USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 743 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 22 HIS : no HD1:sc= -5.23! C(o=-17!,f=-20!) USER MOD Set 1.2: A 24 SER OG : rot -170:sc= -0.466 USER MOD Set 1.3: A 25 MET CE :methyl -154:sc= -3.81! (180deg=-5.58!) USER MOD Set 1.4: A 48 MET CE :methyl -108:sc= -3.21 (180deg=-1.15) USER MOD Set 1.5: A 57 MET CE :methyl -114:sc= -4.08! (180deg=-5.93!) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 CYS SG : rot 180:sc= 0 USER MOD Single : A 9 CYS SG : rot -10:sc= 0.5 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.23 K(o=-0.23,f=-0.99) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.15) 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 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 120:sc= -1.45 USER MOD Single : A 30 TYR OH : rot 107:sc=0.000262 USER MOD Single : A 31 GLN : amide:sc= -4.23 K(o=-4.2,f=-4.8!) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.18 USER MOD Single : A 34 GLN : amide:sc= -0.374 X(o=-0.37,f=-0.038) USER MOD Single : A 39 ASN : amide:sc= -0.34 X(o=-0.34,f=-0.34) USER MOD Single : A 41 HIS : no HE2:sc= -6.02 X(o=-6,f=-6.5!) USER MOD Single : A 43 GLN : amide:sc= -4.24! C(o=-4.2!,f=-3.9!) USER MOD Single : A 45 TYR OH : rot 180:sc= -0.0227 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot -160:sc= -0.166 USER MOD Single : A 53 SER OG : rot 180:sc= 0.0728 USER MOD Single : A 58 LYS NZ :NH3+ -141:sc= -1.69 (180deg=-5.39!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HD1:sc= -0.123 X(o=-0.12,f=-0.0044) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.369 USER MOD Single : A 73 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl -138:sc= -2.48 (180deg=-7.69!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 86:sc= -0.605 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -13.663 0.646 19.475 1.00 54.21 N ATOM 2 CA ALA A 2 -13.038 1.243 18.302 1.00 44.14 C ATOM 3 C ALA A 2 -11.607 0.744 18.129 1.00 40.31 C ATOM 4 O ALA A 2 -10.650 1.491 18.336 1.00 71.22 O ATOM 5 CB ALA A 2 -13.060 2.761 18.406 1.00 74.11 C ATOM 0 HA ALA A 2 -13.610 0.942 17.424 1.00 44.14 H new ATOM 0 HB1 ALA A 2 -12.590 3.193 17.523 1.00 74.11 H new ATOM 0 HB2 ALA A 2 -14.092 3.106 18.473 1.00 74.11 H new ATOM 0 HB3 ALA A 2 -12.514 3.073 19.297 1.00 74.11 H new ATOM 11 N ARG A 3 -11.468 -0.522 17.749 1.00 15.23 N ATOM 12 CA ARG A 3 -10.154 -1.121 17.551 1.00 51.50 C ATOM 13 C ARG A 3 -9.537 -0.654 16.236 1.00 41.22 C ATOM 14 O ARG A 3 -10.193 -0.661 15.195 1.00 73.02 O ATOM 15 CB ARG A 3 -10.258 -2.647 17.565 1.00 40.33 C ATOM 16 CG ARG A 3 -9.756 -3.280 18.852 1.00 44.21 C ATOM 17 CD ARG A 3 -8.450 -4.028 18.632 1.00 32.31 C ATOM 18 NE ARG A 3 -8.222 -5.044 19.657 1.00 54.14 N ATOM 19 CZ ARG A 3 -7.780 -4.769 20.878 1.00 1.25 C ATOM 20 NH1 ARG A 3 -7.519 -3.516 21.226 1.00 34.25 N ATOM 21 NH2 ARG A 3 -7.598 -5.748 21.755 1.00 5.24 N ATOM 0 H ARG A 3 -12.250 -1.153 17.572 1.00 15.23 H new ATOM 0 HA ARG A 3 -9.509 -0.801 18.369 1.00 51.50 H new ATOM 0 HB2 ARG A 3 -11.298 -2.933 17.411 1.00 40.33 H new ATOM 0 HB3 ARG A 3 -9.689 -3.049 16.726 1.00 40.33 H new ATOM 0 HG2 ARG A 3 -9.611 -2.507 19.607 1.00 44.21 H new ATOM 0 HG3 ARG A 3 -10.509 -3.966 19.239 1.00 44.21 H new ATOM 0 HD2 ARG A 3 -8.464 -4.501 17.650 1.00 32.31 H new ATOM 0 HD3 ARG A 3 -7.622 -3.319 18.633 1.00 32.31 H new ATOM 0 HE ARG A 3 -8.413 -6.018 19.421 1.00 54.14 H new ATOM 0 HH11 ARG A 3 -7.658 -2.761 20.555 1.00 34.25 H new ATOM 0 HH12 ARG A 3 -7.179 -3.308 22.165 1.00 34.25 H new ATOM 0 HH21 ARG A 3 -7.798 -6.713 21.491 1.00 5.24 H new ATOM 0 HH22 ARG A 3 -7.258 -5.536 22.693 1.00 5.24 H new ATOM 35 N GLN A 4 -8.272 -0.249 16.292 1.00 14.43 N ATOM 36 CA GLN A 4 -7.568 0.222 15.106 1.00 41.52 C ATOM 37 C GLN A 4 -6.887 -0.934 14.382 1.00 71.42 C ATOM 38 O GLN A 4 -6.522 -1.937 14.997 1.00 54.33 O ATOM 39 CB GLN A 4 -6.532 1.281 15.489 1.00 63.45 C ATOM 40 CG GLN A 4 -7.092 2.693 15.533 1.00 52.03 C ATOM 41 CD GLN A 4 -6.342 3.647 14.625 1.00 42.32 C ATOM 42 OE1 GLN A 4 -5.191 3.998 14.889 1.00 55.42 O ATOM 43 NE2 GLN A 4 -6.990 4.073 13.547 1.00 34.10 N ATOM 0 H GLN A 4 -7.714 -0.238 17.146 1.00 14.43 H new ATOM 0 HA GLN A 4 -8.300 0.667 14.432 1.00 41.52 H new ATOM 0 HB2 GLN A 4 -6.116 1.034 16.466 1.00 63.45 H new ATOM 0 HB3 GLN A 4 -5.710 1.248 14.775 1.00 63.45 H new ATOM 0 HG2 GLN A 4 -8.143 2.672 15.243 1.00 52.03 H new ATOM 0 HG3 GLN A 4 -7.051 3.064 16.557 1.00 52.03 H new ATOM 0 HE21 GLN A 4 -7.943 3.757 13.367 1.00 34.10 H new ATOM 0 HE22 GLN A 4 -6.535 4.716 12.899 1.00 34.10 H new ATOM 52 N VAL A 5 -6.719 -0.789 13.071 1.00 31.12 N ATOM 53 CA VAL A 5 -6.081 -1.822 12.263 1.00 14.41 C ATOM 54 C VAL A 5 -4.730 -1.351 11.737 1.00 71.22 C ATOM 55 O VAL A 5 -4.470 -0.151 11.650 1.00 13.42 O ATOM 56 CB VAL A 5 -6.969 -2.231 11.073 1.00 53.01 C ATOM 57 CG1 VAL A 5 -8.317 -2.740 11.562 1.00 42.51 C ATOM 58 CG2 VAL A 5 -7.147 -1.063 10.115 1.00 42.14 C ATOM 0 H VAL A 5 -7.016 0.034 12.546 1.00 31.12 H new ATOM 0 HA VAL A 5 -5.934 -2.686 12.911 1.00 14.41 H new ATOM 0 HB VAL A 5 -6.475 -3.040 10.535 1.00 53.01 H new ATOM 0 HG11 VAL A 5 -8.931 -3.024 10.707 1.00 42.51 H new ATOM 0 HG12 VAL A 5 -8.167 -3.607 12.205 1.00 42.51 H new ATOM 0 HG13 VAL A 5 -8.820 -1.954 12.125 1.00 42.51 H new ATOM 0 HG21 VAL A 5 -7.777 -1.370 9.280 1.00 42.14 H new ATOM 0 HG22 VAL A 5 -7.618 -0.231 10.639 1.00 42.14 H new ATOM 0 HG23 VAL A 5 -6.173 -0.750 9.739 1.00 42.14 H new ATOM 68 N ILE A 6 -3.874 -2.304 11.386 1.00 24.52 N ATOM 69 CA ILE A 6 -2.549 -1.987 10.866 1.00 32.44 C ATOM 70 C ILE A 6 -2.586 -1.782 9.356 1.00 52.41 C ATOM 71 O ILE A 6 -3.410 -2.375 8.658 1.00 23.03 O ATOM 72 CB ILE A 6 -1.534 -3.097 11.197 1.00 30.32 C ATOM 73 CG1 ILE A 6 -1.581 -3.434 12.689 1.00 11.52 C ATOM 74 CG2 ILE A 6 -0.132 -2.672 10.789 1.00 42.54 C ATOM 75 CD1 ILE A 6 -2.476 -4.609 13.016 1.00 41.51 C ATOM 0 H ILE A 6 -4.074 -3.302 11.452 1.00 24.52 H new ATOM 0 HA ILE A 6 -2.234 -1.062 11.348 1.00 32.44 H new ATOM 0 HB ILE A 6 -1.800 -3.991 10.633 1.00 30.32 H new ATOM 0 HG12 ILE A 6 -0.571 -3.650 13.036 1.00 11.52 H new ATOM 0 HG13 ILE A 6 -1.927 -2.560 13.240 1.00 11.52 H new ATOM 0 HG21 ILE A 6 0.574 -3.467 11.030 1.00 42.54 H new ATOM 0 HG22 ILE A 6 -0.108 -2.478 9.717 1.00 42.54 H new ATOM 0 HG23 ILE A 6 0.145 -1.766 11.328 1.00 42.54 H new ATOM 0 HD11 ILE A 6 -2.460 -4.790 14.091 1.00 41.51 H new ATOM 0 HD12 ILE A 6 -3.496 -4.389 12.700 1.00 41.51 H new ATOM 0 HD13 ILE A 6 -2.118 -5.496 12.493 1.00 41.51 H new ATOM 87 N CYS A 7 -1.689 -0.939 8.857 1.00 4.02 N ATOM 88 CA CYS A 7 -1.617 -0.655 7.428 1.00 34.22 C ATOM 89 C CYS A 7 -0.928 -1.793 6.682 1.00 42.42 C ATOM 90 O CYS A 7 -0.159 -2.556 7.267 1.00 41.53 O ATOM 91 CB CYS A 7 -0.871 0.657 7.184 1.00 14.33 C ATOM 92 SG CYS A 7 0.917 0.546 7.425 1.00 62.42 S ATOM 0 H CYS A 7 -1.001 -0.440 9.421 1.00 4.02 H new ATOM 0 HA CYS A 7 -2.635 -0.561 7.050 1.00 34.22 H new ATOM 0 HB2 CYS A 7 -1.069 0.991 6.166 1.00 14.33 H new ATOM 0 HB3 CYS A 7 -1.270 1.419 7.853 1.00 14.33 H new ATOM 0 HG CYS A 7 1.459 1.705 7.193 1.00 62.42 H new ATOM 98 N TRP A 8 -1.209 -1.900 5.389 1.00 74.55 N ATOM 99 CA TRP A 8 -0.617 -2.946 4.562 1.00 32.42 C ATOM 100 C TRP A 8 0.459 -2.373 3.647 1.00 23.23 C ATOM 101 O TRP A 8 0.170 -1.567 2.763 1.00 50.53 O ATOM 102 CB TRP A 8 -1.697 -3.639 3.729 1.00 43.12 C ATOM 103 CG TRP A 8 -2.657 -4.444 4.551 1.00 10.32 C ATOM 104 CD1 TRP A 8 -3.547 -3.968 5.471 1.00 53.31 C ATOM 105 CD2 TRP A 8 -2.821 -5.866 4.529 1.00 13.23 C ATOM 106 NE1 TRP A 8 -4.255 -5.008 6.022 1.00 33.42 N ATOM 107 CE2 TRP A 8 -3.829 -6.183 5.461 1.00 74.02 C ATOM 108 CE3 TRP A 8 -2.217 -6.902 3.812 1.00 2.23 C ATOM 109 CZ2 TRP A 8 -4.243 -7.492 5.693 1.00 60.14 C ATOM 110 CZ3 TRP A 8 -2.628 -8.201 4.044 1.00 53.52 C ATOM 111 CH2 TRP A 8 -3.634 -8.487 4.977 1.00 41.43 C ATOM 0 H TRP A 8 -1.843 -1.276 4.890 1.00 74.55 H new ATOM 0 HA TRP A 8 -0.153 -3.678 5.223 1.00 32.42 H new ATOM 0 HB2 TRP A 8 -2.252 -2.887 3.169 1.00 43.12 H new ATOM 0 HB3 TRP A 8 -1.219 -4.292 2.999 1.00 43.12 H new ATOM 0 HD1 TRP A 8 -3.675 -2.927 5.728 1.00 53.31 H new ATOM 0 HE1 TRP A 8 -4.980 -4.920 6.734 1.00 33.42 H new ATOM 0 HE3 TRP A 8 -1.443 -6.691 3.089 1.00 2.23 H new ATOM 0 HZ2 TRP A 8 -5.017 -7.714 6.412 1.00 60.14 H new ATOM 0 HZ3 TRP A 8 -2.166 -9.010 3.497 1.00 53.52 H new ATOM 0 HH2 TRP A 8 -3.935 -9.512 5.134 1.00 41.43 H new ATOM 122 N CYS A 9 1.700 -2.794 3.865 1.00 62.20 N ATOM 123 CA CYS A 9 2.820 -2.321 3.059 1.00 25.43 C ATOM 124 C CYS A 9 3.184 -3.339 1.983 1.00 73.01 C ATOM 125 O CYS A 9 3.552 -4.474 2.286 1.00 45.02 O ATOM 126 CB CYS A 9 4.034 -2.046 3.948 1.00 42.40 C ATOM 127 SG CYS A 9 4.526 -3.446 4.981 1.00 11.42 S ATOM 0 H CYS A 9 1.956 -3.461 4.593 1.00 62.20 H new ATOM 0 HA CYS A 9 2.518 -1.395 2.570 1.00 25.43 H new ATOM 0 HB2 CYS A 9 4.876 -1.761 3.317 1.00 42.40 H new ATOM 0 HB3 CYS A 9 3.814 -1.194 4.591 1.00 42.40 H new ATOM 0 HG CYS A 9 3.611 -4.368 4.927 1.00 11.42 H new ATOM 133 N PHE A 10 3.076 -2.926 0.725 1.00 55.44 N ATOM 134 CA PHE A 10 3.390 -3.802 -0.398 1.00 31.02 C ATOM 135 C PHE A 10 4.247 -3.076 -1.431 1.00 31.40 C ATOM 136 O PHE A 10 4.336 -1.848 -1.429 1.00 64.20 O ATOM 137 CB PHE A 10 2.103 -4.310 -1.052 1.00 2.22 C ATOM 138 CG PHE A 10 1.563 -3.388 -2.107 1.00 41.14 C ATOM 139 CD1 PHE A 10 1.016 -2.163 -1.762 1.00 2.42 C ATOM 140 CD2 PHE A 10 1.603 -3.746 -3.445 1.00 72.12 C ATOM 141 CE1 PHE A 10 0.518 -1.313 -2.731 1.00 52.21 C ATOM 142 CE2 PHE A 10 1.106 -2.900 -4.419 1.00 63.21 C ATOM 143 CZ PHE A 10 0.564 -1.681 -4.061 1.00 60.55 C ATOM 0 H PHE A 10 2.773 -1.990 0.457 1.00 55.44 H new ATOM 0 HA PHE A 10 3.955 -4.652 -0.016 1.00 31.02 H new ATOM 0 HB2 PHE A 10 2.292 -5.287 -1.497 1.00 2.22 H new ATOM 0 HB3 PHE A 10 1.345 -4.452 -0.282 1.00 2.22 H new ATOM 0 HD1 PHE A 10 0.978 -1.869 -0.724 1.00 2.42 H new ATOM 0 HD2 PHE A 10 2.027 -4.697 -3.730 1.00 72.12 H new ATOM 0 HE1 PHE A 10 0.093 -0.361 -2.448 1.00 52.21 H new ATOM 0 HE2 PHE A 10 1.141 -3.192 -5.458 1.00 63.21 H new ATOM 0 HZ PHE A 10 0.177 -1.017 -4.820 1.00 60.55 H new ATOM 153 N THR A 11 4.877 -3.845 -2.314 1.00 30.43 N ATOM 154 CA THR A 11 5.728 -3.278 -3.352 1.00 3.25 C ATOM 155 C THR A 11 5.430 -3.902 -4.710 1.00 22.42 C ATOM 156 O THR A 11 5.531 -5.118 -4.881 1.00 51.02 O ATOM 157 CB THR A 11 7.221 -3.476 -3.025 1.00 15.24 C ATOM 158 OG1 THR A 11 7.481 -3.091 -1.670 1.00 54.32 O ATOM 159 CG2 THR A 11 8.094 -2.660 -3.966 1.00 14.32 C ATOM 0 H THR A 11 4.813 -4.863 -2.330 1.00 30.43 H new ATOM 0 HA THR A 11 5.510 -2.211 -3.390 1.00 3.25 H new ATOM 0 HB THR A 11 7.462 -4.531 -3.155 1.00 15.24 H new ATOM 0 HG1 THR A 11 8.431 -3.221 -1.470 1.00 