USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 592 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 61 ASN : amide:sc= -2.03 X(o=-2.3,f=-2.5!) USER MOD Set 1.2: A 63 SER OG : rot 180:sc= -0.23 USER MOD Single : A 4 GLN : amide:sc= -0.663 K(o=-0.66,f=-1.4!) USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0379 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 159:sc= -0.546 (180deg=-1.18) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -1 X(o=-1,f=-0.61) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 162:sc= -0.137 (180deg=-0.559) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= -0.121 K(o=-0.12,f=-0.63) USER MOD Single : A 80 GLN : amide:sc= -0.769 X(o=-0.77,f=-1.3) USER MOD Single : A 82 MET CE :methyl -158:sc= -0.0454 (180deg=-0.359) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot -150:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 115:sc= 0.0722 USER MOD Single : A 92 ASN : amide:sc= -4.07 X(o=-4.1,f=-4.2!) USER MOD Single : A 93 TYR OH : rot 180:sc= -0.014 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= -0.433 X(o=-0.43,f=0.0011) USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 3 11.357 -3.670 4.376 1.00 45.42 N ATOM 19 CA ALA A 3 10.305 -4.660 4.182 1.00 20.10 C ATOM 20 C ALA A 3 9.680 -5.064 5.513 1.00 74.32 C ATOM 21 O ALA A 3 10.197 -5.934 6.213 1.00 61.32 O ATOM 22 CB ALA A 3 10.856 -5.883 3.463 1.00 62.53 C ATOM 0 HA ALA A 3 9.526 -4.210 3.566 1.00 20.10 H new ATOM 0 HB1 ALA A 3 10.059 -6.614 3.325 1.00 62.53 H new ATOM 0 HB2 ALA A 3 11.249 -5.587 2.490 1.00 62.53 H new ATOM 0 HB3 ALA A 3 11.655 -6.325 4.058 1.00 62.53 H new ATOM 28 N GLN A 4 8.563 -4.427 5.855 1.00 53.30 N ATOM 29 CA GLN A 4 7.870 -4.721 7.103 1.00 55.24 C ATOM 30 C GLN A 4 6.781 -5.767 6.888 1.00 62.01 C ATOM 31 O GLN A 4 6.002 -5.680 5.940 1.00 14.23 O ATOM 32 CB GLN A 4 7.258 -3.444 7.684 1.00 43.23 C ATOM 33 CG GLN A 4 6.616 -3.642 9.046 1.00 52.42 C ATOM 34 CD GLN A 4 7.471 -4.481 9.978 1.00 64.32 C ATOM 35 OE1 GLN A 4 8.696 -4.365 9.987 1.00 52.44 O ATOM 36 NE2 GLN A 4 6.826 -5.331 10.768 1.00 32.22 N ATOM 0 H GLN A 4 8.120 -3.706 5.286 1.00 53.30 H new ATOM 0 HA GLN A 4 8.599 -5.121 7.808 1.00 55.24 H new ATOM 0 HB2 GLN A 4 8.034 -2.683 7.765 1.00 43.23 H new ATOM 0 HB3 GLN A 4 6.509 -3.062 6.991 1.00 43.23 H new ATOM 0 HG2 GLN A 4 6.434 -2.669 9.503 1.00 52.42 H new ATOM 0 HG3 GLN A 4 5.645 -4.121 8.920 1.00 52.42 H new ATOM 0 HE21 GLN A 4 5.809 -5.394 10.727 1.00 32.22 H new ATOM 0 HE22 GLN A 4 7.348 -5.921 11.416 1.00 32.22 H new ATOM 43 N ASN A 5 6.736 -6.757 7.774 1.00 23.33 N ATOM 44 CA ASN A 5 5.743 -7.822 7.680 1.00 71.24 C ATOM 45 C ASN A 5 4.425 -7.395 8.318 1.00 32.30 C ATOM 46 O ASN A 5 4.374 -7.072 9.505 1.00 32.30 O ATOM 47 CB ASN A 5 6.263 -9.092 8.357 1.00 22.52 C ATOM 48 CG ASN A 5 7.213 -9.872 7.469 1.00 24.24 C ATOM 49 OD1 ASN A 5 8.228 -9.345 7.013 1.00 1.52 O ATOM 50 ND2 ASN A 5 6.887 -11.135 7.221 1.00 64.04 N ATOM 0 H ASN A 5 7.375 -6.844 8.564 1.00 23.33 H new ATOM 0 HA ASN A 5 5.565 -8.027 6.624 1.00 71.24 H new ATOM 0 HB2 ASN A 5 6.772 -8.825 9.283 1.00 22.52 H new ATOM 0 HB3 ASN A 5 5.420 -9.727 8.629 1.00 22.52 H new ATOM 0 HD21 ASN A 5 7.488 -11.710 6.631 1.00 64.04 H new ATOM 0 HD22 ASN A 5 6.036 -11.530 7.621 1.00 64.04 H new ATOM 56 N ILE A 6 3.362 -7.394 7.521 1.00 75.33 N ATOM 57 CA ILE A 6 2.044 -7.008 8.008 1.00 34.45 C ATOM 58 C ILE A 6 1.011 -8.093 7.719 1.00 73.41 C ATOM 59 O ILE A 6 0.792 -8.466 6.566 1.00 32.55 O ATOM 60 CB ILE A 6 1.574 -5.685 7.373 1.00 4.23 C ATOM 61 CG1 ILE A 6 2.562 -4.561 7.694 1.00 30.34 C ATOM 62 CG2 ILE A 6 0.179 -5.328 7.866 1.00 20.00 C ATOM 63 CD1 ILE A 6 2.777 -4.350 9.177 1.00 44.41 C ATOM 0 H ILE A 6 3.388 -7.656 6.536 1.00 75.33 H new ATOM 0 HA ILE A 6 2.133 -6.873 9.086 1.00 34.45 H new ATOM 0 HB ILE A 6 1.535 -5.811 6.291 1.00 4.23 H new ATOM 0 HG12 ILE A 6 3.520 -4.785 7.225 1.00 30.34 H new ATOM 0 HG13 ILE A 6 2.200 -3.633 7.252 1.00 30.34 H new ATOM 0 HG21 ILE A 6 -0.140 -4.391 7.409 1.00 20.00 H new ATOM 0 HG22 ILE A 6 -0.517 -6.121 7.592 1.00 20.00 H new ATOM 0 HG23 ILE A 6 0.194 -5.216 8.950 1.00 20.00 H new ATOM 0 HD11 ILE A 6 3.489 -3.539 9.330 1.00 44.41 H new ATOM 0 HD12 ILE A 6 1.829 -4.095 9.649 1.00 44.41 H new ATOM 0 HD13 ILE A 6 3.169 -5.265 9.622 1.00 44.41 H new ATOM 74 N THR A 7 0.377 -8.595 8.775 1.00 73.45 N ATOM 75 CA THR A 7 -0.632 -9.636 8.634 1.00 25.31 C ATOM 76 C THR A 7 -2.034 -9.039 8.594 1.00 24.44 C ATOM 77 O THR A 7 -2.338 -8.091 9.317 1.00 1.11 O ATOM 78 CB THR A 7 -0.554 -10.655 9.788 1.00 74.01 C ATOM 79 OG1 THR A 7 -0.087 -10.010 10.977 1.00 14.41 O ATOM 80 CG2 THR A 7 0.374 -11.805 9.430 1.00 31.44 C ATOM 0 H THR A 7 0.545 -8.297 9.736 1.00 73.45 H new ATOM 0 HA THR A 7 -0.429 -10.147 7.693 1.00 25.31 H new ATOM 0 HB THR A 7 -1.553 -11.056 9.961 1.00 74.01 H new ATOM 0 HG1 THR A 7 -0.041 -10.663 11.707 1.00 14.41 H new ATOM 0 HG21 THR A 7 0.414 -12.512 10.259 1.00 31.44 H new ATOM 0 HG22 THR A 7 0.000 -12.310 8.540 1.00 31.44 H new ATOM 0 HG23 THR A 7 1.374 -11.418 9.235 1.00 31.44 H new ATOM 88 N ALA A 8 -2.889 -9.602 7.743 1.00 12.10 N ATOM 89 CA ALA A 8 -4.260 -9.128 7.612 1.00 24.11 C ATOM 90 C ALA A 8 -5.203 -10.270 7.246 1.00 35.11 C ATOM 91 O ALA A 8 -4.763 -11.353 6.863 1.00 11.42 O ATOM 92 CB ALA A 8 -4.337 -8.022 6.568 1.00 23.04 C ATOM 0 H ALA A 8 -2.654 -10.387 7.135 1.00 12.10 H new ATOM 0 HA ALA A 8 -4.574 -8.727 8.576 1.00 24.11 H new ATOM 0 HB1 ALA A 8 -5.367 -7.676 6.479 1.00 23.04 H new ATOM 0 HB2 ALA A 8 -3.700 -7.191 6.871 1.00 23.04 H new ATOM 0 HB3 ALA A 8 -3.999 -8.406 5.605 1.00 23.04 H new ATOM 98 N ARG A 9 -6.502 -10.019 7.369 1.00 71.31 N ATOM 99 CA ARG A 9 -7.508 -11.027 7.052 1.00 51.02 C ATOM 100 C ARG A 9 -8.466 -10.521 5.978 1.00 2.00 C ATOM 101 O ARG A 9 -8.723 -9.321 5.876 1.00 22.22 O ATOM 102 CB ARG A 9 -8.291 -11.408 8.310 1.00 43.21 C ATOM 103 CG ARG A 9 -7.897 -12.758 8.887 1.00 64.30 C ATOM 104 CD ARG A 9 -7.145 -12.606 10.198 1.00 12.12 C ATOM 105 NE ARG A 9 -7.205 -13.820 11.008 1.00 53.41 N ATOM 106 CZ ARG A 9 -8.303 -14.235 11.629 1.00 33.20 C ATOM 107 NH1 ARG A 9 -9.427 -13.537 11.533 1.00 65.22 N ATOM 108 NH2 ARG A 9 -8.279 -15.349 12.348 1.00 42.32 N ATOM 0 H ARG A 9 -6.883 -9.127 7.686 1.00 71.31 H new ATOM 0 HA ARG A 9 -6.995 -11.909 6.669 1.00 51.02 H new ATOM 0 HB2 ARG A 9 -8.140 -10.640 9.069 1.00 43.21 H new ATOM 0 HB3 ARG A 9 -9.355 -11.419 8.076 1.00 43.21 H new ATOM 0 HG2 ARG A 9 -8.791 -13.361 9.047 1.00 64.30 H new ATOM 0 HG3 ARG A 9 -7.275 -13.294 8.170 1.00 64.30 H new ATOM 0 HD2 ARG A 9 -6.104 -12.359 9.992 1.00 12.12 H new ATOM 0 HD3 ARG A 9 -7.565 -11.773 10.762 1.00 12.12 H new ATOM 0 HE ARG A 9 -6.357 -14.380 11.102 1.00 53.41 H new ATOM 0 HH11 ARG A 9 -9.449 -12.679 10.981 1.00 65.22 H new ATOM 0 HH12 ARG A 9 -10.269 -13.858 12.011 1.00 65.22 H new ATOM 0 HH21 ARG A 9 -7.417 -15.888 12.425 1.00 42.32 H new ATOM 0 HH22 ARG A 9 -9.123 -15.667 12.825 1.00 42.32 H new ATOM 119 N ILE A 10 -8.989 -11.444 5.177 1.00 31.14 N ATOM 120 CA ILE A 10 -9.919 -11.091 4.112 1.00 40.45 C ATOM 121 C ILE A 10 -11.114 -10.317 4.657 1.00 32.41 C ATOM 122 O ILE A 10 -11.854 -10.813 5.504 1.00 14.21 O ATOM 123 CB ILE A 10 -10.427 -12.343 3.371 1.00 32.14 C ATOM 124 CG1 ILE A 10 -9.256 -13.101 2.743 1.00 42.22 C ATOM 125 CG2 ILE A 10 -11.444 -11.954 2.309 1.00 13.33 C ATOM 126 CD1 ILE A 10 -9.503 -14.588 2.606 1.00 73.13 C ATOM 0 H ILE A 10 -8.784 -12.441 5.246 1.00 31.14 H new ATOM 0 HA ILE A 10 -9.371 -10.460 3.412 1.00 40.45 H new ATOM 0 HB ILE A 10 -10.916 -13.000 4.091 1.00 32.14 H new ATOM 0 HG12 ILE A 10 -9.049 -12.683 1.758 1.00 42.22 H new ATOM 0 HG13 ILE A 10 -8.364 -12.943 3.350 1.00 42.22 H new ATOM 0 HG21 ILE A 10 -11.793 -12.849 1.794 1.00 13.33 H new ATOM 0 HG22 ILE A 10 -12.290 -11.453 2.781 1.00 13.33 H new ATOM 0 HG23 ILE A 10 -10.979 -11.280 1.589 1.00 13.33 H new ATOM 0 HD11 ILE A 10 -8.632 -15.061 2.154 1.00 73.13 H new ATOM 0 HD12 ILE A 10 -9.680 -15.020 3.591 1.00 73.13 H new ATOM 0 HD13 ILE A 10 -10.376 -14.755 1.975 1.00 73.13 H new ATOM 137 N GLY A 11 -11.296 -9.096 4.162 1.00 53.12 N ATOM 138 CA GLY A 11 -12.404 -8.272 4.611 1.00 20.02 C ATOM 139 C GLY A 11 -12.063 -7.468 5.850 1.00 25.20 C ATOM 140 O GLY A 11 -12.940 -6.854 6.457 1.00 51.11 O ATOM 0 H GLY A 11 -10.697 -8.663 3.459 1.00 53.12 H new ATOM 0 HA2 GLY A 11 -12.696 -7.593 3.810 1.00 20.02 H new ATOM 0 HA3 GLY A 11 -13.265 -8.908 4.819 1.00 20.02 H new ATOM 144 N GLU A 12 -10.789 -7.474 6.226 1.00 71.23 N ATOM 145 CA GLU A 12 -10.337 -6.740 7.403 1.00 50.25 C ATOM 146 C GLU A 12 -9.638 -5.445 7.001 1.00 21.33 C ATOM 147 O GLU A 12 -8.865 -5.397 6.044 1.00 13.24 O ATOM 148 CB GLU A 12 -9.391 -7.607 8.239 1.00 74.45 C ATOM 149 CG GLU A 12 -10.053 -8.842 8.824 1.00 45.14 C ATOM 150 CD GLU A 12 -11.422 -8.549 9.407 1.00 71.42 C ATOM 151 OE1 GLU A 12 -11.530 -7.615 10.229 1.00 45.13 O ATOM 152 OE2 GLU A 12 -12.385 -9.255 9.041 1.00 21.35 O ATOM 0 H GLU A 12 -10.051 -7.978 5.734 1.00 71.23 H new ATOM 0 HA GLU A 12 -11.212 -6.488 8.002 1.00 50.25 H new ATOM 0 HB2 GLU A 12 -8.551 -7.916 7.617 1.00 74.45 H new ATOM 0 HB3 GLU A 12 -8.983 -7.005 9.051 1.00 74.45 H new ATOM 0 HG2 GLU A 12 -10.148 -9.601 8.048 1.00 45.14 H new ATOM 0 HG3 GLU A 12 -9.413 -9.259 9.601 1.00 45.14 H new ATOM 157 N PRO A 13 -9.914 -4.367 7.751 1.00 3.12 N ATOM 158 CA PRO A 13 -9.323 -3.051 7.493 1.00 2.01 C ATOM 159 C PRO A 13 -7.833 -3.012 7.812 1.00 12.53 C ATOM 160 O PRO A 13 -7.376 -3.640 8.769 1.00 10.33 O ATOM 161 CB PRO A 13 -10.096 -2.124 8.435 1.00 65.53 C ATOM 162 CG PRO A 13 -10.567 -3.009 9.536 1.00 3.21 C ATOM 163 CD PRO A 13 -10.825 -4.351 8.907 1.00 25.54 C ATOM 0 HA PRO A 13 -9.396 -2.771 6.442 1.00 2.01 H new ATOM 0 HB2 PRO A 13 -9.459 -1.325 8.815 1.00 65.53 H new ATOM 0 HB3 PRO A 13 -10.933 -1.649 7.924 1.00 65.53 H new