USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 738 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= -6.68! C(o=-18!,f=-23!) USER MOD Set 1.2: A 25 MET CE :methyl -151:sc= -3.91! (180deg=-5.92!) USER MOD Set 1.3: A 48 MET CE :methyl -107:sc= -3.42 (180deg=-1.18) USER MOD Set 1.4: A 57 MET CE :methyl -112:sc= -4.3! (180deg=-6.48!) USER MOD Set 2.1: A 9 CYS SG : rot -13:sc= 0.391 USER MOD Set 2.2: A 72 THR OG1 : rot 180:sc= -0.0635 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 CYS SG : rot 180:sc= 0.0164 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 ASN : amide:sc= -0.014 K(o=-0.014,f=-1.6) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot -40:sc= -1.3 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -2.15 K(o=-2.2,f=-3.3!) USER MOD Single : A 32 THR OG1 : rot 180:sc= -1.68 USER MOD Single : A 34 GLN : amide:sc= -0.0537 K(o=-0.054,f=-0.64) USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 HIS :FLIP no HE2:sc= -5.04! F(o=-6.1,f=-5!) USER MOD Single : A 43 GLN : amide:sc= -4.5! C(o=-4.5!,f=-4.1!) USER MOD Single : A 45 TYR OH : rot 180:sc= -0.0261 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= -0.0823 USER MOD Single : A 53 SER OG : rot 180:sc= 0.0848 USER MOD Single : A 58 LYS NZ :NH3+ 168:sc= -0.0277 (180deg=-0.248) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 155:sc= -0.0874 (180deg=-0.412) USER MOD Single : A 73 GLN : amide:sc= -0.0706 K(o=-0.071,f=-1.3!) USER MOD Single : A 79 TYR OH : rot 180:sc= -0.218 USER MOD Single : A 80 SER OG : rot -6:sc= 0.122 USER MOD Single : A 81 MET CE :methyl -139:sc= -2.87 (180deg=-7.76!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.0209 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 11 N ARG A 3 -10.723 -1.032 18.538 1.00 60.52 N ATOM 12 CA ARG A 3 -9.363 -1.416 18.178 1.00 10.25 C ATOM 13 C ARG A 3 -8.999 -0.893 16.792 1.00 10.51 C ATOM 14 O ARG A 3 -9.875 -0.629 15.969 1.00 41.12 O ATOM 15 CB ARG A 3 -9.212 -2.938 18.217 1.00 55.34 C ATOM 16 CG ARG A 3 -8.610 -3.458 19.511 1.00 4.13 C ATOM 17 CD ARG A 3 -8.559 -4.978 19.531 1.00 4.40 C ATOM 18 NE ARG A 3 -7.189 -5.478 19.604 1.00 23.41 N ATOM 19 CZ ARG A 3 -6.883 -6.754 19.814 1.00 43.13 C ATOM 20 NH1 ARG A 3 -7.845 -7.653 19.970 1.00 43.23 N ATOM 21 NH2 ARG A 3 -5.612 -7.133 19.867 1.00 11.51 N ATOM 0 HA ARG A 3 -8.683 -0.972 18.905 1.00 10.25 H new ATOM 0 HB2 ARG A 3 -10.191 -3.395 18.072 1.00 55.34 H new ATOM 0 HB3 ARG A 3 -8.586 -3.254 17.382 1.00 55.34 H new ATOM 0 HG2 ARG A 3 -7.603 -3.058 19.632 1.00 4.13 H new ATOM 0 HG3 ARG A 3 -9.199 -3.102 20.356 1.00 4.13 H new ATOM 0 HD2 ARG A 3 -9.126 -5.349 20.385 1.00 4.40 H new ATOM 0 HD3 ARG A 3 -9.040 -5.369 18.635 1.00 4.40 H new ATOM 0 HE ARG A 3 -6.426 -4.812 19.487 1.00 23.41 H new ATOM 0 HH11 ARG A 3 -8.823 -7.366 19.929 1.00 43.23 H new ATOM 0 HH12 ARG A 3 -7.607 -8.632 20.131 1.00 43.23 H new ATOM 0 HH21 ARG A 3 -4.869 -6.445 19.747 1.00 11.51 H new ATOM 0 HH22 ARG A 3 -5.378 -8.113 20.028 1.00 11.51 H new ATOM 35 N GLN A 4 -7.702 -0.745 16.543 1.00 41.32 N ATOM 36 CA GLN A 4 -7.223 -0.252 15.257 1.00 50.12 C ATOM 37 C GLN A 4 -6.575 -1.373 14.451 1.00 21.02 C ATOM 38 O GLN A 4 -6.113 -2.367 15.012 1.00 73.35 O ATOM 39 CB GLN A 4 -6.223 0.887 15.464 1.00 53.35 C ATOM 40 CG GLN A 4 -4.914 0.441 16.095 1.00 54.02 C ATOM 41 CD GLN A 4 -4.058 1.607 16.548 1.00 63.31 C ATOM 42 OE1 GLN A 4 -3.074 1.959 15.897 1.00 62.03 O ATOM 43 NE2 GLN A 4 -4.428 2.213 17.670 1.00 61.11 N ATOM 0 H GLN A 4 -6.964 -0.959 17.214 1.00 41.32 H new ATOM 0 HA GLN A 4 -8.080 0.124 14.698 1.00 50.12 H new ATOM 0 HB2 GLN A 4 -6.012 1.354 14.502 1.00 53.35 H new ATOM 0 HB3 GLN A 4 -6.679 1.650 16.095 1.00 53.35 H new ATOM 0 HG2 GLN A 4 -5.127 -0.202 16.949 1.00 54.02 H new ATOM 0 HG3 GLN A 4 -4.354 -0.158 15.377 1.00 54.02 H new ATOM 0 HE21 GLN A 4 -5.251 1.888 18.178 1.00 61.11 H new ATOM 0 HE22 GLN A 4 -3.890 3.004 18.024 1.00 61.11 H new ATOM 52 N VAL A 5 -6.544 -1.206 13.133 1.00 60.32 N ATOM 53 CA VAL A 5 -5.952 -2.204 12.250 1.00 42.13 C ATOM 54 C VAL A 5 -4.586 -1.750 11.746 1.00 74.34 C ATOM 55 O VAL A 5 -4.283 -0.557 11.734 1.00 51.02 O ATOM 56 CB VAL A 5 -6.862 -2.495 11.042 1.00 70.22 C ATOM 57 CG1 VAL A 5 -8.228 -2.978 11.506 1.00 3.11 C ATOM 58 CG2 VAL A 5 -6.994 -1.259 10.165 1.00 71.45 C ATOM 0 H VAL A 5 -6.922 -0.389 12.653 1.00 60.32 H new ATOM 0 HA VAL A 5 -5.836 -3.116 12.836 1.00 42.13 H new ATOM 0 HB VAL A 5 -6.406 -3.287 10.448 1.00 70.22 H new ATOM 0 HG11 VAL A 5 -8.857 -3.178 10.639 1.00 3.11 H new ATOM 0 HG12 VAL A 5 -8.112 -3.892 12.089 1.00 3.11 H new ATOM 0 HG13 VAL A 5 -8.695 -2.210 12.123 1.00 3.11 H new ATOM 0 HG21 VAL A 5 -7.640 -1.482 9.316 1.00 71.45 H new ATOM 0 HG22 VAL A 5 -7.427 -0.445 10.746 1.00 71.45 H new ATOM 0 HG23 VAL A 5 -6.009 -0.963 9.803 1.00 71.45 H new ATOM 68 N ILE A 6 -3.767 -2.710 11.330 1.00 41.14 N ATOM 69 CA ILE A 6 -2.434 -2.409 10.822 1.00 1.35 C ATOM 70 C ILE A 6 -2.469 -2.113 9.327 1.00 43.40 C ATOM 71 O ILE A 6 -3.309 -2.641 8.599 1.00 74.15 O ATOM 72 CB ILE A 6 -1.457 -3.571 11.082 1.00 51.23 C ATOM 73 CG1 ILE A 6 -1.472 -3.957 12.562 1.00 24.40 C ATOM 74 CG2 ILE A 6 -0.051 -3.189 10.642 1.00 35.21 C ATOM 75 CD1 ILE A 6 -2.400 -5.109 12.877 1.00 73.24 C ATOM 0 H ILE A 6 -4.003 -3.702 11.335 1.00 41.14 H new ATOM 0 HA ILE A 6 -2.085 -1.525 11.356 1.00 1.35 H new ATOM 0 HB ILE A 6 -1.777 -4.434 10.498 1.00 51.23 H new ATOM 0 HG12 ILE A 6 -0.460 -4.221 12.870 1.00 24.40 H new ATOM 0 HG13 ILE A 6 -1.769 -3.090 13.152 1.00 24.40 H new ATOM 0 HG21 ILE A 6 0.628 -4.020 10.832 1.00 35.21 H new ATOM 0 HG22 ILE A 6 -0.053 -2.958 9.577 1.00 35.21 H new ATOM 0 HG23 ILE A 6 0.280 -2.314 11.202 1.00 35.21 H new ATOM 0 HD11 ILE A 6 -2.359 -5.328 13.944 1.00 73.24 H new ATOM 0 HD12 ILE A 6 -3.420 -4.841 12.600 1.00 73.24 H new ATOM 0 HD13 ILE A 6 -2.091 -5.990 12.314 1.00 73.24 H new ATOM 87 N CYS A 7 -1.550 -1.266 8.876 1.00 64.32 N ATOM 88 CA CYS A 7 -1.474 -0.900 7.466 1.00 61.32 C ATOM 89 C CYS A 7 -0.820 -2.011 6.650 1.00 13.01 C ATOM 90 O CYS A 7 -0.080 -2.835 7.187 1.00 72.32 O ATOM 91 CB CYS A 7 -0.690 0.402 7.297 1.00 22.10 C ATOM 92 SG CYS A 7 -1.061 1.654 8.547 1.00 11.50 S ATOM 0 H CYS A 7 -0.848 -0.820 9.466 1.00 64.32 H new ATOM 0 HA CYS A 7 -2.490 -0.754 7.099 1.00 61.32 H new ATOM 0 HB2 CYS A 7 0.376 0.178 7.328 1.00 22.10 H new ATOM 0 HB3 CYS A 7 -0.901 0.815 6.311 1.00 22.10 H new ATOM 0 HG CYS A 7 -0.348 2.717 8.321 1.00 11.50 H new ATOM 98 N TRP A 8 -1.100 -2.027 5.352 1.00 33.10 N ATOM 99 CA TRP A 8 -0.541 -3.038 4.462 1.00 22.32 C ATOM 100 C TRP A 8 0.536 -2.438 3.565 1.00 73.13 C ATOM 101 O TRP A 8 0.245 -1.610 2.701 1.00 44.15 O ATOM 102 CB TRP A 8 -1.645 -3.662 3.608 1.00 71.55 C ATOM 103 CG TRP A 8 -2.622 -4.477 4.401 1.00 43.40 C ATOM 104 CD1 TRP A 8 -3.565 -4.007 5.270 1.00 61.11 C ATOM 105 CD2 TRP A 8 -2.749 -5.903 4.399 1.00 13.34 C ATOM 106 NE1 TRP A 8 -4.271 -5.055 5.809 1.00 72.43 N ATOM 107 CE2 TRP A 8 -3.791 -6.229 5.290 1.00 3.32 C ATOM 108 CE3 TRP A 8 -2.087 -6.936 3.731 1.00 42.41 C ATOM 109 CZ2 TRP A 8 -4.182 -7.544 5.528 1.00 3.44 C ATOM 110 CZ3 TRP A 8 -2.476 -8.240 3.969 1.00 61.13 C ATOM 111 CH2 TRP A 8 -3.516 -8.535 4.860 1.00 3.04 C ATOM 0 H TRP A 8 -1.711 -1.352 4.892 1.00 33.10 H new ATOM 0 HA TRP A 8 -0.085 -3.814 5.076 1.00 22.32 H new ATOM 0 HB2 TRP A 8 -2.183 -2.870 3.087 1.00 71.55 H new ATOM 0 HB3 TRP A 8 -1.191 -4.294 2.845 1.00 71.55 H new ATOM 0 HD1 TRP A 8 -3.731 -2.965 5.500 1.00 61.11 H new ATOM 0 HE1 TRP A 8 -5.030 -4.973 6.486 1.00 72.43 H new ATOM 0 HE3 TRP A 8 -1.285 -6.719 3.041 1.00 42.41 H new ATOM 0 HZ2 TRP A 8 -4.983 -7.774 6.216 1.00 3.44 H new ATOM 0 HZ3 TRP A 8 -1.969 -9.046 3.459 1.00 61.13 H new ATOM 0 HH2 TRP A 8 -3.798 -9.565 5.023 1.00 3.04 H new ATOM 122 N CYS A 9 1.778 -2.860 3.774 1.00 34.24 N ATOM 123 CA CYS A 9 2.898 -2.363 2.984 1.00 50.13 C ATOM 124 C CYS A 9 3.300 -3.374 1.915 1.00 24.00 C ATOM 125 O CYS A 9 3.720 -4.489 2.227 1.00 54.13 O ATOM 126 CB CYS A 9 4.092 -2.057 3.889 1.00 40.00 C ATOM 127 SG CYS A 9 4.608 -3.446 4.925 1.00 32.02 S ATOM 0 H CYS A 9 2.035 -3.546 4.484 1.00 34.24 H new ATOM 0 HA CYS A 9 2.582 -1.444 2.489 1.00 50.13 H new ATOM 0 HB2 CYS A 9 4.934 -1.747 3.270 1.00 40.00 H new ATOM 0 HB3 CYS A 9 3.841 -1.213 4.531 1.00 40.00 H new ATOM 0 HG CYS A 9 3.689 -4.365 4.908 1.00 32.02 H new ATOM 133 N PHE A 10 3.168 -2.978 0.653 1.00 5.25 N ATOM 134 CA PHE A 10 3.516 -3.850 -0.462 1.00 73.32 C ATOM 135 C PHE A 10 4.349 -3.102 -1.499 1.00 22.44 C ATOM 136 O PHE A 10 4.412 -1.872 -1.492 1.00 61.54 O ATOM 137 CB PHE A 10 2.249 -4.407 -1.115 1.00 51.03 C ATOM 138 CG PHE A 10 1.645 -3.484 -2.135 1.00 62.43 C ATOM 139 CD1 PHE A 10 1.134 -2.253 -1.758 1.00 72.03 C ATOM 140 CD2 PHE A 10 1.590 -3.848 -3.471 1.00 72.10 C ATOM 141 CE1 PHE A 10 0.577 -1.403 -2.695 1.00 1.32 C ATOM 142 CE2 PHE A 10 1.035 -3.002 -4.412 1.00 54.42 C ATOM 143 CZ PHE A 10 0.529 -1.777 -4.024 1.00 14.25 C ATOM 0 H PHE A 10 2.822 -2.059 0.377 1.00 5.25 H new ATOM 0 HA PHE A 10 4.110 -4.677 -0.073 1.00 73.32 H new ATOM 0 HB2 PHE A 10 2.484 -5.359 -1.592 1.00 51.03 H new ATOM 0 HB3 PHE A 10 1.511 -4.612 -0.340 1.00 51.03 H new ATOM 0 HD1 PHE A 10 1.171 -1.954 -0.721 1.00 72.03 H new ATOM 0 HD2 PHE A 10 1.986 -4.804 -3.780 1.00 72.10 H new ATOM 0 HE1 PHE A 10 0.179 -0.447 -2.388 1.00 1.32 H new ATOM 0 HE2 PHE A 10 0.997 -3.298 -5.450 1.00 54.42 H new ATOM 0 HZ PHE A 10 0.097 -1.113 -4.758 1.00 14.25 H new ATOM 153 N THR A 11 4.989 -3.854 -2.389 1.00 23.21 N ATOM 154 CA THR A 11 5.821 -3.264 -3.431 1.00 34.34 C ATOM 155 C THR A 11 5.478 -3.841 -4.800 1.00 2.14 C ATOM 156 O THR A 11 5.562 -5.051 -5.014 1.00 3.02 O ATOM 157 CB THR A 11 7.318 -3.492 -3.150 1.00 40.23 C ATOM 158 OG1 THR A 11 7.590 -3.302 -1.757 1.00 60.33 O ATOM 159 CG2 THR A 11 8.173 -2.540 -3.973 1.00 62.23 C ATOM 0 H THR A 11 4.947 -4.873 -2.409 1.00 23.21 H new ATOM 0 HA THR A 11 5.618 -2.193 -3.430 1.00 34.34 H new ATOM 0 HB THR A 11 7.566 -4.515 -3.432 1.00 40.23 H new ATOM 0 HG1 THR A 11 8.544 -3.451 -1.587 1.00 60.33 H new ATOM 0 HG21 THR A 11 9.227 -2.719 -3.758 1.00 62.23 H new ATOM 0 HG22 THR A 11 7.985 -2.707 -5.034 1.00 62.23 H new ATOM 0 HG23 THR A 11 7.921 -1.511 -3.717 1.00 62.23 H new ATOM 167 N LEU A 12 5.092 -2.968 -5.724 1.00 64.40 N ATOM 168 CA LEU A 12 4.738 -3.391 -7.075 1.00 31.15 C ATOM 169 C LEU A 12 5.807 -2.966 -8.076 1.00 55.34 C ATOM 170 O LEU A 12 6.074 -1.777 -8.247 1.00 35.03 O ATOM 171 CB LEU A 12 3.384 -2.803 -7.475 1.00 51.13 C ATOM 172 CG LEU A 12 2.886 -3.158 -8.877 1.00 31.54 C ATOM 173 CD1 LEU A 12 3.073 -4.643 -9.149 1.00 0.02 C ATOM 174 