USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=25 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 31 GLN : amide:sc= -4.66 K(o=-9.5,f=-14!) USER MOD Set 1.2: A 81 MET CE :methyl -142:sc= -4.79! (180deg=-7.5!) USER MOD Set 2.1: A 22 HIS : no HD1:sc= -6.41! C(o=-19!,f=-22!) USER MOD Set 2.2: A 24 SER OG : rot -170:sc= -0.514 USER MOD Set 2.3: A 25 MET CE :methyl -148:sc= -5.08! (180deg=-6.74!) USER MOD Set 2.4: A 48 MET CE :methyl 140:sc= -3.42 (180deg=-1.31) USER MOD Set 2.5: A 57 MET CE :methyl 138:sc= -3.08 (180deg=-4.12!) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 7 CYS SG : rot 180:sc= -0.713 USER MOD Single : A 9 CYS SG : rot -11:sc= 0.37 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.173 X(o=-0.17,f=-0.18) USER MOD Single : A 14 ASN : amide:sc= -0.106 X(o=-0.11,f=-0.33) USER MOD Single : A 17 SER OG : rot 180:sc= -0.117 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 100:sc= -1.71 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -42:sc= 0.181 USER MOD Single : A 34 GLN : amide:sc= -0.137 X(o=-0.14,f=-0.016) USER MOD Single : A 39 ASN : amide:sc= -0.193 X(o=-0.19,f=-0.42) USER MOD Single : A 41 HIS : no HE2:sc= -3.91 K(o=-3.9,f=-4.6!) USER MOD Single : A 43 GLN : amide:sc= -3.74! C(o=-3.7!,f=-3.3!) USER MOD Single : A 45 TYR OH : rot 180:sc= -0.508 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 168:sc= 0.408 (180deg=0.342) USER MOD Single : A 52 THR OG1 : rot -150:sc= -0.33 USER MOD Single : A 53 SER OG : rot 180:sc= 0.0622 USER MOD Single : A 58 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.294) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HD1:sc= -0.0836 X(o=-0.084,f=-0.0043) USER MOD Single : A 68 LYS NZ :NH3+ 160:sc= -0.0867 (180deg=-0.663) USER MOD Single : A 72 THR OG1 : rot -150:sc= -0.192 USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= -0.463 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= -1.04 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -13.532 0.015 17.616 1.00 51.14 N ATOM 2 CA ALA A 2 -12.889 -0.973 18.472 1.00 24.03 C ATOM 3 C ALA A 2 -11.473 -1.276 17.994 1.00 43.32 C ATOM 4 O ALA A 2 -11.272 -2.095 17.097 1.00 33.33 O ATOM 5 CB ALA A 2 -13.716 -2.249 18.520 1.00 62.12 C ATOM 0 HA ALA A 2 -12.824 -0.558 19.478 1.00 24.03 H new ATOM 0 HB1 ALA A 2 -13.223 -2.978 19.163 1.00 62.12 H new ATOM 0 HB2 ALA A 2 -14.706 -2.026 18.917 1.00 62.12 H new ATOM 0 HB3 ALA A 2 -13.812 -2.659 17.514 1.00 62.12 H new ATOM 11 N ARG A 3 -10.494 -0.609 18.597 1.00 50.44 N ATOM 12 CA ARG A 3 -9.097 -0.805 18.230 1.00 23.20 C ATOM 13 C ARG A 3 -8.854 -0.402 16.779 1.00 64.35 C ATOM 14 O ARG A 3 -9.796 -0.240 16.004 1.00 70.11 O ATOM 15 CB ARG A 3 -8.693 -2.266 18.440 1.00 40.25 C ATOM 16 CG ARG A 3 -7.445 -2.437 19.291 1.00 53.24 C ATOM 17 CD ARG A 3 -7.791 -2.575 20.765 1.00 53.21 C ATOM 18 NE ARG A 3 -8.068 -1.282 21.386 1.00 74.25 N ATOM 19 CZ ARG A 3 -8.648 -1.146 22.573 1.00 22.31 C ATOM 20 NH1 ARG A 3 -9.009 -2.218 23.265 1.00 60.22 N ATOM 21 NH2 ARG A 3 -8.867 0.064 23.071 1.00 24.03 N ATOM 0 H ARG A 3 -10.643 0.072 19.342 1.00 50.44 H new ATOM 0 HA ARG A 3 -8.486 -0.170 18.872 1.00 23.20 H new ATOM 0 HB2 ARG A 3 -9.519 -2.798 18.911 1.00 40.25 H new ATOM 0 HB3 ARG A 3 -8.526 -2.731 17.468 1.00 40.25 H new ATOM 0 HG2 ARG A 3 -6.896 -3.319 18.961 1.00 53.24 H new ATOM 0 HG3 ARG A 3 -6.786 -1.580 19.149 1.00 53.24 H new ATOM 0 HD2 ARG A 3 -8.661 -3.223 20.874 1.00 53.21 H new ATOM 0 HD3 ARG A 3 -6.966 -3.059 21.287 1.00 53.21 H new ATOM 0 HE ARG A 3 -7.801 -0.437 20.880 1.00 74.25 H new ATOM 0 HH11 ARG A 3 -8.841 -3.150 22.886 1.00 60.22 H new ATOM 0 HH12 ARG A 3 -9.454 -2.111 24.176 1.00 60.22 H new ATOM 0 HH21 ARG A 3 -8.590 0.891 22.542 1.00 24.03 H new ATOM 0 HH22 ARG A 3 -9.313 0.167 23.983 1.00 24.03 H new ATOM 35 N GLN A 4 -7.584 -0.242 16.419 1.00 71.42 N ATOM 36 CA GLN A 4 -7.218 0.143 15.061 1.00 71.30 C ATOM 37 C GLN A 4 -6.555 -1.018 14.326 1.00 11.41 C ATOM 38 O GLN A 4 -6.036 -1.945 14.948 1.00 11.41 O ATOM 39 CB GLN A 4 -6.278 1.349 15.086 1.00 15.52 C ATOM 40 CG GLN A 4 -6.953 2.654 14.695 1.00 13.34 C ATOM 41 CD GLN A 4 -5.979 3.813 14.611 1.00 71.21 C ATOM 42 OE1 GLN A 4 -4.975 3.744 13.902 1.00 40.04 O ATOM 43 NE2 GLN A 4 -6.271 4.886 15.336 1.00 51.20 N ATOM 0 H GLN A 4 -6.792 -0.373 17.048 1.00 71.42 H new ATOM 0 HA GLN A 4 -8.130 0.413 14.529 1.00 71.30 H new ATOM 0 HB2 GLN A 4 -5.859 1.452 16.087 1.00 15.52 H new ATOM 0 HB3 GLN A 4 -5.444 1.164 14.409 1.00 15.52 H new ATOM 0 HG2 GLN A 4 -7.447 2.529 13.731 1.00 13.34 H new ATOM 0 HG3 GLN A 4 -7.730 2.889 15.423 1.00 13.34 H new ATOM 0 HE21 GLN A 4 -7.114 4.900 15.910 1.00 51.20 H new ATOM 0 HE22 GLN A 4 -5.652 5.697 15.319 1.00 51.20 H new ATOM 52 N VAL A 5 -6.576 -0.960 12.998 1.00 33.22 N ATOM 53 CA VAL A 5 -5.977 -2.006 12.178 1.00 3.01 C ATOM 54 C VAL A 5 -4.612 -1.576 11.651 1.00 73.32 C ATOM 55 O VAL A 5 -4.312 -0.384 11.576 1.00 70.53 O ATOM 56 CB VAL A 5 -6.882 -2.374 10.988 1.00 72.22 C ATOM 57 CG1 VAL A 5 -8.247 -2.835 11.477 1.00 2.42 C ATOM 58 CG2 VAL A 5 -7.018 -1.194 10.037 1.00 23.51 C ATOM 0 H VAL A 5 -7.001 -0.200 12.467 1.00 33.22 H new ATOM 0 HA VAL A 5 -5.858 -2.881 12.817 1.00 3.01 H new ATOM 0 HB VAL A 5 -6.420 -3.198 10.444 1.00 72.22 H new ATOM 0 HG11 VAL A 5 -8.873 -3.091 10.622 1.00 2.42 H new ATOM 0 HG12 VAL A 5 -8.128 -3.711 12.115 1.00 2.42 H new ATOM 0 HG13 VAL A 5 -8.719 -2.034 12.045 1.00 2.42 H new ATOM 0 HG21 VAL A 5 -7.661 -1.472 9.202 1.00 23.51 H new ATOM 0 HG22 VAL A 5 -7.457 -0.348 10.567 1.00 23.51 H new ATOM 0 HG23 VAL A 5 -6.034 -0.915 9.660 1.00 23.51 H new ATOM 68 N ILE A 6 -3.790 -2.554 11.286 1.00 32.53 N ATOM 69 CA ILE A 6 -2.458 -2.277 10.764 1.00 20.20 C ATOM 70 C ILE A 6 -2.494 -2.055 9.256 1.00 50.21 C ATOM 71 O ILE A 6 -3.339 -2.614 8.556 1.00 62.33 O ATOM 72 CB ILE A 6 -1.480 -3.424 11.079 1.00 23.23 C ATOM 73 CG1 ILE A 6 -1.522 -3.764 12.570 1.00 21.34 C ATOM 74 CG2 ILE A 6 -0.068 -3.047 10.656 1.00 22.41 C ATOM 75 CD1 ILE A 6 -2.561 -4.805 12.924 1.00 53.04 C ATOM 0 H ILE A 6 -4.023 -3.545 11.342 1.00 32.53 H new ATOM 0 HA ILE A 6 -2.110 -1.368 11.255 1.00 20.20 H new ATOM 0 HB ILE A 6 -1.784 -4.306 10.516 1.00 23.23 H new ATOM 0 HG12 ILE A 6 -0.540 -4.122 12.880 1.00 21.34 H new ATOM 0 HG13 ILE A 6 -1.723 -2.855 13.136 1.00 21.34 H new ATOM 0 HG21 ILE A 6 0.612 -3.868 10.885 1.00 22.41 H new ATOM 0 HG22 ILE A 6 -0.050 -2.849 9.584 1.00 22.41 H new ATOM 0 HG23 ILE A 6 0.247 -2.154 11.195 1.00 22.41 H new ATOM 0 HD11 ILE A 6 -2.534 -4.996 13.997 1.00 53.04 H new ATOM 0 HD12 ILE A 6 -3.550 -4.441 12.645 1.00 53.04 H new ATOM 0 HD13 ILE A 6 -2.349 -5.729 12.385 1.00 53.04 H new ATOM 87 N CYS A 7 -1.572 -1.236 8.762 1.00 24.50 N ATOM 88 CA CYS A 7 -1.497 -0.941 7.336 1.00 43.43 C ATOM 89 C CYS A 7 -0.843 -2.090 6.576 1.00 43.14 C ATOM 90 O CYS A 7 -0.088 -2.876 7.148 1.00 2.43 O ATOM 91 CB CYS A 7 -0.714 0.352 7.102 1.00 4.23 C ATOM 92 SG CYS A 7 1.077 0.172 7.277 1.00 41.32 S ATOM 0 H CYS A 7 -0.866 -0.765 9.328 1.00 24.50 H new ATOM 0 HA CYS A 7 -2.513 -0.815 6.963 1.00 43.43 H new ATOM 0 HB2 CYS A 7 -0.935 0.722 6.101 1.00 4.23 H new ATOM 0 HB3 CYS A 7 -1.063 1.108 7.806 1.00 4.23 H new ATOM 0 HG CYS A 7 1.652 1.317 7.058 1.00 41.32 H new ATOM 98 N TRP A 8 -1.139 -2.182 5.284 1.00 20.34 N ATOM 99 CA TRP A 8 -0.581 -3.237 4.446 1.00 61.30 C ATOM 100 C TRP A 8 0.490 -2.682 3.514 1.00 61.35 C ATOM 101 O TRP A 8 0.199 -1.874 2.631 1.00 63.12 O ATOM 102 CB TRP A 8 -1.687 -3.908 3.630 1.00 15.41 C ATOM 103 CG TRP A 8 -2.652 -4.691 4.468 1.00 23.42 C ATOM 104 CD1 TRP A 8 -3.518 -4.196 5.400 1.00 12.12 C ATOM 105 CD2 TRP A 8 -2.845 -6.110 4.451 1.00 13.14 C ATOM 106 NE1 TRP A 8 -4.239 -5.221 5.964 1.00 61.11 N ATOM 107 CE2 TRP A 8 -3.846 -6.405 5.398 1.00 4.04 C ATOM 108 CE3 TRP A 8 -2.273 -7.159 3.727 1.00 21.03 C ATOM 109 CZ2 TRP A 8 -4.282 -7.705 5.639 1.00 53.03 C ATOM 110 CZ3 TRP A 8 -2.707 -8.449 3.967 1.00 13.32 C ATOM 111 CH2 TRP A 8 -3.704 -8.713 4.916 1.00 55.24 C ATOM 0 H TRP A 8 -1.762 -1.539 4.795 1.00 20.34 H new ATOM 0 HA TRP A 8 -0.120 -3.979 5.098 1.00 61.30 H new ATOM 0 HB2 TRP A 8 -2.234 -3.145 3.076 1.00 15.41 H new ATOM 0 HB3 TRP A 8 -1.234 -4.572 2.894 1.00 15.41 H new ATOM 0 HD1 TRP A 8 -3.621 -3.152 5.656 1.00 12.12 H new ATOM 0 HE1 TRP A 8 -4.951 -5.117 6.687 1.00 61.11 H new ATOM 0 HE3 TRP A 8 -1.505 -6.965 2.993 1.00 21.03 H new ATOM 0 HZ2 TRP A 8 -5.049 -7.911 6.371 1.00 53.03 H new ATOM 0 HZ3 TRP A 8 -2.270 -9.267 3.414 1.00 13.32 H new ATOM 0 HH2 TRP A 8 -4.022 -9.732 5.080 1.00 55.24 H new ATOM 122 N CYS A 9 1.728 -3.120 3.714 1.00 31.43 N ATOM 123 CA CYS A 9 2.843 -2.666 2.891 1.00 72.12 C ATOM 124 C CYS A 9 3.138 -3.665 1.776 1.00 14.51 C ATOM 125 O CYS A 9 3.446 -4.828 2.036 1.00 51.11 O ATOM 126 CB CYS A 9 4.090 -2.462 3.752 1.00 50.30 C ATOM 127 SG CYS A 9 4.566 -3.914 4.718 1.00 62.11 S ATOM 0 H CYS A 9 1.985 -3.789 4.439 1.00 31.43 H new ATOM 0 HA CYS A 9 2.564 -1.715 2.438 1.00 72.12 H new ATOM 0 HB2 CYS A 9 4.922 -2.180 3.107 1.00 50.30 H new ATOM 0 HB3 CYS A 9 3.917 -1.628 4.432 1.00 50.30 H new ATOM 0 HG CYS A 9 3.608 -4.792 4.682 1.00 62.11 H new ATOM 133 N PHE A 10 3.039 -3.203 0.534 1.00 44.31 N ATOM 134 CA PHE A 10 3.293 -4.056 -0.621 1.00 52.12 C ATOM 135 C PHE A 10 4.154 -3.333 -1.653 1.00 22.13 C ATOM 136 O PHE A 10 4.304 -2.111 -1.608 1.00 74.43 O ATOM 137 CB PHE A 10 1.972 -4.492 -1.259 1.00 22.51 C ATOM 138 CG PHE A 10 1.423 -3.498 -2.241 1.00 42.24 C ATOM 139 CD1 PHE A 10 0.714 -2.391 -1.804 1.00 0.13 C ATOM 140 CD2 PHE A 10 1.617 -3.669 -3.603 1.00 32.44 C ATOM 141 CE1 PHE A 10 0.207 -1.475 -2.706 1.00 2.32 C ATOM 142 CE2 PHE A 10 1.113 -2.756 -4.509 1.00 73.25 C ATOM 143 CZ PHE A 10 0.408 -1.657 -4.060 1.00 52.22 C ATOM 0 H PHE A 10 2.785 -2.243 0.302 1.00 44.31 H new ATOM 0 HA PHE A 10 3.833 -4.939 -0.278 1.00 52.12 H new ATOM 0 HB2 PHE A 10 2.120 -5.446 -1.765 1.00 22.51 H new ATOM 0 HB3 PHE A 10 1.236 -4.658 -0.473 1.00 22.51 H new ATOM 0 HD1 PHE A 10 0.556 -2.242 -0.746 1.00 0.13 H new ATOM 0 HD2 PHE A 10 2.169 -4.526 -3.960 1.00 32.44 H new ATOM 0 HE1 PHE A 10 -0.346 -0.617 -2.352 1.00 2.32 H new ATOM 0 HE2 PHE A 10 1.270 -2.902 -5.568 1.00 73.25 H new ATOM 0 HZ PHE A 10 0.015 -0.941 -4.766 1.00 52.22 H new ATOM 153 N THR A 11 4.720 -4.097 -2.582 1.00 4.01 N ATOM 154 CA THR A 11 5.568 -3.532 -3.624 1.00 4.54 C ATOM 155 C THR A 11 5.205 -4.093 -4.993 1.00 70.04 C ATOM 156 O THR A 11 5.245 -5.305 -5.209 1.00 74.14 O ATOM 157 CB THR A 11 7.058 -3.808 -3.347 1.00 2.12 C ATOM 158 OG1 THR A 11 7.337 -3.641 -1.952 1.00 53.42 O ATOM 159 CG2 THR A 11 7.942 -2.875 -4.161 1.00 60.21 C ATOM 0 H THR A 11 4.606 -5.109 -2.634 1.00 4.01 H new ATOM 0 HA THR A 11 5.399 -2.455 -3.620 1.00 4.54 