new ATOM 0 HB3 PRO A 20 8.598 29.262 -1.718 1.00 62.04 H new ATOM 0 HG2 PRO A 20 9.072 31.599 0.118 1.00 43.04 H new ATOM 0 HG3 PRO A 20 7.930 30.281 0.287 1.00 43.04 H new ATOM 0 HD2 PRO A 20 10.309 30.334 1.638 1.00 11.52 H new ATOM 0 HD3 PRO A 20 9.531 28.833 1.180 1.00 11.52 H new ATOM 322 N GLU A 21 12.068 31.798 -1.062 1.00 2.11 N ATOM 323 CA GLU A 21 12.815 33.010 -1.358 1.00 73.24 C ATOM 324 C GLU A 21 14.296 32.690 -1.522 1.00 20.44 C ATOM 325 O GLU A 21 15.116 33.579 -1.753 1.00 40.30 O ATOM 326 CB GLU A 21 12.617 34.032 -0.238 1.00 43.24 C ATOM 327 CG GLU A 21 11.156 34.313 0.067 1.00 22.23 C ATOM 328 CD GLU A 21 10.973 35.377 1.127 1.00 20.12 C ATOM 329 OE1 GLU A 21 10.976 35.035 2.328 1.00 52.40 O ATOM 330 OE2 GLU A 21 10.811 36.558 0.760 1.00 51.00 O ATOM 0 H GLU A 21 12.090 31.520 -0.081 1.00 2.11 H new ATOM 0 HA GLU A 21 12.445 33.433 -2.292 1.00 73.24 H new ATOM 0 HB2 GLU A 21 13.107 33.670 0.666 1.00 43.24 H new ATOM 0 HB3 GLU A 21 13.109 34.964 -0.515 1.00 43.24 H new ATOM 0 HG2 GLU A 21 10.652 34.627 -0.847 1.00 22.23 H new ATOM 0 HG3 GLU A 21 10.674 33.392 0.396 1.00 22.23 H new ATOM 337 N GLY A 22 14.625 31.413 -1.411 1.00 34.52 N ATOM 338 CA GLY A 22 16.004 30.991 -1.496 1.00 33.44 C ATOM 339 C GLY A 22 16.468 30.362 -0.203 1.00 53.53 C ATOM 340 O GLY A 22 16.043 30.769 0.878 1.00 11.30 O ATOM 0 H GLY A 22 13.956 30.658 -1.263 1.00 34.52 H new ATOM 0 HA2 GLY A 22 16.118 30.277 -2.311 1.00 33.44 H new ATOM 0 HA3 GLY A 22 16.635 31.848 -1.732 1.00 33.44 H new ATOM 344 N ILE A 23 17.329 29.364 -0.310 1.00 21.02 N ATOM 345 CA ILE A 23 17.830 28.666 0.862 1.00 2.44 C ATOM 346 C ILE A 23 19.132 29.310 1.323 1.00 35.10 C ATOM 347 O ILE A 23 20.129 29.291 0.598 1.00 4.14 O ATOM 348 CB ILE A 23 18.072 27.158 0.592 1.00 73.03 C ATOM 349 CG1 ILE A 23 16.822 26.478 0.016 1.00 44.05 C ATOM 350 CG2 ILE A 23 18.503 26.454 1.870 1.00 11.14 C ATOM 351 CD1 ILE A 23 16.638 26.684 -1.476 1.00 33.31 C ATOM 0 H ILE A 23 17.696 29.019 -1.197 1.00 21.02 H new ATOM 0 HA ILE A 23 17.068 28.745 1.638 1.00 2.44 H new ATOM 0 HB ILE A 23 18.868 27.081 -0.148 1.00 73.03 H new ATOM 0 HG12 ILE A 23 16.876 25.409 0.221 1.00 44.05 H new ATOM 0 HG13 ILE A 23 15.942 26.858 0.536 1.00 44.05 H new ATOM 0 HG21 ILE A 23 18.669 25.396 1.665 1.00 11.14 H new ATOM 0 HG22 ILE A 23 19.426 26.901 2.238 1.00 11.14 H new ATOM 0 HG23 ILE A 23 17.723 26.559 2.624 1.00 11.14 H new ATOM 0 HD11 ILE A 23 15.733 26.173 -1.805 1.00 33.31 H new ATOM 0 HD12 ILE A 23 16.550 27.750 -1.688 1.00 33.31 H new ATOM 0 HD13 ILE A 23 17.498 26.278 -2.008 1.00 33.31 H new ATOM 363 N PRO A 24 19.131 29.918 2.517 1.00 3.32 N ATOM 364 CA PRO A 24 20.314 30.581 3.067 1.00 71.45 C ATOM 365 C PRO A 24 21.423 29.589 3.417 1.00 31.25 C ATOM 366 O PRO A 24 21.155 28.421 3.718 1.00 10.15 O ATOM 367 CB PRO A 24 19.795 31.278 4.334 1.00 34.22 C ATOM 368 CG PRO A 24 18.306 31.240 4.232 1.00 32.44 C ATOM 369 CD PRO A 24 17.978 30.020 3.422 1.00 74.45 C ATOM 0 HA PRO A 24 20.760 31.268 2.348 1.00 71.45 H new ATOM 0 HB2 PRO A 24 20.140 30.766 5.232 1.00 34.22 H new ATOM 0 HB3 PRO A 24 20.158 32.304 4.393 1.00 34.22 H new ATOM 0 HG2 PRO A 24 17.848 31.187 5.220 1.00 32.44 H new ATOM 0 HG3 PRO A 24 17.925 32.141 3.752 1.00 32.44 H new ATOM 0 HD2 PRO A 24 17.874 29.134 4.048 1.00 74.45 H new ATOM 0 HD3 PRO A 24 17.042 30.136 2.875 1.00 74.45 H new ATOM 377 N PRO A 25 22.683 30.056 3.384 1.00 35.02 N ATOM 378 CA PRO A 25 23.862 29.207 3.610 1.00 12.04 C ATOM 379 C PRO A 25 23.826 28.489 4.954 1.00 11.40 C ATOM 380 O PRO A 25 24.021 27.278 5.021 1.00 22.20 O ATOM 381 CB PRO A 25 25.033 30.192 3.568 1.00 2.20 C ATOM 382 CG PRO A 25 24.524 31.371 2.814 1.00 24.32 C ATOM 383 CD PRO A 25 23.058 31.456 3.115 1.00 72.20 C ATOM 0 HA PRO A 25 23.926 28.412 2.867 1.00 12.04 H new ATOM 0 HB2 PRO A 25 25.347 30.473 4.573 1.00 2.20 H new ATOM 0 HB3 PRO A 25 25.900 29.753 3.074 1.00 2.20 H new ATOM 0 HG2 PRO A 25 25.038 32.282 3.121 1.00 24.32 H new ATOM 0 HG3 PRO A 25 24.696 31.253 1.744 1.00 24.32 H new ATOM 0 HD2 PRO A 25 22.861 32.097 3.974 1.00 72.20 H new ATOM 0 HD3 PRO A 25 22.498 31.868 2.275 1.00 72.20 H new ATOM 391 N THR A 26 23.572 29.240 6.019 1.00 51.12 N ATOM 392 CA THR A 26 23.518 28.678 7.360 1.00 71.04 C ATOM 393 C THR A 26 22.460 27.588 7.459 1.00 51.20 C ATOM 394 O THR A 26 22.759 26.452 7.826 1.00 74.44 O ATOM 395 CB THR A 26 23.215 29.772 8.400 1.00 21.22 C ATOM 396 OG1 THR A 26 22.189 30.643 7.901 1.00 52.23 O ATOM 397 CG2 THR A 26 24.462 30.581 8.721 1.00 51.12 C ATOM 0 H THR A 26 23.400 30.244 5.978 1.00 51.12 H new ATOM 0 HA THR A 26 24.496 28.242 7.567 1.00 71.04 H new ATOM 0 HB THR A 26 22.874 29.289 9.316 1.00 21.22 H new ATOM 0 HG1 THR A 26 21.997 31.337 8.566 1.00 52.23 H new ATOM 0 HG21 THR A 26 24.219 31.347 9.458 1.00 51.12 H new ATOM 0 HG22 THR A 26 25.231 29.921 9.123 1.00 51.12 H new ATOM 0 HG23 THR A 26 24.831 31.056 7.812 1.00 51.12 H new ATOM 405 N ASP A 27 21.241 27.938 7.065 1.00 40.23 N ATOM 406 CA ASP A 27 20.083 27.063 7.219 1.00 64.21 C ATOM 407 C ASP A 27 20.246 25.768 6.434 1.00 23.45 C ATOM 408 O ASP A 27 19.607 24.766 6.740 1.00 13.20 O ATOM 409 CB ASP A 27 18.813 27.787 6.765 1.00 62.14 C ATOM 410 CG ASP A 27 18.603 29.107 7.484 1.00 1.21 C ATOM 411 OD1 ASP A 27 19.419 30.035 7.282 1.00 22.33 O ATOM 412 OD2 ASP A 27 17.621 29.230 8.247 1.00 12.42 O ATOM 0 H ASP A 27 21.027 28.835 6.630 1.00 40.23 H new ATOM 0 HA ASP A 27 20.002 26.807 8.275 1.00 64.21 H new ATOM 0 HB2 ASP A 27 18.866 27.967 5.691 1.00 62.14 H new ATOM 0 HB3 ASP A 27 17.951 27.143 6.938 1.00 62.14 H new ATOM 417 N SER A 28 21.104 25.790 5.421 1.00 54.23 N ATOM 418 CA SER A 28 21.385 24.596 4.636 1.00 53.34 C ATOM 419 C SER A 28 22.056 23.528 5.503 1.00 42.43 C ATOM 420 O SER A 28 21.814 22.331 5.338 1.00 42.13 O ATOM 421 CB SER A 28 22.272 24.946 3.443 1.00 4.45 C ATOM 422 OG SER A 28 21.655 25.921 2.619 1.00 12.42 O ATOM 0 H SER A 28 21.616 26.621 5.125 1.00 54.23 H new ATOM 0 HA SER A 28 20.442 24.195 4.266 1.00 53.34 H new ATOM 0 HB2 SER A 28 23.233 25.319 3.797 1.00 4.45 H new ATOM 0 HB3 SER A 28 22.474 24.048 2.860 1.00 4.45 H new ATOM 0 HG SER A 28 21.550 26.755 3.122 1.00 12.42 H new ATOM 428 N PHE A 29 22.881 23.975 6.444 1.00 42.55 N ATOM 429 CA PHE A 29 23.551 23.071 7.369 1.00 4.12 C ATOM 430 C PHE A 29 22.536 22.526 8.367 1.00 35.43 C ATOM 431 O PHE A 29 22.619 21.374 8.798 1.00 12.15 O ATOM 432 CB PHE A 29 24.687 23.789 8.108 1.00 33.34 C ATOM 433 CG PHE A 29 25.854 24.188 7.236 1.00 34.33 C ATOM 434 CD1 PHE A 29 25.680 25.050 6.167 1.00 24.54 C ATOM 435 CD2 PHE A 29 27.128 23.710 7.499 1.00 60.53 C ATOM 436 CE1 PHE A 29 26.748 25.426 5.377 1.00 25.20 C ATOM 437 CE2 PHE A 29 28.201 24.087 6.714 1.00 42.44 C ATOM 438 CZ PHE A 29 28.010 24.946 5.652 1.00 14.20 C ATOM 0 H PHE A 29 23.101 24.961 6.585 1.00 42.55 H new ATOM 0 HA PHE A 29 23.985 22.247 6.803 1.00 4.12 H new ATOM 0 HB2 PHE A 29 24.284 24.683 8.584 1.00 33.34 H new ATOM 0 HB3 PHE A 29 25.051 23.140 8.904 1.00 33.34 H new ATOM 0 HD1 PHE A 29 24.695 25.434 5.948 1.00 24.54 H new ATOM 0 HD2 PHE A 29 27.284 23.035 8.327 1.00 60.53 H new ATOM 0 HE1 PHE A 29 26.594 26.096 4.544 1.00 25.20 H new ATOM 0 HE2 PHE A 29 29.189 23.709 6.932 1.00 42.44 H new ATOM 0 HZ PHE A 29 28.847 25.242 5.037 1.00 14.20 H new ATOM 448 N ALA A 30 21.575 23.369 8.724 1.00 14.21 N ATOM 449 CA ALA A 30 20.469 22.963 9.578 1.00 35.22 C ATOM 450 C ALA A 30 19.614 21.916 8.878 1.00 13.34 C ATOM 451 O ALA A 30 19.203 20.924 9.488 1.00 31.42 O ATOM 452 CB ALA A 30 19.629 24.168 9.958 1.00 43.15 C ATOM 0 H ALA A 30 21.541 24.346 8.432 1.00 14.21 H new ATOM 0 HA ALA A 30 20.875 22.522 10.488 1.00 35.22 H new ATOM 0 HB1 ALA A 30 18.805 23.850 10.597 1.00 43.15 H new ATOM 0 HB2 ALA A 30 20.247 24.888 10.494 1.00 43.15 H new ATOM 0 HB3 ALA A 30 19.230 24.633 9.056 1.00 43.15 H new ATOM 458 N VAL A 31 19.348 22.144 7.591 1.00 22.11 N ATOM 459 CA VAL A 31 18.656 21.164 6.761 1.00 35.35 C ATOM 460 C VAL A 31 19.403 19.840 6.808 1.00 24.34 C ATOM 461 