ATOM 0 HG2 PRO A 13 -9.817 -3.085 10.324 1.00 3.21 H new ATOM 0 HG3 PRO A 13 -11.473 -2.613 9.995 1.00 3.21 H new ATOM 0 HD2 PRO A 13 -10.611 -5.166 9.598 1.00 25.54 H new ATOM 0 HD3 PRO A 13 -11.865 -4.458 8.600 1.00 25.54 H new ATOM 168 N LEU A 14 -7.079 -2.271 7.009 1.00 52.13 N ATOM 169 CA LEU A 14 -5.639 -2.150 7.207 1.00 11.41 C ATOM 170 C LEU A 14 -5.151 -0.758 6.817 1.00 43.33 C ATOM 171 O LEU A 14 -5.642 -0.163 5.858 1.00 61.04 O ATOM 172 CB LEU A 14 -4.900 -3.210 6.389 1.00 3.44 C ATOM 173 CG LEU A 14 -3.384 -3.047 6.293 1.00 1.31 C ATOM 174 CD1 LEU A 14 -2.731 -3.315 7.642 1.00 63.05 C ATOM 175 CD2 LEU A 14 -2.813 -3.975 5.230 1.00 35.04 C ATOM 0 H LEU A 14 -7.441 -1.744 6.214 1.00 52.13 H new ATOM 0 HA LEU A 14 -5.429 -2.306 8.265 1.00 11.41 H new ATOM 0 HB2 LEU A 14 -5.113 -4.188 6.821 1.00 3.44 H new ATOM 0 HB3 LEU A 14 -5.310 -3.212 5.379 1.00 3.44 H new ATOM 0 HG LEU A 14 -3.167 -2.019 6.004 1.00 1.31 H new ATOM 0 HD11 LEU A 14 -1.651 -3.194 7.554 1.00 63.05 H new ATOM 0 HD12 LEU A 14 -3.116 -2.610 8.379 1.00 63.05 H new ATOM 0 HD13 LEU A 14 -2.957 -4.333 7.960 1.00 63.05 H new ATOM 0 HD21 LEU A 14 -1.732 -3.845 5.176 1.00 35.04 H new ATOM 0 HD22 LEU A 14 -3.042 -5.009 5.489 1.00 35.04 H new ATOM 0 HD23 LEU A 14 -3.256 -3.737 4.263 1.00 35.04 H new ATOM 186 N VAL A 15 -4.179 -0.246 7.564 1.00 13.23 N ATOM 187 CA VAL A 15 -3.621 1.074 7.296 1.00 41.14 C ATOM 188 C VAL A 15 -2.113 1.001 7.083 1.00 2.31 C ATOM 189 O VAL A 15 -1.418 0.235 7.753 1.00 62.34 O ATOM 190 CB VAL A 15 -3.920 2.055 8.443 1.00 2.31 C ATOM 191 CG1 VAL A 15 -3.410 3.447 8.104 1.00 60.52 C ATOM 192 CG2 VAL A 15 -5.410 2.083 8.747 1.00 61.15 C ATOM 0 H VAL A 15 -3.761 -0.726 8.361 1.00 13.23 H new ATOM 0 HA VAL A 15 -4.096 1.438 6.385 1.00 41.14 H new ATOM 0 HB VAL A 15 -3.397 1.711 9.336 1.00 2.31 H new ATOM 0 HG11 VAL A 15 -3.631 4.126 8.928 1.00 60.52 H new ATOM 0 HG12 VAL A 15 -2.333 3.411 7.943 1.00 60.52 H new ATOM 0 HG13 VAL A 15 -3.900 3.804 7.198 1.00 60.52 H new ATOM 0 HG21 VAL A 15 -5.602 2.782 9.561 1.00 61.15 H new ATOM 0 HG22 VAL A 15 -5.957 2.400 7.859 1.00 61.15 H new ATOM 0 HG23 VAL A 15 -5.740 1.086 9.039 1.00 61.15 H new ATOM 202 N LEU A 16 -1.612 1.801 6.149 1.00 71.10 N ATOM 203 CA LEU A 16 -0.185 1.828 5.848 1.00 20.31 C ATOM 204 C LEU A 16 0.335 3.261 5.806 1.00 74.32 C ATOM 205 O LEU A 16 -0.387 4.185 5.428 1.00 14.45 O ATOM 206 CB LEU A 16 0.088 1.135 4.512 1.00 33.01 C ATOM 207 CG LEU A 16 -0.262 -0.352 4.444 1.00 24.20 C ATOM 208 CD1 LEU A 16 -0.069 -0.881 3.031 1.00 62.02 C ATOM 209 CD2 LEU A 16 0.581 -1.144 5.432 1.00 10.30 C ATOM 0 H LEU A 16 -2.173 2.440 5.586 1.00 71.10 H new ATOM 0 HA LEU A 16 0.339 1.294 6.641 1.00 20.31 H new ATOM 0 HB2 LEU A 16 -0.471 1.655 3.735 1.00 33.01 H new ATOM 0 HB3 LEU A 16 1.146 1.250 4.275 1.00 33.01 H new ATOM 0 HG LEU A 16 -1.311 -0.472 4.715 1.00 24.20 H new ATOM 0 HD11 LEU A 16 -0.323 -1.941 3.001 1.00 62.02 H new ATOM 0 HD12 LEU A 16 -0.716 -0.334 2.346 1.00 62.02 H new ATOM 0 HD13 LEU A 16 0.971 -0.748 2.732 1.00 62.02 H new ATOM 0 HD21 LEU A 16 0.318 -2.200 5.370 1.00 10.30 H new ATOM 0 HD22 LEU A 16 1.637 -1.018 5.192 1.00 10.30 H new ATOM 0 HD23 LEU A 16 0.393 -0.782 6.443 1.00 10.30 H new ATOM 220 N LYS A 17 1.593 3.439 6.195 1.00 71.40 N ATOM 221 CA LYS A 17 2.213 4.760 6.200 1.00 33.24 C ATOM 222 C LYS A 17 3.337 4.836 5.172 1.00 24.24 C ATOM 223 O LYS A 17 3.975 3.831 4.858 1.00 51.13 O ATOM 224 CB LYS A 17 2.759 5.085 7.592 1.00 40.02 C ATOM 225 CG LYS A 17 3.091 6.554 7.787 1.00 33.11 C ATOM 226 CD LYS A 17 3.064 6.942 9.256 1.00 71.33 C ATOM 227 CE LYS A 17 1.667 7.350 9.699 1.00 65.14 C ATOM 228 NZ LYS A 17 1.703 8.299 10.845 1.00 62.00 N ATOM 0 H LYS A 17 2.204 2.686 6.511 1.00 71.40 H new ATOM 0 HA LYS A 17 1.451 5.493 5.935 1.00 33.24 H new ATOM 0 HB2 LYS A 17 2.025 4.784 8.340 1.00 40.02 H new ATOM 0 HB3 LYS A 17 3.656 4.492 7.769 1.00 40.02 H new ATOM 0 HG2 LYS A 17 4.077 6.763 7.373 1.00 33.11 H new ATOM 0 HG3 LYS A 17 2.377 7.166 7.235 1.00 33.11 H new ATOM 0 HD2 LYS A 17 3.408 6.104 9.861 1.00 71.33 H new ATOM 0 HD3 LYS A 17 3.757 7.766 9.429 1.00 71.33 H new ATOM 0 HE2 LYS A 17 1.141 7.811 8.863 1.00 65.14 H new ATOM 0 HE3 LYS A 17 1.102 6.462 9.981 1.00 65.14 H new ATOM 0 HZ1 LYS A 17 0.732 8.552 11.117 1.00 62.00 H new ATOM 0 HZ2 LYS A 17 2.182 7.851 11.652 1.00 62.00 H new ATOM 0 HZ3 LYS A 17 2.220 9.158 10.568 1.00 62.00 H new ATOM 238 N CYS A 18 3.576 6.036 4.651 1.00 5.30 N ATOM 239 CA CYS A 18 4.624 6.243 3.658 1.00 12.05 C ATOM 240 C CYS A 18 5.807 6.992 4.266 1.00 21.02 C ATOM 241 O CYS A 18 5.763 8.211 4.435 1.00 2.14 O ATOM 242 CB CYS A 18 4.074 7.021 2.461 1.00 45.32 C ATOM 243 SG CYS A 18 5.320 7.411 1.191 1.00 51.34 S ATOM 0 H CYS A 18 3.058 6.879 4.900 1.00 5.30 H new ATOM 0 HA CYS A 18 4.969 5.266 3.320 1.00 12.05 H new ATOM 0 HB2 CYS A 18 3.272 6.442 2.002 1.00 45.32 H new ATOM 0 HB3 CYS A 18 3.631 7.951 2.818 1.00 45.32 H new ATOM 247 N LYS A 19 6.863 6.254 4.591 1.00 33.21 N ATOM 248 CA LYS A 19 8.058 6.847 5.176 1.00 52.55 C ATOM 249 C LYS A 19 8.530 8.045 4.359 1.00 45.44 C ATOM 250 O LYS A 19 8.750 7.937 3.153 1.00 51.05 O ATOM 251 CB LYS A 19 9.177 5.805 5.268 1.00 74.20 C ATOM 252 CG LYS A 19 8.723 4.476 5.844 1.00 14.22 C ATOM 253 CD LYS A 19 8.060 4.652 7.199 1.00 22.45 C ATOM 254 CE LYS A 19 9.046 5.152 8.244 1.00 73.34 C ATOM 255 NZ LYS A 19 8.366 5.543 9.509 1.00 42.44 N ATOM 0 H LYS A 19 6.915 5.244 4.459 1.00 33.21 H new ATOM 0 HA LYS A 19 7.807 7.192 6.179 1.00 52.55 H new ATOM 0 HB2 LYS A 19 9.590 5.638 4.273 1.00 74.20 H new ATOM 0 HB3 LYS A 19 9.983 6.203 5.885 1.00 74.20 H new ATOM 0 HG2 LYS A 19 8.025 4.000 5.156 1.00 14.22 H new ATOM 0 HG3 LYS A 19 9.580 3.809 5.941 1.00 14.22 H new ATOM 0 HD2 LYS A 19 7.233 5.357 7.111 1.00 22.45 H new ATOM 0 HD3 LYS A 19 7.636 3.702 7.523 1.00 22.45 H new ATOM 0 HE2 LYS A 19 9.780 4.373 8.452 1.00 73.34 H new ATOM 0 HE3 LYS A 19 9.593 6.007 7.847 1.00 73.34 H new ATOM 0 HZ1 LYS A 19 9.073 5.878 10.194 1.00 42.44 H new ATOM 0 HZ2 LYS A 19 7.684 6.304 9.316 1.00 42.44 H new ATOM 0 HZ3 LYS A 19 7.865 4.721 9.902 1.00 42.44 H new ATOM 265 N GLY A 20 8.687 9.186 5.022 1.00 25.03 N ATOM 266 CA GLY A 20 9.133 10.386 4.340 1.00 1.14 C ATOM 267 C GLY A 20 8.176 11.547 4.525 1.00 31.23 C ATOM 268 O GLY A 20 8.598 12.671 4.797 1.00 65.11 O ATOM 0 H GLY A 20 8.513 9.301 6.020 1.00 25.03 H new ATOM 0 HA2 GLY A 20 10.118 10.668 4.713 1.00 1.14 H new ATOM 0 HA3 GLY A 20 9.243 10.176 3.276 1.00 1.14 H new ATOM 272 N ALA A 21 6.883 11.276 4.375 1.00 33.51 N ATOM 273 CA ALA A 21 5.864 12.309 4.528 1.00 72.03 C ATOM 274 C ALA A 21 5.363 12.376 5.966 1.00 25.53 C ATOM 275 O ALA A 21 4.894 11.389 6.532 1.00 72.01 O ATOM 276 CB ALA A 21 4.707 12.052 3.574 1.00 43.40 C ATOM 0 H ALA A 21 6.517 10.352 4.148 1.00 33.51 H new ATOM 0 HA ALA A 21 6.315 13.271 4.284 1.00 72.03 H new ATOM 0 HB1 ALA A 21 3.953 12.830 3.698 1.00 43.40 H new ATOM 0 HB2 ALA A 21 5.073 12.062 2.547 1.00 43.40 H new ATOM 0 HB3 ALA A 21 4.265 11.080 3.792 1.00 43.40 H new ATOM 282 N PRO A 22 5.462 13.568 6.573 1.00 44.22 N ATOM 283 CA PRO A 22 5.022 13.792 7.953 1.00 32.15 C ATOM 284 C PRO A 22 3.506 13.736 8.095 1.00 20.04 C ATOM 285 O PRO A 22 2.807 13.241 7.211 1.00 4.44 O ATOM 286 CB PRO A 22 5.536 15.200 8.264 1.00 71.10 C ATOM 287 CG PRO A 22 5.639 15.868 6.938 1.00 70.44 C ATOM 288 CD PRO A 22 6.008 14.789 5.958 1.00 20.32 C ATOM 0 HA PRO A 22 5.399 13.026 8.630 1.00 32.15 H new ATOM 0 HB2 PRO A 22 4.852 15.734 8.924 1.00 71.10 H new ATOM 0 HB3 PRO A 22 6.503 15.166 8.766 1.00 71.10 H new ATOM 0 HG2 PRO A 22 4.695 16.338 6.664 1.00 70.44 H new ATOM 0 HG3 PRO A 22 6.394 16.654 6.955 1.00 70.44 H new ATOM 0 HD2 PRO A 22 5.573 14.973 4.975 1.00 20.32 H new ATOM 0 HD3 PRO A 22 7.087 14.722 5.822 1.00 20.32 H new ATOM 293 N LYS A 23 3.001 14.247 9.214 1.00 61.22 N ATOM 294 CA LYS A 23 1.566 14.257 9.472 1.00 41.11 C ATOM 295 C LYS A 23 0.801 14.795 8.267 1.00 34.14 C ATOM 296 O LYS A 23 -0.188 14.204 7.832 1.00 32.05 O ATOM 297 CB LYS A 23 1.256 15.104 10.707 1.00 14.34 C ATOM 298 CG LYS A 23 2.019 16.416 10.754 1.00 72.43 C ATOM 299 CD LYS A 23 2.855 16.530 12.017 1.00 54.51 C ATOM 300 CE LYS A 23 2.016 16.976 13.204 1.00 61.12 C ATOM 301 NZ LYS A 23 1.134 15.883 13.701 1.00 63.04 N ATOM 0 H LYS A 23 3.565 14.660 9.957 1.00 61.22 H new ATOM 0 HA LYS A 23 1.247 13.231 9.654 1.00 41.11 H new ATOM 0 HB2 LYS A 23 0.187 15.314 10.733 1.00 14.34 H new ATOM 0 HB3 LYS A 23 1.489 14.526 11.601 1.00 14.34 H new ATOM 0 HG2 LYS A 23 2.666 16.493 9.880 1.00 72.43 H new ATOM 0 HG3 LYS A 23 1.317 17.248 10.705 1.00 72.43 H new ATOM 0 HD2 LYS A 23 3.316 15.567 12.237 1.00 54.51 H new ATOM 0 HD3 LYS A 23 3.665 17.241 11.855 1.00 54.51 H new ATOM 0 HE2 LYS A 23 2.672 17.308 14.009 1.00 61.12 H new ATOM 0 HE3 LYS A 23 1.406 17.833 12.917 1.00 61.12 H new ATOM 0 HZ1 LYS A 23 0.855 16.081 14.683 1.00 63.04 H new ATOM 0 HZ2 LYS A 23 0.284 15.825 13.105 1.00 63.04 H new ATOM 0 HZ3 LYS A 23 1.646 14.979 13.662 1.00 63.04 H new ATOM 311 N LYS A 24 1.264 15.919 7.731 1.00 0.54 N ATOM 312 CA LYS A 24 0.625 16.537 6.576 1.00 44.42 C ATOM 313 C LYS A 24 1.455 16.320 5.315 1.00 71.31 C ATOM 314 O LYS A 24 2.682 16.225 5.359 1.00 13.54 O ATOM 315 CB LYS A 24 0.424 18.034 6.816 1.00 15.21 C ATOM 316 CG LYS A 24 1.622 18.880 6.419 1.00 43.24 C ATOM 317 CD LYS A 24 2.829 18.584 7.295 1.00 32.21 C ATOM 318 CE LYS A 24 3.686 19.824 7.500 1.00 23.23 C ATOM 319 NZ LYS A 24 3.126 20.717 8.552 1.00 3.02 N ATOM 0 H LYS A 24 2.081 16.421 8.079 1.00 0.54 H new ATOM 0 HA LYS A 24 -0.348 16.066 6.436 1.00 44.42 H new ATOM 0 HB2 LYS A 24 -0.449 18.369 6.256 1.00 15.21 H new ATOM 0 HB3 LYS A 24 0.207 18.198 7.872 1.00 15.21 H new ATOM 0 HG2 LYS A 24 1.873 18.690 5.376 1.00 43.24 H new ATOM 0 HG3 LYS A 24 1.365 19.936 6.497 1.00 43.24 H new ATOM 0 HD2 