USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 743 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 41 HIS : no HE2:sc= -2.99 K(o=-5.8,f=-9.4!) USER MOD Set 1.2: A 43 GLN : amide:sc= -2.78 K(o=-5.8,f=-19!) USER MOD Set 2.1: A 22 HIS : no HD1:sc= -7.36! C(o=-19!,f=-22!) USER MOD Set 2.2: A 24 SER OG : rot -170:sc= -0.469 USER MOD Set 2.3: A 25 MET CE :methyl -151:sc= -4.44! (180deg=-6.11!) USER MOD Set 2.4: A 48 MET CE :methyl 137:sc= -3.02 (180deg=-0.987) USER MOD Set 2.5: A 57 MET CE :methyl 135:sc= -3.52 (180deg=-5.94!) USER MOD Set 3.1: A 9 CYS SG : rot 105:sc= 0.994 USER MOD Set 3.2: A 45 TYR OH : rot 150:sc=-0.00166 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 7 CYS SG : rot 180:sc= 0.00839 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.21 X(o=-0.21,f=-0.23) USER MOD Single : A 14 ASN : amide:sc= -0.738 K(o=-0.74,f=-3.5!) USER MOD Single : A 17 SER OG : rot 180:sc= -0.301 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 110:sc= -2.02 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -6.62! C(o=-6.6!,f=-11!) USER MOD Single : A 32 THR OG1 : rot 82:sc= 0.566 USER MOD Single : A 34 GLN : amide:sc= -0.343 X(o=-0.34,f=-0.04) USER MOD Single : A 39 ASN : amide:sc= -0.262 X(o=-0.26,f=-0.24) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot -160:sc= -0.112 USER MOD Single : A 53 SER OG : rot 180:sc= 0.0794 USER MOD Single : A 58 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.00708) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HD1:sc= -0.169 X(o=-0.17,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot -50:sc= 0.941 USER MOD Single : A 73 GLN : amide:sc= -1.67 K(o=-1.7,f=-2.5) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 4:sc= 0.729 USER MOD Single : A 81 MET CE :methyl -147:sc= -6.44! (180deg=-11.6!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 80:sc= 1.34 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -14.618 0.473 18.792 1.00 62.31 N ATOM 2 CA ALA A 2 -13.810 1.291 17.897 1.00 65.05 C ATOM 3 C ALA A 2 -12.334 0.919 17.995 1.00 60.23 C ATOM 4 O ALA A 2 -11.607 1.443 18.838 1.00 4.32 O ATOM 5 CB ALA A 2 -14.005 2.767 18.209 1.00 15.04 C ATOM 0 HA ALA A 2 -14.139 1.100 16.876 1.00 65.05 H new ATOM 0 HB1 ALA A 2 -13.395 3.366 17.532 1.00 15.04 H new ATOM 0 HB2 ALA A 2 -15.055 3.030 18.080 1.00 15.04 H new ATOM 0 HB3 ALA A 2 -13.705 2.964 19.238 1.00 15.04 H new ATOM 11 N ARG A 3 -11.899 0.010 17.128 1.00 43.31 N ATOM 12 CA ARG A 3 -10.510 -0.433 17.119 1.00 61.31 C ATOM 13 C ARG A 3 -9.807 0.008 15.838 1.00 23.45 C ATOM 14 O ARG A 3 -10.450 0.240 14.815 1.00 5.53 O ATOM 15 CB ARG A 3 -10.438 -1.955 17.255 1.00 64.30 C ATOM 16 CG ARG A 3 -10.641 -2.450 18.678 1.00 50.13 C ATOM 17 CD ARG A 3 -9.925 -3.770 18.916 1.00 34.41 C ATOM 18 NE ARG A 3 -9.789 -4.070 20.339 1.00 2.30 N ATOM 19 CZ ARG A 3 -9.500 -5.277 20.812 1.00 73.24 C ATOM 20 NH1 ARG A 3 -9.319 -6.293 19.979 1.00 45.33 N ATOM 21 NH2 ARG A 3 -9.393 -5.471 22.120 1.00 44.31 N ATOM 0 H ARG A 3 -12.488 -0.434 16.423 1.00 43.31 H new ATOM 0 HA ARG A 3 -10.002 0.026 17.968 1.00 61.31 H new ATOM 0 HB2 ARG A 3 -11.194 -2.405 16.612 1.00 64.30 H new ATOM 0 HB3 ARG A 3 -9.468 -2.298 16.895 1.00 64.30 H new ATOM 0 HG2 ARG A 3 -10.272 -1.703 19.380 1.00 50.13 H new ATOM 0 HG3 ARG A 3 -11.706 -2.572 18.873 1.00 50.13 H new ATOM 0 HD2 ARG A 3 -10.475 -4.574 18.427 1.00 34.41 H new ATOM 0 HD3 ARG A 3 -8.937 -3.734 18.457 1.00 34.41 H new ATOM 0 HE ARG A 3 -9.923 -3.311 21.006 1.00 2.30 H new ATOM 0 HH11 ARG A 3 -9.402 -6.148 18.973 1.00 45.33 H new ATOM 0 HH12 ARG A 3 -9.097 -7.219 20.345 1.00 45.33 H new ATOM 0 HH21 ARG A 3 -9.533 -4.693 22.764 1.00 44.31 H new ATOM 0 HH22 ARG A 3 -9.171 -6.399 22.482 1.00 44.31 H new ATOM 35 N GLN A 4 -8.484 0.120 15.905 1.00 40.04 N ATOM 36 CA GLN A 4 -7.694 0.534 14.751 1.00 54.11 C ATOM 37 C GLN A 4 -7.039 -0.668 14.080 1.00 74.54 C ATOM 38 O GLN A 4 -6.838 -1.709 14.706 1.00 10.10 O ATOM 39 CB GLN A 4 -6.625 1.542 15.174 1.00 43.53 C ATOM 40 CG GLN A 4 -7.064 2.991 15.031 1.00 23.15 C ATOM 41 CD GLN A 4 -6.181 3.947 15.809 1.00 40.33 C ATOM 42 OE1 GLN A 4 -6.090 3.870 17.034 1.00 20.43 O ATOM 43 NE2 GLN A 4 -5.524 4.857 15.099 1.00 52.14 N ATOM 0 H GLN A 4 -7.937 -0.070 16.745 1.00 40.04 H new ATOM 0 HA GLN A 4 -8.365 1.006 14.034 1.00 54.11 H new ATOM 0 HB2 GLN A 4 -6.352 1.355 16.212 1.00 43.53 H new ATOM 0 HB3 GLN A 4 -5.729 1.382 14.575 1.00 43.53 H new ATOM 0 HG2 GLN A 4 -7.053 3.268 13.977 1.00 23.15 H new ATOM 0 HG3 GLN A 4 -8.093 3.091 15.376 1.00 23.15 H new ATOM 0 HE21 GLN A 4 -5.628 4.885 14.085 1.00 52.14 H new ATOM 0 HE22 GLN A 4 -4.915 5.528 15.568 1.00 52.14 H new ATOM 52 N VAL A 5 -6.709 -0.519 12.801 1.00 50.03 N ATOM 53 CA VAL A 5 -6.076 -1.593 12.044 1.00 0.41 C ATOM 54 C VAL A 5 -4.694 -1.178 11.553 1.00 5.21 C ATOM 55 O VAL A 5 -4.391 0.012 11.451 1.00 73.52 O ATOM 56 CB VAL A 5 -6.935 -2.009 10.835 1.00 45.11 C ATOM 57 CG1 VAL A 5 -8.317 -2.452 11.289 1.00 70.12 C ATOM 58 CG2 VAL A 5 -7.033 -0.868 9.834 1.00 13.40 C ATOM 0 H VAL A 5 -6.870 0.335 12.267 1.00 50.03 H new ATOM 0 HA VAL A 5 -5.978 -2.442 12.720 1.00 0.41 H new ATOM 0 HB VAL A 5 -6.453 -2.854 10.342 1.00 45.11 H new ATOM 0 HG11 VAL A 5 -8.909 -2.742 10.421 1.00 70.12 H new ATOM 0 HG12 VAL A 5 -8.223 -3.302 11.965 1.00 70.12 H new ATOM 0 HG13 VAL A 5 -8.811 -1.630 11.807 1.00 70.12 H new ATOM 0 HG21 VAL A 5 -7.643 -1.179 8.986 1.00 13.40 H new ATOM 0 HG22 VAL A 5 -7.491 -0.002 10.313 1.00 13.40 H new ATOM 0 HG23 VAL A 5 -6.035 -0.604 9.485 1.00 13.40 H new ATOM 68 N ILE A 6 -3.858 -2.166 11.250 1.00 13.23 N ATOM 69 CA ILE A 6 -2.508 -1.903 10.768 1.00 30.22 C ATOM 70 C ILE A 6 -2.491 -1.720 9.254 1.00 23.24 C ATOM 71 O ILE A 6 -3.305 -2.305 8.539 1.00 64.52 O ATOM 72 CB ILE A 6 -1.543 -3.042 11.147 1.00 34.34 C ATOM 73 CG1 ILE A 6 -1.538 -3.252 12.663 1.00 72.30 C ATOM 74 CG2 ILE A 6 -0.140 -2.737 10.645 1.00 72.54 C ATOM 75 CD1 ILE A 6 -2.526 -4.298 13.131 1.00 1.25 C ATOM 0 H ILE A 6 -4.092 -3.156 11.330 1.00 13.23 H new ATOM 0 HA ILE A 6 -2.176 -0.982 11.247 1.00 30.22 H new ATOM 0 HB ILE A 6 -1.886 -3.961 10.672 1.00 34.34 H new ATOM 0 HG12 ILE A 6 -0.536 -3.543 12.978 1.00 72.30 H new ATOM 0 HG13 ILE A 6 -1.764 -2.305 13.154 1.00 72.30 H new ATOM 0 HG21 ILE A 6 0.530 -3.551 10.921 1.00 72.54 H new ATOM 0 HG22 ILE A 6 -0.156 -2.632 9.560 1.00 72.54 H new ATOM 0 HG23 ILE A 6 0.213 -1.809 11.094 1.00 72.54 H new ATOM 0 HD11 ILE A 6 -2.468 -4.394 14.215 1.00 1.25 H new ATOM 0 HD12 ILE A 6 -3.535 -3.999 12.847 1.00 1.25 H new ATOM 0 HD13 ILE A 6 -2.288 -5.256 12.669 1.00 1.25 H new ATOM 87 N CYS A 7 -1.558 -0.906 8.773 1.00 23.42 N ATOM 88 CA CYS A 7 -1.433 -0.647 7.343 1.00 11.23 C ATOM 89 C CYS A 7 -0.768 -1.821 6.633 1.00 22.44 C ATOM 90 O CYS A 7 -0.058 -2.613 7.254 1.00 51.01 O ATOM 91 CB CYS A 7 -0.628 0.632 7.104 1.00 33.51 C ATOM 92 SG CYS A 7 -1.073 1.999 8.200 1.00 43.41 S ATOM 0 H CYS A 7 -0.877 -0.414 9.352 1.00 23.42 H new ATOM 0 HA CYS A 7 -2.435 -0.519 6.933 1.00 11.23 H new ATOM 0 HB2 CYS A 7 0.432 0.410 7.229 1.00 33.51 H new ATOM 0 HB3 CYS A 7 -0.768 0.949 6.070 1.00 33.51 H new ATOM 0 HG CYS A 7 -0.337 3.034 7.923 1.00 43.41 H new ATOM 98 N TRP A 8 -1.003 -1.929 5.331 1.00 55.41 N ATOM 99 CA TRP A 8 -0.428 -3.008 4.537 1.00 71.33 C ATOM 100 C TRP A 8 0.674 -2.484 3.623 1.00 23.22 C ATOM 101 O TRP A 8 0.419 -1.682 2.724 1.00 20.11 O ATOM 102 CB TRP A 8 -1.515 -3.692 3.705 1.00 25.10 C ATOM 103 CG TRP A 8 -2.491 -4.474 4.531 1.00 51.42 C ATOM 104 CD1 TRP A 8 -3.406 -3.971 5.411 1.00 33.34 C ATOM 105 CD2 TRP A 8 -2.648 -5.897 4.554 1.00 1.51 C ATOM 106 NE1 TRP A 8 -4.123 -4.996 5.981 1.00 64.43 N ATOM 107 CE2 TRP A 8 -3.677 -6.187 5.471 1.00 72.21 C ATOM 108 CE3 TRP A 8 -2.021 -6.953 3.888 1.00 22.15 C ATOM 109 CZ2 TRP A 8 -4.090 -7.490 5.738 1.00 51.15 C ATOM 110 CZ3 TRP A 8 -2.431 -8.245 4.154 1.00 35.44 C ATOM 111 CH2 TRP A 8 -3.459 -8.505 5.072 1.00 45.04 C ATOM 0 H TRP A 8 -1.588 -1.282 4.802 1.00 55.41 H new ATOM 0 HA TRP A 8 0.008 -3.736 5.221 1.00 71.33 H new ATOM 0 HB2 TRP A 8 -2.056 -2.936 3.135 1.00 25.10 H new ATOM 0 HB3 TRP A 8 -1.044 -4.359 2.983 1.00 25.10 H new ATOM 0 HD1 TRP A 8 -3.546 -2.922 5.627 1.00 33.34 H new ATOM 0 HE1 TRP A 8 -4.866 -4.888 6.671 1.00 64.43 H new ATOM 0 HE3 TRP A 8 -1.230 -6.763 3.178 1.00 22.15 H new ATOM 0 HZ2 TRP A 8 -4.880 -7.692 6.446 1.00 51.15 H new ATOM 0 HZ3 TRP A 8 -1.952 -9.069 3.646 1.00 35.44 H new ATOM 0 HH2 TRP A 8 -3.758 -9.526 5.257 1.00 45.04 H new ATOM 122 N CYS A 9 1.899 -2.942 3.859 1.00 51.35 N ATOM 123 CA CYS A 9 3.041 -2.518 3.056 1.00 11.32 C ATOM 124 C CYS A 9 3.329 -3.524 1.947 1.00 44.23 C ATOM 125 O CYS A 9 3.642 -4.684 2.213 1.00 61.53 O ATOM 126 CB CYS A 9 4.277 -2.347 3.941 1.00 71.14 C ATOM 127 SG CYS A 9 5.342 -0.967 3.462 1.00 65.12 S ATOM 0 H CYS A 9 2.127 -3.606 4.599 1.00 51.35 H new ATOM 0 HA CYS A 9 2.796 -1.560 2.597 1.00 11.32 H new ATOM 0 HB2 CYS A 9 3.955 -2.203 4.972 1.00 71.14 H new ATOM 0 HB3 CYS A 9 4.860 -3.268 3.915 1.00 71.14 H new ATOM 0 HG CYS A 9 5.177 0.018 4.295 1.00 65.12 H new ATOM 133 N PHE A 10 3.221 -3.071 0.702 1.00 73.31 N ATOM 134 CA PHE A 10 3.467 -3.933 -0.449 1.00 1.52 C ATOM 135 C PHE A 10 4.288 -3.203 -1.508 1.00 62.11 C ATOM 136 O PHE A 10 4.397 -1.976 -1.491 1.00 22.52 O ATOM 137 CB PHE A 10 2.143 -4.406 -1.051 1.00 33.42 C ATOM 138 CG PHE A 10 1.578 -3.463 -2.074 1.00 72.21 C ATOM 139 CD1 PHE A 10 1.076 -2.229 -1.695 1.00 51.50 C ATOM 140 CD2 PHE A 10 1.549 -3.811 -3.415 1.00 2.30 C ATOM 141 CE1 PHE A 10 0.555 -1.359 -2.635 1.00 32.15 C ATOM 142 CE2 PHE A 10 1.030 -2.945 -4.359 1.00 73.22 C ATOM 143 CZ PHE A 10 0.533 -1.717 -3.968 1.00 72.34 C ATOM 0 H PHE A 10 2.965 -2.113 0.464 1.00 73.31 H new ATOM 0 HA PHE A 10 4.033 -4.800 -0.108 1.00 1.52 H new ATOM 0 HB2 PHE A 10 2.291 -5.383 -1.512 1.00 33.42 H new ATOM 0 HB3 PHE A 10 1.416 -4.538 -0.250 1.00 33.42 H new ATOM 0 HD1 PHE A 10 1.092 -1.943 -0.654 1.00 51.50 H new ATOM 0 HD2 PHE A 10 1.936 -4.770 -3.726 1.00 2.30 H new ATOM 0 HE1 PHE A 10 0.166 -0.400 -2.327 1.00 32.15 H new ATOM 0 HE2 PHE A 10 1.013 -3.228 -5.401 1.00 73.22 H new ATOM 0 HZ PHE A 10 0.128 -1.038 -4.704 1.00 72.34 H new ATOM 153 N THR A 11 4.866 -3.967 -2.430 1.00 54.25 N ATOM 154 CA THR A 11 5.678 -3.395 -3.497 1.00 24.24 C ATOM 155 C THR A 11 5.314 -3.997 -4.849 1.00 14.11 C ATOM 156 O THR A 11 5.393 -5.211 -5.042 1.00 10.05 O ATOM 157 CB THR A 11 7.181 -3.616 -3.238 1.00 13.03 C ATOM 158 OG1 THR A 11 7.451 -3.546 -1.833 1.00 43.23 O ATOM 159 CG2 THR A 11 8.015 -2.577 -3.973 1.00 32.55 C ATOM 0 H THR A 11 4.787 -4.983 -2.459 1.00 54.25 H new ATOM 0 HA THR A 11 5.472 -2.325 -3.512 1.00 24.24 H new ATOM 0 HB THR A 11 7.451 -4.604 -3.610 