O VAL A 31 18.805 18.789 7.025 1.00 23.22 O ATOM 462 CB VAL A 31 18.535 21.626 5.288 1.00 1.31 C ATOM 463 CG1 VAL A 31 17.941 20.525 4.419 1.00 65.31 C ATOM 464 CG2 VAL A 31 17.694 22.888 5.182 1.00 4.31 C ATOM 0 H VAL A 31 19.603 23.002 7.102 1.00 22.11 H new ATOM 0 HA VAL A 31 17.648 21.051 7.160 1.00 35.35 H new ATOM 0 HB VAL A 31 19.539 21.848 4.927 1.00 1.31 H new ATOM 0 HG11 VAL A 31 17.867 20.875 3.389 1.00 65.31 H new ATOM 0 HG12 VAL A 31 18.583 19.645 4.458 1.00 65.31 H new ATOM 0 HG13 VAL A 31 16.948 20.267 4.787 1.00 65.31 H new ATOM 0 HG21 VAL A 31 17.624 23.192 4.138 1.00 4.31 H new ATOM 0 HG22 VAL A 31 16.695 22.693 5.571 1.00 4.31 H new ATOM 0 HG23 VAL A 31 18.159 23.685 5.762 1.00 4.31 H new ATOM 474 N LEU A 32 20.717 19.910 6.623 1.00 10.50 N ATOM 475 CA LEU A 32 21.575 18.733 6.712 1.00 25.41 C ATOM 476 C LEU A 32 21.365 17.999 8.034 1.00 40.04 C ATOM 477 O LEU A 32 21.129 16.790 8.052 1.00 73.03 O ATOM 478 CB LEU A 32 23.042 19.161 6.581 1.00 30.42 C ATOM 479 CG LEU A 32 24.073 18.206 7.190 1.00 42.24 C ATOM 480 CD1 LEU A 32 24.117 16.890 6.427 1.00 63.55 C ATOM 481 CD2 LEU A 32 25.444 18.861 7.221 1.00 45.32 C ATOM 0 H LEU A 32 21.214 20.775 6.409 1.00 10.50 H new ATOM 0 HA LEU A 32 21.315 18.052 5.902 1.00 25.41 H new ATOM 0 HB2 LEU A 32 23.271 19.286 5.523 1.00 30.42 H new ATOM 0 HB3 LEU A 32 23.159 20.138 7.050 1.00 30.42 H new ATOM 0 HG LEU A 32 23.772 17.985 8.214 1.00 42.24 H new ATOM 0 HD11 LEU A 32 24.857 16.231 6.881 1.00 63.55 H new ATOM 0 HD12 LEU A 32 23.137 16.415 6.464 1.00 63.55 H new ATOM 0 HD13 LEU A 32 24.389 17.080 5.389 1.00 63.55 H new ATOM 0 HD21 LEU A 32 26.167 18.171 7.656 1.00 45.32 H new ATOM 0 HD22 LEU A 32 25.749 19.114 6.206 1.00 45.32 H new ATOM 0 HD23 LEU A 32 25.400 19.768 7.823 1.00 45.32 H new ATOM 493 N ALA A 33 21.402 18.747 9.132 1.00 25.31 N ATOM 494 CA ALA A 33 21.289 18.162 10.462 1.00 12.22 C ATOM 495 C ALA A 33 19.973 17.412 10.634 1.00 4.10 C ATOM 496 O ALA A 33 19.961 16.245 11.029 1.00 40.14 O ATOM 497 CB ALA A 33 21.427 19.241 11.528 1.00 3.22 C ATOM 0 H ALA A 33 21.510 19.761 9.126 1.00 25.31 H new ATOM 0 HA ALA A 33 22.099 17.442 10.578 1.00 12.22 H new ATOM 0 HB1 ALA A 33 21.340 18.789 12.516 1.00 3.22 H new ATOM 0 HB2 ALA A 33 22.400 19.724 11.433 1.00 3.22 H new ATOM 0 HB3 ALA A 33 20.640 19.983 11.398 1.00 3.22 H new ATOM 503 N LEU A 34 18.870 18.084 10.323 1.00 53.14 N ATOM 504 CA LEU A 34 17.549 17.505 10.516 1.00 63.15 C ATOM 505 C LEU A 34 17.267 16.397 9.498 1.00 74.13 C ATOM 506 O LEU A 34 16.809 15.315 9.868 1.00 75.13 O ATOM 507 CB LEU A 34 16.472 18.590 10.412 1.00 2.44 C ATOM 508 CG LEU A 34 15.466 18.619 11.569 1.00 20.15 C ATOM 509 CD1 LEU A 34 14.861 17.244 11.799 1.00 40.53 C ATOM 510 CD2 LEU A 34 16.126 19.128 12.840 1.00 2.14 C ATOM 0 H LEU A 34 18.866 19.028 9.937 1.00 53.14 H new ATOM 0 HA LEU A 34 17.525 17.065 11.513 1.00 63.15 H new ATOM 0 HB2 LEU A 34 16.962 19.562 10.352 1.00 2.44 H new ATOM 0 HB3 LEU A 34 15.926 18.450 9.479 1.00 2.44 H new ATOM 0 HG LEU A 34 14.662 19.303 11.298 1.00 20.15 H new ATOM 0 HD11 LEU A 34 14.151 17.292 12.625 1.00 40.53 H new ATOM 0 HD12 LEU A 34 14.345 16.918 10.896 1.00 40.53 H new ATOM 0 HD13 LEU A 34 15.652 16.534 12.042 1.00 40.53 H new ATOM 0 HD21 LEU A 34 15.396 19.141 13.649 1.00 2.14 H new ATOM 0 HD22 LEU A 34 16.953 18.471 13.109 1.00 2.14 H new ATOM 0 HD23 LEU A 34 16.503 20.137 12.675 1.00 2.14 H new ATOM 522 N LEU A 35 17.556 16.657 8.232 1.00 33.13 N ATOM 523 CA LEU A 35 17.211 15.723 7.166 1.00 40.52 C ATOM 524 C LEU A 35 18.030 14.441 7.273 1.00 5.24 C ATOM 525 O LEU A 35 17.524 13.353 6.990 1.00 72.35 O ATOM 526 CB LEU A 35 17.411 16.371 5.791 1.00 55.52 C ATOM 527 CG LEU A 35 16.849 15.581 4.604 1.00 3.21 C ATOM 528 CD1 LEU A 35 15.388 15.237 4.834 1.00 51.22 C ATOM 529 CD2 LEU A 35 17.002 16.379 3.319 1.00 64.40 C ATOM 0 H LEU A 35 18.027 17.504 7.916 1.00 33.13 H new ATOM 0 HA LEU A 35 16.158 15.464 7.278 1.00 40.52 H new ATOM 0 HB2 LEU A 35 16.947 17.357 5.802 1.00 55.52 H new ATOM 0 HB3 LEU A 35 18.479 16.523 5.632 1.00 55.52 H new ATOM 0 HG LEU A 35 17.413 14.653 4.512 1.00 3.21 H new ATOM 0 HD11 LEU A 35 15.007 14.676 3.980 1.00 51.22 H new ATOM 0 HD12 LEU A 35 15.294 14.632 5.736 1.00 51.22 H new ATOM 0 HD13 LEU A 35 14.812 16.155 4.951 1.00 51.22 H new ATOM 0 HD21 LEU A 35 16.599 15.806 2.484 1.00 64.40 H new ATOM 0 HD22 LEU A 35 16.460 17.320 3.408 1.00 64.40 H new ATOM 0 HD23 LEU A 35 18.058 16.584 3.142 1.00 64.40 H new ATOM 541 N CYS A 36 19.282 14.566 7.717 1.00 33.14 N ATOM 542 CA CYS A 36 20.163 13.408 7.846 1.00 11.42 C ATOM 543 C CYS A 36 19.650 12.435 8.910 1.00 12.21 C ATOM 544 O CYS A 36 20.075 11.280 8.967 1.00 70.34 O ATOM 545 CB CYS A 36 21.590 13.860 8.178 1.00 4.50 C ATOM 546 SG CYS A 36 22.835 12.553 8.062 1.00 54.32 S ATOM 0 H CYS A 36 19.705 15.453 7.991 1.00 33.14 H new ATOM 0 HA CYS A 36 20.172 12.884 6.890 1.00 11.42 H new ATOM 0 HB2 CYS A 36 21.868 14.670 7.503 1.00 4.50 H new ATOM 0 HB3 CYS A 36 21.603 14.268 9.189 1.00 4.50 H new ATOM 0 HG CYS A 36 22.298 11.412 8.379 1.00 54.32 H new ATOM 552 N ARG A 37 18.713 12.896 9.738 1.00 51.20 N ATOM 553 CA ARG A 37 18.144 12.057 10.787 1.00 34.43 C ATOM 554 C ARG A 37 17.192 11.015 10.201 1.00 14.35 C ATOM 555 O ARG A 37 16.799 10.068 10.886 1.00 42.53 O ATOM 556 CB ARG A 37 17.421 12.906 11.834 1.00 32.30 C ATOM 557 CG ARG A 37 18.320 13.930 12.505 1.00 43.23 C ATOM 558 CD ARG A 37 17.642 14.573 13.703 1.00 5.05 C ATOM 559 NE ARG A 37 17.358 13.595 14.751 1.00 43.43 N ATOM 560 CZ ARG A 37 18.083 13.465 15.862 1.00 2.44 C ATOM 561 NH1 ARG A 37 19.099 14.287 16.101 1.00 61.42 N ATOM 562 NH2 ARG A 37 17.787 12.517 16.739 1.00 55.24 N ATOM 0 H ARG A 37 18.334 13.842 9.702 1.00 51.20 H new ATOM 0 HA ARG A 37 18.967 11.534 11.275 1.00 34.43 H new ATOM 0 HB2 ARG A 37 16.586 13.422 11.359 1.00 32.30 H new ATOM 0 HB3 ARG A 37 16.999 12.250 12.595 1.00 32.30 H new ATOM 0 HG2 ARG A 37 19.244 13.449 12.825 1.00 43.23 H new ATOM 0 HG3 ARG A 37 18.594 14.701 11.785 1.00 43.23 H new ATOM 0 HD2 ARG A 37 18.280 15.361 14.103 1.00 5.05 H new ATOM 0 HD3 ARG A 37 16.713 15.046 13.385 1.00 5.05 H new ATOM 0 HE ARG A 37 16.558 12.975 14.625 1.00 43.43 H new ATOM 0 HH11 ARG A 37 19.328 15.023 15.433 1.00 61.42 H new ATOM 0 HH12 ARG A 37 19.650 14.182 16.953 1.00 61.42 H new ATOM 0 HH21 ARG A 37 17.004 11.887 16.564 1.00 55.24 H new ATOM 0 HH22 ARG A 37 18.342 12.417 17.589 1.00 55.24 H new ATOM 576 N ARG A 38 16.812 11.193 8.940 1.00 2.53 N ATOM 577 CA ARG A 38 16.032 10.183 8.234 1.00 2.05 C ATOM 578 C ARG A 38 16.746 9.758 6.958 1.00 61.41 C ATOM 579 O ARG A 38 16.896 8.565 6.682 1.00 11.31 O ATOM 580 CB ARG A 38 14.616 10.669 7.893 1.00 23.14 C ATOM 581 CG ARG A 38 13.831 9.620 7.114 1.00 24.55 C ATOM 582 CD ARG A 38 12.365 9.974 6.953 1.00 5.44 C ATOM 583 NE ARG A 38 11.677 8.995 6.111 1.00 52.14 N ATOM 584 CZ ARG A 38 10.426 8.574 6.301 1.00 24.15 C ATOM 585 NH1 ARG A 38 9.721 8.992 7.348 1.00 53.54 N ATOM 586 NH2 ARG A 38 9.889 7.706 5.454 1.00 25.01 N ATOM 0 H ARG A 38 17.030 12.023 8.388 1.00 2.53 H new ATOM 0 HA ARG A 38 15.937 9.331 8.907 1.00 2.05 H new ATOM 0 HB2 ARG A 38 14.084 10.913 8.813 1.00 23.14 H new ATOM 0 HB3 ARG A 38 14.677 11.586 7.307 1.00 23.14 H new ATOM 0 HG2 ARG A 38 14.279 9.497 6.128 1.00 24.55 H new ATOM 0 HG3 ARG A 38 13.913 8.660 7.624 1.00 24.55 H new ATOM 0 HD2 ARG A 38 11.888 10.015 7.932 1.00 5.44 H new ATOM 0 HD3 ARG A 38 12.274 10.966 6.512 1.00 5.44 H new ATOM 0 HE ARG A 38 12.192 8.606 5.321 1.00 52.14 H new ATOM 0 HH11 ARG A 38 10.136 9.641 8.016 1.00 53.54 H new ATOM 0 HH12 ARG A 38 8.765 8.663 7.483 1.00 53.54 H new ATOM 0 HH21 ARG A 38 10.433 7.364 4.662 1.00 25.01 H new ATOM 0 HH22 ARG A 38 8.933 7.381 5.595 1.00 25.01 H new ATOM 600 N LEU A 39 17.194 10.737 6.193 1.00 65.23 N ATOM 601 CA LEU A 39 17.848 10.479 4.923 1.00 20.15 C ATOM 602 C LEU A 39 19.339 10.757 5.039 1.00 65.21 C ATOM 603 O LEU A 39 19.743 11.798 5.544 1.00 43.15 O ATOM 604 CB LEU A 39 17.223 11.349 3.832 