H new ATOM 0 HB THR A 11 7.274 -4.835 -3.640 1.00 2.12 H new ATOM 0 HG1 THR A 11 8.286 -3.820 -1.784 1.00 53.42 H new ATOM 0 HG21 THR A 11 8.989 -3.089 -3.949 1.00 60.21 H new ATOM 0 HG22 THR A 11 7.749 -3.026 -5.223 1.00 60.21 H new ATOM 0 HG23 THR A 11 7.722 -1.841 -3.895 1.00 60.21 H new ATOM 167 N LEU A 12 4.852 -3.206 -5.917 1.00 14.55 N ATOM 168 CA LEU A 12 4.482 -3.613 -7.268 1.00 12.14 C ATOM 169 C LEU A 12 5.520 -3.142 -8.282 1.00 34.25 C ATOM 170 O LEU A 12 5.825 -1.953 -8.366 1.00 32.44 O ATOM 171 CB LEU A 12 3.106 -3.053 -7.632 1.00 13.33 C ATOM 172 CG LEU A 12 2.726 -3.115 -9.112 1.00 11.35 C ATOM 173 CD1 LEU A 12 3.060 -4.480 -9.692 1.00 22.23 C ATOM 174 CD2 LEU A 12 1.248 -2.802 -9.296 1.00 42.14 C ATOM 0 H LEU A 12 4.814 -2.200 -5.755 1.00 14.55 H new ATOM 0 HA LEU A 12 4.443 -4.702 -7.295 1.00 12.14 H new ATOM 0 HB2 LEU A 12 2.353 -3.596 -7.061 1.00 13.33 H new ATOM 0 HB3 LEU A 12 3.062 -2.013 -7.310 1.00 13.33 H new ATOM 0 HG LEU A 12 3.306 -2.364 -9.648 1.00 11.35 H new ATOM 0 HD11 LEU A 12 2.783 -4.505 -10.746 1.00 22.23 H new ATOM 0 HD12 LEU A 12 4.130 -4.665 -9.594 1.00 22.23 H new ATOM 0 HD13 LEU A 12 2.508 -5.250 -9.153 1.00 22.23 H new ATOM 0 HD21 LEU A 12 0.995 -2.851 -10.355 1.00 42.14 H new ATOM 0 HD22 LEU A 12 0.651 -3.530 -8.746 1.00 42.14 H new ATOM 0 HD23 LEU A 12 1.038 -1.801 -8.918 1.00 42.14 H new ATOM 186 N ASN A 13 6.057 -4.083 -9.051 1.00 72.31 N ATOM 187 CA ASN A 13 7.059 -3.764 -10.061 1.00 62.52 C ATOM 188 C ASN A 13 6.453 -3.806 -11.461 1.00 25.01 C ATOM 189 O ASN A 13 5.675 -4.702 -11.785 1.00 2.11 O ATOM 190 CB ASN A 13 8.232 -4.742 -9.972 1.00 25.51 C ATOM 191 CG ASN A 13 7.777 -6.176 -9.778 1.00 12.24 C ATOM 192 OD1 ASN A 13 7.304 -6.821 -10.714 1.00 12.25 O ATOM 193 ND2 ASN A 13 7.917 -6.681 -8.558 1.00 4.04 N ATOM 0 H ASN A 13 5.815 -5.072 -8.994 1.00 72.31 H new ATOM 0 HA ASN A 13 7.421 -2.754 -9.871 1.00 62.52 H new ATOM 0 HB2 ASN A 13 8.829 -4.673 -10.882 1.00 25.51 H new ATOM 0 HB3 ASN A 13 8.879 -4.454 -9.144 1.00 25.51 H new ATOM 0 HD21 ASN A 13 7.627 -7.640 -8.367 1.00 4.04 H new ATOM 0 HD22 ASN A 13 8.314 -6.110 -7.812 1.00 4.04 H new ATOM 200 N ASN A 14 6.817 -2.830 -12.286 1.00 63.04 N ATOM 201 CA ASN A 14 6.310 -2.755 -13.652 1.00 10.23 C ATOM 202 C ASN A 14 4.791 -2.891 -13.676 1.00 34.14 C ATOM 203 O ASN A 14 4.236 -3.842 -14.227 1.00 24.30 O ATOM 204 CB ASN A 14 6.945 -3.847 -14.515 1.00 31.13 C ATOM 205 CG ASN A 14 6.602 -3.695 -15.984 1.00 61.11 C ATOM 206 OD1 ASN A 14 6.683 -2.601 -16.542 1.00 11.42 O ATOM 207 ND2 ASN A 14 6.217 -4.796 -16.619 1.00 34.25 N ATOM 0 H ASN A 14 7.461 -2.080 -12.033 1.00 63.04 H new ATOM 0 HA ASN A 14 6.576 -1.780 -14.059 1.00 10.23 H new ATOM 0 HB2 ASN A 14 8.028 -3.819 -14.393 1.00 31.13 H new ATOM 0 HB3 ASN A 14 6.610 -4.823 -14.166 1.00 31.13 H new ATOM 0 HD21 ASN A 14 5.974 -4.755 -17.609 1.00 34.25 H new ATOM 0 HD22 ASN A 14 6.164 -5.682 -16.117 1.00 34.25 H new ATOM 214 N PRO A 15 4.100 -1.918 -13.064 1.00 55.20 N ATOM 215 CA PRO A 15 2.635 -1.906 -13.002 1.00 51.42 C ATOM 216 C PRO A 15 2.000 -1.637 -14.362 1.00 55.20 C ATOM 217 O PRO A 15 2.507 -0.836 -15.149 1.00 22.33 O ATOM 218 CB PRO A 15 2.330 -0.760 -12.034 1.00 3.03 C ATOM 219 CG PRO A 15 3.514 0.140 -12.128 1.00 15.32 C ATOM 220 CD PRO A 15 4.695 -0.754 -12.386 1.00 54.22 C ATOM 0 HA PRO A 15 2.233 -2.868 -12.685 1.00 51.42 H new ATOM 0 HB2 PRO A 15 1.414 -0.239 -12.313 1.00 3.03 H new ATOM 0 HB3 PRO A 15 2.191 -1.127 -11.017 1.00 3.03 H new ATOM 0 HG2 PRO A 15 3.390 0.865 -12.933 1.00 15.32 H new ATOM 0 HG3 PRO A 15 3.648 0.707 -11.206 1.00 15.32 H new ATOM 0 HD2 PRO A 15 5.442 -0.263 -13.011 1.00 54.22 H new ATOM 0 HD3 PRO A 15 5.193 -1.040 -11.459 1.00 54.22 H new ATOM 228 N LEU A 16 0.887 -2.309 -14.633 1.00 74.51 N ATOM 229 CA LEU A 16 0.181 -2.143 -15.899 1.00 12.42 C ATOM 230 C LEU A 16 -0.807 -0.983 -15.823 1.00 12.03 C ATOM 231 O LEU A 16 -1.419 -0.609 -16.823 1.00 72.21 O ATOM 232 CB LEU A 16 -0.556 -3.431 -16.269 1.00 24.45 C ATOM 233 CG LEU A 16 0.309 -4.561 -16.831 1.00 13.51 C ATOM 234 CD1 LEU A 16 -0.313 -5.914 -16.521 1.00 2.51 C ATOM 235 CD2 LEU A 16 0.499 -4.390 -18.331 1.00 72.01 C ATOM 0 H LEU A 16 0.453 -2.974 -13.993 1.00 74.51 H new ATOM 0 HA LEU A 16 0.918 -1.920 -16.670 1.00 12.42 H new ATOM 0 HB2 LEU A 16 -1.069 -3.800 -15.381 1.00 24.45 H new ATOM 0 HB3 LEU A 16 -1.324 -3.188 -17.003 1.00 24.45 H new ATOM 0 HG LEU A 16 1.288 -4.517 -16.353 1.00 13.51 H new ATOM 0 HD11 LEU A 16 0.316 -6.706 -16.928 1.00 2.51 H new ATOM 0 HD12 LEU A 16 -0.397 -6.037 -15.441 1.00 2.51 H new ATOM 0 HD13 LEU A 16 -1.304 -5.970 -16.971 1.00 2.51 H new ATOM 0 HD21 LEU A 16 1.117 -5.202 -18.714 1.00 72.01 H new ATOM 0 HD22 LEU A 16 -0.472 -4.408 -18.825 1.00 72.01 H new ATOM 0 HD23 LEU A 16 0.989 -3.437 -18.529 1.00 72.01 H new ATOM 247 N SER A 17 -0.956 -0.416 -14.630 1.00 21.45 N ATOM 248 CA SER A 17 -1.871 0.700 -14.422 1.00 44.22 C ATOM 249 C SER A 17 -1.845 1.160 -12.968 1.00 11.51 C ATOM 250 O SER A 17 -1.423 0.435 -12.067 1.00 70.55 O ATOM 251 CB SER A 17 -3.294 0.301 -14.818 1.00 4.51 C ATOM 252 OG SER A 17 -3.510 -1.084 -14.615 1.00 70.32 O ATOM 0 H SER A 17 -0.454 -0.711 -13.792 1.00 21.45 H new ATOM 0 HA SER A 17 -1.545 1.527 -15.052 1.00 44.22 H new ATOM 0 HB2 SER A 17 -4.012 0.874 -14.232 1.00 4.51 H new ATOM 0 HB3 SER A 17 -3.467 0.550 -15.865 1.00 4.51 H new ATOM 0 HG SER A 17 -4.427 -1.313 -14.874 1.00 70.32 H new ATOM 258 N PRO A 18 -2.308 2.397 -12.731 1.00 43.14 N ATOM 259 CA PRO A 18 -2.350 2.983 -11.388 1.00 44.24 C ATOM 260 C PRO A 18 -3.392 2.317 -10.497 1.00 72.13 C ATOM 261 O PRO A 18 -4.391 1.785 -10.984 1.00 21.32 O ATOM 262 CB PRO A 18 -2.725 4.444 -11.650 1.00 60.14 C ATOM 263 CG PRO A 18 -3.454 4.420 -12.949 1.00 41.54 C ATOM 264 CD PRO A 18 -2.826 3.318 -13.757 1.00 11.13 C ATOM 0 HA PRO A 18 -1.405 2.859 -10.860 1.00 44.24 H new ATOM 0 HB2 PRO A 18 -3.352 4.841 -10.852 1.00 60.14 H new ATOM 0 HB3 PRO A 18 -1.839 5.077 -11.705 1.00 60.14 H new ATOM 0 HG2 PRO A 18 -4.517 4.234 -12.796 1.00 41.54 H new ATOM 0 HG3 PRO A 18 -3.368 5.378 -13.462 1.00 41.54 H new ATOM 0 HD2 PRO A 18 -3.554 2.830 -14.405 1.00 11.13 H new ATOM 0 HD3 PRO A 18 -2.029 3.694 -14.399 1.00 11.13 H new ATOM 272 N LEU A 19 -3.155 2.350 -9.191 1.00 23.43 N ATOM 273 CA LEU A 19 -4.074 1.749 -8.231 1.00 32.24 C ATOM 274 C LEU A 19 -5.333 2.597 -8.078 1.00 61.42 C ATOM 275 O LEU A 19 -5.399 3.723 -8.572 1.00 24.55 O ATOM 276 CB LEU A 19 -3.389 1.584 -6.873 1.00 31.11 C ATOM 277 CG LEU A 19 -1.947 1.078 -6.906 1.00 64.40 C ATOM 278 CD1 LEU A 19 -1.324 1.149 -5.520 1.00 60.24 C ATOM 279 CD2 LEU A 19 -1.893 -0.345 -7.445 1.00 2.45 C ATOM 0 H LEU A 19 -2.334 2.787 -8.772 1.00 23.43 H new ATOM 0 HA LEU A 19 -4.362 0.767 -8.607 1.00 32.24 H new ATOM 0 HB2 LEU A 19 -3.404 2.547 -6.362 1.00 31.11 H new ATOM 0 HB3 LEU A 19 -3.981 0.895 -6.271 1.00 31.11 H new ATOM 0 HG LEU A 19 -1.372 1.720 -7.573 1.00 64.40 H new ATOM 0 HD11 LEU A 19 -0.298 0.785 -5.563 1.00 60.24 H new ATOM 0 HD12 LEU A 19 -1.328 2.182 -5.172 1.00 60.24 H new ATOM 0 HD13 LEU A 19 -1.899 0.531 -4.830 1.00 60.24 H new ATOM 0 HD21 LEU A 19 -0.859 -0.689 -7.461 1.00 2.45 H new ATOM 0 HD22 LEU A 19 -2.483 -1.000 -6.804 1.00 2.45 H new ATOM 0 HD23 LEU A 19 -2.299 -0.367 -8.457 1.00 2.45 H new ATOM 291 N SER A 20 -6.330 2.049 -7.390 1.00 65.21 N ATOM 292 CA SER A 20 -7.587 2.754 -7.174 1.00 13.13 C ATOM 293 C SER A 20 -8.216 2.348 -5.844 1.00 73.24 C ATOM 294 O SER A 20 -8.043 1.220 -5.381 1.00 74.44 O ATOM 295 CB SER A 20 -8.560 2.469 -8.319 1.00 72.35 C ATOM 296 OG SER A 20 -8.995 1.120 -8.295 1.00 52.32 O ATOM 0 H SER A 20 -6.291 1.119 -6.973 1.00 65.21 H new ATOM 0 HA SER A 20 -7.375 3.823 -7.145 1.00 13.13 H new ATOM 0 HB2 SER A 20 -9.421 3.133 -8.243 1.00 72.35 H new ATOM 0 HB3 SER A 20 -8.077 2.682 -9.273 1.00 72.35 H new ATOM 0 HG SER A 20 -9.617 0.964 -9.036 1.00 52.32 H new ATOM 302 N LEU A 21 -8.947 3.275 -5.235 1.00 43.11 N ATOM 303 CA LEU A 21 -9.603 3.015 -3.958 1.00 42.22 C ATOM 304 C LEU A 21 -10.433 1.737 -4.023 1.00 1.24 C ATOM 305 O LEU A 21 -10.928 1.359 -5.085 1.00 30.22 O ATOM 306 CB LEU A 21 -10.494 4.197 -3.570 1.00 63.35 C ATOM 307 CG LEU A 21 -11.468 3.953 -2.417 1.00 63.22 C ATOM 308 CD1 LEU A 21 -10.714 3.804 -1.105 1.00 12.34 C ATOM 309 CD2 LEU A 21 -12.482 5.084 -2.327 1.00 63.23 C ATOM 0 H LEU A 21 -9.100 4.213 -5.605 1.00 43.11 H new ATOM 0 HA LEU A 21 -8.831 2.886 -3.200 1.00 42.22 H new ATOM 0 HB2 LEU A 21 -9.853 5.038 -3.306 1.00 63.35 H new ATOM 0 HB3 LEU A 21 -11.068 4.497 -4.447 1.00 63.35 H new ATOM 0 HG LEU A 21 -12.006 3.025 -2.611 1.00 63.22 H new ATOM 0 HD11 LEU A 21 -11.423 3.631 -0.295 1.00 12.34 H new ATOM 0 HD12 LEU A 21 -10.028 2.960 -1.173 1.00 12.34 H new ATOM 0 HD13 LEU A 21 -10.149 4.715 -0.904 1.00 12.34 H new ATOM 0 HD21 LEU A 21 -13.167 4.894 -1.501 1.00 63.23 H new ATOM 0 HD22 LEU A 21 -11.962 6.027 -2.157 1.00 63.23 H new ATOM 0 HD23 LEU A 21 -13.045 5.143 -3.259 1.00 63.23 H new ATOM 321 N HIS A 22 -10.583 1.077 -2.879 1.00 30.12 N ATOM 322 CA HIS A 22 -11.356 -0.158 -2.805 1.00 11.24 C ATOM 323 C HIS A 22 -12.568 0.014 -1.894 1.00 53.01 C ATOM 324 O HIS A 22 -12.483 0.651 -0.844 1.00 25.52 O ATOM 325 CB HIS A 22 -10.480 -1.303 -2.296 1.00 70.12 C ATOM 326 CG HIS A 22 -11.026 -2.661 -2.613 1.00 73.21 C ATOM 327 ND1 HIS A 22 -11.010 -3.707 -1.715 1.00 32.31 N ATOM 328 CD2 HIS A 22 -11.608 -3.141 -3.737 1.00 72.20 C ATOM 329 CE1 HIS A 22 -11.557 -4.772 -2.273 1.00 60.51 C ATOM 330 NE2 HIS A 22 -11.929 -4.455 -3.500 1.00 64.43 N ATOM 0 H HIS A 22 -10.180 1.376 -1.991 1.00 30.12 H new ATOM 0 HA HIS A 22 -11.708 -0.398 -3.808 1.00 11.24 H new ATOM 0 HB2 HIS A 22 -9.485 -1.210 -2.731 1.00 70.12 H new ATOM 0 HB3 HIS A 22 -10.365 -1.209 -1.216 1.00 70.12 H new ATOM 0 HD2 HIS A 22 -11.787 -2.593 -4.650 1.00 72.20 H new ATOM 0 HE1 HIS A 22 -11.679 -5.738 -1.805 1.00 60.51 H new ATOM 0 HE2 HIS A 22 -12.381 -5.084 -4.164 1.00 64.43 H new ATOM 338 N ASP A 23 -13.696 -0.557 -2.304 1.00 44.52 N ATOM 339 CA ASP A 23 -14.925 -0.467 -1.525 1.00 53.25 C ATOM 340 C ASP A 23 -14.765 -1.159 -0.176 1.00 34.34 C ATOM 341 O ASP A 23 -15.477 -0.850 0.780 1.00 4.31 O ATOM 342 CB ASP A 23 -16.090 -1.089 -2.297 1.00 64.44 C ATOM 343 CG ASP A 23 -16.732 -0.113 -3.263 1.00 60.11 C ATOM 344 OD1 ASP A 23 -16.080 0.894 -3.610 1.00 13.40 O ATOM 345 OD2 ASP A 23 -17.886 -0.357 -3.673 1.00 0.03 O ATOM 0 H ASP A 23 -13.784 -1.087 -3.171 1.00 44.52 H new ATOM 0 HA ASP A 23 -15.138 0.587 -1.349 1.00 53.25 H new ATOM 0 HB2 ASP A 23 -15.733 -1.959 -2.848 1.00 64.44 H new ATOM 0 HB3 ASP A 23 -16.841 -1.444 -1.591 1.00 64.44 H new ATOM 350 N SER A 24 -13.828 -2.099 -0.106 1.00 3.24 N ATOM 351 CA SER A 24 -13.578 -2.839 1.126 1.00 43.03 C ATOM 352 C SER A 24 -12.633 -2.067 2.041 1.00 4.23 C ATOM 353 O SER A 24 -12.821 -2.031 3.257 1.00 44.31 O ATOM 354 CB SER A 24 -12.988 -4.214 0.808 1.00 22.30 C ATOM 355 OG SER A 24 -13.654 -4.814 -0.290 1.00 11.15 O ATOM 0 H SER A 24 -13.229 -2.366 -0.887 1.00 3.24 H new ATOM 0 HA SER A 24 -14.529 -2.970 1.642 1.00 43.03 H new ATOM 0 HB2 SER A 24 -11.926 -4.114 0.583 1.00 22.30 H new ATOM 0 HB3 SER A 24 -13.069 -4.859 1.683 1.00 22.30 H new ATOM 0 HG SER A 24 -13.370 -5.748 -0.374 1.00 11.15 H new ATOM 361 N MET A 25 -11.616 -1.451 1.448 1.00 42.45 N ATOM 362 CA MET A 25 -10.641 -0.678 2.209 1.00 52.21 C ATOM 363 C MET A 25 -11.245 0.638 2.688 1.00 54.54 C ATOM 364 O MET A 25 -12.433 0.897 2.490 1.00 62.05 O ATOM 365 CB MET A 25 -9.400 -0.403 1.358 1.00 24.03 C ATOM 366 CG MET A 25 -9.561 0.773 0.409 1.00 75.11 C ATOM 367 SD MET A 25 -8.012 1.246 -0.382 1.00 64.51 S ATOM 368 CE MET A 25 -7.629 -0.246 -1.296 1.00 73.53 C ATOM 0 H MET A 25 -11.445 -1.472 0.443 1.00 42.45 H new ATOM 0 HA MET A 25 -10.352 -1.264 3.082 1.00 52.21 H new ATOM 0 HB2 MET A 25 -8.553 -0.214 2.017 1.00 24.03 H new ATOM 0 HB3 MET A 25 -9.161 -1.296 0.780 1.00 24.03 H new ATOM 0 HG2 MET A 25 -10.293 0.518 -0.358 1.00 75.11 H new ATOM 0 HG3 MET A 25 -9.959 1.626 0.958 1.00 75.11 H new ATOM 0 HE1 MET A 25 -6.548 -0.368 -1.357 1.00 73.53 H new ATOM 0 HE2 MET A 25 -8.063 -1.106 -0.786 1.00 73.53 H new ATOM 0 HE3 MET A 25 -8.043 -0.173 -2.301 1.00 73.53 H new ATOM 378 N LYS A 26 -10.421 1.468 3.319 1.00 72.31 N ATOM 379 CA LYS A 26 -10.873 2.758 3.825 1.00 13.15 C ATOM 380 C LYS A 26 -10.000 3.889 3.291 1.00 25.45 C ATOM 381 O LYS A 26 -10.496 4.965 2.958 1.00 63.12 O ATOM 382 CB LYS A 26 -10.854 2.764 5.356 1.00 61.53 C ATOM 383 CG LYS A 26 -12.222 2.977 5.981 1.00 43.24 C ATOM 384 CD LYS A 26 -12.136 3.058 7.495 1.00 12.35 C ATOM 385 CE LYS A 26 -12.453 1.719 8.144 1.00 1.40 C ATOM 386 NZ LYS A 26 -12.415 1.800 9.630 1.00 3.45 N ATOM 0 H LYS A 26 -9.436 1.270 3.492 1.00 72.31 H new ATOM 0 HA LYS A 26 -11.894 2.917 3.480 1.00 13.15 H new ATOM 0 HB2 LYS A 26 -10.446 1.817 5.710 1.00 61.53 H new ATOM 0 HB3 LYS A 26 -10.181 3.549 5.699 1.00 61.53 H new ATOM 0 HG2 LYS A 26 -12.662 3.895 5.591 1.00 43.24 H new ATOM 0 HG3 LYS A 26 -12.884 2.159 5.696 1.00 43.24 H new ATOM 0 HD2 LYS A 26 -11.136 3.377 7.787 1.00 12.35 H new ATOM 0 HD3 LYS A 26 -12.831 3.814 7.860 1.00 12.35 H new ATOM 0 HE2 LYS A 26 -13.440 1.385 7.824 1.00 1.40 H new ATOM 0 HE3 LYS A 26 -11.737 0.971 7.803 1.00 1.40 H new ATOM 0 HZ1 LYS A 26 -12.636 0.868 10.034 1.00 3.45 H new ATOM 0 HZ2 LYS A 26 -11.466 2.094 9.937 1.00 3.45 H new ATOM 0 HZ3 LYS A 26 -13.116 2.495 9.958 1.00 3.45 H new ATOM 400 N TYR A 27 -8.698 3.637 3.212 1.00 23.20 N ATOM 401 CA TYR A 27 -7.755 4.634 2.719 1.00 51.00 C ATOM 402 C TYR A 27 -6.731 4.000 1.782 1.00 33.24 C ATOM 403 O TYR A 27 -6.398 2.821 1.914 1.00 51.22 O ATOM 404 CB TYR A 27 -7.041 5.313 3.889 1.00 42.34 C ATOM 405 CG TYR A 27 -6.624 6.737 3.599 1.00 42.53 C ATOM 406 CD1 TYR A 27 -7.572 7.739 3.430 1.00 33.02 C ATOM 407 CD2 TYR A 27 -5.282 7.082 3.492 1.00 30.43 C ATOM 408 CE1 TYR A 27 -7.196 9.041 3.164 1.00 12.54 C ATOM 409 CE2 TYR A 27 -4.897 8.382 3.228 1.00 22.43 C ATOM 410 CZ TYR A 27 -5.857 9.358 3.065 1.00 74.10 C ATOM 411 OH TYR A 27 -5.478 10.654 2.800 1.00 23.25 O ATOM 0 H TYR A 27 -8.272 2.751 3.483 1.00 23.20 H new ATOM 0 HA TYR A 27 -8.316 5.383 2.160 1.00 51.00 H new ATOM 0 HB2 TYR A 27 -7.698 5.306 4.759 1.00 42.34 H new ATOM 0 HB3 TYR A 27 -6.158 4.731 4.152 1.00 42.34 H new ATOM 0 HD1 TYR A 27 -8.621 7.495 3.508 1.00 33.02 H new ATOM 0 HD2 TYR A 27 -4.527 6.320 3.617 1.00 30.43 H new ATOM 0 HE1 TYR A 27 -7.946 9.807 3.034 1.00 12.54 H new ATOM 0 HE2 TYR A 27 -3.849 8.633 3.150 1.00 22.43 H new ATOM 0 HH TYR A 27 -5.210 11.094 3.634 1.00 23.25 H new ATOM 421 N LEU A 28 -6.235 4.790 0.837 1.00 51.10 N ATOM 422 CA LEU A 28 -5.248 4.308 -0.123 1.00 10.01 C ATOM 423 C LEU A 28 -4.059 5.260 -0.206 1.00 52.12 C ATOM 424 O LEU A 28 -4.225 6.459 -0.434 1.00 21.44 O ATOM 425 CB LEU A 28 -5.886 4.149 -1.504 1.00 71.20 C ATOM 426 CG LEU A 28 -4.918 4.060 -2.684 1.00 72.24 C ATOM 427 CD1 LEU A 28 -3.866 2.991 -2.432 1.00 44.52 C ATOM 428 CD2 LEU A 28 -5.674 3.773 -3.974 1.00 31.45 C ATOM 0 H LEU A 28 -6.500 5.767 0.715 1.00 51.10 H new ATOM 0 HA LEU A 28 -4.889 3.337 0.219 1.00 10.01 H new ATOM 0 HB2 LEU A 28 -6.502 3.250 -1.496 1.00 71.20 H new ATOM 0 HB3 LEU A 28 -6.556 4.992 -1.672 1.00 71.20 H new ATOM 0 HG LEU A 28 -4.413 5.020 -2.788 1.00 72.24 H new ATOM 0 HD11 LEU A 28 -3.186 2.942 -3.282 1.00 44.52 H new ATOM 0 HD12 LEU A 28 -3.304 3.239 -1.532 1.00 44.52 H new ATOM 0 HD13 LEU A 28 -4.353 2.025 -2.301 1.00 44.52 H new ATOM 0 HD21 LEU A 28 -4.969 3.713 -4.803 1.00 31.45 H new ATOM 0 HD22 LEU A 28 -6.206 2.826 -3.881 1.00 31.45 H new ATOM 0 HD23 LEU A 28 -6.389 4.574 -4.163 1.00 31.45 H new ATOM 440 N VAL A 29 -2.859 4.718 -0.022 1.00 54.05 N ATOM 441 CA VAL A 29 -1.642 5.518 -0.080 1.00 50.21 C ATOM 442 C VAL A 29 -0.526 4.770 -0.802 1.00 15.44 C ATOM 443 O VAL A 29 -0.140 3.672 -0.400 1.00 53.41 O ATOM 444 CB VAL A 29 -1.157 5.905 1.330 1.00 55.22 C ATOM 445 CG1 VAL A 29 0.135 6.703 1.250 1.00 23.31 C ATOM 446 CG2 VAL A 29 -2.233 6.690 2.066 1.00 71.23 C ATOM 0 H VAL A 29 -2.704 3.728 0.168 1.00 54.05 H new ATOM 0 HA VAL A 29 -1.885 6.425 -0.634 1.00 50.21 H new ATOM 0 HB VAL A 29 -0.958 4.992 1.890 1.00 55.22 H new ATOM 0 HG11 VAL A 29 0.462 6.967 2.256 1.00 23.31 H new ATOM 0 HG12 VAL A 29 0.904 6.102 0.764 1.00 23.31 H new ATOM 0 HG13 VAL A 29 -0.034 7.612 0.673 1.00 23.31 H new ATOM 0 HG21 VAL A 29 -1.874 6.955 3.060 1.00 71.23 H new ATOM 0 HG22 VAL A 29 -2.465 7.598 1.510 1.00 71.23 H new ATOM 0 HG23 VAL A 29 -3.132 6.080 2.156 1.00 71.23 H new ATOM 456 N TYR A 30 -0.012 5.372 -1.868 1.00 51.31 N ATOM 457 CA TYR A 30 1.059 4.763 -2.648 1.00 33.54 C ATOM 458 C TYR A 30 1.893 5.827 -3.353 1.00 41.13 C ATOM 459 O TYR A 30 1.427 6.942 -3.586 1.00 71.15 O ATOM 460 CB TYR A 30 0.479 3.789 -3.675 1.00 61.12 C ATOM 461 CG TYR A 30 -0.042 4.465 -4.923 1.00 72.01 C ATOM 462 CD1 TYR A 30 -1.321 5.007 -4.961 1.00 71.41 C ATOM 463 CD2 TYR A 30 0.745 4.563 -6.064 1.00 72.10 C ATOM 464 CE1 TYR A 30 -1.802 5.624 -6.099 1.00 44.44 C ATOM 465 CE2 TYR A 30 0.273 5.180 -7.206 1.00 41.34 C ATOM 466 CZ TYR A 30 -1.001 5.709 -7.219 1.00 62.02 C ATOM 467 OH TYR A 30 -1.475 6.325 -8.355 1.00 32.14 O ATOM 0 H TYR A 30 -0.320 6.282 -2.212 1.00 51.31 H new ATOM 0 HA TYR A 30 1.707 4.216 -1.963 1.00 33.54 H new ATOM 0 HB2 TYR A 30 1.248 3.069 -3.956 1.00 61.12 H new ATOM 0 HB3 TYR A 30 -0.331 3.225 -3.212 1.00 61.12 H new ATOM 0 HD1 TYR A 30 -1.950 4.945 -4.085 1.00 71.41 H new ATOM 0 HD2 TYR A 30 1.743 4.150 -6.058 1.00 72.10 H new ATOM 0 HE1 TYR A 30 -2.800 6.038 -6.112 1.00 44.44 H new ATOM 0 HE2 TYR A 30 0.898 5.248 -8.084 1.00 41.34 H new ATOM 0 HH TYR A 30 -0.786 6.301 -9.052 1.00 32.14 H new ATOM 477 N GLN A 31 3.129 5.473 -3.691 1.00 0.44 N ATOM 478 CA GLN A 31 4.029 6.398 -4.370 1.00 22.13 C ATOM 479 C GLN A 31 4.828 5.682 -5.454 1.00 51.31 C ATOM 480 O GLN A 31 4.992 4.462 -5.417 1.00 2.31 O ATOM 481 CB GLN A 31 4.981 7.048 -3.364 1.00 31.33 C ATOM 482 CG GLN A 31 4.327 7.373 -2.030 1.00 63.33 C ATOM 483 CD GLN A 31 5.204 8.237 -1.146 1.00 22.12 C ATOM 484 OE1 GLN A 31 5.378 7.956 0.040 1.00 32.05 O ATOM 485 NE2 GLN A 31 5.763 9.296 -1.720 1.00 22.03 N ATOM 0 H GLN A 31 3.530 4.553 -3.506 1.00 0.44 H new ATOM 0 HA GLN A 31 3.425 7.173 -4.841 1.00 22.13 H new ATOM 0 HB2 GLN A 31 5.826 6.381 -3.192 1.00 31.33 H new ATOM 0 HB3 GLN A 31 5.382 7.965 -3.796 1.00 31.33 H new ATOM 0 HG2 GLN A 31 3.381 7.885 -2.208 1.00 63.33 H new ATOM 0 HG3 GLN A 31 4.094 6.445 -1.508 1.00 63.33 H new ATOM 0 HE21 GLN A 31 5.592 9.491 -2.706 1.00 22.03 H new ATOM 0 HE22 GLN A 31 6.364 9.914 -1.175 1.00 22.03 H new ATOM 494 N THR A 32 5.323 6.449 -6.421 1.00 21.11 N ATOM 495 CA THR A 32 6.103 5.888 -7.517 1.00 2.32 C ATOM 496 C THR A 32 7.598 6.065 -7.275 1.00 12.15 C ATOM 497 O THR A 32 8.050 7.144 -6.893 1.00 30.14 O ATOM 498 CB THR A 32 5.732 6.541 -8.862 1.00 20.11 C ATOM 499 OG1 THR A 32 4.351 6.304 -9.157 1.00 11.14 O ATOM 500 CG2 THR A 32 6.597 5.992 -9.986 1.00 41.25 C ATOM 0 H THR A 32 5.197 7.460 -6.467 1.00 21.11 H new ATOM 0 HA THR A 32 5.868 4.825 -7.560 1.00 2.32 H new ATOM 0 HB THR A 32 5.907 7.614 -8.781 1.00 20.11 H new ATOM 0 HG1 THR A 32 4.125 5.375 -8.940 1.00 11.14 H new ATOM 0 HG21 THR A 32 6.317 6.468 -10.926 1.00 41.25 H new ATOM 0 HG22 THR A 32 7.646 6.199 -9.773 1.00 41.25 H new ATOM 0 HG23 THR A 32 6.449 4.915 -10.066 1.00 41.25 H new ATOM 508 N GLU A 33 8.359 4.999 -7.500 1.00 4.13 N ATOM 509 CA GLU A 33 9.804 5.038 -7.305 1.00 40.32 C ATOM 510 C GLU A 33 10.535 4.575 -8.562 1.00 30.41 C ATOM 511 O GLU A 33 9.949 3.928 -9.430 1.00 13.42 O ATOM 512 CB GLU A 33 10.205 4.163 -6.116 1.00 71.43 C ATOM 513 CG GLU A 33 10.252 4.913 -4.796 1.00 40.10 C ATOM 514 CD GLU A 33 9.655 4.118 -3.651 1.00 61.22 C ATOM 515 OE1 GLU A 33 8.414 4.119 -3.511 1.00 4.25 O ATOM 516 OE2 GLU A 33 10.430 3.494 -2.896 1.00 73.41 O ATOM 0 H GLU A 33 8.000 4.099 -7.817 1.00 4.13 H new ATOM 0 HA GLU A 33 10.089 6.070 -7.099 1.00 40.32 H new ATOM 0 HB2 GLU A 33 9.499 3.337 -6.030 1.00 71.43 H new ATOM 0 HB3 GLU A 33 11.185 3.727 -6.311 1.00 71.43 H new ATOM 0 HG2 GLU A 33 11.287 5.161 -4.560 1.00 40.10 H new ATOM 0 HG3 GLU A 33 9.714 5.855 -4.899 1.00 40.10 H new ATOM 523 N GLN A 34 11.818 4.910 -8.651 1.00 10.11 N ATOM 524 CA GLN A 34 12.629 4.529 -9.802 1.00 14.35 C ATOM 525 C GLN A 34 13.491 3.313 -9.481 1.00 72.32 C ATOM 526 O GLN A 34 14.129 3.251 -8.431 1.00 60.33 O ATOM 527 CB GLN A 34 13.515 5.697 -10.236 1.00 44.44 C ATOM 528 CG GLN A 34 13.384 6.045 -11.710 1.00 54.43 C ATOM 529 CD GLN A 34 14.689 5.889 -12.466 1.00 13.43 C ATOM 530 OE1 GLN A 34 14.745 5.223 -13.500 1.00 21.15 O ATOM 531 NE2 GLN A 34 15.747 6.505 -11.952 1.00 44.14 N ATOM 0 H GLN A 34 12.318 5.444 -7.941 1.00 10.11 H new ATOM 0 HA GLN A 34 11.956 4.269 -10.619 1.00 14.35 H new ATOM 0 HB2 GLN A 34 13.263 6.574 -9.640 1.00 44.44 H new ATOM 0 HB3 GLN A 34 14.555 5.453 -10.020 1.00 44.44 H new ATOM 0 HG2 GLN A 34 12.627 5.406 -12.164 1.00 54.43 H new ATOM 0 HG3 GLN A 34 13.033 7.072 -11.807 1.00 54.43 H new ATOM 0 HE21 GLN A 34 15.654 7.046 -11.093 1.00 44.14 H new ATOM 0 HE22 GLN A 34 16.652 6.437 -12.417 1.00 44.14 H new ATOM 540 N GLY A 35 13.504 2.346 -10.394 1.00 22.10 N ATOM 541 CA GLY A 35 14.291 1.144 -10.190 1.00 33.55 C ATOM 542 C GLY A 35 14.029 0.092 -11.250 1.00 11.23 C ATOM 543 O GLY A 35 13.137 0.250 -12.082 1.00 15.41 O ATOM 0 H GLY A 35 12.984 2.374 -11.271 1.00 22.10 H new ATOM 0 HA2 