CD2 LEU A 12 1.425 -2.765 -9.039 1.00 41.54 C ATOM 0 H LEU A 12 5.016 -1.964 -5.563 1.00 64.40 H new ATOM 0 HA LEU A 12 4.671 -4.479 -7.084 1.00 31.15 H new ATOM 0 HB2 LEU A 12 2.639 -3.134 -6.752 1.00 51.13 H new ATOM 0 HB3 LEU A 12 3.444 -1.717 -7.397 1.00 51.13 H new ATOM 0 HG LEU A 12 3.475 -2.599 -9.604 1.00 31.54 H new ATOM 0 HD11 LEU A 12 2.713 -4.878 -10.151 1.00 0.02 H new ATOM 0 HD12 LEU A 12 4.131 -4.896 -9.075 1.00 0.02 H new ATOM 0 HD13 LEU A 12 2.509 -5.221 -8.417 1.00 0.02 H new ATOM 0 HD21 LEU A 12 1.087 -3.025 -10.042 1.00 41.54 H new ATOM 0 HD22 LEU A 12 0.821 -3.297 -8.304 1.00 41.54 H new ATOM 0 HD23 LEU A 12 1.318 -1.691 -8.887 1.00 41.54 H new ATOM 186 N ASN A 13 6.413 -3.946 -8.738 1.00 42.44 N ATOM 187 CA ASN A 13 7.452 -3.673 -9.725 1.00 53.43 C ATOM 188 C ASN A 13 6.904 -3.808 -11.143 1.00 2.12 C ATOM 189 O ASN A 13 6.223 -4.780 -11.466 1.00 21.13 O ATOM 190 CB ASN A 13 8.633 -4.625 -9.530 1.00 2.02 C ATOM 191 CG ASN A 13 9.210 -4.551 -8.129 1.00 42.43 C ATOM 192 OD1 ASN A 13 10.007 -3.664 -7.821 1.00 30.45 O ATOM 193 ND2 ASN A 13 8.809 -5.484 -7.274 1.00 63.11 N ATOM 0 H ASN A 13 6.203 -4.936 -8.609 1.00 42.44 H new ATOM 0 HA ASN A 13 7.793 -2.648 -9.582 1.00 53.43 H new ATOM 0 HB2 ASN A 13 8.311 -5.646 -9.734 1.00 2.02 H new ATOM 0 HB3 ASN A 13 9.412 -4.386 -10.254 1.00 2.02 H new ATOM 0 HD21 ASN A 13 9.163 -5.485 -6.317 1.00 63.11 H new ATOM 0 HD22 ASN A 13 8.147 -6.200 -7.574 1.00 63.11 H new ATOM 200 N ASN A 14 7.208 -2.825 -11.985 1.00 32.41 N ATOM 201 CA ASN A 14 6.746 -2.835 -13.368 1.00 42.43 C ATOM 202 C ASN A 14 5.242 -3.079 -13.438 1.00 51.13 C ATOM 203 O ASN A 14 4.776 -4.095 -13.955 1.00 42.33 O ATOM 204 CB ASN A 14 7.486 -3.909 -14.168 1.00 5.23 C ATOM 205 CG ASN A 14 7.359 -3.706 -15.665 1.00 41.21 C ATOM 206 OD1 ASN A 14 6.653 -2.807 -16.123 1.00 72.51 O ATOM 207 ND2 ASN A 14 8.044 -4.542 -16.436 1.00 23.41 N ATOM 0 H ASN A 14 7.771 -2.013 -11.734 1.00 32.41 H new ATOM 0 HA ASN A 14 6.958 -1.858 -13.802 1.00 42.43 H new ATOM 0 HB2 ASN A 14 8.540 -3.902 -13.891 1.00 5.23 H new ATOM 0 HB3 ASN A 14 7.093 -4.891 -13.903 1.00 5.23 H new ATOM 0 HD21 ASN A 14 7.998 -4.454 -17.451 1.00 23.41 H new ATOM 0 HD22 ASN A 14 8.617 -5.273 -16.013 1.00 23.41 H new ATOM 214 N PRO A 15 4.462 -2.126 -12.906 1.00 43.13 N ATOM 215 CA PRO A 15 2.999 -2.214 -12.897 1.00 0.00 C ATOM 216 C PRO A 15 2.400 -2.063 -14.291 1.00 43.12 C ATOM 217 O PRO A 15 3.111 -1.775 -15.255 1.00 72.44 O ATOM 218 CB PRO A 15 2.579 -1.043 -12.005 1.00 31.21 C ATOM 219 CG PRO A 15 3.700 -0.068 -12.107 1.00 3.21 C ATOM 220 CD PRO A 15 4.949 -0.889 -12.274 1.00 2.45 C ATOM 0 HA PRO A 15 2.651 -3.184 -12.542 1.00 0.00 H new ATOM 0 HB2 PRO A 15 1.641 -0.604 -12.344 1.00 31.21 H new ATOM 0 HB3 PRO A 15 2.427 -1.365 -10.975 1.00 31.21 H new ATOM 0 HG2 PRO A 15 3.558 0.603 -12.954 1.00 3.21 H new ATOM 0 HG3 PRO A 15 3.758 0.554 -11.214 1.00 3.21 H new ATOM 0 HD2 PRO A 15 5.683 -0.381 -12.899 1.00 2.45 H new ATOM 0 HD3 PRO A 15 5.429 -1.089 -11.316 1.00 2.45 H new ATOM 228 N LEU A 16 1.090 -2.258 -14.392 1.00 1.15 N ATOM 229 CA LEU A 16 0.395 -2.143 -15.669 1.00 0.31 C ATOM 230 C LEU A 16 -0.648 -1.031 -15.623 1.00 41.40 C ATOM 231 O LEU A 16 -1.281 -0.718 -16.631 1.00 41.43 O ATOM 232 CB LEU A 16 -0.274 -3.470 -16.030 1.00 21.25 C ATOM 233 CG LEU A 16 0.666 -4.611 -16.421 1.00 41.11 C ATOM 234 CD1 LEU A 16 0.007 -5.957 -16.165 1.00 22.43 C ATOM 235 CD2 LEU A 16 1.077 -4.486 -17.881 1.00 4.32 C ATOM 0 H LEU A 16 0.487 -2.497 -13.604 1.00 1.15 H new ATOM 0 HA LEU A 16 1.131 -1.895 -16.434 1.00 0.31 H new ATOM 0 HB2 LEU A 16 -0.873 -3.795 -15.180 1.00 21.25 H new ATOM 0 HB3 LEU A 16 -0.963 -3.294 -16.856 1.00 21.25 H new ATOM 0 HG LEU A 16 1.562 -4.545 -15.804 1.00 41.11 H new ATOM 0 HD11 LEU A 16 0.691 -6.757 -16.449 1.00 22.43 H new ATOM 0 HD12 LEU A 16 -0.237 -6.047 -15.106 1.00 22.43 H new ATOM 0 HD13 LEU A 16 -0.906 -6.033 -16.756 1.00 22.43 H new ATOM 0 HD21 LEU A 16 1.746 -5.306 -18.142 1.00 4.32 H new ATOM 0 HD22 LEU A 16 0.190 -4.526 -18.513 1.00 4.32 H new ATOM 0 HD23 LEU A 16 1.590 -3.537 -18.035 1.00 4.32 H new ATOM 247 N SER A 17 -0.820 -0.436 -14.447 1.00 1.22 N ATOM 248 CA SER A 17 -1.787 0.641 -14.269 1.00 31.11 C ATOM 249 C SER A 17 -1.778 1.147 -12.830 1.00 20.04 C ATOM 250 O SER A 17 -1.314 0.472 -11.910 1.00 53.12 O ATOM 251 CB SER A 17 -3.191 0.161 -14.644 1.00 3.21 C ATOM 252 OG SER A 17 -3.972 -0.084 -13.487 1.00 41.32 O ATOM 0 H SER A 17 -0.302 -0.682 -13.603 1.00 1.22 H new ATOM 0 HA SER A 17 -1.504 1.463 -14.926 1.00 31.11 H new ATOM 0 HB2 SER A 17 -3.681 0.910 -15.265 1.00 3.21 H new ATOM 0 HB3 SER A 17 -3.121 -0.750 -15.239 1.00 3.21 H new ATOM 0 HG SER A 17 -4.865 -0.388 -13.753 1.00 41.32 H new ATOM 258 N PRO A 18 -2.303 2.365 -12.628 1.00 64.23 N ATOM 259 CA PRO A 18 -2.368 2.990 -11.304 1.00 22.42 C ATOM 260 C PRO A 18 -3.370 2.299 -10.385 1.00 60.45 C ATOM 261 O PRO A 18 -4.324 1.673 -10.850 1.00 21.43 O ATOM 262 CB PRO A 18 -2.819 4.420 -11.608 1.00 55.12 C ATOM 263 CG PRO A 18 -3.553 4.319 -12.901 1.00 21.21 C ATOM 264 CD PRO A 18 -2.873 3.226 -13.678 1.00 72.50 C ATOM 0 HA PRO A 18 -1.414 2.932 -10.779 1.00 22.42 H new ATOM 0 HB2 PRO A 18 -3.461 4.809 -10.818 1.00 55.12 H new ATOM 0 HB3 PRO A 18 -1.967 5.095 -11.688 1.00 55.12 H new ATOM 0 HG2 PRO A 18 -4.605 4.084 -12.736 1.00 21.21 H new ATOM 0 HG3 PRO A 18 -3.519 5.263 -13.444 1.00 21.21 H new ATOM 0 HD2 PRO A 18 -3.578 2.681 -14.306 1.00 72.50 H new ATOM 0 HD3 PRO A 18 -2.100 3.622 -14.336 1.00 72.50 H new ATOM 272 N LEU A 19 -3.149 2.416 -9.081 1.00 25.11 N ATOM 273 CA LEU A 19 -4.033 1.802 -8.096 1.00 52.45 C ATOM 274 C LEU A 19 -5.341 2.580 -7.980 1.00 64.52 C ATOM 275 O LEU A 19 -5.467 3.684 -8.509 1.00 72.34 O ATOM 276 CB LEU A 19 -3.343 1.736 -6.733 1.00 12.11 C ATOM 277 CG LEU A 19 -1.970 1.063 -6.707 1.00 52.45 C ATOM 278 CD1 LEU A 19 -1.456 0.953 -5.280 1.00 73.14 C ATOM 279 CD2 LEU A 19 -2.037 -0.310 -7.360 1.00 41.42 C ATOM 0 H LEU A 19 -2.365 2.931 -8.680 1.00 25.11 H new ATOM 0 HA LEU A 19 -4.261 0.790 -8.429 1.00 52.45 H new ATOM 0 HB2 LEU A 19 -3.234 2.752 -6.354 1.00 12.11 H new ATOM 0 HB3 LEU A 19 -3.998 1.206 -6.042 1.00 12.11 H new ATOM 0 HG LEU A 19 -1.273 1.680 -7.275 1.00 52.45 H new ATOM 0 HD11 LEU A 19 -0.478 0.472 -5.282 1.00 73.14 H new ATOM 0 HD12 LEU A 19 -1.369 1.949 -4.847 1.00 73.14 H new ATOM 0 HD13 LEU A 19 -2.152 0.359 -4.687 1.00 73.14 H new ATOM 0 HD21 LEU A 19 -1.051 -0.774 -7.333 1.00 41.42 H new ATOM 0 HD22 LEU A 19 -2.748 -0.935 -6.820 1.00 41.42 H new ATOM 0 HD23 LEU A 19 -2.360 -0.205 -8.396 1.00 41.42 H new ATOM 291 N SER A 20 -6.310 1.996 -7.283 1.00 1.05 N ATOM 292 CA SER A 20 -7.609 2.633 -7.098 1.00 24.12 C ATOM 293 C SER A 20 -8.224 2.234 -5.760 1.00 71.52 C ATOM 294 O SER A 20 -7.852 1.218 -5.171 1.00 33.23 O ATOM 295 CB SER A 20 -8.553 2.254 -8.240 1.00 51.01 C ATOM 296 OG SER A 20 -8.610 0.848 -8.410 1.00 45.33 O ATOM 0 H SER A 20 -6.221 1.083 -6.837 1.00 1.05 H new ATOM 0 HA SER A 20 -7.461 3.713 -7.102 1.00 24.12 H new ATOM 0 HB2 SER A 20 -9.552 2.639 -8.033 1.00 51.01 H new ATOM 0 HB3 SER A 20 -8.216 2.722 -9.165 1.00 51.01 H new ATOM 0 HG SER A 20 -9.221 0.632 -9.145 1.00 45.33 H new ATOM 302 N LEU A 21 -9.168 3.040 -5.286 1.00 63.43 N ATOM 303 CA LEU A 21 -9.837 2.772 -4.018 1.00 24.12 C ATOM 304 C LEU A 21 -10.587 1.445 -4.067 1.00 64.32 C ATOM 305 O LEU A 21 -11.027 1.007 -5.131 1.00 3.40 O ATOM 306 CB LEU A 21 -10.806 3.906 -3.680 1.00 43.33 C ATOM 307 CG LEU A 21 -11.790 3.632 -2.542 1.00 44.23 C ATOM 308 CD1 LEU A 21 -11.055 3.533 -1.214 1.00 54.42 C ATOM 309 CD2 LEU A 21 -12.855 4.717 -2.485 1.00 41.45 C ATOM 0 H LEU A 21 -9.487 3.884 -5.761 1.00 63.43 H new ATOM 0 HA LEU A 21 -9.075 2.709 -3.241 1.00 24.12 H new ATOM 0 HB2 LEU A 21 -10.223 4.791 -3.424 1.00 43.33 H new ATOM 0 HB3 LEU A 21 -11.377 4.148 -4.576 1.00 43.33 H new ATOM 0 HG LEU A 21 -12.282 2.678 -2.734 1.00 44.23 H new ATOM 0 HD11 LEU A 21 -11.771 3.338 -0.416 1.00 54.42 H new ATOM 0 HD12 LEU A 21 -10.331 2.720 -1.259 1.00 54.42 H new ATOM 0 HD13 LEU A 21 -10.536 4.471 -1.015 1.00 54.42 H new ATOM 0 HD21 LEU A 21 -13.546 4.506 -1.669 1.00 41.45 H new ATOM 0 HD22 LEU A 21 -12.381 5.684 -2.317 1.00 41.45 H new ATOM 0 HD23 LEU A 21 -13.402 4.740 -3.428 1.00 41.45 H new ATOM 321 N HIS A 22 -10.731 0.809 -2.909 1.00 22.32 N ATOM 322 CA HIS A 22 -11.431 -0.468 -2.819 1.00 44.15 C ATOM 323 C HIS A 22 -12.655 -0.354 -1.916 1.00 71.24 C ATOM 324 O HIS A 22 -12.575 0.180 -0.810 1.00 51.43 O ATOM 325 CB HIS A 22 -10.491 -1.552 -2.291 1.00 34.43 C ATOM 326 CG HIS A 22 -10.946 -2.944 -2.606 1.00 31.21 C ATOM 327 ND1 HIS A 22 -10.909 -3.974 -1.689 1.00 52.32 N ATOM 328 CD2 HIS A 22 -11.452 -3.474 -3.744 1.00 44.03 C ATOM 329 CE1 HIS A 22 -11.371 -5.077 -2.251 1.00 3.13 C ATOM 330 NE2 HIS A 22 -11.707 -4.800 -3.498 1.00 32.53 N ATOM 0 H HIS A 22 -10.372 1.157 -2.020 1.00 22.32 H new ATOM 0 HA HIS A 22 -11.765 -0.743 -3.819 1.00 44.15 H new ATOM 0 HB2 HIS A 22 -9.498 -1.398 -2.714 1.00 34.43 H new ATOM 0 HB3 HIS A 22 -10.397 -1.445 -1.210 1.00 34.43 H new ATOM 0 HD2 HIS A 22 -11.623 -2.951 -4.673 1.00 44.03 H new ATOM 0 HE1 HIS A 22 -11.459 -6.041 -1.772 1.00 3.13 H new ATOM 0 HE2 HIS A 22 -12.093 -5.464 -4.169 1.00 32.53 H new ATOM 338 N ASP A 23 -13.786 -0.859 -2.396 1.00 34.23 N ATOM 339 CA ASP A 23 -15.028 -0.815 -1.632 1.00 3.34 C ATOM 340 C ASP A 23 -14.861 -1.507 -0.283 1.00 23.14 C ATOM 341 O ASP A 23 -15.597 -1.230 0.664 1.00 73.11 O ATOM 342 CB ASP A 23 -16.161 -1.473 -2.420 1.00 62.31 C ATOM 343 CG ASP A 23 -16.988 -0.467 -3.195 1.00 51.41 C ATOM 344 OD1 ASP A 23 -16.406 0.514 -3.705 1.00 64.41 O ATOM 345 OD2 ASP A 23 -18.218 -0.659 -3.293 1.00 21.55 O ATOM 0 H ASP A 23 -13.869 -1.304 -3.310 1.00 34.23 H new ATOM 0 HA ASP A 23 -15.279 0.231 -1.455 1.00 3.34 H new ATOM 0 HB2 ASP A 23 -15.742 -2.204 -3.112 1.00 62.31 H new ATOM 0 HB3 ASP A 23 -16.808 -2.019 -1.733 1.00 62.31 H new ATOM 350 N SER A 24 -13.888 -2.410 -0.203 1.00 12.32 N ATOM 351 CA SER A 24 -13.627 -3.146 1.029 1.00 55.42 C ATOM 352 C SER A 24 -12.730 -2.340 1.963 1.00 22.22 C ATOM 353 O SER A 24 -12.955 -2.296 3.172 1.00 0.22 O ATOM 354 CB SER A 24 -12.976 -4.494 0.714 1.00 14.22 C ATOM 355 OG SER A 24 -13.616 -5.545 1.417 1.00 63.21 O ATOM 0 H SER A 24 -13.268 -2.649 -0.977 1.00 12.32 H new ATOM 0 HA SER A 24 -14.580 -3.319 1.529 1.00 55.42 H new ATOM 0 HB2 SER A 24 -13.027 -4.685 -0.358 1.00 14.22 H new ATOM 0 HB3 SER A 24 -11.920 -4.463 0.982 1.00 14.22 H new ATOM 0 HG SER A 24 -13.183 -6.396 1.198 1.00 63.21 H new ATOM 361 N MET A 25 -11.711 -1.705 1.393 1.00 52.01 N ATOM 