1.00 10.31 C ATOM 605 CG LEU A 39 15.749 11.059 3.539 1.00 51.21 C ATOM 606 CD1 LEU A 39 15.193 12.067 2.547 1.00 2.22 C ATOM 607 CD2 LEU A 39 15.577 9.643 3.010 1.00 20.33 C ATOM 0 H LEU A 39 17.116 11.726 6.432 1.00 65.23 H new ATOM 0 HA LEU A 39 17.712 9.431 4.655 1.00 20.15 H new ATOM 0 HB2 LEU A 39 17.321 12.395 4.122 1.00 10.31 H new ATOM 0 HB3 LEU A 39 17.793 11.218 2.912 1.00 10.31 H new ATOM 0 HG LEU A 39 15.191 11.149 4.471 1.00 51.21 H new ATOM 0 HD11 LEU A 39 14.144 11.844 2.351 1.00 2.22 H new ATOM 0 HD12 LEU A 39 15.280 13.071 2.962 1.00 2.22 H new ATOM 0 HD13 LEU A 39 15.756 12.009 1.615 1.00 2.22 H new ATOM 0 HD21 LEU A 39 14.522 9.456 2.808 1.00 20.33 H new ATOM 0 HD22 LEU A 39 16.149 9.526 2.090 1.00 20.33 H new ATOM 0 HD23 LEU A 39 15.936 8.931 3.753 1.00 20.33 H new ATOM 619 N SER A 40 20.148 9.826 4.573 1.00 0.33 N ATOM 620 CA SER A 40 21.589 9.925 4.710 1.00 2.24 C ATOM 621 C SER A 40 22.173 10.913 3.699 1.00 60.02 C ATOM 622 O SER A 40 21.448 11.462 2.863 1.00 20.13 O ATOM 623 CB SER A 40 22.210 8.542 4.536 1.00 31.30 C ATOM 624 OG SER A 40 21.631 7.616 5.443 1.00 44.04 O ATOM 0 H SER A 40 19.829 8.985 4.092 1.00 0.33 H new ATOM 0 HA SER A 40 21.823 10.301 5.706 1.00 2.24 H new ATOM 0 HB2 SER A 40 22.062 8.197 3.512 1.00 31.30 H new ATOM 0 HB3 SER A 40 23.286 8.597 4.702 1.00 31.30 H new ATOM 0 HG SER A 40 22.040 6.734 5.316 1.00 44.04 H new ATOM 630 N HIS A 41 23.487 11.135 3.776 1.00 13.31 N ATOM 631 CA HIS A 41 24.152 12.119 2.921 1.00 75.25 C ATOM 632 C HIS A 41 24.008 11.788 1.439 1.00 41.11 C ATOM 633 O HIS A 41 24.104 12.674 0.595 1.00 41.13 O ATOM 634 CB HIS A 41 25.634 12.296 3.292 1.00 10.05 C ATOM 635 CG HIS A 41 26.461 11.044 3.271 1.00 74.22 C ATOM 636 ND1 HIS A 41 27.049 10.536 2.129 1.00 64.11 N ATOM 637 CD2 HIS A 41 26.826 10.217 4.278 1.00 31.41 C ATOM 638 CE1 HIS A 41 27.739 9.453 2.441 1.00 64.54 C ATOM 639 NE2 HIS A 41 27.620 9.239 3.737 1.00 43.23 N ATOM 0 H HIS A 41 24.110 10.648 4.420 1.00 13.31 H new ATOM 0 HA HIS A 41 23.644 13.067 3.100 1.00 75.25 H new ATOM 0 HB2 HIS A 41 26.079 13.016 2.605 1.00 10.05 H new ATOM 0 HB3 HIS A 41 25.691 12.731 4.290 1.00 10.05 H new ATOM 0 HD2 HIS A 41 26.544 10.310 5.316 1.00 31.41 H new ATOM 0 HE1 HIS A 41 28.305 8.845 1.751 1.00 64.54 H new ATOM 0 HE2 HIS A 41 28.049 8.471 4.253 1.00 43.23 H new ATOM 648 N ASP A 42 23.774 10.526 1.117 1.00 23.54 N ATOM 649 CA ASP A 42 23.528 10.138 -0.266 1.00 0.05 C ATOM 650 C ASP A 42 22.194 10.690 -0.745 1.00 12.44 C ATOM 651 O ASP A 42 22.129 11.390 -1.762 1.00 21.11 O ATOM 652 CB ASP A 42 23.560 8.618 -0.429 1.00 61.05 C ATOM 653 CG ASP A 42 24.971 8.085 -0.529 1.00 60.32 C ATOM 654 OD1 ASP A 42 25.596 8.265 -1.593 1.00 63.43 O ATOM 655 OD2 ASP A 42 25.469 7.495 0.453 1.00 11.00 O ATOM 0 H ASP A 42 23.749 9.757 1.787 1.00 23.54 H new ATOM 0 HA ASP A 42 24.325 10.561 -0.878 1.00 0.05 H new ATOM 0 HB2 ASP A 42 23.057 8.153 0.418 1.00 61.05 H new ATOM 0 HB3 ASP A 42 23.003 8.338 -1.323 1.00 61.05 H new ATOM 660 N GLU A 43 21.140 10.384 0.000 1.00 14.52 N ATOM 661 CA GLU A 43 19.806 10.870 -0.318 1.00 51.01 C ATOM 662 C GLU A 43 19.783 12.394 -0.391 1.00 73.32 C ATOM 663 O GLU A 43 19.264 12.969 -1.349 1.00 20.03 O ATOM 664 CB GLU A 43 18.783 10.398 0.720 1.00 51.22 C ATOM 665 CG GLU A 43 18.650 8.885 0.838 1.00 54.12 C ATOM 666 CD GLU A 43 19.622 8.285 1.837 1.00 74.12 C ATOM 667 OE1 GLU A 43 20.819 8.160 1.511 1.00 43.22 O ATOM 668 OE2 GLU A 43 19.188 7.941 2.959 1.00 44.24 O ATOM 0 H GLU A 43 21.185 9.798 0.833 1.00 14.52 H new ATOM 0 HA GLU A 43 19.537 10.461 -1.292 1.00 51.01 H new ATOM 0 HB2 GLU A 43 19.060 10.802 1.694 1.00 51.22 H new ATOM 0 HB3 GLU A 43 17.809 10.816 0.467 1.00 51.22 H new ATOM 0 HG2 GLU A 43 17.631 8.637 1.135 1.00 54.12 H new ATOM 0 HG3 GLU A 43 18.816 8.433 -0.140 1.00 54.12 H new ATOM 675 N VAL A 44 20.358 13.043 0.616 1.00 12.04 N ATOM 676 CA VAL A 44 20.377 14.498 0.662 1.00 64.12 C ATOM 677 C VAL A 44 21.255 15.072 -0.453 1.00 44.32 C ATOM 678 O VAL A 44 20.968 16.150 -0.968 1.00 4.42 O ATOM 679 CB VAL A 44 20.829 15.049 2.036 1.00 64.34 C ATOM 680 CG1 VAL A 44 19.926 14.535 3.148 1.00 55.54 C ATOM 681 CG2 VAL A 44 22.274 14.698 2.326 1.00 41.02 C ATOM 0 H VAL A 44 20.814 12.587 1.406 1.00 12.04 H new ATOM 0 HA VAL A 44 19.348 14.822 0.508 1.00 64.12 H new ATOM 0 HB VAL A 44 20.749 16.135 1.996 1.00 64.34 H new ATOM 0 HG11 VAL A 44 20.263 14.935 4.104 1.00 55.54 H new ATOM 0 HG12 VAL A 44 18.901 14.855 2.961 1.00 55.54 H new ATOM 0 HG13 VAL A 44 19.967 13.446 3.176 1.00 55.54 H new ATOM 0 HG21 VAL A 44 22.558 15.100 3.298 1.00 41.02 H new ATOM 0 HG22 VAL A 44 22.391 13.614 2.334 1.00 41.02 H new ATOM 0 HG23 VAL A 44 22.914 15.126 1.555 1.00 41.02 H new ATOM 691 N LYS A 45 22.321 14.356 -0.827 1.00 40.31 N ATOM 692 CA LYS A 45 23.172 14.793 -1.931 1.00 12.13 C ATOM 693 C LYS A 45 22.377 14.835 -3.226 1.00 13.43 C ATOM 694 O LYS A 45 22.440 15.814 -3.965 1.00 15.20 O ATOM 695 CB LYS A 45 24.396 13.881 -2.095 1.00 61.33 C ATOM 696 CG LYS A 45 25.410 14.409 -3.098 1.00 2.02 C ATOM 697 CD LYS A 45 26.722 13.629 -3.067 1.00 33.13 C ATOM 698 CE LYS A 45 26.654 12.329 -3.864 1.00 75.13 C ATOM 699 NZ LYS A 45 25.759 11.314 -3.247 1.00 24.32 N ATOM 0 H LYS A 45 22.610 13.483 -0.386 1.00 40.31 H new ATOM 0 HA LYS A 45 23.529 15.796 -1.696 1.00 12.13 H new ATOM 0 HB2 LYS A 45 24.882 13.760 -1.127 1.00 61.33 H new ATOM 0 HB3 LYS A 45 24.064 12.892 -2.411 1.00 61.33 H new ATOM 0 HG2 LYS A 45 24.985 14.359 -4.100 1.00 2.02 H new ATOM 0 HG3 LYS A 45 25.610 15.460 -2.889 1.00 2.02 H new ATOM 0 HD2 LYS A 45 27.521 14.254 -3.467 1.00 33.13 H new ATOM 0 HD3 LYS A 45 26.981 13.403 -2.033 1.00 33.13 H new ATOM 0 HE2 LYS A 45 26.306 12.546 -4.874 1.00 75.13 H new ATOM 0 HE3 LYS A 45 27.657 11.913 -3.956 1.00 75.13 H new ATOM 0 HZ1 LYS A 45 26.150 10.364 -3.406 1.00 24.32 H new ATOM 0 HZ2 LYS A 45 25.685 11.492 -2.225 1.00 24.32 H new ATOM 0 HZ3 LYS A 45 24.815 11.376 -3.678 1.00 24.32 H new ATOM 713 N ALA A 46 21.625 13.770 -3.490 1.00 24.01 N ATOM 714 CA ALA A 46 20.760 13.722 -4.666 1.00 74.23 C ATOM 715 C ALA A 46 19.759 14.874 -4.639 1.00 34.34 C ATOM 716 O ALA A 46 19.627 15.627 -5.613 1.00 23.14 O ATOM 717 CB ALA A 46 20.032 12.388 -4.735 1.00 34.25 C ATOM 0 H ALA A 46 21.597 12.932 -2.909 1.00 24.01 H new ATOM 0 HA ALA A 46 21.381 13.824 -5.556 1.00 74.23 H new ATOM 0 HB1 ALA A 46 19.392 12.368 -5.617 1.00 34.25 H new ATOM 0 HB2 ALA A 46 20.760 11.579 -4.797 1.00 34.25 H new ATOM 0 HB3 ALA A 46 19.422 12.260 -3.841 1.00 34.25 H new ATOM 723 N VAL A 47 19.081 15.017 -3.503 1.00 63.11 N ATOM 724 CA VAL A 47 18.109 16.086 -3.308 1.00 5.15 C ATOM 725 C VAL A 47 18.732 17.455 -3.548 1.00 71.40 C ATOM 726 O VAL A 47 18.233 18.224 -4.358 1.00 3.44 O ATOM 727 CB VAL A 47 17.487 16.034 -1.894 1.00 52.11 C ATOM 728 CG1 VAL A 47 16.792 17.342 -1.546 1.00 2.14 C ATOM 729 CG2 VAL A 47 16.499 14.889 -1.806 1.00 1.32 C ATOM 0 H VAL A 47 19.189 14.400 -2.698 1.00 63.11 H new ATOM 0 HA VAL A 47 17.317 15.931 -4.041 1.00 5.15 H new ATOM 0 HB VAL A 47 18.293 15.877 -1.177 1.00 52.11 H new ATOM 0 HG11 VAL A 47 16.365 17.272 -0.545 1.00 2.14 H new ATOM 0 HG12 VAL A 47 17.515 18.157 -1.576 1.00 2.14 H new ATOM 0 HG13 VAL A 47 15.997 17.535 -2.267 1.00 2.14 H new ATOM 0 HG21 VAL A 47 16.065 14.859 -0.807 1.00 1.32 H new ATOM 0 HG22 VAL A 47 15.707 15.034 -2.541 1.00 1.32 H new ATOM 0 HG23 VAL A 47 17.013 13.949 -2.007 1.00 1.32 H new ATOM 739 N ALA A 48 19.831 17.748 -2.864 1.00 53.54 N ATOM 740 CA ALA A 48 20.480 19.046 -2.993 1.00 3.21 C ATOM 741 C ALA A 48 20.972 19.272 -4.417 1.00 22.54 C ATOM 742 O ALA A 48 20.945 20.396 -4.918 1.00 13.30 O ATOM 743 CB ALA A 48 21.632 19.169 -2.010 1.00 15.11 C ATOM 0 H ALA A 48 20.290 17.107 -2.217 1.00 53.54 H new ATOM 0 HA ALA A 48 19.742 19.814 -2.762 1.00 3.21 H new ATOM 0 HB1 ALA A 48 22.103 20.145 -2.122 1.00 15.11 H new ATOM 0 HB2 ALA A 48 21.255 19.063 -0.993 1.00 15.11 H new ATOM 0 HB3 ALA A 48 22.365 18.387 -2.209 1.00 15.11 H new ATOM 749 N ASN A 49 21.404 