LYS A 24 2.495 18.207 8.262 1.00 32.21 H new ATOM 0 HD3 LYS A 24 3.429 17.798 6.837 1.00 32.21 H new ATOM 0 HE2 LYS A 24 4.697 19.525 7.778 1.00 23.23 H new ATOM 0 HE3 LYS A 24 3.762 20.372 6.561 1.00 23.23 H new ATOM 0 HZ1 LYS A 24 3.738 21.550 8.662 1.00 3.02 H new ATOM 0 HZ2 LYS A 24 2.171 21.023 8.276 1.00 3.02 H new ATOM 0 HZ3 LYS A 24 3.077 20.202 9.454 1.00 3.02 H new ATOM 366 N ARG A 28 4.584 16.804 -3.673 1.00 71.40 N ATOM 367 CA ARG A 28 3.926 15.771 -4.464 1.00 12.41 C ATOM 368 C ARG A 28 4.646 14.434 -4.319 1.00 24.35 C ATOM 369 O ARG A 28 5.874 14.368 -4.370 1.00 71.00 O ATOM 370 CB ARG A 28 3.878 16.179 -5.937 1.00 35.30 C ATOM 371 CG ARG A 28 2.934 17.338 -6.218 1.00 61.12 C ATOM 372 CD ARG A 28 3.173 17.928 -7.599 1.00 32.41 C ATOM 373 NE ARG A 28 4.540 18.418 -7.756 1.00 4.11 N ATOM 374 CZ ARG A 28 5.054 18.800 -8.919 1.00 42.03 C ATOM 375 NH1 ARG A 28 4.320 18.749 -10.022 1.00 22.42 N ATOM 376 NH2 ARG A 28 6.307 19.235 -8.981 1.00 64.04 N ATOM 0 HA ARG A 28 2.908 15.658 -4.092 1.00 12.41 H new ATOM 0 HB2 ARG A 28 4.882 16.452 -6.263 1.00 35.30 H new ATOM 0 HB3 ARG A 28 3.572 15.320 -6.534 1.00 35.30 H new ATOM 0 HG2 ARG A 28 1.902 16.995 -6.141 1.00 61.12 H new ATOM 0 HG3 ARG A 28 3.070 18.111 -5.462 1.00 61.12 H new ATOM 0 HD2 ARG A 28 2.970 17.171 -8.357 1.00 32.41 H new ATOM 0 HD3 ARG A 28 2.473 18.746 -7.770 1.00 32.41 H new ATOM 0 HE ARG A 28 5.132 18.470 -6.927 1.00 4.11 H new ATOM 0 HH11 ARG A 28 3.357 18.415 -9.979 1.00 22.42 H new ATOM 0 HH12 ARG A 28 4.718 19.043 -10.914 1.00 22.42 H new ATOM 0 HH21 ARG A 28 6.875 19.276 -8.135 1.00 64.04 H new ATOM 0 HH22 ARG A 28 6.701 19.528 -9.875 1.00 64.04 H new ATOM 387 N LEU A 29 3.872 13.369 -4.137 1.00 64.12 N ATOM 388 CA LEU A 29 4.436 12.032 -3.984 1.00 22.34 C ATOM 389 C LEU A 29 3.659 11.015 -4.814 1.00 44.12 C ATOM 390 O LEU A 29 2.539 11.280 -5.247 1.00 25.42 O ATOM 391 CB LEU A 29 4.424 11.618 -2.511 1.00 12.23 C ATOM 392 CG LEU A 29 3.125 10.995 -1.999 1.00 1.13 C ATOM 393 CD1 LEU A 29 3.127 9.490 -2.228 1.00 74.34 C ATOM 394 CD2 LEU A 29 2.928 11.312 -0.523 1.00 44.42 C ATOM 0 H LEU A 29 2.854 13.405 -4.092 1.00 64.12 H new ATOM 0 HA LEU A 29 5.465 12.056 -4.341 1.00 22.34 H new ATOM 0 HB2 LEU A 29 5.234 10.907 -2.348 1.00 12.23 H new ATOM 0 HB3 LEU A 29 4.645 12.497 -1.906 1.00 12.23 H new ATOM 0 HG LEU A 29 2.293 11.425 -2.557 1.00 1.13 H new ATOM 0 HD11 LEU A 29 2.195 9.064 -1.857 1.00 74.34 H new ATOM 0 HD12 LEU A 29 3.221 9.284 -3.294 1.00 74.34 H new ATOM 0 HD13 LEU A 29 3.967 9.042 -1.697 1.00 74.34 H new ATOM 0 HD21 LEU A 29 1.999 10.861 -0.175 1.00 44.42 H new ATOM 0 HD22 LEU A 29 3.763 10.910 0.050 1.00 44.42 H new ATOM 0 HD23 LEU A 29 2.881 12.392 -0.386 1.00 44.42 H new ATOM 405 N GLU A 30 4.263 9.851 -5.032 1.00 63.03 N ATOM 406 CA GLU A 30 3.627 8.795 -5.810 1.00 63.24 C ATOM 407 C GLU A 30 3.468 7.526 -4.978 1.00 70.04 C ATOM 408 O GLU A 30 4.278 7.245 -4.096 1.00 0.34 O ATOM 409 CB GLU A 30 4.445 8.495 -7.069 1.00 3.33 C ATOM 410 CG GLU A 30 3.645 7.814 -8.167 1.00 53.13 C ATOM 411 CD GLU A 30 2.704 8.767 -8.878 1.00 62.22 C ATOM 412 OE1 GLU A 30 3.193 9.628 -9.640 1.00 53.41 O ATOM 413 OE2 GLU A 30 1.476 8.651 -8.675 1.00 43.12 O ATOM 0 H GLU A 30 5.191 9.616 -4.681 1.00 63.03 H new ATOM 0 HA GLU A 30 2.636 9.142 -6.104 1.00 63.24 H new ATOM 0 HB2 GLU A 30 4.856 9.428 -7.456 1.00 3.33 H new ATOM 0 HB3 GLU A 30 5.290 7.861 -6.800 1.00 3.33 H new ATOM 0 HG2 GLU A 30 4.330 7.376 -8.893 1.00 53.13 H new ATOM 0 HG3 GLU A 30 3.070 6.994 -7.737 1.00 53.13 H new ATOM 418 N TRP A 31 2.420 6.764 -5.266 1.00 45.24 N ATOM 419 CA TRP A 31 2.155 5.523 -4.545 1.00 32.43 C ATOM 420 C TRP A 31 1.972 4.359 -5.512 1.00 71.41 C ATOM 421 O TRP A 31 1.399 4.518 -6.590 1.00 74.01 O ATOM 422 CB TRP A 31 0.910 5.677 -3.669 1.00 65.10 C ATOM 423 CG TRP A 31 1.225 5.923 -2.225 1.00 52.03 C ATOM 424 CD1 TRP A 31 1.863 5.070 -1.368 1.00 72.42 C ATOM 425 CD2 TRP A 31 0.917 7.100 -1.469 1.00 41.22 C ATOM 426 NE1 TRP A 31 1.969 5.647 -0.126 1.00 2.20 N ATOM 427 CE2 TRP A 31 1.397 6.891 -0.161 1.00 54.32 C ATOM 428 CE3 TRP A 31 0.284 8.308 -1.770 1.00 72.24 C ATOM 429 CZ2 TRP A 31 1.262 7.847 0.842 1.00 33.24 C ATOM 430 CZ3 TRP A 31 0.151 9.256 -0.772 1.00 2.00 C ATOM 431 CH2 TRP A 31 0.639 9.022 0.520 1.00 4.31 C ATOM 0 H TRP A 31 1.739 6.983 -5.993 1.00 45.24 H new ATOM 0 HA TRP A 31 3.015 5.309 -3.910 1.00 32.43 H new ATOM 0 HB2 TRP A 31 0.308 6.503 -4.048 1.00 65.10 H new ATOM 0 HB3 TRP A 31 0.303 4.776 -3.752 1.00 65.10 H new ATOM 0 HD1 TRP A 31 2.229 4.088 -1.629 1.00 72.42 H new ATOM 0 HE1 TRP A 31 2.404 5.218 0.691 1.00 2.20 H new ATOM 0 HE3 TRP A 31 -0.094 8.498 -2.763 1.00 72.24 H new ATOM 0 HZ2 TRP A 31 1.636 7.668 1.839 1.00 33.24 H new ATOM 0 HZ3 TRP A 31 -0.338 10.193 -0.993 1.00 2.00 H new ATOM 0 HH2 TRP A 31 0.521 9.784 1.277 1.00 4.31 H new ATOM 441 N LYS A 32 2.461 3.189 -5.120 1.00 42.03 N ATOM 442 CA LYS A 32 2.352 1.996 -5.952 1.00 2.41 C ATOM 443 C LYS A 32 2.107 0.757 -5.095 1.00 0.02 C ATOM 444 O LYS A 32 2.684 0.611 -4.016 1.00 32.30 O ATOM 445 CB LYS A 32 3.622 1.811 -6.785 1.00 61.23 C ATOM 446 CG LYS A 32 3.640 2.641 -8.057 1.00 11.13 C ATOM 447 CD LYS A 32 4.867 2.339 -8.901 1.00 3.04 C ATOM 448 CE LYS A 32 6.045 3.215 -8.505 1.00 51.53 C ATOM 449 NZ LYS A 32 6.982 3.433 -9.642 1.00 45.55 N ATOM 0 H LYS A 32 2.937 3.040 -4.230 1.00 42.03 H new ATOM 0 HA LYS A 32 1.503 2.127 -6.622 1.00 2.41 H new ATOM 0 HB2 LYS A 32 4.487 2.074 -6.177 1.00 61.23 H new ATOM 0 HB3 LYS A 32 3.725 0.758 -7.047 1.00 61.23 H new ATOM 0 HG2 LYS A 32 2.739 2.440 -8.637 1.00 11.13 H new ATOM 0 HG3 LYS A 32 3.624 3.701 -7.802 1.00 11.13 H new ATOM 0 HD2 LYS A 32 5.138 1.289 -8.788 1.00 3.04 H new ATOM 0 HD3 LYS A 32 4.633 2.496 -9.954 1.00 3.04 H new ATOM 0 HE2 LYS A 32 5.678 4.177 -8.148 1.00 51.53 H new ATOM 0 HE3 LYS A 32 6.581 2.751 -7.677 1.00 51.53 H new ATOM 0 HZ1 LYS A 32 7.771 4.035 -9.331 1.00 45.55 H new ATOM 0 HZ2 LYS A 32 7.352 2.517 -9.967 1.00 45.55 H new ATOM 0 HZ3 LYS A 32 6.478 3.899 -10.423 1.00 45.55 H new ATOM 459 N LEU A 33 1.252 -0.135 -5.583 1.00 32.11 N ATOM 460 CA LEU A 33 0.933 -1.362 -4.863 1.00 65.03 C ATOM 461 C LEU A 33 0.882 -2.554 -5.814 1.00 44.43 C ATOM 462 O LEU A 33 0.265 -2.487 -6.876 1.00 31.31 O ATOM 463 CB LEU A 33 -0.405 -1.219 -4.137 1.00 11.44 C ATOM 464 CG LEU A 33 -1.029 -2.513 -3.614 1.00 61.30 C ATOM 465 CD1 LEU A 33 -1.681 -3.287 -4.749 1.00 62.41 C ATOM 466 CD2 LEU A 33 0.021 -3.369 -2.919 1.00 11.12 C ATOM 0 H LEU A 33 0.767 -0.031 -6.474 1.00 32.11 H new ATOM 0 HA LEU A 33 1.720 -1.538 -4.130 1.00 65.03 H new ATOM 0 HB2 LEU A 33 -0.268 -0.540 -3.295 1.00 11.44 H new ATOM 0 HB3 LEU A 33 -1.115 -0.746 -4.816 1.00 11.44 H new ATOM 0 HG LEU A 33 -1.799 -2.254 -2.887 1.00 61.30 H new ATOM 0 HD11 LEU A 33 -2.120 -4.205 -4.358 1.00 62.41 H new ATOM 0 HD12 LEU A 33 -2.461 -2.677 -5.204 1.00 62.41 H new ATOM 0 HD13 LEU A 33 -0.930 -3.535 -5.499 1.00 62.41 H new ATOM 0 HD21 LEU A 33 -0.441 -4.286 -2.553 1.00 11.12 H new ATOM 0 HD22 LEU A 33 0.813 -3.618 -3.625 1.00 11.12 H new ATOM 0 HD23 LEU A 33 0.444 -2.816 -2.080 1.00 11.12 H new ATOM 477 N ASN A 34 1.535 -3.644 -5.425 1.00 1.24 N ATOM 478 CA ASN A 34 1.562 -4.852 -6.242 1.00 51.21 C ATOM 479 C ASN A 34 0.846 -6.001 -5.539 1.00 64.25 C ATOM 480 O ASN A 34 1.220 -6.400 -4.436 1.00 14.31 O ATOM 481 CB ASN A 34 3.007 -5.250 -6.551 1.00 2.32 C ATOM 482 CG ASN A 34 3.097 -6.576 -7.281 1.00 12.03 C ATOM 483 OD1 ASN A 34 3.069 -7.641 -6.663 1.00 20.24 O ATOM 484 ND2 ASN A 34 3.208 -6.517 -8.603 1.00 4.04 N ATOM 0 H ASN A 34 2.053 -3.716 -4.549 1.00 1.24 H new ATOM 0 HA ASN A 34 1.042 -4.641 -7.176 1.00 51.21 H new ATOM 0 HB2 ASN A 34 3.474 -4.473 -7.156 1.00 2.32 H new ATOM 0 HB3 ASN A 34 3.571 -5.311 -5.620 1.00 2.32 H new ATOM 0 HD21 ASN A 34 3.274 -7.377 -9.148 1.00 4.04 H new ATOM 0 HD22 ASN A 34 3.227 -5.612 -9.073 1.00 4.04 H new ATOM 490 N THR A 35 -0.188 -6.531 -6.187 1.00 52.31 N ATOM 491 CA THR A 35 -0.958 -7.633 -5.626 1.00 2.21 C ATOM 492 C THR A 35 -1.308 -8.661 -6.696 1.00 55.12 C ATOM 493 O THR A 35 -0.955 -8.500 -7.863 1.00 31.24 O ATOM 494 CB THR A 35 -2.256 -7.132 -4.966 1.00 22.23 C ATOM 495 OG1 THR A 35 -3.008 -6.348 -5.899 1.00 33.34 O ATOM 496 CG2 THR A 35 -1.951 -6.304 -3.728 1.00 51.01 C ATOM 0 H THR A 35 -0.511 -6.214 -7.101 1.00 52.31 H new ATOM 0 HA THR A 35 -0.331 -8.102 -4.868 1.00 2.21 H new ATOM 0 HB THR A 35 -2.843 -8.000 -4.665 1.00 22.23 H new ATOM 0 HG1 THR A 35 -3.833 -6.034 -5.473 1.00 33.34 H new ATOM 0 HG21 THR A 35 -2.884 -5.962 -3.280 1.00 51.01 H new ATOM 0 HG22 THR A 35 -1.405 -6.914 -3.008 1.00 51.01 H new ATOM 0 HG23 THR A 35 -1.345 -5.442 -4.007 1.00 51.01 H new ATOM 504 N GLY A 36 -2.005 -9.719 -6.289 1.00 60.42 N ATOM 505 CA GLY A 36 -2.390 -10.756 -7.227 1.00 1.35 C ATOM 506 C GLY A 36 -1.235 -11.666 -7.593 1.00 52.03 C ATOM 507 O GLY A 36 -0.535 -12.175 -6.718 1.00 51.30 O ATOM 0 H GLY A 36 -2.309 -9.875 -5.328 1.00 60.42 H new ATOM 0 HA2 GLY A 36 -3.195 -11.351 -6.795 1.00 1.35 H new ATOM 0 HA3 GLY A 36 -2.785 -10.294 -8.132 1.00 1.35 H new ATOM 511 N ARG A 37 -1.034 -11.873 -8.891 1.00 63.31 N ATOM 512 CA ARG A 37 0.043 -12.730 -9.372 1.00 11.44 C ATOM 513 C ARG A 37 1.099 -11.913 -10.110 1.00 33.30 C ATOM 514 O ARG A 37 2.296 -12.176 -9.994 1.00 61.05 O ATOM 515 CB ARG A 37 -0.514 -13.817 -10.292 1.00 22.14 C ATOM 516 CG ARG A 37 0.206 -15.149 -10.166 1.00 41.14 C ATOM 517 CD ARG A 37 0.037 -15.747 -8.778 1.00 21.10 C ATOM 518 NE ARG A 37 0.067 -17.206 -8.804 1.00 44.23 N ATOM 519 CZ ARG A 37 1.159 -17.915 -9.073 1.00 1.35 C ATOM 520 NH1 ARG A 37 2.303 -17.300 -9.339 1.00 34.14 N ATOM 521 NH2 ARG A 37 1.107 -19.241 -9.077 1.00 20.44 N ATOM 0 H ARG A 37 -1.604 -11.458 -9.629 1.00 63.31 H new ATOM 0 HA ARG A 37 0.512 -13.201 -8.509 1.00 11.44 H new ATOM 0 HB2 ARG A 37 -1.571 -13.963 -10.070 