GLY A 35 15.350 1.402 -10.193 1.00 33.55 H new ATOM 0 HA3 GLY A 35 14.067 0.729 -9.207 1.00 33.55 H new ATOM 547 N GLU A 36 14.810 -0.983 -11.220 1.00 70.13 N ATOM 548 CA GLU A 36 14.659 -2.063 -12.188 1.00 73.04 C ATOM 549 C GLU A 36 14.321 -1.511 -13.571 1.00 21.35 C ATOM 550 O GLU A 36 13.154 -1.441 -13.954 1.00 40.03 O ATOM 551 CB GLU A 36 13.568 -3.035 -11.735 1.00 34.22 C ATOM 552 CG GLU A 36 12.299 -2.347 -11.258 1.00 24.51 C ATOM 553 CD GLU A 36 11.222 -3.332 -10.846 1.00 12.53 C ATOM 554 OE1 GLU A 36 10.944 -4.267 -11.625 1.00 23.30 O ATOM 555 OE2 GLU A 36 10.656 -3.166 -9.745 1.00 21.10 O ATOM 0 H GLU A 36 15.553 -1.129 -10.537 1.00 70.13 H new ATOM 0 HA GLU A 36 15.608 -2.596 -12.250 1.00 73.04 H new ATOM 0 HB2 GLU A 36 13.321 -3.702 -12.561 1.00 34.22 H new ATOM 0 HB3 GLU A 36 13.959 -3.657 -10.930 1.00 34.22 H new ATOM 0 HG2 GLU A 36 12.536 -1.700 -10.414 1.00 24.51 H new ATOM 0 HG3 GLU A 36 11.916 -1.707 -12.053 1.00 24.51 H new ATOM 562 N ALA A 37 15.352 -1.121 -14.313 1.00 52.21 N ATOM 563 CA ALA A 37 15.166 -0.577 -15.653 1.00 13.04 C ATOM 564 C ALA A 37 14.393 0.737 -15.609 1.00 73.22 C ATOM 565 O ALA A 37 13.915 1.153 -14.555 1.00 24.15 O ATOM 566 CB ALA A 37 14.447 -1.586 -16.536 1.00 50.45 C ATOM 0 H ALA A 37 16.324 -1.171 -14.009 1.00 52.21 H new ATOM 0 HA ALA A 37 16.150 -0.375 -16.077 1.00 13.04 H new ATOM 0 HB1 ALA A 37 14.315 -1.167 -17.534 1.00 50.45 H new ATOM 0 HB2 ALA A 37 15.039 -2.499 -16.601 1.00 50.45 H new ATOM 0 HB3 ALA A 37 13.472 -1.816 -16.106 1.00 50.45 H new ATOM 572 N GLY A 38 14.274 1.387 -16.763 1.00 73.32 N ATOM 573 CA GLY A 38 13.558 2.647 -16.834 1.00 44.32 C ATOM 574 C GLY A 38 12.172 2.562 -16.227 1.00 2.41 C ATOM 575 O GLY A 38 11.631 3.562 -15.757 1.00 2.15 O ATOM 0 H GLY A 38 14.661 1.063 -17.650 1.00 73.32 H new ATOM 0 HA2 GLY A 38 14.131 3.416 -16.317 1.00 44.32 H new ATOM 0 HA3 GLY A 38 13.476 2.957 -17.876 1.00 44.32 H new ATOM 579 N ASN A 39 11.595 1.365 -16.238 1.00 41.23 N ATOM 580 CA ASN A 39 10.262 1.154 -15.686 1.00 52.13 C ATOM 581 C ASN A 39 10.172 1.691 -14.261 1.00 31.30 C ATOM 582 O ASN A 39 11.183 2.054 -13.659 1.00 31.10 O ATOM 583 CB ASN A 39 9.909 -0.335 -15.706 1.00 11.50 C ATOM 584 CG ASN A 39 10.251 -0.992 -17.029 1.00 35.40 C ATOM 585 OD1 ASN A 39 10.120 -0.382 -18.090 1.00 73.33 O ATOM 586 ND2 ASN A 39 10.691 -2.244 -16.971 1.00 11.20 N ATOM 0 H ASN A 39 12.030 0.526 -16.623 1.00 41.23 H new ATOM 0 HA ASN A 39 9.549 1.698 -16.305 1.00 52.13 H new ATOM 0 HB2 ASN A 39 10.442 -0.843 -14.903 1.00 11.50 H new ATOM 0 HB3 ASN A 39 8.844 -0.456 -15.508 1.00 11.50 H new ATOM 0 HD21 ASN A 39 10.936 -2.739 -17.829 1.00 11.20 H new ATOM 0 HD22 ASN A 39 10.784 -2.711 -16.069 1.00 11.20 H new ATOM 593 N ILE A 40 8.956 1.737 -13.728 1.00 32.03 N ATOM 594 CA ILE A 40 8.734 2.227 -12.373 1.00 44.41 C ATOM 595 C ILE A 40 7.969 1.207 -11.537 1.00 55.35 C ATOM 596 O ILE A 40 7.401 0.253 -12.070 1.00 25.41 O ATOM 597 CB ILE A 40 7.959 3.558 -12.376 1.00 10.12 C ATOM 598 CG1 ILE A 40 7.028 3.629 -13.588 1.00 64.32 C ATOM 599 CG2 ILE A 40 8.925 4.734 -12.373 1.00 74.32 C ATOM 600 CD1 ILE A 40 6.146 4.857 -13.602 1.00 11.21 C ATOM 0 H ILE A 40 8.109 1.441 -14.214 1.00 32.03 H new ATOM 0 HA ILE A 40 9.717 2.390 -11.931 1.00 44.41 H new ATOM 0 HB ILE A 40 7.352 3.610 -11.472 1.00 10.12 H new ATOM 0 HG12 ILE A 40 7.628 3.612 -14.498 1.00 64.32 H new ATOM 0 HG13 ILE A 40 6.398 2.739 -13.605 1.00 64.32 H new ATOM 0 HG21 ILE A 40 8.362 5.667 -12.375 1.00 74.32 H new ATOM 0 HG22 ILE A 40 9.550 4.689 -11.481 1.00 74.32 H new ATOM 0 HG23 ILE A 40 9.556 4.689 -13.261 1.00 74.32 H new ATOM 0 HD11 ILE A 40 5.513 4.840 -14.489 1.00 11.21 H new ATOM 0 HD12 ILE A 40 5.520 4.865 -12.710 1.00 11.21 H new ATOM 0 HD13 ILE A 40 6.768 5.752 -13.617 1.00 11.21 H new ATOM 612 N HIS A 41 7.954 1.417 -10.225 1.00 25.42 N ATOM 613 CA HIS A 41 7.256 0.516 -9.315 1.00 14.35 C ATOM 614 C HIS A 41 6.462 1.303 -8.276 1.00 32.33 C ATOM 615 O HIS A 41 6.809 2.436 -7.942 1.00 33.23 O ATOM 616 CB HIS A 41 8.251 -0.412 -8.618 1.00 12.24 C ATOM 617 CG HIS A 41 9.535 0.261 -8.241 1.00 71.12 C ATOM 618 ND1 HIS A 41 10.755 -0.381 -8.262 1.00 42.14 N ATOM 619 CD2 HIS A 41 9.785 1.527 -7.834 1.00 54.41 C ATOM 620 CE1 HIS A 41 11.700 0.461 -7.883 1.00 13.21 C ATOM 621 NE2 HIS A 41 11.137 1.626 -7.618 1.00 1.43 N ATOM 0 H HIS A 41 8.417 2.203 -9.768 1.00 25.42 H new ATOM 0 HA HIS A 41 6.560 -0.085 -9.901 1.00 14.35 H new ATOM 0 HB2 HIS A 41 7.787 -0.820 -7.720 1.00 12.24 H new ATOM 0 HB3 HIS A 41 8.471 -1.254 -9.274 1.00 12.24 H new ATOM 0 HD1 HIS A 41 10.905 -1.354 -8.529 1.00 42.14 H new ATOM 0 HD2 HIS A 41 9.056 2.313 -7.703 1.00 54.41 H new ATOM 0 HE1 HIS A 41 12.753 0.235 -7.803 1.00 13.21 H new ATOM 629 N PHE A 42 5.395 0.694 -7.769 1.00 15.42 N ATOM 630 CA PHE A 42 4.550 1.338 -6.769 1.00 43.42 C ATOM 631 C PHE A 42 4.848 0.795 -5.375 1.00 0.44 C ATOM 632 O PHE A 42 4.991 -0.412 -5.186 1.00 22.23 O ATOM 633 CB PHE A 42 3.073 1.127 -7.106 1.00 52.43 C ATOM 634 CG PHE A 42 2.655 1.770 -8.398 1.00 11.43 C ATOM 635 CD1 PHE A 42 3.228 2.962 -8.811 1.00 12.42 C ATOM 636 CD2 PHE A 42 1.689 1.183 -9.198 1.00 54.05 C ATOM 637 CE1 PHE A 42 2.846 3.557 -9.999 1.00 32.41 C ATOM 638 CE2 PHE A 42 1.303 1.772 -10.388 1.00 11.34 C ATOM 639 CZ PHE A 42 1.881 2.961 -10.788 1.00 2.13 C ATOM 0 H PHE A 42 5.095 -0.244 -8.034 1.00 15.42 H new ATOM 0 HA PHE A 42 4.768 2.406 -6.778 1.00 43.42 H new ATOM 0 HB2 PHE A 42 2.870 0.057 -7.159 1.00 52.43 H new ATOM 0 HB3 PHE A 42 2.463 1.527 -6.296 1.00 52.43 H new ATOM 0 HD1 PHE A 42 3.982 3.432 -8.197 1.00 12.42 H new ATOM 0 HD2 PHE A 42 1.232 0.255 -8.889 1.00 54.05 H new ATOM 0 HE1 PHE A 42 3.301 4.486 -10.310 1.00 32.41 H new ATOM 0 HE2 PHE A 42 0.550 1.303 -11.004 1.00 11.34 H new ATOM 0 HZ PHE A 42 1.579 3.424 -11.716 1.00 2.13 H new ATOM 649 N GLN A 43 4.940 1.697 -4.402 1.00 70.13 N ATOM 650 CA GLN A 43 5.222 1.309 -3.025 1.00 73.44 C ATOM 651 C GLN A 43 4.483 2.212 -2.043 1.00 72.42 C ATOM 652 O GLN A 43 4.496 3.434 -2.178 1.00 52.31 O ATOM 653 CB GLN A 43 6.726 1.364 -2.755 1.00 43.42 C ATOM 654 CG GLN A 43 7.366 -0.005 -2.590 1.00 11.32 C ATOM 655 CD GLN A 43 8.774 -0.062 -3.148 1.00 61.32 C ATOM 656 OE1 GLN A 43 9.746 -0.175 -2.401 1.00 64.32 O ATOM 657 NE2 GLN A 43 8.891 0.015 -4.469 1.00 2.23 N ATOM 0 H GLN A 43 4.823 2.701 -4.542 1.00 70.13 H new ATOM 0 HA GLN A 43 4.872 0.286 -2.883 1.00 73.44 H new ATOM 0 HB2 GLN A 43 7.215 1.888 -3.576 1.00 43.42 H new ATOM 0 HB3 GLN A 43 6.903 1.950 -1.853 1.00 43.42 H new ATOM 0 HG2 GLN A 43 7.388 -0.267 -1.532 1.00 11.32 H new ATOM 0 HG3 GLN A 43 6.750 -0.752 -3.091 1.00 11.32 H new ATOM 0 HE21 GLN A 43 8.058 0.108 -5.050 1.00 2.23 H new ATOM 0 HE22 GLN A 43 9.814 -0.019 -4.902 1.00 2.23 H new ATOM 666 N GLY A 44 3.838 1.600 -1.054 1.00 23.20 N ATOM 667 CA GLY A 44 3.102 2.364 -0.064 1.00 22.11 C ATOM 668 C GLY A 44 2.366 1.478 0.922 1.00 41.51 C ATOM 669 O GLY A 44 2.627 0.278 1.003 1.00 35.22 O ATOM 0 H GLY A 44 3.812 0.589 -0.921 1.00 23.20 H new ATOM 0 HA2 GLY A 44 3.792 3.011 0.478 1.00 22.11 H new ATOM 0 HA3 GLY A 44 2.387 3.013 -0.569 1.00 22.11 H new ATOM 673 N TYR A 45 1.446 2.071 1.674 1.00 13.31 N ATOM 674 CA TYR A 45 0.672 1.329 2.663 1.00 45.14 C ATOM 675 C TYR A 45 -0.824 1.465 2.398 1.00 61.12 C ATOM 676 O TYR A 45 -1.306 2.537 2.031 1.00 4.33 O ATOM 677 CB TYR A 45 0.999 1.824 4.073 1.00 61.23 C ATOM 678 CG TYR A 45 0.698 3.290 4.285 1.00 54.21 C ATOM 679 CD1 TYR A 45 1.560 4.272 3.815 1.00 43.44 C ATOM 680 CD2 TYR A 45 -0.451 3.693 4.955 1.00 10.30 C ATOM 681 CE1 TYR A 45 1.289 5.613 4.007 1.00 11.21 C ATOM 682 CE2 TYR A 45 -0.731 5.032 5.151 1.00 72.12 C ATOM 683 CZ TYR A 45 0.142 5.988 4.675 1.00 20.14 C ATOM 684 OH TYR A 45 -0.133 7.322 4.868 1.00 45.51 O ATOM 0 H TYR A 45 1.218 3.064 1.618 1.00 13.31 H new ATOM 0 HA TYR A 45 0.942 0.276 2.583 1.00 45.14 H new ATOM 0 HB2 TYR A 45 0.432 1.237 4.796 1.00 61.23 H new ATOM 0 HB3 TYR A 45 2.055 1.646 4.276 1.00 61.23 H new ATOM 0 HD1 TYR A 45 2.458 3.982 3.290 1.00 43.44 H new ATOM 0 HD2 TYR A 45 -1.137 2.947 5.329 1.00 10.30 H new ATOM 0 HE1 TYR A 45 1.971 6.363 3.636 1.00 11.21 H new ATOM 0 HE2 TYR A 45 -1.628 5.328 5.674 1.00 72.12 H new ATOM 0 HH TYR A 45 -0.979 7.415 5.354 1.00 45.51 H new ATOM 694 N ILE A 46 -1.553 0.370 2.587 1.00 51.43 N ATOM 695 CA ILE A 46 -2.995 0.367 2.370 1.00 24.24 C ATOM 696 C ILE A 46 -3.726 -0.258 3.553 1.00 14.25 C ATOM 697 O ILE A 46 -3.410 -1.370 3.974 1.00 4.23 O ATOM 698 CB ILE A 46 -3.369 -0.398 1.087 1.00 34.24 C ATOM 699 CG1 ILE A 46 -2.523 0.091 -0.090 1.00 15.32 C ATOM 700 CG2 ILE A 46 -4.852 -0.233 0.786 1.00 24.43 C ATOM 701 CD1 ILE A 46 -2.777 -0.668 -1.373 1.00 54.13 C ATOM 0 H ILE A 46 -1.170 -0.525 2.890 1.00 51.43 H new ATOM 0 HA ILE A 46 -3.302 1.408 2.265 1.00 24.24 H new ATOM 0 HB ILE A 46 -3.165 -1.458 1.240 1.00 34.24 H new ATOM 0 HG12 ILE A 46 -2.725 1.149 -0.257 1.00 15.32 H new ATOM 0 HG13 ILE A 46 -1.468 0.005 0.171 1.00 15.32 H new ATOM 0 HG21 ILE A 46 -5.102 -0.779 -0.124 1.00 24.43 H new ATOM 0 HG22 ILE A 46 -5.438 -0.625 1.617 1.00 24.43 H new ATOM 0 HG23 ILE A 46 -5.080 0.824 0.649 1.00 24.43 H new ATOM 0 HD11 ILE A 46 -2.143 -0.268 -2.164 1.00 54.13 H new ATOM 0 HD12 ILE A 46 -2.548 -1.723 -1.223 1.00 54.13 H new ATOM 0 HD13 ILE A 46 -3.824 -0.561 -1.658 1.00 54.13 H new ATOM 713 N GLU A 47 -4.708 0.465 4.084 1.00 41.11 N ATOM 714 CA GLU A 47 -5.486 -0.020 5.218 1.00 3.41 C ATOM 715 C GLU A 47 -6.847 -0.538 4.763 1.00 41.33 C ATOM 716 O GLU A 47 -7.647 0.205 4.195 1.00 41.05 O ATOM 717 CB GLU A 47 -5.671 1.094 6.251 1.00 31.10 C ATOM 718 CG GLU A 47 -4.403 1.883 6.529 1.00 0.50 C ATOM 719 CD GLU A 47 -4.172 2.113 8.010 1.00 45.01 C ATOM 720 OE1 GLU A 47 -5.167 2.247 8.752 1.00 75.34 O ATOM 721 OE2 GLU A 47 -2.996 2.159 8.427 1.00 5.31 O ATOM 0 H GLU A 47 -4.983 1.388 3.747 1.00 41.11 H new ATOM 0 HA GLU A 47 -4.938 -0.844 5.676 1.00 3.41 H new ATOM 0 HB2 GLU A 47 -6.445 1.777 5.901 1.00 31.10 H new ATOM 0 HB3 GLU A 47 -6.029 0.658 7.183 1.00 31.10 H new ATOM 0 HG2 GLU A 47 -3.549 1.351 6.110 1.00 0.50 H new ATOM 0 HG3 GLU A 47 -4.459 2.845 6.020 1.00 0.50 H new ATOM 728 N MET A 48 -7.102 -1.817 5.016 1.00 25.23 N ATOM 729 CA MET A 48 -8.366 -2.435 4.633 1.00 3.11 C ATOM 730 C MET A 48 -9.460 -2.107 5.644 1.00 3.41 C ATOM 731 O MET A 48 -9.225 -1.389 6.617 1.00 35.41 O ATOM 732 CB MET A 48 -8.202 -3.951 4.516 1.00 60.53 C ATOM 733 CG MET A 48 -7.408 -4.384 3.294 1.00 71.22 C ATOM 734 SD MET A 48 -8.426 -5.227 2.067 1.00 41.22 S ATOM 735 CE MET A 48 -8.954 -3.844 1.058 1.00 70.20 C ATOM 0 H MET A 48 -6.450 -2.446 5.485 1.00 25.23 H new ATOM 0 HA MET A 48 -8.659 -2.033 3.663 1.00 3.11 H new ATOM 0 HB2 MET A 48 -7.707 -4.325 