18.194 -5.062 1.00 73.23 N ATOM 750 CA ASN A 49 21.888 18.259 -6.435 1.00 11.34 C ATOM 751 C ASN A 49 20.785 18.735 -7.373 1.00 21.14 C ATOM 752 O ASN A 49 20.966 19.700 -8.117 1.00 34.35 O ATOM 753 CB ASN A 49 22.392 16.885 -6.885 1.00 24.22 C ATOM 754 CG ASN A 49 22.918 16.887 -8.308 1.00 72.24 C ATOM 755 OD1 ASN A 49 23.454 17.888 -8.787 1.00 13.43 O ATOM 756 ND2 ASN A 49 22.759 15.773 -9.000 1.00 34.41 N ATOM 0 H ASN A 49 21.429 17.260 -4.653 1.00 73.23 H new ATOM 0 HA ASN A 49 22.711 18.972 -6.472 1.00 11.34 H new ATOM 0 HB2 ASN A 49 23.183 16.555 -6.211 1.00 24.22 H new ATOM 0 HB3 ASN A 49 21.581 16.161 -6.804 1.00 24.22 H new ATOM 0 HD21 ASN A 49 23.085 15.721 -9.965 1.00 34.41 H new ATOM 0 HD22 ASN A 49 22.310 14.965 -8.569 1.00 34.41 H new ATOM 763 N GLU A 50 19.628 18.085 -7.316 1.00 63.12 N ATOM 764 CA GLU A 50 18.520 18.468 -8.180 1.00 22.12 C ATOM 765 C GLU A 50 17.860 19.751 -7.676 1.00 22.40 C ATOM 766 O GLU A 50 17.398 20.573 -8.466 1.00 61.11 O ATOM 767 CB GLU A 50 17.494 17.335 -8.301 1.00 3.54 C ATOM 768 CG GLU A 50 16.863 16.915 -6.985 1.00 54.34 C ATOM 769 CD GLU A 50 15.928 15.734 -7.149 1.00 12.15 C ATOM 770 OE1 GLU A 50 16.416 14.586 -7.213 1.00 13.25 O ATOM 771 OE2 GLU A 50 14.706 15.950 -7.241 1.00 72.03 O ATOM 0 H GLU A 50 19.435 17.303 -6.691 1.00 63.12 H new ATOM 0 HA GLU A 50 18.921 18.660 -9.175 1.00 22.12 H new ATOM 0 HB2 GLU A 50 16.705 17.648 -8.985 1.00 3.54 H new ATOM 0 HB3 GLU A 50 17.979 16.468 -8.750 1.00 3.54 H new ATOM 0 HG2 GLU A 50 17.648 16.659 -6.273 1.00 54.34 H new ATOM 0 HG3 GLU A 50 16.313 17.756 -6.563 1.00 54.34 H new ATOM 778 N LEU A 51 17.845 19.927 -6.360 1.00 72.23 N ATOM 779 CA LEU A 51 17.271 21.119 -5.746 1.00 55.41 C ATOM 780 C LEU A 51 17.983 22.379 -6.239 1.00 24.41 C ATOM 781 O LEU A 51 17.333 23.358 -6.608 1.00 62.31 O ATOM 782 CB LEU A 51 17.348 21.015 -4.215 1.00 14.10 C ATOM 783 CG LEU A 51 16.769 22.200 -3.433 1.00 34.30 C ATOM 784 CD1 LEU A 51 15.307 22.427 -3.788 1.00 63.41 C ATOM 785 CD2 LEU A 51 16.916 21.965 -1.938 1.00 30.24 C ATOM 0 H LEU A 51 18.226 19.255 -5.694 1.00 72.23 H new ATOM 0 HA LEU A 51 16.223 21.189 -6.038 1.00 55.41 H new ATOM 0 HB2 LEU A 51 16.825 20.110 -3.905 1.00 14.10 H new ATOM 0 HB3 LEU A 51 18.393 20.893 -3.931 1.00 14.10 H new ATOM 0 HG LEU A 51 17.328 23.094 -3.709 1.00 34.30 H new ATOM 0 HD11 LEU A 51 14.922 23.273 -3.219 1.00 63.41 H new ATOM 0 HD12 LEU A 51 15.220 22.637 -4.854 1.00 63.41 H new ATOM 0 HD13 LEU A 51 14.731 21.534 -3.545 1.00 63.41 H new ATOM 0 HD21 LEU A 51 16.501 22.813 -1.394 1.00 30.24 H new ATOM 0 HD22 LEU A 51 16.381 21.058 -1.658 1.00 30.24 H new ATOM 0 HD23 LEU A 51 17.971 21.855 -1.689 1.00 30.24 H new ATOM 797 N MET A 52 19.315 22.338 -6.264 1.00 34.31 N ATOM 798 CA MET A 52 20.107 23.459 -6.766 1.00 22.22 C ATOM 799 C MET A 52 19.889 23.664 -8.261 1.00 41.23 C ATOM 800 O MET A 52 19.596 24.770 -8.708 1.00 64.42 O ATOM 801 CB MET A 52 21.606 23.241 -6.522 1.00 43.15 C ATOM 802 CG MET A 52 22.078 23.537 -5.107 1.00 23.10 C ATOM 803 SD MET A 52 23.865 23.353 -4.947 1.00 2.50 S ATOM 804 CE MET A 52 24.137 24.072 -3.332 1.00 45.22 C ATOM 0 H MET A 52 19.867 21.542 -5.943 1.00 34.31 H new ATOM 0 HA MET A 52 19.774 24.342 -6.221 1.00 22.22 H new ATOM 0 HB2 MET A 52 21.851 22.206 -6.761 1.00 43.15 H new ATOM 0 HB3 MET A 52 22.166 23.869 -7.214 1.00 43.15 H new ATOM 0 HG2 MET A 52 21.791 24.552 -4.833 1.00 23.10 H new ATOM 0 HG3 MET A 52 21.579 22.865 -4.409 1.00 23.10 H new ATOM 0 HE1 MET A 52 24.916 23.514 -2.812 1.00 45.22 H new ATOM 0 HE2 MET A 52 24.448 25.111 -3.444 1.00 45.22 H new ATOM 0 HE3 MET A 52 23.213 24.030 -2.755 1.00 45.22 H new ATOM 814 N ARG A 53 20.035 22.586 -9.028 1.00 0.12 N ATOM 815 CA ARG A 53 20.009 22.663 -10.489 1.00 31.34 C ATOM 816 C ARG A 53 18.644 23.085 -11.026 1.00 53.14 C ATOM 817 O ARG A 53 18.555 24.010 -11.830 1.00 11.32 O ATOM 818 CB ARG A 53 20.418 21.321 -11.101 1.00 43.45 C ATOM 819 CG ARG A 53 21.873 20.937 -10.855 1.00 71.50 C ATOM 820 CD ARG A 53 22.843 21.743 -11.712 1.00 51.30 C ATOM 821 NE ARG A 53 22.843 23.170 -11.383 1.00 54.25 N ATOM 822 CZ ARG A 53 23.871 23.988 -11.606 1.00 53.43 C ATOM 823 NH1 ARG A 53 25.000 23.527 -12.136 1.00 52.52 N ATOM 824 NH2 ARG A 53 23.767 25.272 -11.295 1.00 40.44 N ATOM 0 H ARG A 53 20.173 21.644 -8.661 1.00 0.12 H new ATOM 0 HA ARG A 53 20.726 23.431 -10.779 1.00 31.34 H new ATOM 0 HB2 ARG A 53 19.775 20.539 -10.697 1.00 43.45 H new ATOM 0 HB3 ARG A 53 20.240 21.356 -12.176 1.00 43.45 H new ATOM 0 HG2 ARG A 53 22.112 21.088 -9.802 1.00 71.50 H new ATOM 0 HG3 ARG A 53 22.005 19.875 -11.063 1.00 71.50 H new ATOM 0 HD2 ARG A 53 23.850 21.346 -11.584 1.00 51.30 H new ATOM 0 HD3 ARG A 53 22.582 21.617 -12.763 1.00 51.30 H new ATOM 0 HE ARG A 53 22.004 23.562 -10.956 1.00 54.25 H new ATOM 0 HH11 ARG A 53 25.085 22.539 -12.376 1.00 52.52 H new ATOM 0 HH12 ARG A 53 25.781 24.161 -12.303 1.00 52.52 H new ATOM 0 HH21 ARG A 53 22.903 25.630 -10.887 1.00 40.44 H new ATOM 0 HH22 ARG A 53 24.551 25.903 -11.464 1.00 40.44 H new ATOM 838 N LEU A 54 17.587 22.414 -10.576 1.00 71.25 N ATOM 839 CA LEU A 54 16.246 22.666 -11.100 1.00 62.34 C ATOM 840 C LEU A 54 15.765 24.065 -10.733 1.00 22.45 C ATOM 841 O LEU A 54 15.010 24.687 -11.483 1.00 5.15 O ATOM 842 CB LEU A 54 15.254 21.622 -10.577 1.00 64.53 C ATOM 843 CG LEU A 54 15.544 20.179 -10.993 1.00 41.12 C ATOM 844 CD1 LEU A 54 14.511 19.233 -10.399 1.00 41.11 C ATOM 845 CD2 LEU A 54 15.573 20.055 -12.510 1.00 13.34 C ATOM 0 H LEU A 54 17.631 21.695 -9.854 1.00 71.25 H new ATOM 0 HA LEU A 54 16.299 22.592 -12.186 1.00 62.34 H new ATOM 0 HB2 LEU A 54 15.239 21.673 -9.488 1.00 64.53 H new ATOM 0 HB3 LEU A 54 14.255 21.889 -10.923 1.00 64.53 H new ATOM 0 HG LEU A 54 16.525 19.902 -10.607 1.00 41.12 H new ATOM 0 HD11 LEU A 54 14.734 18.211 -10.706 1.00 41.11 H new ATOM 0 HD12 LEU A 54 14.540 19.299 -9.311 1.00 41.11 H new ATOM 0 HD13 LEU A 54 13.518 19.510 -10.753 1.00 41.11 H new ATOM 0 HD21 LEU A 54 15.781 19.021 -12.787 1.00 13.34 H new ATOM 0 HD22 LEU A 54 14.607 20.353 -12.918 1.00 13.34 H new ATOM 0 HD23 LEU A 54 16.352 20.702 -12.913 1.00 13.34 H new ATOM 857 N GLY A 55 16.198 24.556 -9.582 1.00 41.21 N ATOM 858 CA GLY A 55 15.824 25.887 -9.156 1.00 63.30 C ATOM 859 C GLY A 55 17.030 26.783 -9.012 1.00 62.12 C ATOM 860 O GLY A 55 17.857 26.872 -9.922 1.00 34.14 O ATOM 0 H GLY A 55 16.804 24.054 -8.933 1.00 41.21 H new ATOM 0 HA2 GLY A 55 15.132 26.320 -9.879 1.00 63.30 H new ATOM 0 HA3 GLY A 55 15.296 25.830 -8.204 1.00 63.30 H new ATOM 864 N ASP A 56 17.141 27.441 -7.871 1.00 0.02 N ATOM 865 CA ASP A 56 18.295 28.275 -7.581 1.00 15.42 C ATOM 866 C ASP A 56 18.701 28.074 -6.132 1.00 64.31 C ATOM 867 O ASP A 56 17.924 27.543 -5.336 1.00 71.51 O ATOM 868 CB ASP A 56 17.986 29.748 -7.848 1.00 73.02 C ATOM 869 CG ASP A 56 19.110 30.446 -8.588 1.00 5.42 C ATOM 870 OD1 ASP A 56 20.124 30.799 -7.951 1.00 0.31 O ATOM 871 OD2 ASP A 56 18.983 30.639 -9.819 1.00 72.25 O ATOM 0 H ASP A 56 16.443 27.414 -7.128 1.00 0.02 H new ATOM 0 HA ASP A 56 19.117 27.985 -8.235 1.00 15.42 H new ATOM 0 HB2 ASP A 56 17.068 29.825 -8.430 1.00 73.02 H new ATOM 0 HB3 ASP A 56 17.806 30.257 -6.901 1.00 73.02 H new ATOM 876 N PHE A 57 19.904 28.494 -5.784 1.00 41.20 N ATOM 877 CA PHE A 57 20.445 28.231 -4.461 1.00 0.01 C ATOM 878 C PHE A 57 21.554 29.233 -4.149 1.00 54.22 C ATOM 879 O PHE A 57 21.877 30.082 -4.979 1.00 53.24 O ATOM 880 CB PHE A 57 20.995 26.800 -4.422 1.00 1.34 C ATOM 881 CG PHE A 57 20.678 26.040 -3.164 1.00 74.43 C ATOM 882 CD1 PHE A 57 21.442 26.213 -2.029 1.00 34.42 C ATOM 883 CD2 PHE A 57 19.621 25.144 -3.126 1.00 53.03 C ATOM 884 CE1 PHE A 57 21.165 25.510 -0.873 1.00 53.11 C ATOM 885 CE2 PHE A 57 19.338 24.438 -1.975 1.00 74.50 C ATOM 886 CZ PHE A 57 20.110 24.621 -0.845 1.00 15.54 C ATOM 0 H PHE A 57 20.526 29.019 -6.399 1.00 41.20 H new ATOM 0 HA PHE A 57 19.660 28.337 -3.712 1.00 0.01 H new ATOM 0 HB2 PHE A 57 20.597 26.249 -5.274 1.00 1.34 H new ATOM 0 HB3 PHE A 57 22.077 26.838 -4.545 1.00 1.34 H new ATOM 0 HD1 PHE A 57 22.269 26.908 -2.044 1.00 34.42 H new ATOM 0 HD2 PHE A 57 19.013 24.997 -4.006 1.00 53.03 H new ATOM 0 HE1 PHE A 57 21.773 25.656 0.008 1.00 53.11 H new ATOM 0 HE2 PHE A 57 18.512 23.742 -1.958 1.00 74.50 H new ATOM 0 HZ PHE A 57 19.889 24.070 0.057 1.00 15.54 H new ATOM 896 N ASP A 58 22.120 29.155 -2.954 1.00 55.52 N ATOM 897 CA ASP A 58 23.273 29.976 -2.615 1.00 42.31 C ATOM 898 C ASP A 58 24.543 29.261 -3.061 1.00 31.30 C ATOM 899 O ASP A 58 24.550 28.034 -3.190 1.00 23.35 O ATOM 900 CB ASP A 58 23.323 30.267 -1.109 1.00 72.43 C ATOM 901 CG ASP A 58 24.454 31.210 -0.748 1.00 71.31 C ATOM 902 OD1 ASP A 58 24.337 32.422 -1.030 1.00 11.45 O ATOM 903 OD2 ASP A 58 25.475 30.750 -0.205 1.00 3.53 O ATOM 0 H ASP A 58 21.803 28.536 -2.208 1.00 55.52 H new ATOM 0 HA ASP A 58 23.190 30.932 -3.132 1.00 42.31 H new ATOM 0 HB2 ASP A 58 22.375 30.701 -0.792 1.00 72.43 H new ATOM 0 HB3 ASP A 58 23.443 29.331 -0.563 1.00 72.43 H new ATOM 908 N GLN A 59 25.605 30.016 -3.313 1.00 65.13 N ATOM 909 CA GLN A 59 26.855 29.429 -3.778 1.00 61.52 C ATOM 910 C GLN A 59 27.596 28.759 -2.630 1.00 42.02 C ATOM 911 O GLN A 59 28.542 29.316 -2.071 1.00 22.20 O ATOM 912 CB GLN A 59 27.762 30.472 -4.446 1.00 52.04 C ATOM 913 CG GLN A 59 27.281 30.943 -5.813 1.00 33.10 C ATOM 914 CD GLN A 59 26.050 31.825 -5.747 1.00 42.12 C ATOM 915 OE1 GLN A 59 24.918 31.347 -5.825 1.00 43.20 O ATOM 916 NE2 GLN A 59 26.264 33.120 -5.594 1.00 63.24 N ATOM 0 H GLN A 59 25.626 31.030 -3.204 1.00 65.13 H new ATOM 0 HA GLN A 59 26.598 28.678 -4.525 1.00 61.52 H new ATOM 0 HB2 GLN A 59 27.848 31.336 -3.787 1.00 52.04 H new ATOM 0 HB3 GLN A 59 28.762 30.051 -4.552 1.00 52.04 H new ATOM 0 HG2 GLN A 59 28.085 31.491 -6.304 1.00 33.10 H new ATOM 0 HG3 GLN A 59 27.063 30.073 -6.433 1.00 33.10 H new ATOM 0 HE21 GLN A 59 27.218 33.476 -5.534 1.00 63.24 H new ATOM 0 HE22 GLN A 59 25.475 33.764 -5.536 1.00 63.24 H new ATOM 925 N ILE A 60 27.132 27.579 -2.263 1.00 73.33 N ATOM 926 CA ILE A 60 27.765 26.790 -1.222 1.00 52.00 C ATOM 927 C ILE A 60 27.942 25.355 -1.689 1.00 62.32 C ATOM 928 O ILE A 60 27.142 24.844 -2.475 1.00 61.30 O ATOM 929 CB ILE A 60 26.953 26.800 0.093 1.00 22.03 C ATOM 930 CG1 ILE A 60 25.480 26.481 -0.182 1.00 74.12 C ATOM 931 CG2 ILE A 60 27.100 28.138 0.805 1.00 12.40 C ATOM 932 CD1 ILE A 60 24.627 26.424 1.066 1.00 34.21 C ATOM 0 H ILE A 60 26.309 27.141 -2.676 1.00 73.33 H new ATOM 0 HA ILE A 60 28.736 27.243 -1.022 1.00 52.00 H new ATOM 0 HB ILE A 60 27.349 26.025 0.750 1.00 22.03 H new ATOM 0 HG12 ILE A 60 25.073 27.236 -0.855 1.00 74.12 H new ATOM 0 HG13 ILE A 60 25.415 25.524 -0.700 1.00 74.12 H new ATOM 0 HG21 ILE A 60 26.521 28.124 1.728 1.00 12.40 H new ATOM 0 HG22 ILE A 60 28.150 28.313 1.038 1.00 12.40 H new ATOM 0 HG23 ILE A 60 26.734 28.936 0.159 1.00 12.40 H new ATOM 0 HD11 ILE A 60 23.597 26.194 0.793 1.00 34.21 H new ATOM 0 HD12 ILE A 60 25.008 25.649 1.732 1.00 34.21 H new ATOM 0 HD13 ILE A 60 24.661 27.388 1.574 1.00 34.21 H new ATOM 944 N ASP A 61 28.995 24.715 -1.217 1.00 74.15 N ATOM 945 CA ASP A 61 29.270 23.336 -1.573 1.00 11.11 C ATOM 946 C ASP A 61 28.650 22.387 -0.555 1.00 32.54 C ATOM 947 O ASP A 61 29.281 21.980 0.421 1.00 44.33 O ATOM 948 CB ASP A 61 30.786 23.093 -1.710 1.00 43.43 C ATOM 949 CG ASP A 61 31.619 23.618 -0.545 1.00 44.22 C ATOM 950 OD1 ASP A 61 31.196 24.587 0.124 1.00 63.43 O ATOM 951 OD2 ASP A 61 32.734 23.098 -0.327 1.00 51.15 O ATOM 0 H ASP A 61 29.677 25.131 -0.583 1.00 74.15 H new ATOM 0 HA ASP A 61 28.815 23.136 -2.543 1.00 11.11 H new ATOM 0 HB2 ASP A 61 30.962 22.022 -1.812 1.00 43.43 H new ATOM 0 HB3 ASP A 61 31.135 23.562 -2.630 1.00 43.43 H new ATOM 956 N ILE A 62 27.394 22.035 -0.802 1.00 1.14 N ATOM 957 CA ILE A 62 26.657 21.140 0.077 1.00 44.54 C ATOM 958 C ILE A 62 27.210 19.727 -0.022 1.00 35.03 C ATOM 959 O ILE A 62 27.228 18.987 0.962 1.00 21.22 O ATOM 960 CB ILE A 62 25.146 21.136 -0.253 1.00 53.15 C ATOM 961 CG1 ILE A 62 24.555 22.525 -0.013 1.00 34.35 C ATOM 962 CG2 ILE A 62 24.408 20.093 0.579 1.00 21.32 C ATOM 963 CD1 ILE A 62 23.066 22.605 -0.271 1.00 32.22 C ATOM 0 H ILE A 62 26.863 22.359 -1.610 1.00 1.14 H new ATOM 0 HA ILE A 62 26.780 21.506 1.096 1.00 44.54 H new ATOM 0 HB ILE A 62 25.024 20.875 -1.304 1.00 53.15 H new ATOM 0 HG12 ILE A 62 24.753 22.821 1.017 1.00 34.35 H new ATOM 0 HG13 ILE A 62 25.065 23.243 -0.655 1.00 34.35 H new ATOM 0 HG21 ILE A 62 23.348 20.111 0.328 1.00 21.32 H new ATOM 0 HG22 ILE A 62 24.815 19.104 0.367 1.00 21.32 H new ATOM 0 HG23 ILE A 62 24.534 20.317 1.638 1.00 21.32 H new ATOM 0 HD11 ILE A 62 22.718 23.620 -0.080 1.00 32.22 H new ATOM 0 HD12 ILE A 62 22.862 22.340 -1.309 1.00 32.22 H new ATOM 0 HD13 ILE A 62 22.545 21.912 0.389 1.00 32.22 H new ATOM 975 N GLY A 63 27.694 19.374 -1.211 1.00 31.43 N ATOM 976 CA GLY A 63 28.282 18.064 -1.425 1.00 52.11 C ATOM 977 C GLY A 63 29.412 17.784 -0.456 1.00 31.22 C ATOM 978 O GLY A 63 29.614 16.644 -0.035 1.00 14.54 O ATOM 0 H GLY A 63 27.689 19.977 -2.034 1.00 31.43 H new ATOM 0 HA2 GLY A 63 27.513 17.299 -1.316 1.00 52.11 H new ATOM 0 HA3 GLY A 63 28.656 17.997 -2.447 1.00 52.11 H new ATOM 982 N VAL A 64 30.139 18.831 -0.090 1.00 13.42 N ATOM 983 CA VAL A 64 31.222 18.715 0.873 1.00 34.32 C ATOM 984 C VAL A 64 30.672 18.742 2.298 1.00 53.31 C ATOM 985 O VAL A 64 31.088 17.958 3.144 1.00 3.43 O ATOM 986 CB VAL A 64 32.255 19.851 0.692 1.00 54.13 C ATOM 987 CG1 VAL A 64 33.385 19.727 1.704 1.00 30.14 C ATOM 988 CG2 VAL A 64 32.803 19.850 -0.728 1.00 21.11 C ATOM 0 H VAL A 64 29.996 19.775 -0.449 1.00 13.42 H new ATOM 0 HA VAL A 64 31.722 17.762 0.697 1.00 34.32 H new ATOM 0 HB VAL A 64 31.750 20.801 0.868 1.00 54.13 H new ATOM 0 HG11 VAL A 64 34.098 20.538 1.555 1.00 30.14 H new ATOM 0 HG12 VAL A 64 32.977 19.783 2.713 1.00 30.14 H new ATOM 0 HG13 VAL A 64 33.890 18.771 1.570 1.00 30.14 H new ATOM 0 HG21 VAL A 64 33.529 20.656 -0.838 1.00 21.11 H new ATOM 0 HG22 VAL A 64 33.288 18.895 -0.930 1.00 21.11 H new ATOM 0 HG23 VAL A 64 31.986 19.999 -1.434 1.00 21.11 H new ATOM 998 N VAL A 65 29.715 19.631 2.543 1.00 25.53 N ATOM 999 CA VAL A 65 29.120 19.795 3.871 1.00 41.35 C ATOM 1000 C VAL A 65 28.482 18.500 4.380 1.00 15.00 C ATOM 1001 O VAL A 65 28.690 18.105 5.526 1.00 61.02 O ATOM 1002 CB VAL A 65 28.057 20.920 3.869 1.00 41.42 C ATOM 1003 CG1 VAL A 65 27.315 20.985 5.195 1.00 52.00 C ATOM 1004 CG2 VAL A 65 28.700 22.263 3.568 1.00 63.33 C ATOM 0 H VAL A 65 29.330 20.256 1.834 1.00 25.53 H new ATOM 0 HA VAL A 65 29.934 20.065 4.543 1.00 41.35 H new ATOM 0 HB VAL A 65 27.335 20.688 3.086 1.00 41.42 H new ATOM 0 HG11 VAL A 65 26.576 21.786 5.160 1.00 52.00 H new ATOM 0 HG12 VAL A 65 26.813 20.035 5.378 1.00 52.00 H new ATOM 0 HG13 VAL A 65 28.024 21.181 5.999 1.00 52.00 H new ATOM 0 HG21 VAL A 65 27.936 23.041 3.571 1.00 63.33 H new ATOM 0 HG22 VAL A 65 29.449 22.486 4.328 1.00 63.33 H new ATOM 0 HG23 VAL A 65 29.177 22.227 2.589 1.00 63.33 H new ATOM 1014 N ILE A 66 27.721 17.833 3.526 1.00 60.32 N ATOM 1015 CA ILE A 66 26.968 16.651 3.939 1.00 21.23 C ATOM 1016 C ILE A 66 27.857 15.417 4.071 1.00 32.33 C ATOM 1017 O ILE A 66 27.482 14.445 4.723 1.00 44.40 O ATOM 1018 CB ILE A 66 25.826 16.342 2.954 1.00 4.44 C ATOM 1019 CG1 ILE A 66 26.387 16.114 1.547 1.00 1.10 C ATOM 1020 CG2 ILE A 66 24.806 17.472 2.957 1.00 30.33 C ATOM 1021 CD1 ILE A 66 25.326 15.910 0.492 1.00 22.24 C ATOM 0 H ILE A 66 27.606 18.086 2.545 1.00 60.32 H new ATOM 0 HA ILE A 66 26.551 16.885 4.918 1.00 21.23 H new ATOM 0 HB ILE A 66 25.323 15.429 3.272 1.00 4.44 H new ATOM 0 HG12 ILE A 66 27.003 16.969 1.269 1.00 1.10 H new ATOM 0 HG13 ILE A 66 27.041 15.242 1.564 1.00 1.10 H new ATOM 0 HG21 ILE A 66 24.004 17.240 2.256 1.00 30.33 H new ATOM 0 HG22 ILE A 66 24.391 17.585 3.959 1.00 30.33 H new ATOM 0 HG23 ILE A 66 25.291 18.401 2.659 1.00 30.33 H new ATOM 0 HD11 ILE A 66 25.801 15.755 -0.477 1.00 22.24 H new ATOM 0 HD12 ILE A 66 24.724 15.037 0.745 1.00 22.24 H new ATOM 0 HD13 ILE A 66 24.685 16.791 