1.00 13.03 H new ATOM 0 HG1 THR A 11 8.408 -3.689 -1.676 1.00 43.23 H new ATOM 0 HG21 THR A 11 9.072 -2.753 -3.775 1.00 32.55 H new ATOM 0 HG22 THR A 11 7.829 -2.652 -5.044 1.00 32.55 H new ATOM 0 HG23 THR A 11 7.742 -1.580 -3.627 1.00 32.55 H new ATOM 167 N LEU A 12 4.914 -3.141 -5.783 1.00 62.43 N ATOM 168 CA LEU A 12 4.538 -3.589 -7.120 1.00 13.02 C ATOM 169 C LEU A 12 5.577 -3.159 -8.151 1.00 33.43 C ATOM 170 O LEU A 12 5.854 -1.971 -8.309 1.00 72.40 O ATOM 171 CB LEU A 12 3.165 -3.030 -7.499 1.00 2.24 C ATOM 172 CG LEU A 12 2.714 -3.277 -8.939 1.00 10.34 C ATOM 173 CD1 LEU A 12 2.935 -4.731 -9.325 1.00 40.24 C ATOM 174 CD2 LEU A 12 1.252 -2.893 -9.112 1.00 73.05 C ATOM 0 H LEU A 12 4.842 -2.134 -5.640 1.00 62.43 H new ATOM 0 HA LEU A 12 4.491 -4.678 -7.112 1.00 13.02 H new ATOM 0 HB2 LEU A 12 2.422 -3.460 -6.828 1.00 2.24 H new ATOM 0 HB3 LEU A 12 3.171 -1.955 -7.321 1.00 2.24 H new ATOM 0 HG LEU A 12 3.314 -2.652 -9.601 1.00 10.34 H new ATOM 0 HD11 LEU A 12 2.608 -4.888 -10.353 1.00 40.24 H new ATOM 0 HD12 LEU A 12 3.994 -4.973 -9.240 1.00 40.24 H new ATOM 0 HD13 LEU A 12 2.361 -5.375 -8.659 1.00 40.24 H new ATOM 0 HD21 LEU A 12 0.947 -3.075 -10.143 1.00 73.05 H new ATOM 0 HD22 LEU A 12 0.637 -3.492 -8.441 1.00 73.05 H new ATOM 0 HD23 LEU A 12 1.123 -1.836 -8.877 1.00 73.05 H new ATOM 186 N ASN A 13 6.147 -4.135 -8.851 1.00 14.12 N ATOM 187 CA ASN A 13 7.154 -3.857 -9.868 1.00 71.44 C ATOM 188 C ASN A 13 6.559 -3.971 -11.268 1.00 75.44 C ATOM 189 O ASN A 13 5.813 -4.905 -11.563 1.00 10.43 O ATOM 190 CB ASN A 13 8.334 -4.821 -9.724 1.00 13.23 C ATOM 191 CG ASN A 13 7.889 -6.239 -9.424 1.00 34.14 C ATOM 192 OD1 ASN A 13 7.811 -6.645 -8.264 1.00 13.32 O ATOM 193 ND2 ASN A 13 7.594 -7.001 -10.471 1.00 4.22 N ATOM 0 H ASN A 13 5.929 -5.124 -8.732 1.00 14.12 H new ATOM 0 HA ASN A 13 7.507 -2.836 -9.724 1.00 71.44 H new ATOM 0 HB2 ASN A 13 8.920 -4.814 -10.643 1.00 13.23 H new ATOM 0 HB3 ASN A 13 8.989 -4.472 -8.926 1.00 13.23 H new ATOM 0 HD21 ASN A 13 7.289 -7.964 -10.331 1.00 4.22 H new ATOM 0 HD22 ASN A 13 7.673 -6.623 -11.415 1.00 4.22 H new ATOM 200 N ASN A 14 6.894 -3.015 -12.128 1.00 3.10 N ATOM 201 CA ASN A 14 6.393 -3.008 -13.498 1.00 1.45 C ATOM 202 C ASN A 14 4.879 -3.191 -13.524 1.00 13.14 C ATOM 203 O ASN A 14 4.357 -4.186 -14.028 1.00 45.31 O ATOM 204 CB ASN A 14 7.066 -4.112 -14.315 1.00 31.43 C ATOM 205 CG ASN A 14 6.648 -4.090 -15.772 1.00 53.32 C ATOM 206 OD1 ASN A 14 5.815 -3.279 -16.178 1.00 12.00 O ATOM 207 ND2 ASN A 14 7.225 -4.983 -16.567 1.00 44.33 N ATOM 0 H ASN A 14 7.510 -2.235 -11.901 1.00 3.10 H new ATOM 0 HA ASN A 14 6.632 -2.041 -13.941 1.00 1.45 H new ATOM 0 HB2 ASN A 14 8.148 -4.001 -14.249 1.00 31.43 H new ATOM 0 HB3 ASN A 14 6.818 -5.082 -13.883 1.00 31.43 H new ATOM 0 HD21 ASN A 14 6.983 -5.016 -17.557 1.00 44.33 H new ATOM 0 HD22 ASN A 14 7.910 -5.636 -16.187 1.00 44.33 H new ATOM 214 N PRO A 15 4.154 -2.208 -12.968 1.00 22.53 N ATOM 215 CA PRO A 15 2.690 -2.237 -12.916 1.00 35.44 C ATOM 216 C PRO A 15 2.057 -2.059 -14.291 1.00 52.24 C ATOM 217 O PRO A 15 2.696 -1.563 -15.220 1.00 71.14 O ATOM 218 CB PRO A 15 2.343 -1.053 -12.010 1.00 4.11 C ATOM 219 CG PRO A 15 3.500 -0.123 -12.143 1.00 72.35 C ATOM 220 CD PRO A 15 4.709 -0.993 -12.348 1.00 21.41 C ATOM 0 HA PRO A 15 2.315 -3.194 -12.553 1.00 35.44 H new ATOM 0 HB2 PRO A 15 1.414 -0.576 -12.321 1.00 4.11 H new ATOM 0 HB3 PRO A 15 2.208 -1.372 -10.976 1.00 4.11 H new ATOM 0 HG2 PRO A 15 3.360 0.556 -12.984 1.00 72.35 H new ATOM 0 HG3 PRO A 15 3.610 0.494 -11.251 1.00 72.35 H new ATOM 0 HD2 PRO A 15 5.445 -0.513 -12.993 1.00 21.41 H new ATOM 0 HD3 PRO A 15 5.209 -1.215 -11.405 1.00 21.41 H new ATOM 228 N LEU A 16 0.798 -2.465 -14.416 1.00 1.23 N ATOM 229 CA LEU A 16 0.078 -2.349 -15.679 1.00 70.01 C ATOM 230 C LEU A 16 -0.935 -1.210 -15.626 1.00 43.42 C ATOM 231 O LEU A 16 -1.591 -0.903 -16.621 1.00 53.32 O ATOM 232 CB LEU A 16 -0.633 -3.663 -16.006 1.00 62.51 C ATOM 233 CG LEU A 16 0.268 -4.833 -16.404 1.00 45.11 C ATOM 234 CD1 LEU A 16 -0.282 -6.141 -15.858 1.00 74.14 C ATOM 235 CD2 LEU A 16 0.414 -4.903 -17.917 1.00 71.12 C ATOM 0 H LEU A 16 0.255 -2.878 -13.658 1.00 1.23 H new ATOM 0 HA LEU A 16 0.803 -2.130 -16.463 1.00 70.01 H new ATOM 0 HB2 LEU A 16 -1.220 -3.961 -15.137 1.00 62.51 H new ATOM 0 HB3 LEU A 16 -1.337 -3.480 -16.818 1.00 62.51 H new ATOM 0 HG LEU A 16 1.255 -4.670 -15.971 1.00 45.11 H new ATOM 0 HD11 LEU A 16 0.373 -6.962 -16.152 1.00 74.14 H new ATOM 0 HD12 LEU A 16 -0.333 -6.089 -14.770 1.00 74.14 H new ATOM 0 HD13 LEU A 16 -1.281 -6.312 -16.260 1.00 74.14 H new ATOM 0 HD21 LEU A 16 1.058 -5.741 -18.182 1.00 71.12 H new ATOM 0 HD22 LEU A 16 -0.567 -5.042 -18.371 1.00 71.12 H new ATOM 0 HD23 LEU A 16 0.856 -3.976 -18.283 1.00 71.12 H new ATOM 247 N SER A 17 -1.054 -0.585 -14.459 1.00 54.22 N ATOM 248 CA SER A 17 -1.988 0.520 -14.276 1.00 12.11 C ATOM 249 C SER A 17 -1.922 1.057 -12.849 1.00 63.42 C ATOM 250 O SER A 17 -1.439 0.393 -11.931 1.00 53.11 O ATOM 251 CB SER A 17 -3.414 0.069 -14.597 1.00 53.13 C ATOM 252 OG SER A 17 -3.546 -1.336 -14.468 1.00 13.14 O ATOM 0 H SER A 17 -0.516 -0.825 -13.626 1.00 54.22 H new ATOM 0 HA SER A 17 -1.704 1.320 -14.960 1.00 12.11 H new ATOM 0 HB2 SER A 17 -4.115 0.566 -13.927 1.00 53.13 H new ATOM 0 HB3 SER A 17 -3.674 0.370 -15.612 1.00 53.13 H new ATOM 0 HG SER A 17 -4.467 -1.599 -14.677 1.00 13.14 H new ATOM 258 N PRO A 18 -2.418 2.288 -12.657 1.00 62.13 N ATOM 259 CA PRO A 18 -2.427 2.942 -11.345 1.00 73.14 C ATOM 260 C PRO A 18 -3.410 2.289 -10.379 1.00 51.13 C ATOM 261 O PRO A 18 -4.400 1.687 -10.797 1.00 70.12 O ATOM 262 CB PRO A 18 -2.864 4.374 -11.666 1.00 22.41 C ATOM 263 CG PRO A 18 -3.642 4.258 -12.931 1.00 40.20 C ATOM 264 CD PRO A 18 -3.008 3.136 -13.706 1.00 51.31 C ATOM 0 HA PRO A 18 -1.458 2.878 -10.851 1.00 73.14 H new ATOM 0 HB2 PRO A 18 -3.473 4.791 -10.864 1.00 22.41 H new ATOM 0 HB3 PRO A 18 -2.004 5.032 -11.789 1.00 22.41 H new ATOM 0 HG2 PRO A 18 -4.691 4.046 -12.726 1.00 40.20 H new ATOM 0 HG3 PRO A 18 -3.609 5.190 -13.496 1.00 40.20 H new ATOM 0 HD2 PRO A 18 -3.743 2.590 -14.297 1.00 51.31 H new ATOM 0 HD3 PRO A 18 -2.251 3.504 -14.399 1.00 51.31 H new ATOM 272 N LEU A 19 -3.131 2.412 -9.086 1.00 54.23 N ATOM 273 CA LEU A 19 -3.992 1.834 -8.060 1.00 1.22 C ATOM 274 C LEU A 19 -5.260 2.663 -7.882 1.00 70.13 C ATOM 275 O LEU A 19 -5.355 3.785 -8.379 1.00 4.33 O ATOM 276 CB LEU A 19 -3.241 1.739 -6.731 1.00 4.53 C ATOM 277 CG LEU A 19 -1.839 1.132 -6.794 1.00 22.01 C ATOM 278 CD1 LEU A 19 -1.224 1.063 -5.405 1.00 22.23 C ATOM 279 CD2 LEU A 19 -1.885 -0.250 -7.428 1.00 63.53 C ATOM 0 H LEU A 19 -2.316 2.906 -8.723 1.00 54.23 H new ATOM 0 HA LEU A 19 -4.277 0.833 -8.382 1.00 1.22 H new ATOM 0 HB2 LEU A 19 -3.163 2.741 -6.308 1.00 4.53 H new ATOM 0 HB3 LEU A 19 -3.841 1.147 -6.039 1.00 4.53 H new ATOM 0 HG LEU A 19 -1.213 1.774 -7.414 1.00 22.01 H new ATOM 0 HD11 LEU A 19 -0.227 0.628 -5.470 1.00 22.23 H new ATOM 0 HD12 LEU A 19 -1.156 2.067 -4.987 1.00 22.23 H new ATOM 0 HD13 LEU A 19 -1.848 0.444 -4.761 1.00 22.23 H new ATOM 0 HD21 LEU A 19 -0.879 -0.667 -7.465 1.00 63.53 H new ATOM 0 HD22 LEU A 19 -2.526 -0.901 -6.834 1.00 63.53 H new ATOM 0 HD23 LEU A 19 -2.283 -0.173 -8.440 1.00 63.53 H new ATOM 291 N SER A 20 -6.232 2.103 -7.169 1.00 61.33 N ATOM 292 CA SER A 20 -7.495 2.789 -6.927 1.00 54.21 C ATOM 293 C SER A 20 -8.087 2.380 -5.582 1.00 2.15 C ATOM 294 O SER A 20 -7.705 1.360 -5.007 1.00 32.33 O ATOM 295 CB SER A 20 -8.490 2.482 -8.048 1.00 41.45 C ATOM 296 OG SER A 20 -8.695 1.086 -8.180 1.00 52.53 O ATOM 0 H SER A 20 -6.169 1.176 -6.749 1.00 61.33 H new ATOM 0 HA SER A 20 -7.299 3.861 -6.908 1.00 54.21 H new ATOM 0 HB2 SER A 20 -9.440 2.974 -7.840 1.00 41.45 H new ATOM 0 HB3 SER A 20 -8.119 2.889 -8.989 1.00 41.45 H new ATOM 0 HG SER A 20 -9.336 0.916 -8.902 1.00 52.53 H new ATOM 302 N LEU A 21 -9.021 3.183 -5.084 1.00 42.34 N ATOM 303 CA LEU A 21 -9.667 2.906 -3.806 1.00 4.41 C ATOM 304 C LEU A 21 -10.458 1.604 -3.867 1.00 13.15 C ATOM 305 O LEU A 21 -10.937 1.205 -4.929 1.00 0.13 O ATOM 306 CB LEU A 21 -10.592 4.061 -3.419 1.00 2.42 C ATOM 307 CG LEU A 21 -11.565 3.786 -2.272 1.00 52.31 C ATOM 308 CD1 LEU A 21 -10.813 3.628 -0.960 1.00 12.32 C ATOM 309 CD2 LEU A 21 -12.595 4.902 -2.168 1.00 33.52 C ATOM 0 H LEU A 21 -9.348 4.032 -5.546 1.00 42.34 H new ATOM 0 HA LEU A 21 -8.890 2.802 -3.049 1.00 4.41 H new ATOM 0 HB2 LEU A 21 -9.976 4.919 -3.149 1.00 2.42 H new ATOM 0 HB3 LEU A 21 -11.169 4.348 -4.298 1.00 2.42 H new ATOM 0 HG LEU A 21 -12.089 2.853 -2.481 1.00 52.31 H new ATOM 0 HD11 LEU A 21 -11.522 3.433 -0.155 1.00 12.32 H new ATOM 0 HD12 LEU A 21 -10.115 2.794 -1.039 1.00 12.32 H new ATOM 0 HD13 LEU A 21 -10.262 4.543 -0.744 1.00 12.32 H new ATOM 0 HD21 LEU A 21 -13.279 4.690 -1.347 1.00 33.52 H new ATOM 0 HD22 LEU A 21 -12.088 5.849 -1.983 1.00 33.52 H new ATOM 0 HD23 LEU A 21 -13.156 4.967 -3.100 1.00 33.52 H new ATOM 321 N HIS A 22 -10.594 0.946 -2.719 1.00 51.15 N ATOM 322 CA HIS A 22 -11.331 -0.310 -2.642 1.00 23.45 C ATOM 323 C HIS A 22 -12.558 -0.166 -1.746 1.00 65.40 C ATOM 324 O HIS A 22 -12.490 0.442 -0.678 1.00 54.40 O ATOM 325 CB HIS A 22 -10.426 -1.424 -2.112 1.00 55.03 C ATOM 326 CG HIS A 22 -10.924 -2.801 -2.428 1.00 52.23 C ATOM 327 ND1 HIS A 22 -10.881 -3.842 -1.526 1.00 30.33 N ATOM 328 CD2 HIS A 22 -11.480 -3.304 -3.555 1.00 70.22 C ATOM 329 CE1 HIS A 22 -11.387 -4.927 -2.084 1.00 70.32 C ATOM 330 NE2 HIS A 22 -11.758 -4.627 -3.316 1.00 35.42 N ATOM 0 H HIS A 22 -10.204 1.262 -1.831 1.00 51.15 H new ATOM 0 HA HIS A 22 -11.665 -0.570 -3.647 1.00 23.45 H new ATOM 0 HB2 HIS A 22 -9.428 -1.302 -2.533 1.00 55.03 H new ATOM 0 HB3 HIS A 22 -10.331 -1.320 -1.031 1.00 55.03 H new ATOM 0 HD2 HIS A 22 -11.670 -2.765 -4.471 1.00 70.22 H new ATOM 0 HE1 HIS A 22 -11.481 -5.894 -1.613 1.00 70.32 H new ATOM 0 HE2 HIS A 22 -12.182 -5.273 -3.981 1.00 35.42 H new ATOM 338 N ASP A 23 -13.676 -0.729 -2.189 1.00 34.33 N ATOM 339 CA ASP A 23 -14.918 -0.664 -1.427 1.00 54.23 C ATOM 340 C ASP A 23 -14.764 -1.354 -0.075 1.00 50.45 C ATOM 341 O ASP A 23 -15.494 -1.058 0.870 1.00 11.24 O ATOM 342 CB ASP A 23 -16.059 -1.309 -2.216 1.00 14.24 C ATOM 343 CG ASP A 23 -16.768 -0.321 -3.121 1.00 52.13 C ATOM 344 OD1 ASP A 23 -16.264 -0.070 -4.236 1.00 42.10 O ATOM 345 OD2 ASP A 23 -17.828 0.200 -2.716 1.00 3.53 O ATOM 0 H ASP A 23 -13.748 -1.235 -3.071 1.00 34.33 H new ATOM 0 HA ASP A 23 -15.154 0.386 -1.253 1.00 54.23 H new ATOM 0 HB2 ASP A 23 -15.664 -2.128 -2.816 1.00 14.24 H new ATOM 0 HB3 ASP A 23 -16.779 -1.741 -1.521 1.00 14.24 H new ATOM 350 N SER A 24 -13.810 -2.275 0.007 1.00 22.24 N ATOM 351 CA SER A 24 -13.563 -3.011 1.242 1.00 43.10 C ATOM 352 C SER A 