54.32 H new ATOM 0 HG21 THR A 11 9.143 -2.816 -3.716 1.00 14.32 H new ATOM 0 HG22 THR A 11 7.915 -2.976 -4.994 1.00 14.32 H new ATOM 0 HG23 THR A 11 7.850 -1.603 -3.864 1.00 14.32 H new ATOM 167 N LEU A 12 5.064 -3.064 -5.673 1.00 75.52 N ATOM 168 CA LEU A 12 4.751 -3.535 -7.018 1.00 44.24 C ATOM 169 C LEU A 12 5.818 -3.088 -8.013 1.00 4.03 C ATOM 170 O LEU A 12 6.031 -1.893 -8.215 1.00 74.31 O ATOM 171 CB LEU A 12 3.381 -3.016 -7.456 1.00 53.32 C ATOM 172 CG LEU A 12 2.991 -3.293 -8.908 1.00 54.35 C ATOM 173 CD1 LEU A 12 3.265 -4.745 -9.267 1.00 42.23 C ATOM 174 CD2 LEU A 12 1.526 -2.951 -9.142 1.00 21.53 C ATOM 0 H LEU A 12 4.977 -2.055 -5.548 1.00 75.52 H new ATOM 0 HA LEU A 12 4.731 -4.625 -6.999 1.00 44.24 H new ATOM 0 HB2 LEU A 12 2.624 -3.456 -6.807 1.00 53.32 H new ATOM 0 HB3 LEU A 12 3.354 -1.939 -7.293 1.00 53.32 H new ATOM 0 HG LEU A 12 3.599 -2.660 -9.554 1.00 54.35 H new ATOM 0 HD11 LEU A 12 2.981 -4.923 -10.304 1.00 42.23 H new ATOM 0 HD12 LEU A 12 4.327 -4.957 -9.140 1.00 42.23 H new ATOM 0 HD13 LEU A 12 2.684 -5.397 -8.615 1.00 42.23 H new ATOM 0 HD21 LEU A 12 1.266 -3.154 -10.181 1.00 21.53 H new ATOM 0 HD22 LEU A 12 0.902 -3.558 -8.486 1.00 21.53 H new ATOM 0 HD23 LEU A 12 1.360 -1.895 -8.927 1.00 21.53 H new ATOM 186 N ASN A 13 6.485 -4.056 -8.632 1.00 24.51 N ATOM 187 CA ASN A 13 7.529 -3.763 -9.607 1.00 45.20 C ATOM 188 C ASN A 13 7.003 -3.917 -11.031 1.00 10.43 C ATOM 189 O ASN A 13 6.323 -4.891 -11.350 1.00 1.11 O ATOM 190 CB ASN A 13 8.731 -4.686 -9.393 1.00 35.11 C ATOM 191 CG ASN A 13 8.357 -6.153 -9.492 1.00 44.44 C ATOM 192 OD1 ASN A 13 8.177 -6.686 -10.587 1.00 44.13 O ATOM 193 ND2 ASN A 13 8.239 -6.812 -8.346 1.00 2.13 N ATOM 0 H ASN A 13 6.321 -5.051 -8.476 1.00 24.51 H new ATOM 0 HA ASN A 13 7.844 -2.729 -9.464 1.00 45.20 H new ATOM 0 HB2 ASN A 13 9.497 -4.458 -10.134 1.00 35.11 H new ATOM 0 HB3 ASN A 13 9.167 -4.490 -8.413 1.00 35.11 H new ATOM 0 HD21 ASN A 13 7.990 -7.801 -8.350 1.00 2.13 H new ATOM 0 HD22 ASN A 13 8.398 -6.329 -7.462 1.00 2.13 H new ATOM 200 N ASN A 14 7.323 -2.947 -11.882 1.00 61.51 N ATOM 201 CA ASN A 14 6.883 -2.975 -13.272 1.00 54.11 C ATOM 202 C ASN A 14 5.380 -3.224 -13.362 1.00 0.33 C ATOM 203 O ASN A 14 4.925 -4.255 -13.857 1.00 52.32 O ATOM 204 CB ASN A 14 7.637 -4.057 -14.047 1.00 22.33 C ATOM 205 CG ASN A 14 9.118 -4.077 -13.719 1.00 34.35 C ATOM 206 OD1 ASN A 14 9.748 -3.029 -13.577 1.00 73.24 O ATOM 207 ND2 ASN A 14 9.680 -5.274 -13.596 1.00 1.03 N ATOM 0 H ASN A 14 7.885 -2.133 -11.633 1.00 61.51 H new ATOM 0 HA ASN A 14 7.100 -2.003 -13.715 1.00 54.11 H new ATOM 0 HB2 ASN A 14 7.204 -5.031 -13.820 1.00 22.33 H new ATOM 0 HB3 ASN A 14 7.507 -3.892 -15.116 1.00 22.33 H new ATOM 0 HD21 ASN A 14 10.673 -5.351 -13.375 1.00 1.03 H new ATOM 0 HD22 ASN A 14 9.119 -6.116 -13.722 1.00 1.03 H new ATOM 214 N PRO A 15 4.590 -2.257 -12.872 1.00 10.23 N ATOM 215 CA PRO A 15 3.127 -2.347 -12.886 1.00 31.01 C ATOM 216 C PRO A 15 2.553 -2.238 -14.294 1.00 50.54 C ATOM 217 O PRO A 15 3.283 -1.997 -15.257 1.00 5.45 O ATOM 218 CB PRO A 15 2.690 -1.152 -12.036 1.00 14.52 C ATOM 219 CG PRO A 15 3.812 -0.178 -12.146 1.00 55.31 C ATOM 220 CD PRO A 15 5.064 -1.001 -12.267 1.00 1.15 C ATOM 0 HA PRO A 15 2.774 -3.307 -12.509 1.00 31.01 H new ATOM 0 HB2 PRO A 15 1.757 -0.725 -12.404 1.00 14.52 H new ATOM 0 HB3 PRO A 15 2.520 -1.444 -11.000 1.00 14.52 H new ATOM 0 HG2 PRO A 15 3.684 0.468 -13.015 1.00 55.31 H new ATOM 0 HG3 PRO A 15 3.854 0.470 -11.270 1.00 55.31 H new ATOM 0 HD2 PRO A 15 5.809 -0.510 -12.893 1.00 1.15 H new ATOM 0 HD3 PRO A 15 5.527 -1.173 -11.295 1.00 1.15 H new ATOM 228 N LEU A 16 1.242 -2.415 -14.409 1.00 75.22 N ATOM 229 CA LEU A 16 0.569 -2.336 -15.701 1.00 51.33 C ATOM 230 C LEU A 16 -0.517 -1.265 -15.685 1.00 11.22 C ATOM 231 O LEU A 16 -1.145 -0.987 -16.707 1.00 23.33 O ATOM 232 CB LEU A 16 -0.040 -3.691 -16.065 1.00 55.34 C ATOM 233 CG LEU A 16 -0.358 -3.908 -17.545 1.00 54.22 C ATOM 234 CD1 LEU A 16 0.887 -4.345 -18.300 1.00 62.12 C ATOM 235 CD2 LEU A 16 -1.470 -4.934 -17.707 1.00 32.32 C ATOM 0 H LEU A 16 0.623 -2.614 -13.623 1.00 75.22 H new ATOM 0 HA LEU A 16 1.310 -2.064 -16.453 1.00 51.33 H new ATOM 0 HB2 LEU A 16 0.647 -4.474 -15.743 1.00 55.34 H new ATOM 0 HB3 LEU A 16 -0.960 -3.819 -15.494 1.00 55.34 H new ATOM 0 HG LEU A 16 -0.700 -2.962 -17.966 1.00 54.22 H new ATOM 0 HD11 LEU A 16 0.641 -4.495 -19.351 1.00 62.12 H new ATOM 0 HD12 LEU A 16 1.654 -3.576 -18.213 1.00 62.12 H new ATOM 0 HD13 LEU A 16 1.259 -5.278 -17.878 1.00 62.12 H new ATOM 0 HD21 LEU A 16 -1.683 -5.076 -18.767 1.00 32.32 H new ATOM 0 HD22 LEU A 16 -1.157 -5.882 -17.270 1.00 32.32 H new ATOM 0 HD23 LEU A 16 -2.368 -4.580 -17.201 1.00 32.32 H new ATOM 247 N SER A 17 -0.732 -0.665 -14.518 1.00 41.03 N ATOM 248 CA SER A 17 -1.743 0.375 -14.368 1.00 72.22 C ATOM 249 C SER A 17 -1.763 0.911 -12.940 1.00 34.21 C ATOM 250 O SER A 17 -1.282 0.273 -12.003 1.00 73.32 O ATOM 251 CB SER A 17 -3.124 -0.169 -14.740 1.00 63.34 C ATOM 252 OG SER A 17 -3.901 -0.422 -13.583 1.00 33.20 O ATOM 0 H SER A 17 -0.220 -0.881 -13.663 1.00 41.03 H new ATOM 0 HA SER A 17 -1.489 1.194 -15.041 1.00 72.22 H new ATOM 0 HB2 SER A 17 -3.640 0.547 -15.379 1.00 63.34 H new ATOM 0 HB3 SER A 17 -3.013 -1.088 -15.316 1.00 63.34 H new ATOM 0 HG SER A 17 -4.779 -0.767 -13.848 1.00 33.20 H new ATOM 258 N PRO A 18 -2.334 2.112 -12.768 1.00 2.52 N ATOM 259 CA PRO A 18 -2.432 2.762 -11.457 1.00 62.12 C ATOM 260 C PRO A 18 -3.415 2.054 -10.531 1.00 61.34 C ATOM 261 O PRO A 18 -4.311 1.342 -10.988 1.00 24.33 O ATOM 262 CB PRO A 18 -2.933 4.168 -11.795 1.00 13.22 C ATOM 263 CG PRO A 18 -3.653 4.013 -13.090 1.00 43.00 C ATOM 264 CD PRO A 18 -2.928 2.930 -13.839 1.00 64.43 C ATOM 0 HA PRO A 18 -1.481 2.750 -10.924 1.00 62.12 H new ATOM 0 HB2 PRO A 18 -3.595 4.550 -11.018 1.00 13.22 H new ATOM 0 HB3 PRO A 18 -2.106 4.872 -11.884 1.00 13.22 H new ATOM 0 HG2 PRO A 18 -4.696 3.743 -12.927 1.00 43.00 H new ATOM 0 HG3 PRO A 18 -3.649 4.946 -13.653 1.00 43.00 H new ATOM 0 HD2 PRO A 18 -3.608 2.347 -14.460 1.00 64.43 H new ATOM 0 HD3 PRO A 18 -2.165 3.341 -14.501 1.00 64.43 H new ATOM 272 N LEU A 19 -3.243 2.253 -9.229 1.00 40.44 N ATOM 273 CA LEU A 19 -4.116 1.634 -8.238 1.00 71.14 C ATOM 274 C LEU A 19 -5.414 2.420 -8.089 1.00 55.42 C ATOM 275 O LEU A 19 -5.551 3.520 -8.626 1.00 74.51 O ATOM 276 CB LEU A 19 -3.404 1.543 -6.888 1.00 25.21 C ATOM 277 CG LEU A 19 -1.995 0.949 -6.911 1.00 62.30 C ATOM 278 CD1 LEU A 19 -1.365 1.014 -5.528 1.00 50.43 C ATOM 279 CD2 LEU A 19 -2.029 -0.486 -7.416 1.00 34.42 C ATOM 0 H LEU A 19 -2.507 2.838 -8.835 1.00 40.44 H new ATOM 0 HA LEU A 19 -4.359 0.629 -8.582 1.00 71.14 H new ATOM 0 HB2 LEU A 19 -3.348 2.544 -6.461 1.00 25.21 H new ATOM 0 HB3 LEU A 19 -4.018 0.944 -6.215 1.00 25.21 H new ATOM 0 HG LEU A 19 -1.384 1.539 -7.594 1.00 62.30 H new ATOM 0 HD11 LEU A 19 -0.363 0.587 -5.564 1.00 50.43 H new ATOM 0 HD12 LEU A 19 -1.305 2.053 -5.204 1.00 50.43 H new ATOM 0 HD13 LEU A 19 -1.975 0.449 -4.823 1.00 50.43 H new ATOM 0 HD21 LEU A 19 -1.018 -0.892 -7.426 1.00 34.42 H new ATOM 0 HD22 LEU A 19 -2.656 -1.088 -6.759 1.00 34.42 H new ATOM 0 HD23 LEU A 19 -2.438 -0.507 -8.426 1.00 34.42 H new ATOM 291 N SER A 20 -6.364 1.850 -7.355 1.00 14.55 N ATOM 292 CA SER A 20 -7.653 2.497 -7.136 1.00 2.44 C ATOM 293 C SER A 20 -8.229 2.115 -5.776 1.00 24.34 C ATOM 294 O SER A 20 -7.873 1.082 -5.206 1.00 1.33 O ATOM 295 CB SER A 20 -8.635 2.114 -8.244 1.00 61.12 C ATOM 296 OG SER A 20 -8.784 0.707 -8.329 1.00 14.22 O ATOM 0 H SER A 20 -6.266 0.942 -6.902 1.00 14.55 H new ATOM 0 HA SER A 20 -7.498 3.576 -7.155 1.00 2.44 H new ATOM 0 HB2 SER A 20 -9.604 2.575 -8.051 1.00 61.12 H new ATOM 0 HB3 SER A 20 -8.281 2.504 -9.199 1.00 61.12 H new ATOM 0 HG SER A 20 -9.418 0.488 -9.043 1.00 14.22 H new ATOM 302 N LEU A 21 -9.120 2.954 -5.261 1.00 33.04 N ATOM 303 CA LEU A 21 -9.747 2.705 -3.967 1.00 12.20 C ATOM 304 C LEU A 21 -10.533 1.398 -3.985 1.00 24.21 C ATOM 305 O LEU A 21 -11.020 0.968 -5.031 1.00 43.22 O ATOM 306 CB LEU A 21 -10.673 3.865 -3.595 1.00 71.35 C ATOM 307 CG LEU A 21 -11.632 3.612 -2.432 1.00 30.54 C ATOM 308 CD1 LEU A 21 -10.864 3.481 -1.126 1.00 3.54 C ATOM 309 CD2 LEU A 21 -12.663 4.727 -2.337 1.00 43.13 C ATOM 0 H LEU A 21 -9.425 3.813 -5.719 1.00 33.04 H new ATOM 0 HA LEU A 21 -8.958 2.623 -3.219 1.00 12.20 H new ATOM 0 HB2 LEU A 21 -10.058 4.731 -3.350 1.00 71.35 H new ATOM 0 HB3 LEU A 21 -11.261 4.130 -4.474 1.00 71.35 H new ATOM 0 HG LEU A 21 -12.157 2.675 -2.617 1.00 30.54 H new ATOM 0 HD11 LEU A 21 -11.563 3.301 -0.309 1.00 3.54 H new ATOM 0 HD12 LEU A 21 -10.166 2.647 -1.196 1.00 3.54 H new ATOM 0 HD13 LEU A 21 -10.312 4.401 -0.935 1.00 3.54 H new ATOM 0 HD21 LEU A 21 -13.337 4.529 -1.503 1.00 43.13 H new ATOM 0 HD22 LEU A 21 -12.156 5.678 -2.176 1.00 43.13 H new ATOM 0 HD23 LEU A 21 -13.236 4.773 -3.263 1.00 43.13 H new ATOM 321 N HIS A 22 -10.654 0.770 -2.819 1.00 42.24 N ATOM 322 CA HIS A 22 -11.383 -0.487 -2.701 1.00 31.45 C ATOM 323 C HIS A 22 -12.625 -0.315 -1.831 1.00 60.21 C ATOM 324 O HIS A 22 -12.587 0.363 -0.804 1.00 64.04 O ATOM 325 CB HIS A 22 -10.480 -1.571 -2.111 1.00 60.32 C ATOM 326 CG HIS A 22 -10.954 -2.964 -2.393 1.00 4.03 C ATOM 327 ND1 HIS A 22 -10.949 -3.966 -1.446 1.00 34.23 N ATOM 328 CD2 HIS A 22 -11.450 -3.519 -3.523 1.00 41.32 C ATOM 329 CE1 HIS A 22 -11.421 -5.078 -1.982 1.00 1.41 C ATOM 330 NE2 HIS A 22 -11.732 -4.833 -3.242 1.00 14.20 N ATOM 0 H HIS A 22 -10.257 1.111 -1.944 1.00 42.24 H new ATOM 0 HA HIS A 22 -11.699 -0.791 -3.699 1.00 31.45 H new ATOM 0 HB2 HIS A 22 -9.473 -1.451 -2.511 1.00 60.32 H new ATOM 0 HB3 HIS A 22 -10.414 -1.430 -1.032 1.00 60.32 H new ATOM 0 HD2 HIS A 22 -11.597 -3.021 -4.470 1.00 41.32 H new ATOM 0 HE1 HIS A 22 -11.533 -6.025 -1.476 1.00 1.41 H new ATOM 0 HE2 HIS A 22 -12.119 -5.510 -3.900 1.00 14.20 H new ATOM 338 N ASP A 23 -13.724 -0.933 -2.250 1.00 12.44 N ATOM 339 CA ASP A 23 -14.978 -0.848 -1.509 1.00 43.00 C ATOM 340 C ASP A 23 -14.840 -1.492 -0.133 1.00 12.42 C ATOM 341 O ASP A 23 -15.594 -1.177 0.788 1.00 21.44 O ATOM 342 CB ASP A 23 -16.104 -1.524 -2.292 1.00 30.50 C ATOM 343 CG ASP A 23 -17.287 -0.603 -2.517 1.00 31.53 C ATOM 344 OD1 ASP A 23 -17.199 0.270 -3.405 1.00 73.24 O ATOM 345 OD2 ASP A 23 -18.301 -0.756 -1.805 1.00 32.55 O ATOM 0 H ASP A 23 -13.772 -1.498 -3.098 1.00 12.44 H new ATOM 0 HA ASP A 23 -15.222 0.206 -1.374 1.00 43.00 H new ATOM 0 HB2 ASP A 23 -15.721 -1.861 -3.255 1.00 30.50 H new ATOM 0 HB3 ASP A 23 -16.436 -2.411 -1.753 1.00 30.50 H new ATOM 350 N SER A 24 -13.874 -2.395 -0.001 1.00 43.52 N ATOM 351 CA SER A 24 -13.641 -3.086 1.261 1.00 24.22 C ATOM 352 C SER A 24 -12.727 -2.268 2.168 1.00 1.24 C ATOM 