USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=24 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 30 TYR OH : rot 180:sc= 0.0465 USER MOD Set 1.2: A 93 TYR OH : rot 58:sc= 0.0459 USER MOD Set 2.1: A 31 GLN : amide:sc= -3.78 X(o=-9.1,f=-9.4!) USER MOD Set 2.2: A 81 MET CE :methyl 174:sc= -5.32 (180deg=-4.27!) USER MOD Set 3.1: A 22 HIS : no HD1:sc= -4.71! C(o=-5.6!,f=-8!) USER MOD Set 3.2: A 48 MET CE :methyl -157:sc= -0.902 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= -0.0858 K(o=-0.086,f=-1.3!) USER MOD Single : A 7 CYS SG : rot 170:sc= -0.152 USER MOD Single : A 9 CYS SG : rot -9:sc= 0.368 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.176 K(o=-0.18,f=-1.4) USER MOD Single : A 14 ASN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 MET CE :methyl -163:sc= -2.36 (180deg=-4.03!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 85:sc= 0.585 USER MOD Single : A 34 GLN : amide:sc= -0.25 K(o=-0.25,f=-1.4!) USER MOD Single : A 39 ASN : amide:sc= -0.136 X(o=-0.14,f=-0.14) USER MOD Single : A 41 HIS :FLIP no HE2:sc= -3.24! F(o=-5.1,f=-3.2!) USER MOD Single : A 43 GLN :FLIP amide:sc= -0.76 F(o=-1.6!,f=-0.76) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 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 -170:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0.0658 USER MOD Single : A 57 MET CE :methyl -176:sc= -5.15! (180deg=-5.22!) USER MOD Single : A 58 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.159) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HD1:sc= -0.0556 X(o=-0.056,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot -120:sc= -2.65! USER MOD Single : A 73 GLN : amide:sc= -1.13 X(o=-1.1,f=-0.98) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= -0.089 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.564 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -13.910 0.081 16.285 1.00 2.33 N ATOM 2 CA ALA A 2 -13.320 -0.640 17.406 1.00 34.23 C ATOM 3 C ALA A 2 -11.837 -0.905 17.170 1.00 13.41 C ATOM 4 O ALA A 2 -11.464 -1.603 16.228 1.00 71.42 O ATOM 5 CB ALA A 2 -14.061 -1.949 17.640 1.00 52.42 C ATOM 0 HA ALA A 2 -13.414 -0.017 18.296 1.00 34.23 H new ATOM 0 HB1 ALA A 2 -13.610 -2.477 18.480 1.00 52.42 H new ATOM 0 HB2 ALA A 2 -15.107 -1.740 17.862 1.00 52.42 H new ATOM 0 HB3 ALA A 2 -13.997 -2.568 16.745 1.00 52.42 H new ATOM 11 N ARG A 3 -10.996 -0.341 18.031 1.00 32.32 N ATOM 12 CA ARG A 3 -9.553 -0.515 17.914 1.00 13.05 C ATOM 13 C ARG A 3 -9.054 -0.023 16.559 1.00 74.31 C ATOM 14 O ARG A 3 -9.840 0.420 15.722 1.00 11.51 O ATOM 15 CB ARG A 3 -9.178 -1.986 18.105 1.00 11.32 C ATOM 16 CG ARG A 3 -9.131 -2.419 19.561 1.00 14.54 C ATOM 17 CD ARG A 3 -8.131 -3.543 19.777 1.00 61.35 C ATOM 18 NE ARG A 3 -8.769 -4.857 19.746 1.00 10.43 N ATOM 19 CZ ARG A 3 -9.424 -5.379 20.777 1.00 70.41 C ATOM 20 NH1 ARG A 3 -9.527 -4.703 21.913 1.00 71.41 N ATOM 21 NH2 ARG A 3 -9.978 -6.581 20.672 1.00 11.53 N ATOM 0 H ARG A 3 -11.289 0.240 18.817 1.00 32.32 H new ATOM 0 HA ARG A 3 -9.076 0.078 18.694 1.00 13.05 H new ATOM 0 HB2 ARG A 3 -9.898 -2.608 17.573 1.00 11.32 H new ATOM 0 HB3 ARG A 3 -8.204 -2.166 17.650 1.00 11.32 H new ATOM 0 HG2 ARG A 3 -8.863 -1.567 20.186 1.00 14.54 H new ATOM 0 HG3 ARG A 3 -10.122 -2.747 19.876 1.00 14.54 H new ATOM 0 HD2 ARG A 3 -7.361 -3.496 19.007 1.00 61.35 H new ATOM 0 HD3 ARG A 3 -7.632 -3.405 20.736 1.00 61.35 H new ATOM 0 HE ARG A 3 -8.708 -5.403 18.886 1.00 10.43 H new ATOM 0 HH11 ARG A 3 -9.103 -3.779 21.997 1.00 71.41 H new ATOM 0 HH12 ARG A 3 -10.031 -5.107 22.703 1.00 71.41 H new ATOM 0 HH21 ARG A 3 -9.901 -7.104 19.800 1.00 11.53 H new ATOM 0 HH22 ARG A 3 -10.481 -6.982 21.464 1.00 11.53 H new ATOM 35 N GLN A 4 -7.744 -0.106 16.351 1.00 53.51 N ATOM 36 CA GLN A 4 -7.141 0.332 15.098 1.00 53.34 C ATOM 37 C GLN A 4 -6.503 -0.841 14.362 1.00 62.14 C ATOM 38 O GLN A 4 -6.163 -1.857 14.968 1.00 35.21 O ATOM 39 CB GLN A 4 -6.093 1.415 15.362 1.00 35.20 C ATOM 40 CG GLN A 4 -6.512 2.796 14.884 1.00 3.02 C ATOM 41 CD GLN A 4 -5.794 3.910 15.621 1.00 54.35 C ATOM 42 OE1 GLN A 4 -5.500 3.794 16.810 1.00 5.44 O ATOM 43 NE2 GLN A 4 -5.509 4.999 14.915 1.00 32.42 N ATOM 0 H GLN A 4 -7.080 -0.472 17.034 1.00 53.51 H new ATOM 0 HA GLN A 4 -7.930 0.746 14.470 1.00 53.34 H new ATOM 0 HB2 GLN A 4 -5.887 1.457 16.432 1.00 35.20 H new ATOM 0 HB3 GLN A 4 -5.162 1.136 14.869 1.00 35.20 H new ATOM 0 HG2 GLN A 4 -6.311 2.883 13.816 1.00 3.02 H new ATOM 0 HG3 GLN A 4 -7.588 2.912 15.017 1.00 3.02 H new ATOM 0 HE21 GLN A 4 -5.772 5.052 13.931 1.00 32.42 H new ATOM 0 HE22 GLN A 4 -5.027 5.782 15.357 1.00 32.42 H new ATOM 52 N VAL A 5 -6.342 -0.694 13.050 1.00 33.02 N ATOM 53 CA VAL A 5 -5.744 -1.741 12.231 1.00 21.31 C ATOM 54 C VAL A 5 -4.394 -1.301 11.676 1.00 10.10 C ATOM 55 O VAL A 5 -4.110 -0.106 11.581 1.00 34.44 O ATOM 56 CB VAL A 5 -6.665 -2.133 11.060 1.00 21.34 C ATOM 57 CG1 VAL A 5 -8.012 -2.614 11.578 1.00 22.33 C ATOM 58 CG2 VAL A 5 -6.839 -0.962 10.105 1.00 30.40 C ATOM 0 H VAL A 5 -6.618 0.140 12.532 1.00 33.02 H new ATOM 0 HA VAL A 5 -5.603 -2.607 12.878 1.00 21.31 H new ATOM 0 HB VAL A 5 -6.200 -2.953 10.513 1.00 21.34 H new ATOM 0 HG11 VAL A 5 -8.649 -2.886 10.737 1.00 22.33 H new ATOM 0 HG12 VAL A 5 -7.866 -3.483 12.219 1.00 22.33 H new ATOM 0 HG13 VAL A 5 -8.487 -1.817 12.150 1.00 22.33 H new ATOM 0 HG21 VAL A 5 -7.492 -1.256 9.284 1.00 30.40 H new ATOM 0 HG22 VAL A 5 -7.282 -0.121 10.638 1.00 30.40 H new ATOM 0 HG23 VAL A 5 -5.867 -0.669 9.708 1.00 30.40 H new ATOM 68 N ILE A 6 -3.566 -2.273 11.310 1.00 65.00 N ATOM 69 CA ILE A 6 -2.246 -1.985 10.762 1.00 23.44 C ATOM 70 C ILE A 6 -2.309 -1.786 9.252 1.00 63.32 C ATOM 71 O ILE A 6 -3.148 -2.378 8.572 1.00 14.30 O ATOM 72 CB ILE A 6 -1.247 -3.114 11.079 1.00 44.11 C ATOM 73 CG1 ILE A 6 -1.214 -3.388 12.584 1.00 64.22 C ATOM 74 CG2 ILE A 6 0.141 -2.751 10.571 1.00 73.25 C ATOM 75 CD1 ILE A 6 -2.245 -4.398 13.037 1.00 41.13 C ATOM 0 H ILE A 6 -3.785 -3.266 11.383 1.00 65.00 H new ATOM 0 HA ILE A 6 -1.903 -1.064 11.233 1.00 23.44 H new ATOM 0 HB ILE A 6 -1.573 -4.021 10.571 1.00 44.11 H new ATOM 0 HG12 ILE A 6 -0.222 -3.746 12.858 1.00 64.22 H new ATOM 0 HG13 ILE A 6 -1.374 -2.452 13.119 1.00 64.22 H new ATOM 0 HG21 ILE A 6 0.836 -3.558 10.802 1.00 73.25 H new ATOM 0 HG22 ILE A 6 0.106 -2.601 9.492 1.00 73.25 H new ATOM 0 HG23 ILE A 6 0.477 -1.834 11.054 1.00 73.25 H new ATOM 0 HD11 ILE A 6 -2.164 -4.543 14.114 1.00 41.13 H new ATOM 0 HD12 ILE A 6 -3.243 -4.033 12.794 1.00 41.13 H new ATOM 0 HD13 ILE A 6 -2.072 -5.347 12.529 1.00 41.13 H new ATOM 87 N CYS A 7 -1.415 -0.952 8.733 1.00 41.10 N ATOM 88 CA CYS A 7 -1.368 -0.675 7.302 1.00 63.34 C ATOM 89 C CYS A 7 -0.696 -1.819 6.549 1.00 71.14 C ATOM 90 O CYS A 7 0.086 -2.577 7.122 1.00 61.54 O ATOM 91 CB CYS A 7 -0.621 0.633 7.038 1.00 23.02 C ATOM 92 SG CYS A 7 1.173 0.511 7.233 1.00 13.12 S ATOM 0 H CYS A 7 -0.713 -0.456 9.282 1.00 41.10 H new ATOM 0 HA CYS A 7 -2.392 -0.578 6.942 1.00 63.34 H new ATOM 0 HB2 CYS A 7 -0.844 0.968 6.025 1.00 23.02 H new ATOM 0 HB3 CYS A 7 -0.998 1.398 7.717 1.00 23.02 H new ATOM 0 HG CYS A 7 1.733 1.596 6.786 1.00 13.12 H new ATOM 98 N TRP A 8 -1.008 -1.938 5.263 1.00 11.42 N ATOM 99 CA TRP A 8 -0.436 -2.991 4.432 1.00 3.40 C ATOM 100 C TRP A 8 0.619 -2.425 3.487 1.00 20.51 C ATOM 101 O TRP A 8 0.307 -1.635 2.595 1.00 22.25 O ATOM 102 CB TRP A 8 -1.535 -3.690 3.630 1.00 3.40 C ATOM 103 CG TRP A 8 -2.491 -4.466 4.484 1.00 22.11 C ATOM 104 CD1 TRP A 8 -3.376 -3.959 5.392 1.00 31.20 C ATOM 105 CD2 TRP A 8 -2.655 -5.888 4.511 1.00 74.12 C ATOM 106 NE1 TRP A 8 -4.081 -4.981 5.982 1.00 53.43 N ATOM 107 CE2 TRP A 8 -3.659 -6.173 5.458 1.00 65.53 C ATOM 108 CE3 TRP A 8 -2.055 -6.948 3.826 1.00 41.32 C ATOM 109 CZ2 TRP A 8 -4.071 -7.474 5.736 1.00 51.15 C ATOM 110 CZ3 TRP A 8 -2.465 -8.238 4.103 1.00 53.22 C ATOM 111 CH2 TRP A 8 -3.466 -8.492 5.050 1.00 20.12 C ATOM 0 H TRP A 8 -1.654 -1.318 4.774 1.00 11.42 H new ATOM 0 HA TRP A 8 0.043 -3.718 5.088 1.00 3.40 H new ATOM 0 HB2 TRP A 8 -2.090 -2.944 3.061 1.00 3.40 H new ATOM 0 HB3 TRP A 8 -1.075 -4.364 2.908 1.00 3.40 H new ATOM 0 HD1 TRP A 8 -3.503 -2.910 5.614 1.00 31.20 H new ATOM 0 HE1 TRP A 8 -4.802 -4.869 6.695 1.00 53.43 H new ATOM 0 HE3 TRP A 8 -1.284 -6.762 3.093 1.00 41.32 H new ATOM 0 HZ2 TRP A 8 -4.841 -7.673 6.467 1.00 51.15 H new ATOM 0 HZ3 TRP A 8 -2.006 -9.065 3.581 1.00 53.22 H new ATOM 0 HH2 TRP A 8 -3.766 -9.511 5.242 1.00 20.12 H new ATOM 122 N CYS A 9 1.867 -2.835 3.688 1.00 53.15 N ATOM 123 CA CYS A 9 2.968 -2.368 2.853 1.00 70.03 C ATOM 124 C CYS A 9 3.289 -3.382 1.759 1.00 54.50 C ATOM 125 O CYS A 9 3.636 -4.528 2.043 1.00 43.01 O ATOM 126 CB CYS A 9 4.210 -2.112 3.707 1.00 0.43 C ATOM 127 SG CYS A 9 4.720 -3.526 4.711 1.00 21.15 S ATOM 0 H CYS A 9 2.141 -3.489 4.421 1.00 53.15 H new ATOM 0 HA CYS A 9 2.662 -1.435 2.380 1.00 70.03 H new ATOM 0 HB2 CYS A 9 5.035 -1.828 3.053 1.00 0.43 H new ATOM 0 HB3 CYS A 9 4.017 -1.264 4.364 1.00 0.43 H new ATOM 0 HG CYS A 9 3.801 -4.445 4.665 1.00 21.15 H new ATOM 133 N PHE A 10 3.168 -2.952 0.507 1.00 11.43 N ATOM 134 CA PHE A 10 3.442 -3.822 -0.630 1.00 22.32 C ATOM 135 C PHE A 10 4.253 -3.088 -1.694 1.00 74.00 C ATOM 136 O PHE A 10 4.358 -1.861 -1.675 1.00 30.21 O ATOM 137 CB PHE A 10 2.133 -4.336 -1.233 1.00 44.25 C ATOM 138 CG PHE A 10 1.535 -3.404 -2.248 1.00 50.11 C ATOM 139 CD1 PHE A 10 0.657 -2.406 -1.858 1.00 52.42 C ATOM 140 CD2 PHE A 10 1.851 -3.526 -3.592 1.00 0.24 C ATOM 141 CE1 PHE A 10 0.104 -1.547 -2.790 1.00 22.40 C ATOM 142 CE2 PHE A 10 1.302 -2.670 -4.528 1.00 32.10 C ATOM 143 CZ PHE A 10 0.428 -1.679 -4.126 1.00 40.03 C ATOM 0 H PHE A 10 2.882 -2.006 0.255 1.00 11.43 H new ATOM 0 HA PHE A 10 4.027 -4.670 -0.274 1.00 22.32 H new ATOM 0 HB2 PHE A 10 2.313 -5.304 -1.701 1.00 44.25 H new ATOM 0 HB3 PHE A 10 1.412 -4.499 -0.432 1.00 44.25 H new ATOM 0 HD1 PHE A 10 0.401 -2.298 -0.814 1.00 52.42 H new ATOM 0 HD2 PHE A 10 2.534 -4.299 -3.912 1.00 0.24 H new ATOM 0 HE1 PHE A 10 -0.580 -0.774 -2.473 1.00 22.40 H new ATOM 0 HE2 PHE A 10 1.556 -2.776 -5.572 1.00 32.10 H new ATOM 0 HZ PHE A 10 -0.001 -1.008 -4.855 1.00 40.03 H new ATOM 153 N THR A 11 4.825 -3.848 -2.623 1.00 22.04 N ATOM 154 CA THR A 11 5.628 -3.272 -3.694 1.00 13.41 C ATOM 155 C THR A 11 5.222 -3.837 -5.050 1.00 53.21 C ATOM 156 O THR A 11 4.928 -5.026 -5.176 1.00 31.43 O ATOM 157 CB THR A 11 7.130 -3.530 -3.472 1.00 11.33 C ATOM 158 OG1 THR A 11 7.505 -3.133 -2.148 1.00 35.43 O ATOM 159 CG2 THR A 11 7.966 -2.769 -4.490 1.00 20.22 C ATOM 0 H THR A 11 4.747 -4.864 -2.655 1.00 22.04 H new ATOM 0 HA THR A 11 5.446 -2.197 -3.682 1.00 13.41 H new ATOM 0 HB THR A 11 7.315 -4.597 -3.597 1.00 11.33 H new ATOM 0 HG1 THR A 11 8.461 -3.302 -2.014 1.00 35.43 H new ATOM 0 HG21 THR A 11 9.023 -2.967 -4.313 1.00 20.22 H new ATOM 0 HG22 THR A 11 7.699 -3.094 -5.496 1.00 20.22 H new ATOM 0 HG23 THR A 11 7.775 -1.700 -4.391 1.00 20.22 H new ATOM 167 N LEU A 12 5.208 -2.978 -6.063 1.00 54.14 N ATOM 168 CA LEU A 12 4.838 -3.392 -7.413 1.00 23.35 C ATOM 169 C LEU A 12 5.948 -3.064 -8.406 1.00 41.11 C ATOM 170 O LEU A 12 6.441 -1.938 -8.451 1.00 0.31 O ATOM 171 CB LEU A 12 3.538 -2.709 -7.839 1.00 73.20 C ATOM 172 CG LEU A 12 2.536 -3.584 -8.594 1.00 45.13 C ATOM 173 CD1 LEU A 12 1.136 -3.403 -8.029 1.00 5.14 C ATOM 174 CD2 LEU A 12 2.559 -3.259 -10.081 1.00 3.13 C ATOM 0 H LEU A 12 5.448 -1.991 -5.976 1.00 54.14 H new ATOM 0 HA LEU A 12 4.688 -4.472 -7.407 1.00 23.35 H new ATOM 0 HB2 LEU A 12 3.048 -2.317 -6.948 1.00 73.20 H new ATOM 0 HB3 LEU A 12 3.789 -1.854 -8.467 1.00 73.20 H new ATOM 0 HG LEU A 12 2.825 -4.627 -8.465 1.00 45.13 H new ATOM 0 HD11 LEU A 12 0.437 -4.033 -8.579 1.00 5.14 H new ATOM 0 HD12 LEU A 12 1.129 -3.686 -6.976 1.00 5.14 H new ATOM 0 HD13 LEU A 12 0.837 -2.359 -8.126 1.00 5.14 H new ATOM 0 HD21 LEU A 12 1.840 -3.891 -10.603 1.00 3.13 H new ATOM 0 HD22 LEU A 12 2.296 -2.212 -10.229 1.00 3.13 H new ATOM 0 HD23 LEU A 12 3.558 -3.442 -10.478 1.00 3.13 H new ATOM 186 N ASN A 13 6.335 -4.055 -9.202 1.00 73.25 N ATOM 187 CA ASN A 13 7.385 -3.871 -10.197 1.00 62.12 C ATOM 188 C ASN A 13 6.802 -3.848 -11.607 1.00 13.43 C ATOM 189 O ASN A 13 6.043 -4.737 -11.990 1.00 63.02 O ATOM 190 CB ASN A 13 8.426 -4.987 -10.083 1.00 1.44 C ATOM 191 CG ASN A 13 7.860 -6.345 -10.449 1.00 65.03 C ATOM 192 OD1 ASN A 13 7.027 -6.897 -9.731 1.00 71.10 O ATOM 193 ND2 ASN A 13 8.313 -6.891 -11.572 1.00 50.43 N ATOM 0 H ASN A 13 5.937 -4.994 -9.177 1.00 73.25 H new ATOM 0 HA ASN A 13 7.867 -2.912 -10.006 1.00 62.12 H new ATOM 0 HB2 ASN A 13 9.270 -4.761 -10.734 1.00 1.44 H new ATOM 0 HB3 ASN A 13 8.810 -5.019 -9.063 1.00 1.44 H new ATOM 0 HD21 ASN A 13 7.970 -7.804 -11.870 1.00 50.43 H new ATOM 0 HD22 ASN A 13 9.004 -6.397 -12.137 1.00 50.43 H new ATOM 200 N ASN A 14 7.162 -2.823 -12.373 1.00 70.54 N ATOM 201 CA ASN A 14 6.674 -2.684 -13.741 1.00 4.32 C ATOM 202 C ASN A 14 5.153 -2.785 -13.789 1.00 12.23 C ATOM 203 O ASN A 14 4.586 -3.727 -14.342 1.00 54.13 O ATOM 204 CB ASN A 14 7.296 -3.755 -14.638 1.00 64.52 C ATOM 205 CG ASN A 14 7.096 -3.463 -16.113 1.00 12.34 C ATOM 206 OD1 ASN A 14 6.687 -2.364 -16.489 1.00 1.03 O ATOM 207 ND2 ASN A 14 7.383 -4.448 -16.956 1.00 1.34 N ATOM 0 H ASN A 14 7.789 -2.077 -12.070 1.00 70.54 H new ATOM 0 HA ASN A 14 6.967 -1.699 -14.106 1.00 4.32 H new ATOM 0 HB2 ASN A 14 8.363 -3.827 -14.426 1.00 64.52 H new ATOM 0 HB3 ASN A 14 6.857 -4.724 -14.400 1.00 64.52 H new ATOM 0 HD21 ASN A 14 7.267 -4.310 -17.960 1.00 1.34 H new ATOM 0 HD22 ASN A 14 7.719 -5.343 -16.600 1.00 1.34 H new ATOM 214 N PRO A 15 4.475 -1.791 -13.195 1.00 72.24 N ATOM 215 CA PRO A 15 3.010 -1.745 -13.158 1.00 1.53 C ATOM 216 C PRO A 15 2.403 -1.471 -14.530 1.00 23.13 C ATOM 217 O PRO A 15 2.974 -0.736 -15.337 1.00 32.20 O ATOM 218 CB PRO A 15 2.717 -0.585 -12.203 1.00 14.15 C ATOM 219 CG PRO A 15 3.922 0.287 -12.283 1.00 70.15 C ATOM 220 CD PRO A 15 5.086 -0.636 -12.516 1.00 71.32 C ATOM 0 HA PRO A 15 2.580 -2.696 -12.842 1.00 1.53 H new ATOM 0 HB2 PRO A 15 1.818 -0.045 -12.500 1.00 14.15 H new ATOM 0 HB3 PRO A 15 2.553 -0.941 -11.186 1.00 14.15 H new ATOM 0 HG2 PRO A 15 3.828 1.009 -13.094 1.00 70.15 H new ATOM 0 HG3 PRO A 15 4.053 0.856 -11.363 1.00 70.15 H new ATOM 0 HD2 PRO A 15 5.853 -0.167 -13.132 1.00 71.32 H new ATOM 0 HD3 PRO A 15 5.562 -0.926 -11.580 1.00 71.32 H new ATOM 228 N LEU A 16 1.244 -2.066 -14.788 1.00 20.12 N ATOM 229 CA LEU A 16 0.559 -1.886 -16.063 1.00 71.11 C ATOM 230 C LEU A 16 -0.492 -0.785 -15.966 1.00 11.11 C ATOM 231 O LEU A 16 -1.101 -0.405 -16.966 1.00 14.44 O ATOM 232 CB LEU A 16 -0.098 -3.196 -16.501 1.00 62.40 C ATOM 233 CG LEU A 16 0.666 -4.014 -17.543 1.00 73.32 C ATOM 234 CD1 LEU A 16 1.739 -4.860 -16.876 1.00 62.01 C ATOM 235 CD2 LEU A 16 -0.291 -4.892 -18.337 1.00 65.23 C ATOM 0 H LEU A 16 0.759 -2.677 -14.131 1.00 20.12 H new ATOM 0 HA LEU A 16 1.300 -1.592 -16.806 1.00 71.11 H new ATOM 0 HB2 LEU A 16 -0.247 -3.818 -15.618 1.00 62.40 H new ATOM 0 HB3 LEU A 16 -1.086 -2.968 -16.900 1.00 62.40 H new ATOM 0 HG LEU A 16 1.153 -3.325 -18.233 1.00 73.32 H new ATOM 0 HD11 LEU A 16 2.272 -5.435 -17.633 1.00 62.01 H new ATOM 0 HD12 LEU A 16 2.441 -4.211 -16.352 1.00 62.01 H new ATOM 0 HD13 LEU A 16 1.274 -5.541 -16.163 1.00 62.01 H new ATOM 0 HD21 LEU A 16 0.269 -5.467 -19.074 1.00 65.23 H new ATOM 0 HD22 LEU A 16 -0.806 -5.574 -17.660 1.00 65.23 H new ATOM 0 HD23 LEU A 16 -1.023 -4.265 -18.846 1.00 65.23 H new ATOM 247 N SER A 17 -0.698 -0.275 -14.756 1.00 23.23 N ATOM 248 CA SER A 17 -1.676 0.782 -14.527 1.00 71.34 C ATOM 249 C SER A 17 -1.709 1.183 -13.056 1.00 31.32 C ATOM 250 O SER A 17 -1.269 0.444 -12.175 1.00 3.34 O ATOM 251 CB SER A 17 -3.066 0.324 -14.974 1.00 41.34 C ATOM 252 OG SER A 17 -3.876 -0.008 -13.860 1.00 53.44 O ATOM 0 H SER A 17 -0.200 -0.577 -13.919 1.00 23.23 H new ATOM 0 HA SER A 17 -1.380 1.651 -15.115 1.00 71.34 H new ATOM 0 HB2 SER A 17 -3.544 1.114 -15.553 1.00 41.34 H new ATOM 0 HB3 SER A 17 -2.974 -0.541 -15.631 1.00 41.34 H new ATOM 0 HG SER A 17 -4.759 -0.296 -14.172 1.00 53.44 H new ATOM 258 N PRO A 18 -2.244 2.382 -12.782 1.00 60.01 N ATOM 259 CA PRO A 18 -2.349 2.910 -11.418 1.00 64.54 C ATOM 260 C PRO A 18 -3.373 2.152 -10.581 1.00 13.21 C ATOM 261 O PRO A 18 -4.311 1.559 -11.116 1.00 14.54 O ATOM 262 CB PRO A 18 -2.797 4.357 -11.632 1.00 12.43 C ATOM 263 CG PRO A 18 -3.494 4.348 -12.948 1.00 42.15 C ATOM 264 CD PRO A 18 -2.788 3.315 -13.783 1.00 34.01 C ATOM 0 HA PRO A 18 -1.411 2.817 -10.871 1.00 64.54 H new ATOM 0 HB2 PRO A 18 -3.462 4.687 -10.834 1.00 12.43 H new ATOM 0 HB3 PRO A 18 -1.946 5.038 -11.640 1.00 12.43 H new ATOM 0 HG2 PRO A 18 -4.549 4.100 -12.829 1.00 42.15 H new ATOM 0 HG3 PRO A 18 -3.449 5.329 -13.420 1.00 42.15 H new ATOM 0 HD2 PRO A 18 -3.473 2.815 -14.468 1.00 34.01 H new ATOM 0 HD3 PRO A 18 -1.999 3.759 -14.389 1.00 34.01 H new ATOM 272 N LEU A 19 -3.189 2.176 -9.266 1.00 20.35 N ATOM 273 CA LEU A 19 -4.098 1.491 -8.353 1.00 54.31 C ATOM 274 C LEU A 19 -5.383 2.292 -8.162 1.00 62.32 C ATOM 275 O LEU A 19 -5.485 3.435 -8.607 1.00 34.11 O ATOM 276 CB LEU A 19 -3.420 1.264 -7.001 1.00 72.51 C ATOM 277 CG LEU A 19 -1.968 0.787 -7.050 1.00 41.44 C ATOM 278 CD1 LEU A 19 -1.272 1.058 -5.726 1.00 11.34 C ATOM 279 CD2 LEU A 19 -1.904 -0.693 -7.396 1.00 25.21 C ATOM 0 H LEU A 19 -2.419 2.662 -8.808 1.00 20.35 H new ATOM 0 HA LEU A 19 -4.354 0.526 -8.790 1.00 54.31 H new ATOM 0 HB2 LEU A 19 -3.456 2.197 -6.438 1.00 72.51 H new ATOM 0 HB3 LEU A 19 -4.003 0.532 -6.443 1.00 72.51 H new ATOM 0 HG LEU A 19 -1.449 1.344 -7.830 1.00 41.44 H new ATOM 0 HD11 LEU A 19 -0.240 0.712 -5.780 1.00 11.34 H new ATOM 0 HD12 LEU A 19 -1.285 2.128 -5.520 1.00 11.34 H new ATOM 0 HD13 LEU A 19 -1.791 0.528 -4.927 1.00 11.34 H new ATOM 0 HD21 LEU A 19 -0.863 -1.015 -7.426 1.00 25.21 H new ATOM 0 HD22 LEU A 19 -2.439 -1.267 -6.640 1.00 25.21 H new ATOM 0 HD23 LEU A 19 -2.364 -0.859 -8.370 1.00 25.21 H new ATOM 291 N SER A 20 -6.359 1.684 -7.496 1.00 73.11 N ATOM 292 CA SER A 20 -7.638 2.339 -7.247 1.00 41.33 C ATOM 293 C SER A 20 -8.159 2.002 -5.854 1.00 11.14 C ATOM 294 O SER A 20 -7.726 1.029 -5.235 1.00 12.15 O ATOM 295 CB SER A 20 -8.663 1.921 -8.303 1.00 34.23 C ATOM 296 OG SER A 20 -8.807 0.512 -8.344 1.00 31.44 O ATOM 0 H SER A 20 -6.289 0.739 -7.119 1.00 73.11 H new ATOM 0 HA SER A 20 -7.484 3.416 -7.307 1.00 41.33 H new ATOM 0 HB2 SER A 20 -9.626 2.382 -8.082 1.00 34.23 H new ATOM 0 HB3 SER A 20 -8.351 2.287 -9.281 1.00 34.23 H new ATOM 0 HG SER A 20 -9.469 0.270 -9.025 1.00 31.44 H new ATOM 302 N LEU A 21 -9.091 2.813 -5.365 1.00 73.15 N ATOM 303 CA LEU A 21 -9.673 2.602 -4.044 1.00 53.15 C ATOM 304 C LEU A 21 -10.481 1.309 -4.005 1.00 72.14 C ATOM 305 O LEU A 21 -11.015 0.867 -5.023 1.00 52.14 O ATOM 306 CB LEU A 21 -10.565 3.785 -3.663 1.00 44.44 C ATOM 307 CG LEU A 21 -11.495 3.568 -2.470 1.00 33.31 C ATOM 308 CD1 LEU A 21 -10.693 3.436 -1.185 1.00 32.44 C ATOM 309 CD2 LEU A 21 -12.498 4.707 -2.360 1.00 43.34 C ATOM 0 H LEU A 21 -9.460 3.623 -5.864 1.00 73.15 H new ATOM 0 HA LEU A 21 -8.858 2.522 -3.324 1.00 53.15 H new ATOM 0 HB2 LEU A 21 -9.926 4.642 -3.449 1.00 44.44 H new ATOM 0 HB3 LEU A 21 -11.173 4.049 -4.528 1.00 44.44 H new ATOM 0 HG LEU A 21 -12.045 2.640 -2.628 1.00 33.31 H new ATOM 0 HD11 LEU A 21 -11.372 3.282 -0.346 1.00 32.44 H new ATOM 0 HD12 LEU A 21 -10.016 2.586 -1.264 1.00 32.44 H new ATOM 0 HD13 LEU A 21 -10.115 4.346 -1.022 1.00 32.44 H new ATOM 0 HD21 LEU A 21 -13.152 4.535 -1.505 1.00 43.34 H new ATOM 0 HD22 LEU A 21 -11.966 5.649 -2.226 1.00 43.34 H new ATOM 0 HD23 LEU A 21 -13.096 4.754 -3.270 1.00 43.34 H new ATOM 321 N HIS A 22 -10.569 0.707 -2.823 1.00 44.14 N ATOM 322 CA HIS A 22 -11.314 -0.535 -2.651 1.00 13.41 C ATOM 323 C HIS A 22 -12.528 -0.319 -1.751 1.00 63.14 C ATOM 324 O HIS A 22 -12.410 0.226 -0.654 1.00 22.02 O ATOM 325 CB HIS A 22 -10.412 -1.618 -2.059 1.00 52.02 C ATOM 326 CG HIS A 22 -10.918 -3.009 -2.287 1.00 72.11 C ATOM 327 ND1 HIS A 22 -10.944 -3.972 -1.300 1.00 12.40 N ATOM 328 CD2 HIS A 22 -11.421 -3.597 -3.397 1.00 74.44 C ATOM 329 CE1 HIS A 22 -11.440 -5.092 -1.794 1.00 23.23 C ATOM 330 NE2 HIS A 22 -11.738 -4.892 -3.065 1.00 3.42 N ATOM 0 H HIS A 22 -10.134 1.059 -1.970 1.00 44.14 H new ATOM 0 HA HIS A 22 -11.663 -0.860 -3.631 1.00 13.41 H new ATOM 0 HB2 HIS A 22 -9.416 -1.527 -2.492 1.00 52.02 H new ATOM 0 HB3 HIS A 22 -10.310 -1.448 -0.987 1.00 52.02 H new ATOM 0 HD2 HIS A 22 -11.549 -3.134 -4.364 1.00 74.44 H new ATOM 0 HE1 HIS A 22 -11.578 -6.015 -1.251 1.00 23.23 H new ATOM 0 HE2 HIS A 22 -12.138 -5.586 -3.697 1.00 3.42 H new ATOM 338 N ASP A 23 -13.692 -0.750 -2.224 1.00 11.40 N ATOM 339 CA ASP A 23 -14.927 -0.604 -1.462 1.00 73.14 C ATOM 340 C ASP A 23 -14.785 -1.220 -0.074 1.00 73.21 C ATOM 341 O ASP A 23 -15.493 -0.842 0.859 1.00 35.01 O ATOM 342 CB ASP A 23 -16.091 -1.259 -2.208 1.00 13.31 C ATOM 343 CG ASP A 23 -16.819 -0.285 -3.114 1.00 60.31 C ATOM 344 OD1 ASP A 23 -16.176 0.266 -4.032 1.00 25.01 O ATOM 345 OD2 ASP A 23 -18.032 -0.075 -2.906 1.00 71.43 O ATOM 0 H ASP A 23 -13.806 -1.203 -3.131 1.00 11.40 H new ATOM 0 HA ASP A 23 -15.131 0.461 -1.348 1.00 73.14 H new ATOM 0 HB2 ASP A 23 -15.715 -2.092 -2.802 1.00 13.31 H new ATOM 0 HB3 ASP A 23 -16.794 -1.674 -1.486 1.00 13.31 H new ATOM 350 N SER A 24 -13.866 -2.172 0.054 1.00 13.14 N ATOM 351 CA SER A 24 -13.635 -2.844 1.328 1.00 62.15 C ATOM 352 C SER A 24 -12.716 -2.015 2.220 1.00 