24 -12.646 -2.221 2.171 1.00 14.42 C ATOM 353 O SER A 24 -12.846 -2.198 3.385 1.00 21.03 O ATOM 354 CB SER A 24 -12.941 -4.374 0.933 1.00 72.15 C ATOM 355 OG SER A 24 -13.569 -4.979 -0.184 1.00 74.42 O ATOM 0 H SER A 24 -13.195 -2.530 -0.766 1.00 22.24 H new ATOM 0 HA SER A 24 -14.519 -3.161 1.744 1.00 43.10 H new ATOM 0 HB2 SER A 24 -11.876 -4.255 0.735 1.00 72.15 H new ATOM 0 HB3 SER A 24 -13.033 -5.025 1.803 1.00 72.15 H new ATOM 0 HG SER A 24 -13.267 -5.908 -0.266 1.00 74.42 H new ATOM 361 N MET A 25 -11.641 -1.574 1.591 1.00 51.53 N ATOM 362 CA MET A 25 -10.694 -0.781 2.366 1.00 40.30 C ATOM 363 C MET A 25 -11.330 0.527 2.828 1.00 23.54 C ATOM 364 O MET A 25 -12.515 0.768 2.600 1.00 72.53 O ATOM 365 CB MET A 25 -9.442 -0.487 1.536 1.00 35.44 C ATOM 366 CG MET A 25 -9.603 0.692 0.591 1.00 4.33 C ATOM 367 SD MET A 25 -8.039 1.214 -0.140 1.00 31.31 S ATOM 368 CE MET A 25 -7.623 -0.230 -1.115 1.00 54.12 C ATOM 0 H MET A 25 -11.461 -1.583 0.587 1.00 51.53 H new ATOM 0 HA MET A 25 -10.411 -1.358 3.246 1.00 40.30 H new ATOM 0 HB2 MET A 25 -8.607 -0.291 2.209 1.00 35.44 H new ATOM 0 HB3 MET A 25 -9.183 -1.374 0.957 1.00 35.44 H new ATOM 0 HG2 MET A 25 -10.299 0.424 -0.203 1.00 4.33 H new ATOM 0 HG3 MET A 25 -10.044 1.529 1.132 1.00 4.33 H new ATOM 0 HE1 MET A 25 -6.539 -0.311 -1.201 1.00 54.12 H new ATOM 0 HE2 MET A 25 -8.016 -1.123 -0.629 1.00 54.12 H new ATOM 0 HE3 MET A 25 -8.060 -0.136 -2.109 1.00 54.12 H new ATOM 378 N LYS A 26 -10.534 1.368 3.480 1.00 33.24 N ATOM 379 CA LYS A 26 -11.018 2.651 3.975 1.00 52.43 C ATOM 380 C LYS A 26 -10.153 3.795 3.455 1.00 13.43 C ATOM 381 O LYS A 26 -10.662 4.860 3.102 1.00 63.31 O ATOM 382 CB LYS A 26 -11.029 2.661 5.505 1.00 75.50 C ATOM 383 CG LYS A 26 -12.412 2.857 6.102 1.00 52.41 C ATOM 384 CD LYS A 26 -13.061 1.530 6.457 1.00 64.11 C ATOM 385 CE LYS A 26 -13.704 1.574 7.835 1.00 44.44 C ATOM 386 NZ LYS A 26 -12.713 1.321 8.917 1.00 12.14 N ATOM 0 H LYS A 26 -9.550 1.184 3.678 1.00 33.24 H new ATOM 0 HA LYS A 26 -12.035 2.792 3.610 1.00 52.43 H new ATOM 0 HB2 LYS A 26 -10.615 1.721 5.869 1.00 75.50 H new ATOM 0 HB3 LYS A 26 -10.373 3.456 5.860 1.00 75.50 H new ATOM 0 HG2 LYS A 26 -12.339 3.477 6.995 1.00 52.41 H new ATOM 0 HG3 LYS A 26 -13.043 3.393 5.393 1.00 52.41 H new ATOM 0 HD2 LYS A 26 -13.815 1.282 5.710 1.00 64.11 H new ATOM 0 HD3 LYS A 26 -12.312 0.739 6.429 1.00 64.11 H new ATOM 0 HE2 LYS A 26 -14.168 2.548 7.988 1.00 44.44 H new ATOM 0 HE3 LYS A 26 -14.499 0.830 7.889 1.00 44.44 H new ATOM 0 HZ1 LYS A 26 -13.190 1.359 9.840 1.00 12.14 H new ATOM 0 HZ2 LYS A 26 -12.288 0.381 8.786 1.00 12.14 H new ATOM 0 HZ3 LYS A 26 -11.968 2.046 8.882 1.00 12.14 H new ATOM 400 N TYR A 27 -8.845 3.569 3.411 1.00 73.24 N ATOM 401 CA TYR A 27 -7.910 4.581 2.935 1.00 40.12 C ATOM 402 C TYR A 27 -6.907 3.979 1.956 1.00 24.20 C ATOM 403 O TYR A 27 -6.547 2.805 2.060 1.00 11.32 O ATOM 404 CB TYR A 27 -7.171 5.217 4.114 1.00 61.24 C ATOM 405 CG TYR A 27 -6.735 6.642 3.857 1.00 25.43 C ATOM 406 CD1 TYR A 27 -7.643 7.600 3.426 1.00 53.12 C ATOM 407 CD2 TYR A 27 -5.414 7.029 4.046 1.00 43.24 C ATOM 408 CE1 TYR A 27 -7.249 8.903 3.190 1.00 52.03 C ATOM 409 CE2 TYR A 27 -5.011 8.330 3.813 1.00 0.04 C ATOM 410 CZ TYR A 27 -5.932 9.263 3.385 1.00 12.14 C ATOM 411 OH TYR A 27 -5.535 10.560 3.152 1.00 63.44 O ATOM 0 H TYR A 27 -8.408 2.694 3.699 1.00 73.24 H new ATOM 0 HA TYR A 27 -8.480 5.350 2.415 1.00 40.12 H new ATOM 0 HB2 TYR A 27 -7.818 5.196 4.991 1.00 61.24 H new ATOM 0 HB3 TYR A 27 -6.294 4.614 4.350 1.00 61.24 H new ATOM 0 HD1 TYR A 27 -8.675 7.322 3.273 1.00 53.12 H new ATOM 0 HD2 TYR A 27 -4.690 6.301 4.381 1.00 43.24 H new ATOM 0 HE1 TYR A 27 -7.968 9.636 2.855 1.00 52.03 H new ATOM 0 HE2 TYR A 27 -3.980 8.615 3.965 1.00 0.04 H new ATOM 0 HH TYR A 27 -5.324 10.996 4.004 1.00 63.44 H new ATOM 421 N LEU A 28 -6.457 4.791 1.005 1.00 35.33 N ATOM 422 CA LEU A 28 -5.494 4.340 0.006 1.00 14.15 C ATOM 423 C LEU A 28 -4.304 5.291 -0.071 1.00 15.24 C ATOM 424 O LEU A 28 -4.471 6.499 -0.243 1.00 35.34 O ATOM 425 CB LEU A 28 -6.165 4.231 -1.364 1.00 44.43 C ATOM 426 CG LEU A 28 -5.224 4.165 -2.568 1.00 1.00 C ATOM 427 CD1 LEU A 28 -4.150 3.110 -2.349 1.00 13.41 C ATOM 428 CD2 LEU A 28 -6.006 3.876 -3.841 1.00 32.02 C ATOM 0 H LEU A 28 -6.744 5.765 0.905 1.00 35.33 H new ATOM 0 HA LEU A 28 -5.130 3.357 0.305 1.00 14.15 H new ATOM 0 HB2 LEU A 28 -6.793 3.340 -1.369 1.00 44.43 H new ATOM 0 HB3 LEU A 28 -6.827 5.088 -1.492 1.00 44.43 H new ATOM 0 HG LEU A 28 -4.736 5.134 -2.677 1.00 1.00 H new ATOM 0 HD11 LEU A 28 -3.490 3.077 -3.216 1.00 13.41 H new ATOM 0 HD12 LEU A 28 -3.570 3.360 -1.461 1.00 13.41 H new ATOM 0 HD13 LEU A 28 -4.619 2.136 -2.214 1.00 13.41 H new ATOM 0 HD21 LEU A 28 -5.320 3.833 -4.687 1.00 32.02 H new ATOM 0 HD22 LEU A 28 -6.522 2.921 -3.742 1.00 32.02 H new ATOM 0 HD23 LEU A 28 -6.737 4.667 -4.007 1.00 32.02 H new ATOM 440 N VAL A 29 -3.102 4.738 0.056 1.00 52.31 N ATOM 441 CA VAL A 29 -1.884 5.537 -0.003 1.00 24.53 C ATOM 442 C VAL A 29 -0.792 4.816 -0.786 1.00 22.03 C ATOM 443 O VAL A 29 -0.400 3.700 -0.442 1.00 11.50 O ATOM 444 CB VAL A 29 -1.358 5.863 1.408 1.00 51.12 C ATOM 445 CG1 VAL A 29 0.010 6.524 1.329 1.00 72.35 C ATOM 446 CG2 VAL A 29 -2.345 6.750 2.152 1.00 73.05 C ATOM 0 H VAL A 29 -2.946 3.740 0.200 1.00 52.31 H new ATOM 0 HA VAL A 29 -2.139 6.467 -0.512 1.00 24.53 H new ATOM 0 HB VAL A 29 -1.253 4.930 1.962 1.00 51.12 H new ATOM 0 HG11 VAL A 29 0.365 6.747 2.335 1.00 72.35 H new ATOM 0 HG12 VAL A 29 0.712 5.850 0.837 1.00 72.35 H new ATOM 0 HG13 VAL A 29 -0.065 7.449 0.758 1.00 72.35 H new ATOM 0 HG21 VAL A 29 -1.958 6.971 3.147 1.00 73.05 H new ATOM 0 HG22 VAL A 29 -2.484 7.681 1.602 1.00 73.05 H new ATOM 0 HG23 VAL A 29 -3.302 6.235 2.241 1.00 73.05 H new ATOM 456 N TYR A 30 -0.304 5.461 -1.839 1.00 62.25 N ATOM 457 CA TYR A 30 0.742 4.881 -2.673 1.00 63.23 C ATOM 458 C TYR A 30 1.565 5.972 -3.352 1.00 62.52 C ATOM 459 O TYR A 30 1.104 7.101 -3.513 1.00 45.23 O ATOM 460 CB TYR A 30 0.130 3.958 -3.728 1.00 32.41 C ATOM 461 CG TYR A 30 -0.434 4.693 -4.923 1.00 3.13 C ATOM 462 CD1 TYR A 30 -1.754 5.125 -4.938 1.00 72.14 C ATOM 463 CD2 TYR A 30 0.355 4.957 -6.036 1.00 10.21 C ATOM 464 CE1 TYR A 30 -2.273 5.797 -6.028 1.00 72.52 C ATOM 465 CE2 TYR A 30 -0.155 5.629 -7.130 1.00 12.54 C ATOM 466 CZ TYR A 30 -1.470 6.047 -7.121 1.00 61.42 C ATOM 467 OH TYR A 30 -1.983 6.717 -8.208 1.00 62.42 O ATOM 0 H TYR A 30 -0.616 6.386 -2.136 1.00 62.25 H new ATOM 0 HA TYR A 30 1.403 4.299 -2.030 1.00 63.23 H new ATOM 0 HB2 TYR A 30 0.891 3.256 -4.070 1.00 32.41 H new ATOM 0 HB3 TYR A 30 -0.663 3.369 -3.267 1.00 32.41 H new ATOM 0 HD1 TYR A 30 -2.385 4.932 -4.083 1.00 72.14 H new ATOM 0 HD2 TYR A 30 1.385 4.631 -6.046 1.00 10.21 H new ATOM 0 HE1 TYR A 30 -3.302 6.125 -6.024 1.00 72.52 H new ATOM 0 HE2 TYR A 30 0.472 5.826 -7.987 1.00 12.54 H new ATOM 0 HH TYR A 30 -1.287 6.813 -8.892 1.00 62.42 H new ATOM 477 N GLN A 31 2.785 5.623 -3.748 1.00 42.11 N ATOM 478 CA GLN A 31 3.673 6.572 -4.410 1.00 21.23 C ATOM 479 C GLN A 31 4.488 5.885 -5.500 1.00 65.12 C ATOM 480 O GLN A 31 4.683 4.669 -5.473 1.00 3.23 O ATOM 481 CB GLN A 31 4.609 7.223 -3.390 1.00 62.10 C ATOM 482 CG GLN A 31 5.716 6.301 -2.905 1.00 22.11 C ATOM 483 CD GLN A 31 6.905 6.271 -3.845 1.00 40.31 C ATOM 484 OE1 GLN A 31 7.053 5.350 -4.648 1.00 62.32 O ATOM 485 NE2 GLN A 31 7.760 7.283 -3.750 1.00 64.53 N ATOM 0 H GLN A 31 3.181 4.691 -3.622 1.00 42.11 H new ATOM 0 HA GLN A 31 3.059 7.344 -4.873 1.00 21.23 H new ATOM 0 HB2 GLN A 31 5.057 8.112 -3.835 1.00 62.10 H new ATOM 0 HB3 GLN A 31 4.024 7.556 -2.533 1.00 62.10 H new ATOM 0 HG2 GLN A 31 6.046 6.624 -1.918 1.00 22.11 H new ATOM 0 HG3 GLN A 31 5.320 5.292 -2.794 1.00 22.11 H new ATOM 0 HE21 GLN A 31 7.598 8.025 -3.070 1.00 64.53 H new ATOM 0 HE22 GLN A 31 8.579 7.318 -4.357 1.00 64.53 H new ATOM 494 N THR A 32 4.964 6.671 -6.461 1.00 54.22 N ATOM 495 CA THR A 32 5.757 6.139 -7.562 1.00 74.00 C ATOM 496 C THR A 32 7.249 6.266 -7.276 1.00 74.43 C ATOM 497 O THR A 32 7.717 7.312 -6.829 1.00 61.14 O ATOM 498 CB THR A 32 5.436 6.859 -8.885 1.00 51.42 C ATOM 499 OG1 THR A 32 4.018 6.992 -9.040 1.00 25.12 O ATOM 500 CG2 THR A 32 6.011 6.098 -10.069 1.00 63.55 C ATOM 0 H THR A 32 4.814 7.679 -6.499 1.00 54.22 H new ATOM 0 HA THR A 32 5.497 5.085 -7.659 1.00 74.00 H new ATOM 0 HB THR A 32 5.892 7.849 -8.853 1.00 51.42 H new ATOM 0 HG1 THR A 32 3.705 7.771 -8.535 1.00 25.12 H new ATOM 0 HG21 THR A 32 5.771 6.626 -10.992 1.00 63.55 H new ATOM 0 HG22 THR A 32 7.093 6.025 -9.963 1.00 63.55 H new ATOM 0 HG23 THR A 32 5.581 5.097 -10.102 1.00 63.55 H new ATOM 508 N GLU A 33 7.990 5.193 -7.538 1.00 53.41 N ATOM 509 CA GLU A 33 9.430 5.186 -7.308 1.00 53.43 C ATOM 510 C GLU A 33 10.179 4.744 -8.562 1.00 75.02 C ATOM 511 O GLU A 33 9.615 4.079 -9.431 1.00 22.11 O ATOM 512 CB GLU A 33 9.778 4.261 -6.140 1.00 53.42 C ATOM 513 CG GLU A 33 10.062 5.000 -4.843 1.00 35.21 C ATOM 514 CD GLU A 33 11.285 4.466 -4.123 1.00 72.23 C ATOM 515 OE1 GLU A 33 11.701 3.327 -4.424 1.00 12.53 O ATOM 516 OE2 GLU A 33 11.826 5.187 -3.260 1.00 2.45 O ATOM 0 H GLU A 33 7.617 4.319 -7.909 1.00 53.41 H new ATOM 0 HA GLU A 33 9.738 6.202 -7.061 1.00 53.43 H new ATOM 0 HB2 GLU A 33 8.954 3.566 -5.980 1.00 53.42 H new ATOM 0 HB3 GLU A 33 10.650 3.664 -6.407 1.00 53.42 H new ATOM 0 HG2 GLU A 33 10.204 6.059 -5.057 1.00 35.21 H new ATOM 0 HG3 GLU A 33 9.195 4.921 -4.187 1.00 35.21 H new ATOM 523 N GLN A 34 11.451 5.119 -8.648 1.00 13.12 N ATOM 524 CA GLN A 34 12.276 4.762 -9.795 1.00 43.25 C ATOM 525 C GLN A 34 13.232 3.626 -9.446 1.00 40.22 C ATOM 526 O GLN A 34 13.799 3.592 -8.355 1.00 44.12 O ATOM 527 CB GLN A 34 13.067 5.979 -10.280 1.00 32.11 C ATOM 528 CG GLN A 34 13.196 6.057 -11.792 1.00 42.55 C ATOM 529 CD GLN A 34 14.399 6.868 -12.234 1.00 61.50 C ATOM 530 OE1 GLN A 34 14.281 7.781 -13.051 1.00 51.20 O ATOM 531 NE2 GLN A 34 15.566 6.536 -11.695 1.00 4.45 N ATOM 0 H GLN A 34 11.932 5.670 -7.937 1.00 13.12 H new ATOM 0 HA GLN A 34 11.616 4.424 -10.594 1.00 43.25 H new ATOM 0 HB2 GLN A 34 12.582 6.885 -9.918 1.00 32.11 H new ATOM 0 HB3 GLN A 34 14.064 5.953 -9.839 1.00 32.11 H new ATOM 0 HG2 GLN A 34 13.273 5.049 -12.199 1.00 42.55 H new ATOM 0 HG3 GLN A 34 12.291 6.500 -12.208 1.00 42.55 H new ATOM 0 HE21 GLN A 34 15.618 5.772 -11.021 1.00 4.45 H new ATOM 0 HE22 GLN A 34 16.411 7.045 -11.955 1.00 4.45 H new ATOM 540 N GLY A 35 13.405 2.696 -10.381 1.00 3.41 N ATOM 541 CA GLY A 35 14.292 1.571 -10.152 1.00 65.02 C ATOM 542 C GLY A 35 14.038 0.427 -11.114 1.00 14.14 C ATOM 543 O GLY A 35 13.120 0.489 -11.932 1.00 24.35 O ATOM 0 H GLY A 35 12.947 2.702 -11.292 1.00 3.41 H new ATOM 0 HA2 GLY A 35 15.326 1.902 -10.250 