1.00 22.14 H new ATOM 0 HB3 ARG A 37 -0.450 -13.475 -11.325 1.00 22.14 H new ATOM 0 HG2 ARG A 37 -0.180 -15.844 -10.912 1.00 41.14 H new ATOM 0 HG3 ARG A 37 1.267 -15.012 -10.377 1.00 41.14 H new ATOM 0 HD2 ARG A 37 0.830 -15.380 -8.126 1.00 21.10 H new ATOM 0 HD3 ARG A 37 -0.908 -15.411 -8.351 1.00 21.10 H new ATOM 0 HE ARG A 37 -0.797 -17.709 -8.605 1.00 44.23 H new ATOM 0 HH11 ARG A 37 2.347 -16.281 -9.338 1.00 34.14 H new ATOM 0 HH12 ARG A 37 3.140 -17.846 -9.545 1.00 34.14 H new ATOM 0 HH21 ARG A 37 0.228 -19.718 -8.874 1.00 20.44 H new ATOM 0 HH22 ARG A 37 1.946 -19.784 -9.284 1.00 20.44 H new ATOM 532 N THR A 38 0.646 -10.922 -10.871 1.00 52.23 N ATOM 533 CA THR A 38 1.551 -10.068 -11.632 1.00 30.34 C ATOM 534 C THR A 38 0.781 -9.015 -12.420 1.00 14.05 C ATOM 535 O THR A 38 1.279 -7.914 -12.654 1.00 12.34 O ATOM 536 CB THR A 38 2.415 -10.891 -12.605 1.00 35.14 C ATOM 537 OG1 THR A 38 3.509 -10.098 -13.078 1.00 51.43 O ATOM 538 CG2 THR A 38 1.587 -11.378 -13.785 1.00 53.02 C ATOM 0 H THR A 38 -0.342 -10.691 -10.977 1.00 52.23 H new ATOM 0 HA THR A 38 2.201 -9.574 -10.910 1.00 30.34 H new ATOM 0 HB THR A 38 2.800 -11.759 -12.070 1.00 35.14 H new ATOM 0 HG1 THR A 38 4.055 -10.629 -13.695 1.00 51.43 H new ATOM 0 HG21 THR A 38 2.219 -11.957 -14.459 1.00 53.02 H new ATOM 0 HG22 THR A 38 0.772 -12.005 -13.423 1.00 53.02 H new ATOM 0 HG23 THR A 38 1.176 -10.521 -14.319 1.00 53.02 H new ATOM 546 N GLU A 39 -0.437 -9.359 -12.827 1.00 14.21 N ATOM 547 CA GLU A 39 -1.275 -8.442 -13.588 1.00 63.34 C ATOM 548 C GLU A 39 -2.350 -7.821 -12.702 1.00 42.22 C ATOM 549 O GLU A 39 -3.462 -7.550 -13.152 1.00 4.22 O ATOM 550 CB GLU A 39 -1.930 -9.172 -14.765 1.00 14.10 C ATOM 551 CG GLU A 39 -0.945 -9.598 -15.841 1.00 33.24 C ATOM 552 CD GLU A 39 -1.426 -10.799 -16.630 1.00 41.12 C ATOM 553 OE1 GLU A 39 -2.588 -10.782 -17.088 1.00 53.13 O ATOM 554 OE2 GLU A 39 -0.641 -11.758 -16.789 1.00 35.41 O ATOM 0 H GLU A 39 -0.865 -10.266 -12.642 1.00 14.21 H new ATOM 0 HA GLU A 39 -0.639 -7.644 -13.971 1.00 63.34 H new ATOM 0 HB2 GLU A 39 -2.450 -10.054 -14.391 1.00 14.10 H new ATOM 0 HB3 GLU A 39 -2.684 -8.523 -15.211 1.00 14.10 H new ATOM 0 HG2 GLU A 39 -0.775 -8.765 -16.523 1.00 33.24 H new ATOM 0 HG3 GLU A 39 0.014 -9.832 -15.378 1.00 33.24 H new ATOM 559 N ALA A 40 -2.008 -7.597 -11.437 1.00 40.34 N ATOM 560 CA ALA A 40 -2.940 -7.008 -10.485 1.00 23.41 C ATOM 561 C ALA A 40 -2.366 -5.736 -9.870 1.00 74.11 C ATOM 562 O ALA A 40 -3.053 -5.024 -9.139 1.00 1.12 O ATOM 563 CB ALA A 40 -3.291 -8.011 -9.397 1.00 41.14 C ATOM 0 H ALA A 40 -1.091 -7.815 -11.048 1.00 40.34 H new ATOM 0 HA ALA A 40 -3.850 -6.742 -11.024 1.00 23.41 H new ATOM 0 HB1 ALA A 40 -3.988 -7.556 -8.694 1.00 41.14 H new ATOM 0 HB2 ALA A 40 -3.752 -8.890 -9.847 1.00 41.14 H new ATOM 0 HB3 ALA A 40 -2.385 -8.307 -8.869 1.00 41.14 H new ATOM 569 N TRP A 41 -1.103 -5.457 -10.170 1.00 72.43 N ATOM 570 CA TRP A 41 -0.436 -4.271 -9.645 1.00 12.11 C ATOM 571 C TRP A 41 -1.091 -3.000 -10.174 1.00 1.34 C ATOM 572 O TRP A 41 -1.317 -2.858 -11.375 1.00 11.22 O ATOM 573 CB TRP A 41 1.048 -4.288 -10.018 1.00 31.45 C ATOM 574 CG TRP A 41 1.296 -4.049 -11.477 1.00 74.31 C ATOM 575 CD1 TRP A 41 0.936 -4.861 -12.513 1.00 3.23 C ATOM 576 CD2 TRP A 41 1.961 -2.922 -12.059 1.00 62.42 C ATOM 577 NE1 TRP A 41 1.336 -4.308 -13.706 1.00 42.45 N ATOM 578 CE2 TRP A 41 1.967 -3.119 -13.455 1.00 34.45 C ATOM 579 CE3 TRP A 41 2.549 -1.767 -11.540 1.00 12.41 C ATOM 580 CZ2 TRP A 41 2.540 -2.201 -14.332 1.00 1.13 C ATOM 581 CZ3 TRP A 41 3.119 -0.859 -12.411 1.00 22.04 C ATOM 582 CH2 TRP A 41 3.110 -1.079 -13.795 1.00 1.35 C ATOM 0 H TRP A 41 -0.520 -6.036 -10.774 1.00 72.43 H new ATOM 0 HA TRP A 41 -0.531 -4.282 -8.559 1.00 12.11 H new ATOM 0 HB2 TRP A 41 1.570 -3.526 -9.438 1.00 31.45 H new ATOM 0 HB3 TRP A 41 1.475 -5.251 -9.737 1.00 31.45 H new ATOM 0 HD1 TRP A 41 0.413 -5.801 -12.410 1.00 3.23 H new ATOM 0 HE1 TRP A 41 1.187 -4.717 -14.628 1.00 42.45 H new ATOM 0 HE3 TRP A 41 2.558 -1.586 -10.475 1.00 12.41 H new ATOM 0 HZ2 TRP A 41 2.535 -2.369 -15.399 1.00 1.13 H new ATOM 0 HZ3 TRP A 41 3.579 0.036 -12.019 1.00 22.04 H new ATOM 0 HH2 TRP A 41 3.562 -0.349 -14.450 1.00 1.35 H new ATOM 592 N LYS A 42 -1.394 -2.075 -9.267 1.00 63.34 N ATOM 593 CA LYS A 42 -2.022 -0.814 -9.641 1.00 63.10 C ATOM 594 C LYS A 42 -1.268 0.368 -9.044 1.00 14.32 C ATOM 595 O LYS A 42 -0.611 0.241 -8.009 1.00 1.41 O ATOM 596 CB LYS A 42 -3.480 -0.790 -9.176 1.00 30.21 C ATOM 597 CG LYS A 42 -4.097 -2.170 -9.035 1.00 42.42 C ATOM 598 CD LYS A 42 -3.896 -2.731 -7.637 1.00 13.31 C ATOM 599 CE LYS A 42 -4.659 -1.924 -6.597 1.00 74.22 C ATOM 600 NZ LYS A 42 -6.076 -1.701 -7.000 1.00 34.41 N ATOM 0 H LYS A 42 -1.214 -2.176 -8.268 1.00 63.34 H new ATOM 0 HA LYS A 42 -1.991 -0.730 -10.727 1.00 63.10 H new ATOM 0 HB2 LYS A 42 -3.538 -0.276 -8.217 1.00 30.21 H new ATOM 0 HB3 LYS A 42 -4.069 -0.209 -9.885 1.00 30.21 H new ATOM 0 HG2 LYS A 42 -5.163 -2.117 -9.257 1.00 42.42 H new ATOM 0 HG3 LYS A 42 -3.652 -2.845 -9.766 1.00 42.42 H new ATOM 0 HD2 LYS A 42 -4.228 -3.769 -7.609 1.00 13.31 H new ATOM 0 HD3 LYS A 42 -2.834 -2.730 -7.393 1.00 13.31 H new ATOM 0 HE2 LYS A 42 -4.631 -2.445 -5.640 1.00 74.22 H new ATOM 0 HE3 LYS A 42 -4.167 -0.962 -6.451 1.00 74.22 H new ATOM 0 HZ1 LYS A 42 -6.635 -1.429 -6.167 1.00 34.41 H new ATOM 0 HZ2 LYS A 42 -6.120 -0.942 -7.710 1.00 34.41 H new ATOM 0 HZ3 LYS A 42 -6.463 -2.577 -7.406 1.00 34.41 H new ATOM 610 N VAL A 43 -1.364 1.520 -9.700 1.00 52.11 N ATOM 611 CA VAL A 43 -0.692 2.726 -9.232 1.00 3.01 C ATOM 612 C VAL A 43 -1.616 3.566 -8.358 1.00 34.30 C ATOM 613 O VAL A 43 -2.683 3.996 -8.798 1.00 64.10 O ATOM 614 CB VAL A 43 -0.196 3.585 -10.411 1.00 0.40 C ATOM 615 CG1 VAL A 43 0.578 4.793 -9.902 1.00 45.11 C ATOM 616 CG2 VAL A 43 0.658 2.753 -11.355 1.00 5.22 C ATOM 0 H VAL A 43 -1.901 1.643 -10.558 1.00 52.11 H new ATOM 0 HA VAL A 43 0.165 2.402 -8.642 1.00 3.01 H new ATOM 0 HB VAL A 43 -1.062 3.945 -10.966 1.00 0.40 H new ATOM 0 HG11 VAL A 43 0.921 5.388 -10.748 1.00 45.11 H new ATOM 0 HG12 VAL A 43 -0.070 5.400 -9.270 1.00 45.11 H new ATOM 0 HG13 VAL A 43 1.438 4.457 -9.323 1.00 45.11 H new ATOM 0 HG21 VAL A 43 0.999 3.376 -12.182 1.00 5.22 H new ATOM 0 HG22 VAL A 43 1.520 2.361 -10.816 1.00 5.22 H new ATOM 0 HG23 VAL A 43 0.067 1.924 -11.745 1.00 5.22 H new ATOM 626 N LEU A 44 -1.200 3.797 -7.119 1.00 14.14 N ATOM 627 CA LEU A 44 -1.990 4.587 -6.180 1.00 64.31 C ATOM 628 C LEU A 44 -1.553 6.048 -6.197 1.00 22.15 C ATOM 629 O LEU A 44 -0.389 6.357 -6.450 1.00 24.21 O ATOM 630 CB LEU A 44 -1.856 4.020 -4.766 1.00 1.14 C ATOM 631 CG LEU A 44 -2.895 2.971 -4.364 1.00 15.42 C ATOM 632 CD1 LEU A 44 -4.218 3.636 -4.013 1.00 42.21 C ATOM 633 CD2 LEU A 44 -3.087 1.955 -5.479 1.00 42.51 C ATOM 0 H LEU A 44 -0.320 3.449 -6.740 1.00 14.14 H new ATOM 0 HA LEU A 44 -3.034 4.535 -6.488 1.00 64.31 H new ATOM 0 HB2 LEU A 44 -0.865 3.578 -4.665 1.00 1.14 H new ATOM 0 HB3 LEU A 44 -1.910 4.847 -4.058 1.00 1.14 H new ATOM 0 HG LEU A 44 -2.530 2.447 -3.481 1.00 15.42 H new ATOM 0 HD11 LEU A 44 -4.944 2.874 -3.730 1.00 42.21 H new ATOM 0 HD12 LEU A 44 -4.070 4.324 -3.180 1.00 42.21 H new ATOM 0 HD13 LEU A 44 -4.589 4.187 -4.877 1.00 42.21 H new ATOM 0 HD21 LEU A 44 -3.829 1.217 -5.175 1.00 42.51 H new ATOM 0 HD22 LEU A 44 -3.429 2.464 -6.380 1.00 42.51 H new ATOM 0 HD23 LEU A 44 -2.140 1.455 -5.682 1.00 42.51 H new ATOM 644 N SER A 45 -2.496 6.945 -5.924 1.00 14.25 N ATOM 645 CA SER A 45 -2.209 8.375 -5.909 1.00 11.03 C ATOM 646 C SER A 45 -2.541 8.981 -4.548 1.00 21.32 C ATOM 647 O SER A 45 -3.355 8.457 -3.787 1.00 54.44 O ATOM 648 CB SER A 45 -3.004 9.087 -7.005 1.00 13.43 C ATOM 649 OG SER A 45 -4.264 8.469 -7.205 1.00 35.12 O ATOM 0 H SER A 45 -3.465 6.707 -5.710 1.00 14.25 H new ATOM 0 HA SER A 45 -1.144 8.510 -6.097 1.00 11.03 H new ATOM 0 HB2 SER A 45 -3.147 10.133 -6.733 1.00 13.43 H new ATOM 0 HB3 SER A 45 -2.437 9.074 -7.936 1.00 13.43 H new ATOM 0 HG SER A 45 -4.753 8.944 -7.909 1.00 35.12 H new ATOM 772 N ALA A 56 -9.045 0.365 -1.854 1.00 10.43 N ATOM 773 CA ALA A 56 -8.797 1.262 -0.732 1.00 22.15 C ATOM 774 C ALA A 56 -8.562 2.690 -1.213 1.00 10.50 C ATOM 775 O ALA A 56 -8.520 2.951 -2.414 1.00 72.42 O ATOM 776 CB ALA A 56 -7.608 0.774 0.082 1.00 44.22 C ATOM 0 HA ALA A 56 -9.682 1.262 -0.096 1.00 22.15 H new ATOM 0 HB1 ALA A 56 -7.435 1.454 0.916 1.00 44.22 H new ATOM 0 HB2 ALA A 56 -7.815 -0.225 0.465 1.00 44.22 H new ATOM 0 HB3 ALA A 56 -6.721 0.744 -0.551 1.00 44.22 H new ATOM 782 N ARG A 57 -8.409 3.610 -0.265 1.00 31.51 N ATOM 783 CA ARG A 57 -8.179 5.012 -0.593 1.00 0.41 C ATOM 784 C ARG A 57 -6.977 5.558 0.171 1.00 13.21 C ATOM 785 O ARG A 57 -6.468 4.918 1.091 1.00 41.21 O ATOM 786 CB ARG A 57 -9.422 5.843 -0.269 1.00 63.55 C ATOM 787 CG ARG A 57 -10.235 5.298 0.894 1.00 51.45 C ATOM 788 CD ARG A 57 -9.421 5.274 2.178 1.00 33.11 C ATOM 789 NE ARG A 57 -9.056 6.617 2.620 1.00 22.51 N ATOM 790 CZ ARG A 57 -9.896 7.441 3.237 1.00 1.42 C ATOM 791 NH1 ARG A 57 -11.142 7.059 3.485 1.00 32.41 N ATOM 792 NH2 ARG A 57 -9.489 8.649 3.609 1.00 5.40 N ATOM 0 H ARG A 57 -8.440 3.410 0.735 1.00 31.51 H new ATOM 0 HA ARG A 57 -7.972 5.081 -1.661 1.00 0.41 H new ATOM 0 HB2 ARG A 57 -9.116 6.864 -0.040 1.00 63.55 H new ATOM 0 HB3 ARG A 57 -10.057 5.891 -1.154 1.00 63.55 H new ATOM 0 HG2 ARG A 57 -11.125 5.912 1.037 1.00 51.45 H new ATOM 0 HG3 ARG A 57 -10.577 4.290 0.660 1.00 51.45 H new ATOM 0 HD2 ARG A 57 -9.994 4.778 2.961 1.00 33.11 H new ATOM 0 HD3 ARG A 57 -8.517 4.685 2.023 1.00 33.11 H new ATOM 0 HE ARG A 57 -8.104 6.940 2.446 1.00 22.51 H new ATOM 0 HH11 ARG A 57 -11.457 6.131 3.202 1.00 32.41 H new ATOM 0 HH12 ARG A 57 -11.785 7.693 3.959 1.00 32.41 H new ATOM 0 HH21 ARG A 57 -8.531 8.945 3.421 1.00 5.40 H new ATOM 0 HH22 ARG A 57 -10.134 9.281 4.083 1.00 5.40 H new ATOM 803 