362 CA MET A 25 -10.779 -0.900 2.174 1.00 14.20 C ATOM 363 C MET A 25 -11.438 0.394 2.641 1.00 51.43 C ATOM 364 O MET A 25 -12.628 0.614 2.415 1.00 53.12 O ATOM 365 CB MET A 25 -9.531 -0.582 1.349 1.00 50.32 C ATOM 366 CG MET A 25 -9.712 0.593 0.401 1.00 1.35 C ATOM 367 SD MET A 25 -8.156 1.147 -0.323 1.00 15.31 S ATOM 368 CE MET A 25 -7.706 -0.287 -1.296 1.00 75.25 C ATOM 0 H MET A 25 -11.510 -1.732 0.393 1.00 52.01 H new ATOM 0 HA MET A 25 -10.488 -1.476 3.052 1.00 14.20 H new ATOM 0 HB2 MET A 25 -8.703 -0.369 2.025 1.00 50.32 H new ATOM 0 HB3 MET A 25 -9.252 -1.464 0.772 1.00 50.32 H new ATOM 0 HG2 MET A 25 -10.399 0.309 -0.396 1.00 1.35 H new ATOM 0 HG3 MET A 25 -10.173 1.421 0.939 1.00 1.35 H new ATOM 0 HE1 MET A 25 -6.621 -0.345 -1.377 1.00 75.25 H new ATOM 0 HE2 MET A 25 -8.083 -1.188 -0.812 1.00 75.25 H new ATOM 0 HE3 MET A 25 -8.140 -0.202 -2.292 1.00 75.25 H new ATOM 378 N LYS A 26 -10.657 1.249 3.293 1.00 31.32 N ATOM 379 CA LYS A 26 -11.164 2.522 3.791 1.00 25.04 C ATOM 380 C LYS A 26 -10.346 3.686 3.240 1.00 72.20 C ATOM 381 O LYS A 26 -10.893 4.736 2.901 1.00 33.42 O ATOM 382 CB LYS A 26 -11.133 2.543 5.321 1.00 2.13 C ATOM 383 CG LYS A 26 -12.505 2.690 5.955 1.00 12.32 C ATOM 384 CD LYS A 26 -12.748 4.111 6.436 1.00 1.11 C ATOM 385 CE LYS A 26 -13.933 4.183 7.386 1.00 14.23 C ATOM 386 NZ LYS A 26 -15.121 4.813 6.745 1.00 63.10 N ATOM 0 H LYS A 26 -9.670 1.083 3.489 1.00 31.32 H new ATOM 0 HA LYS A 26 -12.194 2.632 3.453 1.00 25.04 H new ATOM 0 HB2 LYS A 26 -10.673 1.622 5.679 1.00 2.13 H new ATOM 0 HB3 LYS A 26 -10.499 3.366 5.652 1.00 2.13 H new ATOM 0 HG2 LYS A 26 -13.272 2.413 5.232 1.00 12.32 H new ATOM 0 HG3 LYS A 26 -12.595 2.000 6.794 1.00 12.32 H new ATOM 0 HD2 LYS A 26 -11.855 4.484 6.938 1.00 1.11 H new ATOM 0 HD3 LYS A 26 -12.927 4.761 5.579 1.00 1.11 H new ATOM 0 HE2 LYS A 26 -14.191 3.178 7.721 1.00 14.23 H new ATOM 0 HE3 LYS A 26 -13.654 4.753 8.272 1.00 14.23 H new ATOM 0 HZ1 LYS A 26 -15.907 4.843 7.425 1.00 63.10 H new ATOM 0 HZ2 LYS A 26 -14.883 5.781 6.448 1.00 63.10 H new ATOM 0 HZ3 LYS A 26 -15.404 4.255 5.914 1.00 63.10 H new ATOM 400 N TYR A 27 -9.035 3.492 3.151 1.00 11.33 N ATOM 401 CA TYR A 27 -8.143 4.526 2.641 1.00 4.54 C ATOM 402 C TYR A 27 -7.101 3.931 1.699 1.00 1.01 C ATOM 403 O TYR A 27 -6.691 2.780 1.855 1.00 4.14 O ATOM 404 CB TYR A 27 -7.448 5.246 3.799 1.00 62.03 C ATOM 405 CG TYR A 27 -7.098 6.685 3.494 1.00 2.02 C ATOM 406 CD1 TYR A 27 -8.092 7.638 3.311 1.00 51.25 C ATOM 407 CD2 TYR A 27 -5.773 7.091 3.389 1.00 14.52 C ATOM 408 CE1 TYR A 27 -7.777 8.954 3.031 1.00 12.14 C ATOM 409 CE2 TYR A 27 -5.449 8.405 3.112 1.00 53.41 C ATOM 410 CZ TYR A 27 -6.455 9.333 2.934 1.00 64.23 C ATOM 411 OH TYR A 27 -6.136 10.642 2.656 1.00 42.41 O ATOM 0 H TYR A 27 -8.567 2.628 3.425 1.00 11.33 H new ATOM 0 HA TYR A 27 -8.743 5.244 2.082 1.00 4.54 H new ATOM 0 HB2 TYR A 27 -8.095 5.216 4.675 1.00 62.03 H new ATOM 0 HB3 TYR A 27 -6.537 4.706 4.057 1.00 62.03 H new ATOM 0 HD1 TYR A 27 -9.129 7.345 3.389 1.00 51.25 H new ATOM 0 HD2 TYR A 27 -4.983 6.367 3.526 1.00 14.52 H new ATOM 0 HE1 TYR A 27 -8.562 9.682 2.889 1.00 12.14 H new ATOM 0 HE2 TYR A 27 -4.414 8.704 3.035 1.00 53.41 H new ATOM 0 HH TYR A 27 -6.756 10.994 1.983 1.00 42.41 H new ATOM 421 N LEU A 28 -6.677 4.723 0.721 1.00 45.12 N ATOM 422 CA LEU A 28 -5.682 4.276 -0.248 1.00 44.51 C ATOM 423 C LEU A 28 -4.511 5.252 -0.316 1.00 10.13 C ATOM 424 O LEU A 28 -4.700 6.452 -0.513 1.00 12.54 O ATOM 425 CB LEU A 28 -6.318 4.129 -1.631 1.00 51.22 C ATOM 426 CG LEU A 28 -5.350 4.077 -2.814 1.00 1.14 C ATOM 427 CD1 LEU A 28 -4.256 3.051 -2.563 1.00 20.11 C ATOM 428 CD2 LEU A 28 -6.097 3.760 -4.101 1.00 23.31 C ATOM 0 H LEU A 28 -7.006 5.678 0.578 1.00 45.12 H new ATOM 0 HA LEU A 28 -5.305 3.306 0.077 1.00 44.51 H new ATOM 0 HB2 LEU A 28 -6.918 3.219 -1.638 1.00 51.22 H new ATOM 0 HB3 LEU A 28 -7.003 4.963 -1.784 1.00 51.22 H new ATOM 0 HG LEU A 28 -4.883 5.056 -2.921 1.00 1.14 H new ATOM 0 HD11 LEU A 28 -3.577 3.028 -3.415 1.00 20.11 H new ATOM 0 HD12 LEU A 28 -3.702 3.322 -1.664 1.00 20.11 H new ATOM 0 HD13 LEU A 28 -4.704 2.066 -2.429 1.00 20.11 H new ATOM 0 HD21 LEU A 28 -5.392 3.727 -4.932 1.00 23.31 H new ATOM 0 HD22 LEU A 28 -6.592 2.793 -4.006 1.00 23.31 H new ATOM 0 HD23 LEU A 28 -6.843 4.532 -4.288 1.00 23.31 H new ATOM 440 N VAL A 29 -3.300 4.728 -0.153 1.00 73.11 N ATOM 441 CA VAL A 29 -2.098 5.552 -0.199 1.00 71.31 C ATOM 442 C VAL A 29 -0.978 4.847 -0.956 1.00 2.11 C ATOM 443 O VAL A 29 -0.575 3.740 -0.600 1.00 25.35 O ATOM 444 CB VAL A 29 -1.604 5.903 1.217 1.00 53.32 C ATOM 445 CG1 VAL A 29 -0.314 6.706 1.148 1.00 11.24 C ATOM 446 CG2 VAL A 29 -2.676 6.666 1.981 1.00 75.35 C ATOM 0 H VAL A 29 -3.126 3.737 0.012 1.00 73.11 H new ATOM 0 HA VAL A 29 -2.363 6.471 -0.721 1.00 71.31 H new ATOM 0 HB VAL A 29 -1.399 4.976 1.752 1.00 53.32 H new ATOM 0 HG11 VAL A 29 0.020 6.945 2.158 1.00 11.24 H new ATOM 0 HG12 VAL A 29 0.453 6.120 0.641 1.00 11.24 H new ATOM 0 HG13 VAL A 29 -0.489 7.629 0.596 1.00 11.24 H new ATOM 0 HG21 VAL A 29 -2.310 6.906 2.979 1.00 75.35 H new ATOM 0 HG22 VAL A 29 -2.914 7.588 1.451 1.00 75.35 H new ATOM 0 HG23 VAL A 29 -3.573 6.051 2.061 1.00 75.35 H new ATOM 456 N TYR A 30 -0.479 5.496 -2.002 1.00 4.44 N ATOM 457 CA TYR A 30 0.595 4.932 -2.811 1.00 32.52 C ATOM 458 C TYR A 30 1.433 6.034 -3.451 1.00 11.24 C ATOM 459 O TYR A 30 0.948 7.142 -3.681 1.00 24.24 O ATOM 460 CB TYR A 30 0.019 4.019 -3.895 1.00 55.40 C ATOM 461 CG TYR A 30 -0.541 4.769 -5.083 1.00 10.43 C ATOM 462 CD1 TYR A 30 -1.848 5.241 -5.079 1.00 60.51 C ATOM 463 CD2 TYR A 30 0.238 5.008 -6.208 1.00 61.44 C ATOM 464 CE1 TYR A 30 -2.363 5.925 -6.162 1.00 54.44 C ATOM 465 CE2 TYR A 30 -0.269 5.693 -7.296 1.00 25.13 C ATOM 466 CZ TYR A 30 -1.570 6.149 -7.268 1.00 42.31 C ATOM 467 OH TYR A 30 -2.079 6.832 -8.349 1.00 11.53 O ATOM 0 H TYR A 30 -0.801 6.414 -2.310 1.00 4.44 H new ATOM 0 HA TYR A 30 1.239 4.346 -2.156 1.00 32.52 H new ATOM 0 HB2 TYR A 30 0.799 3.340 -4.239 1.00 55.40 H new ATOM 0 HB3 TYR A 30 -0.769 3.404 -3.460 1.00 55.40 H new ATOM 0 HD1 TYR A 30 -2.472 5.070 -4.214 1.00 60.51 H new ATOM 0 HD2 TYR A 30 1.257 4.652 -6.233 1.00 61.44 H new ATOM 0 HE1 TYR A 30 -3.382 6.283 -6.143 1.00 54.44 H new ATOM 0 HE2 TYR A 30 0.350 5.870 -8.163 1.00 25.13 H new ATOM 0 HH TYR A 30 -1.391 6.905 -9.043 1.00 11.53 H new ATOM 477 N GLN A 31 2.693 5.721 -3.736 1.00 33.15 N ATOM 478 CA GLN A 31 3.599 6.685 -4.349 1.00 30.42 C ATOM 479 C GLN A 31 4.466 6.017 -5.411 1.00 22.21 C ATOM 480 O GLN A 31 4.696 4.808 -5.371 1.00 32.43 O ATOM 481 CB GLN A 31 4.485 7.333 -3.284 1.00 21.35 C ATOM 482 CG GLN A 31 5.972 7.217 -3.576 1.00 62.24 C ATOM 483 CD GLN A 31 6.830 7.848 -2.498 1.00 4.21 C ATOM 484 OE1 GLN A 31 7.836 7.278 -2.076 1.00 25.54 O ATOM 485 NE2 GLN A 31 6.437 9.033 -2.046 1.00 14.02 N ATOM 0 H GLN A 31 3.109 4.808 -3.552 1.00 33.15 H new ATOM 0 HA GLN A 31 2.998 7.457 -4.829 1.00 30.42 H new ATOM 0 HB2 GLN A 31 4.222 8.387 -3.197 1.00 21.35 H new ATOM 0 HB3 GLN A 31 4.276 6.871 -2.319 1.00 21.35 H new ATOM 0 HG2 GLN A 31 6.237 6.165 -3.676 1.00 62.24 H new ATOM 0 HG3 GLN A 31 6.189 7.693 -4.532 1.00 62.24 H new ATOM 0 HE21 GLN A 31 5.596 9.470 -2.424 1.00 14.02 H new ATOM 0 HE22 GLN A 31 6.976 9.507 -1.321 1.00 14.02 H new ATOM 494 N THR A 32 4.946 6.812 -6.362 1.00 50.21 N ATOM 495 CA THR A 32 5.786 6.298 -7.436 1.00 45.31 C ATOM 496 C THR A 32 7.265 6.445 -7.095 1.00 60.31 C ATOM 497 O THR A 32 7.691 7.473 -6.571 1.00 40.21 O ATOM 498 CB THR A 32 5.504 7.022 -8.766 1.00 11.30 C ATOM 499 OG1 THR A 32 4.204 7.623 -8.730 1.00 64.34 O ATOM 500 CG2 THR A 32 5.589 6.055 -9.937 1.00 44.43 C ATOM 0 H THR A 32 4.767 7.815 -6.410 1.00 50.21 H new ATOM 0 HA THR A 32 5.544 5.241 -7.548 1.00 45.31 H new ATOM 0 HB THR A 32 6.259 7.797 -8.900 1.00 11.30 H new ATOM 0 HG1 THR A 32 4.033 8.083 -9.578 1.00 64.34 H new ATOM 0 HG21 THR A 32 5.386 6.589 -10.865 1.00 44.43 H new ATOM 0 HG22 THR A 32 6.588 5.621 -9.979 1.00 44.43 H new ATOM 0 HG23 THR A 32 4.854 5.261 -9.807 1.00 44.43 H new ATOM 508 N GLU A 33 8.043 5.409 -7.397 1.00 15.44 N ATOM 509 CA GLU A 33 9.474 5.424 -7.121 1.00 44.52 C ATOM 510 C GLU A 33 10.261 4.862 -8.301 1.00 44.25 C ATOM 511 O GLU A 33 9.696 4.224 -9.189 1.00 24.42 O ATOM 512 CB GLU A 33 9.782 4.617 -5.858 1.00 51.41 C ATOM 513 CG GLU A 33 9.599 5.406 -4.572 1.00 72.13 C ATOM 514 CD GLU A 33 9.429 4.512 -3.359 1.00 53.31 C ATOM 515 OE1 GLU A 33 8.324 3.960 -3.179 1.00 34.32 O ATOM 516 OE2 GLU A 33 10.402 4.366 -2.590 1.00 72.30 O ATOM 0 H GLU A 33 7.706 4.550 -7.832 1.00 15.44 H new ATOM 0 HA GLU A 33 9.776 6.459 -6.964 1.00 44.52 H new ATOM 0 HB2 GLU A 33 9.136 3.740 -5.831 1.00 51.41 H new ATOM 0 HB3 GLU A 33 10.809 4.255 -5.909 1.00 51.41 H new ATOM 0 HG2 GLU A 33 10.462 6.055 -4.422 1.00 72.13 H new ATOM 0 HG3 GLU A 33 8.727 6.052 -4.668 1.00 72.13 H new ATOM 523 N GLN A 34 11.568 5.106 -8.304 1.00 21.44 N ATOM 524 CA GLN A 34 12.432 4.625 -9.375 1.00 24.21 C ATOM 525 C GLN A 34 13.408 3.573 -8.857 1.00 34.22 C ATOM 526 O GLN A 34 14.020 3.744 -7.804 1.00 13.54 O ATOM 527 CB GLN A 34 13.204 5.789 -9.998 1.00 52.51 C ATOM 528 CG GLN A 34 13.121 5.832 -11.515 1.00 73.34 C ATOM 529 CD GLN A 34 14.450 5.535 -12.181 1.00 40.51 C ATOM 530 OE1 GLN A 34 15.260 4.767 -11.662 1.00 32.30 O ATOM 531 NE2 GLN A 34 14.682 6.145 -13.338 1.00 2.44 N ATOM 0 H GLN A 34 12.051 5.634 -7.577 1.00 21.44 H new ATOM 0 HA GLN A 34 11.802 4.166 -10.137 1.00 24.21 H new ATOM 0 HB2 GLN A 34 12.820 6.726 -9.595 1.00 52.51 H new ATOM 0 HB3 GLN A 34 14.251 5.720 -9.702 1.00 52.51 H new ATOM 0 HG2 GLN A 34 12.379 5.109 -11.855 1.00 73.34 H new ATOM 0 HG3 GLN A 34 12.774 6.817 -11.828 1.00 73.34 H new ATOM 0 HE21 GLN A 34 13.982 6.774 -13.732 1.00 2.44 H new ATOM 0 HE22 GLN A 34 15.560 5.984 -13.832 1.00 2.44 H new ATOM 540 N GLY A 35 13.547 2.482 -9.605 1.00 11.41 N ATOM 541 CA GLY A 35 14.449 1.418 -9.204 1.00 53.23 C ATOM 542 C GLY A 35 14.680 0.407 -10.310 1.00 13.12 C ATOM 543 O GLY A 35 14.787 0.772 -11.480 1.00 73.10 O ATOM 0 H GLY A 35 13.051 2.316 -10.481 1.00 11.41 H new ATOM 0 HA2 GLY A 35 15.404 1.849 -8.905 1.00 53.23 H new ATOM 0 HA3 GLY A 35 14.041 0.910 -8.330 1.00 53.23 H new ATOM 547 N GLU A 36 14.758 -0.867 -9.938 1.00 3.33 N ATOM 548 CA GLU A 36 14.981 -1.933 -10.908 1.00 13.35 C ATOM 549 C GLU A 36 14.069 -1.764 -12.120 1.00 22.33 C ATOM 550 O GLU A 36 12.999 -1.164 -12.026 1.00 41.13 O ATOM 551 CB GLU A 36 14.741 -3.299 -10.261 1.00 51.32 C ATOM 552 CG GLU A 36 13.381 -3.427 -9.595 1.00 41.33 C ATOM 553 CD GLU A 36 13.318 -4.582 -8.615 1.00 2.54 C ATOM 554 OE1 