1.00 65.02 H new ATOM 0 HA3 GLY A 35 14.167 1.216 -9.129 1.00 65.02 H new ATOM 547 N GLU A 36 14.852 -0.619 -11.016 1.00 44.20 N ATOM 548 CA GLU A 36 14.711 -1.780 -11.886 1.00 61.23 C ATOM 549 C GLU A 36 14.325 -1.357 -13.301 1.00 4.53 C ATOM 550 O GLU A 36 13.147 -1.334 -13.654 1.00 32.53 O ATOM 551 CB GLU A 36 13.660 -2.741 -11.325 1.00 42.35 C ATOM 552 CG GLU A 36 12.384 -2.050 -10.874 1.00 61.50 C ATOM 553 CD GLU A 36 11.330 -3.029 -10.395 1.00 34.21 C ATOM 554 OE1 GLU A 36 10.925 -3.901 -11.192 1.00 31.50 O ATOM 555 OE2 GLU A 36 10.909 -2.923 -9.224 1.00 61.10 O ATOM 0 H GLU A 36 15.616 -0.686 -10.343 1.00 44.20 H new ATOM 0 HA GLU A 36 15.674 -2.289 -11.928 1.00 61.23 H new ATOM 0 HB2 GLU A 36 13.413 -3.481 -12.086 1.00 42.35 H new ATOM 0 HB3 GLU A 36 14.088 -3.282 -10.481 1.00 42.35 H new ATOM 0 HG2 GLU A 36 12.618 -1.351 -10.071 1.00 61.50 H new ATOM 0 HG3 GLU A 36 11.981 -1.463 -11.700 1.00 61.50 H new ATOM 562 N ALA A 37 15.328 -1.020 -14.105 1.00 62.34 N ATOM 563 CA ALA A 37 15.095 -0.599 -15.481 1.00 43.12 C ATOM 564 C ALA A 37 14.314 0.710 -15.530 1.00 22.13 C ATOM 565 O ALA A 37 13.825 1.190 -14.508 1.00 55.14 O ATOM 566 CB ALA A 37 14.356 -1.686 -16.248 1.00 43.51 C ATOM 0 H ALA A 37 16.309 -1.030 -13.827 1.00 62.34 H new ATOM 0 HA ALA A 37 16.063 -0.432 -15.952 1.00 43.12 H new ATOM 0 HB1 ALA A 37 14.189 -1.358 -17.274 1.00 43.51 H new ATOM 0 HB2 ALA A 37 14.952 -2.598 -16.251 1.00 43.51 H new ATOM 0 HB3 ALA A 37 13.397 -1.881 -15.769 1.00 43.51 H new ATOM 572 N GLY A 38 14.202 1.283 -16.724 1.00 43.32 N ATOM 573 CA GLY A 38 13.480 2.532 -16.883 1.00 3.11 C ATOM 574 C GLY A 38 12.091 2.479 -16.280 1.00 74.00 C ATOM 575 O GLY A 38 11.551 3.500 -15.856 1.00 4.10 O ATOM 0 H GLY A 38 14.598 0.905 -17.584 1.00 43.32 H new ATOM 0 HA2 GLY A 38 14.046 3.337 -16.414 1.00 3.11 H new ATOM 0 HA3 GLY A 38 13.403 2.771 -17.944 1.00 3.11 H new ATOM 579 N ASN A 39 11.508 1.285 -16.243 1.00 64.33 N ATOM 580 CA ASN A 39 10.171 1.103 -15.690 1.00 24.10 C ATOM 581 C ASN A 39 10.103 1.612 -14.253 1.00 42.14 C ATOM 582 O ASN A 39 11.131 1.871 -13.627 1.00 21.24 O ATOM 583 CB ASN A 39 9.773 -0.374 -15.739 1.00 51.50 C ATOM 584 CG ASN A 39 10.150 -1.031 -17.053 1.00 1.24 C ATOM 585 OD1 ASN A 39 9.689 -0.623 -18.119 1.00 12.24 O ATOM 586 ND2 ASN A 39 10.993 -2.055 -16.981 1.00 52.42 N ATOM 0 H ASN A 39 11.941 0.429 -16.590 1.00 64.33 H new ATOM 0 HA ASN A 39 9.473 1.681 -16.295 1.00 24.10 H new ATOM 0 HB2 ASN A 39 10.256 -0.905 -14.919 1.00 51.50 H new ATOM 0 HB3 ASN A 39 8.697 -0.463 -15.587 1.00 51.50 H new ATOM 0 HD21 ASN A 39 11.283 -2.537 -17.832 1.00 52.42 H new ATOM 0 HD22 ASN A 39 11.350 -2.359 -16.075 1.00 52.42 H new ATOM 593 N ILE A 40 8.886 1.753 -13.739 1.00 24.25 N ATOM 594 CA ILE A 40 8.685 2.229 -12.376 1.00 15.21 C ATOM 595 C ILE A 40 7.911 1.210 -11.546 1.00 40.12 C ATOM 596 O ILE A 40 7.342 0.260 -12.084 1.00 33.44 O ATOM 597 CB ILE A 40 7.929 3.571 -12.355 1.00 1.22 C ATOM 598 CG1 ILE A 40 6.737 3.525 -13.313 1.00 10.42 C ATOM 599 CG2 ILE A 40 8.866 4.712 -12.721 1.00 2.41 C ATOM 600 CD1 ILE A 40 5.974 4.829 -13.391 1.00 43.43 C ATOM 0 H ILE A 40 8.025 1.545 -14.245 1.00 24.25 H new ATOM 0 HA ILE A 40 9.675 2.371 -11.942 1.00 15.21 H new ATOM 0 HB ILE A 40 7.554 3.744 -11.346 1.00 1.22 H new ATOM 0 HG12 ILE A 40 7.092 3.261 -14.309 1.00 10.42 H new ATOM 0 HG13 ILE A 40 6.057 2.734 -12.997 1.00 10.42 H new ATOM 0 HG21 ILE A 40 8.317 5.654 -12.702 1.00 2.41 H new ATOM 0 HG22 ILE A 40 9.685 4.755 -12.003 1.00 2.41 H new ATOM 0 HG23 ILE A 40 9.268 4.546 -13.721 1.00 2.41 H new ATOM 0 HD11 ILE A 40 5.143 4.723 -14.088 1.00 43.43 H new ATOM 0 HD12 ILE A 40 5.589 5.085 -12.404 1.00 43.43 H new ATOM 0 HD13 ILE A 40 6.640 5.620 -13.737 1.00 43.43 H new ATOM 612 N HIS A 41 7.893 1.416 -10.233 1.00 20.50 N ATOM 613 CA HIS A 41 7.187 0.516 -9.328 1.00 72.40 C ATOM 614 C HIS A 41 6.292 1.299 -8.372 1.00 20.31 C ATOM 615 O HIS A 41 6.586 2.444 -8.028 1.00 21.44 O ATOM 616 CB HIS A 41 8.184 -0.330 -8.535 1.00 14.11 C ATOM 617 CG HIS A 41 9.486 0.364 -8.277 1.00 15.02 C ATOM 618 ND1 HIS A 41 10.707 -0.268 -8.371 1.00 62.53 N ATOM 619 CD2 HIS A 41 9.752 1.644 -7.927 1.00 43.22 C ATOM 620 CE1 HIS A 41 11.669 0.592 -8.089 1.00 40.12 C ATOM 621 NE2 HIS A 41 11.116 1.760 -7.817 1.00 2.33 N ATOM 0 H HIS A 41 8.359 2.198 -9.772 1.00 20.50 H new ATOM 0 HA HIS A 41 6.559 -0.143 -9.927 1.00 72.40 H new ATOM 0 HB2 HIS A 41 7.735 -0.608 -7.582 1.00 14.11 H new ATOM 0 HB3 HIS A 41 8.376 -1.255 -9.079 1.00 14.11 H new ATOM 0 HD1 HIS A 41 10.846 -1.247 -8.620 1.00 62.53 H new ATOM 0 HD2 HIS A 41 9.027 2.428 -7.765 1.00 43.22 H new ATOM 0 HE1 HIS A 41 12.727 0.377 -8.082 1.00 40.12 H new ATOM 629 N PHE A 42 5.199 0.674 -7.947 1.00 54.32 N ATOM 630 CA PHE A 42 4.260 1.313 -7.032 1.00 51.33 C ATOM 631 C PHE A 42 4.376 0.719 -5.632 1.00 11.34 C ATOM 632 O PHE A 42 4.292 -0.495 -5.453 1.00 62.41 O ATOM 633 CB PHE A 42 2.827 1.158 -7.547 1.00 44.32 C ATOM 634 CG PHE A 42 2.455 2.167 -8.595 1.00 53.53 C ATOM 635 CD1 PHE A 42 3.319 2.453 -9.640 1.00 21.22 C ATOM 636 CD2 PHE A 42 1.240 2.831 -8.536 1.00 11.34 C ATOM 637 CE1 PHE A 42 2.979 3.381 -10.606 1.00 61.32 C ATOM 638 CE2 PHE A 42 0.894 3.760 -9.499 1.00 62.23 C ATOM 639 CZ PHE A 42 1.765 4.036 -10.535 1.00 63.31 C ATOM 0 H PHE A 42 4.942 -0.274 -8.221 1.00 54.32 H new ATOM 0 HA PHE A 42 4.507 2.373 -6.980 1.00 51.33 H new ATOM 0 HB2 PHE A 42 2.704 0.156 -7.958 1.00 44.32 H new ATOM 0 HB3 PHE A 42 2.136 1.246 -6.708 1.00 44.32 H new ATOM 0 HD1 PHE A 42 4.270 1.944 -9.700 1.00 21.22 H new ATOM 0 HD2 PHE A 42 0.555 2.620 -7.728 1.00 11.34 H new ATOM 0 HE1 PHE A 42 3.662 3.594 -11.415 1.00 61.32 H new ATOM 0 HE2 PHE A 42 -0.056 4.270 -9.442 1.00 62.23 H new ATOM 0 HZ PHE A 42 1.497 4.762 -11.288 1.00 63.31 H new ATOM 649 N GLN A 43 4.570 1.585 -4.642 1.00 53.42 N ATOM 650 CA GLN A 43 4.698 1.147 -3.258 1.00 24.43 C ATOM 651 C GLN A 43 4.042 2.143 -2.308 1.00 31.24 C ATOM 652 O GLN A 43 4.007 3.343 -2.578 1.00 34.45 O ATOM 653 CB GLN A 43 6.173 0.970 -2.891 1.00 41.25 C ATOM 654 CG GLN A 43 7.102 1.915 -3.636 1.00 41.41 C ATOM 655 CD GLN A 43 7.791 1.251 -4.812 1.00 33.22 C ATOM 656 OE1 GLN A 43 7.142 0.839 -5.774 1.00 62.21 O ATOM 657 NE2 GLN A 43 9.112 1.143 -4.740 1.00 43.15 N ATOM 0 H GLN A 43 4.642 2.594 -4.773 1.00 53.42 H new ATOM 0 HA GLN A 43 4.188 0.189 -3.159 1.00 24.43 H new ATOM 0 HB2 GLN A 43 6.293 1.125 -1.819 1.00 41.25 H new ATOM 0 HB3 GLN A 43 6.470 -0.058 -3.099 1.00 41.25 H new ATOM 0 HG2 GLN A 43 6.532 2.773 -3.991 1.00 41.41 H new ATOM 0 HG3 GLN A 43 7.855 2.296 -2.947 1.00 41.41 H new ATOM 0 HE21 GLN A 43 9.609 1.499 -3.923 1.00 43.15 H new ATOM 0 HE22 GLN A 43 9.630 0.704 -5.501 1.00 43.15 H new ATOM 666 N GLY A 44 3.522 1.636 -1.193 1.00 41.54 N ATOM 667 CA GLY A 44 2.873 2.496 -0.221 1.00 20.35 C ATOM 668 C GLY A 44 2.174 1.710 0.872 1.00 44.43 C ATOM 669 O GLY A 44 2.505 0.551 1.121 1.00 61.13 O ATOM 0 H GLY A 44 3.539 0.646 -0.947 1.00 41.54 H new ATOM 0 HA2 GLY A 44 3.615 3.156 0.228 1.00 20.35 H new ATOM 0 HA3 GLY A 44 2.147 3.131 -0.729 1.00 20.35 H new ATOM 673 N TYR A 45 1.207 2.343 1.526 1.00 30.13 N ATOM 674 CA TYR A 45 0.463 1.697 2.601 1.00 13.30 C ATOM 675 C TYR A 45 -1.034 1.702 2.306 1.00 12.13 C ATOM 676 O TYR A 45 -1.570 2.673 1.771 1.00 5.42 O ATOM 677 CB TYR A 45 0.734 2.401 3.932 1.00 70.12 C ATOM 678 CG TYR A 45 1.915 1.834 4.687 1.00 41.13 C ATOM 679 CD1 TYR A 45 1.889 0.537 5.185 1.00 42.33 C ATOM 680 CD2 TYR A 45 3.058 2.595 4.901 1.00 14.30 C ATOM 681 CE1 TYR A 45 2.966 0.016 5.876 1.00 73.25 C ATOM 682 CE2 TYR A 45 4.140 2.082 5.590 1.00 75.54 C ATOM 683 CZ TYR A 45 4.089 0.792 6.075 1.00 34.42 C ATOM 684 OH TYR A 45 5.164 0.275 6.762 1.00 54.23 O ATOM 0 H TYR A 45 0.920 3.302 1.331 1.00 30.13 H new ATOM 0 HA TYR A 45 0.798 0.662 2.670 1.00 13.30 H new ATOM 0 HB2 TYR A 45 0.908 3.460 3.744 1.00 70.12 H new ATOM 0 HB3 TYR A 45 -0.155 2.330 4.559 1.00 70.12 H new ATOM 0 HD1 TYR A 45 1.012 -0.074 5.029 1.00 42.33 H new ATOM 0 HD2 TYR A 45 3.101 3.605 4.522 1.00 14.30 H new ATOM 0 HE1 TYR A 45 2.929 -0.993 6.258 1.00 73.25 H new ATOM 0 HE2 TYR A 45 5.020 2.687 5.748 1.00 75.54 H new ATOM 0 HH TYR A 45 5.991 0.686 6.433 1.00 54.23 H new ATOM 694 N ILE A 46 -1.704 0.610 2.660 1.00 4.21 N ATOM 695 CA ILE A 46 -3.139 0.488 2.436 1.00 43.32 C ATOM 696 C ILE A 46 -3.830 -0.151 3.635 1.00 12.11 C ATOM 697 O ILE A 46 -3.445 -1.230 4.083 1.00 60.31 O ATOM 698 CB ILE A 46 -3.443 -0.346 1.177 1.00 1.23 C ATOM 699 CG1 ILE A 46 -2.735 0.252 -0.041 1.00 33.24 C ATOM 700 CG2 ILE A 46 -4.944 -0.420 0.941 1.00 10.12 C ATOM 701 CD1 ILE A 46 -2.743 -0.657 -1.250 1.00 3.02 C ATOM 0 H ILE A 46 -1.276 -0.203 3.103 1.00 4.21 H new ATOM 0 HA ILE A 46 -3.524 1.498 2.294 1.00 43.32 H new ATOM 0 HB ILE A 46 -3.069 -1.358 1.330 1.00 1.23 H new ATOM 0 HG12 ILE A 46 -3.214 1.196 -0.303 1.00 33.24 H new ATOM 0 HG13 ILE A 46 -1.703 0.481 0.225 1.00 33.24 H new ATOM 0 HG21 ILE A 46 -5.143 -1.012 0.048 1.00 10.12 H new ATOM 0 HG22 ILE A 46 -5.425 -0.887 1.801 1.00 10.12 H new ATOM 0 HG23 ILE A 46 -5.341 0.586 0.805 1.00 10.12 H new ATOM 0 HD11 ILE A 46 -2.224 -0.169 -2.075 1.00 3.02 H new ATOM 0 HD12 ILE A 46 -2.238 -1.592 -1.006 1.00 3.02 H new ATOM 0 HD13 ILE A 46 -3.772 -0.866 -1.541 1.00 3.02 H new ATOM 713 N GLU A 47 -4.855 0.523 4.149 1.00 24.21 N ATOM 714 CA GLU A 47 -5.601 0.019 5.296 1.00 3.13 C ATOM 715 C GLU A 47 -6.947 -0.554 4.861 1.00 5.51 C ATOM 716 O GLU A 47 -7.778 0.152 4.290 1.00 3.13 O ATOM 717 CB GLU A 47 -5.816 1.134 6.322 1.00 20.10 C ATOM 718 CG GLU A 47 -4.527 1.793 6.784 1.00 33.02 C ATOM 719 CD GLU A 47 -4.739 3.217 7.261 1.00 63.11 C ATOM 720 OE1 GLU A 47 -5.421 3.404 8.290 1.00 62.41 O ATOM 721 OE2 GLU A 47 -4.221 4.145 6.604 1.00 31.31 O ATOM 0 H GLU A 47 -5.187 1.418 3.790 1.00 24.21 H new ATOM 0 HA GLU A 47 -5.017 -0.779 5.754 1.00 3.13 H new ATOM 0 HB2 GLU A 47 -6.468 1.893 5.890 1.00 20.10 H new ATOM 0 HB3 GLU A 47 -6.335 0.724 7.188 1.00 20.10 H new ATOM 0 HG2 GLU A 47 -4.091 1.204 7.591 1.00 33.02 H new ATOM 0 HG3 GLU A 47 -3.808 1.791 5.964 1.00 33.02 H new ATOM 728 N MET A 48 -7.153 -1.838 5.135 1.00 41.52 N ATOM 729 CA MET A 48 -8.398 -2.505 4.772 1.00 23.32 C ATOM 730 C MET A 48 -9.496 -2.195 5.785 1.00 63.44 C ATOM 731 O MET A 48 -9.275 -1.465 6.751 1.00 55.10 O ATOM 732 CB MET A 48 -8.183 -4.017 4.682 1.00 22.32 C ATOM 733 CG MET A 48 -7.296 -4.437 3.521 1.00 21.12 C ATOM 734 SD MET A 48 -8.210 -5.292 2.223 1.00 44.32 S ATOM 735 CE MET A 48 -8.823 -3.904 1.271 1.00 41.11 C ATOM 0 H MET A 48 -6.475 -2.437 5.606 1.00 41.52 H new ATOM 0 HA MET A 48 -8.711 -2.131 3.797 1.00 23.32 H new ATOM 0 HB2 MET A 48 -7.739 -4.369 5.613 1.00 22.32 H new ATOM 0 