N VAL A 58 -6.527 6.748 -0.216 1.00 42.01 N ATOM 804 CA VAL A 58 -5.385 7.382 0.432 1.00 4.21 C ATOM 805 C VAL A 58 -5.828 8.542 1.315 1.00 33.12 C ATOM 806 O VAL A 58 -6.587 9.411 0.884 1.00 30.13 O ATOM 807 CB VAL A 58 -4.368 7.899 -0.604 1.00 1.13 C ATOM 808 CG1 VAL A 58 -3.158 8.502 0.093 1.00 42.43 C ATOM 809 CG2 VAL A 58 -3.949 6.778 -1.543 1.00 63.41 C ATOM 0 H VAL A 58 -6.936 7.292 -0.975 1.00 42.01 H new ATOM 0 HA VAL A 58 -4.909 6.621 1.050 1.00 4.21 H new ATOM 0 HB VAL A 58 -4.843 8.680 -1.197 1.00 1.13 H new ATOM 0 HG11 VAL A 58 -2.450 8.862 -0.654 1.00 42.43 H new ATOM 0 HG12 VAL A 58 -3.477 9.334 0.721 1.00 42.43 H new ATOM 0 HG13 VAL A 58 -2.679 7.743 0.711 1.00 42.43 H new ATOM 0 HG21 VAL A 58 -3.231 7.160 -2.268 1.00 63.41 H new ATOM 0 HG22 VAL A 58 -3.491 5.974 -0.968 1.00 63.41 H new ATOM 0 HG23 VAL A 58 -4.825 6.396 -2.067 1.00 63.41 H new ATOM 819 N LEU A 59 -5.352 8.551 2.555 1.00 41.42 N ATOM 820 CA LEU A 59 -5.698 9.605 3.501 1.00 0.42 C ATOM 821 C LEU A 59 -5.063 10.931 3.096 1.00 14.10 C ATOM 822 O LEU A 59 -4.059 10.975 2.385 1.00 60.25 O ATOM 823 CB LEU A 59 -5.246 9.221 4.912 1.00 42.42 C ATOM 824 CG LEU A 59 -6.011 8.073 5.572 1.00 13.12 C ATOM 825 CD1 LEU A 59 -5.272 6.759 5.379 1.00 43.23 C ATOM 826 CD2 LEU A 59 -6.223 8.356 7.052 1.00 35.25 C ATOM 0 H LEU A 59 -4.724 7.839 2.929 1.00 41.42 H new ATOM 0 HA LEU A 59 -6.781 9.724 3.493 1.00 0.42 H new ATOM 0 HB2 LEU A 59 -4.190 8.953 4.873 1.00 42.42 H new ATOM 0 HB3 LEU A 59 -5.328 10.101 5.550 1.00 42.42 H new ATOM 0 HG LEU A 59 -6.987 7.990 5.095 1.00 13.12 H new ATOM 0 HD11 LEU A 59 -5.831 5.954 5.855 1.00 43.23 H new ATOM 0 HD12 LEU A 59 -5.172 6.551 4.314 1.00 43.23 H new ATOM 0 HD13 LEU A 59 -4.282 6.829 5.829 1.00 43.23 H new ATOM 0 HD21 LEU A 59 -6.769 7.529 7.506 1.00 35.25 H new ATOM 0 HD22 LEU A 59 -5.256 8.466 7.544 1.00 35.25 H new ATOM 0 HD23 LEU A 59 -6.796 9.276 7.168 1.00 35.25 H new ATOM 837 N PRO A 60 -5.660 12.039 3.559 1.00 42.25 N ATOM 838 CA PRO A 60 -5.167 13.387 3.259 1.00 32.44 C ATOM 839 C PRO A 60 -3.846 13.691 3.955 1.00 40.23 C ATOM 840 O PRO A 60 -3.108 14.585 3.545 1.00 74.00 O ATOM 841 CB PRO A 60 -6.276 14.296 3.797 1.00 55.53 C ATOM 842 CG PRO A 60 -6.942 13.495 4.860 1.00 54.11 C ATOM 843 CD PRO A 60 -6.860 12.062 4.412 1.00 23.51 C ATOM 0 HA PRO A 60 -4.964 13.520 2.196 1.00 32.44 H new ATOM 0 HB2 PRO A 60 -5.867 15.224 4.198 1.00 55.53 H new ATOM 0 HB3 PRO A 60 -6.978 14.571 3.010 1.00 55.53 H new ATOM 0 HG2 PRO A 60 -6.446 13.632 5.821 1.00 54.11 H new ATOM 0 HG3 PRO A 60 -7.979 13.804 4.990 1.00 54.11 H new ATOM 0 HD2 PRO A 60 -6.765 11.381 5.258 1.00 23.51 H new ATOM 0 HD3 PRO A 60 -7.751 11.762 3.860 1.00 23.51 H new ATOM 848 N ASN A 61 -3.552 12.937 5.011 1.00 32.11 N ATOM 849 CA ASN A 61 -2.317 13.126 5.764 1.00 40.42 C ATOM 850 C ASN A 61 -1.150 12.422 5.079 1.00 0.34 C ATOM 851 O ASN A 61 -0.025 12.434 5.580 1.00 32.22 O ATOM 852 CB ASN A 61 -2.481 12.598 7.190 1.00 11.25 C ATOM 853 CG ASN A 61 -3.361 11.365 7.254 1.00 31.24 C ATOM 854 OD1 ASN A 61 -4.587 11.459 7.178 1.00 41.55 O ATOM 855 ND2 ASN A 61 -2.738 10.201 7.395 1.00 5.43 N ATOM 0 H ASN A 61 -4.151 12.191 5.364 1.00 32.11 H new ATOM 0 HA ASN A 61 -2.102 14.194 5.802 1.00 40.42 H new ATOM 0 HB2 ASN A 61 -1.500 12.362 7.602 1.00 11.25 H new ATOM 0 HB3 ASN A 61 -2.910 13.380 7.817 1.00 11.25 H new ATOM 0 HD21 ASN A 61 -3.277 9.337 7.445 1.00 5.43 H new ATOM 0 HD22 ASN A 61 -1.720 10.171 7.454 1.00 5.43 H new ATOM 861 N GLY A 62 -1.425 11.809 3.932 1.00 0.43 N ATOM 862 CA GLY A 62 -0.386 11.109 3.199 1.00 23.10 C ATOM 863 C GLY A 62 -0.275 9.651 3.602 1.00 72.43 C ATOM 864 O GLY A 62 0.785 9.041 3.459 1.00 11.25 O ATOM 0 H GLY A 62 -2.348 11.784 3.498 1.00 0.43 H new ATOM 0 HA2 GLY A 62 -0.593 11.173 2.131 1.00 23.10 H new ATOM 0 HA3 GLY A 62 0.570 11.604 3.368 1.00 23.10 H new ATOM 868 N SER A 63 -1.368 9.093 4.109 1.00 63.22 N ATOM 869 CA SER A 63 -1.386 7.700 4.539 1.00 30.33 C ATOM 870 C SER A 63 -2.308 6.869 3.651 1.00 11.23 C ATOM 871 O SER A 63 -2.911 7.383 2.710 1.00 11.11 O ATOM 872 CB SER A 63 -1.837 7.601 5.998 1.00 1.41 C ATOM 873 OG SER A 63 -0.904 8.223 6.864 1.00 54.14 O ATOM 0 H SER A 63 -2.254 9.584 4.232 1.00 63.22 H new ATOM 0 HA SER A 63 -0.374 7.305 4.452 1.00 30.33 H new ATOM 0 HB2 SER A 63 -2.814 8.071 6.113 1.00 1.41 H new ATOM 0 HB3 SER A 63 -1.953 6.553 6.276 1.00 1.41 H new ATOM 0 HG SER A 63 -1.216 8.147 7.790 1.00 54.14 H new ATOM 878 N LEU A 64 -2.413 5.581 3.962 1.00 22.31 N ATOM 879 CA LEU A 64 -3.261 4.676 3.193 1.00 30.54 C ATOM 880 C LEU A 64 -4.182 3.881 4.113 1.00 32.31 C ATOM 881 O LEU A 64 -3.732 3.266 5.080 1.00 65.11 O ATOM 882 CB LEU A 64 -2.402 3.721 2.363 1.00 71.44 C ATOM 883 CG LEU A 64 -3.160 2.666 1.556 1.00 34.12 C ATOM 884 CD1 LEU A 64 -3.354 3.129 0.120 1.00 10.54 C ATOM 885 CD2 LEU A 64 -2.423 1.336 1.595 1.00 44.01 C ATOM 0 H LEU A 64 -1.922 5.141 4.740 1.00 22.31 H new ATOM 0 HA LEU A 64 -3.876 5.276 2.522 1.00 30.54 H new ATOM 0 HB2 LEU A 64 -1.799 4.312 1.674 1.00 71.44 H new ATOM 0 HB3 LEU A 64 -1.711 3.210 3.033 1.00 71.44 H new ATOM 0 HG LEU A 64 -4.143 2.528 2.006 1.00 34.12 H new ATOM 0 HD11 LEU A 64 -3.895 2.365 -0.439 1.00 10.54 H new ATOM 0 HD12 LEU A 64 -3.925 4.058 0.111 1.00 10.54 H new ATOM 0 HD13 LEU A 64 -2.381 3.296 -0.343 1.00 10.54 H new ATOM 0 HD21 LEU A 64 -2.976 0.596 1.016 1.00 44.01 H new ATOM 0 HD22 LEU A 64 -1.427 1.459 1.170 1.00 44.01 H new ATOM 0 HD23 LEU A 64 -2.337 0.998 2.628 1.00 44.01 H new ATOM 896 N PHE A 65 -5.475 3.897 3.806 1.00 65.33 N ATOM 897 CA PHE A 65 -6.460 3.177 4.602 1.00 11.20 C ATOM 898 C PHE A 65 -7.293 2.245 3.727 1.00 40.51 C ATOM 899 O PHE A 65 -7.778 2.639 2.667 1.00 32.55 O ATOM 900 CB PHE A 65 -7.376 4.162 5.332 1.00 11.13 C ATOM 901 CG PHE A 65 -8.504 3.498 6.070 1.00 51.13 C ATOM 902 CD1 PHE A 65 -9.685 3.184 5.415 1.00 22.02 C ATOM 903 CD2 PHE A 65 -8.385 3.190 7.415 1.00 71.10 C ATOM 904 CE1 PHE A 65 -10.725 2.572 6.091 1.00 71.14 C ATOM 905 CE2 PHE A 65 -9.422 2.579 8.094 1.00 60.31 C ATOM 906 CZ PHE A 65 -10.593 2.271 7.432 1.00 2.02 C ATOM 0 H PHE A 65 -5.865 4.402 3.010 1.00 65.33 H new ATOM 0 HA PHE A 65 -5.925 2.575 5.336 1.00 11.20 H new ATOM 0 HB2 PHE A 65 -6.782 4.743 6.038 1.00 11.13 H new ATOM 0 HB3 PHE A 65 -7.790 4.865 4.609 1.00 11.13 H new ATOM 0 HD1 PHE A 65 -9.794 3.420 4.367 1.00 22.02 H new ATOM 0 HD2 PHE A 65 -7.472 3.430 7.939 1.00 71.10 H new ATOM 0 HE1 PHE A 65 -11.640 2.330 5.570 1.00 71.14 H new ATOM 0 HE2 PHE A 65 -9.316 2.343 9.142 1.00 60.31 H new ATOM 0 HZ PHE A 65 -11.405 1.795 7.962 1.00 2.02 H new ATOM 915 N LEU A 66 -7.452 1.004 4.178 1.00 34.05 N ATOM 916 CA LEU A 66 -8.225 0.015 3.437 1.00 71.13 C ATOM 917 C LEU A 66 -9.474 -0.393 4.212 1.00 52.21 C ATOM 918 O LEU A 66 -9.415 -0.763 5.385 1.00 63.24 O ATOM 919 CB LEU A 66 -7.367 -1.218 3.147 1.00 21.20 C ATOM 920 CG LEU A 66 -6.081 -0.970 2.358 1.00 33.22 C ATOM 921 CD1 LEU A 66 -4.870 -1.036 3.275 1.00 0.11 C ATOM 922 CD2 LEU A 66 -5.949 -1.976 1.224 1.00 3.02 C ATOM 0 H LEU A 66 -7.056 0.660 5.053 1.00 34.05 H new ATOM 0 HA LEU A 66 -8.536 0.465 2.494 1.00 71.13 H new ATOM 0 HB2 LEU A 66 -7.103 -1.684 4.096 1.00 21.20 H new ATOM 0 HB3 LEU A 66 -7.974 -1.937 2.597 1.00 21.20 H new ATOM 0 HG LEU A 66 -6.130 0.030 1.927 1.00 33.22 H new ATOM 0 HD11 LEU A 66 -3.964 -0.857 2.695 1.00 0.11 H new ATOM 0 HD12 LEU A 66 -4.960 -0.276 4.052 1.00 0.11 H new ATOM 0 HD13 LEU A 66 -4.816 -2.022 3.737 1.00 0.11 H new ATOM 0 HD21 LEU A 66 -5.028 -1.785 0.673 1.00 3.02 H new ATOM 0 HD22 LEU A 66 -5.923 -2.985 1.634 1.00 3.02 H new ATOM 0 HD23 LEU A 66 -6.801 -1.880 0.551 1.00 3.02 H new ATOM 933 N PRO A 67 -10.635 -0.323 3.543 1.00 43.04 N ATOM 934 CA PRO A 67 -11.920 -0.684 4.148 1.00 21.20 C ATOM 935 C PRO A 67 -12.042 -2.183 4.402 1.00 74.41 C ATOM 936 O PRO A 67 -12.658 -2.608 5.378 1.00 1.50 O ATOM 937 CB PRO A 67 -12.943 -0.235 3.103 1.00 74.33 C ATOM 938 CG PRO A 67 -12.200 -0.258 1.812 1.00 62.45 C ATOM 939 CD PRO A 67 -10.780 0.109 2.142 1.00 25.01 C ATOM 0 HA PRO A 67 -12.055 -0.219 5.124 1.00 21.20 H new ATOM 0 HB2 PRO A 67 -13.803 -0.905 3.077 1.00 74.33 H new ATOM 0 HB3 PRO A 67 -13.323 0.763 3.324 1.00 74.33 H new ATOM 0 HG2 PRO A 67 -12.251 -1.244 1.351 1.00 62.45 H new ATOM 0 HG3 PRO A 67 -12.630 0.448 1.102 1.00 62.45 H new ATOM 0 HD2 PRO A 67 -10.071 -0.400 1.489 1.00 25.01 H new ATOM 0 HD3 PRO A 67 -10.605 1.179 2.031 1.00 25.01 H new ATOM 944 N ALA A 68 -11.451 -2.978 3.516 1.00 71.41 N ATOM 945 CA ALA A 68 -11.492 -4.430 3.646 1.00 11.21 C ATOM 946 C ALA A 68 -10.575 -5.098 2.627 1.00 55.10 C ATOM 947 O ALA A 68 -10.935 -5.258 1.461 1.00 32.32 O ATOM 948 CB ALA A 68 -12.918 -4.933 3.484 1.00 23.14 C ATOM 0 H ALA A 68 -10.938 -2.642 2.701 1.00 71.41 H new ATOM 0 HA ALA A 68 -11.136 -4.692 4.643 1.00 11.21 H new ATOM 0 HB1 ALA A 68 -12.934 -6.018 3.583 1.00 23.14 H new ATOM 0 HB2 ALA A 68 -13.550 -4.489 4.253 1.00 23.14 H new ATOM 0 HB3 ALA A 68 -13.293 -4.653 2.500 1.00 23.14 H new ATOM 954 N VAL A 69 -9.384 -5.485 3.074 1.00 11.44 N ATOM 955 CA VAL A 69 -8.415 -6.137 2.203 1.00 21.03 C ATOM 956 C VAL A 69 -8.808 -7.584 1.926 1.00 25.15 C ATOM 957 O VAL A 69 -8.788 -8.425 2.823 1.00 12.41 O ATOM 958 CB VAL A 69 -7.002 -6.110 2.816 1.00 74.35 C ATOM 959 CG1 VAL A 69 -6.432 -4.699 2.783 1.00 64.44 C ATOM 960 CG2 VAL A 69 -7.027 -6.649 4.237 1.00 11.34 C ATOM 0 H VAL A 69 -9.068 -5.358 4.035 1.00 11.44 H new ATOM 0 HA VAL A 69 -8.409 -5.580 1.266 1.00 21.03 H new ATOM 0 HB VAL A 69 -6.354 -6.752 2.219 1.00 74.35 H new ATOM 0 HG11 VAL A 69 -5.434 -4.700 3.220 1.00 64.44 H new ATOM 0 HG12 VAL A 69 -6.376 -4.353 1.751 1.00 64.44 H new ATOM 0 HG13 VAL A 69 -7.078 -4.032 3.354 1.00 64.44 H new ATOM 0 HG21 VAL A 69 -6.020 -6.622 4.654 1.00 11.34 H new ATOM 0 HG22 VAL A 69 -7.689 -6.035 4.847 1.00 11.34 H new ATOM 0 HG23 