GLU A 36 14.140 -4.608 -7.675 1.00 30.21 O ATOM 555 OE2 GLU A 36 12.446 -5.459 -8.787 1.00 41.23 O ATOM 0 H GLU A 36 14.670 -1.186 -8.973 1.00 3.33 H new ATOM 0 HA GLU A 36 16.017 -1.875 -11.243 1.00 13.35 H new ATOM 0 HB2 GLU A 36 14.838 -4.074 -11.021 1.00 51.32 H new ATOM 0 HB3 GLU A 36 15.518 -3.482 -9.519 1.00 51.32 H new ATOM 0 HG2 GLU A 36 13.148 -2.499 -9.073 1.00 41.33 H new ATOM 0 HG3 GLU A 36 12.617 -3.563 -10.361 1.00 41.33 H new ATOM 562 N ALA A 37 14.502 -2.299 -13.257 1.00 2.40 N ATOM 563 CA ALA A 37 13.726 -2.209 -14.487 1.00 74.43 C ATOM 564 C ALA A 37 13.625 -0.766 -14.970 1.00 24.41 C ATOM 565 O ALA A 37 13.427 0.152 -14.175 1.00 74.35 O ATOM 566 CB ALA A 37 12.337 -2.796 -14.279 1.00 3.14 C ATOM 0 H ALA A 37 15.386 -2.799 -13.351 1.00 2.40 H new ATOM 0 HA ALA A 37 14.242 -2.786 -15.255 1.00 74.43 H new ATOM 0 HB1 ALA A 37 11.768 -2.722 -15.206 1.00 3.14 H new ATOM 0 HB2 ALA A 37 12.424 -3.843 -13.989 1.00 3.14 H new ATOM 0 HB3 ALA A 37 11.823 -2.244 -13.493 1.00 3.14 H new ATOM 572 N GLY A 38 13.765 -0.573 -16.278 1.00 61.40 N ATOM 573 CA GLY A 38 13.688 0.761 -16.843 1.00 61.15 C ATOM 574 C GLY A 38 12.434 1.499 -16.420 1.00 33.35 C ATOM 575 O GLY A 38 12.405 2.728 -16.403 1.00 13.40 O ATOM 0 H GLY A 38 13.930 -1.317 -16.956 1.00 61.40 H new ATOM 0 HA2 GLY A 38 14.563 1.333 -16.536 1.00 61.15 H new ATOM 0 HA3 GLY A 38 13.717 0.694 -17.931 1.00 61.15 H new ATOM 579 N ASN A 39 11.393 0.746 -16.077 1.00 63.23 N ATOM 580 CA ASN A 39 10.129 1.336 -15.654 1.00 11.34 C ATOM 581 C ASN A 39 10.182 1.739 -14.183 1.00 44.20 C ATOM 582 O ASN A 39 11.250 1.747 -13.570 1.00 2.32 O ATOM 583 CB ASN A 39 8.980 0.352 -15.883 1.00 22.02 C ATOM 584 CG ASN A 39 8.963 -0.197 -17.296 1.00 60.52 C ATOM 585 OD1 ASN A 39 8.524 0.474 -18.230 1.00 1.21 O ATOM 586 ND2 ASN A 39 9.442 -1.425 -17.459 1.00 72.33 N ATOM 0 H ASN A 39 11.401 -0.274 -16.084 1.00 63.23 H new ATOM 0 HA ASN A 39 9.957 2.231 -16.252 1.00 11.34 H new ATOM 0 HB2 ASN A 39 9.066 -0.473 -15.176 1.00 22.02 H new ATOM 0 HB3 ASN A 39 8.032 0.850 -15.678 1.00 22.02 H new ATOM 0 HD21 ASN A 39 9.456 -1.848 -18.387 1.00 72.33 H new ATOM 0 HD22 ASN A 39 9.796 -1.945 -16.656 1.00 72.33 H new ATOM 593 N ILE A 40 9.024 2.072 -13.624 1.00 31.00 N ATOM 594 CA ILE A 40 8.939 2.474 -12.226 1.00 13.05 C ATOM 595 C ILE A 40 8.122 1.474 -11.415 1.00 20.43 C ATOM 596 O ILE A 40 7.433 0.620 -11.974 1.00 62.31 O ATOM 597 CB ILE A 40 8.309 3.872 -12.079 1.00 62.00 C ATOM 598 CG1 ILE A 40 7.087 4.003 -12.990 1.00 32.22 C ATOM 599 CG2 ILE A 40 9.333 4.950 -12.400 1.00 4.32 C ATOM 600 CD1 ILE A 40 6.433 5.366 -12.932 1.00 31.44 C ATOM 0 H ILE A 40 8.132 2.071 -14.118 1.00 31.00 H new ATOM 0 HA ILE A 40 9.959 2.502 -11.844 1.00 13.05 H new ATOM 0 HB ILE A 40 7.985 4.002 -11.046 1.00 62.00 H new ATOM 0 HG12 ILE A 40 7.386 3.796 -14.018 1.00 32.22 H new ATOM 0 HG13 ILE A 40 6.354 3.245 -12.713 1.00 32.22 H new ATOM 0 HG21 ILE A 40 8.873 5.932 -12.292 1.00 4.32 H new ATOM 0 HG22 ILE A 40 10.176 4.867 -11.714 1.00 4.32 H new ATOM 0 HG23 ILE A 40 9.684 4.825 -13.424 1.00 4.32 H new ATOM 0 HD11 ILE A 40 5.574 5.386 -13.603 1.00 31.44 H new ATOM 0 HD12 ILE A 40 6.103 5.568 -11.913 1.00 31.44 H new ATOM 0 HD13 ILE A 40 7.151 6.127 -13.238 1.00 31.44 H new ATOM 612 N HIS A 41 8.202 1.586 -10.093 1.00 22.15 N ATOM 613 CA HIS A 41 7.468 0.692 -9.203 1.00 43.44 C ATOM 614 C HIS A 41 6.557 1.483 -8.269 1.00 42.35 C ATOM 615 O HIS A 41 6.787 2.666 -8.015 1.00 64.25 O ATOM 616 CB HIS A 41 8.440 -0.159 -8.386 1.00 70.53 C ATOM 617 CG HIS A 41 9.613 0.609 -7.860 1.00 21.41 C ATOM 618 ND1 HIS A 41 9.737 1.913 -7.521 1.00 55.13 N flip ATOM 619 CD2 HIS A 41 10.846 0.035 -7.628 1.00 43.22 C flip ATOM 620 CE1 HIS A 41 11.029 2.102 -7.094 1.00 55.23 C flip ATOM 621 NE2 HIS A 41 11.677 0.953 -7.168 1.00 72.14 N flip ATOM 0 H HIS A 41 8.768 2.287 -9.614 1.00 22.15 H new ATOM 0 HA HIS A 41 6.849 0.036 -9.816 1.00 43.44 H new ATOM 0 HB2 HIS A 41 7.904 -0.605 -7.549 1.00 70.53 H new ATOM 0 HB3 HIS A 41 8.802 -0.979 -9.006 1.00 70.53 H new ATOM 0 HD1 HIS A 41 9.007 2.624 -7.573 1.00 55.13 H new ATOM 0 HD2 HIS A 41 11.093 -1.003 -7.796 1.00 43.22 H new ATOM 0 HE1 HIS A 41 11.447 3.038 -6.753 1.00 55.23 H new ATOM 629 N PHE A 42 5.522 0.823 -7.762 1.00 32.13 N ATOM 630 CA PHE A 42 4.575 1.465 -6.857 1.00 71.32 C ATOM 631 C PHE A 42 4.752 0.952 -5.431 1.00 70.10 C ATOM 632 O PHE A 42 4.909 -0.248 -5.208 1.00 21.04 O ATOM 633 CB PHE A 42 3.140 1.215 -7.326 1.00 51.43 C ATOM 634 CG PHE A 42 2.691 2.156 -8.408 1.00 11.02 C ATOM 635 CD1 PHE A 42 3.521 2.449 -9.478 1.00 14.00 C ATOM 636 CD2 PHE A 42 1.439 2.748 -8.354 1.00 21.32 C ATOM 637 CE1 PHE A 42 3.110 3.314 -10.475 1.00 63.11 C ATOM 638 CE2 PHE A 42 1.023 3.613 -9.348 1.00 62.11 C ATOM 639 CZ PHE A 42 1.860 3.897 -10.409 1.00 43.43 C ATOM 0 H PHE A 42 5.317 -0.156 -7.962 1.00 32.13 H new ATOM 0 HA PHE A 42 4.772 2.537 -6.866 1.00 71.32 H new ATOM 0 HB2 PHE A 42 3.058 0.191 -7.689 1.00 51.43 H new ATOM 0 HB3 PHE A 42 2.467 1.306 -6.474 1.00 51.43 H new ATOM 0 HD1 PHE A 42 4.500 1.997 -9.534 1.00 14.00 H new ATOM 0 HD2 PHE A 42 0.781 2.531 -7.526 1.00 21.32 H new ATOM 0 HE1 PHE A 42 3.766 3.534 -11.305 1.00 63.11 H new ATOM 0 HE2 PHE A 42 0.044 4.067 -9.295 1.00 62.11 H new ATOM 0 HZ PHE A 42 1.537 4.574 -11.186 1.00 43.43 H new ATOM 649 N GLN A 43 4.726 1.871 -4.471 1.00 32.52 N ATOM 650 CA GLN A 43 4.885 1.512 -3.067 1.00 35.35 C ATOM 651 C GLN A 43 4.040 2.416 -2.175 1.00 30.22 C ATOM 652 O GLN A 43 3.803 3.579 -2.499 1.00 71.54 O ATOM 653 CB GLN A 43 6.356 1.603 -2.658 1.00 52.01 C ATOM 654 CG GLN A 43 7.028 0.249 -2.499 1.00 22.04 C ATOM 655 CD GLN A 43 8.515 0.298 -2.791 1.00 31.42 C ATOM 656 OE1 GLN A 43 9.341 0.217 -1.881 1.00 40.32 O ATOM 657 NE2 GLN A 43 8.864 0.429 -4.065 1.00 41.41 N ATOM 0 H GLN A 43 4.596 2.869 -4.640 1.00 32.52 H new ATOM 0 HA GLN A 43 4.543 0.485 -2.940 1.00 35.35 H new ATOM 0 HB2 GLN A 43 6.897 2.182 -3.406 1.00 52.01 H new ATOM 0 HB3 GLN A 43 6.430 2.149 -1.717 1.00 52.01 H new ATOM 0 HG2 GLN A 43 6.873 -0.112 -1.482 1.00 22.04 H new ATOM 0 HG3 GLN A 43 6.554 -0.469 -3.168 1.00 22.04 H new ATOM 0 HE21 GLN A 43 8.146 0.492 -4.787 1.00 41.41 H new ATOM 0 HE22 GLN A 43 9.850 0.466 -4.322 1.00 41.41 H new ATOM 666 N GLY A 44 3.588 1.873 -1.048 1.00 73.24 N ATOM 667 CA GLY A 44 2.774 2.644 -0.128 1.00 13.45 C ATOM 668 C GLY A 44 2.076 1.774 0.898 1.00 34.15 C ATOM 669 O GLY A 44 2.388 0.591 1.034 1.00 35.41 O ATOM 0 H GLY A 44 3.772 0.913 -0.757 1.00 73.24 H new ATOM 0 HA2 GLY A 44 3.402 3.372 0.385 1.00 13.45 H new ATOM 0 HA3 GLY A 44 2.029 3.206 -0.691 1.00 13.45 H new ATOM 673 N TYR A 45 1.130 2.360 1.624 1.00 51.22 N ATOM 674 CA TYR A 45 0.389 1.631 2.646 1.00 15.21 C ATOM 675 C TYR A 45 -1.112 1.686 2.375 1.00 43.45 C ATOM 676 O TYR A 45 -1.645 2.725 1.984 1.00 12.43 O ATOM 677 CB TYR A 45 0.689 2.206 4.031 1.00 11.23 C ATOM 678 CG TYR A 45 0.458 3.697 4.131 1.00 15.12 C ATOM 679 CD1 TYR A 45 1.447 4.600 3.763 1.00 3.03 C ATOM 680 CD2 TYR A 45 -0.752 4.203 4.593 1.00 63.33 C ATOM 681 CE1 TYR A 45 1.240 5.963 3.854 1.00 63.23 C ATOM 682 CE2 TYR A 45 -0.968 5.564 4.685 1.00 10.10 C ATOM 683 CZ TYR A 45 0.031 6.440 4.315 1.00 61.11 C ATOM 684 OH TYR A 45 -0.179 7.797 4.405 1.00 34.21 O ATOM 0 H TYR A 45 0.858 3.338 1.523 1.00 51.22 H new ATOM 0 HA TYR A 45 0.708 0.589 2.615 1.00 15.21 H new ATOM 0 HB2 TYR A 45 0.065 1.700 4.768 1.00 11.23 H new ATOM 0 HB3 TYR A 45 1.726 1.989 4.288 1.00 11.23 H new ATOM 0 HD1 TYR A 45 2.394 4.230 3.399 1.00 3.03 H new ATOM 0 HD2 TYR A 45 -1.536 3.520 4.885 1.00 63.33 H new ATOM 0 HE1 TYR A 45 2.021 6.651 3.566 1.00 63.23 H new ATOM 0 HE2 TYR A 45 -1.914 5.940 5.045 1.00 10.10 H new ATOM 0 HH TYR A 45 -1.082 7.966 4.747 1.00 34.21 H new ATOM 694 N ILE A 46 -1.786 0.561 2.584 1.00 31.05 N ATOM 695 CA ILE A 46 -3.225 0.481 2.365 1.00 63.35 C ATOM 696 C ILE A 46 -3.930 -0.144 3.564 1.00 52.33 C ATOM 697 O ILE A 46 -3.559 -1.224 4.021 1.00 61.13 O ATOM 698 CB ILE A 46 -3.557 -0.339 1.104 1.00 64.32 C ATOM 699 CG1 ILE A 46 -2.908 0.294 -0.129 1.00 10.44 C ATOM 700 CG2 ILE A 46 -5.063 -0.444 0.921 1.00 14.14 C ATOM 701 CD1 ILE A 46 -2.349 -0.717 -1.105 1.00 32.12 C ATOM 0 H ILE A 46 -1.359 -0.308 2.905 1.00 31.05 H new ATOM 0 HA ILE A 46 -3.581 1.502 2.229 1.00 63.35 H new ATOM 0 HB ILE A 46 -3.155 -1.345 1.227 1.00 64.32 H new ATOM 0 HG12 ILE A 46 -3.646 0.911 -0.641 1.00 10.44 H new ATOM 0 HG13 ILE A 46 -2.106 0.958 0.193 1.00 10.44 H new ATOM 0 HG21 ILE A 46 -5.281 -1.026 0.026 1.00 14.14 H new ATOM 0 HG22 ILE A 46 -5.502 -0.936 1.789 1.00 14.14 H new ATOM 0 HG23 ILE A 46 -5.487 0.555 0.817 1.00 14.14 H new ATOM 0 HD11 ILE A 46 -1.905 -0.197 -1.954 1.00 32.12 H new ATOM 0 HD12 ILE A 46 -1.587 -1.319 -0.609 1.00 32.12 H new ATOM 0 HD13 ILE A 46 -3.151 -1.365 -1.457 1.00 32.12 H new ATOM 713 N GLU A 47 -4.951 0.544 4.067 1.00 24.20 N ATOM 714 CA GLU A 47 -5.709 0.055 5.213 1.00 41.33 C ATOM 715 C GLU A 47 -7.036 -0.553 4.768 1.00 42.14 C ATOM 716 O GLU A 47 -7.893 0.137 4.216 1.00 3.01 O ATOM 717 CB GLU A 47 -5.964 1.191 6.206 1.00 45.22 C ATOM 718 CG GLU A 47 -4.740 2.053 6.472 1.00 75.41 C ATOM 719 CD GLU A 47 -4.456 2.220 7.952 1.00 41.52 C ATOM 720 OE1 GLU A 47 -4.354 1.195 8.657 1.00 13.11 O ATOM 721 OE2 GLU A 47 -4.335 3.378 8.404 1.00 5.23 O ATOM 0 H GLU A 47 -5.272 1.440 3.700 1.00 24.20 H new ATOM 0 HA GLU A 47 -5.119 -0.720 5.702 1.00 41.33 H new ATOM 0 HB2 GLU A 47 -6.767 1.822 5.825 1.00 45.22 H new ATOM 0 HB3 GLU A 47 -6.312 0.768 7.148 1.00 45.22 H new ATOM 0 HG2 GLU A 47 -3.872 1.605 5.987 1.00 75.41 H new ATOM 0 HG3 GLU A 47 -4.886 3.034 6.021 1.00 75.41 H new ATOM 728 N MET A 48 -7.197 -1.849 5.011 1.00 21.41 N ATOM 729 CA MET A 48 -8.419 -2.551 4.636 1.00 12.11 C ATOM 730 C MET A 48 -9.519 -2.315 5.666 1.00 13.11 C ATOM 731 O MET A 48 -9.321 -1.599 6.648 1.00 34.44 O ATOM 732 CB MET A 48 -8.149 -4.050 4.495 1.00 35.23 C ATOM 733 CG MET A 48 -7.280 -4.401 3.299 1.00 72.52 C ATOM 734 SD MET A 48 -8.178 -5.320 2.033 1.00 14.34 S ATOM 735 CE MET A 48 -8.808 -3.980 1.025 1.00 2.43 C ATOM 0 H MET A 48 -6.497 -2.435 5.466 1.00 21.41 H new ATOM 0 HA MET A 48 -8.754 -2.158 3.676 1.00 12.11 H new ATOM 0 HB2 MET A 48 -7.666 -4.411 5.403 1.00 35.23 H new ATOM 0 HB3 MET A 48 -9.100 -4.576 4.409 1.00 35.23 H new ATOM 0 HG2 MET A 48 -6.881 -3.485 2.863 1.00 72.52 H new ATOM 0 HG3 MET A 48 -6.428 -4.991 3.635 1.00 72.52 H new ATOM 0 HE1 MET A 48 -9.880 -3.874 1.190 1.00 2.43 H new ATOM 0 HE2 MET A 48 -8.305 -3.052 1.297 1.00 2.43 H new ATOM 0 HE3 MET A 48 -8.623 -4.198 -0.027 1.00 2.43 H new ATOM 745 N LYS A 49 -10.679 -2.920 5.436 1.00 73.44 N ATOM 746 CA LYS A 49 -11.811 -2.777 6.343 1.00 33.54 C ATOM 747 C LYS A 49 -11.399 -3.085 7.779 1.00 34.44 C ATOM 748 O LYS A 49 -11.483 -2.227 8.658 1.00 1.00 O ATOM 749 CB LYS A 49 -12.952 -3.705 5.919 1.00 52.12 C ATOM 750 CG LYS A 49 -14.330 -3.183 6.288 1.00 41.33 C ATOM 751 CD LYS A 49 -14.667 -1.913 5.525 1.00 55.41 C ATOM 752 CE LYS A 49 -15.597 -2.196 4.354 1.00 4.24 C ATOM 753 NZ LYS A 49 -17.020 -1.927 4.699 1.00 73.42 N ATOM 0 H LYS A 49 -10.860 -3.515 4.628 1.00 73.44 H new ATOM 0 HA LYS A 49 -12.155 -1.744 6.295 1.00 33.54 H new ATOM 0 HB2 LYS A 49 -12.906 -3.854 4.840 1.00 52.12 H new ATOM 0 HB3 LYS A 49 -12.806 -4.681 6.382 1.00 52.12 H new ATOM 0 HG2 LYS A 49 -15.078 -3.946 6.075 1.00 41.33 H new ATOM 0 HG3 LYS A 49 -14.371 -2.987 7.359 1.00 41.33 H new ATOM 0 HD2 LYS A 49 -15.136 -1.196 6.199 1.00 55.41 H new ATOM 0 HD3 LYS A 49 -13.749 -1.453 5.159 1.00 55.41 H new ATOM 0 HE2 LYS A 49 -15.307 -1.580 3.503 1.00 4.24 H new ATOM 0 HE3 LYS A 49 -15.488 -3.236 4.047 1.00 4.24 H new ATOM 0 HZ1 LYS A 49 -17.622 -2.132 3.876 1.00 73.42 H new ATOM 0 HZ2 LYS A 49 -17.305 -2.533 5.495 1.00 73.42 H new ATOM 0 HZ3 LYS A 49 -17.129 -0.928 4.968 1.00 73.42 H new ATOM 767 N LYS A 50 -10.953 -4.315 8.011 1.00 30.33 N ATOM 768 CA LYS A 50 -10.525 -4.737 9.340 1.00 41.52 C ATOM 769 C LYS A 50 -10.090 -6.198 9.333 1.00 23.52 C ATOM 770 O LYS A 50 -8.904 -6.503 9.463 1.00 31.51 O ATOM 771 CB LYS A 50 -11.656 -4.535 10.351 1.00 51.34 C ATOM 772 CG LYS A 50 -11.368 -3.455 11.379 1.00 45.31 C ATOM 773 CD LYS A 50 -12.617 -3.077 12.157 1.00 70.23 C ATOM 774 CE LYS A 50 -12.411 -1.800 12.957 1.00 23.42 C ATOM 775 NZ LYS A 50 -13.692 -1.078 13.188 1.00 1.53 N ATOM 0 H LYS A 50 -10.878 -5.038 7.295 1.00 30.33 H new ATOM 0 HA LYS A 50 -9.672 -4.124 9.631 1.00 41.52 H new ATOM 0 HB2 LYS A 50 -12.570 -4.280 9.815 1.00 51.34 H new ATOM 0 HB3 LYS A 50 -11.842 -5.476 10.868 1.00 51.34 H new ATOM 0 HG2 LYS A 50 -10.600 -3.804 12.069 1.00 45.31 H new ATOM 0 HG3 LYS A 50 -10.969 -2.573 10.879 1.00 45.31 H new ATOM 0 HD2 LYS A 50 -13.450 -2.945 11.467 1.00 70.23 H new ATOM 0 HD3 LYS A 50 -12.887 -3.890 12.831 1.00 70.23 H new ATOM 0 HE2 LYS A 50 -11.953 -2.042 13.916 1.00 23.42 H new ATOM 0 HE3 LYS A 50 -11.717 -1.148 12.427 1.00 23.42 H new ATOM 0 HZ1 LYS A 50 -13.509 -0.213 13.736 1.00 1.53 H new ATOM 0 HZ2 LYS A 50 -14.117 -0.824 12.273 1.00 1.53 H new ATOM 0 HZ3 LYS A 50 -14.346 -1.691 13.716 1.00 1.53 H new ATOM 789 N ARG A 51 -11.056 -7.098 9.180 1.00 61.04 N ATOM 790 CA ARG A 51 -10.772 -8.528 9.156 1.00 42.24 C ATOM 791 C ARG A 51 -10.544 -9.013 7.727 1.00 43.11 C ATOM 792 O ARG A 51 -11.030 -10.074 7.334 1.00 22.14 O ATOM 793 CB ARG A 51 -11.922 -9.309 9.793 1.00 14.21 C ATOM 794 CG ARG A 51 -11.491 -10.623 10.423 1.00 1.14 C ATOM 795 CD ARG A 51 -11.316 -10.488 11.928 1.00 60.21 C ATOM 796 NE ARG A 51 -9.957 -10.814 12.352 1.00 10.13 N ATOM 797 CZ ARG A 51 -9.516 -12.056 12.516 1.00 32.30 C ATOM 798 NH1 ARG A 51 -10.323 -13.084 12.292 1.00 63.43 N ATOM 799 NH2 ARG A 51 -8.266 -12.272 12.904 1.00 22.04 N ATOM 0 H ARG A 51 -12.042 -6.862 9.071 1.00 61.04 H new ATOM 0 HA ARG A 51 -9.862 -8.702 9.730 1.00 42.24 H new ATOM 0 HB2 ARG A 51 -12.393 -8.688 10.555 1.00 14.21 H new ATOM 0 HB3 ARG A 51 -12.678 -9.511 9.034 1.00 14.21 H new ATOM 0 HG2 ARG A 51 -12.234 -11.391 10.209 1.00 1.14 H new ATOM 0 HG3 ARG A 51 -10.554 -10.953 9.975 1.00 1.14 H new ATOM 0 HD2 ARG A 51 -11.556 -9.469 12.231 1.00 60.21 H new ATOM 0 HD3 ARG A 51 -12.022 -11.146 12.436 1.00 60.21 H new ATOM 0 HE ARG A 51 -9.311 -10.045 12.532 1.00 10.13 H new ATOM 0 HH11 ARG A 51 -11.285 -12.922 11.993 1.00 63.43 H new ATOM 0 HH12 ARG A 51 -9.982 -14.037 12.419 1.00 63.43 H new ATOM 0 HH21 ARG A 51 -7.642 -11.484 13.077 1.00 22.04 H new ATOM 0 HH22 ARG A 51 -7.929 -13.226 13.030 1.00 22.04 H new ATOM 813 N THR A 52 -9.801 -8.228 6.952 1.00 30.03 N ATOM 814 CA THR A 52 -9.510 -8.576 5.567 1.00 2.23 C ATOM 815 C THR A 52 -8.080 -9.084 5.417 1.00 54.41 C ATOM 816 O THR A 52 -7.122 -8.345 5.643 1.00 51.23 O ATOM 817 CB THR A 52 -9.716 -7.371 4.630 1.00 2.22 C ATOM 818 OG1 THR A 52 -10.548 -6.393 5.265 1.00 70.43 O ATOM 819 CG2 THR A 52 -10.349 -7.808 3.318 1.00 44.13 C ATOM 0 H THR A 52 -9.390 -7.347 7.261 1.00 30.03 H new ATOM 0 HA THR A 52 -10.205 -9.367 5.287 1.00 2.23 H new ATOM 0 HB THR A 52 -8.741 -6.934 4.417 1.00 2.22 H new ATOM 0 HG1 THR A 52 -10.933 -5.800 4.586 1.00 70.43 H new ATOM 0 HG21 THR A 52 -10.485 -6.940 2.673 1.00 44.13 H new ATOM 0 HG22 THR A 52 -9.699 -8.530 2.823 1.00 44.13 H new ATOM 0 HG23 THR A 52 -11.317 -8.268 3.516 1.00 44.13 H new ATOM 827 N SER A 53 -7.944 -10.349 5.033 1.00 10.03 N ATOM 828 CA SER A 53 -6.630 -10.957 4.856 1.00 54.54 C ATOM 829 C SER A 53 -5.983 -10.481 3.558 1.00 31.24 C ATOM 830 O SER A 53 -6.568 -9.697 2.810 1.00 71.44 O ATOM 831 CB SER A 53 -6.747 -12.482 4.852 1.00 41.14 C ATOM 832 OG SER A 53 -7.950 -12.900 4.230 1.00 43.14 O ATOM 0 H SER A 53 -8.727 -10.973 4.838 1.00 10.03 H new ATOM 0 HA SER A 53 -5.999 -10.651 5.690 1.00 54.54 H new ATOM 0 HB2 SER A 53 -5.894 -12.914 4.328 1.00 41.14 H new ATOM 0 HB3 SER A 53 -6.715 -12.855 5.876 1.00 41.14 H new ATOM 0 HG SER A 53 -8.000 -13.879 4.239 1.00 43.14 H new ATOM 838 N LEU A 54 -4.772 -10.961 3.299 1.00 42.12 N ATOM 839 CA LEU A 54 -4.043 -10.586 2.092 1.00 21.01 C ATOM 840 C LEU A 54 -4.892 -10.823 0.847 1.00 10.23 C ATOM 841 O LEU A 54 -4.744 -10.129 -0.158 1.00 61.23 O ATOM 842 CB LEU A 54 -2.739 -11.380 1.993 1.00 72.24 C ATOM 843 CG LEU A 54 -1.831 -11.035 0.812 1.00 52.51 C ATOM 844 CD1 LEU A 54 -1.606 -9.533 0.733 1.00 11.54 C ATOM 845 CD2 LEU A 54 -0.504 -11.769 0.927 1.00 24.32 C ATOM 0 H LEU A 54 -4.274 -11.610 3.908 1.00 42.12 H new ATOM 0 HA LEU A 54 -3.810 -9.523 2.153 1.00 21.01 H new ATOM 0 HB2 LEU A 54 -2.176 -11.231 2.914 1.00 72.24 H new ATOM 0 HB3 LEU A 54 -2.986 -12.440 1.938 1.00 72.24 H new ATOM 0 HG LEU A 54 -2.323 -11.357 -0.106 1.00 52.51 H new ATOM 0 HD11 LEU A 54 -0.958 -9.306 -0.113 1.00 11.54 H new ATOM 0 HD12 LEU A 54 -2.563 -9.028 0.602 1.00 11.54 H new ATOM 0 HD13 LEU A 54 -1.136 -9.187 1.653 1.00 11.54 H new ATOM 0 HD21 LEU A 54 0.129 -11.511 0.078 1.00 24.32 H new ATOM 0 HD22 LEU A 54 -0.006 -11.478 1.852 1.00 24.32 H new ATOM 0 HD23 LEU A 54 -0.682 -12.844 0.933 1.00 24.32 H new ATOM 857 N ALA A 55 -5.783 -11.806 0.924 1.00 53.35 N ATOM 858 CA ALA A 55 -6.659 -12.131 -0.195 1.00 53.02 C ATOM 859 C ALA A 55 -7.408 -10.896 -0.683 1.00 52.43 C ATOM 860 O ALA A 55 -7.696 -10.762 -1.872 1.00 13.42 O ATOM 861 CB ALA A 55 -7.641 -13.223 0.203 1.00 13.35 C ATOM 0 H ALA A 55 -5.917 -12.391 1.749 1.00 53.35 H new ATOM 0 HA ALA A 55 -6.040 -12.495 -1.015 1.00 53.02 H new ATOM 0 HB1 ALA A 55 -8.289 -13.455 -0.642 1.00 13.35 H new ATOM 0 HB2 ALA A 55 -7.091 -14.118 0.496 1.00 13.35 H new ATOM 0 HB3 ALA A 55 -8.247 -12.879 1.041 1.00 13.35 H new ATOM 867 N GLY A 56 -7.722 -9.995 0.243 1.00 42.41 N ATOM 868 CA GLY A 56 -8.436 -8.782 -0.113 1.00 65.21 C ATOM 869 C GLY A 56 -7.584 -7.825 -0.923 1.00 52.13 C ATOM 870 O GLY A 56 -8.043 -7.267 -1.919 1.00 51.23 O ATOM 0 H GLY A 56 -7.495 -10.083 1.233 1.00 42.41 H new ATOM 0 HA2 GLY A 56 -9.327 -9.043 -0.684 1.00 65.21 H new ATOM 0 HA3 GLY A 56 -8.774 -8.283 0.795 1.00 65.21 H new ATOM 874 N MET A 57 -6.341 -7.633 -0.494 1.00 61.25 N ATOM 875 CA MET A 57 -5.424 -6.736 -1.188 1.00 2.15 C ATOM 876 C MET A 57 -4.960 -7.345 -2.507 1.00 31.22 C ATOM 877 O MET A 57 -4.983 -6.688 -3.548 1.00 71.50 O ATOM 878 CB MET A 57 -4.215 -6.425 -0.303 1.00 42.00 C ATOM 879 CG MET A 57 -4.575 -5.712 0.990 1.00 32.12 C ATOM 880 SD MET A 57 -4.435 -3.919 0.858 1.00 63.44 S ATOM 881 CE MET A 57 -5.868 -3.541 -0.148 1.00 43.10 C ATOM 0 H MET A 57 -5.946 -8.086 0.330 1.00 61.25 H new ATOM 0 HA MET A 57 -5.956 -5.809 -1.404 1.00 2.15 H new ATOM 0 HB2 MET A 57 -3.701 -7.356 -0.064 1.00 42.00 H new ATOM 0 HB3 MET A 57 -3.513 -5.809 -0.865 1.00 42.00 H new ATOM 0 HG2 MET A 57 -5.595 -5.973 1.272 1.00 32.12 H new ATOM 0 HG3 MET A 57 -3.923 -6.065 1.789 1.00 32.12 H new ATOM 0 HE1 MET A 57 -5.543 -3.189 -1.127 1.00 43.10 H new ATOM 0 HE2 MET A 57 -6.475 -4.438 -0.268 1.00 43.10 H new ATOM 0 HE3 MET A 57 -6.459 -2.765 0.338 1.00 43.10 H new ATOM 891 N LYS A 58 -4.539 -8.604 -2.456 1.00 60.42 N ATOM 892 CA LYS A 58 -4.070 -9.303 -3.647 1.00 34.42 C ATOM 893 C LYS A 58 -5.124 -9.266 -4.749 1.00 62.54 C ATOM 894 O LYS A 58 -4.795 -9.233 -5.935 1.00 54.35 O ATOM 895 CB LYS A 58 -3.723 -10.755 -3.308 1.00 4.44 C ATOM 896 CG LYS A 58 -2.500 -11.275 -4.044 1.00 31.13 C ATOM 897 CD LYS A 58 -1.441 -11.780 -3.078 1.00 42.42 C ATOM 898 CE LYS A 58 -1.963 -12.928 -2.228 1.00 10.51 C ATOM 899 NZ LYS A 58 -2.451 -14.059 -3.063 1.00 72.45 N ATOM 0 H LYS A 58 -4.513 -9.162 -1.602 1.00 60.42 H new ATOM 0 HA LYS A 58 -3.175 -8.796 -4.007 1.00 34.42 H new ATOM 0 HB2 LYS A 58 -3.554 -10.838 -2.234 1.00 4.44 H new ATOM 0 HB3 LYS A 58 -4.577 -11.389 -3.546 1.00 4.44 H new ATOM 0 HG2 LYS A 58 -2.794 -12.081 -4.717 1.00 31.13 H new ATOM 0 HG3 LYS A 58 -2.081 -10.481 -4.662 1.00 31.13 H new ATOM 0 HD2 LYS A 58 -0.565 -12.109 -3.637 1.00 42.42 H new ATOM 0 HD3 LYS A 58 -1.119 -10.964 -2.431 1.00 42.42 H new ATOM 0 HE2 LYS A 58 -1.171 -13.280 -1.567 1.00 10.51 H new ATOM 0 HE3 LYS A 58 -2.773 -12.570 -1.592 1.00 10.51 H new ATOM 0 HZ1 LYS A 58 -2.607 -14.893 -2.461 1.00 72.45 H new ATOM 0 HZ2 LYS A 58 -3.345 -13.791 -3.522 1.00 72.45 H new ATOM 0 HZ3 LYS A 58 -1.743 -14.285 -3.790 1.00 72.45 H new ATOM 913 N LYS A 59 -6.391 -9.272 -4.351 1.00 13.43 N ATOM 914 CA LYS A 59 -7.494 -9.236 -5.304 1.00 41.21 C ATOM 915 C LYS A 59 -7.403 -8.001 -6.195 1.00 63.33 C ATOM 916 O LYS A 59 -7.791 -8.036 -7.364 1.00 20.52 O ATOM 917 CB LYS A 59 -8.834 -9.247 -4.566 1.00 13.13 C ATOM 918 CG LYS A 59 -9.714 -10.433 -4.920 1.00 31.31 C ATOM 919 CD LYS A 59 -10.549 -10.883 -3.732 1.00 42.25 C ATOM 920 CE LYS A 59 -10.722 -12.394 -3.713 1.00 55.33 C ATOM 921 NZ LYS A 59 -11.897 -12.807 -2.897 1.00 13.33 N ATOM 0 H LYS A 59 -6.680 -9.302 -3.373 1.00 13.43 H new ATOM 0 HA LYS A 59 -7.426 -10.123 -5.934 1.00 41.21 H new ATOM 0 HB2 LYS A 59 -8.648 -9.251 -3.492 1.00 13.13 H new ATOM 0 HB3 LYS A 59 -9.371 -8.326 -4.792 1.00 13.13 H new ATOM 0 HG2 LYS A 59 -10.371 -10.165 -5.747 1.00 31.31 H new ATOM 0 HG3 LYS A 59 -9.091 -11.260 -5.262 1.00 31.31 H new ATOM 0 HD2 LYS A 59 -10.072 -10.559 -2.807 1.00 42.25 H new ATOM 0 HD3 LYS A 59 -11.527 -10.404 -3.771 1.00 42.25 H new ATOM 0 HE2 LYS A 59 -10.842 -12.759 -4.733 1.00 55.33 H new ATOM 0 HE3 LYS A 59 -9.821 -12.858 -3.313 1.00 55.33 