5.412 1.00 60.53 H new ATOM 0 HB3 MET A 48 -9.188 -4.413 4.481 1.00 60.53 H new ATOM 0 HG2 MET A 48 -6.945 -3.509 2.837 1.00 71.22 H new ATOM 0 HG3 MET A 48 -6.600 -5.045 3.606 1.00 71.22 H new ATOM 0 HE1 MET A 48 -8.939 -4.133 0.007 1.00 70.20 H new ATOM 0 HE2 MET A 48 -9.966 -3.553 1.340 1.00 70.20 H new ATOM 0 HE3 MET A 48 -8.279 -3.002 1.212 1.00 70.20 H new ATOM 745 N LYS A 49 -10.656 -2.635 5.408 1.00 65.42 N ATOM 746 CA LYS A 49 -11.786 -2.400 6.298 1.00 52.12 C ATOM 747 C LYS A 49 -11.416 -2.718 7.743 1.00 14.21 C ATOM 748 O LYS A 49 -11.494 -1.856 8.619 1.00 51.22 O ATOM 749 CB LYS A 49 -12.985 -3.249 5.868 1.00 11.34 C ATOM 750 CG LYS A 49 -14.293 -2.477 5.826 1.00 44.02 C ATOM 751 CD LYS A 49 -15.287 -3.117 4.871 1.00 1.15 C ATOM 752 CE LYS A 49 -15.733 -4.484 5.366 1.00 71.42 C ATOM 753 NZ LYS A 49 -17.171 -4.493 5.752 1.00 54.44 N ATOM 0 H LYS A 49 -10.868 -3.229 4.607 1.00 65.42 H new ATOM 0 HA LYS A 49 -12.054 -1.345 6.234 1.00 52.12 H new ATOM 0 HB2 LYS A 49 -12.788 -3.668 4.881 1.00 11.34 H new ATOM 0 HB3 LYS A 49 -13.090 -4.089 6.555 1.00 11.34 H new ATOM 0 HG2 LYS A 49 -14.724 -2.434 6.826 1.00 44.02 H new ATOM 0 HG3 LYS A 49 -14.100 -1.449 5.518 1.00 44.02 H new ATOM 0 HD2 LYS A 49 -16.156 -2.468 4.759 1.00 1.15 H new ATOM 0 HD3 LYS A 49 -14.834 -3.216 3.885 1.00 1.15 H new ATOM 0 HE2 LYS A 49 -15.562 -5.226 4.586 1.00 71.42 H new ATOM 0 HE3 LYS A 49 -15.125 -4.776 6.223 1.00 71.42 H new ATOM 0 HZ1 LYS A 49 -17.435 -5.443 6.084 1.00 54.44 H new ATOM 0 HZ2 LYS A 49 -17.330 -3.803 6.514 1.00 54.44 H new ATOM 0 HZ3 LYS A 49 -17.753 -4.240 4.928 1.00 54.44 H new ATOM 767 N LYS A 50 -11.013 -3.960 7.986 1.00 23.11 N ATOM 768 CA LYS A 50 -10.628 -4.392 9.325 1.00 43.15 C ATOM 769 C LYS A 50 -10.239 -5.867 9.330 1.00 51.14 C ATOM 770 O LYS A 50 -9.060 -6.207 9.423 1.00 63.44 O ATOM 771 CB LYS A 50 -11.774 -4.152 10.310 1.00 71.24 C ATOM 772 CG LYS A 50 -11.481 -3.067 11.332 1.00 70.54 C ATOM 773 CD LYS A 50 -12.750 -2.591 12.018 1.00 0.31 C ATOM 774 CE LYS A 50 -12.462 -2.053 13.411 1.00 4.13 C ATOM 775 NZ LYS A 50 -12.421 -3.140 14.428 1.00 32.11 N ATOM 0 H LYS A 50 -10.944 -4.686 7.273 1.00 23.11 H new ATOM 0 HA LYS A 50 -9.763 -3.805 9.634 1.00 43.15 H new ATOM 0 HB2 LYS A 50 -12.671 -3.881 9.752 1.00 71.24 H new ATOM 0 HB3 LYS A 50 -11.993 -5.083 10.833 1.00 71.24 H new ATOM 0 HG2 LYS A 50 -10.784 -3.447 12.078 1.00 70.54 H new ATOM 0 HG3 LYS A 50 -10.994 -2.225 10.841 1.00 70.54 H new ATOM 0 HD2 LYS A 50 -13.220 -1.813 11.416 1.00 0.31 H new ATOM 0 HD3 LYS A 50 -13.460 -3.415 12.085 1.00 0.31 H new ATOM 0 HE2 LYS A 50 -11.509 -1.524 13.406 1.00 4.13 H new ATOM 0 HE3 LYS A 50 -13.228 -1.327 13.686 1.00 4.13 H new ATOM 0 HZ1 LYS A 50 -12.026 -2.770 15.316 1.00 32.11 H new ATOM 0 HZ2 LYS A 50 -13.384 -3.493 14.598 1.00 32.11 H new ATOM 0 HZ3 LYS A 50 -11.823 -3.917 14.081 1.00 32.11 H new ATOM 789 N ARG A 51 -11.238 -6.738 9.228 1.00 41.34 N ATOM 790 CA ARG A 51 -11.000 -8.176 9.220 1.00 1.01 C ATOM 791 C ARG A 51 -10.810 -8.688 7.795 1.00 35.33 C ATOM 792 O ARG A 51 -11.384 -9.707 7.408 1.00 22.34 O ATOM 793 CB ARG A 51 -12.164 -8.911 9.887 1.00 12.41 C ATOM 794 CG ARG A 51 -11.740 -10.147 10.663 1.00 1.44 C ATOM 795 CD ARG A 51 -11.764 -9.898 12.163 1.00 15.14 C ATOM 796 NE ARG A 51 -11.421 -11.097 12.923 1.00 61.23 N ATOM 797 CZ ARG A 51 -11.066 -11.080 14.203 1.00 71.13 C ATOM 798 NH1 ARG A 51 -11.009 -9.932 14.863 1.00 51.21 N ATOM 799 NH2 ARG A 51 -10.768 -12.214 14.825 1.00 51.50 N ATOM 0 H ARG A 51 -12.220 -6.473 9.150 1.00 41.34 H new ATOM 0 HA ARG A 51 -10.087 -8.371 9.782 1.00 1.01 H new ATOM 0 HB2 ARG A 51 -12.675 -8.226 10.563 1.00 12.41 H new ATOM 0 HB3 ARG A 51 -12.885 -9.202 9.123 1.00 12.41 H new ATOM 0 HG2 ARG A 51 -12.404 -10.976 10.420 1.00 1.44 H new ATOM 0 HG3 ARG A 51 -10.736 -10.443 10.358 1.00 1.44 H new ATOM 0 HD2 ARG A 51 -11.063 -9.100 12.409 1.00 15.14 H new ATOM 0 HD3 ARG A 51 -12.755 -9.554 12.457 1.00 15.14 H new ATOM 0 HE ARG A 51 -11.456 -11.997 12.445 1.00 61.23 H new ATOM 0 HH11 ARG A 51 -11.238 -9.059 14.388 1.00 51.21 H new ATOM 0 HH12 ARG A 51 -10.736 -9.922 15.846 1.00 51.21 H new ATOM 0 HH21 ARG A 51 -10.811 -13.099 14.320 1.00 51.50 H new ATOM 0 HH22 ARG A 51 -10.495 -12.200 15.808 1.00 51.50 H new ATOM 813 N THR A 52 -10.002 -7.974 7.018 1.00 74.44 N ATOM 814 CA THR A 52 -9.739 -8.355 5.636 1.00 64.13 C ATOM 815 C THR A 52 -8.344 -8.952 5.487 1.00 41.05 C ATOM 816 O THR A 52 -7.341 -8.272 5.703 1.00 21.15 O ATOM 817 CB THR A 52 -9.873 -7.150 4.686 1.00 73.24 C ATOM 818 OG1 THR A 52 -10.633 -6.113 5.315 1.00 13.40 O ATOM 819 CG2 THR A 52 -10.546 -7.560 3.384 1.00 2.00 C ATOM 0 H THR A 52 -9.519 -7.129 7.322 1.00 74.44 H new ATOM 0 HA THR A 52 -10.483 -9.105 5.367 1.00 64.13 H new ATOM 0 HB THR A 52 -8.873 -6.781 4.459 1.00 73.24 H new ATOM 0 HG1 THR A 52 -11.113 -5.600 4.632 1.00 13.40 H new ATOM 0 HG21 THR A 52 -10.630 -6.693 2.729 1.00 2.00 H new ATOM 0 HG22 THR A 52 -9.950 -8.329 2.893 1.00 2.00 H new ATOM 0 HG23 THR A 52 -11.541 -7.952 3.596 1.00 2.00 H new ATOM 827 N SER A 53 -8.287 -10.227 5.114 1.00 15.31 N ATOM 828 CA SER A 53 -7.015 -10.916 4.939 1.00 64.22 C ATOM 829 C SER A 53 -6.343 -10.493 3.636 1.00 64.20 C ATOM 830 O SER A 53 -6.878 -9.678 2.884 1.00 42.32 O ATOM 831 CB SER A 53 -7.226 -12.431 4.948 1.00 24.45 C ATOM 832 OG SER A 53 -8.455 -12.779 4.336 1.00 52.02 O ATOM 0 H SER A 53 -9.108 -10.803 4.927 1.00 15.31 H new ATOM 0 HA SER A 53 -6.364 -10.642 5.769 1.00 64.22 H new ATOM 0 HB2 SER A 53 -6.404 -12.919 4.424 1.00 24.45 H new ATOM 0 HB3 SER A 53 -7.211 -12.797 5.975 1.00 24.45 H new ATOM 0 HG SER A 53 -8.565 -13.753 4.353 1.00 52.02 H new ATOM 838 N LEU A 54 -5.166 -11.053 3.376 1.00 75.24 N ATOM 839 CA LEU A 54 -4.419 -10.735 2.164 1.00 73.34 C ATOM 840 C LEU A 54 -5.289 -10.917 0.924 1.00 14.11 C ATOM 841 O LEU A 54 -5.107 -10.230 -0.080 1.00 52.43 O ATOM 842 CB LEU A 54 -3.175 -11.619 2.061 1.00 31.33 C ATOM 843 CG LEU A 54 -2.250 -11.342 0.876 1.00 54.05 C ATOM 844 CD1 LEU A 54 -1.615 -9.966 1.004 1.00 30.34 C ATOM 845 CD2 LEU A 54 -1.180 -12.418 0.771 1.00 23.31 C ATOM 0 H LEU A 54 -4.709 -11.729 3.988 1.00 75.24 H new ATOM 0 HA LEU A 54 -4.112 -9.691 2.220 1.00 73.34 H new ATOM 0 HB2 LEU A 54 -2.599 -11.509 2.979 1.00 31.33 H new ATOM 0 HB3 LEU A 54 -3.496 -12.659 2.010 1.00 31.33 H new ATOM 0 HG LEU A 54 -2.846 -11.361 -0.037 1.00 54.05 H new ATOM 0 HD11 LEU A 54 -0.960 -9.787 0.151 1.00 30.34 H new ATOM 0 HD12 LEU A 54 -2.396 -9.206 1.028 1.00 30.34 H new ATOM 0 HD13 LEU A 54 -1.034 -9.918 1.925 1.00 30.34 H new ATOM 0 HD21 LEU A 54 -0.531 -12.204 -0.078 1.00 23.31 H new ATOM 0 HD22 LEU A 54 -0.588 -12.433 1.686 1.00 23.31 H new ATOM 0 HD23 LEU A 54 -1.654 -13.390 0.630 1.00 23.31 H new ATOM 857 N ALA A 55 -6.237 -11.845 1.003 1.00 22.54 N ATOM 858 CA ALA A 55 -7.138 -12.114 -0.110 1.00 70.33 C ATOM 859 C ALA A 55 -7.837 -10.840 -0.571 1.00 43.42 C ATOM 860 O ALA A 55 -8.156 -10.686 -1.749 1.00 62.34 O ATOM 861 CB ALA A 55 -8.163 -13.168 0.283 1.00 51.32 C ATOM 0 H ALA A 55 -6.401 -12.423 1.827 1.00 22.54 H new ATOM 0 HA ALA A 55 -6.544 -12.493 -0.942 1.00 70.33 H new ATOM 0 HB1 ALA A 55 -8.829 -13.359 -0.558 1.00 51.32 H new ATOM 0 HB2 ALA A 55 -7.650 -14.090 0.556 1.00 51.32 H new ATOM 0 HB3 ALA A 55 -8.745 -12.811 1.133 1.00 51.32 H new ATOM 867 N GLY A 56 -8.072 -9.927 0.367 1.00 53.03 N ATOM 868 CA GLY A 56 -8.733 -8.678 0.037 1.00 42.44 C ATOM 869 C GLY A 56 -7.849 -7.752 -0.775 1.00 52.45 C ATOM 870 O GLY A 56 -8.285 -7.189 -1.780 1.00 33.54 O ATOM 0 H GLY A 56 -7.816 -10.030 1.349 1.00 53.03 H new ATOM 0 HA2 GLY A 56 -9.644 -8.889 -0.523 1.00 42.44 H new ATOM 0 HA3 GLY A 56 -9.033 -8.175 0.956 1.00 42.44 H new ATOM 874 N MET A 57 -6.604 -7.591 -0.339 1.00 71.13 N ATOM 875 CA MET A 57 -5.657 -6.726 -1.033 1.00 53.22 C ATOM 876 C MET A 57 -5.198 -7.361 -2.342 1.00 32.33 C ATOM 877 O MET A 57 -5.211 -6.721 -3.393 1.00 40.21 O ATOM 878 CB MET A 57 -4.448 -6.438 -0.141 1.00 14.40 C ATOM 879 CG MET A 57 -4.809 -5.755 1.169 1.00 64.42 C ATOM 880 SD MET A 57 -4.614 -3.964 1.095 1.00 33.34 S ATOM 881 CE MET A 57 -5.945 -3.525 -0.020 1.00 11.20 C ATOM 0 H MET A 57 -6.227 -8.048 0.491 1.00 71.13 H new ATOM 0 HA MET A 57 -6.162 -5.788 -1.263 1.00 53.22 H new ATOM 0 HB2 MET A 57 -3.935 -7.375 0.076 1.00 14.40 H new ATOM 0 HB3 MET A 57 -3.745 -5.809 -0.687 1.00 14.40 H new ATOM 0 HG2 MET A 57 -5.841 -5.994 1.427 1.00 64.42 H new ATOM 0 HG3 MET A 57 -4.181 -6.152 1.967 1.00 64.42 H new ATOM 0 HE1 MET A 57 -6.448 -2.631 0.348 1.00 11.20 H new ATOM 0 HE2 MET A 57 -5.539 -3.330 -1.013 1.00 11.20 H new ATOM 0 HE3 MET A 57 -6.659 -4.347 -0.075 1.00 11.20 H new ATOM 891 N LYS A 58 -4.793 -8.625 -2.270 1.00 44.44 N ATOM 892 CA LYS A 58 -4.330 -9.348 -3.449 1.00 11.21 C ATOM 893 C LYS A 58 -5.406 -9.371 -4.530 1.00 43.32 C ATOM 894 O LYS A 58 -5.105 -9.495 -5.718 1.00 3.44 O ATOM 895 CB LYS A 58 -3.939 -10.779 -3.073 1.00 42.14 C ATOM 896 CG LYS A 58 -2.719 -11.292 -3.819 1.00 40.52 C ATOM 897 CD LYS A 58 -1.702 -11.904 -2.871 1.00 34.54 C ATOM 898 CE LYS A 58 -2.240 -13.169 -2.219 1.00 31.13 C ATOM 899 NZ LYS A 58 -1.162 -14.164 -1.966 1.00 24.33 N ATOM 0 H LYS A 58 -4.776 -9.170 -1.408 1.00 44.44 H new ATOM 0 HA LYS A 58 -3.455 -8.830 -3.843 1.00 11.21 H new ATOM 0 HB2 LYS A 58 -3.745 -10.824 -2.001 1.00 42.14 H new ATOM 0 HB3 LYS A 58 -4.781 -11.441 -3.272 1.00 42.14 H new ATOM 0 HG2 LYS A 58 -3.027 -12.036 -4.553 1.00 40.52 H new ATOM 0 HG3 LYS A 58 -2.257 -10.473 -4.370 1.00 40.52 H new ATOM 0 HD2 LYS A 58 -0.787 -12.135 -3.417 1.00 34.54 H new ATOM 0 HD3 LYS A 58 -1.439 -11.179 -2.100 1.00 34.54 H new ATOM 0 HE2 LYS A 58 -2.727 -12.914 -1.278 1.00 31.13 H new ATOM 0 HE3 LYS A 58 -3.001 -13.613 -2.861 1.00 31.13 H new ATOM 0 HZ1 LYS A 58 -1.470 -14.830 -1.229 1.00 24.33 H new ATOM 0 HZ2 LYS A 58 -0.959 -14.686 -2.842 1.00 24.33 H new ATOM 0 HZ3 LYS A 58 -0.302 -13.672 -1.649 1.00 24.33 H new ATOM 913 N LYS A 59 -6.661 -9.249 -4.112 1.00 70.12 N ATOM 914 CA LYS A 59 -7.782 -9.253 -5.044 1.00 52.14 C ATOM 915 C LYS A 59 -7.692 -8.074 -6.008 1.00 54.10 C ATOM 916 O LYS A 59 -8.111 -8.169 -7.163 1.00 21.44 O ATOM 917 CB LYS A 59 -9.107 -9.201 -4.281 1.00 33.34 C ATOM 918 CG LYS A 59 -9.964 -10.442 -4.464 1.00 40.04 C ATOM 919 CD LYS A 59 -10.966 -10.601 -3.333 1.00 4.42 C ATOM 920 CE LYS A 59 -11.996 -11.674 -3.647 1.00 55.14 C ATOM 921 NZ LYS A 59 -13.187 -11.577 -2.758 1.00 21.31 N ATOM 0 H LYS A 59 -6.928 -9.146 -3.133 1.00 70.12 H new ATOM 0 HA LYS A 59 -7.738 -10.176 -5.621 1.00 52.14 H new ATOM 0 HB2 LYS A 59 -8.900 -9.066 -3.219 1.00 33.34 H new ATOM 0 HB3 LYS A 59 -9.672 -8.328 -4.609 1.00 33.34 H new ATOM 0 HG2 LYS A 59 -10.494 -10.382 -5.415 1.00 40.04 