32.33 C ATOM 353 O SER A 24 -12.932 -1.914 3.427 1.00 15.44 O ATOM 354 CB SER A 24 -13.026 -4.228 1.094 1.00 4.13 C ATOM 355 OG SER A 24 -13.697 -5.216 1.857 1.00 52.14 O ATOM 0 H SER A 24 -13.270 -2.495 -0.708 1.00 13.14 H new ATOM 0 HA SER A 24 -14.595 -2.957 1.831 1.00 62.15 H new ATOM 0 HB2 SER A 24 -13.084 -4.480 0.035 1.00 4.13 H new ATOM 0 HB3 SER A 24 -11.969 -4.214 1.361 1.00 4.13 H new ATOM 0 HG SER A 24 -13.290 -6.092 1.689 1.00 52.14 H new ATOM 361 N MET A 25 -11.690 -1.425 1.617 1.00 41.14 N ATOM 362 CA MET A 25 -10.738 -0.604 2.356 1.00 52.20 C ATOM 363 C MET A 25 -11.321 0.775 2.647 1.00 13.23 C ATOM 364 O MET A 25 -12.462 1.067 2.289 1.00 75.34 O ATOM 365 CB MET A 25 -9.434 -0.463 1.569 1.00 40.03 C ATOM 366 CG MET A 25 -9.469 0.644 0.527 1.00 33.42 C ATOM 367 SD MET A 25 -7.831 1.062 -0.098 1.00 25.40 S ATOM 368 CE MET A 25 -7.628 -0.180 -1.373 1.00 3.10 C ATOM 0 H MET A 25 -11.496 -1.500 0.618 1.00 41.14 H new ATOM 0 HA MET A 25 -10.529 -1.099 3.305 1.00 52.20 H new ATOM 0 HB2 MET A 25 -8.618 -0.269 2.265 1.00 40.03 H new ATOM 0 HB3 MET A 25 -9.213 -1.409 1.075 1.00 40.03 H new ATOM 0 HG2 MET A 25 -10.103 0.335 -0.304 1.00 33.42 H new ATOM 0 HG3 MET A 25 -9.925 1.533 0.962 1.00 33.42 H new ATOM 0 HE1 MET A 25 -6.575 -0.255 -1.643 1.00 3.10 H new ATOM 0 HE2 MET A 25 -7.977 -1.143 -1.001 1.00 3.10 H new ATOM 0 HE3 MET A 25 -8.209 0.102 -2.251 1.00 3.10 H new ATOM 378 N LYS A 26 -10.531 1.621 3.300 1.00 33.12 N ATOM 379 CA LYS A 26 -10.968 2.970 3.639 1.00 31.04 C ATOM 380 C LYS A 26 -10.305 4.001 2.731 1.00 33.13 C ATOM 381 O LYS A 26 -10.947 4.951 2.283 1.00 10.31 O ATOM 382 CB LYS A 26 -10.644 3.280 5.103 1.00 51.45 C ATOM 383 CG LYS A 26 -11.874 3.408 5.984 1.00 55.41 C ATOM 384 CD LYS A 26 -11.538 4.045 7.322 1.00 51.42 C ATOM 385 CE LYS A 26 -12.769 4.168 8.206 1.00 35.32 C ATOM 386 NZ LYS A 26 -12.528 5.062 9.372 1.00 13.02 N ATOM 0 H LYS A 26 -9.584 1.396 3.605 1.00 33.12 H new ATOM 0 HA LYS A 26 -12.047 3.024 3.493 1.00 31.04 H new ATOM 0 HB2 LYS A 26 -10.004 2.492 5.499 1.00 51.45 H new ATOM 0 HB3 LYS A 26 -10.074 4.208 5.152 1.00 51.45 H new ATOM 0 HG2 LYS A 26 -12.627 4.008 5.473 1.00 55.41 H new ATOM 0 HG3 LYS A 26 -12.309 2.422 6.148 1.00 55.41 H new ATOM 0 HD2 LYS A 26 -10.782 3.447 7.831 1.00 51.42 H new ATOM 0 HD3 LYS A 26 -11.107 5.032 7.158 1.00 51.42 H new ATOM 0 HE2 LYS A 26 -13.601 4.555 7.618 1.00 35.32 H new ATOM 0 HE3 LYS A 26 -13.062 3.180 8.561 1.00 35.32 H new ATOM 0 HZ1 LYS A 26 -13.391 5.119 9.950 1.00 13.02 H new ATOM 0 HZ2 LYS A 26 -11.751 4.680 9.948 1.00 13.02 H new ATOM 0 HZ3 LYS A 26 -12.274 6.012 9.034 1.00 13.02 H new ATOM 400 N TYR A 27 -9.019 3.806 2.463 1.00 71.01 N ATOM 401 CA TYR A 27 -8.270 4.719 1.609 1.00 44.45 C ATOM 402 C TYR A 27 -7.037 4.034 1.027 1.00 22.13 C ATOM 403 O TYR A 27 -6.432 3.171 1.666 1.00 54.14 O ATOM 404 CB TYR A 27 -7.852 5.962 2.397 1.00 21.32 C ATOM 405 CG TYR A 27 -7.439 5.664 3.821 1.00 43.41 C ATOM 406 CD1 TYR A 27 -6.226 5.046 4.098 1.00 23.30 C ATOM 407 CD2 TYR A 27 -8.261 6.001 4.889 1.00 51.22 C ATOM 408 CE1 TYR A 27 -5.844 4.771 5.397 1.00 11.42 C ATOM 409 CE2 TYR A 27 -7.887 5.732 6.191 1.00 11.21 C ATOM 410 CZ TYR A 27 -6.678 5.117 6.440 1.00 1.02 C ATOM 411 OH TYR A 27 -6.302 4.846 7.736 1.00 73.00 O ATOM 0 H TYR A 27 -8.474 3.024 2.825 1.00 71.01 H new ATOM 0 HA TYR A 27 -8.919 5.020 0.786 1.00 44.45 H new ATOM 0 HB2 TYR A 27 -7.024 6.448 1.881 1.00 21.32 H new ATOM 0 HB3 TYR A 27 -8.680 6.671 2.408 1.00 21.32 H new ATOM 0 HD1 TYR A 27 -5.570 4.776 3.284 1.00 23.30 H new ATOM 0 HD2 TYR A 27 -9.209 6.482 4.698 1.00 51.22 H new ATOM 0 HE1 TYR A 27 -4.898 4.288 5.595 1.00 11.42 H new ATOM 0 HE2 TYR A 27 -8.538 6.002 7.010 1.00 11.21 H new ATOM 0 HH TYR A 27 -7.001 5.154 8.350 1.00 73.00 H new ATOM 421 N LEU A 28 -6.669 4.424 -0.188 1.00 2.51 N ATOM 422 CA LEU A 28 -5.507 3.849 -0.857 1.00 53.24 C ATOM 423 C LEU A 28 -4.384 4.874 -0.976 1.00 10.31 C ATOM 424 O LEU A 28 -4.585 5.975 -1.490 1.00 33.14 O ATOM 425 CB LEU A 28 -5.896 3.338 -2.246 1.00 44.40 C ATOM 426 CG LEU A 28 -4.885 3.599 -3.364 1.00 33.12 C ATOM 427 CD1 LEU A 28 -3.615 2.795 -3.133 1.00 40.22 C ATOM 428 CD2 LEU A 28 -5.491 3.265 -4.719 1.00 73.21 C ATOM 0 H LEU A 28 -7.158 5.136 -0.730 1.00 2.51 H new ATOM 0 HA LEU A 28 -5.148 3.014 -0.256 1.00 53.24 H new ATOM 0 HB2 LEU A 28 -6.067 2.263 -2.181 1.00 44.40 H new ATOM 0 HB3 LEU A 28 -6.845 3.795 -2.527 1.00 44.40 H new ATOM 0 HG LEU A 28 -4.627 4.658 -3.355 1.00 33.12 H new ATOM 0 HD11 LEU A 28 -2.907 2.993 -3.938 1.00 40.22 H new ATOM 0 HD12 LEU A 28 -3.171 3.083 -2.180 1.00 40.22 H new ATOM 0 HD13 LEU A 28 -3.856 1.732 -3.115 1.00 40.22 H new ATOM 0 HD21 LEU A 28 -4.758 3.457 -5.503 1.00 73.21 H new ATOM 0 HD22 LEU A 28 -5.778 2.214 -4.740 1.00 73.21 H new ATOM 0 HD23 LEU A 28 -6.372 3.885 -4.887 1.00 73.21 H new ATOM 440 N VAL A 29 -3.200 4.505 -0.499 1.00 64.51 N ATOM 441 CA VAL A 29 -2.043 5.390 -0.555 1.00 2.25 C ATOM 442 C VAL A 29 -0.858 4.705 -1.226 1.00 40.33 C ATOM 443 O VAL A 29 -0.408 3.647 -0.787 1.00 35.33 O ATOM 444 CB VAL A 29 -1.623 5.854 0.853 1.00 51.10 C ATOM 445 CG1 VAL A 29 -0.319 6.635 0.791 1.00 15.43 C ATOM 446 CG2 VAL A 29 -2.725 6.688 1.489 1.00 3.31 C ATOM 0 H VAL A 29 -3.017 3.598 -0.069 1.00 64.51 H new ATOM 0 HA VAL A 29 -2.338 6.259 -1.144 1.00 2.25 H new ATOM 0 HB VAL A 29 -1.461 4.973 1.474 1.00 51.10 H new ATOM 0 HG11 VAL A 29 -0.038 6.955 1.795 1.00 15.43 H new ATOM 0 HG12 VAL A 29 0.466 6.001 0.379 1.00 15.43 H new ATOM 0 HG13 VAL A 29 -0.449 7.510 0.155 1.00 15.43 H new ATOM 0 HG21 VAL A 29 -2.412 7.007 2.483 1.00 3.31 H new ATOM 0 HG22 VAL A 29 -2.921 7.564 0.871 1.00 3.31 H new ATOM 0 HG23 VAL A 29 -3.633 6.091 1.569 1.00 3.31 H new ATOM 456 N TYR A 30 -0.356 5.316 -2.294 1.00 0.34 N ATOM 457 CA TYR A 30 0.776 4.765 -3.028 1.00 63.41 C ATOM 458 C TYR A 30 1.576 5.872 -3.708 1.00 24.34 C ATOM 459 O TYR A 30 1.042 6.935 -4.021 1.00 71.12 O ATOM 460 CB TYR A 30 0.292 3.756 -4.071 1.00 51.33 C ATOM 461 CG TYR A 30 -0.281 4.399 -5.314 1.00 62.14 C ATOM 462 CD1 TYR A 30 -1.631 4.714 -5.398 1.00 53.14 C ATOM 463 CD2 TYR A 30 0.529 4.692 -6.405 1.00 22.13 C ATOM 464 CE1 TYR A 30 -2.159 5.301 -6.532 1.00 62.54 C ATOM 465 CE2 TYR A 30 0.011 5.280 -7.542 1.00 73.33 C ATOM 466 CZ TYR A 30 -1.334 5.582 -7.602 1.00 21.44 C ATOM 467 OH TYR A 30 -1.855 6.167 -8.732 1.00 52.05 O ATOM 0 H TYR A 30 -0.716 6.193 -2.670 1.00 0.34 H new ATOM 0 HA TYR A 30 1.426 4.258 -2.315 1.00 63.41 H new ATOM 0 HB2 TYR A 30 1.124 3.112 -4.356 1.00 51.33 H new ATOM 0 HB3 TYR A 30 -0.466 3.116 -3.621 1.00 51.33 H new ATOM 0 HD1 TYR A 30 -2.280 4.496 -4.562 1.00 53.14 H new ATOM 0 HD2 TYR A 30 1.582 4.456 -6.363 1.00 22.13 H new ATOM 0 HE1 TYR A 30 -3.211 5.539 -6.581 1.00 62.54 H new ATOM 0 HE2 TYR A 30 0.655 5.502 -8.380 1.00 73.33 H new ATOM 0 HH TYR A 30 -1.142 6.299 -9.391 1.00 52.05 H new ATOM 477 N GLN A 31 2.861 5.612 -3.932 1.00 15.30 N ATOM 478 CA GLN A 31 3.735 6.586 -4.574 1.00 42.22 C ATOM 479 C GLN A 31 4.633 5.914 -5.608 1.00 32.43 C ATOM 480 O GLN A 31 4.882 4.709 -5.541 1.00 14.35 O ATOM 481 CB GLN A 31 4.590 7.303 -3.528 1.00 4.10 C ATOM 482 CG GLN A 31 3.847 7.602 -2.236 1.00 24.11 C ATOM 483 CD GLN A 31 4.651 8.471 -1.288 1.00 54.04 C ATOM 484 OE1 GLN A 31 5.525 9.228 -1.712 1.00 33.20 O ATOM 485 NE2 GLN A 31 4.358 8.367 0.003 1.00 52.34 N ATOM 0 H GLN A 31 3.319 4.736 -3.679 1.00 15.30 H new ATOM 0 HA GLN A 31 3.108 7.317 -5.084 1.00 42.22 H new ATOM 0 HB2 GLN A 31 5.463 6.690 -3.302 1.00 4.10 H new ATOM 0 HB3 GLN A 31 4.958 8.238 -3.951 1.00 4.10 H new ATOM 0 HG2 GLN A 31 2.906 8.100 -2.469 1.00 24.11 H new ATOM 0 HG3 GLN A 31 3.597 6.664 -1.740 1.00 24.11 H new ATOM 0 HE21 GLN A 31 3.626 7.727 0.310 1.00 52.34 H new ATOM 0 HE22 GLN A 31 4.865 8.928 0.688 1.00 52.34 H new ATOM 494 N THR A 32 5.117 6.699 -6.565 1.00 11.22 N ATOM 495 CA THR A 32 5.985 6.180 -7.613 1.00 65.35 C ATOM 496 C THR A 32 7.455 6.371 -7.256 1.00 12.35 C ATOM 497 O THR A 32 7.863 7.451 -6.828 1.00 73.30 O ATOM 498 CB THR A 32 5.705 6.863 -8.965 1.00 52.01 C ATOM 499 OG1 THR A 32 4.309 6.784 -9.274 1.00 33.24 O ATOM 500 CG2 THR A 32 6.513 6.213 -10.078 1.00 51.21 C ATOM 0 H THR A 32 4.922 7.698 -6.635 1.00 11.22 H new ATOM 0 HA THR A 32 5.770 5.115 -7.701 1.00 65.35 H new ATOM 0 HB THR A 32 6.001 7.909 -8.886 1.00 52.01 H new ATOM 0 HG1 THR A 32 3.835 7.521 -8.835 1.00 33.24 H new ATOM 0 HG21 THR A 32 6.298 6.712 -11.023 1.00 51.21 H new ATOM 0 HG22 THR A 32 7.576 6.301 -9.855 1.00 51.21 H new ATOM 0 HG23 THR A 32 6.244 5.160 -10.155 1.00 51.21 H new ATOM 508 N GLU A 33 8.245 5.317 -7.434 1.00 11.23 N ATOM 509 CA GLU A 33 9.670 5.371 -7.129 1.00 11.32 C ATOM 510 C GLU A 33 10.502 4.981 -8.347 1.00 21.52 C ATOM 511 O GLU A 33 10.031 4.261 -9.227 1.00 43.02 O ATOM 512 CB GLU A 33 9.998 4.446 -5.955 1.00 3.40 C ATOM 513 CG GLU A 33 9.863 5.115 -4.597 1.00 73.41 C ATOM 514 CD GLU A 33 11.120 4.992 -3.759 1.00 1.35 C ATOM 515 OE1 GLU A 33 11.849 3.992 -3.924 1.00 2.23 O ATOM 516 OE2 GLU A 33 11.375 5.898 -2.937 1.00 31.21 O ATOM 0 H GLU A 33 7.923 4.416 -7.788 1.00 11.23 H new ATOM 0 HA GLU A 33 9.919 6.396 -6.854 1.00 11.32 H new ATOM 0 HB2 GLU A 33 9.338 3.579 -5.991 1.00 3.40 H new ATOM 0 HB3 GLU A 33 11.017 4.076 -6.069 1.00 3.40 H new ATOM 0 HG2 GLU A 33 9.626 6.170 -4.738 1.00 73.41 H new ATOM 0 HG3 GLU A 33 9.027 4.670 -4.058 1.00 73.41 H new ATOM 523 N GLN A 34 11.741 5.461 -8.389 1.00 34.14 N ATOM 524 CA GLN A 34 12.638 5.163 -9.499 1.00 31.13 C ATOM 525 C GLN A 34 13.578 4.015 -9.146 1.00 34.41 C ATOM 526 O GLN A 34 14.177 3.998 -8.072 1.00 23.31 O ATOM 527 CB GLN A 34 13.449 6.404 -9.874 1.00 11.40 C ATOM 528 CG GLN A 34 13.319 6.796 -11.337 1.00 2.50 C ATOM 529 CD GLN A 34 14.607 6.597 -12.111 1.00 4.20 C ATOM 530 OE1 GLN A 34 15.475 5.823 -11.706 1.00 72.53 O ATOM 531 NE2 GLN A 34 14.739 7.297 -13.232 1.00 22.02 N ATOM 0 H GLN A 34 12.146 6.058 -7.668 1.00 34.14 H new ATOM 0 HA GLN A 34 12.031 4.862 -10.353 1.00 31.13 H new ATOM 0 HB2 GLN A 34 13.127 7.240 -9.253 1.00 11.40 H new ATOM 0 HB3 GLN A 34 14.500 6.224 -9.647 1.00 11.40 H new ATOM 0 HG2 GLN A 34 12.527 6.206 -11.798 1.00 2.50 H new ATOM 0 HG3 GLN A 34 13.017 7.841 -11.404 1.00 2.50 H new ATOM 0 HE21 GLN A 34 13.994 7.927 -13.530 1.00 22.02 H new ATOM 0 HE22 GLN A 34 15.585 7.204 -13.794 1.00 22.02 H new ATOM 540 N GLY A 35 13.701 3.055 -10.058 1.00 55.23 N ATOM 541 CA GLY A 35 14.568 1.916 -9.824 1.00 63.22 C ATOM 542 C GLY A 35 14.509 0.901 -10.949 1.00 44.40 C ATOM 543 O GLY A 35 13.866 1.136 -11.971 1.00 41.23 O ATOM 0 H GLY A 35 13.215 3.046 -10.955 1.00 55.23 H new ATOM 0 HA2 GLY A 35 15.594 2.263 -9.705 1.00 63.22 H new ATOM 0 HA3 GLY A 35 14.285 1.434 -8.889 1.00 63.22 H new ATOM 547 N GLU A 36 15.184 -0.229 -10.761 1.00 11.42 N ATOM 548 CA GLU A 36 15.207 -1.281 -11.770 1.00 53.10 C ATOM 549 C GLU A 36 15.374 -0.691 -13.167 1.00 71.14 C ATOM 550 O GLU A 36 15.883 0.418 -13.328 1.00 23.42 O ATOM 551 CB GLU A 36 13.922 -2.109 -11.704 1.00 73.15 C ATOM 552 CG GLU A 36 12.685 -1.350 -12.154 1.00 13.34 C ATOM 553 CD GLU A 36 11.507 -2.264 -12.429 1.00 72.10 C ATOM 554 OE1 GLU A 36 11.737 -3.417 -12.850 1.00 45.05 O ATOM 555 OE2 GLU A 36 10.355 -1.827 -12.224 1.00 22.43 O ATOM 0 H GLU A 36 15.722 -0.439 -9.920 1.00 11.42 H new ATOM 0 HA GLU A 36 16.059 -1.929 -11.564 1.00 53.10 H new ATOM 0 HB2 GLU A 36 14.039 -2.997 -12.326 1.00 73.15 H new ATOM 0 HB3 GLU A 36 13.774 -2.454 -10.681 1.00 73.15 H new ATOM 0 HG2 GLU A 36 12.408 -0.627 -11.387 1.00 13.34 H new ATOM 0 HG3 GLU A 36 12.919 -0.784 -13.056 1.00 13.34 H new ATOM 562 N ALA A 37 14.942 -1.441 -14.176 1.00 35.44 N ATOM 563 CA ALA A 37 15.041 -0.993 -15.559 1.00 23.20 C ATOM 564 C ALA A 37 14.324 0.337 -15.758 1.00 55.41 C ATOM 565 O ALA A 37 13.899 0.975 -14.795 1.00 73.25 O ATOM 566 CB ALA A 37 14.473 -2.047 -16.498 1.00 21.34 C ATOM 0 H ALA A 37 14.520 -2.362 -14.061 1.00 35.44 H new ATOM 0 HA ALA A 37 16.096 -0.846 -15.792 1.00 23.20 H new ATOM 0 HB1 ALA A 37 14.554 -1.698 -17.528 1.00 21.34 H new ATOM 0 HB2 ALA A 37 15.033 -2.975 -16.384 1.00 21.34 H new ATOM 0 HB3 ALA A 37 13.425 -2.223 -16.256 1.00 21.34 H new ATOM 572 N GLY A 38 14.192 0.752 -17.015 1.00 23.32 N ATOM 573 CA GLY A 38 13.526 2.005 -17.317 1.00 1.12 C ATOM 574 C GLY A 38 12.159 2.106 -16.669 1.00 43.02 C ATOM 575 O GLY A 38 11.644 3.203 -16.460 1.00 52.33 O ATOM 0 H GLY A 38 14.535 0.242 -17.829 1.00 23.32 H new ATOM 0 HA2 GLY A 38 14.147 2.834 -16.978 1.00 1.12 H new ATOM 0 HA3 GLY A 38 13.421 2.106 -18.397 1.00 1.12 H new ATOM 579 N ASN A 39 11.570 0.958 -16.352 1.00 62.41 N ATOM 580 CA ASN A 39 10.253 0.921 -15.727 1.00 3.44 C ATOM 581 C ASN A 39 10.328 1.381 -14.274 1.00 3.03 C ATOM 582 O ASN A 39 11.405 1.412 -13.677 1.00 10.11 O ATOM 583 CB ASN A 39 9.671 -0.492 -15.797 1.00 1.24 C ATOM 584 CG ASN A 39 10.047 -1.209 -17.079 1.00 24.23 C ATOM 585 OD1 ASN A 39 9.820 -0.701 -18.177 1.00 23.21 O ATOM 586 ND2 ASN A 39 10.626 -2.397 -16.944 1.00 53.00 N ATOM 0 H ASN A 39 11.984 0.041 -16.518 1.00 62.41 H new ATOM 0 HA ASN A 39 9.600 1.602 -16.273 1.00 3.44 H new ATOM 0 HB2 ASN A 39 10.024 -1.070 -14.943 1.00 1.24 H new ATOM 0 HB3 ASN A 39 8.585 -0.439 -15.719 1.00 1.24 H new ATOM 0 HD21 ASN A 39 10.902 -2.927 -17.771 1.00 53.00 H new ATOM 0 HD22 ASN A 39 10.795 -2.779 -16.014 1.00 53.00 H new ATOM 593 N ILE A 40 9.178 1.736 -13.711 1.00 42.32 N ATOM 594 CA ILE A 40 9.114 2.192 -12.328 1.00 55.43 C ATOM 595 C ILE A 40 8.366 1.191 -11.454 1.00 5.44 C ATOM 596 O ILE A 40 7.733 0.263 -11.956 1.00 71.33 O ATOM 597 CB ILE A 40 8.425 3.566 -12.220 1.00 71.31 C ATOM 598 CG1 ILE A 40 7.153 3.591 -13.070 1.00 14.03 C ATOM 599 CG2 ILE A 40 9.378 4.671 -12.650 1.00 55.31 C ATOM 600 CD1 ILE A 40 6.380 4.887 -12.963 1.00 1.15 C ATOM 0 H ILE A 40 8.278 1.717 -14.191 1.00 42.32 H new ATOM 0 HA ILE A 40 10.142 2.281 -11.977 1.00 55.43 H new ATOM 0 HB ILE A 40 8.148 3.737 -11.180 1.00 71.31 H new ATOM 0 HG12 ILE A 40 7.419 3.421 -14.113 1.00 14.03 H new ATOM 0 HG13 ILE A 40 6.507 2.766 -12.768 1.00 14.03 H new ATOM 0 HG21 ILE A 40 8.877 5.636 -12.568 1.00 55.31 H new ATOM 0 HG22 ILE A 40 10.258 4.663 -12.007 1.00 55.31 H new ATOM 0 HG23 ILE A 40 9.683 4.507 -13.684 1.00 55.31 H new ATOM 0 HD11 ILE A 40 5.491 4.833 -13.592 1.00 1.15 H new ATOM 0 HD12 ILE A 40 6.083 5.049 -11.927 1.00 1.15 H new ATOM 0 HD13 ILE A 40 7.009 5.714 -13.293 1.00 1.15 H new ATOM 612 N HIS A 41 8.444 1.387 -10.141 1.00 54.41 N ATOM 613 CA HIS A 41 7.772 0.503 -9.195 1.00 64.12 C ATOM 614 C HIS A 41 6.868 1.296 -8.257 1.00 54.45 C ATOM 615 O HIS A 41 7.128 2.465 -7.968 1.00 73.44 O ATOM 616 CB HIS A 41 8.801 -0.286 -8.384 1.00 51.21 C ATOM 617 CG HIS A 41 10.006 0.518 -8.001 1.00 75.33 C ATOM 618 ND1 HIS A 41 10.133 1.830 -7.693 1.00 4.41 N flip ATOM 619 CD2 HIS A 41 11.270 -0.023 -7.903 1.00 65.54 C flip ATOM 620 CE1 HIS A 41 11.459 2.055 -7.416 1.00 71.34 C flip ATOM 621 NE2 HIS A 41 12.124 0.922 -7.549 1.00 43.43 N flip ATOM 0 H HIS A 41 8.965 2.150 -9.709 1.00 54.41 H new ATOM 0 HA HIS A 41 7.155 -0.194 -9.762 1.00 64.12 H new ATOM 0 HB2 HIS A 41 8.325 -0.665 -7.480 1.00 51.21 H new ATOM 0 HB3 HIS A 41 9.121 -1.152 -8.963 1.00 51.21 H new ATOM 0 HD1 HIS A 41 9.384 2.522 -7.671 1.00 4.41 H new ATOM 0 HD2 HIS A 41 11.523 -1.057 -8.087 1.00 65.54 H new ATOM 0 HE1 HIS A 41 11.889 3.005 -7.135 1.00 71.34 H new ATOM 629 N PHE A 42 5.804 0.655 -7.786 1.00 73.41 N ATOM 630 CA PHE A 42 4.859 1.301 -6.882 1.00 62.04 C ATOM 631 C PHE A 42 5.090 0.852 -5.443 1.00 34.35 C ATOM 632 O PHE A 42 5.296 -0.332 -5.177 1.00 71.20 O ATOM 633 CB PHE A 42 3.422 0.987 -7.303 1.00 31.21 C ATOM 634 CG PHE A 42 2.911 1.875 -8.401 1.00 13.12 C ATOM 635 CD1 PHE A 42 3.778 2.403 -9.343 1.00 42.14 C ATOM 636 CD2 PHE A 42 1.563 2.183 -8.490 1.00 34.31 C ATOM 637 CE1 PHE A 42 3.311 3.221 -10.355 1.00 70.42 C ATOM 638 CE2 PHE A 42 1.090 2.999 -9.500 1.00 14.33 C ATOM 639 CZ PHE A 42 1.965 3.520 -10.433 1.00 30.13 C ATOM 0 H PHE A 42 5.574 -0.312 -8.015 1.00 73.41 H new ATOM 0 HA PHE A 42 5.019 2.378 -6.938 1.00 62.04 H new ATOM 0 HB2 PHE A 42 3.367 -0.051 -7.631 1.00 31.21 H new ATOM 0 HB3 PHE A 42 2.769 1.083 -6.436 1.00 31.21 H new ATOM 0 HD1 PHE A 42 4.832 2.173 -9.286 1.00 42.14 H new ATOM 0 HD2 PHE A 42 0.874 1.781 -7.762 1.00 34.31 H new ATOM 0 HE1 PHE A 42 3.998 3.626 -11.084 1.00 70.42 H new ATOM 0 HE2 PHE A 42 0.037 3.229 -9.560 1.00 14.33 H new ATOM 0 HZ PHE A 42 1.597 4.160 -11.222 1.00 30.13 H new ATOM 649 N GLN A 43 5.053 1.806 -4.518 1.00 63.02 N ATOM 650 CA GLN A 43 5.259 1.509 -3.106 1.00 22.24 C ATOM 651 C GLN A 43 4.406 2.419 -2.228 1.00 24.01 C ATOM 652 O GLN A 43 4.352 3.630 -2.440 1.00 72.52 O ATOM 653 CB GLN A 43 6.736 1.666 -2.740 1.00 22.42 C ATOM 654 CG GLN A 43 7.438 0.346 -2.466 1.00 25.43 C ATOM 655 CD GLN A 43 8.875 0.337 -2.950 1.00 51.14 C ATOM 656 OE1 GLN A 43 9.057 0.211 -4.260 1.00 34.20 O flip ATOM 657 NE2 GLN A 43 9.811 0.443 -2.157 1.00 25.24 N flip ATOM 0 H GLN A 43 4.882 2.791 -4.721 1.00 63.02 H new ATOM 0 HA GLN A 43 4.956 0.477 -2.930 1.00 22.24 H new ATOM 0 HB2 GLN A 43 7.250 2.180 -3.552 1.00 22.42 H new ATOM 0 HB3 GLN A 43 6.818 2.301 -1.858 1.00 22.42 H new ATOM 0 HG2 GLN A 43 7.418 0.144 -1.395 1.00 25.43 H new ATOM 0 HG3 GLN A 43 6.890 -0.461 -2.953 1.00 25.43 H new ATOM 0 HE21 GLN A 43 9.625 0.538 -1.159 1.00 25.24 H new ATOM 0 HE22 GLN A 43 10.772 0.436 -2.499 1.00 25.24 H new ATOM 666 N GLY A 44 3.741 1.827 -1.241 1.00 11.15 N ATOM 667 CA GLY A 44 2.899 2.600 -0.346 1.00 31.41 C ATOM 668 C GLY A 44 2.222 1.738 0.702 1.00 42.03 C ATOM 669 O GLY A 44 2.540 0.557 0.844 1.00 70.01 O ATOM 0 H GLY A 44 3.770 0.826 -1.045 1.00 11.15 H new ATOM 0 HA2 GLY A 44 3.502 3.361 0.149 1.00 31.41 H new ATOM 0 HA3 GLY A 44 2.140 3.123 -0.928 1.00 31.41 H new ATOM 673 N TYR A 45 1.288 2.329 1.438 1.00 2.31 N ATOM 674 CA TYR A 45 0.568 1.609 2.481 1.00 33.02 C ATOM 675 C TYR A 45 -0.938 1.671 2.245 1.00 33.33 C ATOM 676 O TYR A 45 -1.465 2.686 1.789 1.00 30.01 O ATOM 677 CB TYR A 45 0.904 2.189 3.856 1.00 0.01 C ATOM 678 CG TYR A 45 0.641 3.674 3.968 1.00 74.32 C ATOM 679 CD1 TYR A 45 -0.648 4.158 4.156 1.00 52.12 C ATOM 680 CD2 TYR A 45 1.680 4.592 3.884 1.00 13.14 C ATOM 681 CE1 TYR A 45 -0.894 5.514 4.258 1.00 60.32 C ATOM 682 CE2 TYR A 45 1.443 5.949 3.987 1.00 45.33 C ATOM 683 CZ TYR A 45 0.155 6.405 4.173 1.00 1.21 C ATOM 684 OH TYR A 45 -0.084 7.756 4.274 1.00 15.51 O ATOM 0 H TYR A 45 1.012 3.305 1.332 1.00 2.31 H new ATOM 0 HA TYR A 45 0.880 0.565 2.448 1.00 33.02 H new ATOM 0 HB2 TYR A 45 0.320 1.667 4.614 1.00 0.01 H new ATOM 0 HB3 TYR A 45 1.954 1.997 4.075 1.00 0.01 H new ATOM 0 HD1 TYR A 45 -1.472 3.463 4.224 1.00 52.12 H new ATOM 0 HD2 TYR A 45 2.690 4.239 3.736 1.00 13.14 H new ATOM 0 HE1 TYR A 45 -1.902 5.874 4.403 1.00 60.32 H new ATOM 0 HE2 TYR A 45 2.263 6.649 3.922 1.00 45.33 H new ATOM 0 HH TYR A 45 0.762 8.245 4.195 1.00 15.51 H new ATOM 694 N ILE A 46 -1.625 0.578 2.560 1.00 70.30 N ATOM 695 CA ILE A 46 -3.070 0.507 2.384 1.00 13.24 C ATOM 696 C ILE A 46 -3.742 -0.120 3.601 1.00 0.35 C ATOM 697 O ILE A 46 -3.362 -1.204 4.042 1.00 4.33 O ATOM 698 CB ILE A 46 -3.446 -0.304 1.130 1.00 12.41 C ATOM 699 CG1 ILE A 46 -2.824 0.327 -0.117 1.00 42.31 C ATOM 700 CG2 ILE A 46 -4.959 -0.389 0.989 1.00 65.55 C ATOM 701 CD1 ILE A 46 -2.893 -0.559 -1.341 1.00 51.32 C ATOM 0 H ILE A 46 -1.204 -0.270 2.938 1.00 70.30 H new ATOM 0 HA ILE A 46 -3.423 1.531 2.264 1.00 13.24 H new ATOM 0 HB ILE A 46 -3.053 -1.315 1.237 1.00 12.41 H new ATOM 0 HG12 ILE A 46 -3.332 1.268 -0.330 1.00 42.31 H new ATOM 0 HG13 ILE A 46 -1.781 0.568 0.089 1.00 42.31 H new ATOM 0 HG21 ILE A 46 -5.210 -0.965 0.098 1.00 65.55 H new ATOM 0 HG22 ILE A 46 -5.379 -0.878 1.868 1.00 65.55 H new ATOM 0 HG23 ILE A 46 -5.373 0.615 0.900 1.00 65.55 H new ATOM 0 HD11 ILE A 46 -2.433 -0.048 -2.187 1.00 51.32 H new ATOM 0 HD12 ILE A 46 -2.360 -1.490 -1.147 1.00 51.32 H new ATOM 0 HD13 ILE A 46 -3.935 -0.779 -1.573 1.00 51.32 H new ATOM 713 N GLU A 47 -4.744 0.570 4.138 1.00 21.43 N ATOM 714 CA GLU A 47 -5.469 0.079 5.304 1.00 34.12 C ATOM 715 C GLU A 47 -6.858 -0.418 4.911 1.00 23.25 C ATOM 716 O GLU A 47 -7.682 0.344 4.408 1.00 40.41 O ATOM 717 CB GLU A 47 -5.590 1.181 6.359 1.00 42.03 C ATOM 718 CG GLU A 47 -4.252 1.756 6.793 1.00 13.33 C ATOM 719 CD GLU A 47 -3.814 1.251 8.154 1.00 33.12 C ATOM 720 OE1 GLU A 47 -4.236 0.141 8.539 1.00 31.44 O ATOM 721 OE2 GLU A 47 -3.049 1.967 8.834 1.00 70.40 O ATOM 0 H GLU A 47 -5.071 1.469 3.785 1.00 21.43 H new ATOM 0 HA GLU A 47 -4.908 -0.756 5.724 1.00 34.12 H new ATOM 0 HB2 GLU A 47 -6.211 1.985 5.963 1.00 42.03 H new ATOM 0 HB3 GLU A 47 -6.105 0.781 7.233 1.00 42.03 H new ATOM 0 HG2 GLU A 47 -3.494 1.500 6.053 1.00 13.33 H new ATOM 0 HG3 GLU A 47 -4.319 2.844 6.817 1.00 13.33 H new ATOM 728 N MET A 48 -7.108 -1.702 5.145 1.00 20.34 N ATOM 729 CA MET A 48 -8.396 -2.302 4.817 1.00 52.42 C ATOM 730 C MET A 48 -9.429 -1.996 5.897 1.00 54.34 C ATOM 731 O MET A 48 -9.134 -1.313 6.878 1.00 63.51 O ATOM 732 CB MET A 48 -8.251 -3.815 4.648 1.00 25.10 C ATOM 733 CG MET A 48 -7.250 -4.213 3.575 1.00 73.50 C ATOM 734 SD MET A 48 -7.612 -3.464 1.976 1.00 41.34 S ATOM 735 CE MET A 48 -8.943 -4.516 1.401 1.00 25.34 C ATOM 0 H MET A 48 -6.436 -2.347 5.560 1.00 20.34 H new ATOM 0 HA MET A 48 -8.740 -1.871 3.877 1.00 52.42 H new ATOM 0 HB2 MET A 48 -7.945 -4.251 5.599 1.00 25.10 H new ATOM 0 HB3 MET A 48 -9.224 -4.240 4.401 1.00 25.10 H new ATOM 0 HG2 MET A 48 -6.249 -3.920 3.891 1.00 73.50 H new ATOM 0 HG3 MET A 48 -7.247 -5.298 3.471 1.00 73.50 H new ATOM 0 HE1 MET A 48 -9.003 -4.465 0.314 1.00 25.34 H new ATOM 0 HE2 MET A 48 -8.751 -5.545 1.706 1.00 25.34 H new ATOM 0 HE3 MET A 48 -9.885 -4.179 1.833 1.00 25.34 H new ATOM 745 N LYS A 49 -10.643 -2.504 5.709 1.00 25.23 N ATOM 746 CA LYS A 49 -11.720 -2.287 6.667 1.00 10.33 C ATOM 747 C LYS A 49 -11.268 -2.632 8.083 1.00 43.24 C ATOM 748 O LYS A 49 -11.251 -1.775 8.967 1.00 75.03 O ATOM 749 CB LYS A 49 -12.942 -3.128 6.292 1.00 62.34 C ATOM 750 CG LYS A 49 -14.265 -2.460 6.622 1.00 73.15 C ATOM 751 CD LYS A 49 -14.457 -1.180 5.826 1.00 10.43 C ATOM 752 CE LYS A 49 -15.473 -1.364 4.709 1.00 2.14 C ATOM 753 NZ LYS A 49 -16.739 -0.629 4.984 1.00 44.00 N ATOM 0 H LYS A 49 -10.905 -3.069 4.901 1.00 25.23 H new ATOM 0 HA LYS A 49 -11.990 -1.231 6.638 1.00 10.33 H new ATOM 0 HB2 LYS A 49 -12.910 -3.344 5.224 1.00 62.34 H new ATOM 0 HB3 LYS A 49 -12.888 -4.084 6.812 1.00 62.34 H new ATOM 0 HG2 LYS A 49 -15.084 -3.148 6.410 1.00 73.15 H new ATOM 0 HG3 LYS A 49 -14.305 -2.236 7.688 1.00 73.15 H new ATOM 0 HD2 LYS A 49 -14.787 -0.383 6.492 1.00 10.43 H new ATOM 0 HD3 LYS A 49 -13.502 -0.867 5.403 1.00 10.43 H new ATOM 0 HE2 LYS A 49 -15.047 -1.014 3.769 1.00 2.14 H new ATOM 0 HE3 LYS A 49 -15.689 -2.425 4.585 1.00 2.14 H new ATOM 0 HZ1 LYS A 49 -17.405 -0.780 4.200 1.00 44.00 H new ATOM 0 HZ2 LYS A 49 -17.160 -0.980 5.868 1.00 44.00 H new ATOM 0 HZ3 LYS A 49 -16.537 0.387 5.077 1.00 44.00 H new ATOM 767 N LYS A 50 -10.899 -3.891 8.291 1.00 73.35 N ATOM 768 CA LYS A 50 -10.444 -4.350 9.597 1.00 4.14 C ATOM 769 C LYS A 50 -10.078 -5.830 9.558 1.00 72.34 C ATOM 770 O LYS A 50 -8.900 -6.189 9.558 1.00 15.22 O ATOM 771 CB LYS A 50 -11.527 -4.109 10.651 1.00 24.15 C ATOM 772 CG LYS A 50 -11.152 -3.056 11.679 1.00 4.52 C ATOM 773 CD LYS A 50 -12.341 -2.671 12.543 1.00 51.10 C ATOM 774 CE LYS A 50 -12.469 -3.583 13.754 1.00 40.15 C ATOM 775 NZ LYS A 50 -13.887 -3.743 14.180 1.00 3.53 N ATOM 0 H LYS A 50 -10.906 -4.613 7.570 1.00 73.35 H new ATOM 0 HA LYS A 50 -9.553 -3.781 9.863 1.00 4.14 H new ATOM 0 HB2 LYS A 50 -12.447 -3.806 10.152 1.00 24.15 H new ATOM 0 HB3 LYS A 50 -11.738 -5.047 11.164 1.00 24.15 H new ATOM 0 HG2 LYS A 50 -10.349 -3.434 12.312 1.00 4.52 H new ATOM 0 HG3 LYS A 50 -10.768 -2.171 11.171 1.00 4.52 H new ATOM 0 HD2 LYS A 50 -12.232 -1.638 12.874 1.00 51.10 H new ATOM 0 HD3 LYS A 50 -13.254 -2.721 11.950 1.00 51.10 H new ATOM 0 HE2 LYS A 50 -12.048 -4.560 13.519 1.00 40.15 H new ATOM 0 HE3 LYS A 50 -11.886 -3.175 14.579 1.00 40.15 H new ATOM 0 HZ1 LYS A 50 -13.932 -4.371 15.008 1.00 3.53 H new ATOM 0 HZ2 LYS A 50 -14.282 -2.814 14.429 1.00 3.53 H new ATOM 0 HZ3 LYS A 50 -14.439 -4.156 13.401 1.00 3.53 H new ATOM 789 N ARG A 51 -11.095 -6.685 9.522 1.00 71.34 N ATOM 790 CA ARG A 51 -10.880 -8.127 9.481 1.00 12.30 C ATOM 791 C ARG A 51 -10.693 -8.608 8.045 1.00 34.32 C ATOM 792 O ARG A 51 -11.373 -9.531 7.595 1.00 63.44 O ATOM 793 CB ARG A 51 -12.059 -8.858 10.126 1.00 1.13 C ATOM 794 CG ARG A 51 -11.668 -10.158 10.810 1.00 15.13 C ATOM 795 CD ARG A 51 -12.657 -10.531 11.904 1.00 54.14 C ATOM 796 NE ARG A 51 -12.282 -9.966 13.197 1.00 55.31 N ATOM 797 CZ ARG A 51 -13.098 -9.922 14.244 1.00 33.44 C ATOM 798 NH1 ARG A 51 -14.328 -10.409 14.152 1.00 71.05 N ATOM 799 NH2 ARG A 51 -12.684 -9.392 15.388 1.00 71.10 N ATOM 0 H ARG A 51 -12.076 -6.404 9.520 1.00 71.34 H new ATOM 0 HA ARG A 51 -9.972 -8.350 10.042 1.00 12.30 H new ATOM 0 HB2 ARG A 51 -12.528 -8.199 10.857 1.00 1.13 H new ATOM 0 HB3 ARG A 51 -12.807 -9.070 9.362 1.00 1.13 H new ATOM 0 HG2 ARG A 51 -11.621 -10.959 10.072 1.00 15.13 H new ATOM 0 HG3 ARG A 51 -10.670 -10.060 11.238 1.00 15.13 H new ATOM 0 HD2 ARG A 51 -13.651 -10.179 11.629 1.00 54.14 H new ATOM 0 HD3 ARG A 51 -12.715 -11.616 11.986 1.00 54.14 H new ATOM 0 HE ARG A 51 -11.342 -9.584 13.302 1.00 55.31 H new ATOM 0 HH11 ARG A 51 -14.650 -10.819 13.275 1.00 71.05 H new ATOM 0 HH12 ARG A 51 -14.952 -10.374 14.958 1.00 71.05 H new ATOM 0 HH21 ARG A 51 -11.738 -9.018 15.464 1.00 71.10 H new ATOM 0 HH22 ARG A 51 -13.312 -9.359 16.191 1.00 71.10 H new ATOM 813 N THR A 52 -9.768 -7.976 7.330 1.00 23.51 N ATOM 814 CA THR A 52 -9.492 -8.339 5.946 1.00 55.55 C ATOM 815 C THR A 52 -8.082 -8.896 5.793 1.00 41.11 C ATOM 816 O THR A 52 -7.098 -8.189 6.010 1.00 40.44 O ATOM 817 CB THR A 52 -9.659 -7.130 5.005 1.00 33.10 C ATOM 818 OG1 THR A 52 -10.734 -6.300 5.460 1.00 62.02 O ATOM 819 CG2 THR A 52 -9.933 -7.587 3.580 1.00 21.11 C ATOM 0 H THR A 52 -9.197 -7.210 7.687 1.00 23.51 H new ATOM 0 HA THR A 52 -10.214 -9.108 5.671 1.00 55.55 H new ATOM 0 HB THR A 52 -8.730 -6.559 5.014 1.00 33.10 H new ATOM 0 HG1 THR A 52 -10.938 -5.626 4.779 1.00 62.02 H new ATOM 0 HG21 THR A 52 -10.047 -6.716 2.934 1.00 21.11 H new ATOM 0 HG22 THR A 52 -9.100 -8.194 3.226 1.00 21.11 H new ATOM 0 HG23 THR A 52 -10.848 -8.178 3.557 1.00 21.11 H new ATOM 827 N SER A 53 -7.990 -10.168 5.418 1.00 54.20 N ATOM 828 CA SER A 53 -6.699 -10.821 5.239 1.00 30.13 C ATOM 829 C SER A 53 -6.060 -10.409 3.916 1.00 33.14 C ATOM 830 O SER A 53 -6.629 -9.625 3.156 1.00 15.32 O ATOM 831 CB SER A 53 -6.862 -12.342 5.288 1.00 3.55 C ATOM 832 OG SER A 53 -8.083 -12.743 4.693 1.00 33.22 O ATOM 0 H SER A 53 -8.795 -10.767 5.232 1.00 54.20 H new ATOM 0 HA SER A 53 -6.045 -10.506 6.052 1.00 30.13 H new ATOM 0 HB2 SER A 53 -6.028 -12.817 4.771 1.00 3.55 H new ATOM 0 HB3 SER A 53 -6.830 -12.681 6.323 1.00 3.55 H new ATOM 0 HG SER A 53 -8.163 -13.719 4.735 1.00 33.22 H new ATOM 838 N LEU A 54 -4.874 -10.943 3.648 1.00 71.51 N ATOM 839 CA LEU A 54 -4.156 -10.633 2.417 1.00 42.51 C ATOM 840 C LEU A 54 -5.043 -10.858 1.197 1.00 71.31 C ATOM 841 O LEU A 54 -4.888 -10.193 0.173 1.00 73.40 O ATOM 842 CB LEU A 54 -2.893 -11.490 2.309 1.00 15.33 C ATOM 843 CG LEU A 54 -2.000 -11.220 1.098 1.00 72.01 C ATOM 844 CD1 LEU A 54 -1.362 -9.843 1.201 1.00 32.41 C ATOM 845 CD2 LEU A 54 -0.932 -12.297 0.972 1.00 13.24 C ATOM 0 H LEU A 54 -4.389 -11.593 4.267 1.00 71.51 H new ATOM 0 HA LEU A 54 -3.872 -9.581 2.447 1.00 42.51 H new ATOM 0 HB2 LEU A 54 -2.300 -11.343 3.212 1.00 15.33 H new ATOM 0 HB3 LEU A 54 -3.190 -12.539 2.289 1.00 15.33 H new ATOM 0 HG LEU A 54 -2.619 -11.244 0.201 1.00 72.01 H new ATOM 0 HD11 LEU A 54 -0.730 -9.669 0.330 1.00 32.41 H new ATOM 0 HD12 LEU A 54 -2.142 -9.083 1.241 1.00 32.41 H new ATOM 0 HD13 LEU A 54 -0.756 -9.789 2.106 1.00 32.41 H new ATOM 0 HD21 LEU A 54 -0.306 -12.089 0.105 1.00 13.24 H new ATOM 0 HD22 LEU A 54 -0.316 -12.305 1.871 1.00 13.24 H new ATOM 0 HD23 LEU A 54 -1.409 -13.270 0.850 1.00 13.24 H new ATOM 857 N ALA A 55 -5.974 -11.799 1.315 1.00 71.32 N ATOM 858 CA ALA A 55 -6.889 -12.110 0.223 1.00 10.33 C ATOM 859 C ALA A 55 -7.609 -10.856 -0.263 1.00 30.43 C ATOM 860 O ALA A 55 -7.927 -10.730 -1.444 1.00 74.43 O ATOM 861 CB ALA A 55 -7.896 -13.163 0.662 1.00 10.40 C ATOM 0 H ALA A 55 -6.115 -12.359 2.156 1.00 71.32 H new ATOM 0 HA ALA A 55 -6.304 -12.506 -0.607 1.00 10.33 H new ATOM 0 HB1 ALA A 55 -8.573 -13.386 -0.163 1.00 10.40 H new ATOM 0 HB2 ALA A 55 -7.369 -14.071 0.954 1.00 10.40 H new ATOM 0 HB3 ALA A 55 -8.469 -12.788 1.510 1.00 10.40 H new ATOM 867 N GLY A 56 -7.864 -9.931 0.658 1.00 63.14 N ATOM 868 CA GLY A 56 -8.545 -8.700 0.303 1.00 35.00 C ATOM 869 C GLY A 56 -7.677 -7.774 -0.525 1.00 61.12 C ATOM 870 O GLY A 56 -8.129 -7.218 -1.526 1.00 31.14 O ATOM 0 H GLY A 56 -7.611 -10.013 1.643 1.00 63.14 H new ATOM 0 HA2 GLY A 56 -9.451 -8.938 -0.254 1.00 35.00 H new ATOM 0 HA3 GLY A 56 -8.855 -8.185 1.212 1.00 35.00 H new ATOM 874 N MET A 57 -6.426 -7.607 -0.107 1.00 55.11 N ATOM 875 CA MET A 57 -5.493 -6.741 -0.818 1.00 22.11 C ATOM 876 C MET A 57 -5.060 -7.375 -2.136 1.00 43.42 C ATOM 877 O MET A 57 -5.081 -6.728 -3.184 1.00 62.50 O ATOM 878 CB MET A 57 -4.267 -6.455 0.051 1.00 24.11 C ATOM 879 CG MET A 57 -4.594 -5.725 1.343 1.00 35.14 C ATOM 880 SD MET A 57 -4.189 -3.970 1.272 1.00 40.44 S ATOM 881 CE MET A 57 -4.870 -3.530 -0.325 1.00 54.14 C ATOM 0 H MET A 57 -6.036 -8.060 0.720 1.00 55.11 H new ATOM 0 HA MET A 57 -6.001 -5.802 -1.037 1.00 22.11 H new ATOM 0 HB2 MET A 57 -3.774 -7.397 0.291 1.00 24.11 H new ATOM 0 HB3 MET A 57 -3.556 -5.860 -0.523 1.00 24.11 H new ATOM 0 HG2 MET A 57 -5.656 -5.840 1.562 1.00 35.14 H new ATOM 0 HG3 MET A 57 -4.047 -6.187 2.165 1.00 35.14 H new ATOM 0 HE1 MET A 57 -4.636 -2.489 -0.546 1.00 54.14 H new ATOM 0 HE2 MET A 57 -4.437 -4.170 -1.094 1.00 54.14 H new ATOM 0 HE3 MET A 57 -5.952 -3.663 -0.309 1.00 54.14 H new ATOM 891 N LYS A 58 -4.667 -8.642 -2.077 1.00 62.52 N ATOM 892 CA LYS A 58 -4.229 -9.364 -3.266 1.00 73.50 C ATOM 893 C LYS A 58 -5.293 -9.309 -4.358 1.00 64.22 C ATOM 894 O LYS A 58 -4.976 -9.303 -5.548 1.00 2.10 O ATOM 895 CB LYS A 58 -3.917 -10.821 -2.917 1.00 22.41 C ATOM 896 CG LYS A 58 -2.738 -11.392 -3.686 1.00 3.31 C ATOM 897 CD LYS A 58 -1.661 -11.914 -2.749 1.00 51.23 C ATOM 898 CE LYS A 58 -2.138 -13.134 -1.977 1.00 13.14 C ATOM 899 NZ LYS A 58 -1.037 -14.109 -1.744 1.00 2.32 N ATOM 0 H LYS A 58 -4.643 -9.191 -1.218 1.00 62.52 H new ATOM 0 HA LYS A 58 -3.324 -8.884 -3.639 1.00 73.50 H new ATOM 0 HB2 LYS A 58 -3.713 -10.894 -1.849 1.00 22.41 H new ATOM 0 HB3 LYS A 58 -4.799 -11.430 -3.116 1.00 22.41 H new ATOM 0 HG2 LYS A 58 -3.081 -12.199 -4.333 1.00 3.31 H new ATOM 0 HG3 LYS A 58 -2.317 -10.622 -4.333 1.00 3.31 H new ATOM 0 HD2 LYS A 58 -0.771 -12.171 -3.323 1.00 51.23 H new ATOM 0 HD3 LYS A 58 -1.374 -11.129 -2.050 1.00 51.23 H new ATOM 0 HE2 LYS A 58 -2.552 -12.819 -1.019 1.00 13.14 H new ATOM 0 HE3 LYS A 58 -2.943 -13.620 -2.528 1.00 13.14 H new ATOM 0 HZ1 LYS A 58 -1.325 -14.790 -1.013 1.00 2.32 H new ATOM 0 HZ2 LYS A 58 -0.830 -14.617 -2.628 1.00 2.32 H new ATOM 0 HZ3 LYS A 58 -0.185 -13.602 -1.429 1.00 2.32 H new ATOM 913 N LYS A 59 -6.555 -9.268 -3.947 1.00 13.12 N ATOM 914 CA LYS A 59 -7.666 -9.210 -4.889 1.00 72.14 C ATOM 915 C LYS A 59 -7.538 -7.999 -5.808 1.00 12.14 C ATOM 916 O LYS A 59 -7.960 -8.037 -6.964 1.00 42.44 O ATOM 917 CB LYS A 59 -8.998 -9.155 -4.137 1.00 42.22 C ATOM 918 CG LYS A 59 -9.824 -10.423 -4.269 1.00 2.43 C ATOM 919 CD LYS A 59 -10.664 -10.672 -3.028 1.00 12.25 C ATOM 920 CE LYS A 59 -12.122 -10.924 -3.383 1.00 24.14 C ATOM 921 NZ LYS A 59 -12.969 -11.084 -2.168 1.00 43.33 N ATOM 0 H LYS A 59 -6.835 -9.274 -2.966 1.00 13.12 H new ATOM 0 HA LYS A 59 -7.638 -10.112 -5.500 1.00 72.14 H new ATOM 0 HB2 LYS A 59 -8.802 -8.967 -3.081 1.00 42.22 H new ATOM 0 HB3 LYS A 59 -9.581 -8.312 -4.508 1.00 42.22 H new ATOM 0 HG2 LYS A 59 -10.474 -10.346 -5.140 1.00 2.43 H new ATOM 0 HG3 LYS A 59 -9.163 -11.273 -4.439 