H new ATOM 0 HZ1 LYS A 59 -11.981 -13.844 -2.909 1.00 13.33 H new ATOM 0 HZ2 LYS A 59 -11.771 -12.481 -1.917 1.00 13.33 H new ATOM 0 HZ3 LYS A 59 -12.761 -12.385 -3.294 1.00 13.33 H new ATOM 935 N LEU A 60 -6.886 -6.912 -5.638 1.00 14.33 N ATOM 936 CA LEU A 60 -6.743 -5.666 -6.383 1.00 4.22 C ATOM 937 C LEU A 60 -5.486 -5.690 -7.247 1.00 3.14 C ATOM 938 O LEU A 60 -5.486 -5.194 -8.374 1.00 20.40 O ATOM 939 CB LEU A 60 -6.692 -4.477 -5.422 1.00 10.22 C ATOM 940 CG LEU A 60 -8.030 -4.036 -4.828 1.00 35.41 C ATOM 941 CD1 LEU A 60 -8.442 -4.963 -3.694 1.00 52.14 C ATOM 942 CD2 LEU A 60 -7.950 -2.597 -4.340 1.00 61.22 C ATOM 0 H LEU A 60 -6.559 -6.866 -4.673 1.00 14.33 H new ATOM 0 HA LEU A 60 -7.609 -5.560 -7.036 1.00 4.22 H new ATOM 0 HB2 LEU A 60 -6.018 -4.727 -4.602 1.00 10.22 H new ATOM 0 HB3 LEU A 60 -6.254 -3.629 -5.948 1.00 10.22 H new ATOM 0 HG LEU A 60 -8.788 -4.091 -5.610 1.00 35.41 H new ATOM 0 HD11 LEU A 60 -9.396 -4.634 -3.283 1.00 52.14 H new ATOM 0 HD12 LEU A 60 -8.542 -5.980 -4.073 1.00 52.14 H new ATOM 0 HD13 LEU A 60 -7.683 -4.940 -2.912 1.00 52.14 H new ATOM 0 HD21 LEU A 60 -8.912 -2.301 -3.921 1.00 61.22 H new ATOM 0 HD22 LEU A 60 -7.179 -2.515 -3.574 1.00 61.22 H new ATOM 0 HD23 LEU A 60 -7.702 -1.943 -5.176 1.00 61.22 H new ATOM 954 N ILE A 61 -4.417 -6.271 -6.711 1.00 52.43 N ATOM 955 CA ILE A 61 -3.155 -6.362 -7.435 1.00 31.03 C ATOM 956 C ILE A 61 -2.528 -7.743 -7.274 1.00 11.31 C ATOM 957 O ILE A 61 -1.575 -7.935 -6.519 1.00 45.21 O ATOM 958 CB ILE A 61 -2.152 -5.296 -6.954 1.00 75.25 C ATOM 959 CG1 ILE A 61 -2.749 -3.896 -7.112 1.00 1.03 C ATOM 960 CG2 ILE A 61 -0.847 -5.411 -7.727 1.00 23.44 C ATOM 961 CD1 ILE A 61 -3.309 -3.330 -5.826 1.00 11.13 C ATOM 0 H ILE A 61 -4.400 -6.685 -5.779 1.00 52.43 H new ATOM 0 HA ILE A 61 -3.381 -6.188 -8.487 1.00 31.03 H new ATOM 0 HB ILE A 61 -1.942 -5.465 -5.898 1.00 75.25 H new ATOM 0 HG12 ILE A 61 -1.980 -3.223 -7.492 1.00 1.03 H new ATOM 0 HG13 ILE A 61 -3.541 -3.930 -7.860 1.00 1.03 H new ATOM 0 HG21 ILE A 61 -0.148 -4.652 -7.376 1.00 23.44 H new ATOM 0 HG22 ILE A 61 -0.417 -6.400 -7.570 1.00 23.44 H new ATOM 0 HG23 ILE A 61 -1.039 -5.264 -8.790 1.00 23.44 H new ATOM 0 HD11 ILE A 61 -3.715 -2.336 -6.013 1.00 11.13 H new ATOM 0 HD12 ILE A 61 -4.100 -3.982 -5.456 1.00 11.13 H new ATOM 0 HD13 ILE A 61 -2.515 -3.264 -5.082 1.00 11.13 H new ATOM 973 N PRO A 62 -3.074 -8.729 -8.001 1.00 42.22 N ATOM 974 CA PRO A 62 -2.582 -10.109 -7.958 1.00 74.24 C ATOM 975 C PRO A 62 -1.211 -10.257 -8.608 1.00 4.51 C ATOM 976 O PRO A 62 -1.090 -10.266 -9.832 1.00 54.22 O ATOM 977 CB PRO A 62 -3.636 -10.886 -8.752 1.00 50.42 C ATOM 978 CG PRO A 62 -4.240 -9.877 -9.668 1.00 24.22 C ATOM 979 CD PRO A 62 -4.212 -8.572 -8.922 1.00 13.21 C ATOM 0 HA PRO A 62 -2.451 -10.463 -6.935 1.00 74.24 H new ATOM 0 HB2 PRO A 62 -3.186 -11.707 -9.309 1.00 50.42 H new ATOM 0 HB3 PRO A 62 -4.387 -11.322 -8.093 1.00 50.42 H new ATOM 0 HG2 PRO A 62 -3.676 -9.807 -10.598 1.00 24.22 H new ATOM 0 HG3 PRO A 62 -5.260 -10.153 -9.934 1.00 24.22 H new ATOM 0 HD2 PRO A 62 -4.070 -7.727 -9.596 1.00 13.21 H new ATOM 0 HD3 PRO A 62 -5.143 -8.397 -8.384 1.00 13.21 H new ATOM 987 N GLY A 63 -0.177 -10.372 -7.779 1.00 35.12 N ATOM 988 CA GLY A 63 1.172 -10.518 -8.291 1.00 43.24 C ATOM 989 C GLY A 63 2.117 -9.467 -7.743 1.00 43.02 C ATOM 990 O GLY A 63 2.799 -8.779 -8.502 1.00 54.33 O ATOM 0 H GLY A 63 -0.251 -10.367 -6.762 1.00 35.12 H new ATOM 0 HA2 GLY A 63 1.549 -11.509 -8.037 1.00 43.24 H new ATOM 0 HA3 GLY A 63 1.153 -10.454 -9.379 1.00 43.24 H new ATOM 994 N ALA A 64 2.157 -9.342 -6.421 1.00 5.23 N ATOM 995 CA ALA A 64 3.026 -8.368 -5.772 1.00 1.34 C ATOM 996 C ALA A 64 3.500 -8.874 -4.414 1.00 2.15 C ATOM 997 O ALA A 64 3.069 -9.930 -3.948 1.00 44.43 O ATOM 998 CB ALA A 64 2.305 -7.037 -5.619 1.00 11.24 C ATOM 0 H ALA A 64 1.598 -9.903 -5.778 1.00 5.23 H new ATOM 0 HA ALA A 64 3.903 -8.223 -6.403 1.00 1.34 H new ATOM 0 HB1 ALA A 64 2.966 -6.319 -5.133 1.00 11.24 H new ATOM 0 HB2 ALA A 64 2.022 -6.661 -6.602 1.00 11.24 H new ATOM 0 HB3 ALA A 64 1.410 -7.176 -5.012 1.00 11.24 H new ATOM 1004 N HIS A 65 4.390 -8.115 -3.782 1.00 1.11 N ATOM 1005 CA HIS A 65 4.923 -8.487 -2.476 1.00 72.21 C ATOM 1006 C HIS A 65 4.233 -7.703 -1.364 1.00 73.11 C ATOM 1007 O HIS A 65 4.412 -6.491 -1.242 1.00 33.11 O ATOM 1008 CB HIS A 65 6.431 -8.242 -2.428 1.00 62.15 C ATOM 1009 CG HIS A 65 7.132 -9.025 -1.361 1.00 71.12 C ATOM 1010 ND1 HIS A 65 7.923 -10.122 -1.629 1.00 61.14 N ATOM 1011 CD2 HIS A 65 7.158 -8.864 -0.018 1.00 3.54 C ATOM 1012 CE1 HIS A 65 8.404 -10.602 -0.497 1.00 25.52 C ATOM 1013 NE2 HIS A 65 7.956 -9.856 0.496 1.00 33.34 N ATOM 0 H HIS A 65 4.757 -7.239 -4.153 1.00 1.11 H new ATOM 0 HA HIS A 65 4.730 -9.549 -2.322 1.00 72.21 H new ATOM 0 HB2 HIS A 65 6.863 -8.496 -3.396 1.00 62.15 H new ATOM 0 HB3 HIS A 65 6.613 -7.180 -2.266 1.00 62.15 H new ATOM 0 HD2 HIS A 65 6.646 -8.098 0.545 1.00 3.54 H new ATOM 0 HE1 HIS A 65 9.054 -11.459 -0.400 1.00 25.52 H new ATOM 0 HE2 HIS A 65 8.168 -9.994 1.484 1.00 33.34 H new ATOM 1021 N PHE A 66 3.443 -8.402 -0.556 1.00 32.40 N ATOM 1022 CA PHE A 66 2.724 -7.771 0.545 1.00 62.31 C ATOM 1023 C PHE A 66 3.291 -8.215 1.890 1.00 24.31 C ATOM 1024 O PHE A 66 3.931 -9.262 1.990 1.00 2.41 O ATOM 1025 CB PHE A 66 1.234 -8.110 0.470 1.00 20.41 C ATOM 1026 CG PHE A 66 0.430 -7.111 -0.312 1.00 64.11 C ATOM 1027 CD1 PHE A 66 0.445 -7.123 -1.697 1.00 74.05 C ATOM 1028 CD2 PHE A 66 -0.339 -6.160 0.338 1.00 3.42 C ATOM 1029 CE1 PHE A 66 -0.294 -6.205 -2.420 1.00 70.24 C ATOM 1030 CE2 PHE A 66 -1.080 -5.240 -0.379 1.00 44.43 C ATOM 1031 CZ PHE A 66 -1.056 -5.262 -1.760 1.00 53.52 C ATOM 0 H PHE A 66 3.284 -9.406 -0.643 1.00 32.40 H new ATOM 0 HA PHE A 66 2.849 -6.692 0.456 1.00 62.31 H new ATOM 0 HB2 PHE A 66 1.116 -9.094 0.016 1.00 20.41 H new ATOM 0 HB3 PHE A 66 0.833 -8.175 1.482 1.00 20.41 H new ATOM 0 HD1 PHE A 66 1.041 -7.858 -2.218 1.00 74.05 H new ATOM 0 HD2 PHE A 66 -0.360 -6.137 1.418 1.00 3.42 H new ATOM 0 HE1 PHE A 66 -0.275 -6.226 -3.500 1.00 70.24 H new ATOM 0 HE2 PHE A 66 -1.677 -4.505 0.140 1.00 44.43 H new ATOM 0 HZ PHE A 66 -1.633 -4.543 -2.322 1.00 53.52 H new ATOM 1041 N GLU A 67 3.052 -7.411 2.921 1.00 32.11 N ATOM 1042 CA GLU A 67 3.540 -7.720 4.260 1.00 60.41 C ATOM 1043 C GLU A 67 2.698 -7.019 5.322 1.00 74.43 C ATOM 1044 O GLU A 67 2.673 -5.791 5.400 1.00 55.12 O ATOM 1045 CB GLU A 67 5.006 -7.306 4.401 1.00 41.34 C ATOM 1046 CG GLU A 67 5.961 -8.480 4.536 1.00 74.23 C ATOM 1047 CD GLU A 67 6.310 -8.785 5.980 1.00 74.25 C ATOM 1048 OE1 GLU A 67 5.384 -9.078 6.765 1.00 3.42 O ATOM 1049 OE2 GLU A 67 7.509 -8.731 6.323 1.00 22.43 O ATOM 0 H GLU A 67 2.524 -6.541 2.855 1.00 32.11 H new ATOM 0 HA GLU A 67 3.458 -8.797 4.409 1.00 60.41 H new ATOM 0 HB2 GLU A 67 5.292 -6.714 3.532 1.00 41.34 H new ATOM 0 HB3 GLU A 67 5.110 -6.662 5.274 1.00 41.34 H new ATOM 0 HG2 GLU A 67 5.512 -9.363 4.080 1.00 74.23 H new ATOM 0 HG3 GLU A 67 6.875 -8.265 3.983 1.00 74.23 H new ATOM 1056 N LYS A 68 2.008 -7.809 6.138 1.00 73.24 N ATOM 1057 CA LYS A 68 1.164 -7.267 7.196 1.00 40.01 C ATOM 1058 C LYS A 68 1.588 -7.805 8.559 1.00 74.11 C ATOM 1059 O LYS A 68 2.653 -8.407 8.695 1.00 34.42 O ATOM 1060 CB LYS A 68 -0.304 -7.612 6.933 1.00 3.34 C ATOM 1061 CG LYS A 68 -1.276 -6.566 7.451 1.00 32.22 C ATOM 1062 CD LYS A 68 -2.414 -7.201 8.233 1.00 70.44 C ATOM 1063 CE LYS A 68 -3.525 -6.201 8.513 1.00 45.40 C ATOM 1064 NZ LYS A 68 -3.922 -6.201 9.948 1.00 75.20 N ATOM 0 H LYS A 68 2.017 -8.828 6.087 1.00 73.24 H new ATOM 0 HA LYS A 68 1.281 -6.183 7.201 1.00 40.01 H new ATOM 0 HB2 LYS A 68 -0.453 -7.735 5.860 1.00 3.34 H new ATOM 0 HB3 LYS A 68 -0.532 -8.571 7.399 1.00 3.34 H new ATOM 0 HG2 LYS A 68 -0.745 -5.859 8.089 1.00 32.22 H new ATOM 0 HG3 LYS A 68 -1.681 -5.998 6.614 1.00 32.22 H new ATOM 0 HD2 LYS A 68 -2.816 -8.045 7.672 1.00 70.44 H new ATOM 0 HD3 LYS A 68 -2.033 -7.596 9.175 1.00 70.44 H new ATOM 0 HE2 LYS A 68 -3.195 -5.202 8.227 1.00 45.40 H new ATOM 0 HE3 LYS A 68 -4.392 -6.439 7.896 1.00 45.40 H new ATOM 0 HZ1 LYS A 68 -4.336 -5.279 10.194 1.00 75.20 H new ATOM 0 HZ2 LYS A 68 -4.623 -6.951 10.114 1.00 75.20 H new ATOM 0 HZ3 LYS A 68 -3.084 -6.373 10.540 1.00 75.20 H new ATOM 1078 N ARG A 69 0.747 -7.585 9.564 1.00 33.13 N ATOM 1079 CA ARG A 69 1.034 -8.049 10.916 1.00 4.43 C ATOM 1080 C ARG A 69 2.111 -7.186 11.569 1.00 31.20 C ATOM 1081 O ARG A 69 1.876 -6.559 12.602 1.00 53.43 O ATOM 1082 CB ARG A 69 1.482 -9.511 10.892 1.00 24.15 C ATOM 1083 CG ARG A 69 0.812 -10.371 11.951 1.00 13.13 C ATOM 1084 CD ARG A 69 1.433 -11.757 12.019 1.00 60.21 C ATOM 1085 NE ARG A 69 1.453 -12.282 13.381 1.00 34.35 N ATOM 1086 CZ ARG A 69 1.929 -13.481 13.700 1.00 15.24 C ATOM 1087 NH1 ARG A 69 2.422 -14.274 12.759 1.00 10.33 N ATOM 1088 NH2 ARG A 69 1.912 -13.888 14.963 1.00 31.12 N ATOM 0 H ARG A 69 -0.139 -7.088 9.468 1.00 33.13 H new ATOM 0 HA ARG A 69 0.120 -7.966 11.504 1.00 4.43 H new ATOM 0 HB2 ARG A 69 1.271 -9.931 9.908 1.00 24.15 H new ATOM 0 HB3 ARG A 69 2.562 -9.553 11.032 1.00 24.15 H new ATOM 0 HG2 ARG A 69 0.897 -9.885 12.923 1.00 13.13 H new ATOM 0 HG3 ARG A 69 -0.252 -10.458 11.730 1.00 13.13 H new ATOM 0 HD2 ARG A 69 0.873 -12.437 11.377 1.00 60.21 H new ATOM 0 HD3 ARG A 69 2.451 -11.718 11.631 1.00 60.21 H new ATOM 0 HE ARG A 69 1.081 -11.696 14.129 1.00 34.35 H new ATOM 0 HH11 ARG A 69 2.437 -13.964 11.787 1.00 10.33 H new ATOM 0 HH12 ARG A 69 2.787 -15.194 13.007 1.00 10.33 H new ATOM 0 HH21 ARG A 69 1.533 -13.280 15.690 1.00 31.12 H new ATOM 0 HH22 ARG A 69 2.277 -14.808 15.207 1.00 31.12 H new ATOM 1102 N ARG A 70 3.292 -7.161 10.960 1.00 73.23 N ATOM 1103 CA ARG A 70 4.405 -6.378 11.482 1.00 14.25 C ATOM 1104 C ARG A 70 5.347 -5.955 10.359 1.00 30.22 C ATOM 1105 O ARG A 70 6.567 -5.989 10.513 1.00 1.41 O ATOM 1106 CB ARG A 70 5.174 -7.182 12.532 1.00 34.12 C ATOM 1107 CG ARG A 70 4.550 -7.129 13.917 1.00 31.13 C ATOM 1108 CD ARG A 70 4.589 -5.722 14.493 1.00 65.04 C ATOM 1109 NE ARG A 70 5.289 -5.674 15.773 1.00 5.15 N ATOM 1110 CZ ARG A 70 5.138 -4.694 16.657 1.00 5.31 C ATOM 1111 NH1 ARG A 70 4.316 -3.686 16.400 1.00 3.21 N ATOM 1112 NH2 ARG A 70 5.810 -4.721 17.801 1.00 3.30 N ATOM 0 H ARG A 70 3.503 -7.674 10.104 1.00 73.23 H new ATOM 0 HA ARG A 70 3.998 -5.481 11.948 1.00 14.25 H new ATOM 0 HB2 ARG A 70 5.234 -8.221 12.209 1.00 34.12 H new ATOM 0 HB3 ARG A 70 6.196 -6.806 12.588 1.00 34.12 H new ATOM 0 HG2 ARG A 70 3.517 -7.473 13.865 1.00 31.13 H new ATOM 0 HG3 ARG A 70 5.080 -7.810 14.582 1.00 31.13 H new ATOM 0 HD2 ARG A 70 5.081 -5.054 13.786 1.00 65.04 H new ATOM 0 HD3 ARG A 70 