353 O SER A 24 -12.930 -2.208 3.381 1.00 63.23 O ATOM 354 CB SER A 24 -13.025 -4.463 1.006 1.00 25.23 C ATOM 355 OG SER A 24 -13.628 -5.093 -0.110 1.00 74.40 O ATOM 0 H SER A 24 -13.240 -2.665 -0.753 1.00 43.52 H new ATOM 0 HA SER A 24 -14.602 -3.212 1.761 1.00 24.22 H new ATOM 0 HB2 SER A 24 -11.954 -4.359 0.834 1.00 25.23 H new ATOM 0 HB3 SER A 24 -13.147 -5.089 1.890 1.00 25.23 H new ATOM 0 HG SER A 24 -13.333 -6.026 -0.158 1.00 74.40 H new ATOM 361 N MET A 25 -11.720 -1.638 1.571 1.00 31.52 N ATOM 362 CA MET A 25 -10.775 -0.822 2.325 1.00 72.24 C ATOM 363 C MET A 25 -11.427 0.477 2.787 1.00 51.24 C ATOM 364 O MET A 25 -12.625 0.685 2.595 1.00 53.32 O ATOM 365 CB MET A 25 -9.543 -0.513 1.472 1.00 22.24 C ATOM 366 CG MET A 25 -9.743 0.649 0.514 1.00 43.42 C ATOM 367 SD MET A 25 -8.195 1.232 -0.204 1.00 4.13 S ATOM 368 CE MET A 25 -7.712 -0.195 -1.172 1.00 50.05 C ATOM 0 H MET A 25 -11.538 -1.677 0.568 1.00 31.52 H new ATOM 0 HA MET A 25 -10.467 -1.386 3.205 1.00 72.24 H new ATOM 0 HB2 MET A 25 -8.703 -0.291 2.130 1.00 22.24 H new ATOM 0 HB3 MET A 25 -9.274 -1.402 0.901 1.00 22.24 H new ATOM 0 HG2 MET A 25 -10.418 0.343 -0.286 1.00 43.42 H new ATOM 0 HG3 MET A 25 -10.226 1.471 1.042 1.00 43.42 H new ATOM 0 HE1 MET A 25 -6.629 -0.203 -1.293 1.00 50.05 H new ATOM 0 HE2 MET A 25 -8.027 -1.105 -0.661 1.00 50.05 H new ATOM 0 HE3 MET A 25 -8.186 -0.147 -2.152 1.00 50.05 H new ATOM 378 N LYS A 26 -10.631 1.349 3.397 1.00 72.13 N ATOM 379 CA LYS A 26 -11.130 2.629 3.886 1.00 63.22 C ATOM 380 C LYS A 26 -10.294 3.782 3.341 1.00 42.43 C ATOM 381 O LYS A 26 -10.825 4.839 2.997 1.00 33.33 O ATOM 382 CB LYS A 26 -11.116 2.654 5.416 1.00 73.31 C ATOM 383 CG LYS A 26 -12.493 2.826 6.033 1.00 33.55 C ATOM 384 CD LYS A 26 -13.206 1.492 6.187 1.00 2.30 C ATOM 385 CE LYS A 26 -14.591 1.667 6.791 1.00 60.13 C ATOM 386 NZ LYS A 26 -15.645 1.758 5.743 1.00 52.22 N ATOM 0 H LYS A 26 -9.637 1.192 3.565 1.00 72.13 H new ATOM 0 HA LYS A 26 -12.155 2.749 3.536 1.00 63.22 H new ATOM 0 HB2 LYS A 26 -10.676 1.726 5.782 1.00 73.31 H new ATOM 0 HB3 LYS A 26 -10.472 3.467 5.752 1.00 73.31 H new ATOM 0 HG2 LYS A 26 -12.399 3.304 7.008 1.00 33.55 H new ATOM 0 HG3 LYS A 26 -13.092 3.490 5.409 1.00 33.55 H new ATOM 0 HD2 LYS A 26 -13.291 1.009 5.214 1.00 2.30 H new ATOM 0 HD3 LYS A 26 -12.613 0.832 6.820 1.00 2.30 H new ATOM 0 HE2 LYS A 26 -14.808 0.828 7.452 1.00 60.13 H new ATOM 0 HE3 LYS A 26 -14.609 2.568 7.404 1.00 60.13 H new ATOM 0 HZ1 LYS A 26 -16.574 1.877 6.195 1.00 52.22 H new ATOM 0 HZ2 LYS A 26 -15.453 2.574 5.127 1.00 52.22 H new ATOM 0 HZ3 LYS A 26 -15.645 0.887 5.174 1.00 52.22 H new ATOM 400 N TYR A 27 -8.984 3.573 3.263 1.00 75.12 N ATOM 401 CA TYR A 27 -8.075 4.596 2.760 1.00 74.01 C ATOM 402 C TYR A 27 -7.051 3.992 1.804 1.00 1.21 C ATOM 403 O TYR A 27 -6.656 2.834 1.948 1.00 14.32 O ATOM 404 CB TYR A 27 -7.360 5.288 3.921 1.00 21.25 C ATOM 405 CG TYR A 27 -6.968 6.718 3.626 1.00 73.02 C ATOM 406 CD1 TYR A 27 -7.919 7.651 3.230 1.00 3.32 C ATOM 407 CD2 TYR A 27 -5.648 7.136 3.741 1.00 73.30 C ATOM 408 CE1 TYR A 27 -7.566 8.959 2.958 1.00 4.03 C ATOM 409 CE2 TYR A 27 -5.286 8.442 3.473 1.00 74.44 C ATOM 410 CZ TYR A 27 -6.248 9.349 3.081 1.00 14.34 C ATOM 411 OH TYR A 27 -5.892 10.651 2.812 1.00 64.32 O ATOM 0 H TYR A 27 -8.528 2.704 3.542 1.00 75.12 H new ATOM 0 HA TYR A 27 -8.664 5.333 2.214 1.00 74.01 H new ATOM 0 HB2 TYR A 27 -8.008 5.271 4.797 1.00 21.25 H new ATOM 0 HB3 TYR A 27 -6.465 4.720 4.176 1.00 21.25 H new ATOM 0 HD1 TYR A 27 -8.951 7.349 3.133 1.00 3.32 H new ATOM 0 HD2 TYR A 27 -4.892 6.428 4.045 1.00 73.30 H new ATOM 0 HE1 TYR A 27 -8.317 9.672 2.651 1.00 4.03 H new ATOM 0 HE2 TYR A 27 -4.256 8.751 3.570 1.00 74.44 H new ATOM 0 HH TYR A 27 -5.497 11.054 3.613 1.00 64.32 H new ATOM 421 N LEU A 28 -6.623 4.785 0.828 1.00 54.21 N ATOM 422 CA LEU A 28 -5.644 4.331 -0.153 1.00 42.11 C ATOM 423 C LEU A 28 -4.474 5.305 -0.245 1.00 44.22 C ATOM 424 O LEU A 28 -4.665 6.505 -0.446 1.00 62.54 O ATOM 425 CB LEU A 28 -6.302 4.175 -1.525 1.00 45.13 C ATOM 426 CG LEU A 28 -5.353 4.140 -2.724 1.00 50.22 C ATOM 427 CD1 LEU A 28 -4.250 3.117 -2.502 1.00 42.25 C ATOM 428 CD2 LEU A 28 -6.120 3.832 -4.002 1.00 62.00 C ATOM 0 H LEU A 28 -6.939 5.746 0.695 1.00 54.21 H new ATOM 0 HA LEU A 28 -5.262 3.363 0.172 1.00 42.11 H new ATOM 0 HB2 LEU A 28 -6.887 3.255 -1.523 1.00 45.13 H new ATOM 0 HB3 LEU A 28 -7.003 4.998 -1.665 1.00 45.13 H new ATOM 0 HG LEU A 28 -4.893 5.123 -2.828 1.00 50.22 H new ATOM 0 HD11 LEU A 28 -3.585 3.106 -3.365 1.00 42.25 H new ATOM 0 HD12 LEU A 28 -3.683 3.382 -1.610 1.00 42.25 H new ATOM 0 HD13 LEU A 28 -4.691 2.129 -2.372 1.00 42.25 H new ATOM 0 HD21 LEU A 28 -5.429 3.811 -4.845 1.00 62.00 H new ATOM 0 HD22 LEU A 28 -6.608 2.862 -3.909 1.00 62.00 H new ATOM 0 HD23 LEU A 28 -6.873 4.602 -4.169 1.00 62.00 H new ATOM 440 N VAL A 29 -3.261 4.781 -0.099 1.00 21.14 N ATOM 441 CA VAL A 29 -2.059 5.603 -0.169 1.00 1.14 C ATOM 442 C VAL A 29 -0.950 4.891 -0.934 1.00 65.21 C ATOM 443 O VAL A 29 -0.540 3.788 -0.571 1.00 62.11 O ATOM 444 CB VAL A 29 -1.545 5.967 1.237 1.00 15.51 C ATOM 445 CG1 VAL A 29 -0.247 6.754 1.144 1.00 24.52 C ATOM 446 CG2 VAL A 29 -2.600 6.753 2.002 1.00 70.10 C ATOM 0 H VAL A 29 -3.085 3.790 0.069 1.00 21.14 H new ATOM 0 HA VAL A 29 -2.331 6.517 -0.696 1.00 1.14 H new ATOM 0 HB VAL A 29 -1.345 5.044 1.782 1.00 15.51 H new ATOM 0 HG11 VAL A 29 0.101 7.002 2.147 1.00 24.52 H new ATOM 0 HG12 VAL A 29 0.508 6.153 0.637 1.00 24.52 H new ATOM 0 HG13 VAL A 29 -0.418 7.672 0.582 1.00 24.52 H new ATOM 0 HG21 VAL A 29 -2.221 7.002 2.993 1.00 70.10 H new ATOM 0 HG22 VAL A 29 -2.833 7.670 1.462 1.00 70.10 H new ATOM 0 HG23 VAL A 29 -3.503 6.150 2.100 1.00 70.10 H new ATOM 456 N TYR A 30 -0.467 5.528 -1.995 1.00 0.21 N ATOM 457 CA TYR A 30 0.594 4.955 -2.814 1.00 25.23 C ATOM 458 C TYR A 30 1.414 6.050 -3.488 1.00 43.43 C ATOM 459 O TYR A 30 0.940 7.171 -3.671 1.00 51.04 O ATOM 460 CB TYR A 30 0.004 4.020 -3.871 1.00 14.42 C ATOM 461 CG TYR A 30 -0.449 4.734 -5.125 1.00 22.13 C ATOM 462 CD1 TYR A 30 -1.698 5.338 -5.192 1.00 11.02 C ATOM 463 CD2 TYR A 30 0.374 4.805 -6.242 1.00 71.53 C ATOM 464 CE1 TYR A 30 -2.116 5.990 -6.336 1.00 4.22 C ATOM 465 CE2 TYR A 30 -0.035 5.456 -7.390 1.00 62.11 C ATOM 466 CZ TYR A 30 -1.280 6.047 -7.432 1.00 75.40 C ATOM 467 OH TYR A 30 -1.692 6.697 -8.573 1.00 32.41 O ATOM 0 H TYR A 30 -0.794 6.442 -2.308 1.00 0.21 H new ATOM 0 HA TYR A 30 1.253 4.383 -2.161 1.00 25.23 H new ATOM 0 HB2 TYR A 30 0.749 3.271 -4.138 1.00 14.42 H new ATOM 0 HB3 TYR A 30 -0.843 3.487 -3.440 1.00 14.42 H new ATOM 0 HD1 TYR A 30 -2.354 5.297 -4.335 1.00 11.02 H new ATOM 0 HD2 TYR A 30 1.350 4.344 -6.212 1.00 71.53 H new ATOM 0 HE1 TYR A 30 -3.091 6.452 -6.372 1.00 4.22 H new ATOM 0 HE2 TYR A 30 0.617 5.502 -8.250 1.00 62.11 H new ATOM 0 HH TYR A 30 -1.211 7.546 -8.658 1.00 32.41 H new ATOM 477 N GLN A 31 2.647 5.716 -3.856 1.00 1.41 N ATOM 478 CA GLN A 31 3.534 6.671 -4.510 1.00 53.24 C ATOM 479 C GLN A 31 4.413 5.977 -5.545 1.00 70.12 C ATOM 480 O GLN A 31 4.658 4.773 -5.461 1.00 31.13 O ATOM 481 CB GLN A 31 4.408 7.381 -3.475 1.00 33.44 C ATOM 482 CG GLN A 31 5.898 7.197 -3.709 1.00 5.34 C ATOM 483 CD GLN A 31 6.743 7.848 -2.631 1.00 33.04 C ATOM 484 OE1 GLN A 31 6.328 8.826 -2.007 1.00 64.41 O ATOM 485 NE2 GLN A 31 7.935 7.308 -2.405 1.00 35.31 N ATOM 0 H GLN A 31 3.054 4.792 -3.712 1.00 1.41 H new ATOM 0 HA GLN A 31 2.917 7.410 -5.021 1.00 53.24 H new ATOM 0 HB2 GLN A 31 4.176 8.446 -3.485 1.00 33.44 H new ATOM 0 HB3 GLN A 31 4.156 7.009 -2.482 1.00 33.44 H new ATOM 0 HG2 GLN A 31 6.127 6.132 -3.751 1.00 5.34 H new ATOM 0 HG3 GLN A 31 6.164 7.618 -4.678 1.00 5.34 H new ATOM 0 HE21 GLN A 31 8.239 6.498 -2.945 1.00 35.31 H new ATOM 0 HE22 GLN A 31 8.547 7.703 -1.691 1.00 35.31 H new ATOM 494 N THR A 32 4.886 6.744 -6.523 1.00 31.41 N ATOM 495 CA THR A 32 5.737 6.202 -7.575 1.00 53.22 C ATOM 496 C THR A 32 7.212 6.406 -7.249 1.00 33.11 C ATOM 497 O THR A 32 7.609 7.467 -6.768 1.00 62.43 O ATOM 498 CB THR A 32 5.429 6.853 -8.937 1.00 1.21 C ATOM 499 OG1 THR A 32 4.062 7.276 -8.980 1.00 53.01 O ATOM 500 CG2 THR A 32 5.701 5.881 -10.075 1.00 51.21 C ATOM 0 H THR A 32 4.694 7.742 -6.608 1.00 31.41 H new ATOM 0 HA THR A 32 5.525 5.134 -7.634 1.00 53.22 H new ATOM 0 HB THR A 32 6.080 7.719 -9.057 1.00 1.21 H new ATOM 0 HG1 THR A 32 3.875 7.690 -9.848 1.00 53.01 H new ATOM 0 HG21 THR A 32 5.476 6.363 -11.027 1.00 51.21 H new ATOM 0 HG22 THR A 32 6.750 5.584 -10.057 1.00 51.21 H new ATOM 0 HG23 THR A 32 5.072 4.998 -9.958 1.00 51.21 H new ATOM 508 N GLU A 33 8.019 5.383 -7.514 1.00 15.10 N ATOM 509 CA GLU A 33 9.451 5.452 -7.248 1.00 34.32 C ATOM 510 C GLU A 33 10.250 4.909 -8.429 1.00 1.11 C ATOM 511 O GLU A 33 9.724 4.169 -9.260 1.00 12.35 O ATOM 512 CB GLU A 33 9.795 4.666 -5.981 1.00 34.22 C ATOM 513 CG GLU A 33 9.690 5.488 -4.707 1.00 43.03 C ATOM 514 CD GLU A 33 9.648 4.628 -3.459 1.00 72.23 C ATOM 515 OE1 GLU A 33 8.582 4.041 -3.178 1.00 61.05 O ATOM 516 OE2 GLU A 33 10.681 4.542 -2.764 1.00 24.45 O ATOM 0 H GLU A 33 7.706 4.498 -7.912 1.00 15.10 H new ATOM 0 HA GLU A 33 9.718 6.499 -7.101 1.00 34.32 H new ATOM 0 HB2 GLU A 33 9.129 3.807 -5.905 1.00 34.22 H new ATOM 0 HB3 GLU A 33 10.809 4.276 -6.069 1.00 34.22 H new ATOM 0 HG2 GLU A 33 10.540 6.168 -4.647 1.00 43.03 H new ATOM 0 HG3 GLU A 33 8.792 6.104 -4.750 1.00 43.03 H new ATOM 523 N GLN A 34 11.524 5.283 -8.496 1.00 13.54 N ATOM 524 CA GLN A 34 12.395 4.836 -9.575 1.00 65.51 C ATOM 525 C GLN A 34 13.289 3.689 -9.113 1.00 51.12 C ATOM 526 O GLN A 34 13.788 3.692 -7.989 1.00 10.03 O ATOM 527 CB GLN A 34 13.255 5.996 -10.080 1.00 33.00 C ATOM 528 CG GLN A 34 13.330 6.083 -11.596 1.00 32.02 C ATOM 529 CD GLN A 34 14.537 6.865 -12.076 1.00 75.55 C ATOM 530 OE1 GLN A 34 14.412 7.789 -12.880 1.00 51.11 O ATOM 531 NE2 GLN A 34 15.714 6.497 -11.586 1.00 23.43 N ATOM 0 H GLN A 34 11.975 5.894 -7.815 1.00 13.54 H new ATOM 0 HA GLN A 34 11.766 4.478 -10.390 1.00 65.51 H new ATOM 0 HB2 GLN A 34 12.854 6.931 -9.690 1.00 33.00 H new ATOM 0 HB3 GLN A 34 14.264 5.891 -9.680 1.00 33.00 H new ATOM 0 HG2 GLN A 34 13.365 5.076 -12.013 1.00 32.02 H new ATOM 0 HG3 GLN A 34 12.423 6.554 -11.975 1.00 32.02 H new ATOM 0 HE21 GLN A 34 15.771 5.725 -10.922 1.00 23.43 H new ATOM 0 HE22 GLN A 34 16.562 6.986 -11.874 1.00 23.43 H new ATOM 540 N GLY A 35 13.486 2.709 -9.990 1.00 23.34 N ATOM 541 CA GLY A 35 14.319 1.569 -9.653 1.00 0.04 C ATOM 542 C GLY A 35 14.319 0.510 -10.737 1.00 41.12 C ATOM 543 O GLY A 35 13.602 0.630 -11.730 1.00 34.13 O ATOM 0 H GLY A 35 13.084 2.684 -10.927 1.00 23.34 H new ATOM 0 HA2 GLY A 35 15.341 1.908 -9.481 1.00 0.04 H new ATOM 0 HA3 GLY A 35 13.967 1.129 -8.720 1.00 0.04 H new ATOM 547 N GLU A 36 15.127 -0.528 -10.548 1.00 62.44 N ATOM 548 CA GLU A 36 15.219 -1.611 -11.521 1.00 33.11 C ATOM 549 C GLU A 36 14.925 -1.103 -12.930 1.00 31.34 C ATOM 550 O GLU A 36 13.788 -1.161 -13.397 1.00 61.32 O ATOM 551 CB GLU A 36 14.246 -2.735 -11.159 1.00 33.12 C ATOM 552 CG GLU A 36 12.868 -2.240 -10.752 1.00 21.03 C ATOM 553 CD GLU A 36 12.725 -2.082 -9.250 1.00 43.44 C ATOM 554 OE1 GLU A 36 13.194 -1.056 -8.714 1.00 54.23 O ATOM 555 OE2 GLU A 36 12.144 -2.984 -8.612 1.00 25.32 O ATOM 0 H GLU A 36 15.727 -0.642 -9.731 1.00 62.44 H new ATOM 0 HA GLU A 36 16.237 -2.000 -11.499 1.00 33.11 H new ATOM 0 HB2 GLU A 36 14.145 -3.405 -12.013 1.00 33.12 H new ATOM 0 HB3 GLU A 36 14.668 -3.321 -10.342 1.00 33.12 H new ATOM 0 HG2 GLU A 36 12.673 -1.282 -11.235 1.00 21.03 H new ATOM 0 HG3 GLU A 36 12.114 -2.939 -11.114 1.00 21.03 H new ATOM 562 N ALA A 37 15.959 -0.605 -13.600 1.00 75.12 N ATOM 563 CA ALA A 37 15.813 -0.089 -14.955 1.00 54.44 C ATOM 564 C ALA A 37 14.948 1.168 -14.974 1.00 64.40 C ATOM 565 O ALA A 37 14.493 1.635 -13.931 1.00 50.12 O ATOM 566 CB ALA A 37 15.219 -1.154 -15.865 1.00 54.20 C ATOM 0 H ALA A 37 16.906 -0.548 -13.226 1.00 75.12 H new ATOM 0 HA ALA A 37 16.803 0.177 -15.324 1.00 54.44 H new ATOM 0 HB1 ALA A 37 15.116 -0.754 -16.874 1.00 54.20 H new ATOM 0 HB2 ALA A 37 15.876 -2.023 -15.885 1.00 54.20 H new ATOM 0 HB3 ALA A 37 14.239 -1.448 -15.489 1.00 54.20 H new ATOM 572 N GLY A 38 14.727 1.711 -16.167 1.00 72.54 N ATOM 573 CA GLY A 38 13.918 2.909 -16.299 1.00 24.52 C ATOM 574 C GLY A 38 12.517 2.726 -15.750 1.00 62.54 C ATOM 575 O GLY A 38 11.888 3.684 -15.304 1.00 61.13 O ATOM 0 H GLY A 38 15.094 1.343 -17.045 1.00 72.54 H new ATOM 0 HA2 GLY A 38 14.405 3.732 -15.776 1.00 24.52 H new ATOM 0 HA3 GLY A 38 13.859 3.190 -17.351 1.00 24.52 H new ATOM 579 N ASN A 39 12.026 1.491 -15.785 1.00 65.20 N ATOM 580 CA ASN A 39 10.689 1.186 -15.290 1.00 21.34 C ATOM 581 C ASN A 39 10.487 1.750 -13.887 1.00 10.04 C ATOM 582 O ASN A 39 11.445 2.143 -13.221 1.00 4.02 O ATOM 583 CB ASN A 39 10.459 -0.327 -15.281 1.00 54.21 C ATOM 584 CG ASN A 39 10.953 -0.994 -16.550 1.00 23.22 C ATOM 585 OD1 ASN A 39 10.625 -0.568 -17.657 1.00 72.22 O ATOM 586 ND2 ASN A 39 11.748 -2.047 -16.393 1.00 53.24 N ATOM 0 H ASN A 39 12.534 0.686 -16.151 1.00 65.20 H new ATOM 0 HA ASN A 39 9.966 1.653 -15.958 1.00 21.34 H new ATOM 0 HB2 ASN A 39 10.968 -0.764 -14.422 1.00 54.21 H new ATOM 0 HB3 ASN A 39 9.395 -0.529 -15.158 1.00 54.21 H new ATOM 0 HD21 ASN A 39 12.113 -2.537 -17.210 1.00 53.24 H new ATOM 0 HD22 ASN A 39 11.994 -2.365 -15.456 1.00 53.24 H new ATOM 593 N ILE A 40 9.235 1.786 -13.444 1.00 54.22 N ATOM 594 CA ILE A 40 8.907 2.301 -12.120 1.00 62.43 C ATOM 595 C ILE A 40 8.143 1.265 -11.302 1.00 11.41 C ATOM 596 O ILE A 40 7.649 0.274 -11.840 1.00 50.02 O ATOM 597 CB ILE A 40 8.069 3.589 -12.209 1.00 12.54 C ATOM 598 CG1 ILE A 40 6.921 3.410 -13.204 1.00 71.02 C ATOM 599 CG2 ILE A 40 8.946 4.766 -12.610 1.00 63.41 C ATOM 600 CD1 ILE A 40 6.126 4.674 -13.444 1.00 14.22 C ATOM 0 H ILE A 40 8.431 1.465 -13.983 1.00 54.22 H new ATOM 0 HA ILE A 40 9.852 2.526 -11.625 1.00 62.43 H new ATOM 0 HB ILE A 40 7.644 3.796 -11.227 1.00 12.54 H new ATOM 0 HG12 ILE A 40 7.325 3.059 -14.153 1.00 71.02 H new ATOM 0 HG13 ILE A 40 6.250 2.633 -12.837 1.00 71.02 H new ATOM 0 HG21 ILE A 40 8.338 5.669 -12.669 1.00 63.41 H new ATOM 0 HG22 ILE A 40 9.731 4.904 -11.867 1.00 63.41 H new ATOM 0 HG23 ILE A 40 9.397 4.569 -13.582 1.00 63.41 H new ATOM 0 HD11 ILE A 40 5.329 4.472 -14.160 1.00 14.22 H new ATOM 0 HD12 ILE A 40 5.692 5.015 -12.504 1.00 14.22 H new ATOM 0 HD13 ILE A 40 6.783 5.447 -13.841 1.00 14.22 H new ATOM 612 N HIS A 41 8.048 1.503 -9.998 1.00 13.25 N ATOM 613 CA HIS A 41 7.341 0.592 -9.104 1.00 52.40 C ATOM 614 C HIS A 41 6.385 1.357 -8.193 1.00 41.44 C ATOM 615 O HIS A 41 6.627 2.516 -7.856 1.00 4.34 O ATOM 616 CB HIS A 41 8.337 -0.205 -8.262 1.00 61.32 C ATOM 617 CG HIS A 41 9.539 0.586 -7.847 1.00 63.23 C ATOM 618 ND1 HIS A 41 10.803 0.042 -7.755 1.00 60.14 N ATOM 619 CD2 HIS A 41 9.666 1.888 -7.501 1.00 14.14 C ATOM 620 CE1 HIS A 41 11.654 0.975 -7.368 1.00 64.03 C ATOM 621 NE2 HIS A 41 10.989 2.105 -7.207 1.00 64.23 N ATOM 0 H HIS A 41 8.451 2.318 -9.537 1.00 13.25 H new ATOM 0 HA HIS A 41 6.759 -0.098 -9.715 1.00 52.40 H new ATOM 0 HB2 HIS A 41 7.831 -0.576 -7.371 1.00 61.32 H new ATOM 0 HB3 HIS A 41 8.664 -1.076 -8.829 1.00 61.32 H new ATOM 0 HD1 HIS A 41 11.043 -0.929 -7.955 1.00 60.14 H new ATOM 0 HD2 HIS A 41 8.873 2.621 -7.463 1.00 14.14 H new ATOM 0 HE1 HIS A 41 12.713 0.837 -7.210 1.00 64.03 H new ATOM 629 N PHE A 42 5.298 0.702 -7.800 1.00 62.20 N ATOM 630 CA PHE A 42 4.305 1.321 -6.930 1.00 20.20 C ATOM 631 C PHE A 42 4.440 0.807 -5.499 1.00 53.44 C ATOM 632 O PHE A 42 4.475 -0.400 -5.264 1.00 3.13 O ATOM 633 CB PHE A 42 2.894 1.043 -7.453 1.00 21.03 C ATOM 634 CG PHE A 42 2.476 1.960 -8.566 1.00 11.40 C ATOM 635 CD1 PHE A 42 3.367 2.305 -9.569 1.00 42.22 C ATOM 636 CD2 PHE A 42 1.191 2.479 -8.609 1.00 25.51 C ATOM 637 CE1 PHE A 42 2.985 3.149 -10.595 1.00 64.03 C ATOM 638 CE2 PHE A 42 0.804 3.322 -9.633 1.00 10.34 C ATOM 639 CZ PHE A 42 1.702 3.659 -10.626 1.00 63.14 C ATOM 0 H PHE A 42 5.082 -0.258 -8.070 1.00 62.20 H new ATOM 0 HA PHE A 42 4.479 2.397 -6.929 1.00 20.20 H new ATOM 0 HB2 PHE A 42 2.842 0.012 -7.803 1.00 21.03 H new ATOM 0 HB3 PHE A 42 2.185 1.137 -6.630 1.00 21.03 H new ATOM 0 HD1 PHE A 42 4.372 1.910 -9.549 1.00 42.22 H new ATOM 0 HD2 PHE A 42 0.485 2.221 -7.834 1.00 25.51 H new ATOM 0 HE1 PHE A 42 3.689 3.409 -11.371 1.00 64.03 H new ATOM 0 HE2 PHE A 42 -0.201 3.717 -9.657 1.00 10.34 H new ATOM 0 HZ PHE A 42 1.402 4.320 -11.425 1.00 63.14 H new ATOM 649 N GLN A 43 4.515 1.734 -4.549 1.00 72.32 N ATOM 650 CA GLN A 43 4.647 1.375 -3.142 1.00 52.11 C ATOM 651 C GLN A 43 3.807 2.297 -2.264 1.00 44.42 C ATOM 652 O GLN A 43 3.462 3.408 -2.666 1.00 33.25 O ATOM 653 CB GLN A 43 6.114 1.439 -2.713 1.00 73.12 C ATOM 654 CG GLN A 43 6.825 0.097 -2.776 1.00 70.13 C ATOM 655 CD GLN A 43 8.327 0.239 -2.920 1.00 64.11 C ATOM 656 OE1 GLN A 43 9.055 0.292 -1.928 1.00 63.43 O ATOM 657 NE2 GLN A 43 8.801 0.302 -4.159 1.00 74.43 N ATOM 0 H GLN A 43 4.487 2.738 -4.728 1.00 72.32 H new ATOM 0 HA GLN A 43 4.284 0.355 -3.017 1.00 52.11 H new ATOM 0 HB2 GLN A 43 6.640 2.150 -3.351 1.00 73.12 H new ATOM 0 HB3 GLN A 43 6.170 1.823 -1.694 1.00 73.12 H new ATOM 0 HG2 GLN A 43 6.602 -0.471 -1.872 1.00 70.13 H new ATOM 0 HG3 GLN A 43 6.436 -0.477 -3.617 1.00 70.13 H new ATOM 0 HE21 GLN A 43 8.162 0.254 -4.953 1.00 74.43 H new ATOM 0 HE22 GLN A 43 9.804 0.398 -4.317 1.00 74.43 H new ATOM 666 N GLY A 44 3.482 1.829 -1.063 1.00 4.01 N ATOM 667 CA GLY A 44 2.685 2.624 -0.147 1.00 44.43 C ATOM 668 C GLY A 44 2.007 1.781 0.914 1.00 71.13 C ATOM 669 O GLY A 44 2.278 0.586 1.034 1.00 73.24 O ATOM 0 H GLY A 44 3.757 0.913 -0.708 1.00 4.01 H new ATOM 0 HA2 GLY A 44 3.323 3.365 0.335 1.00 44.43 H new ATOM 0 HA3 GLY A 44 1.929 3.172 -0.710 1.00 44.43 H new ATOM 673 N TYR A 45 1.124 2.403 1.687 1.00 41.42 N ATOM 674 CA TYR A 45 0.408 1.703 2.746 1.00 30.02 C ATOM 675 C TYR A 45 -1.100 1.775 2.524 1.00 23.42 C ATOM 676 O TYR A 45 -1.651 2.847 2.276 1.00 53.23 O ATOM 677 CB TYR A 45 0.763 2.298 4.110 1.00 33.00 C ATOM 678 CG TYR A 45 0.602 3.800 4.176 1.00 61.04 C ATOM 679 CD1 TYR A 45 1.593 4.646 3.693 1.00 13.33 C ATOM 680 CD2 TYR A 45 -0.541 4.373 4.719 1.00 32.24 C ATOM 681 CE1 TYR A 45 1.450 6.019 3.752 1.00 3.00 C ATOM 682 CE2 TYR A 45 -0.693 5.745 4.781 1.00 62.41 C ATOM 683 CZ TYR A 45 0.306 6.563 4.296 1.00 11.44 C ATOM 684 OH TYR A 45 0.160 7.930 4.355 1.00 14.45 O ATOM 0 H TYR A 45 0.887 3.391 1.600 1.00 41.42 H new ATOM 0 HA TYR A 45 0.711 0.656 2.724 1.00 30.02 H new ATOM 0 HB2 TYR A 45 0.133 1.840 4.872 1.00 33.00 H new ATOM 0 HB3 TYR A 45 1.794 2.041 4.352 1.00 33.00 H new ATOM 0 HD1 TYR A 45 2.490 4.223 3.264 1.00 13.33 H new ATOM 0 HD2 TYR A 45 -1.325 3.735 5.099 1.00 32.24 H new ATOM 0 HE1 TYR A 45 2.230 6.663 3.374 1.00 3.00 H new ATOM 0 HE2 TYR A 45 -1.588 6.174 5.206 1.00 62.41 H new ATOM 0 HH TYR A 45 -0.702 8.149 4.765 1.00 14.45 H new ATOM 694 N ILE A 46 -1.760 0.625 2.616 1.00 1.24 N ATOM 695 CA ILE A 46 -3.204 0.557 2.428 1.00 64.23 C ATOM 696 C ILE A 46 -3.886 -0.082 3.633 1.00 62.15 C ATOM 697 O ILE A 46 -3.507 -1.169 4.068 1.00 0.21 O ATOM 698 CB ILE A 46 -3.569 -0.241 1.162 1.00 22.31 C ATOM 699 CG1 ILE A 46 -2.922 0.392 -0.071 1.00 42.32 C ATOM 700 CG2 ILE A 46 -5.080 -0.311 0.998 1.00 64.24 C ATOM 701 CD1 ILE A 46 -2.865 -0.533 -1.266 1.00 63.23 C ATOM 0 H ILE A 46 -1.318 -0.271 2.819 1.00 1.24 H new ATOM 0 HA ILE A 46 -3.557 1.582 2.316 1.00 64.23 H new ATOM 0 HB ILE A 46 -3.187 -1.256 1.267 1.00 22.31 H new ATOM 0 HG12 ILE A 46 -3.478 1.289 -0.343 1.00 42.32 H new ATOM 0 HG13 ILE A 46 -1.910 0.708 0.182 1.00 42.32 H new ATOM 0 HG21 ILE A 46 -5.323 -0.878 0.099 1.00 64.24 H new ATOM 0 HG22 ILE A 46 -5.518 -0.803 1.867 1.00 64.24 H new ATOM 0 HG23 ILE A 46 -5.484 0.698 0.911 1.00 64.24 H new ATOM 0 HD11 ILE A 46 -2.394 -0.018 -2.103 1.00 63.23 H new ATOM 0 HD12 ILE A 46 -2.284 -1.420 -1.012 1.00 63.23 H new ATOM 0 HD13 ILE A 46 -3.876 -0.830 -1.545 1.00 63.23 H new ATOM 713 N GLU A 47 -4.895 0.600 4.165 1.00 71.00 N ATOM 714 CA GLU A 47 -5.631 0.098 5.319 1.00 20.42 C ATOM 715 C GLU A 47 -6.978 -0.482 4.896 1.00 42.33 C ATOM 716 O GLU A 47 -7.818 0.220 4.333 1.00 3.12 O ATOM 717 CB GLU A 47 -5.843 1.215 6.343 1.00 52.14 C ATOM 718 CG GLU A 47 -4.552 1.869 6.806 1.00 14.12 C ATOM 719 CD GLU A 47 -4.742 3.322 7.197 1.00 60.04 C ATOM 720 OE1 GLU A 47 -5.906 3.766 7.284 1.00 5.51 O ATOM 721 OE2 GLU A 47 -3.726 4.014 7.415 1.00 43.41 O ATOM 0 H GLU A 47 -5.221 1.501 3.816 1.00 71.00 H new ATOM 0 HA GLU A 47 -5.041 -0.696 5.776 1.00 20.42 H new ATOM 0 HB2 GLU A 47 -6.491 1.976 5.909 1.00 52.14 H new ATOM 0 HB3 GLU A 47 -6.365 0.808 7.209 1.00 52.14 H new ATOM 0 HG2 GLU A 47 -4.154 1.317 7.657 1.00 14.12 H new ATOM 0 HG3 GLU A 47 -3.811 1.805 6.010 1.00 14.12 H new ATOM 728 N MET A 48 -7.175 -1.767 5.170 1.00 20.00 N ATOM 729 CA MET A 48 -8.419 -2.441 4.818 1.00 14.12 C ATOM 730 C MET A 48 -9.508 -2.142 5.844 1.00 73.12 C ATOM 731 O MET A 48 -9.282 -1.415 6.811 1.00 40.51 O ATOM 732 CB MET A 48 -8.196 -3.951 4.719 1.00 32.24 C ATOM 733 CG MET A 48 -7.328 -4.361 3.541 1.00 25.43 C ATOM 734 SD MET A 48 -8.249 -5.262 2.279 1.00 5.44 S ATOM 735 CE MET A 48 -8.857 -3.909 1.275 1.00 33.12 C ATOM 0 H MET A 48 -6.489 -2.362 5.635 1.00 20.00 H new ATOM 0 HA MET A 48 -8.745 -2.065 3.848 1.00 14.12 H new ATOM 0 HB2 MET A 48 -7.733 -4.303 5.641 1.00 32.24 H new ATOM 0 HB3 MET A 48 -9.163 -4.448 