VAL A 69 -7.390 -7.677 4.230 1.00 11.34 H new ATOM 970 N GLY A 70 -9.168 -7.866 0.678 1.00 72.13 N ATOM 971 CA GLY A 70 -9.561 -9.212 0.306 1.00 63.43 C ATOM 972 C GLY A 70 -8.376 -10.079 -0.070 1.00 33.00 C ATOM 973 O GLY A 70 -7.254 -9.588 -0.200 1.00 20.43 O ATOM 0 H GLY A 70 -9.194 -7.186 -0.082 1.00 72.13 H new ATOM 0 HA2 GLY A 70 -10.096 -9.673 1.136 1.00 63.43 H new ATOM 0 HA3 GLY A 70 -10.254 -9.166 -0.534 1.00 63.43 H new ATOM 977 N ILE A 71 -8.623 -11.374 -0.245 1.00 35.34 N ATOM 978 CA ILE A 71 -7.568 -12.311 -0.607 1.00 72.34 C ATOM 979 C ILE A 71 -6.838 -11.856 -1.868 1.00 4.31 C ATOM 980 O ILE A 71 -5.649 -12.123 -2.037 1.00 32.51 O ATOM 981 CB ILE A 71 -8.125 -13.728 -0.833 1.00 15.52 C ATOM 982 CG1 ILE A 71 -7.122 -14.778 -0.348 1.00 22.50 C ATOM 983 CG2 ILE A 71 -8.454 -13.940 -2.303 1.00 72.24 C ATOM 984 CD1 ILE A 71 -7.143 -16.052 -1.163 1.00 50.04 C ATOM 0 H ILE A 71 -9.545 -11.797 -0.142 1.00 35.34 H new ATOM 0 HA ILE A 71 -6.868 -12.335 0.228 1.00 72.34 H new ATOM 0 HB ILE A 71 -9.043 -13.837 -0.256 1.00 15.52 H new ATOM 0 HG12 ILE A 71 -6.119 -14.353 -0.379 1.00 22.50 H new ATOM 0 HG13 ILE A 71 -7.335 -15.019 0.694 1.00 22.50 H new ATOM 0 HG21 ILE A 71 -8.847 -14.947 -2.446 1.00 72.24 H new ATOM 0 HG22 ILE A 71 -9.201 -13.211 -2.618 1.00 72.24 H new ATOM 0 HG23 ILE A 71 -7.551 -13.815 -2.900 1.00 72.24 H new ATOM 0 HD11 ILE A 71 -6.408 -16.751 -0.764 1.00 50.04 H new ATOM 0 HD12 ILE A 71 -8.135 -16.500 -1.112 1.00 50.04 H new ATOM 0 HD13 ILE A 71 -6.901 -15.824 -2.201 1.00 50.04 H new ATOM 995 N GLN A 72 -7.560 -11.169 -2.747 1.00 51.12 N ATOM 996 CA GLN A 72 -6.982 -10.677 -3.992 1.00 53.41 C ATOM 997 C GLN A 72 -6.117 -9.444 -3.741 1.00 25.21 C ATOM 998 O GLN A 72 -5.229 -9.127 -4.530 1.00 60.22 O ATOM 999 CB GLN A 72 -8.086 -10.345 -4.996 1.00 55.10 C ATOM 1000 CG GLN A 72 -8.895 -11.556 -5.434 1.00 53.32 C ATOM 1001 CD GLN A 72 -8.049 -12.596 -6.143 1.00 30.03 C ATOM 1002 OE1 GLN A 72 -7.084 -12.265 -6.831 1.00 3.25 O ATOM 1003 NE2 GLN A 72 -8.410 -13.864 -5.979 1.00 33.12 N ATOM 0 H GLN A 72 -8.546 -10.940 -2.620 1.00 51.12 H new ATOM 0 HA GLN A 72 -6.350 -11.463 -4.406 1.00 53.41 H new ATOM 0 HB2 GLN A 72 -8.758 -9.610 -4.554 1.00 55.10 H new ATOM 0 HB3 GLN A 72 -7.639 -9.880 -5.875 1.00 55.10 H new ATOM 0 HG2 GLN A 72 -9.366 -12.009 -4.561 1.00 53.32 H new ATOM 0 HG3 GLN A 72 -9.697 -11.232 -6.097 1.00 53.32 H new ATOM 0 HE21 GLN A 72 -9.217 -14.094 -5.399 1.00 33.12 H new ATOM 0 HE22 GLN A 72 -7.880 -14.608 -6.433 1.00 33.12 H new ATOM 1010 N ASP A 73 -6.387 -8.754 -2.638 1.00 71.01 N ATOM 1011 CA ASP A 73 -5.635 -7.557 -2.283 1.00 62.22 C ATOM 1012 C ASP A 73 -4.262 -7.923 -1.729 1.00 42.50 C ATOM 1013 O ASP A 73 -3.450 -7.047 -1.431 1.00 75.05 O ATOM 1014 CB ASP A 73 -6.408 -6.728 -1.257 1.00 24.33 C ATOM 1015 CG ASP A 73 -7.325 -5.711 -1.905 1.00 33.10 C ATOM 1016 OD1 ASP A 73 -8.083 -6.093 -2.822 1.00 63.52 O ATOM 1017 OD2 ASP A 73 -7.285 -4.531 -1.498 1.00 3.45 O ATOM 0 H ASP A 73 -7.121 -9.003 -1.975 1.00 71.01 H new ATOM 0 HA ASP A 73 -5.496 -6.964 -3.187 1.00 62.22 H new ATOM 0 HB2 ASP A 73 -6.997 -7.394 -0.626 1.00 24.33 H new ATOM 0 HB3 ASP A 73 -5.702 -6.213 -0.605 1.00 24.33 H new ATOM 1021 N GLU A 74 -4.010 -9.221 -1.592 1.00 72.24 N ATOM 1022 CA GLU A 74 -2.735 -9.701 -1.072 1.00 32.01 C ATOM 1023 C GLU A 74 -1.583 -9.273 -1.977 1.00 13.41 C ATOM 1024 O GLU A 74 -1.703 -9.285 -3.201 1.00 15.05 O ATOM 1025 CB GLU A 74 -2.754 -11.225 -0.939 1.00 60.43 C ATOM 1026 CG GLU A 74 -2.814 -11.952 -2.272 1.00 25.42 C ATOM 1027 CD GLU A 74 -1.454 -12.444 -2.729 1.00 31.20 C ATOM 1028 OE1 GLU A 74 -0.438 -11.848 -2.314 1.00 61.12 O ATOM 1029 OE2 GLU A 74 -1.407 -13.424 -3.503 1.00 53.42 O ATOM 0 H GLU A 74 -4.672 -9.959 -1.834 1.00 72.24 H new ATOM 0 HA GLU A 74 -2.584 -9.260 -0.087 1.00 32.01 H new ATOM 0 HB2 GLU A 74 -1.862 -11.545 -0.400 1.00 60.43 H new ATOM 0 HB3 GLU A 74 -3.613 -11.518 -0.336 1.00 60.43 H new ATOM 0 HG2 GLU A 74 -3.494 -12.800 -2.189 1.00 25.42 H new ATOM 0 HG3 GLU A 74 -3.228 -11.284 -3.028 1.00 25.42 H new ATOM 1034 N GLY A 75 -0.466 -8.895 -1.363 1.00 14.44 N ATOM 1035 CA GLY A 75 0.691 -8.467 -2.126 1.00 54.43 C ATOM 1036 C GLY A 75 1.647 -7.623 -1.306 1.00 34.02 C ATOM 1037 O GLY A 75 1.764 -7.805 -0.094 1.00 13.14 O ATOM 0 H GLY A 75 -0.342 -8.878 -0.351 1.00 14.44 H new ATOM 0 HA2 GLY A 75 1.218 -9.343 -2.504 1.00 54.43 H new ATOM 0 HA3 GLY A 75 0.359 -7.896 -2.993 1.00 54.43 H new ATOM 1041 N ILE A 76 2.334 -6.698 -1.968 1.00 62.55 N ATOM 1042 CA ILE A 76 3.284 -5.823 -1.294 1.00 45.40 C ATOM 1043 C ILE A 76 3.046 -4.363 -1.665 1.00 11.31 C ATOM 1044 O ILE A 76 2.849 -4.032 -2.834 1.00 64.21 O ATOM 1045 CB ILE A 76 4.738 -6.197 -1.638 1.00 24.11 C ATOM 1046 CG1 ILE A 76 5.090 -7.563 -1.043 1.00 32.23 C ATOM 1047 CG2 ILE A 76 5.694 -5.129 -1.130 1.00 12.40 C ATOM 1048 CD1 ILE A 76 4.546 -8.728 -1.840 1.00 33.32 C ATOM 0 H ILE A 76 2.250 -6.535 -2.971 1.00 62.55 H new ATOM 0 HA ILE A 76 3.127 -5.954 -0.223 1.00 45.40 H new ATOM 0 HB ILE A 76 4.836 -6.258 -2.722 1.00 24.11 H new ATOM 0 HG12 ILE A 76 6.174 -7.653 -0.977 1.00 32.23 H new ATOM 0 HG13 ILE A 76 4.703 -7.617 -0.025 1.00 32.23 H new ATOM 0 HG21 ILE A 76 6.717 -5.408 -1.381 1.00 12.40 H new ATOM 0 HG22 ILE A 76 5.453 -4.174 -1.596 1.00 12.40 H new ATOM 0 HG23 ILE A 76 5.597 -5.039 -0.048 1.00 12.40 H new ATOM 0 HD11 ILE A 76 4.834 -9.663 -1.360 1.00 33.32 H new ATOM 0 HD12 ILE A 76 3.459 -8.663 -1.884 1.00 33.32 H new ATOM 0 HD13 ILE A 76 4.953 -8.699 -2.851 1.00 33.32 H new ATOM 1059 N PHE A 77 3.068 -3.493 -0.660 1.00 54.25 N ATOM 1060 CA PHE A 77 2.856 -2.066 -0.880 1.00 3.30 C ATOM 1061 C PHE A 77 4.183 -1.311 -0.874 1.00 25.03 C ATOM 1062 O PHE A 77 5.001 -1.482 0.030 1.00 20.12 O ATOM 1063 CB PHE A 77 1.926 -1.496 0.192 1.00 3.44 C ATOM 1064 CG PHE A 77 0.537 -2.065 0.146 1.00 2.30 C ATOM 1065 CD1 PHE A 77 0.293 -3.364 0.562 1.00 4.52 C ATOM 1066 CD2 PHE A 77 -0.524 -1.302 -0.313 1.00 51.42 C ATOM 1067 CE1 PHE A 77 -0.985 -3.892 0.520 1.00 33.32 C ATOM 1068 CE2 PHE A 77 -1.803 -1.823 -0.357 1.00 62.22 C ATOM 1069 CZ PHE A 77 -2.034 -3.120 0.061 1.00 3.21 C ATOM 0 H PHE A 77 3.230 -3.750 0.314 1.00 54.25 H new ATOM 0 HA PHE A 77 2.392 -1.940 -1.858 1.00 3.30 H new ATOM 0 HB2 PHE A 77 2.356 -1.689 1.175 1.00 3.44 H new ATOM 0 HB3 PHE A 77 1.871 -0.414 0.075 1.00 3.44 H new ATOM 0 HD1 PHE A 77 1.110 -3.971 0.923 1.00 4.52 H new ATOM 0 HD2 PHE A 77 -0.349 -0.288 -0.640 1.00 51.42 H new ATOM 0 HE1 PHE A 77 -1.162 -4.906 0.846 1.00 33.32 H new ATOM 0 HE2 PHE A 77 -2.621 -1.217 -0.718 1.00 62.22 H new ATOM 0 HZ PHE A 77 -3.033 -3.529 0.029 1.00 3.21 H new ATOM 1078 N ARG A 78 4.385 -0.477 -1.888 1.00 33.02 N ATOM 1079 CA ARG A 78 5.613 0.303 -2.001 1.00 24.14 C ATOM 1080 C ARG A 78 5.300 1.785 -2.186 1.00 24.43 C ATOM 1081 O ARG A 78 4.481 2.157 -3.027 1.00 70.32 O ATOM 1082 CB ARG A 78 6.457 -0.202 -3.172 1.00 33.42 C ATOM 1083 CG ARG A 78 7.692 -0.975 -2.744 1.00 44.04 C ATOM 1084 CD ARG A 78 8.920 -0.079 -2.686 1.00 24.41 C ATOM 1085 NE ARG A 78 9.353 0.340 -4.016 1.00 33.52 N ATOM 1086 CZ ARG A 78 10.427 1.092 -4.236 1.00 5.21 C ATOM 1087 NH1 ARG A 78 11.172 1.503 -3.219 1.00 23.11 N ATOM 1088 NH2 ARG A 78 10.757 1.434 -5.475 1.00 4.21 N ATOM 0 H ARG A 78 3.716 -0.323 -2.642 1.00 33.02 H new ATOM 0 HA ARG A 78 6.178 0.182 -1.077 1.00 24.14 H new ATOM 0 HB2 ARG A 78 5.840 -0.841 -3.804 1.00 33.42 H new ATOM 0 HB3 ARG A 78 6.764 0.648 -3.781 1.00 33.42 H new ATOM 0 HG2 ARG A 78 7.521 -1.423 -1.765 1.00 44.04 H new ATOM 0 HG3 ARG A 78 7.870 -1.793 -3.442 1.00 44.04 H new ATOM 0 HD2 ARG A 78 8.699 0.801 -2.082 1.00 24.41 H new ATOM 0 HD3 ARG A 78 9.733 -0.609 -2.190 1.00 24.41 H new ATOM 0 HE ARG A 78 8.802 0.039 -4.820 1.00 33.52 H new ATOM 0 HH11 ARG A 78 10.922 1.242 -2.265 1.00 23.11 H new ATOM 0 HH12 ARG A 78 11.996 2.080 -3.390 1.00 23.11 H new ATOM 0 HH21 ARG A 78 10.186 1.120 -6.260 1.00 4.21 H new ATOM 0 HH22 ARG A 78 11.581 2.011 -5.642 1.00 4.21 H new ATOM 1099 N CYS A 79 5.955 2.626 -1.394 1.00 3.23 N ATOM 1100 CA CYS A 79 5.747 4.067 -1.468 1.00 21.21 C ATOM 1101 C CYS A 79 7.052 4.790 -1.789 1.00 20.20 C ATOM 1102 O CYS A 79 8.135 4.315 -1.448 1.00 22.12 O ATOM 1103 CB CYS A 79 5.173 4.590 -0.149 1.00 11.11 C ATOM 1104 SG CYS A 79 6.263 5.762 0.721 1.00 12.22 S ATOM 0 H CYS A 79 6.635 2.334 -0.692 1.00 3.23 H new ATOM 0 HA CYS A 79 5.036 4.265 -2.270 1.00 21.21 H new ATOM 0 HB2 CYS A 79 4.218 5.077 -0.348 1.00 11.11 H new ATOM 0 HB3 CYS A 79 4.969 3.744 0.507 1.00 11.11 H new ATOM 1108 N GLN A 80 6.938 5.938 -2.449 1.00 52.52 N ATOM 1109 CA GLN A 80 8.111 6.725 -2.818 1.00 31.50 C ATOM 1110 C GLN A 80 7.807 8.217 -2.744 1.00 72.32 C ATOM 1111 O GLN A 80 6.850 8.699 -3.350 1.00 2.42 O ATOM 1112 CB GLN A 80 8.576 6.356 -4.227 1.00 22.42 C ATOM 1113 CG GLN A 80 9.654 7.278 -4.772 1.00 62.44 C ATOM 1114 CD GLN A 80 9.084 8.447 -5.551 1.00 33.31 C ATOM 1115 OE1 GLN A 80 8.178 8.280 -6.368 1.00 61.30 O ATOM 1116 NE2 GLN A 80 9.612 9.639 -5.302 1.00 34.33 N ATOM 0 H GLN A 80 6.048 6.344 -2.739 1.00 52.52 H new ATOM 0 HA GLN A 80 8.908 6.499 -2.110 1.00 31.50 H new ATOM 0 HB2 GLN A 80 8.953 5.333 -4.220 1.00 22.42 H new ATOM 0 HB3 GLN A 80 7.719 6.375 -4.900 1.00 22.42 H new ATOM 0 HG2 GLN A 80 10.255 7.656 -3.945 1.00 62.44 H new ATOM 0 HG3 GLN A 80 10.322 6.708 -5.417 1.00 62.44 H new ATOM 0 HE21 GLN A 80 10.362 9.732 -4.617 1.00 34.33 H new ATOM 0 HE22 GLN A 80 9.268 10.462 -5.796 1.00 34.33 H new ATOM 1123 N ALA A 81 8.631 8.947 -1.996 1.00 4.23 N ATOM 1124 CA ALA A 81 8.452 10.386 -1.845 1.00 3.01 C ATOM 1125 C ALA A 81 9.765 11.128 -2.070 1.00 25.43 C ATOM 1126 O ALA A 81 10.839 10.533 -2.029 1.00 35.10 O ATOM 1127 CB ALA A 81 7.892 10.706 -0.466 1.00 2.34 C ATOM 0 H ALA A 81 9.428 8.565 -1.486 1.00 4.23 H new ATOM 0 HA ALA A 81 7.741 10.721 -2.600 1.00 3.01 H new