HB3 MET A 48 -9.151 -4.508 4.585 1.00 22.32 H new ATOM 0 HG2 MET A 48 -6.814 -3.555 3.100 1.00 21.12 H new ATOM 0 HG3 MET A 48 -6.504 -5.088 3.891 1.00 21.12 H new ATOM 0 HE1 MET A 48 -8.708 -4.113 0.207 1.00 41.11 H new ATOM 0 HE2 MET A 48 -9.877 -3.745 1.498 1.00 41.11 H new ATOM 0 HE3 MET A 48 -8.257 -3.008 1.528 1.00 41.11 H new ATOM 745 N LYS A 49 -10.679 -2.755 5.557 1.00 52.20 N ATOM 746 CA LYS A 49 -11.812 -2.540 6.449 1.00 12.52 C ATOM 747 C LYS A 49 -11.437 -2.860 7.892 1.00 23.14 C ATOM 748 O LYS A 49 -11.522 -2.003 8.772 1.00 23.02 O ATOM 749 CB LYS A 49 -13.000 -3.402 6.016 1.00 22.23 C ATOM 750 CG LYS A 49 -14.317 -2.647 5.976 1.00 32.40 C ATOM 751 CD LYS A 49 -15.278 -3.255 4.968 1.00 64.43 C ATOM 752 CE LYS A 49 -16.123 -2.188 4.289 1.00 25.10 C ATOM 753 NZ LYS A 49 -17.576 -2.382 4.550 1.00 62.32 N ATOM 0 H LYS A 49 -10.878 -3.362 4.761 1.00 52.20 H new ATOM 0 HA LYS A 49 -12.094 -1.489 6.390 1.00 12.52 H new ATOM 0 HB2 LYS A 49 -12.797 -3.815 5.028 1.00 22.23 H new ATOM 0 HB3 LYS A 49 -13.095 -4.245 6.700 1.00 22.23 H new ATOM 0 HG2 LYS A 49 -14.773 -2.656 6.966 1.00 32.40 H new ATOM 0 HG3 LYS A 49 -14.132 -1.604 5.720 1.00 32.40 H new ATOM 0 HD2 LYS A 49 -14.716 -3.808 4.216 1.00 64.43 H new ATOM 0 HD3 LYS A 49 -15.929 -3.971 5.470 1.00 64.43 H new ATOM 0 HE2 LYS A 49 -15.819 -1.203 4.644 1.00 25.10 H new ATOM 0 HE3 LYS A 49 -15.941 -2.210 3.215 1.00 25.10 H new ATOM 0 HZ1 LYS A 49 -18.118 -1.635 4.070 1.00 62.32 H new ATOM 0 HZ2 LYS A 49 -17.873 -3.311 4.189 1.00 62.32 H new ATOM 0 HZ3 LYS A 49 -17.754 -2.336 5.574 1.00 62.32 H new ATOM 767 N LYS A 50 -11.020 -4.099 8.129 1.00 22.32 N ATOM 768 CA LYS A 50 -10.628 -4.533 9.465 1.00 71.31 C ATOM 769 C LYS A 50 -10.182 -5.992 9.454 1.00 1.12 C ATOM 770 O LYS A 50 -8.988 -6.286 9.520 1.00 53.01 O ATOM 771 CB LYS A 50 -11.790 -4.352 10.444 1.00 54.32 C ATOM 772 CG LYS A 50 -11.589 -3.206 11.421 1.00 33.40 C ATOM 773 CD LYS A 50 -10.910 -3.675 12.697 1.00 42.21 C ATOM 774 CE LYS A 50 -11.925 -4.120 13.738 1.00 12.42 C ATOM 775 NZ LYS A 50 -11.277 -4.820 14.881 1.00 20.32 N ATOM 0 H LYS A 50 -10.945 -4.821 7.413 1.00 22.32 H new ATOM 0 HA LYS A 50 -9.789 -3.917 9.788 1.00 71.31 H new ATOM 0 HB2 LYS A 50 -12.706 -4.181 9.879 1.00 54.32 H new ATOM 0 HB3 LYS A 50 -11.929 -5.276 11.005 1.00 54.32 H new ATOM 0 HG2 LYS A 50 -10.987 -2.428 10.952 1.00 33.40 H new ATOM 0 HG3 LYS A 50 -12.553 -2.760 11.664 1.00 33.40 H new ATOM 0 HD2 LYS A 50 -10.236 -4.500 12.469 1.00 42.21 H new ATOM 0 HD3 LYS A 50 -10.300 -2.868 13.104 1.00 42.21 H new ATOM 0 HE2 LYS A 50 -12.471 -3.252 14.107 1.00 12.42 H new ATOM 0 HE3 LYS A 50 -12.655 -4.783 13.273 1.00 12.42 H new ATOM 0 HZ1 LYS A 50 -12.003 -5.107 15.569 1.00 20.32 H new ATOM 0 HZ2 LYS A 50 -10.776 -5.663 14.533 1.00 20.32 H new ATOM 0 HZ3 LYS A 50 -10.599 -4.180 15.341 1.00 20.32 H new ATOM 789 N ARG A 51 -11.148 -6.901 9.369 1.00 2.25 N ATOM 790 CA ARG A 51 -10.854 -8.329 9.350 1.00 44.44 C ATOM 791 C ARG A 51 -10.628 -8.818 7.922 1.00 54.52 C ATOM 792 O ARG A 51 -11.201 -9.823 7.500 1.00 22.12 O ATOM 793 CB ARG A 51 -11.996 -9.115 9.995 1.00 22.33 C ATOM 794 CG ARG A 51 -11.551 -10.421 10.634 1.00 72.13 C ATOM 795 CD ARG A 51 -12.517 -11.553 10.318 1.00 43.32 C ATOM 796 NE ARG A 51 -11.970 -12.857 10.683 1.00 10.31 N ATOM 797 CZ ARG A 51 -12.618 -14.002 10.501 1.00 24.24 C ATOM 798 NH1 ARG A 51 -13.829 -14.004 9.961 1.00 25.54 N ATOM 799 NH2 ARG A 51 -12.054 -15.149 10.860 1.00 43.44 N ATOM 0 H ARG A 51 -12.141 -6.674 9.312 1.00 2.25 H new ATOM 0 HA ARG A 51 -9.941 -8.494 9.921 1.00 44.44 H new ATOM 0 HB2 ARG A 51 -12.471 -8.493 10.753 1.00 22.33 H new ATOM 0 HB3 ARG A 51 -12.751 -9.329 9.239 1.00 22.33 H new ATOM 0 HG2 ARG A 51 -10.555 -10.681 10.277 1.00 72.13 H new ATOM 0 HG3 ARG A 51 -11.479 -10.293 11.714 1.00 72.13 H new ATOM 0 HD2 ARG A 51 -13.453 -11.390 10.852 1.00 43.32 H new ATOM 0 HD3 ARG A 51 -12.751 -11.543 9.254 1.00 43.32 H new ATOM 0 HE ARG A 51 -11.040 -12.890 11.100 1.00 10.31 H new ATOM 0 HH11 ARG A 51 -14.265 -13.125 9.684 1.00 25.54 H new ATOM 0 HH12 ARG A 51 -14.324 -14.885 9.822 1.00 25.54 H new ATOM 0 HH21 ARG A 51 -11.123 -15.151 11.276 1.00 43.44 H new ATOM 0 HH22 ARG A 51 -12.552 -16.028 10.720 1.00 43.44 H new ATOM 813 N THR A 52 -9.791 -8.099 7.181 1.00 44.22 N ATOM 814 CA THR A 52 -9.491 -8.458 5.800 1.00 1.44 C ATOM 815 C THR A 52 -8.064 -8.977 5.665 1.00 51.23 C ATOM 816 O THR A 52 -7.102 -8.243 5.891 1.00 51.21 O ATOM 817 CB THR A 52 -9.680 -7.257 4.854 1.00 34.21 C ATOM 818 OG1 THR A 52 -10.584 -6.311 5.437 1.00 24.43 O ATOM 819 CG2 THR A 52 -10.216 -7.711 3.504 1.00 24.34 C ATOM 0 H THR A 52 -9.309 -7.264 7.514 1.00 44.22 H new ATOM 0 HA THR A 52 -10.190 -9.246 5.519 1.00 1.44 H new ATOM 0 HB THR A 52 -8.709 -6.786 4.703 1.00 34.21 H new ATOM 0 HG1 THR A 52 -10.946 -5.730 4.736 1.00 24.43 H new ATOM 0 HG21 THR A 52 -10.341 -6.846 2.853 1.00 24.34 H new ATOM 0 HG22 THR A 52 -9.513 -8.409 3.049 1.00 24.34 H new ATOM 0 HG23 THR A 52 -11.178 -8.204 3.642 1.00 24.34 H new ATOM 827 N SER A 53 -7.934 -10.246 5.293 1.00 30.55 N ATOM 828 CA SER A 53 -6.624 -10.865 5.131 1.00 45.15 C ATOM 829 C SER A 53 -5.978 -10.433 3.817 1.00 15.22 C ATOM 830 O SER A 53 -6.558 -9.661 3.052 1.00 61.25 O ATOM 831 CB SER A 53 -6.746 -12.389 5.174 1.00 34.23 C ATOM 832 OG SER A 53 -7.950 -12.821 4.565 1.00 74.43 O ATOM 0 H SER A 53 -8.720 -10.866 5.098 1.00 30.55 H new ATOM 0 HA SER A 53 -5.990 -10.535 5.954 1.00 45.15 H new ATOM 0 HB2 SER A 53 -5.895 -12.840 4.664 1.00 34.23 H new ATOM 0 HB3 SER A 53 -6.715 -12.730 6.209 1.00 34.23 H new ATOM 0 HG SER A 53 -8.004 -13.799 4.604 1.00 74.43 H new ATOM 838 N LEU A 54 -4.775 -10.936 3.563 1.00 55.41 N ATOM 839 CA LEU A 54 -4.050 -10.603 2.342 1.00 4.31 C ATOM 840 C LEU A 54 -4.916 -10.844 1.110 1.00 30.42 C ATOM 841 O LEU A 54 -4.766 -10.171 0.092 1.00 43.54 O ATOM 842 CB LEU A 54 -2.766 -11.429 2.247 1.00 30.40 C ATOM 843 CG LEU A 54 -1.863 -11.131 1.050 1.00 61.54 C ATOM 844 CD1 LEU A 54 -1.545 -9.646 0.978 1.00 64.14 C ATOM 845 CD2 LEU A 54 -0.583 -11.950 1.131 1.00 45.23 C ATOM 0 H LEU A 54 -4.281 -11.575 4.186 1.00 55.41 H new ATOM 0 HA LEU A 54 -3.792 -9.545 2.379 1.00 4.31 H new ATOM 0 HB2 LEU A 54 -2.190 -11.274 3.159 1.00 30.40 H new ATOM 0 HB3 LEU A 54 -3.038 -12.484 2.218 1.00 30.40 H new ATOM 0 HG LEU A 54 -2.393 -11.412 0.140 1.00 61.54 H new ATOM 0 HD11 LEU A 54 -0.901 -9.453 0.120 1.00 64.14 H new ATOM 0 HD12 LEU A 54 -2.471 -9.080 0.872 1.00 64.14 H new ATOM 0 HD13 LEU A 54 -1.035 -9.339 1.891 1.00 64.14 H new ATOM 0 HD21 LEU A 54 0.048 -11.725 0.271 1.00 45.23 H new ATOM 0 HD22 LEU A 54 -0.049 -11.701 2.048 1.00 45.23 H new ATOM 0 HD23 LEU A 54 -0.830 -13.012 1.132 1.00 45.23 H new ATOM 857 N ALA A 55 -5.824 -11.809 1.212 1.00 34.12 N ATOM 858 CA ALA A 55 -6.718 -12.137 0.108 1.00 0.31 C ATOM 859 C ALA A 55 -7.463 -10.899 -0.381 1.00 61.30 C ATOM 860 O ALA A 55 -7.759 -10.770 -1.568 1.00 41.21 O ATOM 861 CB ALA A 55 -7.704 -13.216 0.530 1.00 62.35 C ATOM 0 H ALA A 55 -5.960 -12.377 2.048 1.00 34.12 H new ATOM 0 HA ALA A 55 -6.114 -12.515 -0.717 1.00 0.31 H new ATOM 0 HB1 ALA A 55 -8.365 -13.451 -0.304 1.00 62.35 H new ATOM 0 HB2 ALA A 55 -7.158 -14.113 0.824 1.00 62.35 H new ATOM 0 HB3 ALA A 55 -8.296 -12.859 1.373 1.00 62.35 H new ATOM 867 N GLY A 56 -7.764 -9.991 0.543 1.00 61.53 N ATOM 868 CA GLY A 56 -8.473 -8.777 0.186 1.00 42.44 C ATOM 869 C GLY A 56 -7.628 -7.838 -0.653 1.00 54.03 C ATOM 870 O GLY A 56 -8.096 -7.301 -1.657 1.00 15.02 O ATOM 0 H GLY A 56 -7.529 -10.075 1.532 1.00 61.53 H new ATOM 0 HA2 GLY A 56 -9.378 -9.036 -0.364 1.00 42.44 H new ATOM 0 HA3 GLY A 56 -8.788 -8.264 1.094 1.00 42.44 H new ATOM 874 N MET A 57 -6.381 -7.638 -0.241 1.00 21.42 N ATOM 875 CA MET A 57 -5.470 -6.757 -0.962 1.00 23.31 C ATOM 876 C MET A 57 -5.024 -7.393 -2.275 1.00 24.23 C ATOM 877 O MET A 57 -5.057 -6.756 -3.328 1.00 23.31 O ATOM 878 CB MET A 57 -4.249 -6.433 -0.098 1.00 73.11 C ATOM 879 CG MET A 57 -4.591 -5.686 1.181 1.00 71.12 C ATOM 880 SD MET A 57 -4.461 -3.897 0.996 1.00 31.23 S ATOM 881 CE MET A 57 -5.915 -3.552 0.009 1.00 60.12 C ATOM 0 H MET A 57 -5.978 -8.074 0.588 1.00 21.42 H new ATOM 0 HA MET A 57 -6.001 -5.833 -1.189 1.00 23.31 H new ATOM 0 HB2 MET A 57 -3.739 -7.361 0.158 1.00 73.11 H new ATOM 0 HB3 MET A 57 -3.549 -5.835 -0.682 1.00 73.11 H new ATOM 0 HG2 MET A 57 -5.605 -5.943 1.487 1.00 71.12 H new ATOM 0 HG3 MET A 57 -3.924 -6.014 1.978 1.00 71.12 H new ATOM 0 HE1 MET A 57 -6.433 -2.684 0.416 1.00 60.12 H new ATOM 0 HE2 MET A 57 -5.617 -3.348 -1.019 1.00 60.12 H new ATOM 0 HE3 MET A 57 -6.581 -4.414 0.029 1.00 60.12 H new ATOM 891 N LYS A 58 -4.606 -8.653 -2.205 1.00 51.30 N ATOM 892 CA LYS A 58 -4.154 -9.376 -3.388 1.00 1.14 C ATOM 893 C LYS A 58 -5.225 -9.368 -4.473 1.00 54.42 C ATOM 894 O LYS A 58 -4.917 -9.388 -5.665 1.00 1.11 O ATOM 895 CB LYS A 58 -3.794 -10.818 -3.022 1.00 51.23 C ATOM 896 CG LYS A 58 -2.588 -11.353 -3.775 1.00 32.12 C ATOM 897 CD LYS A 58 -2.234 -12.762 -3.331 1.00 31.35 C ATOM 898 CE LYS A 58 -1.648 -12.774 -1.927 1.00 44.52 C ATOM 899 NZ LYS A 58 -0.690 -13.898 -1.735 1.00 41.33 N ATOM 0 H LYS A 58 -4.571 -9.194 -1.341 1.00 51.30 H new ATOM 0 HA LYS A 58 -3.268 -8.873 -3.774 1.00 1.14 H new ATOM 0 HB2 LYS A 58 -3.598 -10.874 -1.951 1.00 51.23 H new ATOM 0 HB3 LYS A 58 -4.652 -11.460 -3.223 1.00 51.23 H new ATOM 0 HG2 LYS A 58 -2.795 -11.349 -4.845 1.00 32.12 H new ATOM 0 HG3 LYS A 58 -1.735 -10.694 -3.613 1.00 32.12 H new ATOM 0 HD2 LYS A 58 -3.126 -13.388 -3.359 1.00 31.35 H new ATOM 0 HD3 LYS A 58 -1.518 -13.195 -4.029 1.00 31.35 H new ATOM 0 HE2 LYS A 58 -1.141 -11.828 -1.737 1.00 44.52 H new ATOM 0 HE3 LYS A 58 -2.454 -12.855 -1.198 1.00 44.52 H new ATOM 0 HZ1 LYS A 58 -0.587 -14.096 -0.719 1.00 41.33 H new ATOM 0 HZ2 LYS A 58 -1.048 -14.746 -2.219 1.00 41.33 H new ATOM 0 HZ3 LYS A 58 0.235 -13.638 -2.133 1.00 41.33 H new ATOM 913 N LYS A 59 -6.486 -9.336 -4.054 1.00 22.32 N ATOM 914 CA LYS A 59 -7.604 -9.322 -4.990 1.00 21.35 C ATOM 915 C LYS A 59 -7.531 -8.105 -5.906 1.00 70.32 C ATOM 916 O LYS A 59 -7.946 -8.162 -7.064 1.00 54.14 O ATOM 917 CB LYS A 59 -8.932 -9.323 -4.229 1.00 51.42 C ATOM 918 CG LYS A 59 -9.873 -10.438 -4.650 1.00 14.03 C ATOM 919 CD LYS A 59 -10.678 -10.962 -3.472 1.00 61.21 C ATOM 920 CE LYS A 59 -11.384 -12.265 -3.815 1.00 51.14 C ATOM 921 NZ LYS A 59 -12.735 -12.344 -3.193 1.00 61.24 N ATOM 0 H LYS A 59 -6.759 -9.319 -3.071 1.00 22.32 H new ATOM 0 HA LYS A 59 -7.543 -10.221 -5.604 1.00 21.35 H new ATOM 0 HB2 LYS A 59 -8.730 -9.413 -3.162 1.00 51.42 H new ATOM 0 HB3 LYS A 59 -9.428 -8.364 -4.379 1.00 51.42 H new ATOM 0 HG2 LYS A 59 -10.551 -10.072 -5.421 1.00 14.03 H new ATOM 0 HG3 LYS