4.638 1.00 32.24 H new ATOM 0 HG2 MET A 48 -6.884 -3.471 3.095 1.00 25.43 H new ATOM 0 HG3 MET A 48 -6.507 -4.982 3.899 1.00 25.43 H new ATOM 0 HE1 MET A 48 -9.929 -3.793 1.432 1.00 33.12 H new ATOM 0 HE2 MET A 48 -8.347 -2.988 1.558 1.00 33.12 H new ATOM 0 HE3 MET A 48 -8.665 -4.121 0.223 1.00 33.12 H new ATOM 745 N LYS A 49 -10.691 -2.708 5.626 1.00 2.35 N ATOM 746 CA LYS A 49 -11.815 -2.503 6.532 1.00 73.21 C ATOM 747 C LYS A 49 -11.429 -2.850 7.966 1.00 31.21 C ATOM 748 O LYS A 49 -11.508 -2.009 8.862 1.00 23.51 O ATOM 749 CB LYS A 49 -13.010 -3.353 6.094 1.00 31.43 C ATOM 750 CG LYS A 49 -14.325 -2.593 6.078 1.00 44.50 C ATOM 751 CD LYS A 49 -15.324 -3.226 5.125 1.00 62.14 C ATOM 752 CE LYS A 49 -15.779 -4.590 5.620 1.00 61.33 C ATOM 753 NZ LYS A 49 -16.837 -4.478 6.661 1.00 11.44 N ATOM 0 H LYS A 49 -10.896 -3.312 4.830 1.00 2.35 H new ATOM 0 HA LYS A 49 -12.092 -1.450 6.495 1.00 73.21 H new ATOM 0 HB2 LYS A 49 -12.817 -3.749 5.097 1.00 31.43 H new ATOM 0 HB3 LYS A 49 -13.102 -4.208 6.764 1.00 31.43 H new ATOM 0 HG2 LYS A 49 -14.745 -2.570 7.084 1.00 44.50 H new ATOM 0 HG3 LYS A 49 -14.145 -1.559 5.784 1.00 44.50 H new ATOM 0 HD2 LYS A 49 -16.188 -2.571 5.014 1.00 62.14 H new ATOM 0 HD3 LYS A 49 -14.873 -3.328 4.138 1.00 62.14 H new ATOM 0 HE2 LYS A 49 -16.156 -5.174 4.780 1.00 61.33 H new ATOM 0 HE3 LYS A 49 -14.925 -5.132 6.027 1.00 61.33 H new ATOM 0 HZ1 LYS A 49 -17.120 -5.429 6.972 1.00 11.44 H new ATOM 0 HZ2 LYS A 49 -16.469 -3.943 7.473 1.00 11.44 H new ATOM 0 HZ3 LYS A 49 -17.662 -3.983 6.266 1.00 11.44 H new ATOM 767 N LYS A 50 -11.010 -4.093 8.177 1.00 71.41 N ATOM 768 CA LYS A 50 -10.608 -4.552 9.502 1.00 55.35 C ATOM 769 C LYS A 50 -10.197 -6.020 9.468 1.00 73.24 C ATOM 770 O LYS A 50 -9.013 -6.345 9.556 1.00 31.01 O ATOM 771 CB LYS A 50 -11.751 -4.354 10.500 1.00 1.13 C ATOM 772 CG LYS A 50 -11.456 -3.309 11.563 1.00 71.04 C ATOM 773 CD LYS A 50 -12.698 -2.968 12.369 1.00 40.10 C ATOM 774 CE LYS A 50 -12.846 -3.880 13.577 1.00 3.34 C ATOM 775 NZ LYS A 50 -14.048 -3.538 14.387 1.00 51.53 N ATOM 0 H LYS A 50 -10.940 -4.802 7.447 1.00 71.41 H new ATOM 0 HA LYS A 50 -9.749 -3.960 9.820 1.00 55.35 H new ATOM 0 HB2 LYS A 50 -12.650 -4.064 9.957 1.00 1.13 H new ATOM 0 HB3 LYS A 50 -11.966 -5.305 10.987 1.00 1.13 H new ATOM 0 HG2 LYS A 50 -10.678 -3.678 12.231 1.00 71.04 H new ATOM 0 HG3 LYS A 50 -11.069 -2.407 11.090 1.00 71.04 H new ATOM 0 HD2 LYS A 50 -12.645 -1.931 12.699 1.00 40.10 H new ATOM 0 HD3 LYS A 50 -13.580 -3.056 11.735 1.00 40.10 H new ATOM 0 HE2 LYS A 50 -12.915 -4.915 13.244 1.00 3.34 H new ATOM 0 HE3 LYS A 50 -11.955 -3.805 14.200 1.00 3.34 H new ATOM 0 HZ1 LYS A 50 -14.113 -4.182 15.201 1.00 51.53 H new ATOM 0 HZ2 LYS A 50 -13.970 -2.558 14.727 1.00 51.53 H new ATOM 0 HZ3 LYS A 50 -14.901 -3.634 13.800 1.00 51.53 H new ATOM 789 N ARG A 51 -11.182 -6.903 9.338 1.00 52.03 N ATOM 790 CA ARG A 51 -10.922 -8.337 9.292 1.00 50.33 C ATOM 791 C ARG A 51 -10.710 -8.805 7.855 1.00 74.10 C ATOM 792 O ARG A 51 -11.274 -9.814 7.429 1.00 14.32 O ATOM 793 CB ARG A 51 -12.082 -9.108 9.925 1.00 4.41 C ATOM 794 CG ARG A 51 -11.668 -10.437 10.535 1.00 11.24 C ATOM 795 CD ARG A 51 -11.461 -10.320 12.037 1.00 4.23 C ATOM 796 NE ARG A 51 -10.631 -11.401 12.561 1.00 23.31 N ATOM 797 CZ ARG A 51 -11.085 -12.627 12.799 1.00 3.22 C ATOM 798 NH1 ARG A 51 -12.354 -12.925 12.561 1.00 55.20 N ATOM 799 NH2 ARG A 51 -10.268 -13.557 13.276 1.00 23.30 N ATOM 0 H ARG A 51 -12.167 -6.650 9.263 1.00 52.03 H new ATOM 0 HA ARG A 51 -10.012 -8.534 9.858 1.00 50.33 H new ATOM 0 HB2 ARG A 51 -12.539 -8.490 10.698 1.00 4.41 H new ATOM 0 HB3 ARG A 51 -12.845 -9.287 9.167 1.00 4.41 H new ATOM 0 HG2 ARG A 51 -12.432 -11.187 10.329 1.00 11.24 H new ATOM 0 HG3 ARG A 51 -10.747 -10.783 10.066 1.00 11.24 H new ATOM 0 HD2 ARG A 51 -10.994 -9.362 12.265 1.00 4.23 H new ATOM 0 HD3 ARG A 51 -12.429 -10.331 12.538 1.00 4.23 H new ATOM 0 HE ARG A 51 -9.649 -11.204 12.755 1.00 23.31 H new ATOM 0 HH11 ARG A 51 -12.985 -12.213 12.194 1.00 55.20 H new ATOM 0 HH12 ARG A 51 -12.700 -13.867 12.745 1.00 55.20 H new ATOM 0 HH21 ARG A 51 -9.291 -13.331 13.460 1.00 23.30 H new ATOM 0 HH22 ARG A 51 -10.617 -14.498 13.458 1.00 23.30 H new ATOM 813 N THR A 52 -9.894 -8.065 7.111 1.00 62.41 N ATOM 814 CA THR A 52 -9.609 -8.403 5.722 1.00 22.21 C ATOM 815 C THR A 52 -8.189 -8.935 5.566 1.00 44.52 C ATOM 816 O THR A 52 -7.217 -8.216 5.801 1.00 54.31 O ATOM 817 CB THR A 52 -9.793 -7.185 4.798 1.00 15.53 C ATOM 818 OG1 THR A 52 -10.635 -6.213 5.431 1.00 63.44 O ATOM 819 CG2 THR A 52 -10.403 -7.601 3.468 1.00 25.21 C ATOM 0 H THR A 52 -9.419 -7.227 7.447 1.00 62.41 H new ATOM 0 HA THR A 52 -10.319 -9.179 5.434 1.00 22.21 H new ATOM 0 HB THR A 52 -8.812 -6.749 4.609 1.00 15.53 H new ATOM 0 HG1 THR A 52 -11.005 -5.610 4.753 1.00 63.44 H new ATOM 0 HG21 THR A 52 -10.523 -6.724 2.833 1.00 25.21 H new ATOM 0 HG22 THR A 52 -9.747 -8.319 2.975 1.00 25.21 H new ATOM 0 HG23 THR A 52 -11.377 -8.059 3.642 1.00 25.21 H new ATOM 827 N SER A 53 -8.075 -10.197 5.167 1.00 62.31 N ATOM 828 CA SER A 53 -6.772 -10.826 4.982 1.00 71.00 C ATOM 829 C SER A 53 -6.129 -10.370 3.676 1.00 51.41 C ATOM 830 O SER A 53 -6.705 -9.576 2.930 1.00 34.25 O ATOM 831 CB SER A 53 -6.912 -12.350 4.990 1.00 42.52 C ATOM 832 OG SER A 53 -8.122 -12.754 4.374 1.00 14.21 O ATOM 0 H SER A 53 -8.869 -10.805 4.965 1.00 62.31 H new ATOM 0 HA SER A 53 -6.129 -10.523 5.808 1.00 71.00 H new ATOM 0 HB2 SER A 53 -6.067 -12.799 4.468 1.00 42.52 H new ATOM 0 HB3 SER A 53 -6.883 -12.716 6.016 1.00 42.52 H new ATOM 0 HG SER A 53 -8.187 -13.732 4.390 1.00 14.21 H new ATOM 838 N LEU A 54 -4.931 -10.876 3.405 1.00 34.20 N ATOM 839 CA LEU A 54 -4.208 -10.522 2.189 1.00 41.32 C ATOM 840 C LEU A 54 -5.078 -10.737 0.955 1.00 74.10 C ATOM 841 O LEU A 54 -4.924 -10.049 -0.054 1.00 24.53 O ATOM 842 CB LEU A 54 -2.927 -11.350 2.074 1.00 1.12 C ATOM 843 CG LEU A 54 -2.001 -10.997 0.910 1.00 52.55 C ATOM 844 CD1 LEU A 54 -1.739 -9.499 0.871 1.00 12.03 C ATOM 845 CD2 LEU A 54 -0.693 -11.766 1.016 1.00 63.22 C ATOM 0 H LEU A 54 -4.440 -11.533 4.011 1.00 34.20 H new ATOM 0 HA LEU A 54 -3.947 -9.465 2.247 1.00 41.32 H new ATOM 0 HB2 LEU A 54 -2.366 -11.245 3.003 1.00 1.12 H new ATOM 0 HB3 LEU A 54 -3.204 -12.400 1.986 1.00 1.12 H new ATOM 0 HG LEU A 54 -2.493 -11.283 -0.019 1.00 52.55 H new ATOM 0 HD11 LEU A 54 -1.078 -9.267 0.036 1.00 12.03 H new ATOM 0 HD12 LEU A 54 -2.682 -8.968 0.745 1.00 12.03 H new ATOM 0 HD13 LEU A 54 -1.269 -9.188 1.804 1.00 12.03 H new ATOM 0 HD21 LEU A 54 -0.047 -11.502 0.179 1.00 63.22 H new ATOM 0 HD22 LEU A 54 -0.196 -11.512 1.952 1.00 63.22 H new ATOM 0 HD23 LEU A 54 -0.897 -12.836 0.993 1.00 63.22 H new ATOM 857 N ALA A 55 -5.995 -11.695 1.044 1.00 14.00 N ATOM 858 CA ALA A 55 -6.894 -11.998 -0.063 1.00 45.03 C ATOM 859 C ALA A 55 -7.618 -10.744 -0.541 1.00 61.24 C ATOM 860 O ALA A 55 -7.936 -10.611 -1.722 1.00 63.45 O ATOM 861 CB ALA A 55 -7.897 -13.065 0.348 1.00 70.20 C ATOM 0 H ALA A 55 -6.135 -12.275 1.872 1.00 14.00 H new ATOM 0 HA ALA A 55 -6.296 -12.378 -0.891 1.00 45.03 H new ATOM 0 HB1 ALA A 55 -8.562 -13.281 -0.488 1.00 70.20 H new ATOM 0 HB2 ALA A 55 -7.366 -13.973 0.633 1.00 70.20 H new ATOM 0 HB3 ALA A 55 -8.483 -12.707 1.194 1.00 70.20 H new ATOM 867 N GLY A 56 -7.877 -9.826 0.385 1.00 61.11 N ATOM 868 CA GLY A 56 -8.563 -8.595 0.038 1.00 31.30 C ATOM 869 C GLY A 56 -7.697 -7.661 -0.783 1.00 54.43 C ATOM 870 O GLY A 56 -8.146 -7.112 -1.789 1.00 53.31 O ATOM 0 H GLY A 56 -7.624 -9.913 1.369 1.00 61.11 H new ATOM 0 HA2 GLY A 56 -9.468 -8.832 -0.521 1.00 31.30 H new ATOM 0 HA3 GLY A 56 -8.876 -8.087 0.950 1.00 31.30 H new ATOM 874 N MET A 57 -6.453 -7.478 -0.353 1.00 53.13 N ATOM 875 CA MET A 57 -5.523 -6.602 -1.056 1.00 60.24 C ATOM 876 C MET A 57 -5.067 -7.234 -2.368 1.00 14.10 C ATOM 877 O MET A 57 -5.076 -6.588 -3.416 1.00 40.01 O ATOM 878 CB MET A 57 -4.310 -6.298 -0.175 1.00 31.21 C ATOM 879 CG MET A 57 -4.659 -5.551 1.102 1.00 42.31 C ATOM 880 SD MET A 57 -4.524 -3.762 0.919 1.00 63.14 S ATOM 881 CE MET A 57 -5.993 -3.408 -0.042 1.00 73.22 C ATOM 0 H MET A 57 -6.066 -7.924 0.478 1.00 53.13 H new ATOM 0 HA MET A 57 -6.041 -5.670 -1.282 1.00 60.24 H new ATOM 0 HB2 MET A 57 -3.816 -7.234 0.085 1.00 31.21 H new ATOM 0 HB3 MET A 57 -3.594 -5.708 -0.747 1.00 31.21 H new ATOM 0 HG2 MET A 57 -5.676 -5.806 1.401 1.00 42.31 H new ATOM 0 HG3 MET A 57 -3.998 -5.881 1.904 1.00 42.31 H new ATOM 0 HE1 MET A 57 -5.704 -3.048 -1.029 1.00 73.22 H new ATOM 0 HE2 MET A 57 -6.587 -4.316 -0.147 1.00 73.22 H new ATOM 0 HE3 MET A 57 -6.584 -2.644 0.464 1.00 73.22 H new ATOM 891 N LYS A 58 -4.670 -8.500 -2.303 1.00 4.11 N ATOM 892 CA LYS A 58 -4.211 -9.220 -3.485 1.00 32.10 C ATOM 893 C LYS A 58 -5.255 -9.162 -4.596 1.00 63.30 C ATOM 894 O LYS A 58 -4.916 -9.147 -5.780 1.00 13.33 O ATOM 895 CB LYS A 58 -3.906 -10.678 -3.133 1.00 1.21 C ATOM 896 CG LYS A 58 -2.879 -11.322 -4.048 1.00 30.31 C ATOM 897 CD LYS A 58 -2.574 -12.750 -3.626 1.00 1.34 C ATOM 898 CE LYS A 58 -1.984 -12.802 -2.225 1.00 22.43 C ATOM 899 NZ LYS A 58 -0.844 -11.857 -2.067 1.00 13.31 N ATOM 0 H LYS A 58 -4.657 -9.049 -1.444 1.00 4.11 H new ATOM 0 HA LYS A 58 -3.299 -8.740 -3.841 1.00 32.10 H new ATOM 0 HB2 LYS A 58 -3.546 -10.727 -2.105 1.00 1.21 H new ATOM 0 HB3 LYS A 58 -4.830 -11.254 -3.175 1.00 1.21 H new ATOM 0 HG2 LYS A 58 -3.249 -11.316 -5.073 1.00 30.31 H new ATOM 0 HG3 LYS A 58 -1.961 -10.734 -4.037 1.00 30.31 H new ATOM 0 HD2 LYS A 58 -3.488 -13.344 -3.660 1.00 1.34 H new ATOM 0 HD3 LYS A 58 -1.876 -13.199 -4.333 1.00 1.34 H new ATOM 0 HE2 LYS A 58 -2.758 -12.562 -1.496 1.00 22.43 H new ATOM 0 HE3 LYS A 58 -1.647 -13.816 -2.010 1.00 22.43 H new ATOM 0 HZ1 LYS A 58 -0.103 -12.301 -1.487 1.00 13.31 H new ATOM 0 HZ2 LYS A 58 -0.457 -11.621 -3.003 1.00 13.31 H new ATOM 0 HZ3 LYS A 58 -1.175 -10.989 -1.600 1.00 13.31 H new ATOM 913 N LYS A 59 -6.525 -9.129 -4.207 1.00 62.14 N ATOM 914 CA LYS A 59 -7.619 -9.070 -5.170 1.00 4.13 C ATOM 915 C LYS A 59 -7.498 -7.834 -6.055 1.00 41.13 C ATOM 916 O LYS A 59 -7.894 -7.852 -7.222 1.00 24.23 O ATOM 917 CB LYS A 59 -8.965 -9.060 -4.442 1.00 51.25 C ATOM 918 CG LYS A 59 -10.137 -9.448 -5.327 1.00 71.50 C ATOM 919 CD LYS A 59 -11.302 -9.978 -4.508 1.00 54.30 C ATOM 920 CE LYS A 59 -12.563 -10.105 -5.350 1.00 22.42 C ATOM 921 NZ LYS A 59 -13.386 -8.865 -5.307 1.00 33.41 N ATOM 0 H LYS A 59 -6.822 -9.142 -3.231 1.00 62.14 H new ATOM 0 HA LYS A 59 -7.562 -9.955 -5.803 1.00 4.13 H new ATOM 0 HB2 LYS A 59 -8.916 -9.746 -3.596 1.00 51.25 H new ATOM 0 HB3 LYS A 59 -9.141 -8.064 -4.035 1.00 51.25 H new ATOM 0 HG2 LYS A 59 -10.461 -8.582 -5.904 1.00 71.50 H new ATOM 0 HG3 LYS A 59 -9.819 -10.207 -6.042 1.00 