H new ATOM 0 HG3 LYS A 59 -9.324 -11.323 -4.511 1.00 40.04 H new ATOM 0 HD2 LYS A 59 -10.440 -10.858 -2.413 1.00 4.42 H new ATOM 0 HD3 LYS A 59 -11.471 -9.651 -3.157 1.00 4.42 H new ATOM 0 HE2 LYS A 59 -12.310 -11.582 -4.687 1.00 55.14 H new ATOM 0 HE3 LYS A 59 -11.540 -12.658 -3.537 1.00 55.14 H new ATOM 0 HZ1 LYS A 59 -13.866 -12.326 -3.004 1.00 21.31 H new ATOM 0 HZ2 LYS A 59 -12.891 -11.690 -1.767 1.00 21.31 H new ATOM 0 HZ3 LYS A 59 -13.637 -10.648 -2.881 1.00 21.31 H new ATOM 935 N LEU A 60 -7.143 -6.964 -5.528 1.00 13.32 N ATOM 936 CA LEU A 60 -6.997 -5.766 -6.348 1.00 11.14 C ATOM 937 C LEU A 60 -5.765 -5.865 -7.242 1.00 32.04 C ATOM 938 O LEU A 60 -5.790 -5.441 -8.397 1.00 65.35 O ATOM 939 CB LEU A 60 -6.898 -4.525 -5.459 1.00 1.21 C ATOM 940 CG LEU A 60 -8.198 -4.067 -4.798 1.00 34.14 C ATOM 941 CD1 LEU A 60 -8.543 -4.965 -3.620 1.00 21.15 C ATOM 942 CD2 LEU A 60 -8.088 -2.617 -4.351 1.00 4.25 C ATOM 0 H LEU A 60 -6.792 -6.868 -4.575 1.00 13.32 H new ATOM 0 HA LEU A 60 -7.878 -5.681 -6.984 1.00 11.14 H new ATOM 0 HB2 LEU A 60 -6.165 -4.721 -4.676 1.00 1.21 H new ATOM 0 HB3 LEU A 60 -6.510 -3.702 -6.060 1.00 1.21 H new ATOM 0 HG LEU A 60 -9.001 -4.140 -5.532 1.00 34.14 H new ATOM 0 HD11 LEU A 60 -9.471 -4.624 -3.162 1.00 21.15 H new ATOM 0 HD12 LEU A 60 -8.666 -5.991 -3.968 1.00 21.15 H new ATOM 0 HD13 LEU A 60 -7.739 -4.925 -2.885 1.00 21.15 H new ATOM 0 HD21 LEU A 60 -9.023 -2.309 -3.883 1.00 4.25 H new ATOM 0 HD22 LEU A 60 -7.273 -2.518 -3.634 1.00 4.25 H new ATOM 0 HD23 LEU A 60 -7.889 -1.984 -5.216 1.00 4.25 H new ATOM 954 N ILE A 61 -4.691 -6.429 -6.700 1.00 10.35 N ATOM 955 CA ILE A 61 -3.451 -6.586 -7.449 1.00 71.34 C ATOM 956 C ILE A 61 -2.785 -7.922 -7.136 1.00 11.20 C ATOM 957 O ILE A 61 -1.798 -7.995 -6.404 1.00 10.12 O ATOM 958 CB ILE A 61 -2.460 -5.447 -7.145 1.00 32.44 C ATOM 959 CG1 ILE A 61 -3.143 -4.089 -7.315 1.00 10.30 C ATOM 960 CG2 ILE A 61 -1.241 -5.550 -8.048 1.00 64.33 C ATOM 961 CD1 ILE A 61 -3.801 -3.581 -6.051 1.00 54.34 C ATOM 0 H ILE A 61 -4.655 -6.785 -5.745 1.00 10.35 H new ATOM 0 HA ILE A 61 -3.715 -6.553 -8.506 1.00 71.34 H new ATOM 0 HB ILE A 61 -2.129 -5.539 -6.110 1.00 32.44 H new ATOM 0 HG12 ILE A 61 -2.405 -3.360 -7.649 1.00 10.30 H new ATOM 0 HG13 ILE A 61 -3.895 -4.165 -8.101 1.00 10.30 H new ATOM 0 HG21 ILE A 61 -0.550 -4.738 -7.821 1.00 64.33 H new ATOM 0 HG22 ILE A 61 -0.745 -6.506 -7.881 1.00 64.33 H new ATOM 0 HG23 ILE A 61 -1.553 -5.480 -9.090 1.00 64.33 H new ATOM 0 HD11 ILE A 61 -4.265 -2.614 -6.246 1.00 54.34 H new ATOM 0 HD12 ILE A 61 -4.563 -4.290 -5.727 1.00 54.34 H new ATOM 0 HD13 ILE A 61 -3.050 -3.472 -5.268 1.00 54.34 H new ATOM 973 N PRO A 62 -3.335 -9.005 -7.704 1.00 73.12 N ATOM 974 CA PRO A 62 -2.809 -10.358 -7.502 1.00 74.41 C ATOM 975 C PRO A 62 -1.461 -10.564 -8.184 1.00 73.43 C ATOM 976 O PRO A 62 -1.330 -10.373 -9.392 1.00 53.14 O ATOM 977 CB PRO A 62 -3.875 -11.252 -8.142 1.00 64.20 C ATOM 978 CG PRO A 62 -4.538 -10.385 -9.155 1.00 51.32 C ATOM 979 CD PRO A 62 -4.513 -8.992 -8.588 1.00 62.24 C ATOM 0 HA PRO A 62 -2.630 -10.573 -6.448 1.00 74.41 H new ATOM 0 HB2 PRO A 62 -3.428 -12.131 -8.605 1.00 64.20 H new ATOM 0 HB3 PRO A 62 -4.588 -11.611 -7.400 1.00 64.20 H new ATOM 0 HG2 PRO A 62 -4.012 -10.428 -10.109 1.00 51.32 H new ATOM 0 HG3 PRO A 62 -5.561 -10.713 -9.340 1.00 51.32 H new ATOM 0 HD2 PRO A 62 -4.419 -8.241 -9.372 1.00 62.24 H new ATOM 0 HD3 PRO A 62 -5.426 -8.766 -8.038 1.00 62.24 H new ATOM 987 N GLY A 63 -0.461 -10.957 -7.401 1.00 45.54 N ATOM 988 CA GLY A 63 0.865 -11.182 -7.948 1.00 74.23 C ATOM 989 C GLY A 63 1.923 -10.335 -7.271 1.00 43.43 C ATOM 990 O GLY A 63 3.082 -10.737 -7.175 1.00 62.12 O ATOM 0 H GLY A 63 -0.545 -11.124 -6.398 1.00 45.54 H new ATOM 0 HA2 GLY A 63 1.124 -12.235 -7.842 1.00 74.23 H new ATOM 0 HA3 GLY A 63 0.856 -10.962 -9.016 1.00 74.23 H new ATOM 994 N ALA A 64 1.525 -9.157 -6.802 1.00 2.30 N ATOM 995 CA ALA A 64 2.448 -8.251 -6.130 1.00 43.51 C ATOM 996 C ALA A 64 2.898 -8.820 -4.789 1.00 14.33 C ATOM 997 O ALA A 64 2.329 -9.794 -4.294 1.00 51.24 O ATOM 998 CB ALA A 64 1.802 -6.887 -5.937 1.00 42.42 C ATOM 0 H ALA A 64 0.569 -8.808 -6.875 1.00 2.30 H new ATOM 0 HA ALA A 64 3.330 -8.137 -6.761 1.00 43.51 H new ATOM 0 HB1 ALA A 64 2.503 -6.221 -5.434 1.00 42.42 H new ATOM 0 HB2 ALA A 64 1.537 -6.469 -6.908 1.00 42.42 H new ATOM 0 HB3 ALA A 64 0.903 -6.993 -5.330 1.00 42.42 H new ATOM 1004 N HIS A 65 3.922 -8.206 -4.204 1.00 71.50 N ATOM 1005 CA HIS A 65 4.448 -8.653 -2.919 1.00 14.23 C ATOM 1006 C HIS A 65 3.819 -7.866 -1.772 1.00 63.51 C ATOM 1007 O HIS A 65 4.041 -6.663 -1.636 1.00 71.04 O ATOM 1008 CB HIS A 65 5.968 -8.499 -2.885 1.00 24.22 C ATOM 1009 CG HIS A 65 6.634 -9.353 -1.850 1.00 32.21 C ATOM 1010 ND1 HIS A 65 7.761 -8.959 -1.160 1.00 14.12 N ATOM 1011 CD2 HIS A 65 6.324 -10.587 -1.388 1.00 32.04 C ATOM 1012 CE1 HIS A 65 8.116 -9.914 -0.319 1.00 51.10 C ATOM 1013 NE2 HIS A 65 7.260 -10.913 -0.437 1.00 50.13 N ATOM 0 H HIS A 65 4.404 -7.398 -4.599 1.00 71.50 H new ATOM 0 HA HIS A 65 4.195 -9.706 -2.796 1.00 14.23 H new ATOM 0 HB2 HIS A 65 6.372 -8.750 -3.866 1.00 24.22 H new ATOM 0 HB3 HIS A 65 6.215 -7.454 -2.696 1.00 24.22 H new ATOM 0 HD2 HIS A 65 5.495 -11.201 -1.708 1.00 32.04 H new ATOM 0 HE1 HIS A 65 8.962 -9.883 0.351 1.00 51.10 H new ATOM 0 HE2 HIS A 65 7.289 -11.785 0.092 1.00 50.13 H new ATOM 1021 N PHE A 66 3.034 -8.554 -0.950 1.00 31.31 N ATOM 1022 CA PHE A 66 2.372 -7.920 0.184 1.00 11.11 C ATOM 1023 C PHE A 66 2.960 -8.414 1.503 1.00 54.41 C ATOM 1024 O PHE A 66 3.573 -9.479 1.560 1.00 4.51 O ATOM 1025 CB PHE A 66 0.868 -8.200 0.146 1.00 22.21 C ATOM 1026 CG PHE A 66 0.072 -7.112 -0.515 1.00 11.54 C ATOM 1027 CD1 PHE A 66 0.013 -7.019 -1.896 1.00 4.52 C ATOM 1028 CD2 PHE A 66 -0.618 -6.181 0.246 1.00 44.34 C ATOM 1029 CE1 PHE A 66 -0.719 -6.018 -2.507 1.00 62.10 C ATOM 1030 CE2 PHE A 66 -1.352 -5.178 -0.360 1.00 23.40 C ATOM 1031 CZ PHE A 66 -1.401 -5.096 -1.738 1.00 34.21 C ATOM 0 H PHE A 66 2.841 -9.551 -1.048 1.00 31.31 H new ATOM 0 HA PHE A 66 2.536 -6.845 0.114 1.00 11.11 H new ATOM 0 HB2 PHE A 66 0.694 -9.138 -0.382 1.00 22.21 H new ATOM 0 HB3 PHE A 66 0.506 -8.336 1.165 1.00 22.21 H new ATOM 0 HD1 PHE A 66 0.545 -7.737 -2.502 1.00 4.52 H new ATOM 0 HD2 PHE A 66 -0.582 -6.240 1.324 1.00 44.34 H new ATOM 0 HE1 PHE A 66 -0.757 -5.957 -3.585 1.00 62.10 H new ATOM 0 HE2 PHE A 66 -1.886 -4.459 0.244 1.00 23.40 H new ATOM 0 HZ PHE A 66 -1.972 -4.312 -2.213 1.00 34.21 H new ATOM 1041 N GLU A 67 2.767 -7.631 2.560 1.00 51.42 N ATOM 1042 CA GLU A 67 3.279 -7.988 3.878 1.00 41.55 C ATOM 1043 C GLU A 67 2.377 -7.438 4.979 1.00 22.00 C ATOM 1044 O GLU A 67 2.278 -6.226 5.169 1.00 12.32 O ATOM 1045 CB GLU A 67 4.703 -7.456 4.057 1.00 71.52 C ATOM 1046 CG GLU A 67 5.769 -8.536 3.982 1.00 63.25 C ATOM 1047 CD GLU A 67 7.176 -7.971 4.020 1.00 13.14 C ATOM 1048 OE1 GLU A 67 7.588 -7.339 3.025 1.00 63.40 O ATOM 1049 OE2 GLU A 67 7.864 -8.160 5.045 1.00 14.22 O ATOM 0 H GLU A 67 2.260 -6.746 2.529 1.00 51.42 H new ATOM 0 HA GLU A 67 3.293 -9.075 3.952 1.00 41.55 H new ATOM 0 HB2 GLU A 67 4.901 -6.707 3.290 1.00 71.52 H new ATOM 0 HB3 GLU A 67 4.775 -6.952 5.021 1.00 71.52 H new ATOM 0 HG2 GLU A 67 5.637 -9.229 4.813 1.00 63.25 H new ATOM 0 HG3 GLU A 67 5.636 -9.109 3.064 1.00 63.25 H new ATOM 1056 N LYS A 68 1.721 -8.339 5.702 1.00 13.22 N ATOM 1057 CA LYS A 68 0.827 -7.947 6.786 1.00 51.05 C ATOM 1058 C LYS A 68 1.495 -8.148 8.142 1.00 44.42 C ATOM 1059 O LYS A 68 0.834 -8.120 9.180 1.00 25.41 O ATOM 1060 CB LYS A 68 -0.471 -8.754 6.721 1.00 74.54 C ATOM 1061 CG LYS A 68 -1.531 -8.283 7.701 1.00 2.24 C ATOM 1062 CD LYS A 68 -1.622 -6.766 7.737 1.00 75.43 C ATOM 1063 CE LYS A 68 -2.881 -6.301 8.453 1.00 3.42 C ATOM 1064 NZ LYS A 68 -2.848 -6.633 9.904 1.00 30.43 N ATOM 0 H LYS A 68 1.791 -9.346 5.557 1.00 13.22 H new ATOM 0 HA LYS A 68 0.596 -6.888 6.668 1.00 51.05 H new ATOM 0 HB2 LYS A 68 -0.873 -8.698 5.709 1.00 74.54 H new ATOM 0 HB3 LYS A 68 -0.247 -9.802 6.917 1.00 74.54 H new ATOM 0 HG2 LYS A 68 -2.498 -8.700 7.421 1.00 2.24 H new ATOM 0 HG3 LYS A 68 -1.299 -8.658 8.698 1.00 2.24 H new ATOM 0 HD2 LYS A 68 -0.745 -6.359 8.240 1.00 75.43 H new ATOM 0 HD3 LYS A 68 -1.615 -6.376 6.719 1.00 75.43 H new ATOM 0 HE2 LYS A 68 -2.992 -5.224 8.329 1.00 3.42 H new ATOM 0 HE3 LYS A 68 -3.753 -6.766 7.994 1.00 3.42 H new ATOM 0 HZ1 LYS A 68 -3.524 -6.029 10.414 1.00 30.43 H new ATOM 0 HZ2 LYS A 68 -3.106 -7.632 10.038 1.00 30.43 H new ATOM 0 HZ3 LYS A 68 -1.890 -6.470 10.276 1.00 30.43 H new ATOM 1078 N ARG A 69 2.809 -8.347 8.125 1.00 22.52 N ATOM 1079 CA ARG A 69 3.567 -8.552 9.354 1.00 35.10 C ATOM 1080 C ARG A 69 3.926 -7.217 10.000 1.00 35.11 C ATOM 1081 O ARG A 69 4.726 -7.164 10.934 1.00 44.55 O ATOM 1082 CB ARG A 69 4.839 -9.351 9.067 1.00 44.52 C ATOM 1083 CG ARG A 69 5.380 -10.091 10.279 1.00 63.10 C ATOM 1084 CD ARG A 69 6.874 -9.862 10.451 1.00 13.32 C ATOM 1085 NE ARG A 69 7.394 -10.521 11.646 1.00 45.21 N ATOM 1086 CZ ARG A 69 8.618 -10.319 12.122 1.00 20.12 C ATOM 1087 NH1 ARG A 69 9.442 -9.481 11.509 1.00 40.04 N ATOM 1088 NH2 ARG A 69 9.019 -10.956 13.215 1.00 63.12 N ATOM 0 H ARG A 69 3.371 -8.371 7.274 1.00 22.52 H new ATOM 0 HA ARG A 69 2.942 -9.115 10.047 1.00 35.10 H new ATOM 0 HB2 ARG A 69 4.635 -10.070 8.274 1.00 44.52 H new ATOM 0 HB3 ARG A 69 5.607 -8.674 8.693 1.00 44.52 H new ATOM 0 HG2 ARG A 69 4.854 -9.758 11.174 1.00 63.10 H new ATOM 0 HG3 ARG A 69 5.184 -11.158 10.172 1.00 63.10 H new ATOM 0 HD2 ARG A 69 7.401 -10.235 9.573 1.00 13.32 H new ATOM 0 HD3 ARG A 69 7.072 -8.792 10.512 1.00 13.32 H new ATOM 0 HE ARG A 69 6.785 -11.171 12.142 1.00 45.21 H new ATOM 0 HH11 ARG A 69 9.137 -8.989 10.669 1.00 40.04 H new ATOM 0 HH12 ARG A 69 10.381 -9.328 11.877 1.00 40.04 H new ATOM 0 HH21 ARG A 69 8.388 -11.601 13.690 1.00 63.12 H new ATOM 0 HH22 ARG A 69 9.959 -10.801 13.580 1.00 63.12 H new ATOM 1102 N ARG A 70 3.328 -6.142 9.496 1.00 30.23 N ATOM 1103 CA ARG A 70 3.586 -4.807 10.023 1.00 61.41 C ATOM 1104 C ARG A 70 5.015 -4.369 9.716 1.00 1.11 C ATOM 1105 O ARG A 70 5.879 -4.376 10.592 1.00 50.21 O ATOM 1106 CB ARG A 70 3.345 -4.776 11.533 1.00 32.32 C ATOM 1107 CG ARG A 70 2.088 -5.515 11.965 1.00 44.14 C ATOM 1108 CD ARG A 70 2.424 -6.803 12.699 1.00 22.50 C ATOM 1109 NE ARG A 70 1.462 -7.097 13.758 1.00 41.50 N ATOM 1110 CZ ARG A 70 1.446 -8.236 14.441 1.00 14.42 C ATOM 1111 NH1 ARG A 70 2.335 -9.183 14.178 1.00 34.31 N ATOM 1112 NH2 ARG A 70 0.539 -8.428 15.390 1.00 34.15 N ATOM 0 H ARG A 70 2.662 -6.169 8.724 1.00 30.23 H new ATOM 0 HA ARG A 70 2.899 -4.113 9.538 1.00 61.41 H new ATOM 0 HB2 ARG A 70 4.206 -5.214 12.039 1.00 32.32 H new ATOM 0 HB3 ARG A 70 3.277 -3.739 11.860 1.00 32.32 H