A 59 -9.299 -11.253 -5.091 1.00 14.03 H new ATOM 0 HD2 LYS A 59 -10.017 -11.118 -2.619 1.00 61.21 H new ATOM 0 HD3 LYS A 59 -11.414 -10.216 -3.172 1.00 61.21 H new ATOM 0 HE2 LYS A 59 -11.477 -12.354 -4.897 1.00 51.14 H new ATOM 0 HE3 LYS A 59 -10.779 -13.106 -3.477 1.00 51.14 H new ATOM 0 HZ1 LYS A 59 -13.183 -13.246 -3.450 1.00 61.24 H new ATOM 0 HZ2 LYS A 59 -12.645 -12.285 -2.159 1.00 61.24 H new ATOM 0 HZ3 LYS A 59 -13.321 -11.556 -3.535 1.00 61.24 H new ATOM 935 N LEU A 60 -7.000 -7.006 -5.382 1.00 22.52 N ATOM 936 CA LEU A 60 -6.871 -5.775 -6.154 1.00 21.42 C ATOM 937 C LEU A 60 -5.644 -5.826 -7.059 1.00 73.31 C ATOM 938 O LEU A 60 -5.680 -5.354 -8.196 1.00 3.44 O ATOM 939 CB LEU A 60 -6.778 -4.570 -5.217 1.00 3.12 C ATOM 940 CG LEU A 60 -8.089 -4.115 -4.576 1.00 54.44 C ATOM 941 CD1 LEU A 60 -8.437 -4.997 -3.387 1.00 53.53 C ATOM 942 CD2 LEU A 60 -7.998 -2.656 -4.152 1.00 63.02 C ATOM 0 H LEU A 60 -6.652 -6.942 -4.425 1.00 22.52 H new ATOM 0 HA LEU A 60 -7.757 -5.673 -6.780 1.00 21.42 H new ATOM 0 HB2 LEU A 60 -6.071 -4.807 -4.422 1.00 3.12 H new ATOM 0 HB3 LEU A 60 -6.360 -3.732 -5.775 1.00 3.12 H new ATOM 0 HG LEU A 60 -8.884 -4.208 -5.316 1.00 54.44 H new ATOM 0 HD11 LEU A 60 -9.373 -4.658 -2.944 1.00 53.53 H new ATOM 0 HD12 LEU A 60 -8.546 -6.029 -3.719 1.00 53.53 H new ATOM 0 HD13 LEU A 60 -7.641 -4.937 -2.644 1.00 53.53 H new ATOM 0 HD21 LEU A 60 -8.940 -2.350 -3.698 1.00 63.02 H new ATOM 0 HD22 LEU A 60 -7.191 -2.537 -3.429 1.00 63.02 H new ATOM 0 HD23 LEU A 60 -7.797 -2.035 -5.025 1.00 63.02 H new ATOM 954 N ILE A 61 -4.562 -6.404 -6.549 1.00 32.14 N ATOM 955 CA ILE A 61 -3.326 -6.520 -7.312 1.00 52.44 C ATOM 956 C ILE A 61 -2.692 -7.894 -7.127 1.00 41.13 C ATOM 957 O ILE A 61 -1.701 -8.057 -6.415 1.00 42.13 O ATOM 958 CB ILE A 61 -2.309 -5.438 -6.904 1.00 2.12 C ATOM 959 CG1 ILE A 61 -2.939 -4.048 -7.010 1.00 51.24 C ATOM 960 CG2 ILE A 61 -1.062 -5.528 -7.772 1.00 34.35 C ATOM 961 CD1 ILE A 61 -3.528 -3.550 -5.709 1.00 75.12 C ATOM 0 H ILE A 61 -4.516 -6.799 -5.610 1.00 32.14 H new ATOM 0 HA ILE A 61 -3.589 -6.383 -8.361 1.00 52.44 H new ATOM 0 HB ILE A 61 -2.019 -5.606 -5.867 1.00 2.12 H new ATOM 0 HG12 ILE A 61 -2.183 -3.341 -7.351 1.00 51.24 H new ATOM 0 HG13 ILE A 61 -3.721 -4.070 -7.769 1.00 51.24 H new ATOM 0 HG21 ILE A 61 -0.353 -4.757 -7.471 1.00 34.35 H new ATOM 0 HG22 ILE A 61 -0.604 -6.510 -7.650 1.00 34.35 H new ATOM 0 HG23 ILE A 61 -1.335 -5.382 -8.817 1.00 34.35 H new ATOM 0 HD11 ILE A 61 -3.957 -2.559 -5.859 1.00 75.12 H new ATOM 0 HD12 ILE A 61 -4.307 -4.236 -5.376 1.00 75.12 H new ATOM 0 HD13 ILE A 61 -2.745 -3.496 -4.952 1.00 75.12 H new ATOM 973 N PRO A 62 -3.274 -8.908 -7.784 1.00 55.34 N ATOM 974 CA PRO A 62 -2.782 -10.286 -7.710 1.00 63.32 C ATOM 975 C PRO A 62 -1.445 -10.463 -8.423 1.00 31.33 C ATOM 976 O PRO A 62 -1.379 -10.453 -9.651 1.00 53.31 O ATOM 977 CB PRO A 62 -3.875 -11.092 -8.416 1.00 62.32 C ATOM 978 CG PRO A 62 -4.525 -10.121 -9.340 1.00 64.12 C ATOM 979 CD PRO A 62 -4.459 -8.786 -8.651 1.00 62.21 C ATOM 0 HA PRO A 62 -2.600 -10.599 -6.682 1.00 63.32 H new ATOM 0 HB2 PRO A 62 -3.454 -11.937 -8.962 1.00 62.32 H new ATOM 0 HB3 PRO A 62 -4.591 -11.499 -7.702 1.00 62.32 H new ATOM 0 HG2 PRO A 62 -4.009 -10.091 -10.300 1.00 64.12 H new ATOM 0 HG3 PRO A 62 -5.558 -10.405 -9.542 1.00 64.12 H new ATOM 0 HD2 PRO A 62 -4.352 -7.970 -9.366 1.00 62.21 H new ATOM 0 HD3 PRO A 62 -5.361 -8.587 -8.073 1.00 62.21 H new ATOM 987 N GLY A 63 -0.381 -10.627 -7.643 1.00 3.44 N ATOM 988 CA GLY A 63 0.940 -10.804 -8.217 1.00 50.14 C ATOM 989 C GLY A 63 1.932 -9.772 -7.719 1.00 64.22 C ATOM 990 O GLY A 63 2.787 -9.308 -8.474 1.00 14.14 O ATOM 0 H GLY A 63 -0.410 -10.640 -6.624 1.00 3.44 H new ATOM 0 HA2 GLY A 63 1.307 -11.802 -7.976 1.00 50.14 H new ATOM 0 HA3 GLY A 63 0.872 -10.743 -9.303 1.00 50.14 H new ATOM 994 N ALA A 64 1.819 -9.411 -6.445 1.00 71.22 N ATOM 995 CA ALA A 64 2.714 -8.428 -5.847 1.00 73.21 C ATOM 996 C ALA A 64 3.218 -8.901 -4.488 1.00 4.51 C ATOM 997 O ALA A 64 2.723 -9.885 -3.939 1.00 25.35 O ATOM 998 CB ALA A 64 2.010 -7.086 -5.714 1.00 14.04 C ATOM 0 H ALA A 64 1.116 -9.785 -5.807 1.00 71.22 H new ATOM 0 HA ALA A 64 3.576 -8.310 -6.504 1.00 73.21 H new ATOM 0 HB1 ALA A 64 2.690 -6.361 -5.266 1.00 14.04 H new ATOM 0 HB2 ALA A 64 1.705 -6.736 -6.700 1.00 14.04 H new ATOM 0 HB3 ALA A 64 1.130 -7.198 -5.080 1.00 14.04 H new ATOM 1004 N HIS A 65 4.207 -8.193 -3.950 1.00 52.22 N ATOM 1005 CA HIS A 65 4.779 -8.540 -2.654 1.00 72.32 C ATOM 1006 C HIS A 65 4.117 -7.741 -1.536 1.00 53.31 C ATOM 1007 O HIS A 65 4.264 -6.521 -1.460 1.00 42.33 O ATOM 1008 CB HIS A 65 6.287 -8.287 -2.654 1.00 74.20 C ATOM 1009 CG HIS A 65 7.021 -9.044 -1.590 1.00 71.05 C ATOM 1010 ND1 HIS A 65 8.299 -9.532 -1.761 1.00 23.24 N ATOM 1011 CD2 HIS A 65 6.650 -9.394 -0.337 1.00 32.32 C ATOM 1012 CE1 HIS A 65 8.682 -10.152 -0.658 1.00 40.53 C ATOM 1013 NE2 HIS A 65 7.699 -10.082 0.221 1.00 3.35 N ATOM 0 H HIS A 65 4.628 -7.376 -4.392 1.00 52.22 H new ATOM 0 HA HIS A 65 4.596 -9.600 -2.476 1.00 72.32 H new ATOM 0 HB2 HIS A 65 6.693 -8.560 -3.628 1.00 74.20 H new ATOM 0 HB3 HIS A 65 6.468 -7.221 -2.520 1.00 74.20 H new ATOM 0 HD2 HIS A 65 5.705 -9.173 0.136 1.00 32.32 H new ATOM 0 HE1 HIS A 65 9.636 -10.634 -0.502 1.00 40.53 H new ATOM 0 HE2 HIS A 65 7.716 -10.475 1.162 1.00 3.35 H new ATOM 1021 N PHE A 66 3.386 -8.436 -0.671 1.00 2.14 N ATOM 1022 CA PHE A 66 2.700 -7.790 0.442 1.00 32.44 C ATOM 1023 C PHE A 66 3.304 -8.220 1.776 1.00 12.43 C ATOM 1024 O PHE A 66 3.952 -9.261 1.869 1.00 62.33 O ATOM 1025 CB PHE A 66 1.208 -8.127 0.413 1.00 34.24 C ATOM 1026 CG PHE A 66 0.373 -7.094 -0.288 1.00 43.13 C ATOM 1027 CD1 PHE A 66 0.327 -7.045 -1.672 1.00 72.12 C ATOM 1028 CD2 PHE A 66 -0.364 -6.171 0.436 1.00 21.11 C ATOM 1029 CE1 PHE A 66 -0.440 -6.096 -2.321 1.00 52.31 C ATOM 1030 CE2 PHE A 66 -1.133 -5.220 -0.207 1.00 41.22 C ATOM 1031 CZ PHE A 66 -1.170 -5.181 -1.587 1.00 71.34 C ATOM 0 H PHE A 66 3.253 -9.446 -0.719 1.00 2.14 H new ATOM 0 HA PHE A 66 2.824 -6.712 0.337 1.00 32.44 H new ATOM 0 HB2 PHE A 66 1.071 -9.089 -0.080 1.00 34.24 H new ATOM 0 HB3 PHE A 66 0.849 -8.239 1.436 1.00 34.24 H new ATOM 0 HD1 PHE A 66 0.897 -7.757 -2.250 1.00 72.12 H new ATOM 0 HD2 PHE A 66 -0.337 -6.195 1.515 1.00 21.11 H new ATOM 0 HE1 PHE A 66 -0.469 -6.070 -3.400 1.00 52.31 H new ATOM 0 HE2 PHE A 66 -1.705 -4.508 0.369 1.00 41.22 H new ATOM 0 HZ PHE A 66 -1.768 -4.437 -2.091 1.00 71.34 H new ATOM 1041 N GLU A 67 3.086 -7.408 2.806 1.00 34.14 N ATOM 1042 CA GLU A 67 3.610 -7.703 4.135 1.00 74.12 C ATOM 1043 C GLU A 67 2.753 -7.050 5.215 1.00 13.32 C ATOM 1044 O GLU A 67 2.723 -5.826 5.345 1.00 51.32 O ATOM 1045 CB GLU A 67 5.057 -7.221 4.255 1.00 12.12 C ATOM 1046 CG GLU A 67 5.883 -8.019 5.250 1.00 44.52 C ATOM 1047 CD GLU A 67 6.449 -7.157 6.362 1.00 41.11 C ATOM 1048 OE1 GLU A 67 5.678 -6.770 7.264 1.00 34.03 O ATOM 1049 OE2 GLU A 67 7.664 -6.870 6.329 1.00 2.15 O ATOM 0 H GLU A 67 2.551 -6.542 2.746 1.00 34.14 H new ATOM 0 HA GLU A 67 3.582 -8.783 4.277 1.00 74.12 H new ATOM 0 HB2 GLU A 67 5.532 -7.275 3.275 1.00 12.12 H new ATOM 0 HB3 GLU A 67 5.058 -6.172 4.552 1.00 12.12 H new ATOM 0 HG2 GLU A 67 5.264 -8.804 5.683 1.00 44.52 H new ATOM 0 HG3 GLU A 67 6.701 -8.512 4.725 1.00 44.52 H new ATOM 1056 N LYS A 68 2.056 -7.875 5.989 1.00 72.11 N ATOM 1057 CA LYS A 68 1.198 -7.380 7.059 1.00 21.21 C ATOM 1058 C LYS A 68 1.726 -7.812 8.423 1.00 23.04 C ATOM 1059 O LYS A 68 0.983 -7.850 9.404 1.00 54.52 O ATOM 1060 CB LYS A 68 -0.233 -7.889 6.870 1.00 1.32 C ATOM 1061 CG LYS A 68 -1.255 -7.160 7.725 1.00 53.54 C ATOM 1062 CD LYS A 68 -2.286 -8.117 8.299 1.00 54.42 C ATOM 1063 CE LYS A 68 -3.480 -7.370 8.874 1.00 74.21 C ATOM 1064 NZ LYS A 68 -3.447 -7.333 10.362 1.00 3.32 N ATOM 0 H LYS A 68 2.069 -8.891 5.895 1.00 72.11 H new ATOM 0 HA LYS A 68 1.198 -6.291 7.017 1.00 21.21 H new ATOM 0 HB2 LYS A 68 -0.510 -7.787 5.821 1.00 1.32 H new ATOM 0 HB3 LYS A 68 -0.266 -8.952 7.107 1.00 1.32 H new ATOM 0 HG2 LYS A 68 -0.747 -6.641 8.538 1.00 53.54 H new ATOM 0 HG3 LYS A 68 -1.756 -6.400 7.126 1.00 53.54 H new ATOM 0 HD2 LYS A 68 -2.624 -8.800 7.520 1.00 54.42 H new ATOM 0 HD3 LYS A 68 -1.826 -8.725 9.078 1.00 54.42 H new ATOM 0 HE2 LYS A 68 -3.493 -6.352 8.486 1.00 74.21 H new ATOM 0 HE3 LYS A 68 -4.402 -7.849 8.543 1.00 74.21 H new ATOM 0 HZ1 LYS A 68 -4.277 -6.815 10.715 1.00 3.32 H new ATOM 0 HZ2 LYS A 68 -3.461 -8.304 10.734 1.00 3.32 H new ATOM 0 HZ3 LYS A 68 -2.580 -6.853 10.678 1.00 3.32 H new ATOM 1078 N ARG A 69 3.014 -8.136 8.479 1.00 41.41 N ATOM 1079 CA ARG A 69 3.641 -8.564 9.723 1.00 21.33 C ATOM 1080 C ARG A 69 4.044 -7.361 10.572 1.00 72.54 C ATOM 1081 O ARG A 69 4.694 -7.509 11.606 1.00 22.14 O ATOM 1082 CB ARG A 69 4.869 -9.428 9.429 1.00 33.44 C ATOM 1083 CG ARG A 69 4.788 -10.824 10.027 1.00 44.14 C ATOM 1084 CD ARG A 69 6.172 -11.412 10.257 1.00 53.14 C ATOM 1085 NE ARG A 69 6.109 -12.807 10.682 1.00 24.55 N ATOM 1086 CZ ARG A 69 7.154 -13.628 10.667 1.00 11.11 C ATOM 1087 NH1 ARG A 69 8.335 -13.195 10.250 1.00 44.54 N ATOM 1088 NH2 ARG A 69 7.018 -14.885 11.070 1.00 10.23 N ATOM 0 H ARG A 69 3.643 -8.110 7.677 1.00 41.41 H new ATOM 0 HA ARG A 69 2.915 -9.154 10.282 1.00 21.33 H new ATOM 0 HB2 ARG A 69 4.995 -9.511 8.349 1.00 33.44 H new ATOM 0 HB3 ARG A 69 5.756 -8.927 9.816 1.00 33.44 H new ATOM 0 HG2 ARG A 69 4.246 -10.785 10.972 1.00 44.14 H new ATOM 0 HG3 ARG A 69 4.221 -11.474 9.361 1.00 44.14 H new ATOM 0 HD2 ARG A 69 6.754 -11.339 9.339 1.00 53.14 H new ATOM 0 HD3 ARG A 69 6.694 -10.826 11.013 1.00 53.14 H new ATOM 0 HE ARG A 69 5.214 -13.172 11.008 1.00 24.55 H new ATOM 0 HH11 ARG A 69 8.444 -12.229 9.940 1.00 44.54 H new ATOM 0 HH12 ARG A 69 9.135 -13.827 10.240 1.00 44.54 H new ATOM 0 HH21 ARG A 69 6.111 -15.222 11.392 1.00 10.23 H new ATOM 0 HH22 ARG A 69 7.821 -15.514 11.058 1.00 10.23 H new ATOM 1102 N ARG A 70 3.653 -6.172 10.126 1.00 61.03 N ATOM 1103 CA ARG A 70 3.975 -4.944 10.843 1.00 51.04 C ATOM 1104 C ARG A 70 5.467 -4.637 10.753 1.00 30.32 C ATOM 1105 O ARG A 70 6.168 -4.617 11.764 1.00 45.44 O ATOM 1106 CB ARG A 70 3.554 -5.059 12.309 1.00 51.12 C ATOM 1107 CG ARG A 70 3.392 -3.717 13.003 1.00 1.50 C ATOM 1108 CD ARG A 70 3.539 -3.848 14.511 1.00 51.11 C ATOM 1109 NE ARG A 70 2.759 -4.963 15.042 1.00 52.53 N ATOM 1110 CZ ARG A 70 2.859 -5.400 16.292 1.00 61.31 C ATOM 1111 NH1 ARG A 70 3.702 -4.820 17.135 1.00 33.13 N ATOM 1112 NH2 ARG A 70 2.115 -6.420 16.701 1.00 61.13 N ATOM 0 H ARG A 70 3.113 -6.033 9.272 1.00 61.03 H new ATOM 0 HA ARG A 70 3.425 -4.126 10.377 1.00 51.04 H new ATOM 0 HB2 ARG A 70 2.612 -5.604 12.366 1.00 51.12 H new ATOM 0 HB3 ARG A 70 4.297 -5.649 12.846 1.00 51.12 H new ATOM 