71.50 H new ATOM 0 HD2 LYS A 59 -11.042 -10.951 -4.091 1.00 54.30 H new ATOM 0 HD3 LYS A 59 -11.490 -9.311 -3.667 1.00 54.30 H new ATOM 0 HE2 LYS A 59 -12.290 -10.324 -6.382 1.00 22.42 H new ATOM 0 HE3 LYS A 59 -13.156 -10.947 -4.992 1.00 22.42 H new ATOM 0 HZ1 LYS A 59 -14.236 -8.992 -5.893 1.00 33.41 H new ATOM 0 HZ2 LYS A 59 -13.668 -8.670 -4.325 1.00 33.41 H new ATOM 0 HZ3 LYS A 59 -12.830 -8.066 -5.673 1.00 33.41 H new ATOM 935 N LEU A 60 -6.948 -6.762 -5.495 1.00 71.03 N ATOM 936 CA LEU A 60 -6.774 -5.517 -6.235 1.00 3.20 C ATOM 937 C LEU A 60 -5.553 -5.591 -7.146 1.00 61.35 C ATOM 938 O LEU A 60 -5.577 -5.097 -8.274 1.00 72.52 O ATOM 939 CB LEU A 60 -6.630 -4.341 -5.267 1.00 34.33 C ATOM 940 CG LEU A 60 -7.922 -3.849 -4.613 1.00 51.43 C ATOM 941 CD1 LEU A 60 -8.373 -4.813 -3.528 1.00 22.54 C ATOM 942 CD2 LEU A 60 -7.731 -2.451 -4.042 1.00 34.21 C ATOM 0 H LEU A 60 -6.615 -6.730 -4.531 1.00 71.03 H new ATOM 0 HA LEU A 60 -7.658 -5.365 -6.854 1.00 3.20 H new ATOM 0 HB2 LEU A 60 -5.934 -4.628 -4.479 1.00 34.33 H new ATOM 0 HB3 LEU A 60 -6.178 -3.507 -5.804 1.00 34.33 H new ATOM 0 HG LEU A 60 -8.699 -3.806 -5.376 1.00 51.43 H new ATOM 0 HD11 LEU A 60 -9.294 -4.446 -3.075 1.00 22.54 H new ATOM 0 HD12 LEU A 60 -8.551 -5.796 -3.965 1.00 22.54 H new ATOM 0 HD13 LEU A 60 -7.598 -4.890 -2.765 1.00 22.54 H new ATOM 0 HD21 LEU A 60 -8.660 -2.116 -3.580 1.00 34.21 H new ATOM 0 HD22 LEU A 60 -6.940 -2.469 -3.293 1.00 34.21 H new ATOM 0 HD23 LEU A 60 -7.456 -1.765 -4.843 1.00 34.21 H new ATOM 954 N ILE A 61 -4.488 -6.213 -6.651 1.00 73.21 N ATOM 955 CA ILE A 61 -3.260 -6.355 -7.422 1.00 64.14 C ATOM 956 C ILE A 61 -2.634 -7.730 -7.212 1.00 53.02 C ATOM 957 O ILE A 61 -1.651 -7.888 -6.488 1.00 70.13 O ATOM 958 CB ILE A 61 -2.231 -5.273 -7.046 1.00 44.32 C ATOM 959 CG1 ILE A 61 -2.834 -3.879 -7.229 1.00 53.34 C ATOM 960 CG2 ILE A 61 -0.971 -5.425 -7.886 1.00 0.23 C ATOM 961 CD1 ILE A 61 -3.426 -3.305 -5.961 1.00 32.20 C ATOM 0 H ILE A 61 -4.451 -6.627 -5.719 1.00 73.21 H new ATOM 0 HA ILE A 61 -3.532 -6.238 -8.471 1.00 64.14 H new ATOM 0 HB ILE A 61 -1.962 -5.397 -5.997 1.00 44.32 H new ATOM 0 HG12 ILE A 61 -2.062 -3.204 -7.598 1.00 53.34 H new ATOM 0 HG13 ILE A 61 -3.609 -3.925 -7.994 1.00 53.34 H new ATOM 0 HG21 ILE A 61 -0.253 -4.653 -7.608 1.00 0.23 H new ATOM 0 HG22 ILE A 61 -0.533 -6.408 -7.710 1.00 0.23 H new ATOM 0 HG23 ILE A 61 -1.223 -5.323 -8.942 1.00 0.23 H new ATOM 0 HD11 ILE A 61 -3.835 -2.316 -6.166 1.00 32.20 H new ATOM 0 HD12 ILE A 61 -4.221 -3.959 -5.602 1.00 32.20 H new ATOM 0 HD13 ILE A 61 -2.650 -3.226 -5.200 1.00 32.20 H new ATOM 973 N PRO A 62 -3.216 -8.750 -7.861 1.00 3.20 N ATOM 974 CA PRO A 62 -2.731 -10.130 -7.763 1.00 2.31 C ATOM 975 C PRO A 62 -1.388 -10.323 -8.460 1.00 34.32 C ATOM 976 O PRO A 62 -1.322 -10.421 -9.684 1.00 71.53 O ATOM 977 CB PRO A 62 -3.821 -10.940 -8.468 1.00 53.14 C ATOM 978 CG PRO A 62 -4.457 -9.978 -9.412 1.00 60.20 C ATOM 979 CD PRO A 62 -4.391 -8.634 -8.741 1.00 21.33 C ATOM 0 HA PRO A 62 -2.560 -10.430 -6.729 1.00 2.31 H new ATOM 0 HB2 PRO A 62 -3.399 -11.794 -8.998 1.00 53.14 H new ATOM 0 HB3 PRO A 62 -4.546 -11.333 -7.755 1.00 53.14 H new ATOM 0 HG2 PRO A 62 -3.932 -9.964 -10.367 1.00 60.20 H new ATOM 0 HG3 PRO A 62 -5.489 -10.260 -9.620 1.00 60.20 H new ATOM 0 HD2 PRO A 62 -4.272 -7.828 -9.466 1.00 21.33 H new ATOM 0 HD3 PRO A 62 -5.298 -8.423 -8.175 1.00 21.33 H new ATOM 987 N GLY A 63 -0.319 -10.378 -7.671 1.00 14.02 N ATOM 988 CA GLY A 63 1.007 -10.560 -8.230 1.00 41.05 C ATOM 989 C GLY A 63 1.996 -9.529 -7.724 1.00 25.41 C ATOM 990 O GLY A 63 2.739 -8.936 -8.505 1.00 41.42 O ATOM 0 H GLY A 63 -0.348 -10.300 -6.654 1.00 14.02 H new ATOM 0 HA2 GLY A 63 1.369 -11.558 -7.982 1.00 41.05 H new ATOM 0 HA3 GLY A 63 0.951 -10.502 -9.317 1.00 41.05 H new ATOM 994 N ALA A 64 2.006 -9.315 -6.412 1.00 51.04 N ATOM 995 CA ALA A 64 2.912 -8.349 -5.803 1.00 33.44 C ATOM 996 C ALA A 64 3.364 -8.816 -4.423 1.00 61.22 C ATOM 997 O ALA A 64 2.857 -9.806 -3.894 1.00 70.04 O ATOM 998 CB ALA A 64 2.243 -6.986 -5.708 1.00 4.24 C ATOM 0 H ALA A 64 1.397 -9.797 -5.751 1.00 51.04 H new ATOM 0 HA ALA A 64 3.795 -8.265 -6.437 1.00 33.44 H new ATOM 0 HB1 ALA A 64 2.931 -6.274 -5.251 1.00 4.24 H new ATOM 0 HB2 ALA A 64 1.975 -6.642 -6.707 1.00 4.24 H new ATOM 0 HB3 ALA A 64 1.343 -7.064 -5.098 1.00 4.24 H new ATOM 1004 N HIS A 65 4.322 -8.098 -3.845 1.00 72.11 N ATOM 1005 CA HIS A 65 4.843 -8.439 -2.526 1.00 73.42 C ATOM 1006 C HIS A 65 4.122 -7.651 -1.437 1.00 10.03 C ATOM 1007 O HIS A 65 4.264 -6.432 -1.341 1.00 41.34 O ATOM 1008 CB HIS A 65 6.345 -8.165 -2.461 1.00 44.33 C ATOM 1009 CG HIS A 65 7.042 -8.904 -1.361 1.00 4.54 C ATOM 1010 ND1 HIS A 65 8.209 -8.457 -0.775 1.00 75.35 N ATOM 1011 CD2 HIS A 65 6.730 -10.064 -0.737 1.00 44.22 C ATOM 1012 CE1 HIS A 65 8.585 -9.312 0.159 1.00 74.00 C ATOM 1013 NE2 HIS A 65 7.704 -10.296 0.203 1.00 43.33 N ATOM 0 H HIS A 65 4.753 -7.277 -4.269 1.00 72.11 H new ATOM 0 HA HIS A 65 4.668 -9.502 -2.357 1.00 73.42 H new ATOM 0 HB2 HIS A 65 6.797 -8.438 -3.414 1.00 44.33 H new ATOM 0 HB3 HIS A 65 6.505 -7.095 -2.327 1.00 44.33 H new ATOM 0 HD2 HIS A 65 5.874 -10.691 -0.941 1.00 44.22 H new ATOM 0 HE1 HIS A 65 9.463 -9.222 0.781 1.00 74.00 H new ATOM 0 HE2 HIS A 65 7.741 -11.098 0.833 1.00 43.33 H new ATOM 1021 N PHE A 66 3.348 -8.355 -0.618 1.00 13.14 N ATOM 1022 CA PHE A 66 2.603 -7.721 0.464 1.00 2.40 C ATOM 1023 C PHE A 66 3.137 -8.162 1.824 1.00 44.34 C ATOM 1024 O PHE A 66 3.776 -9.207 1.941 1.00 11.12 O ATOM 1025 CB PHE A 66 1.115 -8.059 0.354 1.00 0.20 C ATOM 1026 CG PHE A 66 0.312 -7.008 -0.358 1.00 4.41 C ATOM 1027 CD1 PHE A 66 0.313 -6.935 -1.742 1.00 22.35 C ATOM 1028 CD2 PHE A 66 -0.442 -6.091 0.357 1.00 73.33 C ATOM 1029 CE1 PHE A 66 -0.425 -5.969 -2.400 1.00 24.42 C ATOM 1030 CE2 PHE A 66 -1.182 -5.124 -0.296 1.00 53.40 C ATOM 1031 CZ PHE A 66 -1.172 -5.062 -1.676 1.00 14.31 C ATOM 0 H PHE A 66 3.220 -9.365 -0.683 1.00 13.14 H new ATOM 0 HA PHE A 66 2.731 -6.642 0.376 1.00 2.40 H new ATOM 0 HB2 PHE A 66 1.004 -9.007 -0.171 1.00 0.20 H new ATOM 0 HB3 PHE A 66 0.708 -8.200 1.355 1.00 0.20 H new ATOM 0 HD1 PHE A 66 0.897 -7.641 -2.313 1.00 22.35 H new ATOM 0 HD2 PHE A 66 -0.451 -6.133 1.436 1.00 73.33 H new ATOM 0 HE1 PHE A 66 -0.417 -5.924 -3.479 1.00 24.42 H new ATOM 0 HE2 PHE A 66 -1.768 -4.417 0.272 1.00 53.40 H new ATOM 0 HZ PHE A 66 -1.748 -4.305 -2.188 1.00 14.31 H new ATOM 1041 N GLU A 67 2.871 -7.356 2.847 1.00 21.21 N ATOM 1042 CA GLU A 67 3.326 -7.663 4.198 1.00 3.31 C ATOM 1043 C GLU A 67 2.427 -7.001 5.238 1.00 21.14 C ATOM 1044 O GLU A 67 2.313 -5.776 5.289 1.00 24.21 O ATOM 1045 CB GLU A 67 4.772 -7.201 4.390 1.00 3.30 C ATOM 1046 CG GLU A 67 5.765 -8.344 4.517 1.00 32.20 C ATOM 1047 CD GLU A 67 7.190 -7.861 4.706 1.00 32.55 C ATOM 1048 OE1 GLU A 67 7.505 -6.748 4.238 1.00 44.41 O ATOM 1049 OE2 GLU A 67 7.989 -8.597 5.323 1.00 50.15 O ATOM 0 H GLU A 67 2.344 -6.487 2.766 1.00 21.21 H new ATOM 0 HA GLU A 67 3.276 -8.743 4.334 1.00 3.31 H new ATOM 0 HB2 GLU A 67 5.059 -6.574 3.546 1.00 3.30 H new ATOM 0 HB3 GLU A 67 4.830 -6.579 5.284 1.00 3.30 H new ATOM 0 HG2 GLU A 67 5.483 -8.973 5.362 1.00 32.20 H new ATOM 0 HG3 GLU A 67 5.712 -8.967 3.624 1.00 32.20 H new ATOM 1056 N LYS A 68 1.789 -7.821 6.067 1.00 11.40 N ATOM 1057 CA LYS A 68 0.900 -7.317 7.107 1.00 32.54 C ATOM 1058 C LYS A 68 1.401 -7.718 8.492 1.00 53.55 C ATOM 1059 O LYS A 68 0.906 -7.227 9.507 1.00 42.14 O ATOM 1060 CB LYS A 68 -0.520 -7.848 6.894 1.00 2.12 C ATOM 1061 CG LYS A 68 -1.509 -7.379 7.947 1.00 22.24 C ATOM 1062 CD LYS A 68 -1.890 -8.505 8.895 1.00 41.45 C ATOM 1063 CE LYS A 68 -3.323 -8.962 8.668 1.00 23.33 C ATOM 1064 NZ LYS A 68 -4.309 -7.981 9.199 1.00 2.23 N ATOM 0 H LYS A 68 1.871 -8.837 6.039 1.00 11.40 H new ATOM 0 HA LYS A 68 0.888 -6.229 7.044 1.00 32.54 H new ATOM 0 HB2 LYS A 68 -0.872 -7.535 5.911 1.00 2.12 H new ATOM 0 HB3 LYS A 68 -0.495 -8.938 6.891 1.00 2.12 H new ATOM 0 HG2 LYS A 68 -1.075 -6.556 8.514 1.00 22.24 H new ATOM 0 HG3 LYS A 68 -2.405 -6.993 7.460 1.00 22.24 H new ATOM 0 HD2 LYS A 68 -1.212 -9.346 8.754 1.00 41.45 H new ATOM 0 HD3 LYS A 68 -1.772 -8.170 9.926 1.00 41.45 H new ATOM 0 HE2 LYS A 68 -3.493 -9.107 7.601 1.00 23.33 H new ATOM 0 HE3 LYS A 68 -3.477 -9.928 9.149 1.00 23.33 H new ATOM 0 HZ1 LYS A 68 -5.273 -8.329 9.025 1.00 2.23 H new ATOM 0 HZ2 LYS A 68 -4.164 -7.862 10.222 1.00 2.23 H new ATOM 0 HZ3 LYS A 68 -4.180 -7.066 8.722 1.00 2.23 H new ATOM 1078 N ARG A 69 2.385 -8.610 8.524 1.00 2.25 N ATOM 1079 CA ARG A 69 2.953 -9.075 9.784 1.00 11.22 C ATOM 1080 C ARG A 69 3.286 -7.899 10.698 1.00 51.35 C ATOM 1081 O ARG A 69 2.665 -7.718 11.745 1.00 21.42 O ATOM 1082 CB ARG A 69 4.211 -9.905 9.525 1.00 22.52 C ATOM 1083 CG ARG A 69 4.778 -10.559 10.775 1.00 13.43 C ATOM 1084 CD ARG A 69 6.073 -11.298 10.479 1.00 31.51 C ATOM 1085 NE ARG A 69 7.017 -11.215 11.590 1.00 21.21 N ATOM 1086 CZ ARG A 69 6.931 -11.962 12.685 1.00 12.34 C ATOM 1087 NH1 ARG A 69 5.949 -12.843 12.816 1.00 54.34 N ATOM 1088 NH2 ARG A 69 7.829 -11.828 13.653 1.00 34.13 N ATOM 0 H ARG A 69 2.806 -9.025 7.693 1.00 2.25 H new ATOM 0 HA ARG A 69 2.210 -9.699 10.280 1.00 11.22 H new ATOM 0 HB2 ARG A 69 3.981 -10.679 8.793 1.00 22.52 H new ATOM 0 HB3 ARG A 69 4.974 -9.264 9.083 1.00 22.52 H new ATOM 0 HG2 ARG A 69 4.957 -9.799 11.535 1.00 13.43 H new ATOM 0 HG3 ARG A 69 4.047 -11.255 11.186 1.00 13.43 H new ATOM 0 HD2 ARG A 69 5.853 -12.344 10.268 1.00 31.51 H new ATOM 0 HD3 ARG A 69 6.531 -10.881 9.582 1.00 31.51 H new ATOM 0 HE ARG A 69 7.785 -10.547 11.521 1.00 21.21 H new ATOM 0 HH11 ARG A 69 5.257 -12.949 12.075 1.00 54.34 H new ATOM 0 HH12 ARG A 69 5.886 -13.415 13.658 1.00 54.34 H new ATOM 0 HH21 ARG A 69 8.586 -11.151 13.556 1.00 34.13 H new ATOM 0 HH22 ARG A 69 7.762 -12.402 14.494 1.00 34.13 H new ATOM 1102 N ARG A 70 4.270 -7.102 10.293 1.00 72.01 N ATOM 1103 CA ARG A 70 4.686 -5.945 11.075 1.00 5.34 C ATOM 1104 C ARG A 70 5.830 -5.206 10.387 1.00 64.13 C ATOM 1105 O ARG A 70 6.876 -4.962 10.987 1.00 10.12 O ATOM 1106 CB ARG A 70 5.117 -6.379 12.478 1.00 54.41 C ATOM 1107 CG ARG A 70 4.648 -5.439 13.577 1.00 43.43 C ATOM 1108 CD ARG A 70 4.409 -6.182 14.881 1.00 23.25 C ATOM 1109 NE ARG A 70 5.262 -5.686 15.958 1.00 24.42 N ATOM 1110 CZ ARG A 70 5.072 -5.978 17.240 1.00 12.41 C ATOM 1111 NH1 ARG A 70 4.063 -6.758 17.603 1.00 23.12 N ATOM 1112 NH2 ARG A 70 5.891 -5.488 18.162 1.00 62.21 N ATOM 0 H ARG A 70 4.793 -7.237 9.428 1.00 72.01 H new ATOM 0 HA ARG A 70 3.835 -5.268 11.156 1.00 5.34 H new ATOM 0 HB2 ARG A 70 4.728 -7.378 12.676 1.00 54.41 H new ATOM 0 HB3 ARG A 70 6.204 -6.448 12.510 1.00 54.41 H new ATOM 0 HG2 ARG A 70 5.393 -4.659 13.733 1.00 43.43 