ATOM 0 HB1 ALA A 81 7.763 11.784 -0.367 1.00 2.34 H new ATOM 0 HB2 ALA A 81 6.928 10.212 -0.341 1.00 2.34 H new ATOM 0 HB3 ALA A 81 8.583 10.351 0.299 1.00 2.34 H new ATOM 1133 N MET A 82 9.667 12.432 -2.309 1.00 50.03 N ATOM 1134 CA MET A 82 10.848 13.256 -2.541 1.00 60.01 C ATOM 1135 C MET A 82 10.821 14.503 -1.664 1.00 12.43 C ATOM 1136 O MET A 82 9.854 15.265 -1.680 1.00 55.13 O ATOM 1137 CB MET A 82 10.935 13.657 -4.015 1.00 11.51 C ATOM 1138 CG MET A 82 12.032 14.669 -4.305 1.00 42.33 C ATOM 1139 SD MET A 82 12.696 14.512 -5.974 1.00 53.43 S ATOM 1140 CE MET A 82 13.597 12.970 -5.837 1.00 53.35 C ATOM 0 H MET A 82 8.783 12.940 -2.347 1.00 50.03 H new ATOM 0 HA MET A 82 11.728 12.668 -2.279 1.00 60.01 H new ATOM 0 HB2 MET A 82 11.107 12.764 -4.617 1.00 11.51 H new ATOM 0 HB3 MET A 82 9.977 14.072 -4.327 1.00 11.51 H new ATOM 0 HG2 MET A 82 11.638 15.676 -4.168 1.00 42.33 H new ATOM 0 HG3 MET A 82 12.839 14.542 -3.583 1.00 42.33 H new ATOM 0 HE1 MET A 82 14.360 12.924 -6.614 1.00 53.35 H new ATOM 0 HE2 MET A 82 14.072 12.912 -4.858 1.00 53.35 H new ATOM 0 HE3 MET A 82 12.908 12.134 -5.956 1.00 53.35 H new ATOM 1148 N ASN A 83 11.888 14.705 -0.897 1.00 20.41 N ATOM 1149 CA ASN A 83 11.985 15.861 -0.012 1.00 1.31 C ATOM 1150 C ASN A 83 12.565 17.064 -0.748 1.00 64.34 C ATOM 1151 O ASN A 83 13.013 16.948 -1.890 1.00 54.10 O ATOM 1152 CB ASN A 83 12.854 15.527 1.204 1.00 51.15 C ATOM 1153 CG ASN A 83 12.465 14.211 1.849 1.00 24.32 C ATOM 1154 OD1 ASN A 83 13.294 13.316 2.011 1.00 14.13 O ATOM 1155 ND2 ASN A 83 11.195 14.088 2.220 1.00 50.23 N ATOM 0 H ASN A 83 12.697 14.084 -0.870 1.00 20.41 H new ATOM 0 HA ASN A 83 10.980 16.114 0.325 1.00 1.31 H new ATOM 0 HB2 ASN A 83 13.900 15.484 0.899 1.00 51.15 H new ATOM 0 HB3 ASN A 83 12.769 16.328 1.939 1.00 51.15 H new ATOM 0 HD21 ASN A 83 10.873 13.225 2.659 1.00 50.23 H new ATOM 0 HD22 ASN A 83 10.542 14.856 2.066 1.00 50.23 H new ATOM 1161 N ARG A 84 12.552 18.218 -0.090 1.00 23.14 N ATOM 1162 CA ARG A 84 13.075 19.442 -0.682 1.00 64.04 C ATOM 1163 C ARG A 84 14.597 19.394 -0.775 1.00 73.21 C ATOM 1164 O ARG A 84 15.205 20.144 -1.538 1.00 25.10 O ATOM 1165 CB ARG A 84 12.640 20.657 0.139 1.00 35.40 C ATOM 1166 CG ARG A 84 13.249 20.700 1.532 1.00 64.44 C ATOM 1167 CD ARG A 84 12.472 21.629 2.451 1.00 24.35 C ATOM 1168 NE ARG A 84 12.813 23.032 2.229 1.00 44.23 N ATOM 1169 CZ ARG A 84 13.964 23.577 2.609 1.00 2.13 C ATOM 1170 NH1 ARG A 84 14.878 22.840 3.227 1.00 34.52 N ATOM 1171 NH2 ARG A 84 14.201 24.860 2.371 1.00 15.40 N ATOM 0 H ARG A 84 12.184 18.331 0.855 1.00 23.14 H new ATOM 0 HA ARG A 84 12.670 19.530 -1.690 1.00 64.04 H new ATOM 0 HB2 ARG A 84 12.916 21.565 -0.397 1.00 35.40 H new ATOM 0 HB3 ARG A 84 11.554 20.656 0.226 1.00 35.40 H new ATOM 0 HG2 ARG A 84 13.263 19.696 1.955 1.00 64.44 H new ATOM 0 HG3 ARG A 84 14.285 21.033 1.467 1.00 64.44 H new ATOM 0 HD2 ARG A 84 11.403 21.486 2.291 1.00 24.35 H new ATOM 0 HD3 ARG A 84 12.677 21.366 3.489 1.00 24.35 H new ATOM 0 HE ARG A 84 12.131 23.625 1.757 1.00 44.23 H new ATOM 0 HH11 ARG A 84 14.698 21.853 3.411 1.00 34.52 H new ATOM 0 HH12 ARG A 84 15.761 23.260 3.518 1.00 34.52 H new ATOM 0 HH21 ARG A 84 13.500 25.429 1.896 1.00 15.40 H new ATOM 0 HH22 ARG A 84 15.084 25.278 2.663 1.00 15.40 H new ATOM 1182 N ASN A 85 15.204 18.509 0.007 1.00 53.15 N ATOM 1183 CA ASN A 85 16.656 18.365 0.014 1.00 15.12 C ATOM 1184 C ASN A 85 17.137 17.651 -1.246 1.00 74.53 C ATOM 1185 O ASN A 85 18.305 17.752 -1.620 1.00 10.43 O ATOM 1186 CB ASN A 85 17.106 17.591 1.255 1.00 72.11 C ATOM 1187 CG ASN A 85 17.133 18.457 2.499 1.00 10.53 C ATOM 1188 OD1 ASN A 85 18.200 18.821 2.993 1.00 53.55 O ATOM 1189 ND2 ASN A 85 15.955 18.792 3.012 1.00 53.20 N ATOM 0 H ASN A 85 14.714 17.881 0.644 1.00 53.15 H new ATOM 0 HA ASN A 85 17.096 19.362 0.036 1.00 15.12 H new ATOM 0 HB2 ASN A 85 16.434 16.748 1.417 1.00 72.11 H new ATOM 0 HB3 ASN A 85 18.100 17.178 1.082 1.00 72.11 H new ATOM 0 HD21 ASN A 85 15.910 19.374 3.849 1.00 53.20 H new ATOM 0 HD22 ASN A 85 15.095 18.468 2.569 1.00 53.20 H new ATOM 1195 N GLY A 86 16.228 16.934 -1.897 1.00 24.21 N ATOM 1196 CA GLY A 86 16.579 16.216 -3.108 1.00 60.22 C ATOM 1197 C GLY A 86 16.636 14.716 -2.898 1.00 43.31 C ATOM 1198 O GLY A 86 16.756 13.950 -3.854 1.00 75.04 O ATOM 0 H GLY A 86 15.255 16.837 -1.608 1.00 24.21 H new ATOM 0 HA2 GLY A 86 15.850 16.443 -3.885 1.00 60.22 H new ATOM 0 HA3 GLY A 86 17.547 16.566 -3.467 1.00 60.22 H new ATOM 1202 N LYS A 87 16.551 14.293 -1.641 1.00 4.20 N ATOM 1203 CA LYS A 87 16.594 12.875 -1.305 1.00 40.43 C ATOM 1204 C LYS A 87 15.208 12.247 -1.417 1.00 61.13 C ATOM 1205 O LYS A 87 14.199 12.895 -1.143 1.00 1.11 O ATOM 1206 CB LYS A 87 17.140 12.681 0.110 1.00 11.53 C ATOM 1207 CG LYS A 87 18.639 12.904 0.222 1.00 62.41 C ATOM 1208 CD LYS A 87 19.416 11.645 -0.125 1.00 44.03 C ATOM 1209 CE LYS A 87 19.706 11.563 -1.617 1.00 10.53 C ATOM 1210 NZ LYS A 87 20.928 10.762 -1.900 1.00 62.13 N ATOM 0 H LYS A 87 16.452 14.913 -0.837 1.00 4.20 H new ATOM 0 HA LYS A 87 17.257 12.380 -2.014 1.00 40.43 H new ATOM 0 HB2 LYS A 87 16.628 13.367 0.785 1.00 11.53 H new ATOM 0 HB3 LYS A 87 16.906 11.671 0.445 1.00 11.53 H new ATOM 0 HG2 LYS A 87 18.938 13.713 -0.444 1.00 62.41 H new ATOM 0 HG3 LYS A 87 18.887 13.218 1.236 1.00 62.41 H new ATOM 0 HD2 LYS A 87 20.354 11.630 0.431 1.00 44.03 H new ATOM 0 HD3 LYS A 87 18.848 10.768 0.185 1.00 44.03 H new ATOM 0 HE2 LYS A 87 18.853 11.118 -2.129 1.00 10.53 H new ATOM 0 HE3 LYS A 87 19.830 12.569 -2.019 1.00 10.53 H new ATOM 0 HZ1 LYS A 87 21.092 10.730 -2.927 1.00 62.13 H new ATOM 0 HZ2 LYS A 87 21.747 11.201 -1.432 1.00 62.13 H new ATOM 0 HZ3 LYS A 87 20.801 9.795 -1.539 1.00 62.13 H new ATOM 1220 N GLU A 88 15.169 10.980 -1.823 1.00 31.44 N ATOM 1221 CA GLU A 88 13.906 10.266 -1.969 1.00 65.33 C ATOM 1222 C GLU A 88 13.712 9.263 -0.835 1.00 32.10 C ATOM 1223 O GLU A 88 14.663 8.621 -0.391 1.00 5.14 O ATOM 1224 CB GLU A 88 13.857 9.544 -3.317 1.00 44.40 C ATOM 1225 CG GLU A 88 12.828 8.426 -3.373 1.00 13.43 C ATOM 1226 CD GLU A 88 12.747 7.776 -4.740 1.00 11.15 C ATOM 1227 OE1 GLU A 88 12.332 8.461 -5.699 1.00 34.22 O ATOM 1228 OE2 GLU A 88 13.096 6.583 -4.852 1.00 54.23 O ATOM 0 H GLU A 88 15.995 10.429 -2.056 1.00 31.44 H new ATOM 0 HA GLU A 88 13.098 10.997 -1.926 1.00 65.33 H new ATOM 0 HB2 GLU A 88 13.636 10.269 -4.100 1.00 44.40 H new ATOM 0 HB3 GLU A 88 14.842 9.131 -3.534 1.00 44.40 H new ATOM 0 HG2 GLU A 88 13.078 7.669 -2.629 1.00 13.43 H new ATOM 0 HG3 GLU A 88 11.849 8.824 -3.106 1.00 13.43 H new ATOM 1233 N THR A 89 12.473 9.136 -0.371 1.00 32.23 N ATOM 1234 CA THR A 89 12.154 8.216 0.713 1.00 63.13 C ATOM 1235 C THR A 89 11.458 6.967 0.184 1.00 21.05 C ATOM 1236 O THR A 89 10.444 7.054 -0.510 1.00 25.13 O ATOM 1237 CB THR A 89 11.255 8.882 1.771 1.00 30.34 C ATOM 1238 OG1 THR A 89 11.402 10.305 1.714 1.00 73.12 O ATOM 1239 CG2 THR A 89 11.601 8.387 3.166 1.00 53.34 C ATOM 0 H THR A 89 11.674 9.659 -0.729 1.00 32.23 H new ATOM 0 HA THR A 89 13.099 7.935 1.178 1.00 63.13 H new ATOM 0 HB THR A 89 10.220 8.615 1.555 1.00 30.34 H new ATOM 0 HG1 THR A 89 11.251 10.685 2.604 1.00 73.12 H new ATOM 0 HG21 THR A 89 10.952 8.872 3.895 1.00 53.34 H new ATOM 0 HG22 THR A 89 11.458 7.307 3.215 1.00 53.34 H new ATOM 0 HG23 THR A 89 12.641 8.626 3.389 1.00 53.34 H new ATOM 1247 N LYS A 90 12.006 5.802 0.518 1.00 34.45 N ATOM 1248 CA LYS A 90 11.437 4.535 0.079 1.00 22.01 C ATOM 1249 C LYS A 90 10.751 3.816 1.237 1.00 65.13 C ATOM 1250 O LYS A 90 11.221 3.862 2.374 1.00 23.52 O ATOM 1251 CB LYS A 90 12.528 3.640 -0.515 1.00 24.32 C ATOM 1252 CG LYS A 90 13.641 3.308 0.465 1.00 64.23 C ATOM 1253 CD LYS A 90 14.881 2.801 -0.253 1.00 30.13 C ATOM 1254 CE LYS A 90 14.522 2.078 -1.543 1.00 1.52 C ATOM 1255 NZ LYS A 90 15.681 1.322 -2.096 1.00 34.13 N ATOM 0 H LYS A 90 12.844 5.711 1.092 1.00 34.45 H new ATOM 0 HA LYS A 90 10.692 4.747 -0.688 1.00 22.01 H new ATOM 0 HB2 LYS A 90 12.075 2.713 -0.866 1.00 24.32 H new ATOM 0 HB3 LYS A 90 12.958 4.134 -1.386 1.00 24.32 H new ATOM 0 HG2 LYS A 90 13.893 4.195 1.046 1.00 64.23 H new ATOM 0 HG3 LYS A 90 13.293 2.553 1.170 1.00 64.23 H new ATOM 0 HD2 LYS A 90 15.542 3.639 -0.476 1.00 30.13 H new ATOM 0 HD3 LYS A 90 15.432 2.126 0.402 1.00 30.13 H new ATOM 0 HE2 LYS A 90 13.696 1.392 -1.357 1.00 1.52 H new ATOM 0 HE3 LYS A 90 14.175 2.802 -2.281 1.00 1.52 H new ATOM 0 HZ1 LYS A 90 15.396 0.843 -2.974 1.00 34.13 H new ATOM 0 HZ2 LYS A 90 16.461 1.980 -2.297 1.00 34.13 H new ATOM 0 HZ3 LYS A 90 15.996 0.614 -1.403 1.00 34.13 H new ATOM 1265 N SER A 91 9.637 3.154 0.940 1.00 63.32 N ATOM 1266 CA SER A 91 8.885 2.428 1.957 1.00 0.33 C ATOM 1267 C SER A 91 8.231 1.183 1.364 1.00 31.42 C ATOM 1268 O SER A 91 7.430 1.273 0.435 1.00 0.03 O ATOM 1269 CB SER A 91 7.818 3.333 2.575 1.00 4.20 C ATOM 1270 OG SER A 91 8.303 4.654 2.739 1.00 11.23 O ATOM 0 H SER A 91 9.235 3.105 0.004 1.00 63.32 H new ATOM 0 HA SER A 91 9.582 2.116 2.735 1.00 0.33 H new ATOM 0 HB2 SER A 91 6.933 3.344 1.939 1.00 4.20 H new ATOM 0 HB3 SER A 91 7.512 2.932 3.541 1.00 4.20 H new ATOM 0 HG SER A 91 7.793 5.263 2.166 1.00 11.23 H new ATOM 1275 N ASN A 92 8.582 0.022 1.908 1.00 11.25 N ATOM 1276 CA ASN A 92 8.029 -1.241 1.434 1.00 50.32 C ATOM 1277 C ASN A 92 7.405 -2.028 2.583 1.00 74.02 C ATOM 1278 O ASN A 92 8.072 -2.337 3.571 1.00 31.04 O ATOM 1279 CB ASN A 92 9.120 -2.078 0.762 1.00 40.13 C ATOM 1280 CG ASN A 92 8.560 -3.286 0.038 1.00 33.31 C ATOM 1281 OD1 ASN A 92 8.561 -3.343 -1.192 1.00 1.01 O ATOM 1282 ND2 ASN A 92 8.075 -4.261 0.800 1.00 73.21 N ATOM 0 H ASN A 92 9.246 -0.070 2.677 1.00 11.25 H new ATOM 0 HA ASN A 92 7.250 -1.017 0.705 1.00 50.32 H new ATOM 0 HB2 ASN A 92 9.667 -1.455 0.054 1.00 40.13 H new ATOM 0 HB3 ASN A 92 9.835 -2.409 1.515 1.00 40.13 H new ATOM 0 HD21 ASN A 92 7.683 -5.098 0.369 1.00 