0 HG2 ARG A 70 4.137 -3.018 12.623 1.00 1.50 H new ATOM 0 HG3 ARG A 70 2.413 -3.300 12.767 1.00 1.50 H new ATOM 0 HD2 ARG A 70 4.590 -3.989 14.762 1.00 51.11 H new ATOM 0 HD3 ARG A 70 3.219 -2.922 14.988 1.00 51.11 H new ATOM 0 HE ARG A 70 2.102 -5.432 14.419 1.00 52.53 H new ATOM 0 HH11 ARG A 70 4.276 -4.036 16.824 1.00 33.13 H new ATOM 0 HH12 ARG A 70 3.777 -5.158 18.095 1.00 33.13 H new ATOM 0 HH21 ARG A 70 1.466 -6.869 16.055 1.00 61.13 H new ATOM 0 HH22 ARG A 70 2.192 -6.755 17.661 1.00 61.13 H new ATOM 1126 N GLY A 71 5.945 -4.400 9.535 1.00 4.05 N ATOM 1127 CA GLY A 71 7.351 -4.098 9.336 1.00 30.55 C ATOM 1128 C GLY A 71 7.790 -2.859 10.090 1.00 43.43 C ATOM 1129 O GLY A 71 8.957 -2.728 10.461 1.00 64.45 O ATOM 0 H GLY A 71 5.384 -4.412 8.683 1.00 4.05 H new ATOM 0 HA2 GLY A 71 7.951 -4.948 9.660 1.00 30.55 H new ATOM 0 HA3 GLY A 71 7.543 -3.959 8.272 1.00 30.55 H new ATOM 1133 N THR A 72 6.854 -1.943 10.316 1.00 13.42 N ATOM 1134 CA THR A 72 7.151 -0.706 11.027 1.00 14.44 C ATOM 1135 C THR A 72 5.895 0.141 11.206 1.00 24.31 C ATOM 1136 O THR A 72 5.947 1.368 11.127 1.00 64.33 O ATOM 1137 CB THR A 72 8.216 0.126 10.288 1.00 74.13 C ATOM 1138 OG1 THR A 72 8.541 1.294 11.049 1.00 13.30 O ATOM 1139 CG2 THR A 72 7.721 0.534 8.908 1.00 3.53 C ATOM 0 H THR A 72 5.883 -2.035 10.017 1.00 13.42 H new ATOM 0 HA THR A 72 7.537 -0.990 12.006 1.00 14.44 H new ATOM 0 HB THR A 72 9.108 -0.489 10.170 1.00 74.13 H new ATOM 0 HG1 THR A 72 7.716 1.759 11.303 1.00 13.30 H new ATOM 0 HG21 THR A 72 8.489 1.121 8.405 1.00 3.53 H new ATOM 0 HG22 THR A 72 7.503 -0.358 8.321 1.00 3.53 H new ATOM 0 HG23 THR A 72 6.815 1.132 9.008 1.00 3.53 H new ATOM 1147 N GLN A 73 4.769 -0.523 11.448 1.00 5.31 N ATOM 1148 CA GLN A 73 3.501 0.170 11.638 1.00 12.31 C ATOM 1149 C GLN A 73 3.665 1.357 12.582 1.00 52.34 C ATOM 1150 O GLN A 73 4.272 1.239 13.645 1.00 31.50 O ATOM 1151 CB GLN A 73 2.447 -0.792 12.189 1.00 61.23 C ATOM 1152 CG GLN A 73 1.097 -0.139 12.436 1.00 33.31 C ATOM 1153 CD GLN A 73 1.031 0.579 13.770 1.00 64.05 C ATOM 1154 OE1 GLN A 73 1.583 0.112 14.767 1.00 51.53 O ATOM 1155 NE2 GLN A 73 0.355 1.721 13.794 1.00 10.44 N ATOM 0 H GLN A 73 4.709 -1.539 11.517 1.00 5.31 H new ATOM 0 HA GLN A 73 3.171 0.543 10.668 1.00 12.31 H new ATOM 0 HB2 GLN A 73 2.319 -1.618 11.489 1.00 61.23 H new ATOM 0 HB3 GLN A 73 2.811 -1.220 13.123 1.00 61.23 H new ATOM 0 HG2 GLN A 73 0.889 0.571 11.635 1.00 33.31 H new ATOM 0 HG3 GLN A 73 0.317 -0.900 12.398 1.00 33.31 H new ATOM 0 HE21 GLN A 73 -0.087 2.070 12.943 1.00 10.44 H new ATOM 0 HE22 GLN A 73 0.277 2.249 14.663 1.00 10.44 H new ATOM 1164 N GLY A 74 3.119 2.503 12.184 1.00 22.12 N ATOM 1165 CA GLY A 74 3.217 3.695 13.006 1.00 53.32 C ATOM 1166 C GLY A 74 4.095 4.760 12.380 1.00 2.30 C ATOM 1167 O GLY A 74 3.618 5.592 11.609 1.00 4.41 O ATOM 0 H GLY A 74 2.611 2.627 11.308 1.00 22.12 H new ATOM 0 HA2 GLY A 74 2.219 4.102 13.171 1.00 53.32 H new ATOM 0 HA3 GLY A 74 3.618 3.427 13.984 1.00 53.32 H new ATOM 1171 N GLU A 75 5.382 4.735 12.714 1.00 52.22 N ATOM 1172 CA GLU A 75 6.328 5.708 12.180 1.00 12.32 C ATOM 1173 C GLU A 75 6.336 5.679 10.655 1.00 41.04 C ATOM 1174 O GLU A 75 6.677 6.668 10.006 1.00 25.41 O ATOM 1175 CB GLU A 75 7.735 5.431 12.714 1.00 34.13 C ATOM 1176 CG GLU A 75 8.426 6.662 13.275 1.00 23.03 C ATOM 1177 CD GLU A 75 9.872 6.399 13.650 1.00 32.23 C ATOM 1178 OE1 GLU A 75 10.166 5.284 14.131 1.00 12.33 O ATOM 1179 OE2 GLU A 75 10.709 7.307 13.463 1.00 34.43 O ATOM 0 H GLU A 75 5.793 4.052 13.351 1.00 52.22 H new ATOM 0 HA GLU A 75 6.012 6.699 12.505 1.00 12.32 H new ATOM 0 HB2 GLU A 75 7.676 4.671 13.493 1.00 34.13 H new ATOM 0 HB3 GLU A 75 8.344 5.017 11.911 1.00 34.13 H new ATOM 0 HG2 GLU A 75 8.386 7.464 12.538 1.00 23.03 H new ATOM 0 HG3 GLU A 75 7.884 7.009 14.154 1.00 23.03 H new ATOM 1186 N ALA A 76 5.958 4.538 10.088 1.00 22.55 N ATOM 1187 CA ALA A 76 5.921 4.379 8.640 1.00 34.10 C ATOM 1188 C ALA A 76 4.926 5.346 8.007 1.00 12.25 C ATOM 1189 O ALA A 76 4.957 5.582 6.800 1.00 43.14 O ATOM 1190 CB ALA A 76 5.569 2.944 8.275 1.00 4.11 C ATOM 0 H ALA A 76 5.673 3.710 10.610 1.00 22.55 H new ATOM 0 HA ALA A 76 6.912 4.610 8.249 1.00 34.10 H new ATOM 0 HB1 ALA A 76 5.545 2.840 7.190 1.00 4.11 H new ATOM 0 HB2 ALA A 76 6.319 2.269 8.688 1.00 4.11 H new ATOM 0 HB3 ALA A 76 4.591 2.694 8.685 1.00 4.11 H new ATOM 1196 N ARG A 77 4.044 5.903 8.831 1.00 75.21 N ATOM 1197 CA ARG A 77 3.038 6.843 8.351 1.00 41.20 C ATOM 1198 C ARG A 77 3.693 8.111 7.812 1.00 43.51 C ATOM 1199 O ARG A 77 3.088 8.855 7.041 1.00 52.04 O ATOM 1200 CB ARG A 77 2.063 7.198 9.475 1.00 3.32 C ATOM 1201 CG ARG A 77 1.225 6.022 9.948 1.00 11.15 C ATOM 1202 CD ARG A 77 0.214 5.599 8.895 1.00 54.14 C ATOM 1203 NE ARG A 77 -0.594 6.723 8.428 1.00 4.21 N ATOM 1204 CZ ARG A 77 -1.650 7.191 9.083 1.00 11.24 C ATOM 1205 NH1 ARG A 77 -2.025 6.635 10.227 1.00 5.33 N ATOM 1206 NH2 ARG A 77 -2.334 8.218 8.595 1.00 71.13 N ATOM 0 H ARG A 77 4.006 5.720 9.834 1.00 75.21 H new ATOM 0 HA ARG A 77 2.488 6.365 7.540 1.00 41.20 H new ATOM 0 HB2 ARG A 77 2.625 7.596 10.320 1.00 3.32 H new ATOM 0 HB3 ARG A 77 1.399 7.991 9.132 1.00 3.32 H new ATOM 0 HG2 ARG A 77 1.877 5.182 10.186 1.00 11.15 H new ATOM 0 HG3 ARG A 77 0.704 6.291 10.867 1.00 11.15 H new ATOM 0 HD2 ARG A 77 0.737 5.153 8.049 1.00 54.14 H new ATOM 0 HD3 ARG A 77 -0.439 4.830 9.308 1.00 54.14 H new ATOM 0 HE ARG A 77 -0.333 7.173 7.551 1.00 4.21 H new ATOM 0 HH11 ARG A 77 -1.502 5.846 10.606 1.00 5.33 H new ATOM 0 HH12 ARG A 77 -2.837 6.997 10.728 1.00 5.33 H new ATOM 0 HH21 ARG A 77 -2.049 8.649 7.716 1.00 71.13 H new ATOM 0 HH22 ARG A 77 -3.145 8.576 9.099 1.00 71.13 H new ATOM 1220 N ALA A 78 4.934 8.352 8.224 1.00 33.40 N ATOM 1221 CA ALA A 78 5.671 9.528 7.782 1.00 44.34 C ATOM 1222 C ALA A 78 6.783 9.146 6.810 1.00 1.23 C ATOM 1223 O ALA A 78 7.286 9.987 6.065 1.00 55.43 O ATOM 1224 CB ALA A 78 6.246 10.272 8.978 1.00 31.13 C ATOM 0 H ALA A 78 5.449 7.747 8.864 1.00 33.40 H new ATOM 0 HA ALA A 78 4.976 10.185 7.259 1.00 44.34 H new ATOM 0 HB1 ALA A 78 6.794 11.148 8.632 1.00 31.13 H new ATOM 0 HB2 ALA A 78 5.435 10.587 9.635 1.00 31.13 H new ATOM 0 HB3 ALA A 78 6.921 9.614 9.525 1.00 31.13 H new ATOM 1230 N TYR A 79 7.163 7.874 6.825 1.00 62.43 N ATOM 1231 CA TYR A 79 8.218 7.381 5.947 1.00 3.02 C ATOM 1232 C TYR A 79 7.867 7.625 4.483 1.00 41.23 C ATOM 1233 O TYR A 79 8.635 8.240 3.743 1.00 53.52 O ATOM 1234 CB TYR A 79 8.453 5.888 6.185 1.00 51.31 C ATOM 1235 CG TYR A 79 9.896 5.469 6.023 1.00 64.22 C ATOM 1236 CD1 TYR A 79 10.694 6.021 5.028 1.00 14.30 C ATOM 1237 CD2 TYR A 79 10.463 4.520 6.865 1.00 4.54 C ATOM 1238 CE1 TYR A 79 12.013 5.640 4.876 1.00 53.31 C ATOM 1239 CE2 TYR A 79 11.782 4.135 6.722 1.00 61.54 C ATOM 1240 CZ TYR A 79 12.552 4.697 5.725 1.00 24.12 C ATOM 1241 OH TYR A 79 13.866 4.316 5.578 1.00 64.32 O ATOM 0 H TYR A 79 6.757 7.165 7.435 1.00 62.43 H new ATOM 0 HA TYR A 79 9.132 7.927 6.178 1.00 3.02 H new ATOM 0 HB2 TYR A 79 8.120 5.632 7.191 1.00 51.31 H new ATOM 0 HB3 TYR A 79 7.837 5.317 5.490 1.00 51.31 H new ATOM 0 HD1 TYR A 79 10.275 6.761 4.362 1.00 14.30 H new ATOM 0 HD2 TYR A 79 9.862 4.076 7.645 1.00 4.54 H new ATOM 0 HE1 TYR A 79 12.619 6.078 4.097 1.00 53.31 H new ATOM 0 HE2 TYR A 79 12.208 3.398 7.387 1.00 61.54 H new ATOM 0 HH TYR A 79 14.090 3.645 6.256 1.00 64.32 H new ATOM 1251 N SER A 80 6.701 7.138 4.072 1.00 55.43 N ATOM 1252 CA SER A 80 6.247 7.300 2.695 1.00 0.12 C ATOM 1253 C SER A 80 7.353 6.931 1.712 1.00 64.52 C ATOM 1254 O SER A 80 7.818 7.769 0.940 1.00 21.20 O ATOM 1255 CB SER A 80 5.793 8.741 2.452 1.00 73.45 C ATOM 1256 OG SER A 80 6.894 9.632 2.468 1.00 11.31 O ATOM 0 H SER A 80 6.053 6.628 4.672 1.00 55.43 H new ATOM 0 HA SER A 80 5.403 6.629 2.535 1.00 0.12 H new ATOM 0 HB2 SER A 80 5.281 8.807 1.492 1.00 73.45 H new ATOM 0 HB3 SER A 80 5.074 9.033 3.217 1.00 73.45 H new ATOM 0 HG SER A 80 7.725 9.123 2.573 1.00 11.31 H new ATOM 1262 N MET A 81 7.770 5.669 1.747 1.00 42.13 N ATOM 1263 CA MET A 81 8.821 5.187 0.858 1.00 42.10 C ATOM 1264 C MET A 81 10.127 5.936 1.104 1.00 22.44 C ATOM 1265 O MET A 81 10.173 6.884 1.889 1.00 61.33 O ATOM 1266 CB MET A 81 8.396 5.347 -0.603 1.00 62.30 C ATOM 1267 CG MET A 81 7.668 4.134 -1.160 1.00 12.30 C ATOM 1268 SD MET A 81 6.330 3.575 -0.089 1.00 15.33 S ATOM 1269 CE MET A 81 5.299 5.039 -0.043 1.00 13.33 C ATOM 0 H MET A 81 7.396 4.963 2.381 1.00 42.13 H new ATOM 0 HA MET A 81 8.983 4.130 1.068 1.00 42.10 H new ATOM 0 HB2 MET A 81 7.750 6.221 -0.691 1.00 62.30 H new ATOM 0 HB3 MET A 81 9.280 5.541 -1.211 1.00 62.30 H new ATOM 0 HG2 MET A 81 7.264 4.377 -2.143 1.00 12.30 H new ATOM 0 HG3 MET A 81 8.380 3.321 -1.300 1.00 12.30 H new ATOM 0 HE1 MET A 81 4.815 5.113 0.931 1.00 13.33 H new ATOM 0 HE2 MET A 81 5.915 5.923 -0.210 1.00 13.33 H new ATOM 0 HE3 MET A 81 4.539 4.973 -0.822 1.00 13.33 H new ATOM 1279 N LYS A 82 11.188 5.504 0.430 1.00 33.13 N ATOM 1280 CA LYS A 82 12.495 6.133 0.575 1.00 50.21 C ATOM 1281 C LYS A 82 12.608 7.365 -0.318 1.00 34.04 C ATOM 1282 O LYS A 82 12.341 7.299 -1.517 1.00 44.22 O ATOM 1283 CB LYS A 82 13.604 5.137 0.230 1.00 43.03 C ATOM 1284 CG LYS A 82 14.384 4.652 1.439 1.00 22.14 C ATOM 1285 CD LYS A 82 15.852 4.438 1.108 1.00 53.42 C ATOM 1286 CE LYS A 82 16.583 3.736 2.242 1.00 72.14 C ATOM 1287 NZ LYS A 82 16.479 2.254 2.134 1.00 4.21 N ATOM 0 H LYS A 82 11.168 4.720 -0.222 1.00 33.13 H new ATOM 0 HA LYS A 82 12.606 6.447 1.613 1.00 50.21 H new ATOM 0 HB2 LYS A 82 13.164 4.278 -0.277 1.00 43.03 H new ATOM 0 HB3 LYS A 82 14.294 5.603 -0.474 1.00 43.03 H new ATOM 0 HG2 LYS A 82 14.295 5.379 2.246 1.00 22.14 H new ATOM 0 HG3 LYS A 82 13.952 3.719 1.801 1.00 22.14 H new ATOM 0 HD2 LYS A 82 15.938 3.846 0.197 1.00 53.42 H new ATOM 0 HD3 LYS A 82 16.325 5.400 0.909 1.00 53.42 H new ATOM 0 HE2 LYS A 82 17.633 4.028 2.233 1.00 72.14 H new ATOM 0 HE3 LYS A 82 16.170 4.061 3.197 1.00 72.14 H new ATOM 0 HZ1 LYS A 82 16.990 1.812 2.925 1.00 4.21 H new ATOM 0 HZ2 LYS A 82 15.478 1.973 2.168 1.00 4.21 H new ATOM 0 HZ3 LYS A 82 16.896 1.941 1.234 1.00 4.21 H new ATOM 1301 N GLU A 83 13.005 8.486 0.276 1.00 12.20 N ATOM 1302 CA GLU A 83 13.153 9.732 -0.467 1.00 50.00 C ATOM 1303 C GLU A 83 14.269 9.619 -1.502 1.00 32.02 C ATOM 1304 O GLU A 83 14.190 10.205 -2.581 1.00 44.45 O ATOM 1305 CB GLU A 83 13.445 10.890 0.489 1.00 13.41 C ATOM 1306 CG GLU A 83 12.201 11.643 0.931 1.00 51.11 C ATOM 1307 CD GLU A 83 12.270 12.085 2.380 1.00 43.13 C ATOM 1308 OE1 GLU A 83 12.492 11.220 3.253 1.00 14.32 O ATOM 1309 OE2 GLU A 83 12.103 13.295 2.640 1.00 22.22 O ATOM 0 H GLU A 83 13.230 8.557 1.268 1.00 12.20 H new ATOM 0 HA GLU A 83 12.216 9.928 -0.988 1.00 50.00 H new ATOM 0 HB2 