H new ATOM 0 HG3 ARG A 70 3.728 -4.943 13.266 1.00 43.43 H new ATOM 0 HD2 ARG A 70 3.363 -6.079 15.170 1.00 23.25 H new ATOM 0 HD3 ARG A 70 4.595 -7.246 14.732 1.00 23.25 H new ATOM 0 HE ARG A 70 6.047 -5.082 15.712 1.00 24.42 H new ATOM 0 HH11 ARG A 70 3.431 -7.135 16.897 1.00 23.12 H new ATOM 0 HH12 ARG A 70 3.919 -6.981 18.588 1.00 23.12 H new ATOM 0 HH21 ARG A 70 6.667 -4.886 17.887 1.00 62.21 H new ATOM 0 HH22 ARG A 70 5.744 -5.713 19.146 1.00 62.21 H new ATOM 1126 N GLY A 71 5.624 -4.853 9.121 1.00 34.25 N ATOM 1127 CA GLY A 71 6.646 -4.147 8.372 1.00 60.02 C ATOM 1128 C GLY A 71 7.226 -2.978 9.142 1.00 3.33 C ATOM 1129 O GLY A 71 8.428 -2.933 9.407 1.00 43.14 O ATOM 0 H GLY A 71 4.767 -5.044 8.602 1.00 34.25 H new ATOM 0 HA2 GLY A 71 7.446 -4.840 8.113 1.00 60.02 H new ATOM 0 HA3 GLY A 71 6.221 -3.786 7.435 1.00 60.02 H new ATOM 1133 N THR A 72 6.371 -2.026 9.503 1.00 2.13 N ATOM 1134 CA THR A 72 6.806 -0.849 10.245 1.00 32.33 C ATOM 1135 C THR A 72 5.637 -0.196 10.974 1.00 21.00 C ATOM 1136 O THR A 72 5.683 0.990 11.300 1.00 74.20 O ATOM 1137 CB THR A 72 7.462 0.190 9.317 1.00 63.33 C ATOM 1138 OG1 THR A 72 7.792 -0.415 8.061 1.00 11.40 O ATOM 1139 CG2 THR A 72 8.718 0.767 9.953 1.00 71.05 C ATOM 0 H THR A 72 5.373 -2.047 9.293 1.00 2.13 H new ATOM 0 HA THR A 72 7.541 -1.189 10.974 1.00 32.33 H new ATOM 0 HB THR A 72 6.751 1.000 9.155 1.00 63.33 H new ATOM 0 HG1 THR A 72 8.207 0.252 7.476 1.00 11.40 H new ATOM 0 HG21 THR A 72 9.164 1.498 9.279 1.00 71.05 H new ATOM 0 HG22 THR A 72 8.459 1.251 10.895 1.00 71.05 H new ATOM 0 HG23 THR A 72 9.432 -0.035 10.142 1.00 71.05 H new ATOM 1147 N GLN A 73 4.592 -0.978 11.227 1.00 42.51 N ATOM 1148 CA GLN A 73 3.411 -0.473 11.918 1.00 62.33 C ATOM 1149 C GLN A 73 2.940 0.840 11.302 1.00 75.21 C ATOM 1150 O GLN A 73 3.353 1.205 10.202 1.00 11.24 O ATOM 1151 CB GLN A 73 3.710 -0.275 13.405 1.00 42.33 C ATOM 1152 CG GLN A 73 4.456 -1.439 14.036 1.00 20.11 C ATOM 1153 CD GLN A 73 4.682 -1.250 15.523 1.00 5.41 C ATOM 1154 OE1 GLN A 73 3.860 -0.650 16.216 1.00 4.25 O ATOM 1155 NE2 GLN A 73 5.802 -1.761 16.022 1.00 73.43 N ATOM 0 H GLN A 73 4.539 -1.962 10.964 1.00 42.51 H new ATOM 0 HA GLN A 73 2.615 -1.210 11.810 1.00 62.33 H new ATOM 0 HB2 GLN A 73 4.299 0.634 13.531 1.00 42.33 H new ATOM 0 HB3 GLN A 73 2.772 -0.124 13.939 1.00 42.33 H new ATOM 0 HG2 GLN A 73 3.893 -2.358 13.872 1.00 20.11 H new ATOM 0 HG3 GLN A 73 5.418 -1.561 13.539 1.00 20.11 H new ATOM 0 HE21 GLN A 73 6.456 -2.251 15.411 1.00 73.43 H new ATOM 0 HE22 GLN A 73 6.008 -1.664 17.016 1.00 73.43 H new ATOM 1164 N GLY A 74 2.070 1.546 12.019 1.00 23.30 N ATOM 1165 CA GLY A 74 1.556 2.810 11.527 1.00 43.35 C ATOM 1166 C GLY A 74 2.653 3.829 11.289 1.00 43.02 C ATOM 1167 O GLY A 74 2.445 4.823 10.594 1.00 64.11 O ATOM 0 H GLY A 74 1.712 1.264 12.932 1.00 23.30 H new ATOM 0 HA2 GLY A 74 1.014 2.641 10.597 1.00 43.35 H new ATOM 0 HA3 GLY A 74 0.841 3.212 12.245 1.00 43.35 H new ATOM 1171 N GLU A 75 3.824 3.582 11.869 1.00 52.24 N ATOM 1172 CA GLU A 75 4.956 4.488 11.717 1.00 5.15 C ATOM 1173 C GLU A 75 5.333 4.648 10.247 1.00 22.53 C ATOM 1174 O GLU A 75 5.909 5.660 9.849 1.00 32.25 O ATOM 1175 CB GLU A 75 6.159 3.973 12.511 1.00 63.14 C ATOM 1176 CG GLU A 75 6.503 4.828 13.719 1.00 43.15 C ATOM 1177 CD GLU A 75 7.082 4.017 14.862 1.00 44.15 C ATOM 1178 OE1 GLU A 75 6.345 3.185 15.431 1.00 42.20 O ATOM 1179 OE2 GLU A 75 8.272 4.214 15.187 1.00 53.23 O ATOM 0 H GLU A 75 4.013 2.763 12.447 1.00 52.24 H new ATOM 0 HA GLU A 75 4.663 5.463 12.106 1.00 5.15 H new ATOM 0 HB2 GLU A 75 5.955 2.955 12.843 1.00 63.14 H new ATOM 0 HB3 GLU A 75 7.026 3.926 11.851 1.00 63.14 H new ATOM 0 HG2 GLU A 75 7.218 5.596 13.424 1.00 43.15 H new ATOM 0 HG3 GLU A 75 5.606 5.343 14.062 1.00 43.15 H new ATOM 1186 N ALA A 76 5.004 3.640 9.446 1.00 63.23 N ATOM 1187 CA ALA A 76 5.306 3.668 8.020 1.00 23.10 C ATOM 1188 C ALA A 76 4.592 4.825 7.330 1.00 11.22 C ATOM 1189 O ALA A 76 4.942 5.205 6.213 1.00 53.32 O ATOM 1190 CB ALA A 76 4.921 2.346 7.373 1.00 53.13 C ATOM 0 H ALA A 76 4.528 2.794 9.760 1.00 63.23 H new ATOM 0 HA ALA A 76 6.379 3.817 7.904 1.00 23.10 H new ATOM 0 HB1 ALA A 76 5.152 2.381 6.308 1.00 53.13 H new ATOM 0 HB2 ALA A 76 5.481 1.536 7.839 1.00 53.13 H new ATOM 0 HB3 ALA A 76 3.853 2.173 7.507 1.00 53.13 H new ATOM 1196 N ARG A 77 3.589 5.381 8.003 1.00 63.22 N ATOM 1197 CA ARG A 77 2.825 6.494 7.453 1.00 34.31 C ATOM 1198 C ARG A 77 3.718 7.712 7.234 1.00 35.54 C ATOM 1199 O ARG A 77 3.415 8.576 6.412 1.00 20.41 O ATOM 1200 CB ARG A 77 1.669 6.857 8.387 1.00 33.32 C ATOM 1201 CG ARG A 77 2.106 7.610 9.633 1.00 72.20 C ATOM 1202 CD ARG A 77 0.942 7.833 10.586 1.00 40.41 C ATOM 1203 NE ARG A 77 1.362 7.782 11.984 1.00 75.12 N ATOM 1204 CZ ARG A 77 0.539 7.992 13.006 1.00 65.40 C ATOM 1205 NH1 ARG A 77 -0.739 8.265 12.787 1.00 33.03 N ATOM 1206 NH2 ARG A 77 0.996 7.927 14.250 1.00 2.42 N ATOM 0 H ARG A 77 3.287 5.079 8.929 1.00 63.22 H new ATOM 0 HA ARG A 77 2.421 6.184 6.489 1.00 34.31 H new ATOM 0 HB2 ARG A 77 0.948 7.464 7.840 1.00 33.32 H new ATOM 0 HB3 ARG A 77 1.154 5.944 8.686 1.00 33.32 H new ATOM 0 HG2 ARG A 77 2.891 7.050 10.141 1.00 72.20 H new ATOM 0 HG3 ARG A 77 2.533 8.571 9.347 1.00 72.20 H new ATOM 0 HD2 ARG A 77 0.485 8.801 10.380 1.00 40.41 H new ATOM 0 HD3 ARG A 77 0.178 7.076 10.409 1.00 40.41 H new ATOM 0 HE ARG A 77 2.340 7.574 12.187 1.00 75.12 H new ATOM 0 HH11 ARG A 77 -1.094 8.314 11.832 1.00 33.03 H new ATOM 0 HH12 ARG A 77 -1.368 8.426 13.574 1.00 33.03 H new ATOM 0 HH21 ARG A 77 1.979 7.716 14.422 1.00 2.42 H new ATOM 0 HH22 ARG A 77 0.364 8.088 15.034 1.00 2.42 H new ATOM 1220 N ALA A 78 4.818 7.773 7.977 1.00 62.34 N ATOM 1221 CA ALA A 78 5.756 8.883 7.863 1.00 54.12 C ATOM 1222 C ALA A 78 6.844 8.580 6.839 1.00 24.33 C ATOM 1223 O ALA A 78 6.914 9.214 5.786 1.00 3.03 O ATOM 1224 CB ALA A 78 6.374 9.193 9.218 1.00 20.21 C ATOM 0 H ALA A 78 5.081 7.067 8.664 1.00 62.34 H new ATOM 0 HA ALA A 78 5.205 9.758 7.519 1.00 54.12 H new ATOM 0 HB1 ALA A 78 7.072 10.024 9.118 1.00 20.21 H new ATOM 0 HB2 ALA A 78 5.588 9.463 9.923 1.00 20.21 H new ATOM 0 HB3 ALA A 78 6.905 8.315 9.585 1.00 20.21 H new ATOM 1230 N TYR A 79 7.692 7.607 7.155 1.00 4.33 N ATOM 1231 CA TYR A 79 8.780 7.222 6.264 1.00 3.31 C ATOM 1232 C TYR A 79 8.253 6.894 4.871 1.00 52.03 C ATOM 1233 O TYR A 79 8.860 7.256 3.863 1.00 5.34 O ATOM 1234 CB TYR A 79 9.532 6.018 6.834 1.00 42.23 C ATOM 1235 CG TYR A 79 10.310 5.243 5.794 1.00 31.13 C ATOM 1236 CD1 TYR A 79 11.180 5.889 4.924 1.00 14.13 C ATOM 1237 CD2 TYR A 79 10.174 3.865 5.681 1.00 23.13 C ATOM 1238 CE1 TYR A 79 11.892 5.185 3.973 1.00 52.14 C ATOM 1239 CE2 TYR A 79 10.883 3.153 4.734 1.00 65.34 C ATOM 1240 CZ TYR A 79 11.741 3.817 3.882 1.00 53.25 C ATOM 1241 OH TYR A 79 12.448 3.111 2.935 1.00 12.52 O ATOM 0 H TYR A 79 7.647 7.071 8.021 1.00 4.33 H new ATOM 0 HA TYR A 79 9.466 8.065 6.184 1.00 3.31 H new ATOM 0 HB2 TYR A 79 10.218 6.362 7.608 1.00 42.23 H new ATOM 0 HB3 TYR A 79 8.819 5.349 7.315 1.00 42.23 H new ATOM 0 HD1 TYR A 79 11.301 6.960 4.993 1.00 14.13 H new ATOM 0 HD2 TYR A 79 9.502 3.342 6.345 1.00 23.13 H new ATOM 0 HE1 TYR A 79 12.563 5.703 3.304 1.00 52.14 H new ATOM 0 HE2 TYR A 79 10.766 2.082 4.661 1.00 65.34 H new ATOM 0 HH TYR A 79 12.228 2.159 3.005 1.00 12.52 H new ATOM 1251 N SER A 80 7.117 6.206 4.822 1.00 33.32 N ATOM 1252 CA SER A 80 6.507 5.825 3.553 1.00 23.04 C ATOM 1253 C SER A 80 7.446 4.935 2.745 1.00 24.21 C ATOM 1254 O SER A 80 7.432 3.712 2.884 1.00 43.15 O ATOM 1255 CB SER A 80 6.144 7.071 2.743 1.00 5.14 C ATOM 1256 OG SER A 80 5.033 7.743 3.311 1.00 23.31 O ATOM 0 H SER A 80 6.600 5.901 5.647 1.00 33.32 H new ATOM 0 HA SER A 80 5.598 5.263 3.769 1.00 23.04 H new ATOM 0 HB2 SER A 80 7.000 7.745 2.704 1.00 5.14 H new ATOM 0 HB3 SER A 80 5.915 6.787 1.716 1.00 5.14 H new ATOM 0 HG SER A 80 4.822 8.537 2.776 1.00 23.31 H new ATOM 1262 N MET A 81 8.262 5.558 1.901 1.00 53.23 N ATOM 1263 CA MET A 81 9.209 4.823 1.070 1.00 11.35 C ATOM 1264 C MET A 81 10.544 5.557 0.989 1.00 31.23 C ATOM 1265 O MET A 81 10.761 6.552 1.682 1.00 74.44 O ATOM 1266 CB MET A 81 8.639 4.621 -0.335 1.00 15.24 C ATOM 1267 CG MET A 81 7.339 3.832 -0.355 1.00 44.14 C ATOM 1268 SD MET A 81 6.085 4.587 -1.407 1.00 52.43 S ATOM 1269 CE MET A 81 4.984 5.281 -0.176 1.00 72.05 C ATOM 0 H MET A 81 8.287 6.570 1.774 1.00 53.23 H new ATOM 0 HA MET A 81 9.377 3.849 1.529 1.00 11.35 H new ATOM 0 HB2 MET A 81 8.470 5.595 -0.794 1.00 15.24 H new ATOM 0 HB3 MET A 81 9.378 4.104 -0.947 1.00 15.24 H new ATOM 0 HG2 MET A 81 7.539 2.819 -0.704 1.00 44.14 H new ATOM 0 HG3 MET A 81 6.953 3.749 0.661 1.00 44.14 H new ATOM 0 HE1 MET A 81 3.950 5.105 -0.472 1.00 72.05 H new ATOM 0 HE2 MET A 81 5.171 4.808 0.788 1.00 72.05 H new ATOM 0 HE3 MET A 81 5.160 6.354 -0.094 1.00 72.05 H new ATOM 1279 N LYS A 82 11.436 5.060 0.140 1.00 64.42 N ATOM 1280 CA LYS A 82 12.750 5.668 -0.033 1.00 63.31 C ATOM 1281 C LYS A 82 12.636 7.022 -0.726 1.00 63.44 C ATOM 1282 O LYS A 82 12.250 7.101 -1.892 1.00 33.01 O ATOM 1283 CB LYS A 82 13.660 4.743 -0.844 1.00 64.51 C ATOM 1284 CG LYS A 82 14.416 3.736 0.005 1.00 25.43 C ATOM 1285 CD LYS A 82 15.884 3.668 -0.383 1.00 51.44 C ATOM 1286 CE LYS A 82 16.762 3.331 0.812 1.00 41.02 C ATOM 1287 NZ LYS A 82 16.830 1.863 1.053 1.00 5.10 N ATOM 0 H LYS A 82 11.273 4.237 -0.440 1.00 64.42 H new ATOM 0 HA LYS A 82 13.185 5.821 0.955 1.00 63.31 H new ATOM 0 HB2 LYS A 82 13.058 4.207 -1.578 1.00 64.51 H new ATOM 0 HB3 LYS A 82 14.377 5.348 -1.400 1.00 64.51 H new ATOM 0 HG2 LYS A 82 14.329 4.008 1.057 1.00 25.43 H new ATOM 0 HG3 LYS A 82 13.963 2.751 -0.108 1.00 25.43 H new ATOM 0 HD2 LYS A 82 16.021 2.916 -1.160 1.00 51.44 H new ATOM 0 HD3 LYS A 82 16.194 4.624 -0.806 1.00 51.44 H new ATOM 0 HE2 LYS A 82 17.767 3.719 0.645 1.00 41.02 H new ATOM 0 HE3 LYS A 82 16.372 3.827 1.701 1.00 41.02 H new ATOM 0 HZ1 LYS A 82 17.438 1.674 1.876 1.00 5.10 H new ATOM 0 HZ2 LYS A 82 15.874 1.497 1.237 1.00 5.10 H new ATOM 0 HZ3 LYS A 82 17.226 1.392 0.215 1.00 5.10 H new ATOM 1301 N GLU A 83 12.977 8.083 -0.002 1.00 14.01 N ATOM 1302 CA GLU A 83 12.913 9.433 -0.549 1.00 55.03 C ATOM 1303 C GLU A 83 13.896 9.599 -1.704 1.00 72.05 C ATOM 1304 O GLU A 83 13.624 10.317 -2.667 1.00 11.12 O ATOM 1305 CB GLU A 83 13.211 10.464 0.541 1.00 1.11 C ATOM 1306 CG GLU A 83 12.085 10.629 1.548 1.00 52.25 C ATOM 1307 CD GLU A 83 12.329 9.855 2.828 1.00 12.24 C ATOM 1308 OE1 GLU A 83 13.497 9.776 3.261 1.00 4.11 O ATOM 1309 OE2 GLU A 83 11.350 9.329 3.398 1.00 21.42 O ATOM 0 H GLU A 83 13.300 8.034 0.964 1.00 14.01 H new ATOM 0 HA GLU A 83 11.904 9.597 -0.927 1.00 55.03 H new ATOM 0 HB2 GLU A 83 14.119 10.170 1.069 