USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=16 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 83 ASN : amide:sc= -0.409 X(o=-0.41,f=-0.48) USER MOD Set 1.2: A 89 THR OG1 : rot -130:sc= 0 USER MOD Set 2.1: A 61 ASN : amide:sc= -2.6 K(o=-2.5,f=-4.7!) USER MOD Set 2.2: A 63 SER OG : rot 103:sc= 0.121 USER MOD Set 3.1: A 32 LYS NZ :NH3+ 144:sc= 0.61 (180deg=0) USER MOD Set 3.2: A 80 GLN : amide:sc= 0.552 K(o=1.2,f=-4.1) USER MOD Set 4.1: A 23 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.137) USER MOD Set 4.2: A 24 LYS NZ :NH3+ -141:sc= 0 (180deg=-0.0477) USER MOD Single : A 4 GLN :FLIP amide:sc= 0 F(o=-0.52,f=0) USER MOD Single : A 5 ASN : amide:sc= -0.0531 K(o=-0.053,f=-1.5) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 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 34 ASN : amide:sc= -1.12 X(o=-1.1,f=-0.88) USER MOD Single : A 35 THR OG1 : rot 139:sc= 1.29 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 138:sc= 0.191 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 MET CE :methyl 148:sc= -1.13 (180deg=-4.94!) USER MOD Single : A 85 ASN : amide:sc=-0.00101 X(o=-0.001,f=-0.001) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 121:sc= -0.855 USER MOD Single : A 92 ASN : amide:sc= -2.41 K(o=-2.4,f=-9.5!) USER MOD Single : A 93 TYR OH : rot -147:sc= -0.102 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 GLN :FLIP amide:sc= -0.0119 F(o=-0.71,f=-0.012) USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 3 10.866 -3.128 5.098 1.00 35.51 N ATOM 19 CA ALA A 3 10.274 -4.450 4.944 1.00 2.43 C ATOM 20 C ALA A 3 9.517 -4.863 6.203 1.00 54.02 C ATOM 21 O ALA A 3 9.970 -5.726 6.955 1.00 4.23 O ATOM 22 CB ALA A 3 11.349 -5.475 4.614 1.00 40.22 C ATOM 0 HA ALA A 3 9.562 -4.408 4.120 1.00 2.43 H new ATOM 0 HB1 ALA A 3 10.892 -6.458 4.502 1.00 40.22 H new ATOM 0 HB2 ALA A 3 11.844 -5.197 3.684 1.00 40.22 H new ATOM 0 HB3 ALA A 3 12.082 -5.506 5.420 1.00 40.22 H new ATOM 28 N GLN A 4 8.364 -4.240 6.426 1.00 12.23 N ATOM 29 CA GLN A 4 7.547 -4.543 7.595 1.00 64.33 C ATOM 30 C GLN A 4 6.503 -5.606 7.268 1.00 11.42 C ATOM 31 O GLN A 4 5.813 -5.522 6.254 1.00 53.20 O ATOM 32 CB GLN A 4 6.857 -3.275 8.103 1.00 73.02 C ATOM 33 CG GLN A 4 6.758 -3.203 9.618 1.00 71.33 C ATOM 34 CD GLN A 4 6.284 -1.849 10.107 1.00 53.22 C ATOM 35 OE1 GLN A 4 4.976 -1.710 10.295 1.00 34.34 O flip ATOM 36 NE2 GLN A 4 7.084 -0.936 10.314 1.00 14.31 N flip ATOM 0 H GLN A 4 7.975 -3.523 5.813 1.00 12.23 H new ATOM 0 HA GLN A 4 8.203 -4.930 8.375 1.00 64.33 H new ATOM 0 HB2 GLN A 4 7.403 -2.404 7.741 1.00 73.02 H new ATOM 0 HB3 GLN A 4 5.854 -3.222 7.679 1.00 73.02 H new ATOM 0 HG2 GLN A 4 6.072 -3.973 9.971 1.00 71.33 H new ATOM 0 HG3 GLN A 4 7.733 -3.421 10.053 1.00 71.33 H new ATOM 0 HE21 GLN A 4 8.081 -1.086 10.157 1.00 14.31 H new ATOM 0 HE22 GLN A 4 6.750 -0.030 10.643 1.00 14.31 H new ATOM 43 N ASN A 5 6.397 -6.607 8.136 1.00 64.13 N ATOM 44 CA ASN A 5 5.437 -7.689 7.938 1.00 23.33 C ATOM 45 C ASN A 5 4.063 -7.303 8.479 1.00 12.43 C ATOM 