GLU A 83 13.957 10.503 1.370 1.00 13.41 H new ATOM 0 HB3 GLU A 83 14.128 11.587 0.004 1.00 13.41 H new ATOM 0 HG2 GLU A 83 12.065 12.517 0.295 1.00 51.11 H new ATOM 0 HG3 GLU A 83 11.327 11.007 0.790 1.00 51.11 H new ATOM 1316 N ASP A 84 15.306 8.862 -1.164 1.00 24.43 N ATOM 1317 CA ASP A 84 16.439 8.671 -2.063 1.00 33.54 C ATOM 1318 C ASP A 84 15.976 8.129 -3.412 1.00 22.34 C ATOM 1319 O ASP A 84 16.514 8.494 -4.458 1.00 22.35 O ATOM 1320 CB ASP A 84 17.458 7.716 -1.438 1.00 12.20 C ATOM 1321 CG ASP A 84 18.835 8.338 -1.318 1.00 2.05 C ATOM 1322 OD1 ASP A 84 18.937 9.449 -0.757 1.00 41.12 O ATOM 1323 OD2 ASP A 84 19.811 7.714 -1.784 1.00 62.14 O ATOM 0 H ASP A 84 15.386 8.370 -0.274 1.00 24.43 H new ATOM 0 HA ASP A 84 16.912 9.640 -2.224 1.00 33.54 H new ATOM 0 HB2 ASP A 84 17.111 7.415 -0.450 1.00 12.20 H new ATOM 0 HB3 ASP A 84 17.522 6.811 -2.043 1.00 12.20 H new ATOM 1328 N THR A 85 14.975 7.254 -3.381 1.00 4.02 N ATOM 1329 CA THR A 85 14.442 6.660 -4.600 1.00 32.01 C ATOM 1330 C THR A 85 13.016 7.131 -4.863 1.00 3.40 C ATOM 1331 O THR A 85 12.336 6.616 -5.750 1.00 34.21 O ATOM 1332 CB THR A 85 14.457 5.121 -4.528 1.00 54.32 C ATOM 1333 OG1 THR A 85 14.378 4.694 -3.164 1.00 31.31 O ATOM 1334 CG2 THR A 85 15.718 4.562 -5.168 1.00 60.24 C ATOM 0 H THR A 85 14.518 6.941 -2.525 1.00 4.02 H new ATOM 0 HA THR A 85 15.086 6.985 -5.418 1.00 32.01 H new ATOM 0 HB THR A 85 13.593 4.745 -5.076 1.00 54.32 H new ATOM 0 HG1 THR A 85 13.446 4.733 -2.863 1.00 31.31 H new ATOM 0 HG21 THR A 85 15.706 3.474 -5.105 1.00 60.24 H new ATOM 0 HG22 THR A 85 15.760 4.865 -6.214 1.00 60.24 H new ATOM 0 HG23 THR A 85 16.593 4.946 -4.644 1.00 60.24 H new ATOM 1342 N ARG A 86 12.570 8.114 -4.088 1.00 5.45 N ATOM 1343 CA ARG A 86 11.225 8.655 -4.237 1.00 72.00 C ATOM 1344 C ARG A 86 11.092 9.430 -5.545 1.00 23.11 C ATOM 1345 O ARG A 86 11.804 10.409 -5.774 1.00 20.22 O ATOM 1346 CB ARG A 86 10.884 9.565 -3.056 1.00 13.22 C ATOM 1347 CG ARG A 86 9.510 10.208 -3.159 1.00 30.44 C ATOM 1348 CD ARG A 86 9.039 10.735 -1.812 1.00 63.12 C ATOM 1349 NE ARG A 86 8.163 11.894 -1.954 1.00 52.35 N ATOM 1350 CZ ARG A 86 7.945 12.774 -0.983 1.00 54.15 C ATOM 1351 NH1 ARG A 86 8.536 12.627 0.194 1.00 42.31 N ATOM 1352 NH2 ARG A 86 7.133 13.804 -1.189 1.00 63.25 N ATOM 0 H ARG A 86 13.121 8.552 -3.350 1.00 5.45 H new ATOM 0 HA ARG A 86 10.525 7.820 -4.257 1.00 72.00 H new ATOM 0 HB2 ARG A 86 10.936 8.985 -2.135 1.00 13.22 H new ATOM 0 HB3 ARG A 86 11.638 10.349 -2.983 1.00 13.22 H new ATOM 0 HG2 ARG A 86 9.543 11.025 -3.879 1.00 30.44 H new ATOM 0 HG3 ARG A 86 8.793 9.479 -3.536 1.00 30.44 H new ATOM 0 HD2 ARG A 86 8.511 9.945 -1.278 1.00 63.12 H new ATOM 0 HD3 ARG A 86 9.904 11.006 -1.206 1.00 63.12 H new ATOM 0 HE ARG A 86 7.692 12.036 -2.848 1.00 52.35 H new ATOM 0 HH11 ARG A 86 9.160 11.837 0.356 1.00 42.31 H new ATOM 0 HH12 ARG A 86 8.367 13.304 0.938 1.00 42.31 H new ATOM 0 HH21 ARG A 86 6.676 13.920 -2.093 1.00 63.25 H new ATOM 0 HH22 ARG A 86 6.966 14.479 -0.443 1.00 63.25 H new ATOM 1366 N LEU A 87 10.178 8.985 -6.400 1.00 11.33 N ATOM 1367 CA LEU A 87 9.952 9.636 -7.686 1.00 1.34 C ATOM 1368 C LEU A 87 8.752 10.575 -7.617 1.00 73.04 C ATOM 1369 O LEU A 87 8.878 11.776 -7.852 1.00 12.33 O ATOM 1370 CB LEU A 87 9.733 8.589 -8.778 1.00 61.54 C ATOM 1371 CG LEU A 87 10.641 8.697 -10.004 1.00 0.20 C ATOM 1372 CD1 LEU A 87 10.292 7.624 -11.024 1.00 2.15 C ATOM 1373 CD2 LEU A 87 10.534 10.082 -10.626 1.00 73.32 C ATOM 0 H LEU A 87 9.581 8.176 -6.226 1.00 11.33 H new ATOM 0 HA LEU A 87 10.837 10.225 -7.928 1.00 1.34 H new ATOM 0 HB2 LEU A 87 9.867 7.601 -8.338 1.00 61.54 H new ATOM 0 HB3 LEU A 87 8.697 8.652 -9.111 1.00 61.54 H new ATOM 0 HG LEU A 87 11.671 8.543 -9.684 1.00 0.20 H new ATOM 0 HD11 LEU A 87 10.949 7.717 -11.889 1.00 2.15 H new ATOM 0 HD12 LEU A 87 10.421 6.639 -10.575 1.00 2.15 H new ATOM 0 HD13 LEU A 87 9.256 7.746 -11.340 1.00 2.15 H new ATOM 0 HD21 LEU A 87 11.187 10.141 -11.497 1.00 73.32 H new ATOM 0 HD22 LEU A 87 9.504 10.265 -10.931 1.00 73.32 H new ATOM 0 HD23 LEU A 87 10.835 10.833 -9.896 1.00 73.32 H new ATOM 1385 N GLU A 88 7.589 10.018 -7.293 1.00 0.02 N ATOM 1386 CA GLU A 88 6.367 10.807 -7.192 1.00 73.22 C ATOM 1387 C GLU A 88 5.664 10.554 -5.861 1.00 44.41 C ATOM 1388 O GLU A 88 6.082 9.702 -5.078 1.00 73.25 O ATOM 1389 CB GLU A 88 5.423 10.476 -8.350 1.00 71.41 C ATOM 1390 CG GLU A 88 4.920 11.701 -9.095 1.00 64.22 C ATOM 1391 CD GLU A 88 4.380 11.366 -10.472 1.00 31.53 C ATOM 1392 OE1 GLU A 88 4.927 10.445 -11.115 1.00 51.42 O ATOM 1393 OE2 GLU A 88 3.411 12.023 -10.905 1.00 72.35 O ATOM 0 H GLU A 88 7.468 9.025 -7.096 1.00 0.02 H new ATOM 0 HA GLU A 88 6.640 11.861 -7.245 1.00 73.22 H new ATOM 0 HB2 GLU A 88 5.939 9.821 -9.052 1.00 71.41 H new ATOM 0 HB3 GLU A 88 4.569 9.920 -7.964 1.00 71.41 H new ATOM 0 HG2 GLU A 88 4.137 12.182 -8.509 1.00 64.22 H new ATOM 0 HG3 GLU A 88 5.732 12.421 -9.193 1.00 64.22 H new ATOM 1400 N GLY A 89 4.595 11.304 -5.612 1.00 33.35 N ATOM 1401 CA GLY A 89 3.852 11.147 -4.375 1.00 14.32 C ATOM 1402 C GLY A 89 4.387 12.026 -3.262 1.00 23.45 C ATOM 1403 O GLY A 89 5.211 12.913 -3.484 1.00 24.22 O ATOM 0 H GLY A 89 4.230 12.017 -6.244 1.00 33.35 H new ATOM 0 HA2 GLY A 89 2.804 11.387 -4.551 1.00 14.32 H new ATOM 0 HA3 GLY A 89 3.891 10.104 -4.061 1.00 14.32 H new ATOM 1407 N PRO A 90 3.913 11.782 -2.031 1.00 2.44 N ATOM 1408 CA PRO A 90 2.931 10.730 -1.754 1.00 64.42 C ATOM 1409 C PRO A 90 1.556 11.055 -2.326 1.00 12.21 C ATOM 1410 O PRO A 90 1.324 12.159 -2.820 1.00 62.41 O ATOM 1411 CB PRO A 90 2.878 10.687 -0.225 1.00 23.30 C ATOM 1412 CG PRO A 90 3.299 12.049 0.207 1.00 31.00 C ATOM 1413 CD PRO A 90 4.299 12.517 -0.814 1.00 32.11 C ATOM 0 HA PRO A 90 3.211 9.781 -2.211 1.00 64.42 H new ATOM 0 HB2 PRO A 90 1.875 10.452 0.130 1.00 23.30 H new ATOM 0 HB3 PRO A 90 3.545 9.922 0.173 1.00 23.30 H new ATOM 0 HG2 PRO A 90 2.445 12.725 0.255 1.00 31.00 H new ATOM 0 HG3 PRO A 90 3.741 12.023 1.203 1.00 31.00 H new ATOM 0 HD2 PRO A 90 4.247 13.596 -0.962 1.00 32.11 H new ATOM 0 HD3 PRO A 90 5.320 12.286 -0.512 1.00 32.11 H new ATOM 1421 N TRP A 91 0.647 10.089 -2.255 1.00 2.21 N ATOM 1422 CA TRP A 91 -0.706 10.274 -2.766 1.00 14.33 C ATOM 1423 C TRP A 91 -1.730 9.618 -1.846 1.00 22.03 C ATOM 1424 O TRP A 91 -1.539 8.488 -1.398 1.00 34.20 O ATOM 1425 CB TRP A 91 -0.825 9.695 -4.176 1.00 62.03 C ATOM 1426 CG TRP A 91 -0.169 10.543 -5.224 1.00 23.23 C ATOM 1427 CD1 TRP A 91 -0.168 11.907 -5.292 1.00 73.21 C ATOM 1428 CD2 TRP A 91 0.581 10.082 -6.353 1.00 40.32 C ATOM 1429 NE1 TRP A 91 0.537 12.322 -6.396 1.00 74.11 N ATOM 1430 CE2 TRP A 91 1.007 11.222 -7.063 1.00 61.11 C ATOM 1431 CE3 TRP A 91 0.936 8.819 -6.833 1.00 34.42 C ATOM 1432 CZ2 TRP A 91 1.768 11.133 -8.226 1.00 33.11 C ATOM 1433 CZ3 TRP A 91 1.690 8.732 -7.987 1.00 62.12 C ATOM 1434 CH2 TRP A 91 2.100 9.883 -8.673 1.00 4.02 C ATOM 0 H TRP A 91 0.822 9.170 -1.849 1.00 2.21 H new ATOM 0 HA TRP A 91 -0.910 11.344 -2.802 1.00 14.33 H new ATOM 0 HB2 TRP A 91 -0.379 8.701 -4.192 1.00 62.03 H new ATOM 0 HB3 TRP A 91 -1.880 9.575 -4.424 1.00 62.03 H new ATOM 0 HD1 TRP A 91 -0.650 12.563 -4.582 1.00 73.21 H new ATOM 0 HE1 TRP A 91 0.686 13.292 -6.674 1.00 74.11 H new ATOM 0 HE3 TRP A 91 0.626 7.926 -6.311 1.00 34.42 H new ATOM 0 HZ2 TRP A 91 2.085 12.019 -8.756 1.00 33.11 H new ATOM 0 HZ3 TRP A 91 1.968 7.760 -8.367 1.00 62.12 H new ATOM 0 HH2 TRP A 91 2.690 9.782 -9.572 1.00 4.02 H new ATOM 1445 N GLU A 92 -2.815 10.334 -1.568 1.00 40.02 N ATOM 1446 CA GLU A 92 -3.868 9.819 -0.700 1.00 43.34 C ATOM 1447 C GLU A 92 -5.190 9.713 -1.454 1.00 15.02 C ATOM 1448 O GLU A 92 -5.560 10.610 -2.212 1.00 5.53 O ATOM 1449 CB GLU A 92 -4.037 10.721 0.524 1.00 44.30 C ATOM 1450 CG GLU A 92 -3.063 10.410 1.648 1.00 44.50 C ATOM 1451 CD GLU A 92 -2.960 11.536 2.659 1.00 44.23 C ATOM 1452 OE1 GLU A 92 -3.108 12.709 2.258 1.00 1.41 O ATOM 1453 OE2 GLU A 92 -2.731 11.243 3.851 1.00 22.00 O ATOM 0 H GLU A 92 -2.988 11.271 -1.931 1.00 40.02 H new ATOM 0 HA GLU A 92 -3.577 8.822 -0.370 1.00 43.34 H new ATOM 0 HB2 GLU A 92 -3.908 11.760 0.220 1.00 44.30 H new ATOM 0 HB3 GLU A 92 -5.056 10.623 0.900 1.00 44.30 H new ATOM 0 HG2 GLU A 92 -3.379 9.499 2.156 1.00 44.50 H new ATOM 0 HG3 GLU A 92 -2.077 10.214 1.226 1.00 44.50 H new ATOM 1460 N TYR A 93 -5.899 8.610 -1.240 1.00 70.02 N ATOM 1461 CA TYR A 93 -7.179 8.384 -1.901 1.00 31.13 C ATOM 1462 C TYR A 93 -8.168 7.709 -0.956 1.00 31.55 C ATOM 1463 O TYR A 93 -7.778 7.113 0.048 1.00 61.14 O ATOM 1464 CB TYR A 93 -6.986 7.527 -3.153 1.00 34.33 C ATOM 1465 CG TYR A 93 -6.161 8.200 -4.226 1.00 72.42 C ATOM 1466 CD1 TYR A 93 -6.734 9.121 -5.095 1.00 21.41 C ATOM 1467 CD2 TYR A 93 -4.809 7.914 -4.373 1.00 14.04 C ATOM 1468 CE1 TYR A 93 -5.984 9.737 -6.078 1.00 12.52 C ATOM 1469 CE2 TYR A 93 -4.052 8.527 -5.351 1.00 43.25 C ATOM 1470 CZ TYR A 93 -4.644 9.438 -6.202 1.00 24.13 C ATOM 1471 OH TYR A 93 -3.893 10.050 -7.179 1.00 25.30 O ATOM 0 H TYR A 93 -5.609 7.859 -0.614 1.00 70.02 H new ATOM 0 HA TYR A 93 -7.585 9.353 -2.191 1.00 31.13 H new ATOM 0 HB2 TYR A 93 -6.506 6.590 -2.871 1.00 34.33 H new ATOM 0 HB3 TYR A 93 -7.963 7.273 -3.564 1.00 34.33 H new ATOM 0 HD1 TYR A 93 -7.783 9.359 -5.000 1.00 21.41 H new ATOM 0 HD2 TYR A 93 -4.343 7.200 -3.711 1.00 14.04 H new ATOM 0 HE1 TYR A 93 -6.445 10.449 -6.746 1.00 12.52 H new ATOM 0 HE2 TYR A 93 -3.002 8.295 -5.450 1.00 43.25 H new ATOM 0 HH TYR A 93 -2.968 9.729 -7.130 1.00 25.30 H new ATOM 1481 N GLY A 94 -9.453 7.806 -1.285 1.00 4.11 N ATOM 1482 CA GLY A 94 -10.479 7.200 -0.457 1.00 1.21 C ATOM 1483 C GLY A 94 -11.037 8.163 0.572 1.00 55.33 C ATOM 1484 O GLY A 94 -11.076 9.372 0.342 1.00 34.44 O ATOM 0 H GLY A 94 -9.801 8.294 -2.110 1.00 4.11 H new ATOM 0 HA2 GLY A 94 -11.289 6.842 -1.092 1.00 1.21 H new ATOM 0 HA3 GLY A 94 -10.064 6.330 0.052 1.00 1.21 H new ATOM 1488 N GLU A 95 -11.472 7.627 1.708 1.00 75.13 N ATOM 1489 CA GLU A 95 -12.034 8.448 2.774 1.00 51.34 C ATOM 1490 C GLU A 95 -11.059 9.548 3.184 1.00 31.02 C ATOM 1491 O GLU A 95 -11.124 10.668 2.680 1.00 50.42 O ATOM 1492 CB GLU A 95 -12.383 7.582 3.986 1.00 64.24 C ATOM 1493 CG GLU A 95 -12.766 8.384 5.218 1.00 51.45 C ATOM 1494 CD GLU A 95 -13.970 9.276 4.982 1.00 70.43 C ATOM 1495 OE1 GLU A 95 -14.885 8.854 4.244 1.00 15.34 O ATOM 1496 OE2 GLU A 95 -13.996 10.395 5.535 1.00 33.23 O ATOM 0 H GLU A 95 -11.446 6.628 1.914 1.00 75.13 H new ATOM 0 HA GLU A 95 -12.944 8.915 2.397 1.00 51.34 H new ATOM 0 HB2 GLU A 95 -13.208 6.920 3.723 1.00 64.24 H new ATOM 0 HB3 GLU A 95 -11.530 6.948 4.227 1.00 64.24 H new ATOM 0 HG2 GLU A 95 -12.980 7.701 6.040 1.00 51.45 H new ATOM 0 HG3 GLU A 95 -11.919 8.997 5.526 1.00 51.45 H new TER 1503 GLU A 95