1.00 2.43 H new ATOM 0 HD2 LYS A 59 -10.267 -11.530 -2.485 1.00 12.25 H new ATOM 0 HD3 LYS A 59 -10.594 -9.812 -2.361 1.00 12.25 H new ATOM 0 HE2 LYS A 59 -12.499 -10.095 -3.982 1.00 24.14 H new ATOM 0 HE3 LYS A 59 -12.196 -11.821 -3.998 1.00 24.14 H new ATOM 0 HZ1 LYS A 59 -13.955 -11.254 -2.452 1.00 43.33 H new ATOM 0 HZ2 LYS A 59 -12.626 -11.891 -1.609 1.00 43.33 H new ATOM 0 HZ3 LYS A 59 -12.919 -10.219 -1.593 1.00 43.33 H new ATOM 935 N LEU A 60 -6.953 -6.926 -5.286 1.00 71.32 N ATOM 936 CA LEU A 60 -6.768 -5.704 -6.060 1.00 41.40 C ATOM 937 C LEU A 60 -5.578 -5.833 -7.006 1.00 13.30 C ATOM 938 O LEU A 60 -5.629 -5.375 -8.148 1.00 63.21 O ATOM 939 CB LEU A 60 -6.563 -4.511 -5.125 1.00 10.34 C ATOM 940 CG LEU A 60 -7.812 -3.998 -4.407 1.00 32.32 C ATOM 941 CD1 LEU A 60 -8.312 -5.027 -3.405 1.00 21.44 C ATOM 942 CD2 LEU A 60 -7.524 -2.674 -3.715 1.00 54.33 C ATOM 0 H LEU A 60 -6.599 -6.878 -4.331 1.00 71.32 H new ATOM 0 HA LEU A 60 -7.666 -5.541 -6.656 1.00 41.40 H new ATOM 0 HB2 LEU A 60 -5.824 -4.787 -4.373 1.00 10.34 H new ATOM 0 HB3 LEU A 60 -6.138 -3.691 -5.703 1.00 10.34 H new ATOM 0 HG LEU A 60 -8.593 -3.834 -5.150 1.00 32.32 H new ATOM 0 HD11 LEU A 60 -9.201 -4.645 -2.904 1.00 21.44 H new ATOM 0 HD12 LEU A 60 -8.559 -5.952 -3.926 1.00 21.44 H new ATOM 0 HD13 LEU A 60 -7.535 -5.223 -2.666 1.00 21.44 H new ATOM 0 HD21 LEU A 60 -8.424 -2.324 -3.209 1.00 54.33 H new ATOM 0 HD22 LEU A 60 -6.727 -2.811 -2.984 1.00 54.33 H new ATOM 0 HD23 LEU A 60 -7.214 -1.936 -4.455 1.00 54.33 H new ATOM 954 N ILE A 61 -4.511 -6.460 -6.524 1.00 1.03 N ATOM 955 CA ILE A 61 -3.310 -6.652 -7.328 1.00 33.14 C ATOM 956 C ILE A 61 -2.658 -7.997 -7.028 1.00 62.43 C ATOM 957 O ILE A 61 -1.667 -8.087 -6.304 1.00 24.24 O ATOM 958 CB ILE A 61 -2.284 -5.530 -7.083 1.00 24.51 C ATOM 959 CG1 ILE A 61 -2.910 -4.164 -7.370 1.00 20.31 C ATOM 960 CG2 ILE A 61 -1.049 -5.745 -7.946 1.00 31.12 C ATOM 961 CD1 ILE A 61 -3.598 -3.551 -6.170 1.00 45.23 C ATOM 0 H ILE A 61 -4.453 -6.844 -5.581 1.00 1.03 H new ATOM 0 HA ILE A 61 -3.621 -6.627 -8.372 1.00 33.14 H new ATOM 0 HB ILE A 61 -1.982 -5.556 -6.036 1.00 24.51 H new ATOM 0 HG12 ILE A 61 -2.134 -3.484 -7.720 1.00 20.31 H new ATOM 0 HG13 ILE A 61 -3.632 -4.267 -8.180 1.00 20.31 H new ATOM 0 HG21 ILE A 61 -0.333 -4.944 -7.762 1.00 31.12 H new ATOM 0 HG22 ILE A 61 -0.594 -6.704 -7.697 1.00 31.12 H new ATOM 0 HG23 ILE A 61 -1.335 -5.741 -8.998 1.00 31.12 H new ATOM 0 HD11 ILE A 61 -4.019 -2.584 -6.446 1.00 45.23 H new ATOM 0 HD12 ILE A 61 -4.397 -4.211 -5.832 1.00 45.23 H new ATOM 0 HD13 ILE A 61 -2.875 -3.416 -5.366 1.00 45.23 H new ATOM 973 N PRO A 62 -3.224 -9.070 -7.600 1.00 75.14 N ATOM 974 CA PRO A 62 -2.713 -10.431 -7.412 1.00 0.15 C ATOM 975 C PRO A 62 -1.372 -10.648 -8.105 1.00 11.45 C ATOM 976 O PRO A 62 -1.300 -10.719 -9.331 1.00 13.34 O ATOM 977 CB PRO A 62 -3.793 -11.308 -8.050 1.00 41.43 C ATOM 978 CG PRO A 62 -4.453 -10.425 -9.053 1.00 33.23 C ATOM 979 CD PRO A 62 -4.408 -9.037 -8.476 1.00 62.22 C ATOM 0 HA PRO A 62 -2.529 -10.655 -6.361 1.00 0.15 H new ATOM 0 HB2 PRO A 62 -3.359 -12.189 -8.523 1.00 41.43 H new ATOM 0 HB3 PRO A 62 -4.505 -11.663 -7.306 1.00 41.43 H new ATOM 0 HG2 PRO A 62 -3.934 -10.466 -10.011 1.00 33.23 H new ATOM 0 HG3 PRO A 62 -5.481 -10.740 -9.233 1.00 33.23 H new ATOM 0 HD2 PRO A 62 -4.311 -8.281 -9.255 1.00 62.22 H new ATOM 0 HD3 PRO A 62 -5.315 -8.804 -7.918 1.00 62.22 H new ATOM 987 N GLY A 63 -0.311 -10.752 -7.311 1.00 24.34 N ATOM 988 CA GLY A 63 1.014 -10.960 -7.866 1.00 72.23 C ATOM 989 C GLY A 63 2.068 -10.109 -7.186 1.00 70.33 C ATOM 990 O GLY A 63 3.228 -10.507 -7.089 1.00 23.32 O ATOM 0 H GLY A 63 -0.345 -10.696 -6.293 1.00 24.34 H new ATOM 0 HA2 GLY A 63 1.284 -12.012 -7.770 1.00 72.23 H new ATOM 0 HA3 GLY A 63 0.998 -10.731 -8.931 1.00 72.23 H new ATOM 994 N ALA A 64 1.664 -8.934 -6.716 1.00 43.41 N ATOM 995 CA ALA A 64 2.583 -8.025 -6.041 1.00 54.45 C ATOM 996 C ALA A 64 3.049 -8.604 -4.710 1.00 41.32 C ATOM 997 O ALA A 64 2.487 -9.582 -4.216 1.00 1.30 O ATOM 998 CB ALA A 64 1.923 -6.670 -5.828 1.00 31.30 C ATOM 0 H ALA A 64 0.707 -8.589 -6.790 1.00 43.41 H new ATOM 0 HA ALA A 64 3.459 -7.894 -6.677 1.00 54.45 H new ATOM 0 HB1 ALA A 64 2.620 -6.001 -5.323 1.00 31.30 H new ATOM 0 HB2 ALA A 64 1.646 -6.245 -6.793 1.00 31.30 H new ATOM 0 HB3 ALA A 64 1.030 -6.793 -5.216 1.00 31.30 H new ATOM 1004 N HIS A 65 4.081 -7.995 -4.134 1.00 14.50 N ATOM 1005 CA HIS A 65 4.623 -8.450 -2.859 1.00 33.31 C ATOM 1006 C HIS A 65 4.014 -7.668 -1.699 1.00 34.40 C ATOM 1007 O HIS A 65 4.248 -6.468 -1.555 1.00 23.44 O ATOM 1008 CB HIS A 65 6.144 -8.302 -2.846 1.00 25.34 C ATOM 1009 CG HIS A 65 6.821 -9.166 -1.826 1.00 64.35 C ATOM 1010 ND1 HIS A 65 7.891 -8.739 -1.068 1.00 52.33 N ATOM 1011 CD2 HIS A 65 6.574 -10.440 -1.441 1.00 41.00 C ATOM 1012 CE1 HIS A 65 8.273 -9.713 -0.262 1.00 2.43 C ATOM 1013 NE2 HIS A 65 7.490 -10.756 -0.468 1.00 10.02 N ATOM 0 H HIS A 65 4.558 -7.185 -4.530 1.00 14.50 H new ATOM 0 HA HIS A 65 4.367 -9.503 -2.738 1.00 33.31 H new ATOM 0 HB2 HIS A 65 6.533 -8.548 -3.834 1.00 25.34 H new ATOM 0 HB3 HIS A 65 6.398 -7.260 -2.653 1.00 25.34 H new ATOM 0 HD2 HIS A 65 5.801 -11.087 -1.827 1.00 41.00 H new ATOM 0 HE1 HIS A 65 9.088 -9.665 0.445 1.00 2.43 H new ATOM 0 HE2 HIS A 65 7.555 -11.651 0.017 1.00 10.02 H new ATOM 1021 N PHE A 66 3.230 -8.356 -0.875 1.00 71.10 N ATOM 1022 CA PHE A 66 2.585 -7.726 0.271 1.00 5.22 C ATOM 1023 C PHE A 66 3.211 -8.205 1.578 1.00 13.21 C ATOM 1024 O PHE A 66 3.830 -9.267 1.629 1.00 44.45 O ATOM 1025 CB PHE A 66 1.085 -8.028 0.270 1.00 45.34 C ATOM 1026 CG PHE A 66 0.265 -6.987 -0.437 1.00 2.51 C ATOM 1027 CD1 PHE A 66 0.173 -6.979 -1.819 1.00 40.33 C ATOM 1028 CD2 PHE A 66 -0.413 -6.015 0.282 1.00 73.25 C ATOM 1029 CE1 PHE A 66 -0.581 -6.022 -2.473 1.00 33.34 C ATOM 1030 CE2 PHE A 66 -1.169 -5.057 -0.366 1.00 54.42 C ATOM 1031 CZ PHE A 66 -1.252 -5.059 -1.745 1.00 35.31 C ATOM 0 H PHE A 66 3.026 -9.350 -0.980 1.00 71.10 H new ATOM 0 HA PHE A 66 2.731 -6.649 0.191 1.00 5.22 H new ATOM 0 HB2 PHE A 66 0.917 -8.995 -0.204 1.00 45.34 H new ATOM 0 HB3 PHE A 66 0.739 -8.114 1.300 1.00 45.34 H new ATOM 0 HD1 PHE A 66 0.697 -7.729 -2.393 1.00 40.33 H new ATOM 0 HD2 PHE A 66 -0.350 -6.006 1.360 1.00 73.25 H new ATOM 0 HE1 PHE A 66 -0.645 -6.028 -3.551 1.00 33.34 H new ATOM 0 HE2 PHE A 66 -1.695 -4.307 0.206 1.00 54.42 H new ATOM 0 HZ PHE A 66 -1.840 -4.309 -2.253 1.00 35.31 H new ATOM 1041 N GLU A 67 3.043 -7.413 2.633 1.00 42.34 N ATOM 1042 CA GLU A 67 3.592 -7.755 3.939 1.00 24.32 C ATOM 1043 C GLU A 67 2.767 -7.127 5.058 1.00 34.02 C ATOM 1044 O GLU A 67 2.766 -5.909 5.237 1.00 43.23 O ATOM 1045 CB GLU A 67 5.047 -7.293 4.043 1.00 43.31 C ATOM 1046 CG GLU A 67 5.895 -8.152 4.965 1.00 21.42 C ATOM 1047 CD GLU A 67 6.132 -7.502 6.315 1.00 71.34 C ATOM 1048 OE1 GLU A 67 5.207 -6.836 6.823 1.00 13.41 O ATOM 1049 OE2 GLU A 67 7.243 -7.661 6.862 1.00 62.10 O ATOM 0 H GLU A 67 2.531 -6.531 2.608 1.00 42.34 H new ATOM 0 HA GLU A 67 3.554 -8.839 4.047 1.00 24.32 H new ATOM 0 HB2 GLU A 67 5.492 -7.295 3.048 1.00 43.31 H new ATOM 0 HB3 GLU A 67 5.068 -6.263 4.399 1.00 43.31 H new ATOM 0 HG2 GLU A 67 5.405 -9.115 5.111 1.00 21.42 H new ATOM 0 HG3 GLU A 67 6.855 -8.351 4.489 1.00 21.42 H new ATOM 1056 N LYS A 68 2.063 -7.967 5.809 1.00 30.34 N ATOM 1057 CA LYS A 68 1.233 -7.497 6.912 1.00 73.11 C ATOM 1058 C LYS A 68 1.780 -7.982 8.251 1.00 42.35 C ATOM 1059 O LYS A 68 1.063 -8.014 9.250 1.00 14.23 O ATOM 1060 CB LYS A 68 -0.209 -7.979 6.734 1.00 63.43 C ATOM 1061 CG LYS A 68 -1.203 -7.274 7.640 1.00 44.21 C ATOM 1062 CD LYS A 68 -2.205 -8.249 8.234 1.00 0.14 C ATOM 1063 CE LYS A 68 -3.385 -7.522 8.861 1.00 30.32 C ATOM 1064 NZ LYS A 68 -3.084 -7.069 10.247 1.00 13.33 N ATOM 0 H LYS A 68 2.051 -8.978 5.674 1.00 30.34 H new ATOM 0 HA LYS A 68 1.249 -6.407 6.906 1.00 73.11 H new ATOM 0 HB2 LYS A 68 -0.507 -7.830 5.696 1.00 63.43 H new ATOM 0 HB3 LYS A 68 -0.251 -9.051 6.927 1.00 63.43 H new ATOM 0 HG2 LYS A 68 -0.668 -6.766 8.443 1.00 44.21 H new ATOM 0 HG3 LYS A 68 -1.732 -6.507 7.074 1.00 44.21 H new ATOM 0 HD2 LYS A 68 -2.563 -8.923 7.456 1.00 0.14 H new ATOM 0 HD3 LYS A 68 -1.713 -8.864 8.987 1.00 0.14 H new ATOM 0 HE2 LYS A 68 -3.649 -6.661 8.247 1.00 30.32 H new ATOM 0 HE3 LYS A 68 -4.252 -8.182 8.875 1.00 30.32 H new ATOM 0 HZ1 LYS A 68 -3.913 -6.578 10.639 1.00 13.33 H new ATOM 0 HZ2 LYS A 68 -2.857 -7.893 10.840 1.00 13.33 H new ATOM 0 HZ3 LYS A 68 -2.272 -6.419 10.231 1.00 13.33 H new ATOM 1078 N ARG A 69 3.055 -8.356 8.262 1.00 23.45 N ATOM 1079 CA ARG A 69 3.698 -8.839 9.479 1.00 44.23 C ATOM 1080 C ARG A 69 4.170 -7.673 10.343 1.00 23.31 C ATOM 1081 O ARG A 69 4.919 -7.862 11.302 1.00 64.03 O ATOM 1082 CB ARG A 69 4.883 -9.742 9.131 1.00 41.03 C ATOM 1083 CG ARG A 69 4.546 -11.224 9.153 1.00 43.12 C ATOM 1084 CD ARG A 69 5.006 -11.881 10.445 1.00 11.41 C ATOM 1085 NE ARG A 69 3.952 -11.896 11.456 1.00 21.01 N ATOM 1086 CZ ARG A 69 4.176 -12.112 12.748 1.00 72.25 C ATOM 1087 NH1 ARG A 69 5.409 -12.329 13.183 1.00 62.42 N ATOM 1088 NH2 ARG A 69 3.165 -12.111 13.607 1.00 54.34 N ATOM 0 H ARG A 69 3.663 -8.334 7.443 1.00 23.45 H new ATOM 0 HA ARG A 69 2.965 -9.415 10.044 1.00 44.23 H new ATOM 0 HB2 ARG A 69 5.253 -9.477 8.140 1.00 41.03 H new ATOM 0 HB3 ARG A 69 5.693 -9.552 9.835 1.00 41.03 H new ATOM 0 HG2 ARG A 69 3.470 -11.355 9.040 1.00 43.12 H new ATOM 0 HG3 ARG A 69 5.018 -11.718 8.304 1.00 43.12 H new ATOM 0 HD2 ARG A 69 5.325 -12.903 10.239 1.00 11.41 H new ATOM 0 HD3 ARG A 69 5.874 -11.348 10.834 1.00 11.41 H new ATOM 0 HE ARG A 69 2.992 -11.732 11.154 1.00 21.01 H new ATOM 0 HH11 ARG A 69 6.189 -12.330 12.526 1.00 62.42 H new ATOM 0 HH12 ARG A 69 5.578 -12.494 14.175 1.00 62.42 H new ATOM 0 HH21 ARG A 69 2.215 -11.944 13.276 1.00 54.34 H new ATOM 0 HH22 ARG A 69 3.338 -12.277 14.598 1.00 54.34 H new ATOM 1102 N ARG A 70 3.727 -6.469 9.997 1.00 62.12 N ATOM 1103 CA ARG A 70 4.106 -5.273 10.740 1.00 74.13 C ATOM 1104 C ARG A 70 5.608 -5.023 10.640 1.00 74.52 C ATOM 1105 O ARG A 70 6.328 -5.106 11.633 1.00 24.23 O ATOM 1106 CB ARG A 70 3.697 -5.408 12.208 1.00 53.03 C ATOM 1107 CG ARG A 70 2.335 -4.809 12.518 1.00 12.21 C ATOM 1108 CD ARG A 70 1.860 -5.196 13.910 1.00 70.01 C ATOM 1109 NE ARG A 70 2.907 -5.022 14.913 1.00 14.14 N ATOM 1110 CZ ARG A 70 2.876 -5.590 16.114 1.00 54.31 C ATOM 1111 NH1 ARG A 70 1.856 -6.364 16.458 1.00 22.43 N ATOM 1112 NH2 ARG A 70 3.866 -5.383 16.973 1.00 71.44 N ATOM 0 H ARG A 70 3.105 -6.296 9.207 1.00 62.12 H new ATOM 0 HA ARG A 70 3.584 -4.423 10.301 1.00 74.13 H new ATOM 0 HB2 ARG A 70 3.690 -6.464 12.479 1.00 53.03 H new ATOM 0 HB3 ARG A 70 4.448 -4.923 12.832 1.00 53.03 H new ATOM 0 HG2 ARG A 70 2.387 -3.723 12.439 1.00 12.21 H new ATOM 0 HG3 ARG A 70 1.610 -5.148 11.778 1.00 12.21 H new ATOM 0 HD2 ARG A 70 0.995 -4.590 14.180 1.00 70.01 H new ATOM 0 HD3 ARG A 70 1.532 -6.235 13.905 1.00 70.01 H new ATOM 0 HE ARG A 70 3.706 -4.432 14.679 1.00 14.14 H new ATOM 0 HH11 ARG A 70 1.093 -6.524 15.800 1.00 22.43 H new ATOM 0 HH12 ARG A 70 1.834 -6.799 17.380 1.00 22.43 H new ATOM 0 HH21 ARG A 70 4.652 -4.787 16.712 1.00 71.44 H new ATOM 0 HH22 ARG A 70 3.841 -5.819 17.895 1.00 71.44 H new ATOM 1126 N GLY A 71 6.073 -4.718 9.432 1.00 13.11 N ATOM 1127 CA GLY A 71 7.486 -4.462 9.224 1.00 11.14 C ATOM 1128 C GLY A 71 8.006 -3.338 10.099 1.00 61.05 C ATOM 1129 O GLY A 71 9.212 -3.215 10.314 1.00 65.33 O ATOM 0 H GLY A 71 5.496 -4.644 8.594 1.00 13.11 H new ATOM 0 HA2 GLY A 71 8.051 -5.371 9.431 1.00 11.14 H new ATOM 0 HA3 GLY A 71 7.657 -4.212 8.177 1.00 11.14 H new ATOM 1133 N THR A 72 7.094 -2.513 10.604 1.00 44.33 N ATOM 1134 CA THR A 72 7.468 -1.391 11.457 1.00 74.53 C ATOM 1135 C THR A 72 6.393 -1.114 12.502 1.00 71.23 C ATOM 1136 O THR A 72 6.373 -0.048 13.116 1.00 52.13 O ATOM 1137 CB THR A 72 7.707 -0.113 10.631 1.00 21.15 C ATOM 1138 OG1 THR A 72 7.463 -0.372 9.244 1.00 22.45 O ATOM 1139 CG2 THR A 72 9.130 0.391 10.816 1.00 44.23 C ATOM 0 H THR A 72 6.092 -2.601 10.437 1.00 44.33 H new ATOM 0 HA THR A 72 8.395 -1.669 11.958 1.00 74.53 H new ATOM 0 HB THR A 72 7.017 0.655 10.982 1.00 21.15 H new ATOM 0 HG1 THR A 72 8.279 -0.197 8.730 1.00 22.45 H new ATOM 0 HG21 THR A 72 9.276 1.294 10.223 1.00 44.23 H new ATOM 0 HG22 THR A 72 9.302 0.616 11.869 1.00 44.23 H new ATOM 0 HG23 THR A 72 9.833 -0.375 10.489 1.00 44.23 H new ATOM 1147 N GLN A 73 5.502 -2.081 12.699 1.00 42.24 N ATOM 1148 CA GLN A 73 4.424 -1.939 13.670 1.00 23.24 C ATOM 1149 C GLN A 73 3.616 -0.673 13.406 1.00 30.22 C ATOM 1150 O GLN A 73 3.105 -0.046 14.333 1.00 2.01 O ATOM 1151 CB GLN A 73 4.991 -1.910 15.091 1.00 14.31 C ATOM 1152 CG GLN A 73 3.941 -2.129 16.169 1.00 43.41 C ATOM 1153 CD GLN A 73 3.641 -0.868 16.955 1.00 14.13 C ATOM 1154 OE1 GLN A 73 4.536 -0.262 17.545 1.00 51.44 O ATOM 1155 NE2 GLN A 73 2.375 -0.466 16.969 1.00 42.35 N ATOM 0 H GLN A 73 5.506 -2.970 12.199 1.00 42.24 H new ATOM 0 HA GLN A 73 3.761 -2.798 13.568 1.00 23.24 H new ATOM 0 HB2 GLN A 73 5.759 -2.678 15.183 1.00 14.31 H new ATOM 0 HB3 GLN A 73 5.478 -0.950 15.260 1.00 14.31 H new ATOM 0 HG2 GLN A 73 3.023 -2.493 15.708 1.00 43.41 H new ATOM 0 HG3 GLN A 73 4.284 -2.906 16.852 1.00 43.41 H new ATOM 0 HE21 GLN A 73 1.665 -0.999 16.466 1.00 42.35 H new ATOM 0 HE22 GLN A 73 2.113 0.375 17.483 1.00 42.35 H new ATOM 1164 N GLY A 74 3.505 -0.303 12.134 1.00 15.40 N ATOM 1165 CA GLY A 74 2.757 0.887 11.771 1.00 45.42 C ATOM 1166 C GLY A 74 3.642 2.112 11.648 1.00 11.31 C ATOM 1167 O GLY A 74 3.229 3.130 11.094 1.00 13.43 O ATOM 0 H GLY A 74 3.919 -0.805 11.349 1.00 15.40 H new ATOM 0 HA2 GLY A 74 2.245 0.716 10.824 1.00 45.42 H new ATOM 0 HA3 GLY A 74 1.988 1.072 12.521 1.00 45.42 H new ATOM 1171 N GLU A 75 4.862 2.014 12.168 1.00 53.14 N ATOM 1172 CA GLU A 75 5.805 3.125 12.115 1.00 21.32 C ATOM 1173 C GLU A 75 6.062 3.553 10.673 1.00 13.12 C ATOM 1174 O GLU A 75 6.393 4.708 10.407 1.00 20.03 O ATOM 1175 CB GLU A 75 7.124 2.734 12.785 1.00 2.42 C ATOM 1176 CG GLU A 75 7.952 3.925 13.239 1.00 63.15 C ATOM 1177 CD GLU A 75 8.790 3.620 14.465 1.00 33.13 C ATOM 1178 OE1 GLU A 75 8.202 3.298 15.519 1.00 13.12 O ATOM 1179 OE2 GLU A 75 10.032 3.703 14.372 1.00 1.11 O ATOM 0 H GLU A 75 5.220 1.178 12.630 1.00 53.14 H new ATOM 0 HA GLU A 75 5.367 3.966 12.652 1.00 21.32 H new ATOM 0 HB2 GLU A 75 6.911 2.101 13.646 1.00 2.42 H new ATOM 0 HB3 GLU A 75 7.713 2.137 12.089 1.00 2.42 H new ATOM 0 HG2 GLU A 75 8.606 4.239 12.426 1.00 63.15 H new ATOM 0 HG3 GLU A 75 7.289 4.762 13.456 1.00 63.15 H new ATOM 1186 N ALA A 76 5.906 2.613 9.746 1.00 4.34 N ATOM 1187 CA ALA A 76 6.119 2.893 8.332 1.00 65.32 C ATOM 1188 C ALA A 76 5.115 3.918 7.817 1.00 12.04 C ATOM 1189 O ALA A 76 5.290 4.486 6.739 1.00 1.03 O ATOM 1190 CB ALA A 76 6.028 1.609 7.521 1.00 65.34 C ATOM 0 H ALA A 76 5.633 1.651 9.949 1.00 4.34 H new ATOM 0 HA ALA A 76 7.118 3.313 8.217 1.00 65.32 H new ATOM 0 HB1 ALA A 76 6.189 1.833 6.466 1.00 65.34 H new ATOM 0 HB2 ALA A 76 6.789 0.908 7.864 1.00 65.34 H new ATOM 0 HB3 ALA A 76 5.041 1.166 7.651 1.00 65.34 H new ATOM 1196 N ARG A 77 4.062 4.150 8.595 1.00 70.43 N ATOM 1197 CA ARG A 77 3.028 5.105 8.216 1.00 2.30 C ATOM 1198 C ARG A 77 3.587 6.525 8.181 1.00 71.15 C ATOM 1199 O ARG A 77 3.026 7.407 7.531 1.00 63.00 O ATOM 1200 CB ARG A 77 1.854 5.032 9.193 1.00 14.44 C ATOM 1201 CG ARG A 77 0.969 3.813 8.992 1.00 13.12 C ATOM 1202 CD ARG A 77 -0.449 4.210 8.610 1.00 5.30 C ATOM 1203 NE ARG A 77 -1.255 4.552 9.779 1.00 51.45 N ATOM 1204 CZ ARG A 77 -2.399 5.225 9.711 1.00 45.11 C ATOM 1205 NH1 ARG A 77 -2.868 5.625 8.537 1.00 4.32 N ATOM 1206 NH2 ARG A 77 -3.076 5.498 10.819 1.00 45.21 N ATOM 0 H ARG A 77 3.903 3.690 9.491 1.00 70.43 H new ATOM 0 HA ARG A 77 2.677 4.846 7.217 1.00 2.30 H new ATOM 0 HB2 ARG A 77 2.240 5.026 10.212 1.00 14.44 H new ATOM 0 HB3 ARG A 77 1.248 5.932 9.087 1.00 14.44 H new ATOM 0 HG2 ARG A 77 1.393 3.179 8.213 1.00 13.12 H new ATOM 0 HG3 ARG A 77 0.948 3.222 9.908 1.00 13.12 H new ATOM 0 HD2 ARG A 77 -0.416 5.062 7.930 1.00 5.30 H new ATOM 0 HD3 ARG A 77 -0.922 3.390 8.071 1.00 5.30 H new ATOM 0 HE ARG A 77 -0.922 4.258 10.697 1.00 51.45 H new ATOM 0 HH11 ARG A 77 -2.351 5.416 7.683 1.00 4.32 H new ATOM 0 HH12 ARG A 77 -3.746 6.141 8.488 1.00 4.32 H new ATOM 0 HH21 ARG A 77 -2.718 5.191 11.724 1.00 45.21 H new ATOM 0 HH22 ARG A 77 -3.954 6.015 10.766 1.00 45.21 H new ATOM 1220 N ALA A 78 4.694 6.737 8.884 1.00 44.12 N ATOM 1221 CA ALA A 78 5.330 8.048 8.931 1.00 15.24 C ATOM 1222 C ALA A 78 6.337 8.212 7.799 1.00 61.35 C ATOM 1223 O ALA A 78 6.179 9.074 6.934 1.00 61.32 O ATOM 1224 CB ALA A 78 6.007 8.258 10.277 1.00 23.35 C ATOM 0 H ALA A 78 5.169 6.018 9.429 1.00 44.12 H new ATOM 0 HA ALA A 78 4.555 8.804 8.804 1.00 15.24 H new ATOM 0 HB1 ALA A 78 6.478 9.241 10.298 1.00 23.35 H new ATOM 0 HB2 ALA A 78 5.264 8.194 11.072 1.00 23.35 H new ATOM 0 HB3 ALA A 78 6.765 7.489 10.427 1.00 23.35 H new ATOM 1230 N TYR A 79 7.373 7.380 7.810 1.00 74.24 N ATOM 1231 CA TYR A 79 8.408 7.435 6.785 1.00 70.45 C ATOM 1232 C TYR A 79 7.824 7.149 5.404 1.00 31.24 C ATOM 1233 O TYR A 79 8.240 7.739 4.407 1.00 11.05 O ATOM 1234 CB TYR A 79 9.519 6.431 7.098 1.00 2.31 C ATOM 1235 CG TYR A 79 9.723 5.395 6.016 1.00 55.22 C ATOM 1236 CD1 TYR A 79 10.486 5.679 4.890 1.00 55.13 C ATOM 1237 CD2 TYR A 79 9.151 4.133 6.119 1.00 62.14 C ATOM 1238 CE1 TYR A 79 10.674 4.736 3.898 1.00 54.01 C ATOM 1239 CE2 TYR A 79 9.335 3.183 5.132 1.00 2.25 C ATOM 1240 CZ TYR A 79 10.097 3.489 4.024 1.00 11.41 C ATOM 1241 OH TYR A 79 10.281 2.547 3.039 1.00 63.40 O ATOM 0 H TYR A 79 7.518 6.660 8.518 1.00 74.24 H new ATOM 0 HA TYR A 79 8.826 8.441 6.782 1.00 70.45 H new ATOM 0 HB2 TYR A 79 10.453 6.972 7.252 1.00 2.31 H new ATOM 0 HB3 TYR A 79 9.286 5.925 8.035 1.00 2.31 H new ATOM 0 HD1 TYR A 79 10.940 6.654 4.789 1.00 55.13 H new ATOM 0 HD2 TYR A 79 8.553 3.890 6.985 1.00 62.14 H new ATOM 0 HE1 TYR A 79 11.269 4.974 3.029 1.00 54.01 H new ATOM 0 HE2 TYR A 79 8.884 2.206 5.228 1.00 2.25 H new ATOM 0 HH TYR A 79 9.809 1.723 3.282 1.00 63.40 H new ATOM 1251 N SER A 80 6.856 6.239 5.355 1.00 21.05 N ATOM 1252 CA SER A 80 6.215 5.871 4.098 1.00 5.22 C ATOM 1253 C SER A 80 7.231 5.286 3.122 1.00 43.33 C ATOM 1254 O SER A 80 7.439 4.074 3.077 1.00 54.11 O ATOM 1255 CB SER A 80 5.534 7.090 3.473 1.00 35.23 C ATOM 1256 OG SER A 80 4.390 7.472 4.218 1.00 70.01 O ATOM 0 H SER A 80 6.499 5.743 6.171 1.00 21.05 H new ATOM 0 HA SER A 80 5.462 5.112 4.310 1.00 5.22 H new ATOM 0 HB2 SER A 80 6.238 7.921 3.429 1.00 35.23 H new ATOM 0 HB3 SER A 80 5.245 6.863 2.447 1.00 35.23 H new ATOM 0 HG SER A 80 3.973 8.254 3.800 1.00 70.01 H new ATOM 1262 N MET A 81 7.862 6.158 2.341 1.00 72.30 N ATOM 1263 CA MET A 81 8.857 5.728 1.365 1.00 2.55 C ATOM 1264 C MET A 81 10.126 6.567 1.479 1.00 43.02 C ATOM 1265 O MET A 81 10.194 7.505 2.273 1.00 2.22 O ATOM 1266 CB MET A 81 8.290 5.829 -0.052 1.00 1.41 C ATOM 1267 CG MET A 81 7.722 4.520 -0.574 1.00 30.42 C ATOM 1268 SD MET A 81 6.201 4.039 0.266 1.00 75.21 S ATOM 1269 CE MET A 81 5.170 5.468 -0.055 1.00 43.43 C ATOM 0 H MET A 81 7.702 7.165 2.365 1.00 72.30 H new ATOM 0 HA MET A 81 9.109 4.688 1.573 1.00 2.55 H new ATOM 0 HB2 MET A 81 7.507 6.587 -0.068 1.00 1.41 H new ATOM 0 HB3 MET A 81 9.077 6.169 -0.726 1.00 1.41 H new ATOM 0 HG2 MET A 81 7.529 4.613 -1.643 1.00 30.42 H new ATOM 0 HG3 MET A 81 8.465 3.732 -0.452 1.00 30.42 H new ATOM 0 HE1 MET A 81 4.161 5.278 0.310 1.00 43.43 H new ATOM 0 HE2 MET A 81 5.583 6.337 0.457 1.00 43.43 H new ATOM 0 HE3 MET A 81 5.138 5.660 -1.127 1.00 43.43 H new ATOM 1279 N LYS A 82 11.131 6.223 0.680 1.00 53.12 N ATOM 1280 CA LYS A 82 12.398 6.944 0.689 1.00 11.21 C ATOM 1281 C LYS A 82 12.373 8.101 -0.305 1.00 60.21 C ATOM 1282 O LYS A 82 12.199 7.895 -1.506 1.00 23.23 O ATOM 1283 CB LYS A 82 13.551 5.995 0.355 1.00 51.12 C ATOM 1284 CG LYS A 82 14.916 6.660 0.389 1.00 11.42 C ATOM 1285 CD LYS A 82 15.810 6.045 1.453 1.00 75.11 C ATOM 1286 CE LYS A 82 17.255 6.489 1.291 1.00 3.04 C ATOM 1287 NZ LYS A 82 18.162 5.780 2.236 1.00 1.34 N ATOM 0 H LYS A 82 11.092 5.448 0.018 1.00 53.12 H new ATOM 0 HA LYS A 82 12.549 7.351 1.689 1.00 11.21 H new ATOM 0 HB2 LYS A 82 13.543 5.165 1.061 1.00 51.12 H new ATOM 0 HB3 LYS A 82 13.387 5.572 -0.636 1.00 51.12 H new ATOM 0 HG2 LYS A 82 15.392 6.565 -0.587 1.00 11.42 H new ATOM 0 HG3 LYS A 82 14.798 7.726 0.584 1.00 11.42 H new ATOM 0 HD2 LYS A 82 15.449 6.329 2.442 1.00 75.11 H new ATOM 0 HD3 LYS A 82 15.753 4.958 1.394 1.00 75.11 H new ATOM 0 HE2 LYS A 82 17.580 6.303 0.267 1.00 3.04 H new ATOM 0 HE3 LYS A 82 17.326 7.564 1.457 1.00 3.04 H new ATOM 0 HZ1 LYS A 82 19.138 6.110 2.094 1.00 1.34 H new ATOM 0 HZ2 LYS A 82 17.868 5.978 3.214 1.00 1.34 H new ATOM 0 HZ3 LYS A 82 18.114 4.756 2.061 1.00 1.34 H new ATOM 1301 N GLU A 83 12.549 9.316 0.203 1.00 3.45 N ATOM 1302 CA GLU A 83 12.548 10.505 -0.642 1.00 34.25 C ATOM 1303 C GLU A 83 13.703 10.466 -1.638 1.00 31.33 C ATOM 1304 O GLU A 83 13.578 10.936 -2.769 1.00 35.23 O ATOM 1305 CB GLU A 83 12.642 11.768 0.217 1.00 43.03 C ATOM 1306 CG GLU A 83 11.310 12.209 0.800 1.00 63.10 C ATOM 1307 CD GLU A 83 11.471 13.200 1.937 1.00 75.43 C ATOM 1308 OE1 GLU A 83 12.304 14.120 1.809 1.00 40.51 O ATOM 1309 OE2 GLU A 83 10.761 13.053 2.954 1.00 5.55 O ATOM 0 H GLU A 83 12.694 9.504 1.195 1.00 3.45 H new ATOM 0 HA GLU A 83 11.612 10.523 -1.200 1.00 34.25 H new ATOM 0 HB2 GLU A 83 