1.00 1.11 H new ATOM 0 HB3 GLU A 83 13.412 11.427 0.073 1.00 1.11 H new ATOM 0 HG2 GLU A 83 11.966 11.686 1.784 1.00 52.25 H new ATOM 0 HG3 GLU A 83 11.149 10.296 1.099 1.00 52.25 H new ATOM 1316 N ASP A 84 15.039 8.930 -1.601 1.00 10.40 N ATOM 1317 CA ASP A 84 16.063 9.003 -2.636 1.00 64.44 C ATOM 1318 C ASP A 84 15.533 8.471 -3.964 1.00 33.41 C ATOM 1319 O ASP A 84 15.863 8.990 -5.031 1.00 23.34 O ATOM 1320 CB ASP A 84 17.302 8.211 -2.214 1.00 42.21 C ATOM 1321 CG ASP A 84 18.132 8.944 -1.179 1.00 3.13 C ATOM 1322 OD1 ASP A 84 17.555 9.748 -0.417 1.00 23.52 O ATOM 1323 OD2 ASP A 84 19.359 8.715 -1.131 1.00 23.11 O ATOM 0 H ASP A 84 15.280 8.331 -0.811 1.00 10.40 H new ATOM 0 HA ASP A 84 16.337 10.050 -2.768 1.00 64.44 H new ATOM 0 HB2 ASP A 84 16.993 7.246 -1.811 1.00 42.21 H new ATOM 0 HB3 ASP A 84 17.916 8.008 -3.091 1.00 42.21 H new ATOM 1328 N THR A 85 14.708 7.430 -3.892 1.00 11.43 N ATOM 1329 CA THR A 85 14.133 6.826 -5.087 1.00 1.31 C ATOM 1330 C THR A 85 12.730 7.360 -5.353 1.00 2.34 C ATOM 1331 O THR A 85 12.024 6.866 -6.231 1.00 35.51 O ATOM 1332 CB THR A 85 14.072 5.292 -4.967 1.00 33.21 C ATOM 1333 OG1 THR A 85 13.428 4.922 -3.742 1.00 63.44 O ATOM 1334 CG2 THR A 85 15.468 4.689 -5.015 1.00 14.14 C ATOM 0 H THR A 85 14.424 6.988 -3.018 1.00 11.43 H new ATOM 0 HA THR A 85 14.784 7.092 -5.920 1.00 1.31 H new ATOM 0 HB THR A 85 13.498 4.906 -5.810 1.00 33.21 H new ATOM 0 HG1 THR A 85 12.457 4.907 -3.874 1.00 63.44 H new ATOM 0 HG21 THR A 85 15.399 3.605 -4.928 1.00 14.14 H new ATOM 0 HG22 THR A 85 15.944 4.948 -5.961 1.00 14.14 H new ATOM 0 HG23 THR A 85 16.063 5.082 -4.190 1.00 14.14 H new ATOM 1342 N ARG A 86 12.333 8.373 -4.589 1.00 42.11 N ATOM 1343 CA ARG A 86 11.014 8.974 -4.742 1.00 73.14 C ATOM 1344 C ARG A 86 10.866 9.619 -6.117 1.00 64.14 C ATOM 1345 O ARG A 86 11.628 10.517 -6.479 1.00 0.15 O ATOM 1346 CB ARG A 86 10.775 10.017 -3.650 1.00 0.55 C ATOM 1347 CG ARG A 86 9.322 10.126 -3.218 1.00 53.11 C ATOM 1348 CD ARG A 86 9.192 10.167 -1.704 1.00 33.45 C ATOM 1349 NE ARG A 86 9.774 11.380 -1.136 1.00 61.05 N ATOM 1350 CZ ARG A 86 9.174 12.565 -1.163 1.00 63.14 C ATOM 1351 NH1 ARG A 86 7.981 12.695 -1.726 1.00 71.01 N ATOM 1352 NH2 ARG A 86 9.768 13.623 -0.626 1.00 63.11 N ATOM 0 H ARG A 86 12.906 8.794 -3.858 1.00 42.11 H new ATOM 0 HA ARG A 86 10.270 8.183 -4.649 1.00 73.14 H new ATOM 0 HB2 ARG A 86 11.385 9.768 -2.782 1.00 0.55 H new ATOM 0 HB3 ARG A 86 11.112 10.990 -4.008 1.00 0.55 H new ATOM 0 HG2 ARG A 86 8.881 11.026 -3.647 1.00 53.11 H new ATOM 0 HG3 ARG A 86 8.760 9.278 -3.610 1.00 53.11 H new ATOM 0 HD2 ARG A 86 8.139 10.107 -1.429 1.00 33.45 H new ATOM 0 HD3 ARG A 86 9.683 9.294 -1.274 1.00 33.45 H new ATOM 0 HE ARG A 86 10.691 11.314 -0.695 1.00 61.05 H new ATOM 0 HH11 ARG A 86 7.521 11.884 -2.140 1.00 71.01 H new ATOM 0 HH12 ARG A 86 7.523 13.606 -1.745 1.00 71.01 H new ATOM 0 HH21 ARG A 86 10.686 13.527 -0.192 1.00 63.11 H new ATOM 0 HH22 ARG A 86 9.307 14.532 -0.647 1.00 63.11 H new ATOM 1366 N LEU A 87 9.883 9.155 -6.880 1.00 60.24 N ATOM 1367 CA LEU A 87 9.636 9.686 -8.217 1.00 33.45 C ATOM 1368 C LEU A 87 8.379 10.550 -8.235 1.00 72.31 C ATOM 1369 O LEU A 87 8.353 11.610 -8.859 1.00 74.34 O ATOM 1370 CB LEU A 87 9.497 8.542 -9.223 1.00 43.33 C ATOM 1371 CG LEU A 87 10.485 8.553 -10.391 1.00 31.23 C ATOM 1372 CD1 LEU A 87 10.106 7.499 -11.419 1.00 65.35 C ATOM 1373 CD2 LEU A 87 10.538 9.932 -11.032 1.00 30.20 C ATOM 0 H LEU A 87 9.244 8.412 -6.597 1.00 60.24 H new ATOM 0 HA LEU A 87 10.486 10.308 -8.498 1.00 33.45 H new ATOM 0 HB2 LEU A 87 9.608 7.599 -8.688 1.00 43.33 H new ATOM 0 HB3 LEU A 87 8.485 8.562 -9.628 1.00 43.33 H new ATOM 0 HG LEU A 87 11.477 8.316 -10.006 1.00 31.23 H new ATOM 0 HD11 LEU A 87 10.819 7.521 -12.243 1.00 65.35 H new ATOM 0 HD12 LEU A 87 10.121 6.514 -10.953 1.00 65.35 H new ATOM 0 HD13 LEU A 87 9.106 7.705 -11.800 1.00 65.35 H new ATOM 0 HD21 LEU A 87 11.246 9.921 -11.861 1.00 30.20 H new ATOM 0 HD22 LEU A 87 9.549 10.199 -11.403 1.00 30.20 H new ATOM 0 HD23 LEU A 87 10.858 10.665 -10.292 1.00 30.20 H new ATOM 1385 N GLU A 88 7.340 10.089 -7.545 1.00 1.52 N ATOM 1386 CA GLU A 88 6.081 10.822 -7.481 1.00 51.04 C ATOM 1387 C GLU A 88 5.397 10.613 -6.133 1.00 42.21 C ATOM 1388 O GLU A 88 5.856 9.825 -5.307 1.00 45.34 O ATOM 1389 CB GLU A 88 5.150 10.379 -8.612 1.00 32.43 C ATOM 1390 CG GLU A 88 4.665 11.523 -9.485 1.00 52.42 C ATOM 1391 CD GLU A 88 4.173 11.055 -10.841 1.00 42.00 C ATOM 1392 OE1 GLU A 88 4.700 10.040 -11.344 1.00 15.20 O ATOM 1393 OE2 GLU A 88 3.263 11.703 -11.399 1.00 62.30 O ATOM 0 H GLU A 88 7.345 9.213 -7.023 1.00 1.52 H new ATOM 0 HA GLU A 88 6.302 11.883 -7.596 1.00 51.04 H new ATOM 0 HB2 GLU A 88 5.671 9.653 -9.236 1.00 32.43 H new ATOM 0 HB3 GLU A 88 4.287 9.870 -8.182 1.00 32.43 H new ATOM 0 HG2 GLU A 88 3.860 12.050 -8.973 1.00 52.42 H new ATOM 0 HG3 GLU A 88 5.476 12.238 -9.624 1.00 52.42 H new ATOM 1400 N GLY A 89 4.296 11.326 -5.918 1.00 11.43 N ATOM 1401 CA GLY A 89 3.567 11.206 -4.669 1.00 13.22 C ATOM 1402 C GLY A 89 4.085 12.150 -3.602 1.00 32.02 C ATOM 1403 O GLY A 89 4.890 13.042 -3.870 1.00 11.14 O ATOM 0 H GLY A 89 3.896 11.985 -6.586 1.00 11.43 H new ATOM 0 HA2 GLY A 89 2.511 11.409 -4.847 1.00 13.22 H new ATOM 0 HA3 GLY A 89 3.638 10.180 -4.308 1.00 13.22 H new ATOM 1407 N PRO A 90 3.617 11.959 -2.359 1.00 61.33 N ATOM 1408 CA PRO A 90 2.658 10.901 -2.029 1.00 32.43 C ATOM 1409 C PRO A 90 1.275 11.168 -2.613 1.00 42.44 C ATOM 1410 O PRO A 90 1.011 12.252 -3.135 1.00 71.52 O ATOM 1411 CB PRO A 90 2.607 10.933 -0.499 1.00 41.12 C ATOM 1412 CG PRO A 90 2.999 12.324 -0.137 1.00 23.24 C ATOM 1413 CD PRO A 90 3.988 12.761 -1.182 1.00 22.14 C ATOM 0 HA PRO A 90 2.958 9.937 -2.440 1.00 32.43 H new ATOM 0 HB2 PRO A 90 1.609 10.694 -0.131 1.00 41.12 H new ATOM 0 HB3 PRO A 90 3.290 10.203 -0.065 1.00 41.12 H new ATOM 0 HG2 PRO A 90 2.131 12.983 -0.122 1.00 23.24 H new ATOM 0 HG3 PRO A 90 3.442 12.358 0.858 1.00 23.24 H new ATOM 0 HD2 PRO A 90 3.913 13.830 -1.384 1.00 22.14 H new ATOM 0 HD3 PRO A 90 5.014 12.566 -0.870 1.00 22.14 H new ATOM 1421 N TRP A 91 0.397 10.176 -2.522 1.00 44.01 N ATOM 1422 CA TRP A 91 -0.959 10.306 -3.042 1.00 71.53 C ATOM 1423 C TRP A 91 -1.968 9.660 -2.099 1.00 22.31 C ATOM 1424 O TRP A 91 -1.756 8.547 -1.618 1.00 72.00 O ATOM 1425 CB TRP A 91 -1.059 9.668 -4.429 1.00 45.12 C ATOM 1426 CG TRP A 91 -0.405 10.482 -5.505 1.00 73.21 C ATOM 1427 CD1 TRP A 91 -0.405 11.843 -5.617 1.00 63.10 C ATOM 1428 CD2 TRP A 91 0.341 9.985 -6.621 1.00 51.14 C ATOM 1429 NE1 TRP A 91 0.297 12.222 -6.736 1.00 0.21 N ATOM 1430 CE2 TRP A 91 0.765 11.101 -7.369 1.00 2.33 C ATOM 1431 CE3 TRP A 91 0.694 8.707 -7.061 1.00 73.54 C ATOM 1432 CZ2 TRP A 91 1.522 10.975 -8.530 1.00 63.23 C ATOM 1433 CZ3 TRP A 91 1.445 8.583 -8.215 1.00 32.33 C ATOM 1434 CH2 TRP A 91 1.853 9.711 -8.938 1.00 43.11 C ATOM 0 H TRP A 91 0.600 9.273 -2.093 1.00 44.01 H new ATOM 0 HA TRP A 91 -1.191 11.368 -3.120 1.00 71.53 H new ATOM 0 HB2 TRP A 91 -0.600 8.680 -4.401 1.00 45.12 H new ATOM 0 HB3 TRP A 91 -2.110 9.524 -4.680 1.00 45.12 H new ATOM 0 HD1 TRP A 91 -0.886 12.521 -4.928 1.00 63.10 H new ATOM 0 HE1 TRP A 91 0.446 13.183 -7.045 1.00 0.21 H new ATOM 0 HE3 TRP A 91 0.386 7.831 -6.509 1.00 73.54 H new ATOM 0 HZ2 TRP A 91 1.837 11.844 -9.089 1.00 63.23 H new ATOM 0 HZ3 TRP A 91 1.722 7.600 -8.565 1.00 32.33 H new ATOM 0 HH2 TRP A 91 2.440 9.581 -9.835 1.00 43.11 H new ATOM 1445 N GLU A 92 -3.064 10.365 -1.839 1.00 34.21 N ATOM 1446 CA GLU A 92 -4.105 9.858 -0.952 1.00 10.21 C ATOM 1447 C GLU A 92 -5.430 9.714 -1.695 1.00 32.43 C ATOM 1448 O GLU A 92 -5.816 10.585 -2.474 1.00 1.41 O ATOM 1449 CB GLU A 92 -4.280 10.790 0.249 1.00 31.34 C ATOM 1450 CG GLU A 92 -3.360 10.461 1.413 1.00 12.43 C ATOM 1451 CD GLU A 92 -1.900 10.717 1.093 1.00 72.41 C ATOM 1452 OE1 GLU A 92 -1.551 11.879 0.799 1.00 71.33 O ATOM 1453 OE2 GLU A 92 -1.107 9.753 1.137 1.00 43.11 O ATOM 0 H GLU A 92 -3.254 11.288 -2.229 1.00 34.21 H new ATOM 0 HA GLU A 92 -3.798 8.874 -0.598 1.00 10.21 H new ATOM 0 HB2 GLU A 92 -4.098 11.817 -0.069 1.00 31.34 H new ATOM 0 HB3 GLU A 92 -5.314 10.741 0.589 1.00 31.34 H new ATOM 0 HG2 GLU A 92 -3.648 11.057 2.279 1.00 12.43 H new ATOM 0 HG3 GLU A 92 -3.490 9.415 1.689 1.00 12.43 H new ATOM 1460 N TYR A 93 -6.122 8.607 -1.448 1.00 20.11 N ATOM 1461 CA TYR A 93 -7.402 8.346 -2.095 1.00 33.41 C ATOM 1462 C TYR A 93 -8.377 7.683 -1.126 1.00 60.12 C ATOM 1463 O TYR A 93 -7.976 7.142 -0.097 1.00 2.35 O ATOM 1464 CB TYR A 93 -7.204 7.457 -3.324 1.00 53.12 C ATOM 1465 CG TYR A 93 -6.464 8.140 -4.452 1.00 23.22 C ATOM 1466 CD1 TYR A 93 -7.131 8.967 -5.347 1.00 32.01 C ATOM 1467 CD2 TYR A 93 -5.097 7.957 -4.623 1.00 12.10 C ATOM 1468 CE1 TYR A 93 -6.459 9.592 -6.379 1.00 40.31 C ATOM 1469 CE2 TYR A 93 -4.417 8.580 -5.651 1.00 64.54 C ATOM 1470 CZ TYR A 93 -5.102 9.396 -6.527 1.00 22.11 C ATOM 1471 OH TYR A 93 -4.428 10.017 -7.553 1.00 63.45 O ATOM 0 H TYR A 93 -5.818 7.876 -0.805 1.00 20.11 H new ATOM 0 HA TYR A 93 -7.823 9.301 -2.409 1.00 33.41 H new ATOM 0 HB2 TYR A 93 -6.656 6.562 -3.030 1.00 53.12 H new ATOM 0 HB3 TYR A 93 -8.179 7.129 -3.686 1.00 53.12 H new ATOM 0 HD1 TYR A 93 -8.194 9.124 -5.234 1.00 32.01 H new ATOM 0 HD2 TYR A 93 -4.557 7.317 -3.941 1.00 12.10 H new ATOM 0 HE1 TYR A 93 -6.993 10.231 -7.067 1.00 40.31 H new ATOM 0 HE2 TYR A 93 -3.354 8.429 -5.768 1.00 64.54 H new ATOM 0 HH TYR A 93 -3.479 9.775 -7.515 1.00 63.45 H new ATOM 1481 N GLY A 94 -9.662 7.729 -1.465 1.00 42.15 N ATOM 1482 CA GLY A 94 -10.675 7.130 -0.617 1.00 31.31 C ATOM 1483 C GLY A 94 -11.234 8.107 0.398 1.00 52.44 C ATOM 1484 O GLY A 94 -11.275 9.312 0.150 1.00 3.14 O ATOM 0 H GLY A 94 -10.019 8.171 -2.312 1.00 42.15 H new ATOM 0 HA2 GLY A 94 -11.487 6.752 -1.238 1.00 31.31 H new ATOM 0 HA3 GLY A 94 -10.248 6.274 -0.095 1.00 31.31 H new ATOM 1488 N GLU A 95 -11.668 7.587 1.542 1.00 43.52 N ATOM 1489 CA GLU A 95 -12.230 8.424 2.596 1.00 64.13 C ATOM 1490 C GLU A 95 -11.289 9.577 2.935 1.00 71.21 C ATOM 1491 O GLU A 95 -11.488 10.705 2.486 1.00 43.03 O ATOM 1492 CB GLU A 95 -12.503 7.589 3.849 1.00 53.25 C ATOM 1493 CG GLU A 95 -12.881 8.420 5.063 1.00 5.33 C ATOM 1494 CD GLU A 95 -14.121 9.261 4.833 1.00 72.04 C ATOM 1495 OE1 GLU A 95 -15.203 8.676 4.615 1.00 1.24 O ATOM 1496 OE2 GLU A 95 -14.010 10.504 4.870 1.00 42.45 O ATOM 0 H GLU A 95 -11.641 6.591 1.762 1.00 43.52 H new ATOM 0 HA GLU A 95 -13.170 8.840 2.233 1.00 64.13 H new ATOM 0 HB2 GLU A 95 -13.307 6.884 3.637 1.00 53.25 H new ATOM 0 HB3 GLU A 95 -11.616 7.001 4.084 1.00 53.25 H new ATOM 0 HG2 GLU A 95 -13.048 7.759 5.913 1.00 5.33 H new ATOM 0 HG3 GLU A 95 -12.048 9.072 5.325 1.00 5.33 H new TER 1503 GLU A 95