new ATOM 0 HG2 ARG A 70 1.490 -4.872 12.611 1.00 44.14 H new ATOM 0 HG3 ARG A 70 1.479 -5.742 11.090 1.00 44.14 H new ATOM 0 HD2 ARG A 70 2.445 -7.630 11.989 1.00 22.50 H new ATOM 0 HD3 ARG A 70 3.423 -6.726 13.128 1.00 22.50 H new ATOM 0 HE ARG A 70 0.764 -6.389 13.986 1.00 41.50 H new ATOM 0 HH11 ARG A 70 3.034 -9.038 13.449 1.00 34.31 H new ATOM 0 HH12 ARG A 70 2.320 -10.057 14.704 1.00 34.31 H new ATOM 0 HH21 ARG A 70 -0.146 -7.701 15.595 1.00 34.15 H new ATOM 0 HH22 ARG A 70 0.527 -9.303 15.914 1.00 34.15 H new ATOM 1126 N GLY A 71 5.256 -3.988 8.465 1.00 23.11 N ATOM 1127 CA GLY A 71 6.582 -3.553 8.065 1.00 55.32 C ATOM 1128 C GLY A 71 7.144 -2.488 8.985 1.00 44.42 C ATOM 1129 O GLY A 71 8.361 -2.360 9.129 1.00 52.53 O ATOM 0 H GLY A 71 4.557 -3.973 7.722 1.00 23.11 H new ATOM 0 HA2 GLY A 71 7.254 -4.411 8.054 1.00 55.32 H new ATOM 0 HA3 GLY A 71 6.542 -3.165 7.047 1.00 55.32 H new ATOM 1133 N THR A 72 6.258 -1.718 9.609 1.00 31.44 N ATOM 1134 CA THR A 72 6.673 -0.657 10.518 1.00 72.01 C ATOM 1135 C THR A 72 5.574 -0.333 11.523 1.00 33.13 C ATOM 1136 O THR A 72 5.561 0.745 12.116 1.00 40.42 O ATOM 1137 CB THR A 72 7.045 0.626 9.750 1.00 21.45 C ATOM 1138 OG1 THR A 72 6.963 0.394 8.340 1.00 71.12 O ATOM 1139 CG2 THR A 72 8.449 1.085 10.113 1.00 23.22 C ATOM 0 H THR A 72 5.248 -1.810 9.501 1.00 31.44 H new ATOM 0 HA THR A 72 7.552 -1.022 11.050 1.00 72.01 H new ATOM 0 HB THR A 72 6.340 1.409 10.030 1.00 21.45 H new ATOM 0 HG1 THR A 72 7.608 0.967 7.876 1.00 71.12 H new ATOM 0 HG21 THR A 72 8.690 1.992 9.559 1.00 23.22 H new ATOM 0 HG22 THR A 72 8.500 1.289 11.183 1.00 23.22 H new ATOM 0 HG23 THR A 72 9.165 0.303 9.858 1.00 23.22 H new ATOM 1147 N GLN A 73 4.654 -1.274 11.711 1.00 53.21 N ATOM 1148 CA GLN A 73 3.550 -1.087 12.646 1.00 43.14 C ATOM 1149 C GLN A 73 2.767 0.179 12.317 1.00 52.53 C ATOM 1150 O GLN A 73 2.188 0.810 13.200 1.00 52.30 O ATOM 1151 CB GLN A 73 4.076 -1.017 14.080 1.00 31.45 C ATOM 1152 CG GLN A 73 3.072 -1.489 15.120 1.00 53.13 C ATOM 1153 CD GLN A 73 3.731 -1.924 16.413 1.00 4.05 C ATOM 1154 OE1 GLN A 73 4.815 -1.453 16.760 1.00 12.13 O ATOM 1155 NE2 GLN A 73 3.080 -2.828 17.136 1.00 52.12 N ATOM 0 H GLN A 73 4.651 -2.173 11.229 1.00 53.21 H new ATOM 0 HA GLN A 73 2.879 -1.941 12.553 1.00 43.14 H new ATOM 0 HB2 GLN A 73 4.979 -1.623 14.157 1.00 31.45 H new ATOM 0 HB3 GLN A 73 4.362 0.011 14.303 1.00 31.45 H new ATOM 0 HG2 GLN A 73 2.366 -0.685 15.329 1.00 53.13 H new ATOM 0 HG3 GLN A 73 2.497 -2.320 14.713 1.00 53.13 H new ATOM 0 HE21 GLN A 73 2.184 -3.192 16.811 1.00 52.12 H new ATOM 0 HE22 GLN A 73 3.476 -3.158 18.016 1.00 52.12 H new ATOM 1164 N GLY A 74 2.753 0.546 11.039 1.00 44.34 N ATOM 1165 CA GLY A 74 2.038 1.736 10.616 1.00 43.22 C ATOM 1166 C GLY A 74 2.920 2.969 10.606 1.00 14.42 C ATOM 1167 O GLY A 74 2.513 4.026 10.124 1.00 64.02 O ATOM 0 H GLY A 74 3.224 0.040 10.289 1.00 44.34 H new ATOM 0 HA2 GLY A 74 1.631 1.576 9.618 1.00 43.22 H new ATOM 0 HA3 GLY A 74 1.192 1.904 11.282 1.00 43.22 H new ATOM 1171 N GLU A 75 4.129 2.835 11.142 1.00 12.11 N ATOM 1172 CA GLU A 75 5.068 3.949 11.195 1.00 1.20 C ATOM 1173 C GLU A 75 5.347 4.493 9.797 1.00 74.14 C ATOM 1174 O GLU A 75 5.689 5.663 9.631 1.00 4.11 O ATOM 1175 CB GLU A 75 6.378 3.510 11.854 1.00 53.24 C ATOM 1176 CG GLU A 75 7.236 4.669 12.333 1.00 31.44 C ATOM 1177 CD GLU A 75 8.352 4.224 13.258 1.00 65.32 C ATOM 1178 OE1 GLU A 75 9.382 3.732 12.751 1.00 23.33 O ATOM 1179 OE2 GLU A 75 8.196 4.368 14.488 1.00 10.25 O ATOM 0 H GLU A 75 4.481 1.967 11.545 1.00 12.11 H new ATOM 0 HA GLU A 75 4.617 4.742 11.791 1.00 1.20 H new ATOM 0 HB2 GLU A 75 6.150 2.863 12.701 1.00 53.24 H new ATOM 0 HB3 GLU A 75 6.951 2.914 11.143 1.00 53.24 H new ATOM 0 HG2 GLU A 75 7.665 5.179 11.471 1.00 31.44 H new ATOM 0 HG3 GLU A 75 6.607 5.393 12.851 1.00 31.44 H new ATOM 1186 N ALA A 76 5.197 3.634 8.794 1.00 60.04 N ATOM 1187 CA ALA A 76 5.431 4.027 7.410 1.00 53.43 C ATOM 1188 C ALA A 76 4.446 5.107 6.972 1.00 25.12 C ATOM 1189 O ALA A 76 4.644 5.763 5.949 1.00 22.32 O ATOM 1190 CB ALA A 76 5.332 2.817 6.493 1.00 55.10 C ATOM 0 H ALA A 76 4.914 2.661 8.914 1.00 60.04 H new ATOM 0 HA ALA A 76 6.438 4.440 7.341 1.00 53.43 H new ATOM 0 HB1 ALA A 76 5.509 3.126 5.463 1.00 55.10 H new ATOM 0 HB2 ALA A 76 6.079 2.078 6.784 1.00 55.10 H new ATOM 0 HB3 ALA A 76 4.337 2.379 6.575 1.00 55.10 H new ATOM 1196 N ARG A 77 3.386 5.286 7.753 1.00 72.53 N ATOM 1197 CA ARG A 77 2.370 6.284 7.444 1.00 13.42 C ATOM 1198 C ARG A 77 2.933 7.695 7.588 1.00 11.31 C ATOM 1199 O ARG A 77 2.366 8.657 7.070 1.00 74.50 O ATOM 1200 CB ARG A 77 1.158 6.111 8.362 1.00 4.24 C ATOM 1201 CG ARG A 77 0.072 7.151 8.141 1.00 44.25 C ATOM 1202 CD ARG A 77 -1.315 6.537 8.240 1.00 14.55 C ATOM 1203 NE ARG A 77 -1.910 6.740 9.559 1.00 41.21 N ATOM 1204 CZ ARG A 77 -3.162 6.414 9.859 1.00 71.35 C ATOM 1205 NH1 ARG A 77 -3.948 5.871 8.938 1.00 4.43 N ATOM 1206 NH2 ARG A 77 -3.631 6.629 11.081 1.00 1.21 N ATOM 0 H ARG A 77 3.209 4.753 8.604 1.00 72.53 H new ATOM 0 HA ARG A 77 2.057 6.139 6.410 1.00 13.42 H new ATOM 0 HB2 ARG A 77 0.735 5.118 8.208 1.00 4.24 H new ATOM 0 HB3 ARG A 77 1.489 6.159 9.399 1.00 4.24 H new ATOM 0 HG2 ARG A 77 0.173 7.946 8.880 1.00 44.25 H new ATOM 0 HG3 ARG A 77 0.199 7.609 7.160 1.00 44.25 H new ATOM 0 HD2 ARG A 77 -1.961 6.976 7.479 1.00 14.55 H new ATOM 0 HD3 ARG A 77 -1.255 5.469 8.030 1.00 14.55 H new ATOM 0 HE ARG A 77 -1.332 7.155 10.290 1.00 41.21 H new ATOM 0 HH11 ARG A 77 -3.591 5.703 7.997 1.00 4.43 H new ATOM 0 HH12 ARG A 77 -4.909 5.621 9.171 1.00 4.43 H new ATOM 0 HH21 ARG A 77 -3.030 7.045 11.792 1.00 1.21 H new ATOM 0 HH22 ARG A 77 -4.593 6.378 11.310 1.00 1.21 H new ATOM 1220 N ALA A 78 4.052 7.811 8.296 1.00 70.24 N ATOM 1221 CA ALA A 78 4.693 9.103 8.506 1.00 15.04 C ATOM 1222 C ALA A 78 6.077 9.140 7.867 1.00 15.53 C ATOM 1223 O ALA A 78 6.516 10.180 7.376 1.00 42.30 O ATOM 1224 CB ALA A 78 4.787 9.409 9.994 1.00 65.41 C ATOM 0 H ALA A 78 4.533 7.025 8.734 1.00 70.24 H new ATOM 0 HA ALA A 78 4.081 9.867 8.027 1.00 15.04 H new ATOM 0 HB1 ALA A 78 5.268 10.377 10.137 1.00 65.41 H new ATOM 0 HB2 ALA A 78 3.786 9.434 10.424 1.00 65.41 H new ATOM 0 HB3 ALA A 78 5.375 8.635 10.488 1.00 65.41 H new ATOM 1230 N TYR A 79 6.759 8.001 7.878 1.00 72.22 N ATOM 1231 CA TYR A 79 8.095 7.904 7.302 1.00 52.51 C ATOM 1232 C TYR A 79 8.024 7.611 5.806 1.00 14.24 C ATOM 1233 O TYR A 79 8.712 8.243 5.005 1.00 22.21 O ATOM 1234 CB TYR A 79 8.900 6.813 8.009 1.00 3.21 C ATOM 1235 CG TYR A 79 10.110 6.351 7.228 1.00 12.22 C ATOM 1236 CD1 TYR A 79 10.966 7.267 6.629 1.00 12.53 C ATOM 1237 CD2 TYR A 79 10.396 4.999 7.088 1.00 22.04 C ATOM 1238 CE1 TYR A 79 12.072 6.850 5.914 1.00 13.23 C ATOM 1239 CE2 TYR A 79 11.501 4.573 6.376 1.00 34.45 C ATOM 1240 CZ TYR A 79 12.335 5.502 5.791 1.00 22.11 C ATOM 1241 OH TYR A 79 13.436 5.081 5.080 1.00 55.11 O ATOM 0 H TYR A 79 6.409 7.131 8.280 1.00 72.22 H new ATOM 0 HA TYR A 79 8.594 8.863 7.442 1.00 52.51 H new ATOM 0 HB2 TYR A 79 9.225 7.185 8.980 1.00 3.21 H new ATOM 0 HB3 TYR A 79 8.251 5.958 8.196 1.00 3.21 H new ATOM 0 HD1 TYR A 79 10.763 8.324 6.724 1.00 12.53 H new ATOM 0 HD2 TYR A 79 9.744 4.268 7.543 1.00 22.04 H new ATOM 0 HE1 TYR A 79 12.727 7.575 5.454 1.00 13.23 H new ATOM 0 HE2 TYR A 79 11.710 3.518 6.278 1.00 34.45 H new ATOM 0 HH TYR A 79 13.478 4.102 5.091 1.00 55.11 H new ATOM 1251 N SER A 80 7.184 6.648 5.438 1.00 4.52 N ATOM 1252 CA SER A 80 7.024 6.268 4.040 1.00 71.14 C ATOM 1253 C SER A 80 8.326 5.707 3.476 1.00 22.15 C ATOM 1254 O SER A 80 9.253 5.394 4.222 1.00 24.53 O ATOM 1255 CB SER A 80 6.573 7.472 3.210 1.00 21.31 C ATOM 1256 OG SER A 80 6.045 8.493 4.039 1.00 41.04 O ATOM 0 H SER A 80 6.605 6.118 6.089 1.00 4.52 H new ATOM 0 HA SER A 80 6.261 5.492 3.986 1.00 71.14 H new ATOM 0 HB2 SER A 80 7.417 7.862 2.640 1.00 21.31 H new ATOM 0 HB3 SER A 80 5.819 7.158 2.488 1.00 21.31 H new ATOM 0 HG SER A 80 5.766 9.252 3.486 1.00 41.04 H new ATOM 1262 N MET A 81 8.387 5.583 2.155 1.00 41.34 N ATOM 1263 CA MET A 81 9.576 5.061 1.490 1.00 14.23 C ATOM 1264 C MET A 81 10.711 6.079 1.529 1.00 41.05 C ATOM 1265 O MET A 81 10.631 7.088 2.229 1.00 52.40 O ATOM 1266 CB MET A 81 9.255 4.692 0.041 1.00 70.42 C ATOM 1267 CG MET A 81 7.886 4.054 -0.135 1.00 43.13 C ATOM 1268 SD MET A 81 6.684 5.181 -0.868 1.00 64.22 S ATOM 1269 CE MET A 81 5.336 5.046 0.303 1.00 71.11 C ATOM 0 H MET A 81 7.627 5.837 1.523 1.00 41.34 H new ATOM 0 HA MET A 81 9.897 4.166 2.022 1.00 14.23 H new ATOM 0 HB2 MET A 81 9.310 5.590 -0.575 1.00 70.42 H new ATOM 0 HB3 MET A 81 10.017 4.005 -0.328 1.00 70.42 H new ATOM 0 HG2 MET A 81 7.980 3.169 -0.765 1.00 43.13 H new ATOM 0 HG3 MET A 81 7.519 3.718 0.835 1.00 43.13 H new ATOM 0 HE1 MET A 81 4.386 5.068 -0.231 1.00 71.11 H new ATOM 0 HE2 MET A 81 5.423 4.108 0.851 1.00 71.11 H new ATOM 0 HE3 MET A 81 5.377 5.880 1.003 1.00 71.11 H new ATOM 1279 N LYS A 82 11.769 5.808 0.772 1.00 72.55 N ATOM 1280 CA LYS A 82 12.921 6.700 0.718 1.00 71.55 C ATOM 1281 C LYS A 82 12.647 7.887 -0.201 1.00 25.54 C ATOM 1282 O LYS A 82 12.413 7.716 -1.396 1.00 45.05 O ATOM 1283 CB LYS A 82 14.158 5.940 0.232 1.00 34.00 C ATOM 1284 CG LYS A 82 14.962 5.307 1.354 1.00 32.41 C ATOM 1285 CD LYS A 82 16.243 6.077 1.626 1.00 13.51 C ATOM 1286 CE LYS A 82 16.869 5.669 2.951 1.00 72.55 C ATOM 1287 NZ LYS A 82 17.513 6.821 3.639 1.00 42.22 N ATOM 0 H LYS A 82 11.852 4.977 0.187 1.00 72.55 H new ATOM 0 HA LYS A 82 13.105 7.077 1.724 1.00 71.55 H new ATOM 0 HB2 LYS A 82 13.846 5.161 -0.464 1.00 34.00 H new ATOM 0 HB3 LYS A 82 14.800 6.624 -0.323 1.00 34.00 H new ATOM 0 HG2 LYS A 82 14.358 5.272 2.261 1.00 32.41 H new ATOM 0 HG3 LYS A 82 15.204 4.277 1.093 1.00 32.41 H new ATOM 0 HD2 LYS A 82 16.953 5.901 0.818 1.00 13.51 H new ATOM 0 HD3 LYS A 82 16.031 7.146 1.637 1.00 13.51 H new ATOM 0 HE2 LYS A 82 16.103 5.242 3.598 1.00 72.55 H new ATOM 0 HE3 LYS A 82 17.611 4.889 2.777 1.00 72.55 H new ATOM 0 HZ1 LYS A 82 17.927 6.501 4.538 1.00 42.22 H new ATOM 0 HZ2 LYS A 82 18.261 7.213 3.033 1.00 42.22 H new ATOM 0 HZ3 LYS A 82 16.801 7.555 3.828 1.00 42.22 H new ATOM 1301 N GLU A 83 12.680 9.088 0.367 1.00 3.13 N ATOM 1302 CA GLU A 83 12.436 10.303 -0.402 1.00 25.31 C ATOM 1303 C GLU A 83 13.511 10.496 -1.468 1.00 1.51 C ATOM 1304 O GLU A 83 13.236 10.998 -2.558 1.00 72.11 O ATOM 1305 CB GLU A 83 12.396 11.520 0.524 1.00 30.03 C ATOM 1306 CG GLU A 83 11.553 11.309 1.771 1.00 71.34 C ATOM 1307 CD GLU A 83 10.613 12.467 2.043 1.00 42.34 C ATOM 1308 OE1 GLU A 83 10.914 13.593 1.592 1.00 21.31 O ATOM 1309 OE2 GLU A 83 9.578 12.249 2.705 1.00 12.25 O ATOM 0 H GLU A 83 12.873 9.246 1.356 1.00 3.13 H new ATOM 0 HA GLU A 83 11.471 10.201 -0.898 1.00 25.31 H new ATOM 