0.445 1.00 22.24 H new ATOM 1033 N THR A 67 29.025 15.449 3.450 1.00 14.14 N ATOM 1034 CA THR A 67 29.938 14.319 3.511 1.00 50.13 C ATOM 1035 C THR A 67 31.087 14.615 4.465 1.00 71.42 C ATOM 1036 O THR A 67 31.927 13.758 4.740 1.00 32.31 O ATOM 1037 CB THR A 67 30.490 13.966 2.116 1.00 41.24 C ATOM 1038 OG1 THR A 67 31.123 15.111 1.527 1.00 22.32 O ATOM 1039 CG2 THR A 67 29.373 13.476 1.205 1.00 74.34 C ATOM 0 H THR A 67 29.362 16.240 2.901 1.00 14.14 H new ATOM 0 HA THR A 67 29.377 13.461 3.881 1.00 50.13 H new ATOM 0 HB THR A 67 31.225 13.170 2.233 1.00 41.24 H new ATOM 0 HG1 THR A 67 30.440 15.705 1.151 1.00 22.32 H new ATOM 0 HG21 THR A 67 29.783 13.232 0.225 1.00 74.34 H new ATOM 0 HG22 THR A 67 28.914 12.587 1.638 1.00 74.34 H new ATOM 0 HG23 THR A 67 28.621 14.258 1.099 1.00 74.34 H new ATOM 1047 N HIS A 68 31.103 15.840 4.964 1.00 62.10 N ATOM 1048 CA HIS A 68 32.117 16.294 5.898 1.00 75.44 C ATOM 1049 C HIS A 68 31.514 17.349 6.819 1.00 63.13 C ATOM 1050 O HIS A 68 31.535 18.544 6.510 1.00 34.35 O ATOM 1051 CB HIS A 68 33.327 16.861 5.140 1.00 73.14 C ATOM 1052 CG HIS A 68 34.399 17.434 6.019 1.00 52.01 C ATOM 1053 ND1 HIS A 68 34.356 18.723 6.508 1.00 65.54 N ATOM 1054 CD2 HIS A 68 35.551 16.897 6.485 1.00 52.12 C ATOM 1055 CE1 HIS A 68 35.433 18.955 7.231 1.00 12.54 C ATOM 1056 NE2 HIS A 68 36.173 17.864 7.235 1.00 54.52 N ATOM 0 H HIS A 68 30.409 16.550 4.731 1.00 62.10 H new ATOM 0 HA HIS A 68 32.462 15.452 6.498 1.00 75.44 H new ATOM 0 HB2 HIS A 68 33.760 16.069 4.529 1.00 73.14 H new ATOM 0 HB3 HIS A 68 32.981 17.637 4.457 1.00 73.14 H new ATOM 0 HD1 HIS A 68 33.606 19.393 6.336 1.00 65.54 H new ATOM 0 HD2 HIS A 68 35.913 15.896 6.301 1.00 52.12 H new ATOM 0 HE1 HIS A 68 35.669 19.881 7.734 1.00 12.54 H new ATOM 1065 N PHE A 69 30.949 16.892 7.927 1.00 30.31 N ATOM 1066 CA PHE A 69 30.311 17.777 8.890 1.00 22.22 C ATOM 1067 C PHE A 69 31.290 18.813 9.419 1.00 3.34 C ATOM 1068 O PHE A 69 32.417 18.486 9.804 1.00 14.12 O ATOM 1069 CB PHE A 69 29.726 16.977 10.059 1.00 5.11 C ATOM 1070 CG PHE A 69 28.425 16.294 9.745 1.00 12.44 C ATOM 1071 CD1 PHE A 69 28.402 15.071 9.094 1.00 70.53 C ATOM 1072 CD2 PHE A 69 27.222 16.878 10.110 1.00 75.14 C ATOM 1073 CE1 PHE A 69 27.203 14.444 8.812 1.00 1.20 C ATOM 1074 CE2 PHE A 69 26.020 16.257 9.830 1.00 11.41 C ATOM 1075 CZ PHE A 69 26.011 15.038 9.181 1.00 61.22 C ATOM 0 H PHE A 69 30.920 15.905 8.182 1.00 30.31 H new ATOM 0 HA PHE A 69 29.503 18.294 8.372 1.00 22.22 H new ATOM 0 HB2 PHE A 69 30.452 16.226 10.371 1.00 5.11 H new ATOM 0 HB3 PHE A 69 29.577 17.647 10.905 1.00 5.11 H new ATOM 0 HD1 PHE A 69 29.331 14.603 8.804 1.00 70.53 H new ATOM 0 HD2 PHE A 69 27.224 17.830 10.620 1.00 75.14 H new ATOM 0 HE1 PHE A 69 27.198 13.491 8.304 1.00 1.20 H new ATOM 0 HE2 PHE A 69 25.090 16.724 10.118 1.00 11.41 H new ATOM 0 HZ PHE A 69 25.073 14.549 8.962 1.00 61.22 H new ATOM 1085 N THR A 70 30.854 20.061 9.421 1.00 73.34 N ATOM 1086 CA THR A 70 31.635 21.151 9.969 1.00 1.43 C ATOM 1087 C THR A 70 31.802 20.966 11.480 1.00 12.24 C ATOM 1088 O THR A 70 30.987 20.302 12.125 1.00 70.15 O ATOM 1089 CB THR A 70 30.940 22.494 9.674 1.00 44.13 C ATOM 1090 OG1 THR A 70 30.450 22.491 8.327 1.00 53.25 O ATOM 1091 CG2 THR A 70 31.895 23.663 9.855 1.00 54.12 C ATOM 0 H THR A 70 29.950 20.344 9.043 1.00 73.34 H new ATOM 0 HA THR A 70 32.620 21.153 9.503 1.00 1.43 H new ATOM 0 HB THR A 70 30.116 22.611 10.377 1.00 44.13 H new ATOM 0 HG1 THR A 70 30.978 23.114 7.785 1.00 53.25 H new ATOM 0 HG21 THR A 70 31.374 24.596 9.639 1.00 54.12 H new ATOM 0 HG22 THR A 70 32.259 23.680 10.882 1.00 54.12 H new ATOM 0 HG23 THR A 70 32.738 23.553 9.173 1.00 54.12 H new ATOM 1099 N ASP A 71 32.867 21.517 12.040 1.00 4.40 N ATOM 1100 CA ASP A 71 33.123 21.376 13.467 1.00 51.42 C ATOM 1101 C ASP A 71 32.311 22.404 14.252 1.00 70.43 C ATOM 1102 O ASP A 71 31.795 22.116 15.336 1.00 25.34 O ATOM 1103 CB ASP A 71 34.617 21.538 13.753 1.00 3.12 C ATOM 1104 CG ASP A 71 35.013 21.009 15.116 1.00 32.33 C ATOM 1105 OD1 ASP A 71 35.080 19.770 15.278 1.00 55.22 O ATOM 1106 OD2 ASP A 71 35.288 21.820 16.023 1.00 43.24 O ATOM 0 H ASP A 71 33.564 22.063 11.534 1.00 4.40 H new ATOM 0 HA ASP A 71 32.817 20.379 13.784 1.00 51.42 H new ATOM 0 HB2 ASP A 71 35.188 21.016 12.985 1.00 3.12 H new ATOM 0 HB3 ASP A 71 34.883 22.593 13.686 1.00 3.12 H new ATOM 1111 N GLU A 72 32.188 23.598 13.686 1.00 53.51 N ATOM 1112 CA GLU A 72 31.437 24.682 14.313 1.00 25.43 C ATOM 1113 C GLU A 72 29.967 24.675 13.885 1.00 33.41 C ATOM 1114 O GLU A 72 29.098 25.143 14.617 1.00 73.40 O ATOM 1115 CB GLU A 72 32.074 26.022 13.955 1.00 22.45 C ATOM 1116 CG GLU A 72 33.486 26.179 14.490 1.00 12.13 C ATOM 1117 CD GLU A 72 34.242 27.292 13.805 1.00 21.13 C ATOM 1118 OE1 GLU A 72 34.046 28.470 14.169 1.00 34.31 O ATOM 1119 OE2 GLU A 72 35.032 26.994 12.886 1.00 21.12 O ATOM 0 H GLU A 72 32.602 23.843 12.786 1.00 53.51 H new ATOM 0 HA GLU A 72 31.470 24.532 15.392 1.00 25.43 H new ATOM 0 HB2 GLU A 72 32.090 26.130 12.871 1.00 22.45 H new ATOM 0 HB3 GLU A 72 31.453 26.828 14.347 1.00 22.45 H new ATOM 0 HG2 GLU A 72 33.446 26.377 15.561 1.00 12.13 H new ATOM 0 HG3 GLU A 72 34.027 25.242 14.359 1.00 12.13 H new ATOM 1126 N LEU A 73 29.693 24.143 12.702 1.00 73.25 N ATOM 1127 CA LEU A 73 28.328 24.102 12.178 1.00 13.42 C ATOM 1128 C LEU A 73 27.806 22.667 12.185 1.00 3.21 C ATOM 1129 O LEU A 73 28.595 21.729 12.156 1.00 21.12 O ATOM 1130 CB LEU A 73 28.269 24.673 10.751 1.00 45.25 C ATOM 1131 CG LEU A 73 28.387 26.198 10.622 1.00 34.40 C ATOM 1132 CD1 LEU A 73 27.394 26.892 11.541 1.00 1.43 C ATOM 1133 CD2 LEU A 73 29.809 26.671 10.896 1.00 14.24 C ATOM 0 H LEU A 73 30.394 23.733 12.085 1.00 73.25 H new ATOM 0 HA LEU A 73 27.699 24.717 12.821 1.00 13.42 H new ATOM 0 HB2 LEU A 73 29.069 24.218 10.167 1.00 45.25 H new ATOM 0 HB3 LEU A 73 27.327 24.363 10.298 1.00 45.25 H new ATOM 0 HG LEU A 73 28.146 26.466 9.593 1.00 34.40 H new ATOM 0 HD11 LEU A 73 27.494 27.972 11.435 1.00 1.43 H new ATOM 0 HD12 LEU A 73 26.380 26.593 11.274 1.00 1.43 H new ATOM 0 HD13 LEU A 73 27.595 26.609 12.574 1.00 1.43 H new ATOM 0 HD21 LEU A 73 29.857 27.755 10.796 1.00 14.24 H new ATOM 0 HD22 LEU A 73 30.099 26.386 11.908 1.00 14.24 H new ATOM 0 HD23 LEU A 73 30.490 26.210 10.181 1.00 14.24 H new ATOM 1145 N PRO A 74 26.476 22.466 12.221 1.00 15.30 N ATOM 1146 CA PRO A 74 25.491 23.545 12.253 1.00 74.21 C ATOM 1147 C PRO A 74 25.176 24.017 13.676 1.00 3.21 C ATOM 1148 O PRO A 74 25.602 23.401 14.655 1.00 20.44 O ATOM 1149 CB PRO A 74 24.269 22.892 11.610 1.00 52.45 C ATOM 1150 CG PRO A 74 24.369 21.440 11.963 1.00 33.51 C ATOM 1151 CD PRO A 74 25.828 21.142 12.221 1.00 1.34 C ATOM 0 HA PRO A 74 25.838 24.444 11.744 1.00 74.21 H new ATOM 0 HB2 PRO A 74 23.344 23.327 11.990 1.00 52.45 H new ATOM 0 HB3 PRO A 74 24.268 23.036 10.529 1.00 52.45 H new ATOM 0 HG2 PRO A 74 23.769 21.216 12.845 1.00 33.51 H new ATOM 0 HG3 PRO A 74 23.987 20.820 11.152 1.00 33.51 H new ATOM 0 HD2 PRO A 74 25.967 20.631 13.174 1.00 1.34 H new ATOM 0 HD3 PRO A 74 26.244 20.495 11.449 1.00 1.34 H new ATOM 1159 N SER A 75 24.424 25.104 13.785 1.00 34.34 N ATOM 1160 CA SER A 75 24.102 25.689 15.081 1.00 31.40 C ATOM 1161 C SER A 75 22.741 25.195 15.578 1.00 52.02 C ATOM 1162 O SER A 75 21.815 25.029 14.790 1.00 0.30 O ATOM 1163 CB SER A 75 24.107 27.214 14.969 1.00 31.21 C ATOM 1164 OG SER A 75 25.331 27.670 14.414 1.00 22.13 O ATOM 0 H SER A 75 24.024 25.600 12.989 1.00 34.34 H new ATOM 0 HA SER A 75 24.856 25.379 15.804 1.00 31.40 H new ATOM 0 HB2 SER A 75 23.275 27.541 14.346 1.00 31.21 H new ATOM 0 HB3 SER A 75 23.961 27.657 15.954 1.00 31.21 H new ATOM 0 HG SER A 75 25.316 28.648 14.348 1.00 22.13 H new ATOM 1170 N PRO A 76 22.607 24.954 16.896 1.00 45.34 N ATOM 1171 CA PRO A 76 21.365 24.436 17.495 1.00 5.21 C ATOM 1172 C PRO A 76 20.153 25.319 17.201 1.00 44.52 C ATOM 1173 O PRO A 76 19.073 24.821 16.877 1.00 51.42 O ATOM 1174 CB PRO A 76 21.664 24.425 18.997 1.00 72.21 C ATOM 1175 CG PRO A 76 23.151 