3.571 -5.355 14.623 1.00 65.04 H new ATOM 0 HE ARG A 70 5.929 -6.435 16.001 1.00 5.15 H new ATOM 0 HH11 ARG A 70 3.798 -3.662 15.522 1.00 3.21 H new ATOM 0 HH12 ARG A 70 4.202 -2.935 17.080 1.00 3.21 H new ATOM 0 HH21 ARG A 70 6.443 -5.495 18.002 1.00 3.30 H new ATOM 0 HH22 ARG A 70 5.693 -3.968 18.479 1.00 3.30 H new ATOM 1126 N GLY A 71 4.771 -5.558 9.228 1.00 22.23 N ATOM 1127 CA GLY A 71 5.574 -5.136 8.096 1.00 41.34 C ATOM 1128 C GLY A 71 6.450 -3.941 8.419 1.00 73.30 C ATOM 1129 O GLY A 71 7.671 -3.997 8.267 1.00 55.34 O ATOM 0 H GLY A 71 3.763 -5.521 9.076 1.00 22.23 H new ATOM 0 HA2 GLY A 71 6.202 -5.965 7.771 1.00 41.34 H new ATOM 0 HA3 GLY A 71 4.918 -4.887 7.262 1.00 41.34 H new ATOM 1133 N THR A 72 5.826 -2.856 8.866 1.00 52.43 N ATOM 1134 CA THR A 72 6.555 -1.641 9.209 1.00 65.55 C ATOM 1135 C THR A 72 5.762 -0.780 10.184 1.00 31.12 C ATOM 1136 O THR A 72 5.993 0.424 10.292 1.00 31.20 O ATOM 1137 CB THR A 72 6.881 -0.809 7.954 1.00 5.13 C ATOM 1138 OG1 THR A 72 6.392 -1.473 6.784 1.00 35.32 O ATOM 1139 CG2 THR A 72 8.381 -0.587 7.827 1.00 50.30 C ATOM 0 H THR A 72 4.817 -2.794 8.999 1.00 52.43 H new ATOM 0 HA THR A 72 7.486 -1.954 9.681 1.00 65.55 H new ATOM 0 HB THR A 72 6.392 0.160 8.051 1.00 5.13 H new ATOM 0 HG1 THR A 72 6.602 -0.936 5.991 1.00 35.32 H new ATOM 0 HG21 THR A 72 8.587 0.003 6.934 1.00 50.30 H new ATOM 0 HG22 THR A 72 8.746 -0.055 8.705 1.00 50.30 H new ATOM 0 HG23 THR A 72 8.886 -1.550 7.751 1.00 50.30 H new ATOM 1147 N GLN A 73 4.827 -1.405 10.893 1.00 41.11 N ATOM 1148 CA GLN A 73 4.000 -0.694 11.860 1.00 15.21 C ATOM 1149 C GLN A 73 3.403 0.567 11.243 1.00 5.45 C ATOM 1150 O GLN A 73 3.437 0.752 10.028 1.00 64.34 O ATOM 1151 CB GLN A 73 4.822 -0.331 13.098 1.00 41.13 C ATOM 1152 CG GLN A 73 5.677 -1.475 13.617 1.00 62.51 C ATOM 1153 CD GLN A 73 6.185 -1.233 15.025 1.00 52.14 C ATOM 1154 OE1 GLN A 73 5.533 -0.561 15.825 1.00 70.13 O ATOM 1155 NE2 GLN A 73 7.354 -1.780 15.335 1.00 2.01 N ATOM 0 H GLN A 73 4.624 -2.402 10.816 1.00 41.11 H new ATOM 0 HA GLN A 73 3.184 -1.353 12.156 1.00 15.21 H new ATOM 0 HB2 GLN A 73 5.467 0.515 12.860 1.00 41.13 H new ATOM 0 HB3 GLN A 73 4.147 -0.005 13.889 1.00 41.13 H new ATOM 0 HG2 GLN A 73 5.094 -2.396 13.599 1.00 62.51 H new ATOM 0 HG3 GLN A 73 6.526 -1.621 12.949 1.00 62.51 H new ATOM 0 HE21 GLN A 73 7.860 -2.329 14.640 1.00 2.01 H new ATOM 0 HE22 GLN A 73 7.746 -1.651 16.268 1.00 2.01 H new ATOM 1164 N GLY A 74 2.857 1.434 12.091 1.00 31.44 N ATOM 1165 CA GLY A 74 2.261 2.666 11.611 1.00 55.31 C ATOM 1166 C GLY A 74 3.299 3.709 11.246 1.00 74.34 C ATOM 1167 O GLY A 74 2.958 4.797 10.783 1.00 70.35 O ATOM 0 H GLY A 74 2.817 1.304 13.102 1.00 31.44 H new ATOM 0 HA2 GLY A 74 1.644 2.451 10.739 1.00 55.31 H new ATOM 0 HA3 GLY A 74 1.600 3.069 12.378 1.00 55.31 H new ATOM 1171 N GLU A 75 4.568 3.376 11.456 1.00 45.31 N ATOM 1172 CA GLU A 75 5.659 4.294 11.147 1.00 12.15 C ATOM 1173 C GLU A 75 5.626 4.703 9.678 1.00 41.43 C ATOM 1174 O GLU A 75 6.101 5.778 9.311 1.00 21.30 O ATOM 1175 CB GLU A 75 7.007 3.650 11.479 1.00 75.21 C ATOM 1176 CG GLU A 75 7.873 4.491 12.402 1.00 74.33 C ATOM 1177 CD GLU A 75 9.119 3.758 12.860 1.00 15.25 C ATOM 1178 OE1 GLU A 75 9.654 2.949 12.075 1.00 25.33 O ATOM 1179 OE2 GLU A 75 9.558 3.995 14.005 1.00 15.35 O ATOM 0 H GLU A 75 4.867 2.479 11.838 1.00 45.31 H new ATOM 0 HA GLU A 75 5.532 5.188 11.758 1.00 12.15 H new ATOM 0 HB2 GLU A 75 6.832 2.680 11.943 1.00 75.21 H new ATOM 0 HB3 GLU A 75 7.550 3.466 10.552 1.00 75.21 H new ATOM 0 HG2 GLU A 75 8.163 5.407 11.887 1.00 74.33 H new ATOM 0 HG3 GLU A 75 7.289 4.786 13.273 1.00 74.33 H new ATOM 1186 N ALA A 76 5.062 3.838 8.841 1.00 4.21 N ATOM 1187 CA ALA A 76 4.966 4.109 7.412 1.00 1.32 C ATOM 1188 C ALA A 76 4.103 5.337 7.143 1.00 11.34 C ATOM 1189 O ALA A 76 4.129 5.899 6.048 1.00 64.51 O ATOM 1190 CB ALA A 76 4.406 2.898 6.682 1.00 70.23 C ATOM 0 H ALA A 76 4.665 2.944 9.128 1.00 4.21 H new ATOM 0 HA ALA A 76 5.969 4.313 7.038 1.00 1.32 H new ATOM 0 HB1 ALA A 76 4.340 3.114 5.616 1.00 70.23 H new ATOM 0 HB2 ALA A 76 5.063 2.043 6.838 1.00 70.23 H new ATOM 0 HB3 ALA A 76 3.413 2.668 7.068 1.00 70.23 H new ATOM 1196 N ARG A 77 3.338 5.749 8.149 1.00 21.13 N ATOM 1197 CA ARG A 77 2.465 6.910 8.020 1.00 23.41 C ATOM 1198 C ARG A 77 3.282 8.188 7.857 1.00 12.31 C ATOM 1199 O ARG A 77 2.773 9.205 7.386 1.00 5.21 O ATOM 1200 CB ARG A 77 1.553 7.027 9.242 1.00 31.34 C ATOM 1201 CG ARG A 77 0.490 8.105 9.108 1.00 73.43 C ATOM 1202 CD ARG A 77 -0.893 7.569 9.445 1.00 22.35 C ATOM 1203 NE ARG A 77 -1.954 8.452 8.970 1.00 44.44 N ATOM 1204 CZ ARG A 77 -3.197 8.427 9.438 1.00 45.03 C ATOM 1205 NH1 ARG A 77 -3.532 7.567 10.390 1.00 55.44 N ATOM 1206 NH2 ARG A 77 -4.106 9.263 8.954 1.00 52.21 N ATOM 0 H ARG A 77 3.305 5.296 9.062 1.00 21.13 H new ATOM 0 HA ARG A 77 1.851 6.775 7.129 1.00 23.41 H new ATOM 0 HB2 ARG A 77 1.065 6.067 9.414 1.00 31.34 H new ATOM 0 HB3 ARG A 77 2.163 7.237 10.121 1.00 31.34 H new ATOM 0 HG2 ARG A 77 0.730 8.938 9.769 1.00 73.43 H new ATOM 0 HG3 ARG A 77 0.492 8.495 8.090 1.00 73.43 H new ATOM 0 HD2 ARG A 77 -1.017 6.582 9.000 1.00 22.35 H new ATOM 0 HD3 ARG A 77 -0.981 7.446 10.524 1.00 22.35 H new ATOM 0 HE ARG A 77 -1.728 9.126 8.238 1.00 44.44 H new ATOM 0 HH11 ARG A 77 -2.835 6.923 10.764 1.00 55.44 H new ATOM 0 HH12 ARG A 77 -4.487 7.549 10.748 1.00 55.44 H new ATOM 0 HH21 ARG A 77 -3.851 9.926 8.222 1.00 52.21 H new ATOM 0 HH22 ARG A 77 -5.060 9.243 9.314 1.00 52.21 H new ATOM 1220 N ALA A 78 4.550 8.129 8.251 1.00 72.25 N ATOM 1221 CA ALA A 78 5.437 9.281 8.147 1.00 72.23 C ATOM 1222 C ALA A 78 6.549 9.028 7.135 1.00 62.22 C ATOM 1223 O ALA A 78 6.606 9.671 6.086 1.00 20.14 O ATOM 1224 CB ALA A 78 6.026 9.618 9.508 1.00 30.35 C ATOM 0 H ALA A 78 4.986 7.295 8.645 1.00 72.25 H new ATOM 0 HA ALA A 78 4.850 10.130 7.797 1.00 72.23 H new ATOM 0 HB1 ALA A 78 6.686 10.480 9.415 1.00 30.35 H new ATOM 0 HB2 ALA A 78 5.221 9.851 10.205 1.00 30.35 H new ATOM 0 HB3 ALA A 78 6.593 8.765 9.880 1.00 30.35 H new ATOM 1230 N TYR A 79 7.432 8.088 7.456 1.00 52.43 N ATOM 1231 CA TYR A 79 8.545 7.753 6.576 1.00 71.03 C ATOM 1232 C TYR A 79 8.043 7.336 5.197 1.00 52.44 C ATOM 1233 O TYR A 79 8.602 7.733 4.174 1.00 20.31 O ATOM 1234 CB TYR A 79 9.384 6.629 7.186 1.00 1.20 C ATOM 1235 CG TYR A 79 10.358 6.004 6.213 1.00 4.22 C ATOM 1236 CD1 TYR A 79 11.093 6.790 5.334 1.00 5.44 C ATOM 1237 CD2 TYR A 79 10.543 4.628 6.172 1.00 61.21 C ATOM 1238 CE1 TYR A 79 11.984 6.224 4.443 1.00 23.02 C ATOM 1239 CE2 TYR A 79 11.433 4.053 5.285 1.00 33.22 C ATOM 1240 CZ TYR A 79 12.151 4.855 4.423 1.00 73.12 C ATOM 1241 OH TYR A 79 13.037 4.286 3.537 1.00 32.21 O ATOM 0 H TYR A 79 7.398 7.545 8.319 1.00 52.43 H new ATOM 0 HA TYR A 79 9.166 8.642 6.463 1.00 71.03 H new ATOM 0 HB2 TYR A 79 9.937 7.022 8.039 1.00 1.20 H new ATOM 0 HB3 TYR A 79 8.717 5.855 7.567 1.00 1.20 H new ATOM 0 HD1 TYR A 79 10.965 7.862 5.348 1.00 5.44 H new ATOM 0 HD2 TYR A 79 9.982 3.997 6.845 1.00 61.21 H new ATOM 0 HE1 TYR A 79 12.547 6.850 3.766 1.00 23.02 H new ATOM 0 HE2 TYR A 79 11.566 2.981 5.267 1.00 33.22 H new ATOM 0 HH TYR A 79 13.036 3.313 3.653 1.00 32.21 H new ATOM 1251 N SER A 80 6.983 6.534 5.177 1.00 11.53 N ATOM 1252 CA SER A 80 6.406 6.061 3.925 1.00 74.41 C ATOM 1253 C SER A 80 7.415 5.226 3.143 1.00 44.55 C ATOM 1254 O SER A 80 7.461 4.004 3.274 1.00 23.20 O ATOM 1255 CB SER A 80 5.937 7.243 3.075 1.00 15.23 C ATOM 1256 OG SER A 80 4.797 7.862 3.647 1.00 31.30 O ATOM 0 H SER A 80 6.507 6.198 6.014 1.00 11.53 H new ATOM 0 HA SER A 80 5.548 5.433 4.164 1.00 74.41 H new ATOM 0 HB2 SER A 80 6.743 7.971 2.983 1.00 15.23 H new ATOM 0 HB3 SER A 80 5.701 6.900 2.068 1.00 15.23 H new ATOM 0 HG SER A 80 4.490 7.336 4.414 1.00 31.30 H new ATOM 1262 N MET A 81 8.223 5.898 2.328 1.00 61.30 N ATOM 1263 CA MET A 81 9.234 5.219 1.525 1.00 55.24 C ATOM 1264 C MET A 81 10.532 6.019 1.496 1.00 24.55 C ATOM 1265 O MET A 81 10.617 7.106 2.068 1.00 70.12 O ATOM 1266 CB MET A 81 8.722 5.004 0.099 1.00 44.12 C ATOM 1267 CG MET A 81 7.466 4.152 0.026 1.00 61.53 C ATOM 1268 SD MET A 81 6.220 4.844 -1.078 1.00 71.02 S ATOM 1269 CE MET A 81 4.987 5.388 0.102 1.00 42.23 C ATOM 0 H MET A 81 8.197 6.910 2.207 1.00 61.30 H new ATOM 0 HA MET A 81 9.435 4.250 1.982 1.00 55.24 H new ATOM 0 HB2 MET A 81 8.520 5.974 -0.356 1.00 44.12 H new ATOM 0 HB3 MET A 81 9.506 4.532 -0.492 1.00 44.12 H new ATOM 0 HG2 MET A 81 7.730 3.150 -0.313 1.00 61.53 H new ATOM 0 HG3 MET A 81 7.043 4.049 1.025 1.00 61.53 H new ATOM 0 HE1 MET A 81 3.992 5.154 -0.277 1.00 42.23 H new ATOM 0 HE2 MET A 81 5.142 4.877 1.052 1.00 42.23 H new ATOM 0 HE3 MET A 81 5.075 6.464 0.250 1.00 42.23 H new ATOM 1279 N LYS A 82 11.543 5.473 0.829 1.00 63.04 N ATOM 1280 CA LYS A 82 12.838 6.135 0.725 1.00 62.13 C ATOM 1281 C LYS A 82 12.760 7.340 -0.207 1.00 1.10 C ATOM 1282 O LYS A 82 12.449 7.202 -1.389 1.00 61.05 O ATOM 1283 CB LYS A 82 13.897 5.153 0.218 1.00 71.11 C ATOM 1284 CG LYS A 82 15.124 5.067 1.110 1.00 54.35 C ATOM 1285 CD LYS A 82 15.875 3.763 0.901 1.00 51.25 C ATOM 1286 CE LYS A 82 17.112 3.965 0.039 1.00 61.40 C ATOM 1287 NZ LYS A 82 18.367 3.819 0.828 1.00 51.24 N ATOM 0 H LYS A 82 11.490 4.573 0.352 1.00 63.04 H new ATOM 0 HA LYS A 82 13.120 6.484 1.718 1.00 62.13 H new ATOM 0 HB2 LYS A 82 13.450 4.162 0.132 1.00 71.11 H new ATOM 0 HB3 LYS A 82 14.207 5.451 -0.784 1.00 71.11 H new ATOM 0 HG2 LYS A 82 15.786 5.907 0.901 1.00 54.35 H new ATOM 0 HG3 LYS A 82 14.823 5.151 2.154 1.00 54.35 H new ATOM 0 HD2 LYS A 82 16.167 3.351 1.867 1.00 51.25 H new ATOM 0 HD3 LYS A 82 15.216 3.034 0.429 1.00 51.25 H new ATOM 0 HE2 LYS A 82 17.109 3.241 -0.776 1.00 61.40 H new ATOM 0 HE3 LYS A 82 17.081 4.956 -0.414 1.00 61.40 H new ATOM 0 HZ1 LYS A 82 19.187 3.964 0.205 1.00 51.24 H new ATOM 0 HZ2 LYS A 82 18.382 4.526 1.590 1.00 51.24 H new ATOM 0 HZ3 LYS A 82 18.409 2.865 1.240 1.00 51.24 H new ATOM 1301 N GLU A 83 13.046 8.520 0.334 1.00 14.41 N ATOM 1302 CA GLU A 83 13.008 9.749 -0.451 1.00 31.24 C ATOM 1303 C GLU A 83 14.055 9.718 -1.560 1.00 4.31 C ATOM 1304 O GLU A 83 13.839 10.252 -2.648 1.00 13.53 O ATOM 1305 CB GLU A 83 13.239 10.963 0.451 1.00 41.41 C ATOM 1306 CG GLU A 83 12.049 11.905 0.521 1.00 74.20 C ATOM 1307 CD GLU A 83 12.372 13.202 1.237 1.00 33.44 C ATOM 1308 OE1 GLU A 83 13.060 14.055 0.640 1.00 73.04 O ATOM 1309 OE2 GLU A 83 11.936 13.363 2.397 1.00 74.33 O ATOM 0 H GLU A 83 13.306 8.651 1.311 1.00 14.41 H new ATOM 0 HA GLU A 83 12.022 9.828 -0.909 1.00 31.24 H new ATOM 0 HB2 GLU A 83 13.478 10.617 1.457 1.00 41.41 H new ATOM 0 HB3 GLU A 83 14.107 11.514 0.089 1.00 