73.21 H new ATOM 0 HD22 ASN A 92 8.094 -4.172 1.816 1.00 73.21 H new ATOM 1288 N TYR A 93 6.124 -2.349 2.445 1.00 1.10 N ATOM 1289 CA TYR A 93 5.408 -3.098 3.472 1.00 73.52 C ATOM 1290 C TYR A 93 4.744 -4.336 2.879 1.00 51.24 C ATOM 1291 O TYR A 93 3.984 -4.244 1.915 1.00 42.44 O ATOM 1292 CB TYR A 93 4.356 -2.211 4.140 1.00 75.15 C ATOM 1293 CG TYR A 93 4.934 -1.233 5.138 1.00 64.42 C ATOM 1294 CD1 TYR A 93 5.816 -0.239 4.735 1.00 32.10 C ATOM 1295 CD2 TYR A 93 4.596 -1.303 6.484 1.00 45.45 C ATOM 1296 CE1 TYR A 93 6.348 0.657 5.644 1.00 24.23 C ATOM 1297 CE2 TYR A 93 5.120 -0.412 7.400 1.00 11.32 C ATOM 1298 CZ TYR A 93 5.997 0.566 6.975 1.00 22.32 C ATOM 1299 OH TYR A 93 6.521 1.456 7.884 1.00 44.44 O ATOM 0 H TYR A 93 5.559 -2.103 1.632 1.00 1.10 H new ATOM 0 HA TYR A 93 6.131 -3.420 4.222 1.00 73.52 H new ATOM 0 HB2 TYR A 93 3.818 -1.657 3.371 1.00 75.15 H new ATOM 0 HB3 TYR A 93 3.627 -2.844 4.645 1.00 75.15 H new ATOM 0 HD1 TYR A 93 6.091 -0.164 3.693 1.00 32.10 H new ATOM 0 HD2 TYR A 93 3.911 -2.068 6.820 1.00 45.45 H new ATOM 0 HE1 TYR A 93 7.034 1.423 5.314 1.00 24.23 H new ATOM 0 HE2 TYR A 93 4.845 -0.480 8.442 1.00 11.32 H new ATOM 0 HH TYR A 93 6.172 1.255 8.777 1.00 44.44 H new ATOM 1308 N ARG A 94 5.036 -5.494 3.463 1.00 11.02 N ATOM 1309 CA ARG A 94 4.468 -6.751 2.994 1.00 71.43 C ATOM 1310 C ARG A 94 3.108 -7.008 3.638 1.00 41.52 C ATOM 1311 O ARG A 94 2.949 -6.873 4.851 1.00 41.33 O ATOM 1312 CB ARG A 94 5.417 -7.911 3.301 1.00 52.41 C ATOM 1313 CG ARG A 94 6.887 -7.551 3.155 1.00 62.43 C ATOM 1314 CD ARG A 94 7.243 -7.242 1.709 1.00 21.22 C ATOM 1315 NE ARG A 94 7.683 -8.434 0.987 1.00 13.14 N ATOM 1316 CZ ARG A 94 8.819 -9.071 1.249 1.00 2.21 C ATOM 1317 NH1 ARG A 94 9.623 -8.636 2.208 1.00 44.43 N ATOM 1318 NH2 ARG A 94 9.150 -10.149 0.548 1.00 0.42 N ATOM 0 H ARG A 94 5.663 -5.587 4.262 1.00 11.02 H new ATOM 0 HA ARG A 94 4.332 -6.678 1.915 1.00 71.43 H new ATOM 0 HB2 ARG A 94 5.236 -8.258 4.318 1.00 52.41 H new ATOM 0 HB3 ARG A 94 5.188 -8.743 2.635 1.00 52.41 H new ATOM 0 HG2 ARG A 94 7.115 -6.687 3.780 1.00 62.43 H new ATOM 0 HG3 ARG A 94 7.502 -8.376 3.514 1.00 62.43 H new ATOM 0 HD2 ARG A 94 6.376 -6.813 1.206 1.00 21.22 H new ATOM 0 HD3 ARG A 94 8.032 -6.490 1.682 1.00 21.22 H new ATOM 0 HE ARG A 94 7.087 -8.796 0.243 1.00 13.14 H new ATOM 0 HH11 ARG A 94 9.371 -7.809 2.749 1.00 44.43 H new ATOM 0 HH12 ARG A 94 10.494 -9.128 2.406 1.00 44.43 H new ATOM 0 HH21 ARG A 94 8.532 -10.487 -0.190 1.00 0.42 H new ATOM 0 HH22 ARG A 94 10.022 -10.639 0.748 1.00 0.42 H new ATOM 1329 N VAL A 95 2.131 -7.378 2.816 1.00 23.12 N ATOM 1330 CA VAL A 95 0.785 -7.655 3.306 1.00 73.15 C ATOM 1331 C VAL A 95 0.365 -9.083 2.980 1.00 61.24 C ATOM 1332 O VAL A 95 0.531 -9.548 1.852 1.00 11.40 O ATOM 1333 CB VAL A 95 -0.243 -6.678 2.704 1.00 14.41 C ATOM 1334 CG1 VAL A 95 -1.658 -7.124 3.032 1.00 64.22 C ATOM 1335 CG2 VAL A 95 0.010 -5.264 3.206 1.00 1.33 C ATOM 0 H VAL A 95 2.246 -7.493 1.809 1.00 23.12 H new ATOM 0 HA VAL A 95 0.808 -7.525 4.388 1.00 73.15 H new ATOM 0 HB VAL A 95 -0.130 -6.680 1.620 1.00 14.41 H new ATOM 0 HG11 VAL A 95 -2.370 -6.422 2.599 1.00 64.22 H new ATOM 0 HG12 VAL A 95 -1.831 -8.118 2.619 1.00 64.22 H new ATOM 0 HG13 VAL A 95 -1.789 -7.153 4.114 1.00 64.22 H new ATOM 0 HG21 VAL A 95 -0.725 -4.587 2.771 1.00 1.33 H new ATOM 0 HG22 VAL A 95 -0.075 -5.243 4.292 1.00 1.33 H new ATOM 0 HG23 VAL A 95 1.012 -4.948 2.915 1.00 1.33 H new ATOM 1345 N ARG A 96 -0.184 -9.774 3.974 1.00 43.21 N ATOM 1346 CA ARG A 96 -0.628 -11.151 3.792 1.00 11.24 C ATOM 1347 C ARG A 96 -2.049 -11.337 4.319 1.00 44.34 C ATOM 1348 O ARG A 96 -2.354 -10.969 5.453 1.00 1.11 O ATOM 1349 CB ARG A 96 0.321 -12.115 4.505 1.00 54.14 C ATOM 1350 CG ARG A 96 0.800 -13.260 3.627 1.00 20.05 C ATOM 1351 CD ARG A 96 -0.357 -14.147 3.191 1.00 12.22 C ATOM 1352 NE ARG A 96 0.018 -15.034 2.093 1.00 14.33 N ATOM 1353 CZ ARG A 96 0.136 -14.633 0.832 1.00 22.51 C ATOM 1354 NH1 ARG A 96 -0.091 -13.367 0.511 1.00 41.10 N ATOM 1355 NH2 ARG A 96 0.481 -15.501 -0.111 1.00 70.14 N ATOM 0 H ARG A 96 -0.332 -9.403 4.913 1.00 43.21 H new ATOM 0 HA ARG A 96 -0.622 -11.370 2.724 1.00 11.24 H new ATOM 0 HB2 ARG A 96 1.186 -11.559 4.866 1.00 54.14 H new ATOM 0 HB3 ARG A 96 -0.182 -12.526 5.380 1.00 54.14 H new ATOM 0 HG2 ARG A 96 1.305 -12.860 2.748 1.00 20.05 H new ATOM 0 HG3 ARG A 96 1.532 -13.856 4.171 1.00 20.05 H new ATOM 0 HD2 ARG A 96 -0.697 -14.742 4.038 1.00 12.22 H new ATOM 0 HD3 ARG A 96 -1.196 -13.523 2.883 1.00 12.22 H new ATOM 0 HE ARG A 96 0.199 -16.015 2.306 1.00 14.33 H new ATOM 0 HH11 ARG A 96 -0.357 -12.698 1.233 1.00 41.10 H new ATOM 0 HH12 ARG A 96 0.000 -13.062 -0.458 1.00 41.10 H new ATOM 0 HH21 ARG A 96 0.656 -16.476 0.132 1.00 70.14 H new ATOM 0 HH22 ARG A 96 0.572 -15.193 -1.079 1.00 70.14 H new ATOM 1366 N VAL A 97 -2.912 -11.911 3.488 1.00 34.20 N ATOM 1367 CA VAL A 97 -4.299 -12.147 3.869 1.00 70.31 C ATOM 1368 C VAL A 97 -4.476 -13.539 4.466 1.00 71.35 C ATOM 1369 O VAL A 97 -3.508 -14.282 4.635 1.00 32.24 O ATOM 1370 CB VAL A 97 -5.247 -11.993 2.665 1.00 61.31 C ATOM 1371 CG1 VAL A 97 -5.110 -10.608 2.052 1.00 21.40 C ATOM 1372 CG2 VAL A 97 -4.972 -13.073 1.629 1.00 11.11 C ATOM 0 H VAL A 97 -2.675 -12.221 2.546 1.00 34.20 H new ATOM 0 HA VAL A 97 -4.552 -11.398 4.619 1.00 70.31 H new ATOM 0 HB VAL A 97 -6.273 -12.110 3.015 1.00 61.31 H new ATOM 0 HG11 VAL A 97 -5.787 -10.517 1.203 1.00 21.40 H new ATOM 0 HG12 VAL A 97 -5.360 -9.854 2.798 1.00 21.40 H new ATOM 0 HG13 VAL A 97 -4.084 -10.459 1.715 1.00 21.40 H new ATOM 0 HG21 VAL A 97 -5.651 -12.949 0.785 1.00 11.11 H new ATOM 0 HG22 VAL A 97 -3.942 -12.990 1.282 1.00 11.11 H new ATOM 0 HG23 VAL A 97 -5.126 -14.055 2.077 1.00 11.11 H new ATOM 1382 N TYR A 98 -5.719 -13.886 4.783 1.00 51.52 N ATOM 1383 CA TYR A 98 -6.022 -15.190 5.363 1.00 33.22 C ATOM 1384 C TYR A 98 -5.760 -16.307 4.360 1.00 61.15 C ATOM 1385 O TYR A 98 -4.707 -16.944 4.385 1.00 72.31 O ATOM 1386 CB TYR A 98 -7.480 -15.238 5.827 1.00 73.31 C ATOM 1387 CG TYR A 98 -7.924 -16.606 6.287 1.00 41.14 C ATOM 1388 CD1 TYR A 98 -7.317 -17.227 7.372 1.00 10.14 C ATOM 1389 CD2 TYR A 98 -8.950 -17.281 5.637 1.00 23.52 C ATOM 1390 CE1 TYR A 98 -7.719 -18.479 7.797 1.00 61.24 C ATOM 1391 CE2 TYR A 98 -9.361 -18.533 6.056 1.00 75.44 C ATOM 1392 CZ TYR A 98 -8.741 -19.127 7.135 1.00 65.23 C ATOM 1393 OH TYR A 98 -9.146 -20.374 7.553 1.00 41.22 O ATOM 0 H TYR A 98 -6.531 -13.284 4.649 1.00 51.52 H new ATOM 0 HA TYR A 98 -5.368 -15.338 6.222 1.00 33.22 H new ATOM 0 HB2 TYR A 98 -7.616 -14.528 6.643 1.00 73.31 H new ATOM 0 HB3 TYR A 98 -8.123 -14.912 5.010 1.00 73.31 H new ATOM 0 HD1 TYR A 98 -6.517 -16.722 7.892 1.00 10.14 H new ATOM 0 HD2 TYR A 98 -9.435 -16.820 4.790 1.00 23.52 H new ATOM 0 HE1 TYR A 98 -7.236 -18.947 8.642 1.00 61.24 H new ATOM 0 HE2 TYR A 98 -10.162 -19.042 5.542 1.00 75.44 H new ATOM 0 HH TYR A 98 -9.876 -20.690 6.981 1.00 41.22 H new ATOM 1402 N GLN A 99 -6.725 -16.539 3.476 1.00 4.21 N ATOM 1403 CA GLN A 99 -6.600 -17.580 2.463 1.00 44.14 C ATOM 1404 C GLN A 99 -5.439 -17.283 1.518 1.00 21.14 C ATOM 1405 O GLN A 99 -5.147 -16.124 1.225 1.00 64.10 O ATOM 1406 CB GLN A 99 -7.900 -17.708 1.668 1.00 43.14 C ATOM 1407 CG GLN A 99 -7.881 -18.836 0.648 1.00 15.41 C ATOM 1408 CD GLN A 99 -7.610 -20.187 1.279 1.00 43.42 C ATOM 1409 OE1 GLN A 99 -6.804 -20.971 0.775 1.00 53.14 O ATOM 1410 NE2 GLN A 99 -8.281 -20.470 2.390 1.00 64.25 N ATOM 0 H GLN A 99 -7.602 -16.020 3.441 1.00 4.21 H new ATOM 0 HA GLN A 99 -6.400 -18.523 2.971 1.00 44.14 H new ATOM 0 HB2 GLN A 99 -8.726 -17.870 2.361 1.00 43.14 H new ATOM 0 HB3 GLN A 99 -8.096 -16.767 1.153 1.00 43.14 H new ATOM 0 HG2 GLN A 99 -8.839 -18.867 0.128 1.00 15.41 H new ATOM 0 HG3 GLN A 99 -7.118 -18.630 -0.102 1.00 15.41 H new ATOM 0 HE21 GLN A 99 -8.940 -19.793 2.775 1.00 64.25 H new ATOM 0 HE22 GLN A 99 -8.138 -21.365 2.858 1.00 64.25 H new ATOM 1417 N ILE A 100 -4.781 -18.337 1.047 1.00 60.31 N ATOM 1418 CA ILE A 100 -3.655 -18.189 0.135 1.00 34.00 C ATOM 1419 C ILE A 100 -3.910 -18.919 -1.179 1.00 72.35 C ATOM 1420 O ILE A 100 -4.743 -19.821 -1.265 1.00 55.22 O ATOM 1421 CB ILE A 100 -2.351 -18.721 0.760 1.00 51.42 C ATOM 1422 CG1 ILE A 100 -2.665 -19.639 1.943 1.00 73.35 C ATOM 1423 CG2 ILE A 100 -1.464 -17.565 1.199 1.00 70.32 C ATOM 1424 CD1 ILE A 100 -1.436 -20.267 2.561 1.00 21.05 C ATOM 0 H ILE A 100 -5.009 -19.303 1.282 1.00 60.31 H new ATOM 0 HA ILE A 100 -3.547 -17.122 -0.061 1.00 34.00 H new ATOM 0 HB ILE A 100 -1.814 -19.300 0.008 1.00 51.42 H new ATOM 0 HG12 ILE A 100 -3.194 -19.068 2.706 1.00 73.35 H new ATOM 0 HG13 ILE A 100 -3.339 -20.429 1.611 1.00 73.35 H new ATOM 0 HG21 ILE A 100 -0.547 -17.957 1.639 1.00 70.32 H new ATOM 0 HG22 ILE A 100 -1.218 -16.947 0.335 1.00 70.32 H new ATOM 0 HG23 ILE A 100 -1.992 -16.962 1.938 1.00 70.32 H new ATOM 0 HD11 ILE A 100 -1.733 -20.905 3.393 1.00 21.05 H new ATOM 0 HD12 ILE A 100 -0.918 -20.866 1.812 1.00 21.05 H new ATOM 0 HD13 ILE A 100 -0.770 -19.484 2.924 1.00 21.05 H new ATOM 1435 N PRO A 101 -3.175 -18.522 -2.229 1.00 20.42 N ATOM 1436 CA PRO A 101 -3.303 -19.127 -3.559 1.00 53.42 C ATOM 1437 C PRO A 101 -2.767 -20.554 -3.598 1.00 24.25 C ATOM 1438 O PRO A 101 -2.393 -21.118 -2.570 1.00 30.24 O ATOM 1439 CB PRO A 101 -2.455 -18.214 -4.447 1.00 42.34 C ATOM 1440 CG PRO A 101 -1.461 -17.601 -3.522 1.00 34.05 C ATOM 1441 CD PRO A 101 -2.163 -17.453 -2.199 1.00 70.32 C ATOM 0 HA PRO A 101 -4.344 -19.204 -3.874 1.00 53.42 H new ATOM 0 HB2 PRO A 101 -1.963 -18.778 -5.239 1.00 42.34 H new ATOM 0 HB3 PRO A 101 -3.067 -17.453 -4.931 1.00 42.34 H new ATOM 0 HG2 PRO A 101 -0.577 -18.231 -3.426 1.00 34.05 H new ATOM 0 HG3 PRO A 101 -1.125 -16.634 -3.896 1.00 34.05 H new ATOM 0 HD2 PRO A 101 -1.474 -17.575 -1.363 1.00 70.32 H new ATOM 0 HD3 PRO A 101 -2.621 -16.469 -2.095 1.00 70.32 H new