0 HB2 GLU A 83 13.414 11.773 0.822 1.00 30.03 H new ATOM 0 HB3 GLU A 83 12.004 12.374 -0.029 1.00 30.03 H new ATOM 0 HG2 GLU A 83 10.973 10.393 1.662 1.00 71.34 H new ATOM 0 HG3 GLU A 83 12.210 11.170 2.630 1.00 71.34 H new ATOM 1316 N ASP A 84 14.736 10.096 -1.144 1.00 53.13 N ATOM 1317 CA ASP A 84 15.853 10.225 -2.073 1.00 75.22 C ATOM 1318 C ASP A 84 15.660 9.316 -3.283 1.00 42.25 C ATOM 1319 O ASP A 84 16.012 9.677 -4.407 1.00 64.11 O ATOM 1320 CB ASP A 84 17.169 9.888 -1.371 1.00 71.02 C ATOM 1321 CG ASP A 84 18.195 10.997 -1.501 1.00 74.20 C ATOM 1322 OD1 ASP A 84 18.822 11.103 -2.576 1.00 74.41 O ATOM 1323 OD2 ASP A 84 18.370 11.759 -0.528 1.00 53.40 O ATOM 0 H ASP A 84 14.981 9.680 -0.245 1.00 53.13 H new ATOM 0 HA ASP A 84 15.889 11.258 -2.419 1.00 75.22 H new ATOM 0 HB2 ASP A 84 16.976 9.698 -0.315 1.00 71.02 H new ATOM 0 HB3 ASP A 84 17.577 8.969 -1.791 1.00 71.02 H new ATOM 1328 N THR A 85 15.100 8.134 -3.047 1.00 14.13 N ATOM 1329 CA THR A 85 14.862 7.173 -4.116 1.00 64.21 C ATOM 1330 C THR A 85 13.423 7.246 -4.612 1.00 51.42 C ATOM 1331 O THR A 85 12.989 6.417 -5.411 1.00 73.34 O ATOM 1332 CB THR A 85 15.161 5.734 -3.655 1.00 25.04 C ATOM 1333 OG1 THR A 85 15.558 5.733 -2.279 1.00 2.33 O ATOM 1334 CG2 THR A 85 16.258 5.110 -4.504 1.00 43.12 C ATOM 0 H THR A 85 14.803 7.819 -2.124 1.00 14.13 H new ATOM 0 HA THR A 85 15.538 7.434 -4.931 1.00 64.21 H new ATOM 0 HB THR A 85 14.253 5.143 -3.772 1.00 25.04 H new ATOM 0 HG1 THR A 85 15.745 4.814 -1.993 1.00 2.33 H new ATOM 0 HG21 THR A 85 16.451 4.094 -4.159 1.00 43.12 H new ATOM 0 HG22 THR A 85 15.941 5.085 -5.547 1.00 43.12 H new ATOM 0 HG23 THR A 85 17.168 5.703 -4.415 1.00 43.12 H new ATOM 1342 N ARG A 86 12.687 8.245 -4.134 1.00 64.31 N ATOM 1343 CA ARG A 86 11.296 8.426 -4.529 1.00 72.23 C ATOM 1344 C ARG A 86 11.200 9.187 -5.848 1.00 51.51 C ATOM 1345 O ARG A 86 11.887 10.190 -6.050 1.00 31.20 O ATOM 1346 CB ARG A 86 10.527 9.174 -3.439 1.00 10.12 C ATOM 1347 CG ARG A 86 9.212 8.514 -3.059 1.00 55.20 C ATOM 1348 CD ARG A 86 8.995 8.529 -1.554 1.00 20.11 C ATOM 1349 NE ARG A 86 8.533 9.831 -1.080 1.00 62.21 N ATOM 1350 CZ ARG A 86 8.450 10.158 0.205 1.00 73.03 C ATOM 1351 NH1 ARG A 86 8.795 9.283 1.139 1.00 64.12 N ATOM 1352 NH2 ARG A 86 8.020 11.363 0.557 1.00 30.12 N ATOM 0 H ARG A 86 13.032 8.941 -3.473 1.00 64.31 H new ATOM 0 HA ARG A 86 10.852 7.440 -4.665 1.00 72.23 H new ATOM 0 HB2 ARG A 86 11.155 9.251 -2.551 1.00 10.12 H new ATOM 0 HB3 ARG A 86 10.329 10.191 -3.779 1.00 10.12 H new ATOM 0 HG2 ARG A 86 8.389 9.031 -3.551 1.00 55.20 H new ATOM 0 HG3 ARG A 86 9.203 7.485 -3.419 1.00 55.20 H new ATOM 0 HD2 ARG A 86 8.265 7.766 -1.286 1.00 20.11 H new ATOM 0 HD3 ARG A 86 9.927 8.270 -1.051 1.00 20.11 H new ATOM 0 HE ARG A 86 8.259 10.527 -1.773 1.00 62.21 H new ATOM 0 HH11 ARG A 86 9.125 8.356 0.872 1.00 64.12 H new ATOM 0 HH12 ARG A 86 8.730 9.537 2.125 1.00 64.12 H new ATOM 0 HH21 ARG A 86 7.753 12.039 -0.159 1.00 30.12 H new ATOM 0 HH22 ARG A 86 7.956 11.614 1.544 1.00 30.12 H new ATOM 1366 N LEU A 87 10.344 8.705 -6.743 1.00 5.33 N ATOM 1367 CA LEU A 87 10.159 9.340 -8.043 1.00 74.11 C ATOM 1368 C LEU A 87 8.972 10.298 -8.017 1.00 30.11 C ATOM 1369 O LEU A 87 9.100 11.469 -8.373 1.00 71.31 O ATOM 1370 CB LEU A 87 9.949 8.279 -9.125 1.00 15.11 C ATOM 1371 CG LEU A 87 10.922 8.320 -10.303 1.00 40.23 C ATOM 1372 CD1 LEU A 87 10.487 7.348 -11.389 1.00 40.32 C ATOM 1373 CD2 LEU A 87 11.027 9.733 -10.860 1.00 35.32 C ATOM 0 H LEU A 87 9.768 7.877 -6.592 1.00 5.33 H new ATOM 0 HA LEU A 87 11.058 9.911 -8.272 1.00 74.11 H new ATOM 0 HB2 LEU A 87 10.015 7.296 -8.659 1.00 15.11 H new ATOM 0 HB3 LEU A 87 8.935 8.380 -9.513 1.00 15.11 H new ATOM 0 HG LEU A 87 11.907 8.018 -9.946 1.00 40.23 H new ATOM 0 HD11 LEU A 87 11.192 7.391 -12.219 1.00 40.32 H new ATOM 0 HD12 LEU A 87 10.465 6.336 -10.984 1.00 40.32 H new ATOM 0 HD13 LEU A 87 9.492 7.619 -11.743 1.00 40.32 H new ATOM 0 HD21 LEU A 87 11.724 9.743 -11.698 1.00 35.32 H new ATOM 0 HD22 LEU A 87 10.046 10.064 -11.200 1.00 35.32 H new ATOM 0 HD23 LEU A 87 11.387 10.405 -10.081 1.00 35.32 H new ATOM 1385 N GLU A 88 7.819 9.792 -7.591 1.00 12.04 N ATOM 1386 CA GLU A 88 6.610 10.604 -7.517 1.00 0.34 C ATOM 1387 C GLU A 88 5.896 10.397 -6.184 1.00 4.33 C ATOM 1388 O GLU A 88 6.289 9.551 -5.382 1.00 1.34 O ATOM 1389 CB GLU A 88 5.667 10.261 -8.671 1.00 73.04 C ATOM 1390 CG GLU A 88 5.041 11.480 -9.329 1.00 61.50 C ATOM 1391 CD GLU A 88 6.056 12.329 -10.068 1.00 44.15 C ATOM 1392 OE1 GLU A 88 6.752 13.130 -9.409 1.00 15.20 O ATOM 1393 OE2 GLU A 88 6.156 12.193 -11.306 1.00 12.43 O ATOM 0 H GLU A 88 7.697 8.824 -7.292 1.00 12.04 H new ATOM 0 HA GLU A 88 6.902 11.651 -7.595 1.00 0.34 H new ATOM 0 HB2 GLU A 88 6.217 9.695 -9.423 1.00 73.04 H new ATOM 0 HB3 GLU A 88 4.874 9.611 -8.300 1.00 73.04 H new ATOM 0 HG2 GLU A 88 4.268 11.156 -10.026 1.00 61.50 H new ATOM 0 HG3 GLU A 88 4.550 12.087 -8.568 1.00 61.50 H new ATOM 1400 N GLY A 89 4.845 11.178 -5.955 1.00 34.03 N ATOM 1401 CA GLY A 89 4.093 11.066 -4.718 1.00 51.04 C ATOM 1402 C GLY A 89 4.567 12.043 -3.661 1.00 23.22 C ATOM 1403 O GLY A 89 5.358 12.947 -3.931 1.00 3.05 O ATOM 0 H GLY A 89 4.501 11.886 -6.603 1.00 34.03 H new ATOM 0 HA2 GLY A 89 3.036 11.240 -4.922 1.00 51.04 H new ATOM 0 HA3 GLY A 89 4.180 10.050 -4.334 1.00 51.04 H new ATOM 1407 N PRO A 90 4.078 11.867 -2.425 1.00 34.34 N ATOM 1408 CA PRO A 90 3.135 10.795 -2.092 1.00 71.50 C ATOM 1409 C PRO A 90 1.759 11.019 -2.711 1.00 5.32 C ATOM 1410 O PRO A 90 1.488 12.079 -3.274 1.00 40.44 O ATOM 1411 CB PRO A 90 3.051 10.857 -0.565 1.00 11.21 C ATOM 1412 CG PRO A 90 3.405 12.263 -0.223 1.00 52.44 C ATOM 1413 CD PRO A 90 4.406 12.701 -1.257 1.00 11.05 C ATOM 0 HA PRO A 90 3.465 9.829 -2.475 1.00 71.50 H new ATOM 0 HB2 PRO A 90 2.051 10.604 -0.213 1.00 11.21 H new ATOM 0 HB3 PRO A 90 3.740 10.151 -0.102 1.00 11.21 H new ATOM 0 HG2 PRO A 90 2.522 12.903 -0.239 1.00 52.44 H new ATOM 0 HG3 PRO A 90 3.827 12.326 0.780 1.00 52.44 H new ATOM 0 HD2 PRO A 90 4.312 13.763 -1.483 1.00 11.05 H new ATOM 0 HD3 PRO A 90 5.430 12.536 -0.920 1.00 11.05 H new ATOM 1421 N TRP A 91 0.896 10.016 -2.602 1.00 11.35 N ATOM 1422 CA TRP A 91 -0.452 10.106 -3.151 1.00 33.53 C ATOM 1423 C TRP A 91 -1.469 9.480 -2.202 1.00 60.01 C ATOM 1424 O TRP A 91 -1.296 8.348 -1.753 1.00 30.42 O ATOM 1425 CB TRP A 91 -0.517 9.415 -4.514 1.00 45.42 C ATOM 1426 CG TRP A 91 0.107 10.218 -5.616 1.00 22.31 C ATOM 1427 CD1 TRP A 91 0.049 11.573 -5.777 1.00 25.41 C ATOM 1428 CD2 TRP A 91 0.881 9.714 -6.710 1.00 52.13 C ATOM 1429 NE1 TRP A 91 0.741 11.942 -6.906 1.00 33.33 N ATOM 1430 CE2 TRP A 91 1.261 10.820 -7.496 1.00 12.25 C ATOM 1431 CE3 TRP A 91 1.291 8.437 -7.102 1.00 44.23 C ATOM 1432 CZ2 TRP A 91 2.030 10.685 -8.649 1.00 14.15 C ATOM 1433 CZ3 TRP A 91 2.054 8.305 -8.247 1.00 70.20 C ATOM 1434 CH2 TRP A 91 2.417 9.423 -9.009 1.00 4.31 C ATOM 0 H TRP A 91 1.105 9.132 -2.139 1.00 11.35 H new ATOM 0 HA TRP A 91 -0.698 11.161 -3.274 1.00 33.53 H new ATOM 0 HB2 TRP A 91 -0.015 8.449 -4.448 1.00 45.42 H new ATOM 0 HB3 TRP A 91 -1.559 9.216 -4.764 1.00 45.42 H new ATOM 0 HD1 TRP A 91 -0.465 12.254 -5.115 1.00 25.41 H new ATOM 0 HE1 TRP A 91 0.850 12.896 -7.249 1.00 33.33 H new ATOM 0 HE3 TRP A 91 1.017 7.569 -6.521 1.00 44.23 H new ATOM 0 HZ2 TRP A 91 2.311 11.546 -9.238 1.00 14.15 H new ATOM 0 HZ3 TRP A 91 2.376 7.323 -8.560 1.00 70.20 H new ATOM 0 HH2 TRP A 91 3.014 9.286 -9.898 1.00 4.31 H new ATOM 1445 N GLU A 92 -2.529 10.225 -1.902 1.00 64.41 N ATOM 1446 CA GLU A 92 -3.572 9.741 -1.006 1.00 32.12 C ATOM 1447 C GLU A 92 -4.915 9.662 -1.727 1.00 21.23 C ATOM 1448 O GLU A 92 -5.284 10.566 -2.476 1.00 44.42 O ATOM 1449 CB GLU A 92 -3.690 10.655 0.216 1.00 61.41 C ATOM 1450 CG GLU A 92 -2.651 10.374 1.288 1.00 24.22 C ATOM 1451 CD GLU A 92 -2.779 11.300 2.482 1.00 52.11 C ATOM 1452 OE1 GLU A 92 -3.054 12.500 2.275 1.00 13.43 O ATOM 1453 OE2 GLU A 92 -2.605 10.824 3.623 1.00 24.31 O ATOM 0 H GLU A 92 -2.687 11.165 -2.266 1.00 64.41 H new ATOM 0 HA GLU A 92 -3.296 8.739 -0.676 1.00 32.12 H new ATOM 0 HB2 GLU A 92 -3.596 11.692 -0.106 1.00 61.41 H new ATOM 0 HB3 GLU A 92 -4.685 10.544 0.648 1.00 61.41 H new ATOM 0 HG2 GLU A 92 -2.749 9.341 1.622 1.00 24.22 H new ATOM 0 HG3 GLU A 92 -1.654 10.477 0.859 1.00 24.22 H new ATOM 1460 N TYR A 93 -5.641 8.574 -1.495 1.00 23.22 N ATOM 1461 CA TYR A 93 -6.941 8.374 -2.124 1.00 0.13 C ATOM 1462 C TYR A 93 -7.919 7.715 -1.156 1.00 23.41 C ATOM 1463 O TYR A 93 -7.514 7.093 -0.174 1.00 53.03 O ATOM 1464 CB TYR A 93 -6.796 7.517 -3.382 1.00 41.25 C ATOM 1465 CG TYR A 93 -5.952 8.161 -4.459 1.00 51.13 C ATOM 1466 CD1 TYR A 93 -6.479 9.146 -5.286 1.00 71.21 C ATOM 1467 CD2 TYR A 93 -4.629 7.784 -4.651 1.00 4.42 C ATOM 1468 CE1 TYR A 93 -5.712 9.736 -6.272 1.00 14.51 C ATOM 1469 CE2 TYR A 93 -3.854 8.371 -5.633 1.00 31.30 C ATOM 1470 CZ TYR A 93 -4.400 9.346 -6.441 1.00 74.10 C ATOM 1471 OH TYR A 93 -3.632 9.931 -7.421 1.00 55.34 O ATOM 0 H TYR A 93 -5.351 7.817 -0.876 1.00 23.22 H new ATOM 0 HA TYR A 93 -7.336 9.351 -2.402 1.00 0.13 H new ATOM 0 HB2 TYR A 93 -6.354 6.559 -3.110 1.00 41.25 H new ATOM 0 HB3 TYR A 93 -7.787 7.308 -3.785 1.00 41.25 H new ATOM 0 HD1 TYR A 93 -7.505 9.455 -5.156 1.00 71.21 H new ATOM 0 HD2 TYR A 93 -4.199 7.019 -4.022 1.00 4.42 H new ATOM 0 HE1 TYR A 93 -6.138 10.499 -6.907 1.00 14.51 H new ATOM 0 HE2 TYR A 93 -2.826 8.068 -5.767 1.00 31.30 H new ATOM 0 HH TYR A 93 -2.732 9.544 -7.406 1.00 55.34 H new ATOM 1481 N GLY A 94 -9.210 7.855 -1.442 1.00 3.14 N ATOM 1482 CA GLY A 94 -10.226 7.268 -0.589 1.00 34.13 C ATOM 1483 C GLY A 94 -10.779 8.256 0.420 1.00 63.24 C ATOM 1484 O GLY A 94 -10.811 9.459 0.165 1.00 44.21 O ATOM 0 H GLY A 94 -9.570 8.364 -2.249 1.00 3.14 H new ATOM 0 HA2 GLY A 94 -11.041 6.890 -1.207 1.00 34.13 H new ATOM 0 HA3 GLY A 94 -9.803 6.413 -0.061 1.00 34.13 H new ATOM 1488 N GLU A 95 -11.216 7.746 1.567 1.00 52.12 N ATOM 1489 CA GLU A 95 -11.772 8.593 2.615 1.00 14.14 C ATOM 1490 C GLU A 95 -10.824 9.741 2.948 1.00 43.21 C ATOM 1491 O GLU A 95 -10.996 10.861 2.467 1.00 34.34 O ATOM 1492 CB GLU A 95 -12.053 7.768 3.873 1.00 3.12 C ATOM 1493 CG GLU A 95 -12.424 8.609 5.083 1.00 44.41 C ATOM 1494 CD GLU A 95 -13.562 8.008 5.885 1.00 42.44 C ATOM 1495 OE1 GLU A 95 -13.682 6.766 5.906 1.00 61.21 O ATOM 1496 OE2 GLU A 95 -14.332 8.782 6.491 1.00 34.21 O ATOM 0 H GLU A 95 -11.196 6.752 1.794 1.00 52.12 H new ATOM 0 HA GLU A 95 -12.708 9.013 2.248 1.00 14.14 H new ATOM 0 HB2 GLU A 95 -12.863 7.069 3.665 1.00 3.12 H new ATOM 0 HB3 GLU A 95 -11.171 7.173 4.111 1.00 3.12 H new ATOM 0 HG2 GLU A 95 -11.550 8.719 5.726 1.00 44.41 H new ATOM 0 HG3 GLU A 95 -12.706 9.609 4.753 1.00 44.41 H new TER 1503 GLU A 95