13.345 11.592 1.031 1.00 43.03 H new ATOM 0 HB3 GLU A 83 13.051 12.578 -0.387 1.00 43.03 H new ATOM 0 HG2 GLU A 83 10.704 12.659 0.013 1.00 63.10 H new ATOM 0 HG3 GLU A 83 10.767 11.335 1.159 1.00 63.10 H new ATOM 1316 N ASP A 84 14.827 9.903 -1.209 1.00 20.31 N ATOM 1317 CA ASP A 84 16.005 9.801 -2.062 1.00 43.23 C ATOM 1318 C ASP A 84 15.684 9.039 -3.344 1.00 31.20 C ATOM 1319 O ASP A 84 16.202 9.356 -4.415 1.00 43.11 O ATOM 1320 CB ASP A 84 17.145 9.108 -1.314 1.00 41.21 C ATOM 1321 CG ASP A 84 18.365 9.996 -1.166 1.00 12.30 C ATOM 1322 OD1 ASP A 84 18.254 11.051 -0.506 1.00 72.34 O ATOM 1323 OD2 ASP A 84 19.430 9.638 -1.710 1.00 61.54 O ATOM 0 H ASP A 84 14.947 9.510 -0.275 1.00 20.31 H new ATOM 0 HA ASP A 84 16.317 10.811 -2.329 1.00 43.23 H new ATOM 0 HB2 ASP A 84 16.797 8.806 -0.326 1.00 41.21 H new ATOM 0 HB3 ASP A 84 17.424 8.198 -1.845 1.00 41.21 H new ATOM 1328 N THR A 85 14.826 8.030 -3.227 1.00 53.23 N ATOM 1329 CA THR A 85 14.437 7.221 -4.375 1.00 72.13 C ATOM 1330 C THR A 85 12.993 7.497 -4.779 1.00 32.34 C ATOM 1331 O THR A 85 12.433 6.806 -5.630 1.00 64.40 O ATOM 1332 CB THR A 85 14.598 5.717 -4.083 1.00 50.20 C ATOM 1333 OG1 THR A 85 14.487 5.477 -2.676 1.00 20.03 O ATOM 1334 CG2 THR A 85 15.941 5.209 -4.585 1.00 2.20 C ATOM 0 H THR A 85 14.387 7.754 -2.348 1.00 53.23 H new ATOM 0 HA THR A 85 15.100 7.497 -5.195 1.00 72.13 H new ATOM 0 HB THR A 85 13.806 5.181 -4.606 1.00 50.20 H new ATOM 0 HG1 THR A 85 14.589 4.519 -2.499 1.00 20.03 H new ATOM 0 HG21 THR A 85 16.032 4.145 -4.368 1.00 2.20 H new ATOM 0 HG22 THR A 85 16.010 5.367 -5.661 1.00 2.20 H new ATOM 0 HG23 THR A 85 16.745 5.751 -4.086 1.00 2.20 H new ATOM 1342 N ARG A 86 12.395 8.511 -4.162 1.00 53.04 N ATOM 1343 CA ARG A 86 11.015 8.878 -4.457 1.00 72.45 C ATOM 1344 C ARG A 86 10.919 9.599 -5.799 1.00 33.52 C ATOM 1345 O ARG A 86 11.592 10.605 -6.025 1.00 25.32 O ATOM 1346 CB ARG A 86 10.452 9.767 -3.347 1.00 23.20 C ATOM 1347 CG ARG A 86 8.964 10.044 -3.484 1.00 1.02 C ATOM 1348 CD ARG A 86 8.401 10.696 -2.230 1.00 64.05 C ATOM 1349 NE ARG A 86 7.750 11.970 -2.522 1.00 2.34 N ATOM 1350 CZ ARG A 86 7.537 12.912 -1.609 1.00 73.13 C ATOM 1351 NH1 ARG A 86 7.921 12.723 -0.354 1.00 41.15 N ATOM 1352 NH2 ARG A 86 6.938 14.045 -1.951 1.00 52.45 N ATOM 0 H ARG A 86 12.844 9.093 -3.455 1.00 53.04 H new ATOM 0 HA ARG A 86 10.426 7.962 -4.513 1.00 72.45 H new ATOM 0 HB2 ARG A 86 10.637 9.292 -2.384 1.00 23.20 H new ATOM 0 HB3 ARG A 86 10.991 10.715 -3.344 1.00 23.20 H new ATOM 0 HG2 ARG A 86 8.791 10.694 -4.342 1.00 1.02 H new ATOM 0 HG3 ARG A 86 8.435 9.111 -3.679 1.00 1.02 H new ATOM 0 HD2 ARG A 86 7.684 10.022 -1.761 1.00 64.05 H new ATOM 0 HD3 ARG A 86 9.205 10.856 -1.512 1.00 64.05 H new ATOM 0 HE ARG A 86 7.442 12.146 -3.478 1.00 2.34 H new ATOM 0 HH11 ARG A 86 8.381 11.853 -0.087 1.00 41.15 H new ATOM 0 HH12 ARG A 86 7.756 13.448 0.344 1.00 41.15 H new ATOM 0 HH21 ARG A 86 6.640 14.194 -2.915 1.00 52.45 H new ATOM 0 HH22 ARG A 86 6.775 14.767 -1.250 1.00 52.45 H new ATOM 1366 N LEU A 87 10.078 9.078 -6.686 1.00 20.54 N ATOM 1367 CA LEU A 87 9.894 9.671 -8.006 1.00 32.34 C ATOM 1368 C LEU A 87 8.677 10.590 -8.024 1.00 41.43 C ATOM 1369 O LEU A 87 8.789 11.777 -8.329 1.00 45.20 O ATOM 1370 CB LEU A 87 9.735 8.575 -9.061 1.00 44.12 C ATOM 1371 CG LEU A 87 10.674 8.663 -10.266 1.00 34.45 C ATOM 1372 CD1 LEU A 87 10.260 7.667 -11.338 1.00 53.21 C ATOM 1373 CD2 LEU A 87 10.691 10.077 -10.826 1.00 40.22 C ATOM 0 H LEU A 87 9.513 8.246 -6.515 1.00 20.54 H new ATOM 0 HA LEU A 87 10.778 10.264 -8.238 1.00 32.34 H new ATOM 0 HB2 LEU A 87 9.885 7.609 -8.578 1.00 44.12 H new ATOM 0 HB3 LEU A 87 8.707 8.594 -9.424 1.00 44.12 H new ATOM 0 HG LEU A 87 11.682 8.413 -9.937 1.00 34.45 H new ATOM 0 HD11 LEU A 87 10.939 7.744 -12.187 1.00 53.21 H new ATOM 0 HD12 LEU A 87 10.301 6.657 -10.931 1.00 53.21 H new ATOM 0 HD13 LEU A 87 9.244 7.886 -11.665 1.00 53.21 H new ATOM 0 HD21 LEU A 87 11.364 10.121 -11.682 1.00 40.22 H new ATOM 0 HD22 LEU A 87 9.685 10.356 -11.140 1.00 40.22 H new ATOM 0 HD23 LEU A 87 11.036 10.769 -10.057 1.00 40.22 H new ATOM 1385 N GLU A 88 7.516 10.034 -7.694 1.00 73.23 N ATOM 1386 CA GLU A 88 6.279 10.805 -7.672 1.00 14.41 C ATOM 1387 C GLU A 88 5.544 10.618 -6.347 1.00 45.23 C ATOM 1388 O GLU A 88 5.955 9.821 -5.505 1.00 75.42 O ATOM 1389 CB GLU A 88 5.372 10.391 -8.833 1.00 42.30 C ATOM 1390 CG GLU A 88 4.742 11.566 -9.563 1.00 5.15 C ATOM 1391 CD GLU A 88 5.738 12.321 -10.422 1.00 61.51 C ATOM 1392 OE1 GLU A 88 6.460 11.669 -11.205 1.00 62.02 O ATOM 1393 OE2 GLU A 88 5.795 13.563 -10.311 1.00 54.34 O ATOM 0 H GLU A 88 7.406 9.053 -7.438 1.00 73.23 H new ATOM 0 HA GLU A 88 6.537 11.859 -7.780 1.00 14.41 H new ATOM 0 HB2 GLU A 88 5.952 9.801 -9.543 1.00 42.30 H new ATOM 0 HB3 GLU A 88 4.581 9.744 -8.452 1.00 42.30 H new ATOM 0 HG2 GLU A 88 3.927 11.205 -10.190 1.00 5.15 H new ATOM 0 HG3 GLU A 88 4.305 12.249 -8.835 1.00 5.15 H new ATOM 1400 N GLY A 89 4.456 11.361 -6.171 1.00 33.34 N ATOM 1401 CA GLY A 89 3.682 11.263 -4.947 1.00 33.01 C ATOM 1402 C GLY A 89 4.099 12.290 -3.913 1.00 64.11 C ATOM 1403 O GLY A 89 4.858 13.216 -4.199 1.00 4.35 O ATOM 0 H GLY A 89 4.097 12.029 -6.853 1.00 33.34 H new ATOM 0 HA2 GLY A 89 2.625 11.393 -5.178 1.00 33.01 H new ATOM 0 HA3 GLY A 89 3.796 10.263 -4.528 1.00 33.01 H new ATOM 1407 N PRO A 90 3.596 12.132 -2.680 1.00 3.22 N ATOM 1408 CA PRO A 90 2.691 11.034 -2.329 1.00 23.25 C ATOM 1409 C PRO A 90 1.319 11.184 -2.975 1.00 54.34 C ATOM 1410 O PRO A 90 1.010 12.220 -3.564 1.00 11.41 O ATOM 1411 CB PRO A 90 2.579 11.140 -0.806 1.00 22.34 C ATOM 1412 CG PRO A 90 2.871 12.569 -0.503 1.00 25.33 C ATOM 1413 CD PRO A 90 3.872 13.014 -1.533 1.00 52.33 C ATOM 0 HA PRO A 90 3.065 10.071 -2.677 1.00 23.25 H new ATOM 0 HB2 PRO A 90 1.584 10.858 -0.462 1.00 22.34 H new ATOM 0 HB3 PRO A 90 3.288 10.477 -0.310 1.00 22.34 H new ATOM 0 HG2 PRO A 90 1.964 13.172 -0.554 1.00 25.33 H new ATOM 0 HG3 PRO A 90 3.272 12.680 0.504 1.00 25.33 H new ATOM 0 HD2 PRO A 90 3.741 14.064 -1.793 1.00 52.33 H new ATOM 0 HD3 PRO A 90 4.895 12.899 -1.175 1.00 52.33 H new ATOM 1421 N TRP A 91 0.499 10.145 -2.862 1.00 5.10 N ATOM 1422 CA TRP A 91 -0.841 10.163 -3.436 1.00 72.21 C ATOM 1423 C TRP A 91 -1.843 9.498 -2.499 1.00 74.42 C ATOM 1424 O TRP A 91 -1.571 8.438 -1.937 1.00 23.32 O ATOM 1425 CB TRP A 91 -0.847 9.457 -4.793 1.00 65.00 C ATOM 1426 CG TRP A 91 -0.228 10.271 -5.889 1.00 4.24 C ATOM 1427 CD1 TRP A 91 -0.316 11.624 -6.055 1.00 35.14 C ATOM 1428 CD2 TRP A 91 0.573 9.784 -6.971 1.00 23.13 C ATOM 1429 NE1 TRP A 91 0.381 12.007 -7.175 1.00 30.21 N ATOM 1430 CE2 TRP A 91 0.937 10.897 -7.754 1.00 73.21 C ATOM 1431 CE3 TRP A 91 1.021 8.516 -7.353 1.00 15.41 C ATOM 1432 CZ2 TRP A 91 1.724 10.778 -8.896 1.00 24.51 C ATOM 1433 CZ3 TRP A 91 1.802 8.400 -8.487 1.00 31.34 C ATOM 1434 CH2 TRP A 91 2.148 9.525 -9.247 1.00 22.40 C ATOM 0 H TRP A 91 0.739 9.280 -2.378 1.00 5.10 H new ATOM 0 HA TRP A 91 -1.136 11.203 -3.575 1.00 72.21 H new ATOM 0 HB2 TRP A 91 -0.311 8.512 -4.705 1.00 65.00 H new ATOM 0 HB3 TRP A 91 -1.875 9.217 -5.065 1.00 65.00 H new ATOM 0 HD1 TRP A 91 -0.855 12.294 -5.402 1.00 35.14 H new ATOM 0 HE1 TRP A 91 0.470 12.963 -7.520 1.00 30.21 H new ATOM 0 HE3 TRP A 91 0.761 7.643 -6.772 1.00 15.41 H new ATOM 0 HZ2 TRP A 91 1.991 11.644 -9.484 1.00 24.51 H new ATOM 0 HZ3 TRP A 91 2.152 7.425 -8.793 1.00 31.34 H new ATOM 0 HH2 TRP A 91 2.761 9.401 -10.127 1.00 22.40 H new ATOM 1445 N GLU A 92 -3.003 10.127 -2.337 1.00 31.34 N ATOM 1446 CA GLU A 92 -4.045 9.594 -1.467 1.00 10.14 C ATOM 1447 C GLU A 92 -5.309 9.279 -2.261 1.00 52.32 C ATOM 1448 O GLU A 92 -5.610 9.939 -3.257 1.00 31.44 O ATOM 1449 CB GLU A 92 -4.366 10.590 -0.350 1.00 31.52 C ATOM 1450 CG GLU A 92 -3.185 10.885 0.560 1.00 55.52 C ATOM 1451 CD GLU A 92 -3.586 10.997 2.018 1.00 30.00 C ATOM 1452 OE1 GLU A 92 -4.707 11.475 2.291 1.00 5.52 O ATOM 1453 OE2 GLU A 92 -2.778 10.605 2.886 1.00 11.01 O ATOM 0 H GLU A 92 -3.245 11.005 -2.796 1.00 31.34 H new ATOM 0 HA GLU A 92 -3.675 8.669 -1.025 1.00 10.14 H new ATOM 0 HB2 GLU A 92 -4.713 11.523 -0.795 1.00 31.52 H new ATOM 0 HB3 GLU A 92 -5.187 10.198 0.250 1.00 31.52 H new ATOM 0 HG2 GLU A 92 -2.441 10.096 0.451 1.00 55.52 H new ATOM 0 HG3 GLU A 92 -2.712 11.815 0.245 1.00 55.52 H new ATOM 1460 N TYR A 93 -6.045 8.267 -1.815 1.00 3.33 N ATOM 1461 CA TYR A 93 -7.275 7.862 -2.485 1.00 4.31 C ATOM 1462 C TYR A 93 -8.347 7.477 -1.470 1.00 42.50 C ATOM 1463 O TYR A 93 -8.053 7.242 -0.299 1.00 12.13 O ATOM 1464 CB TYR A 93 -7.004 6.688 -3.427 1.00 42.33 C ATOM 1465 CG TYR A 93 -6.301 7.087 -4.705 1.00 41.21 C ATOM 1466 CD1 TYR A 93 -4.951 7.415 -4.706 1.00 1.34 C ATOM 1467 CD2 TYR A 93 -6.987 7.135 -5.913 1.00 30.05 C ATOM 1468 CE1 TYR A 93 -4.305 7.781 -5.871 1.00 11.14 C ATOM 1469 CE2 TYR A 93 -6.349 7.498 -7.083 1.00 0.22 C ATOM 1470 CZ TYR A 93 -5.008 7.821 -7.057 1.00 32.24 C ATOM 1471 OH TYR A 93 -4.368 8.183 -8.220 1.00 12.34 O ATOM 0 H TYR A 93 -5.811 7.712 -0.992 1.00 3.33 H new ATOM 0 HA TYR A 93 -7.638 8.710 -3.066 1.00 4.31 H new ATOM 0 HB2 TYR A 93 -6.399 5.947 -2.905 1.00 42.33 H new ATOM 0 HB3 TYR A 93 -7.950 6.208 -3.677 1.00 42.33 H new ATOM 0 HD1 TYR A 93 -4.397 7.383 -3.780 1.00 1.34 H new ATOM 0 HD2 TYR A 93 -8.037 6.884 -5.937 1.00 30.05 H new ATOM 0 HE1 TYR A 93 -3.255 8.034 -5.853 1.00 11.14 H new ATOM 0 HE2 TYR A 93 -6.897 7.529 -8.013 1.00 0.22 H new ATOM 0 HH TYR A 93 -3.611 7.581 -8.378 1.00 12.34 H new ATOM 1481 N GLY A 94 -9.593 7.415 -1.930 1.00 2.20 N ATOM 1482 CA GLY A 94 -10.691 7.058 -1.051 1.00 40.11 C ATOM 1483 C GLY A 94 -10.840 8.020 0.111 1.00 61.00 C ATOM 1484 O GLY A 94 -10.652 9.226 -0.046 1.00 32.11 O ATOM 0 H GLY A 94 -9.861 7.606 -2.895 1.00 2.20 H new ATOM 0 HA2 GLY A 94 -11.619 7.038 -1.623 1.00 40.11 H new ATOM 0 HA3 GLY A 94 -10.532 6.051 -0.666 1.00 40.11 H new ATOM 1488 N GLU A 95 -11.180 7.486 1.280 1.00 63.42 N ATOM 1489 CA GLU A 95 -11.356 8.307 2.472 1.00 71.41 C ATOM 1490 C GLU A 95 -12.430 9.367 2.248 1.00 11.30 C ATOM 1491 O GLU A 95 -13.076 9.399 1.201 1.00 43.30 O ATOM 1492 CB GLU A 95 -10.035 8.976 2.857 1.00 32.03 C ATOM 1493 CG GLU A 95 -10.201 10.144 3.815 1.00 54.25 C ATOM 1494 CD GLU A 95 -8.925 10.469 4.566 1.00 41.13 C ATOM 1495 OE1 GLU A 95 -8.073 11.189 4.005 1.00 2.31 O ATOM 1496 OE2 GLU A 95 -8.779 10.003 5.715 1.00 23.31 O ATOM 0 H GLU A 95 -11.339 6.489 1.427 1.00 63.42 H new ATOM 0 HA GLU A 95 -11.676 7.657 3.286 1.00 71.41 H new ATOM 0 HB2 GLU A 95 -9.381 8.233 3.313 1.00 32.03 H new ATOM 0 HB3 GLU A 95 -9.538 9.327 1.953 1.00 32.03 H new ATOM 0 HG2 GLU A 95 -10.524 11.023 3.257 1.00 54.25 H new ATOM 0 HG3 GLU A 95 -10.990 9.913 4.530 1.00 54.25 H new TER 1503 GLU A 95