24.377 19.086 1.00 41.55 C ATOM 1176 CD PRO A 76 23.656 25.160 17.909 1.00 65.15 C ATOM 0 HA PRO A 76 21.105 23.458 17.090 1.00 5.21 H new ATOM 0 HB2 PRO A 76 21.266 25.314 19.486 1.00 72.21 H new ATOM 0 HB3 PRO A 76 21.210 23.563 19.485 1.00 72.21 H new ATOM 0 HG2 PRO A 76 23.501 24.810 20.023 1.00 41.55 H new ATOM 0 HG3 PRO A 76 23.512 23.349 19.056 1.00 41.55 H new ATOM 0 HD2 PRO A 76 23.781 26.215 18.151 1.00 65.15 H new ATOM 0 HD3 PRO A 76 24.624 24.794 17.567 1.00 65.15 H new ATOM 1184 N GLU A 77 20.344 26.630 17.303 1.00 41.22 N ATOM 1185 CA GLU A 77 19.279 27.590 17.040 1.00 22.44 C ATOM 1186 C GLU A 77 18.865 27.495 15.579 1.00 43.15 C ATOM 1187 O GLU A 77 17.679 27.467 15.248 1.00 12.42 O ATOM 1188 CB GLU A 77 19.739 29.024 17.341 1.00 61.33 C ATOM 1189 CG GLU A 77 20.329 29.228 18.732 1.00 22.41 C ATOM 1190 CD GLU A 77 21.722 28.642 18.885 1.00 43.51 C ATOM 1191 OE1 GLU A 77 22.379 28.372 17.857 1.00 3.44 O ATOM 1192 OE2 GLU A 77 22.165 28.448 20.034 1.00 23.01 O ATOM 0 H GLU A 77 21.233 27.054 17.568 1.00 41.22 H new ATOM 0 HA GLU A 77 18.436 27.353 17.689 1.00 22.44 H new ATOM 0 HB2 GLU A 77 20.483 29.315 16.600 1.00 61.33 H new ATOM 0 HB3 GLU A 77 18.889 29.696 17.220 1.00 61.33 H new ATOM 0 HG2 GLU A 77 20.365 30.295 18.951 1.00 22.41 H new ATOM 0 HG3 GLU A 77 19.668 28.773 19.470 1.00 22.41 H new ATOM 1199 N ASP A 78 19.874 27.430 14.725 1.00 64.10 N ATOM 1200 CA ASP A 78 19.693 27.299 13.285 1.00 20.24 C ATOM 1201 C ASP A 78 18.909 26.025 12.960 1.00 23.41 C ATOM 1202 O ASP A 78 17.937 26.045 12.197 1.00 70.25 O ATOM 1203 CB ASP A 78 21.079 27.280 12.626 1.00 74.32 C ATOM 1204 CG ASP A 78 21.047 27.207 11.117 1.00 33.44 C ATOM 1205 OD1 ASP A 78 20.406 28.073 10.491 1.00 54.10 O ATOM 1206 OD2 ASP A 78 21.698 26.300 10.561 1.00 35.31 O ATOM 0 H ASP A 78 20.852 27.467 15.013 1.00 64.10 H new ATOM 0 HA ASP A 78 19.118 28.141 12.899 1.00 20.24 H new ATOM 0 HB2 ASP A 78 21.623 28.177 12.924 1.00 74.32 H new ATOM 0 HB3 ASP A 78 21.639 26.426 13.008 1.00 74.32 H new ATOM 1211 N VAL A 79 19.314 24.927 13.591 1.00 70.42 N ATOM 1212 CA VAL A 79 18.665 23.634 13.402 1.00 65.40 C ATOM 1213 C VAL A 79 17.189 23.673 13.800 1.00 5.45 C ATOM 1214 O VAL A 79 16.322 23.224 13.045 1.00 24.20 O ATOM 1215 CB VAL A 79 19.385 22.523 14.203 1.00 45.54 C ATOM 1216 CG1 VAL A 79 18.625 21.208 14.124 1.00 25.41 C ATOM 1217 CG2 VAL A 79 20.808 22.337 13.699 1.00 2.33 C ATOM 0 H VAL A 79 20.097 24.908 14.244 1.00 70.42 H new ATOM 0 HA VAL A 79 18.730 23.407 12.338 1.00 65.40 H new ATOM 0 HB VAL A 79 19.419 22.835 15.247 1.00 45.54 H new ATOM 0 HG11 VAL A 79 19.155 20.447 14.696 1.00 25.41 H new ATOM 0 HG12 VAL A 79 17.625 21.341 14.536 1.00 25.41 H new ATOM 0 HG13 VAL A 79 18.550 20.893 13.083 1.00 25.41 H new ATOM 0 HG21 VAL A 79 21.298 21.552 14.274 1.00 2.33 H new ATOM 0 HG22 VAL A 79 20.787 22.056 12.646 1.00 2.33 H new ATOM 0 HG23 VAL A 79 21.360 23.270 13.815 1.00 2.33 H new ATOM 1227 N GLU A 80 16.889 24.216 14.976 1.00 62.32 N ATOM 1228 CA GLU A 80 15.510 24.238 15.448 1.00 15.51 C ATOM 1229 C GLU A 80 14.667 25.207 14.621 1.00 42.51 C ATOM 1230 O GLU A 80 13.456 25.018 14.471 1.00 73.11 O ATOM 1231 CB GLU A 80 15.428 24.594 16.934 1.00 72.14 C ATOM 1232 CG GLU A 80 14.052 24.326 17.524 1.00 41.52 C ATOM 1233 CD GLU A 80 13.974 24.577 19.012 1.00 51.12 C ATOM 1234 OE1 GLU A 80 14.673 23.880 19.773 1.00 11.14 O ATOM 1235 OE2 GLU A 80 13.193 25.458 19.429 1.00 23.22 O ATOM 0 H GLU A 80 17.568 24.639 15.609 1.00 62.32 H new ATOM 0 HA GLU A 80 15.108 23.233 15.323 1.00 15.51 H new ATOM 0 HB2 GLU A 80 16.173 24.019 17.483 1.00 72.14 H new ATOM 0 HB3 GLU A 80 15.677 25.647 17.066 1.00 72.14 H new ATOM 0 HG2 GLU A 80 13.320 24.956 17.019 1.00 41.52 H new ATOM 0 HG3 GLU A 80 13.775 23.291 17.323 1.00 41.52 H new ATOM 1242 N ARG A 81 15.304 26.233 14.072 1.00 50.40 N ATOM 1243 CA ARG A 81 14.607 27.171 13.205 1.00 73.35 C ATOM 1244 C ARG A 81 14.188 26.492 11.908 1.00 24.52 C ATOM 1245 O ARG A 81 13.036 26.613 11.484 1.00 72.03 O ATOM 1246 CB ARG A 81 15.459 28.408 12.911 1.00 51.11 C ATOM 1247 CG ARG A 81 14.921 29.246 11.759 1.00 33.12 C ATOM 1248 CD ARG A 81 15.120 30.732 11.994 1.00 12.04 C ATOM 1249 NE ARG A 81 16.510 31.074 12.272 1.00 54.21 N ATOM 1250 CZ ARG A 81 16.872 32.074 13.071 1.00 1.12 C ATOM 1251 NH1 ARG A 81 15.942 32.829 13.650 1.00 25.34 N ATOM 1252 NH2 ARG A 81 18.157 32.325 13.286 1.00 65.00 N ATOM 0 H ARG A 81 16.294 26.435 14.211 1.00 50.40 H new ATOM 0 HA ARG A 81 13.712 27.503 13.732 1.00 73.35 H new ATOM 0 HB2 ARG A 81 15.513 29.026 13.807 1.00 51.11 H new ATOM 0 HB3 ARG A 81 16.477 28.094 12.679 1.00 51.11 H new ATOM 0 HG2 ARG A 81 15.421 28.955 10.835 1.00 33.12 H new ATOM 0 HG3 ARG A 81 13.859 29.039 11.626 1.00 33.12 H new ATOM 0 HD2 ARG A 81 14.782 31.283 11.116 1.00 12.04 H new ATOM 0 HD3 ARG A 81 14.497 31.051 12.830 1.00 12.04 H new ATOM 0 HE ARG A 81 17.242 30.518 11.831 1.00 54.21 H new ATOM 0 HH11 ARG A 81 14.954 32.640 13.481 1.00 25.34 H new ATOM 0 HH12 ARG A 81 16.217 33.596 14.263 1.00 25.34 H new ATOM 0 HH21 ARG A 81 18.871 31.750 12.838 1.00 65.00 H new ATOM 0 HH22 ARG A 81 18.431 33.093 13.899 1.00 65.00 H new ATOM 1266 N VAL A 82 15.113 25.768 11.281 1.00 32.54 N ATOM 1267 CA VAL A 82 14.789 25.050 10.057 1.00 71.44 C ATOM 1268 C VAL A 82 13.738 23.978 10.353 1.00 64.30 C ATOM 1269 O VAL A 82 12.862 23.706 9.532 1.00 33.50 O ATOM 1270 CB VAL A 82 16.041 24.419 9.393 1.00 10.34 C ATOM 1271 CG1 VAL A 82 16.367 23.049 9.971 1.00 44.34 C ATOM 1272 CG2 VAL A 82 15.863 24.338 7.890 1.00 23.43 C ATOM 0 H VAL A 82 16.078 25.665 11.596 1.00 32.54 H new ATOM 0 HA VAL A 82 14.387 25.771 9.345 1.00 71.44 H new ATOM 0 HB VAL A 82 16.887 25.070 9.612 1.00 10.34 H new ATOM 0 HG11 VAL A 82 17.251 22.646 9.476 1.00 44.34 H new ATOM 0 HG12 VAL A 82 16.560 23.142 11.040 1.00 44.34 H new ATOM 0 HG13 VAL A 82 15.524 22.377 9.812 1.00 44.34 H new ATOM 0 HG21 VAL A 82 16.751 23.893 7.442 1.00 23.43 H new ATOM 0 HG22 VAL A 82 14.993 23.723 7.659 1.00 23.43 H new ATOM 0 HG23 VAL A 82 15.716 25.340 7.486 1.00 23.43 H new ATOM 1282 N ARG A 83 13.821 23.400 11.552 1.00 12.43 N ATOM 1283 CA ARG A 83 12.845 22.421 12.014 1.00 22.25 C ATOM 1284 C ARG A 83 11.441 23.027 12.016 1.00 63.13 C ATOM 1285 O ARG A 83 10.515 22.469 11.432 1.00 31.24 O ATOM 1286 CB ARG A 83 13.226 21.932 13.419 1.00 63.22 C ATOM 1287 CG ARG A 83 12.223 20.979 14.046 1.00 61.31 C ATOM 1288 CD ARG A 83 12.653 20.568 15.448 1.00 74.43 C ATOM 1289 NE ARG A 83 11.661 19.712 16.101 1.00 41.44 N ATOM 1290 CZ ARG A 83 11.885 19.009 17.214 1.00 73.12 C ATOM 1291 NH1 ARG A 83 13.064 19.064 17.827 1.00 20.14 N ATOM 1292 NH2 ARG A 83 10.913 18.260 17.721 1.00 15.30 N ATOM 0 H ARG A 83 14.563 23.598 12.224 1.00 12.43 H new ATOM 0 HA ARG A 83 12.845 21.570 11.333 1.00 22.25 H new ATOM 0 HB2 ARG A 83 14.196 21.437 13.367 1.00 63.22 H new ATOM 0 HB3 ARG A 83 13.344 22.797 14.072 1.00 63.22 H new ATOM 0 HG2 ARG A 83 11.243 21.455 14.088 1.00 61.31 H new ATOM 0 HG3 ARG A 83 12.120 20.093 13.420 1.00 61.31 H new ATOM 0 HD2 ARG A 83 13.606 20.042 15.394 1.00 74.43 H new ATOM 0 HD3 ARG A 83 12.815 21.460 16.053 1.00 74.43 H new ATOM 0 HE ARG A 83 10.736 19.648 15.677 1.00 41.44 H new ATOM 0 HH11 ARG A 83 13.809 19.648 17.448 1.00 20.14 H new ATOM 0 HH12 ARG A 83 13.223 18.522 18.677 1.00 20.14 H new ATOM 0 HH21 ARG A 83 10.003 18.225 17.261 1.00 15.30 H new ATOM 0 HH22 ARG A 83 11.076 17.720 18.571 1.00 15.30 H new ATOM 1306 N ALA A 84 11.302 24.187 12.647 1.00 12.14 N ATOM 1307 CA ALA A 84 10.013 24.866 12.738 1.00 60.24 C ATOM 1308 C ALA A 84 9.510 25.289 11.361 1.00 70.42 C ATOM 1309 O ALA A 84 8.350 25.062 11.017 1.00 23.24 O ATOM 1310 CB ALA A 84 10.114 26.077 13.656 1.00 63.52 C ATOM 0 H ALA A 84 12.069 24.679 13.105 1.00 12.14 H new ATOM 0 HA ALA A 84 9.295 24.162 13.158 1.00 60.24 H new ATOM 0 HB1 ALA A 84 9.145 26.572 13.713 1.00 63.52 H new ATOM 0 HB2 ALA A 84 10.416 25.754 14.652 1.00 63.52 H new ATOM 0 HB3 ALA A 84 10.854 26.773 13.260 1.00 63.52 H new