41.41 H new ATOM 0 HG2 GLU A 83 11.707 12.128 -0.490 1.00 74.20 H new ATOM 0 HG3 GLU A 83 11.226 11.407 1.033 1.00 74.20 H new ATOM 1316 N ASP A 84 15.191 9.090 -1.276 1.00 11.11 N ATOM 1317 CA ASP A 84 16.273 8.989 -2.249 1.00 33.24 C ATOM 1318 C ASP A 84 15.770 8.394 -3.560 1.00 50.04 C ATOM 1319 O ASP A 84 16.210 8.786 -4.642 1.00 21.32 O ATOM 1320 CB ASP A 84 17.411 8.134 -1.690 1.00 3.02 C ATOM 1321 CG ASP A 84 18.026 8.734 -0.441 1.00 21.24 C ATOM 1322 OD1 ASP A 84 18.478 9.897 -0.501 1.00 24.51 O ATOM 1323 OD2 ASP A 84 18.054 8.041 0.598 1.00 63.23 O ATOM 0 H ASP A 84 15.386 8.643 -0.380 1.00 11.11 H new ATOM 0 HA ASP A 84 16.647 9.994 -2.446 1.00 33.24 H new ATOM 0 HB2 ASP A 84 17.034 7.137 -1.463 1.00 3.02 H new ATOM 0 HB3 ASP A 84 18.182 8.018 -2.451 1.00 3.02 H new ATOM 1328 N THR A 85 14.845 7.444 -3.458 1.00 5.12 N ATOM 1329 CA THR A 85 14.284 6.793 -4.635 1.00 44.40 C ATOM 1330 C THR A 85 12.864 7.276 -4.905 1.00 72.42 C ATOM 1331 O THR A 85 12.171 6.742 -5.772 1.00 23.10 O ATOM 1332 CB THR A 85 14.273 5.261 -4.478 1.00 42.12 C ATOM 1333 OG1 THR A 85 13.731 4.903 -3.202 1.00 54.23 O ATOM 1334 CG2 THR A 85 15.678 4.693 -4.615 1.00 74.21 C ATOM 0 H THR A 85 14.469 7.109 -2.571 1.00 5.12 H new ATOM 0 HA THR A 85 14.922 7.059 -5.478 1.00 44.40 H new ATOM 0 HB THR A 85 13.650 4.841 -5.268 1.00 42.12 H new ATOM 0 HG1 THR A 85 13.726 3.927 -3.111 1.00 54.23 H new ATOM 0 HG21 THR A 85 15.645 3.610 -4.500 1.00 74.21 H new ATOM 0 HG22 THR A 85 16.077 4.942 -5.598 1.00 74.21 H new ATOM 0 HG23 THR A 85 16.320 5.120 -3.844 1.00 74.21 H new ATOM 1342 N ARG A 86 12.435 8.288 -4.158 1.00 45.14 N ATOM 1343 CA ARG A 86 11.096 8.842 -4.318 1.00 22.13 C ATOM 1344 C ARG A 86 10.969 9.583 -5.645 1.00 52.32 C ATOM 1345 O ARG A 86 11.700 10.539 -5.907 1.00 51.44 O ATOM 1346 CB ARG A 86 10.771 9.787 -3.160 1.00 3.51 C ATOM 1347 CG ARG A 86 9.470 10.551 -3.344 1.00 42.32 C ATOM 1348 CD ARG A 86 9.110 11.346 -2.099 1.00 53.30 C ATOM 1349 NE ARG A 86 8.568 12.662 -2.427 1.00 51.15 N ATOM 1350 CZ ARG A 86 9.321 13.704 -2.763 1.00 74.25 C ATOM 1351 NH1 ARG A 86 10.640 13.583 -2.816 1.00 11.45 N ATOM 1352 NH2 ARG A 86 8.754 14.869 -3.049 1.00 15.12 N ATOM 0 H ARG A 86 12.995 8.741 -3.436 1.00 45.14 H new ATOM 0 HA ARG A 86 10.385 8.016 -4.314 1.00 22.13 H new ATOM 0 HB2 ARG A 86 10.717 9.211 -2.236 1.00 3.51 H new ATOM 0 HB3 ARG A 86 11.588 10.500 -3.044 1.00 3.51 H new ATOM 0 HG2 ARG A 86 9.561 11.226 -4.195 1.00 42.32 H new ATOM 0 HG3 ARG A 86 8.666 9.852 -3.576 1.00 42.32 H new ATOM 0 HD2 ARG A 86 8.379 10.789 -1.512 1.00 53.30 H new ATOM 0 HD3 ARG A 86 9.996 11.464 -1.476 1.00 53.30 H new ATOM 0 HE ARG A 86 7.556 12.788 -2.396 1.00 51.15 H new ATOM 0 HH11 ARG A 86 11.079 12.688 -2.599 1.00 11.45 H new ATOM 0 HH12 ARG A 86 11.216 14.384 -3.074 1.00 11.45 H new ATOM 0 HH21 ARG A 86 7.739 14.965 -3.011 1.00 15.12 H new ATOM 0 HH22 ARG A 86 9.333 15.668 -3.307 1.00 15.12 H new ATOM 1366 N LEU A 87 10.037 9.136 -6.479 1.00 53.24 N ATOM 1367 CA LEU A 87 9.813 9.757 -7.781 1.00 23.53 C ATOM 1368 C LEU A 87 8.582 10.656 -7.751 1.00 52.00 C ATOM 1369 O LEU A 87 8.674 11.858 -7.998 1.00 72.11 O ATOM 1370 CB LEU A 87 9.649 8.683 -8.858 1.00 0.00 C ATOM 1371 CG LEU A 87 10.778 8.584 -9.884 1.00 62.42 C ATOM 1372 CD1 LEU A 87 10.476 7.500 -10.907 1.00 72.23 C ATOM 1373 CD2 LEU A 87 10.993 9.924 -10.572 1.00 63.11 C ATOM 0 H LEU A 87 9.424 8.346 -6.278 1.00 53.24 H new ATOM 0 HA LEU A 87 10.682 10.371 -8.018 1.00 23.53 H new ATOM 0 HB2 LEU A 87 9.546 7.716 -8.366 1.00 0.00 H new ATOM 0 HB3 LEU A 87 8.716 8.870 -9.390 1.00 0.00 H new ATOM 0 HG LEU A 87 11.696 8.316 -9.361 1.00 62.42 H new ATOM 0 HD11 LEU A 87 11.291 7.444 -11.629 1.00 72.23 H new ATOM 0 HD12 LEU A 87 10.373 6.540 -10.401 1.00 72.23 H new ATOM 0 HD13 LEU A 87 9.547 7.738 -11.426 1.00 72.23 H new ATOM 0 HD21 LEU A 87 11.800 9.834 -11.299 1.00 63.11 H new ATOM 0 HD22 LEU A 87 10.077 10.222 -11.082 1.00 63.11 H new ATOM 0 HD23 LEU A 87 11.256 10.677 -9.829 1.00 63.11 H new ATOM 1385 N GLU A 88 7.431 10.065 -7.445 1.00 11.21 N ATOM 1386 CA GLU A 88 6.182 10.814 -7.381 1.00 54.53 C ATOM 1387 C GLU A 88 5.507 10.634 -6.024 1.00 45.12 C ATOM 1388 O GLU A 88 5.972 9.863 -5.186 1.00 1.24 O ATOM 1389 CB GLU A 88 5.235 10.366 -8.497 1.00 0.31 C ATOM 1390 CG GLU A 88 4.649 11.518 -9.297 1.00 21.51 C ATOM 1391 CD GLU A 88 5.704 12.293 -10.062 1.00 21.11 C ATOM 1392 OE1 GLU A 88 6.763 11.708 -10.372 1.00 73.10 O ATOM 1393 OE2 GLU A 88 5.470 13.485 -10.350 1.00 42.35 O ATOM 0 H GLU A 88 7.338 9.071 -7.238 1.00 11.21 H new ATOM 0 HA GLU A 88 6.415 11.870 -7.514 1.00 54.53 H new ATOM 0 HB2 GLU A 88 5.773 9.701 -9.173 1.00 0.31 H new ATOM 0 HB3 GLU A 88 4.421 9.787 -8.061 1.00 0.31 H new ATOM 0 HG2 GLU A 88 3.909 11.130 -9.997 1.00 21.51 H new ATOM 0 HG3 GLU A 88 4.125 12.194 -8.622 1.00 21.51 H new ATOM 1400 N GLY A 89 4.408 11.352 -5.816 1.00 1.52 N ATOM 1401 CA GLY A 89 3.688 11.259 -4.559 1.00 72.35 C ATOM 1402 C GLY A 89 4.220 12.217 -3.513 1.00 4.12 C ATOM 1403 O GLY A 89 5.033 13.096 -3.801 1.00 64.50 O ATOM 0 H GLY A 89 4.003 11.996 -6.495 1.00 1.52 H new ATOM 0 HA2 GLY A 89 2.632 11.466 -4.733 1.00 72.35 H new ATOM 0 HA3 GLY A 89 3.755 10.239 -4.180 1.00 72.35 H new ATOM 1407 N PRO A 90 3.756 12.054 -2.265 1.00 4.21 N ATOM 1408 CA PRO A 90 2.788 11.013 -1.910 1.00 72.42 C ATOM 1409 C PRO A 90 1.405 11.284 -2.494 1.00 23.42 C ATOM 1410 O PRO A 90 1.141 12.370 -3.009 1.00 20.10 O ATOM 1411 CB PRO A 90 2.744 11.074 -0.381 1.00 43.53 C ATOM 1412 CG PRO A 90 3.152 12.468 -0.047 1.00 25.41 C ATOM 1413 CD PRO A 90 4.141 12.875 -1.104 1.00 61.42 C ATOM 0 HA PRO A 90 3.077 10.038 -2.303 1.00 72.42 H new ATOM 0 HB2 PRO A 90 1.745 10.852 -0.004 1.00 43.53 H new ATOM 0 HB3 PRO A 90 3.422 10.345 0.064 1.00 43.53 H new ATOM 0 HG2 PRO A 90 2.291 13.136 -0.041 1.00 25.41 H new ATOM 0 HG3 PRO A 90 3.600 12.516 0.946 1.00 25.41 H new ATOM 0 HD2 PRO A 90 4.077 13.940 -1.326 1.00 61.42 H new ATOM 0 HD3 PRO A 90 5.167 12.676 -0.793 1.00 61.42 H new ATOM 1421 N TRP A 91 0.528 10.290 -2.409 1.00 52.42 N ATOM 1422 CA TRP A 91 -0.829 10.423 -2.929 1.00 65.32 C ATOM 1423 C TRP A 91 -1.840 9.792 -1.978 1.00 41.24 C ATOM 1424 O TRP A 91 -1.527 8.834 -1.273 1.00 31.13 O ATOM 1425 CB TRP A 91 -0.933 9.772 -4.310 1.00 12.35 C ATOM 1426 CG TRP A 91 -0.305 10.587 -5.399 1.00 65.13 C ATOM 1427 CD1 TRP A 91 -0.344 11.945 -5.534 1.00 11.42 C ATOM 1428 CD2 TRP A 91 0.456 10.094 -6.508 1.00 33.12 C ATOM 1429 NE1 TRP A 91 0.346 12.327 -6.659 1.00 72.43 N ATOM 1430 CE2 TRP A 91 0.847 11.210 -7.274 1.00 33.42 C ATOM 1431 CE3 TRP A 91 0.846 8.819 -6.927 1.00 11.22 C ATOM 1432 CZ2 TRP A 91 1.607 11.086 -8.434 1.00 11.22 C ATOM 1433 CZ3 TRP A 91 1.600 8.698 -8.078 1.00 41.44 C ATOM 1434 CH2 TRP A 91 1.975 9.826 -8.821 1.00 12.23 C ATOM 0 H TRP A 91 0.731 9.384 -1.986 1.00 52.42 H new ATOM 0 HA TRP A 91 -1.056 11.485 -3.018 1.00 65.32 H new ATOM 0 HB2 TRP A 91 -0.457 8.792 -4.279 1.00 12.35 H new ATOM 0 HB3 TRP A 91 -1.984 9.608 -4.548 1.00 12.35 H new ATOM 0 HD1 TRP A 91 -0.844 12.620 -4.856 1.00 11.42 H new ATOM 0 HE1 TRP A 91 0.466 13.287 -6.984 1.00 72.43 H new ATOM 0 HE3 TRP A 91 0.563 7.944 -6.361 1.00 11.22 H new ATOM 0 HZ2 TRP A 91 1.896 11.954 -9.008 1.00 11.22 H new ATOM 0 HZ3 TRP A 91 1.906 7.717 -8.411 1.00 41.44 H new ATOM 0 HH2 TRP A 91 2.566 9.698 -9.716 1.00 12.23 H new ATOM 1445 N GLU A 92 -3.053 10.336 -1.965 1.00 41.25 N ATOM 1446 CA GLU A 92 -4.109 9.825 -1.100 1.00 12.53 C ATOM 1447 C GLU A 92 -5.413 9.656 -1.874 1.00 60.44 C ATOM 1448 O GLU A 92 -5.787 10.511 -2.677 1.00 0.43 O ATOM 1449 CB GLU A 92 -4.327 10.767 0.086 1.00 10.14 C ATOM 1450 CG GLU A 92 -3.274 10.631 1.173 1.00 22.21 C ATOM 1451 CD GLU A 92 -3.419 11.677 2.261 1.00 41.53 C ATOM 1452 OE1 GLU A 92 -4.364 12.490 2.181 1.00 62.20 O ATOM 1453 OE2 GLU A 92 -2.587 11.684 3.192 1.00 23.41 O ATOM 0 H GLU A 92 -3.328 11.130 -2.543 1.00 41.25 H new ATOM 0 HA GLU A 92 -3.798 8.849 -0.728 1.00 12.53 H new ATOM 0 HB2 GLU A 92 -4.334 11.796 -0.274 1.00 10.14 H new ATOM 0 HB3 GLU A 92 -5.309 10.573 0.517 1.00 10.14 H new ATOM 0 HG2 GLU A 92 -3.343 9.638 1.618 1.00 22.21 H new ATOM 0 HG3 GLU A 92 -2.283 10.712 0.726 1.00 22.21 H new ATOM 1460 N TYR A 93 -6.100 8.545 -1.629 1.00 3.53 N ATOM 1461 CA TYR A 93 -7.360 8.261 -2.305 1.00 21.13 C ATOM 1462 C TYR A 93 -8.355 7.608 -1.350 1.00 1.31 C ATOM 1463 O TYR A 93 -7.978 7.093 -0.298 1.00 44.43 O ATOM 1464 CB TYR A 93 -7.122 7.351 -3.511 1.00 24.01 C ATOM 1465 CG TYR A 93 -6.393 8.031 -4.648 1.00 12.20 C ATOM 1466 CD1 TYR A 93 -5.005 8.051 -4.697 1.00 62.31 C ATOM 1467 CD2 TYR A 93 -7.094 8.654 -5.674 1.00 23.31 C ATOM 1468 CE1 TYR A 93 -4.335 8.672 -5.734 1.00 34.34 C ATOM 1469 CE2 TYR A 93 -6.433 9.276 -6.715 1.00 64.13 C ATOM 1470 CZ TYR A 93 -5.054 9.283 -6.740 1.00 65.44 C ATOM 1471 OH TYR A 93 -4.390 9.901 -7.775 1.00 54.14 O ATOM 0 H TYR A 93 -5.805 7.827 -0.967 1.00 3.53 H new ATOM 0 HA TYR A 93 -7.780 9.206 -2.649 1.00 21.13 H new ATOM 0 HB2 TYR A 93 -6.548 6.481 -3.191 1.00 24.01 H new ATOM 0 HB3 TYR A 93 -8.082 6.984 -3.874 1.00 24.01 H new ATOM 0 HD1 TYR A 93 -4.439 7.573 -3.911 1.00 62.31 H new ATOM 0 HD2 TYR A 93 -8.174 8.652 -5.657 1.00 23.31 H new ATOM 0 HE1 TYR A 93 -3.255 8.679 -5.757 1.00 34.34 H new ATOM 0 HE2 TYR A 93 -6.993 9.754 -7.505 1.00 64.13 H new ATOM 0 HH TYR A 93 -5.041 10.281 -8.401 1.00 54.14 H new ATOM 1481 N GLY A 94 -9.630 7.634 -1.726 1.00 71.10 N ATOM 1482 CA GLY A 94 -10.661 7.042 -0.894 1.00 20.42 C ATOM 1483 C GLY A 94 -11.226 8.022 0.115 1.00 70.11 C ATOM 1484 O GLY A 94 -11.248 9.228 -0.128 1.00 74.13 O ATOM 0 H GLY A 94 -9.967 8.055 -2.592 1.00 71.10 H new ATOM 0 HA2 GLY A 94 -11.467 6.673 -1.528 1.00 20.42 H new ATOM 0 HA3 GLY A 94 -10.249 6.181 -0.368 1.00 20.42 H new ATOM 1488 N GLU A 95 -11.685 7.503 1.249 1.00 32.24 N ATOM 1489 CA GLU A 95 -12.255 8.342 2.297 1.00 74.22 C ATOM 1490 C GLU A 95 -11.307 9.482 2.657 1.00 32.12 C ATOM 1491 O GLU A 95 -11.628 10.654 2.461 1.00 24.33 O ATOM 1492 CB GLU A 95 -12.561 7.505 3.541 1.00 10.51 C ATOM 1493 CG GLU A 95 -12.950 8.336 4.752 1.00 15.23 C ATOM 1494 CD GLU A 95 -11.888 8.325 5.834 1.00 64.23 C ATOM 1495 OE1 GLU A 95 -11.489 7.221 6.261 1.00 11.13 O ATOM 1496 OE2 GLU A 95 -11.455 9.419 6.253 1.00 63.45 O ATOM 0 H GLU A 95 -11.673 6.506 1.466 1.00 32.24 H new ATOM 0 HA GLU A 95 -13.183 8.771 1.919 1.00 74.22 H new ATOM 0 HB2 GLU A 95 -13.370 6.811 3.312 1.00 10.51 H new ATOM 0 HB3 GLU A 95 -11.686 6.904 3.789 1.00 10.51 H new ATOM 0 HG2 GLU A 95 -13.133 9.364 4.439 1.00 15.23 H new ATOM 0 HG3 GLU A 95 -13.886 7.956 5.163 1.00 15.23 H new