ATOM 1316 N ARG A 85 10.392 25.899 10.574 1.00 4.11 N ATOM 1317 CA ARG A 85 10.030 26.392 9.248 1.00 74.14 C ATOM 1318 C ARG A 85 9.556 25.268 8.334 1.00 31.20 C ATOM 1319 O ARG A 85 8.533 25.396 7.663 1.00 12.24 O ATOM 1320 CB ARG A 85 11.213 27.115 8.600 1.00 14.31 C ATOM 1321 CG ARG A 85 11.465 28.507 9.158 1.00 15.44 C ATOM 1322 CD ARG A 85 12.697 29.133 8.527 1.00 12.24 C ATOM 1323 NE ARG A 85 12.806 30.562 8.809 1.00 30.11 N ATOM 1324 CZ ARG A 85 13.920 31.275 8.641 1.00 74.23 C ATOM 1325 NH1 ARG A 85 15.050 30.680 8.280 1.00 74.02 N ATOM 1326 NH2 ARG A 85 13.903 32.585 8.853 1.00 62.23 N ATOM 0 H ARG A 85 11.365 26.064 10.832 1.00 4.11 H new ATOM 0 HA ARG A 85 9.205 27.092 9.382 1.00 74.14 H new ATOM 0 HB2 ARG A 85 12.112 26.513 8.733 1.00 14.31 H new ATOM 0 HB3 ARG A 85 11.036 27.191 7.527 1.00 14.31 H new ATOM 0 HG2 ARG A 85 10.597 29.139 8.973 1.00 15.44 H new ATOM 0 HG3 ARG A 85 11.594 28.451 10.239 1.00 15.44 H new ATOM 0 HD2 ARG A 85 13.588 28.624 8.895 1.00 12.24 H new ATOM 0 HD3 ARG A 85 12.666 28.980 7.448 1.00 12.24 H new ATOM 0 HE ARG A 85 11.977 31.045 9.156 1.00 30.11 H new ATOM 0 HH11 ARG A 85 15.070 29.671 8.129 1.00 74.02 H new ATOM 0 HH12 ARG A 85 15.899 31.231 8.153 1.00 74.02 H new ATOM 0 HH21 ARG A 85 13.039 33.043 9.144 1.00 62.23 H new ATOM 0 HH22 ARG A 85 14.754 33.133 8.725 1.00 62.23 H new ATOM 1340 N LEU A 86 10.296 24.168 8.310 1.00 63.41 N ATOM 1341 CA LEU A 86 9.976 23.053 7.423 1.00 3.23 C ATOM 1342 C LEU A 86 8.743 22.294 7.902 1.00 51.33 C ATOM 1343 O LEU A 86 7.992 21.751 7.092 1.00 11.12 O ATOM 1344 CB LEU A 86 11.169 22.100 7.299 1.00 64.25 C ATOM 1345 CG LEU A 86 12.192 22.450 6.208 1.00 51.31 C ATOM 1346 CD1 LEU A 86 11.576 22.287 4.829 1.00 63.43 C ATOM 1347 CD2 LEU A 86 12.718 23.867 6.378 1.00 3.31 C ATOM 0 H LEU A 86 11.121 24.022 8.892 1.00 63.41 H new ATOM 0 HA LEU A 86 9.755 23.469 6.440 1.00 3.23 H new ATOM 0 HB2 LEU A 86 11.686 22.068 8.258 1.00 64.25 H new ATOM 0 HB3 LEU A 86 10.790 21.096 7.107 1.00 64.25 H new ATOM 0 HG LEU A 86 13.031 21.761 6.307 1.00 51.31 H new ATOM 0 HD11 LEU A 86 12.315 22.539 4.068 1.00 63.43 H new ATOM 0 HD12 LEU A 86 11.254 21.254 4.694 1.00 63.43 H new ATOM 0 HD13 LEU A 86 10.716 22.950 4.734 1.00 63.43 H new ATOM 0 HD21 LEU A 86 13.440 24.084 5.591 1.00 3.31 H new ATOM 0 HD22 LEU A 86 11.890 24.573 6.315 1.00 3.31 H new ATOM 0 HD23 LEU A 86 13.202 23.961 7.350 1.00 3.31 H new ATOM 1359 N ALA A 87 8.532 22.272 9.216 1.00 64.31 N ATOM 1360 CA ALA A 87 7.390 21.575 9.805 1.00 55.30 C ATOM 1361 C ALA A 87 6.067 22.181 9.349 1.00 40.51 C ATOM 1362 O ALA A 87 5.038 21.505 9.333 1.00 60.31 O ATOM 1363 CB ALA A 87 7.479 21.601 11.323 1.00 2.20 C ATOM 0 H ALA A 87 9.139 22.730 9.896 1.00 64.31 H new ATOM 0 HA ALA A 87 7.422 20.541 9.461 1.00 55.30 H new ATOM 0 HB1 ALA A 87 6.622 21.078 11.747 1.00 2.20 H new ATOM 0 HB2 ALA A 87 8.398 21.109 11.642 1.00 2.20 H new ATOM 0 HB3 ALA A 87 7.481 22.634 11.670 1.00 2.20 H new ATOM 1369 N ALA A 88 6.102 23.454 8.968 1.00 12.20 N ATOM 1370 CA ALA A 88 4.903 24.157 8.525 1.00 35.54 C ATOM 1371 C ALA A 88 4.389 23.597 7.200 1.00 70.35 C ATOM 1372 O ALA A 88 3.208 23.724 6.875 1.00 34.21 O ATOM 1373 CB ALA A 88 5.183 25.646 8.402 1.00 1.20 C ATOM 0 H ALA A 88 6.950 24.021 8.957 1.00 12.20 H new ATOM 0 HA ALA A 88 4.125 24.005 9.274 1.00 35.54 H new ATOM 0 HB1 ALA A 88 4.281 26.160 8.071 1.00 1.20 H new ATOM 0 HB2 ALA A 88 5.490 26.040 9.371 1.00 1.20 H new ATOM 0 HB3 ALA A 88 5.980 25.808 7.676 1.00 1.20 H new ATOM 1379 N GLN A 89 5.279 22.976 6.437 1.00 43.22 N ATOM 1380 CA GLN A 89 4.903 22.360 5.168 1.00 34.15 C ATOM 1381 C GLN A 89 4.504 20.911 5.398 1.00 43.51 C ATOM 1382 O GLN A 89 3.960 20.251 4.512 1.00 25.11 O ATOM 1383 CB GLN A 89 6.060 22.411 4.161 1.00 71.20 C ATOM 1384 CG GLN A 89 6.349 23.789 3.572 1.00 64.44 C ATOM 1385 CD GLN A 89 6.695 24.826 4.619 1.00 71.20 C ATOM 1386 OE1 GLN A 89 5.831 25.567 5.086 1.00 75.44 O ATOM 1387 NE2 GLN A 89 7.954 24.871 5.010 1.00 62.23 N ATOM 0 H GLN A 89 6.267 22.885 6.673 1.00 43.22 H new ATOM 0 HA GLN A 89 4.062 22.919 4.759 1.00 34.15 H new ATOM 0 HB2 GLN A 89 6.963 22.046 4.651 1.00 71.20 H new ATOM 0 HB3 GLN A 89 5.840 21.723 3.344 1.00 71.20 H new ATOM 0 HG2 GLN A 89 7.174 23.708 2.864 1.00 64.44 H new ATOM 0 HG3 GLN A 89 5.478 24.126 3.010 1.00 64.44 H new ATOM 0 HE21 GLN A 89 8.639 24.238 4.597 1.00 62.23 H new ATOM 0 HE22 GLN A 89 8.242 25.538 5.725 1.00 62.23 H new ATOM 1396 N GLY A 90 4.772 20.436 6.599 1.00 41.15 N ATOM 1397 CA GLY A 90 4.554 19.049 6.924 1.00 31.11 C ATOM 1398 C GLY A 90 5.822 18.425 7.452 1.00 31.14 C ATOM 1399 O GLY A 90 6.871 19.068 7.461 1.00 41.14 O ATOM 0 H GLY A 90 5.143 20.997 7.366 1.00 41.15 H new ATOM 0 HA2 GLY A 90 3.762 18.964 7.668 1.00 31.11 H new ATOM 0 HA3 GLY A 90 4.218 18.510 6.038 1.00 31.11 H new ATOM 1403 N TRP A 91 5.746 17.185 7.891 1.00 1.05 N ATOM 1404 CA TRP A 91 6.911 16.520 8.438 1.00 21.13 C ATOM 1405 C TRP A 91 6.990 15.087 7.927 1.00 24.15 C ATOM 1406 O TRP A 91 6.571 14.149 8.607 1.00 54.32 O ATOM 1407 CB TRP A 91 6.868 16.545 9.968 1.00 54.31 C ATOM 1408 CG TRP A 91 8.212 16.383 10.609 1.00 20.42 C ATOM 1409 CD1 TRP A 91 8.680 15.289 11.279 1.00 65.12 C ATOM 1410 CD2 TRP A 91 9.262 17.357 10.639 1.00 12.15 C ATOM 1411 NE1 TRP A 91 9.954 15.529 11.735 1.00 72.51 N ATOM 1412 CE2 TRP A 91 10.332 16.791 11.353 1.00 54.41 C ATOM 1413 CE3 TRP A 91 9.398 18.656 10.135 1.00 43.04 C ATOM 1414 CZ2 TRP A 91 11.523 17.476 11.571 1.00 22.23 C ATOM 1415 CZ3 TRP A 91 10.582 19.333 10.353 1.00 21.42 C ATOM 1416 CH2 TRP A 91 11.630 18.745 11.067 1.00 15.43 C ATOM 0 H TRP A 91 4.896 16.621 7.880 1.00 1.05 H new ATOM 0 HA TRP A 91 7.804 17.052 8.110 1.00 21.13 H new ATOM 0 HB2 TRP A 91 6.430 17.488 10.295 1.00 54.31 H new ATOM 0 HB3 TRP A 91 6.210 15.750 10.318 1.00 54.31 H new ATOM 0 HD1 TRP A 91 8.130 14.371 11.428 1.00 65.12 H new ATOM 0 HE1 TRP A 91 10.525 14.875 12.270 1.00 72.51 H new ATOM 0 HE3 TRP A 91 8.592 19.120 9.586 1.00 43.04 H new ATOM 0 HZ2 TRP A 91 12.336 17.023 12.119 1.00 22.23 H new ATOM 0 HZ3 TRP A 91 10.700 20.334 9.965 1.00 21.42 H new ATOM 0 HH2 TRP A 91 12.542 19.302 11.224 1.00 15.43 H new ATOM 1427 N PRO A 92 7.521 14.904 6.706 1.00 64.14 N ATOM 1428 CA PRO A 92 7.639 13.585 6.076 1.00 60.55 C ATOM 1429 C PRO A 92 8.763 12.751 6.684 1.00 0.42 C ATOM 1430 O PRO A 92 9.110 11.689 6.172 1.00 12.41 O ATOM 1431 CB PRO A 92 7.947 13.919 4.616 1.00 45.11 C ATOM 1432 CG PRO A 92 8.637 15.236 4.671 1.00 23.52 C ATOM 1433 CD PRO A 92 8.036 15.977 5.834 1.00 20.11 C ATOM 0 HA PRO A 92 6.739 12.985 6.209 1.00 60.55 H new ATOM 0 HB2 PRO A 92 8.581 13.158 4.160 1.00 45.11 H new ATOM 0 HB3 PRO A 92 7.036 13.973 4.021 1.00 45.11 H new ATOM 0 HG2 PRO A 92 9.711 15.107 4.805 1.00 23.52 H new ATOM 0 HG3 PRO A 92 8.495 15.789 3.742 1.00 23.52 H new ATOM 0 HD2 PRO A 92 8.779 16.587 6.347 1.00 20.11 H new ATOM 0 HD3 PRO A 92 7.240 16.648 5.512 1.00 20.11 H new ATOM 1441 N LEU A 93 9.334 13.243 7.776 1.00 21.21 N ATOM 1442 CA LEU A 93 10.375 12.514 8.480 1.00 44.02 C ATOM 1443 C LEU A 93 9.752 11.531 9.462 1.00 73.14 C ATOM 1444 O LEU A 93 10.437 10.669 10.016 1.00 62.40 O ATOM 1445 CB LEU A 93 11.316 13.472 9.213 1.00 23.12 C ATOM 1446 CG LEU A 93 12.050 14.473 8.317 1.00 64.11 C ATOM 1447 CD1 LEU A 93 13.033 15.297 9.130 1.00 64.22 C ATOM 1448 CD2 LEU A 93 12.766 13.755 7.184 1.00 63.12 C ATOM 0 H LEU A 93 9.093 14.143 8.191 1.00 21.21 H new ATOM 0 HA LEU A 93 10.961 11.960 7.746 1.00 44.02 H new ATOM 0 HB2 LEU A 93 10.740 14.026 9.955 1.00 23.12 H new ATOM 0 HB3 LEU A 93 12.056 12.885 9.757 1.00 23.12 H new ATOM 0 HG LEU A 93 11.312 15.147 7.883 1.00 64.11 H new ATOM 0 HD11 LEU A 93 13.545 16.003 8.476 1.00 64.22 H new ATOM 0 HD12 LEU A 93 12.496 15.844 9.904 1.00 64.22 H new ATOM 0 HD13 LEU A 93 13.765 14.636 9.594 1.00 64.22 H new ATOM 0 HD21 LEU A 93 13.281 14.484 6.559 1.00 63.12 H new ATOM 0 HD22 LEU A 93 13.492 13.055 7.598 1.00 63.12 H new ATOM 0 HD23 LEU A 93 12.039 13.210 6.582 1.00 63.12 H new