46 O ASN A 5 3.914 -6.998 9.663 1.00 43.33 O ATOM 47 CB ASN A 5 5.929 -8.965 8.626 1.00 64.43 C ATOM 48 CG ASN A 5 7.125 -9.576 7.924 1.00 0.55 C ATOM 49 OD1 ASN A 5 8.078 -8.878 7.577 1.00 72.24 O ATOM 50 ND2 ASN A 5 7.081 -10.886 7.713 1.00 42.13 N ATOM 0 H ASN A 5 6.962 -6.692 8.981 1.00 64.13 H new ATOM 0 HA ASN A 5 5.347 -7.872 6.867 1.00 23.33 H new ATOM 0 HB2 ASN A 5 6.194 -8.738 9.659 1.00 64.43 H new ATOM 0 HB3 ASN A 5 5.119 -9.693 8.657 1.00 64.43 H new ATOM 0 HD21 ASN A 5 7.858 -11.354 7.246 1.00 42.13 H new ATOM 0 HD22 ASN A 5 6.270 -11.425 8.018 1.00 42.13 H new ATOM 56 N ILE A 6 3.065 -7.320 7.604 1.00 61.42 N ATOM 57 CA ILE A 6 1.703 -6.974 7.993 1.00 53.04 C ATOM 58 C ILE A 6 0.727 -8.089 7.634 1.00 74.14 C ATOM 59 O ILE A 6 0.586 -8.454 6.467 1.00 0.41 O ATOM 60 CB ILE A 6 1.240 -5.666 7.322 1.00 54.25 C ATOM 61 CG1 ILE A 6 2.147 -4.506 7.738 1.00 61.34 C ATOM 62 CG2 ILE A 6 -0.207 -5.371 7.681 1.00 71.42 C ATOM 63 CD1 ILE A 6 2.145 -4.242 9.226 1.00 24.41 C ATOM 0 H ILE A 6 3.173 -7.569 6.621 1.00 61.42 H new ATOM 0 HA ILE A 6 1.710 -6.836 9.074 1.00 53.04 H new ATOM 0 HB ILE A 6 1.308 -5.785 6.241 1.00 54.25 H new ATOM 0 HG12 ILE A 6 3.166 -4.719 7.416 1.00 61.34 H new ATOM 0 HG13 ILE A 6 1.830 -3.603 7.216 1.00 61.34 H new ATOM 0 HG21 ILE A 6 -0.520 -4.444 7.200 1.00 71.42 H new ATOM 0 HG22 ILE A 6 -0.841 -6.189 7.339 1.00 71.42 H new ATOM 0 HG23 ILE A 6 -0.300 -5.268 8.762 1.00 71.42 H new ATOM 0 HD11 ILE A 6 2.809 -3.407 9.448 1.00 24.41 H new ATOM 0 HD12 ILE A 6 1.134 -3.997 9.551 1.00 24.41 H new ATOM 0 HD13 ILE A 6 2.490 -5.131 9.754 1.00 24.41 H new ATOM 74 N THR A 7 0.053 -8.627 8.646 1.00 53.45 N ATOM 75 CA THR A 7 -0.911 -9.701 8.437 1.00 53.41 C ATOM 76 C THR A 7 -2.331 -9.156 8.347 1.00 72.00 C ATOM 77 O THR A 7 -2.716 -8.274 9.112 1.00 2.12 O ATOM 78 CB THR A 7 -0.844 -10.743 9.569 1.00 14.31 C ATOM 79 OG1 THR A 7 -0.936 -10.092 10.841 1.00 23.43 O ATOM 80 CG2 THR A 7 0.451 -11.540 9.497 1.00 60.22 C ATOM 0 H THR A 7 0.157 -8.337 9.618 1.00 53.45 H new ATOM 0 HA THR A 7 -0.649 -10.181 7.494 1.00 53.41 H new ATOM 0 HB THR A 7 -1.683 -11.429 9.449 1.00 14.31 H new ATOM 0 HG1 THR A 7 -0.894 -10.762 11.555 1.00 23.43 H new ATOM 0 HG21 THR A 7 0.475 -12.269 10.307 1.00 60.22 H new ATOM 0 HG22 THR A 7 0.506 -12.059 8.540 1.00 60.22 H new ATOM 0 HG23 THR A 7 1.300 -10.864 9.593 1.00 60.22 H new ATOM 88 N ALA A 8 -3.105 -9.687 7.406 1.00 74.40 N ATOM 89 CA ALA A 8 -4.483 -9.255 7.218 1.00 41.13 C ATOM 90 C ALA A 8 -5.354 -10.401 6.714 1.00 33.22 C ATOM 91 O ALA A 8 -4.846 -11.435 6.282 1.00 2.52 O ATOM 92 CB ALA A 8 -4.541 -8.081 6.251 1.00 22.12 C ATOM 0 H ALA A 8 -2.800 -10.417 6.762 1.00 74.40 H new ATOM 0 HA ALA A 8 -4.872 -8.935 8.185 1.00 41.13 H new ATOM 0 HB1 ALA A 8 -5.577 -7.769 6.120 1.00 22.12 H new ATOM 0 HB2 ALA A 8 -3.959 -7.251 6.652 1.00 22.12 H new ATOM 0 HB3 ALA A 8 -4.128 -8.382 5.288 1.00 22.12 H new ATOM 98 N ARG A 9 -6.668 -10.209 6.772 1.00 64.31 N ATOM 99 CA ARG A 9 -7.609 -11.228 6.323 1.00 23.34 C ATOM 100 C ARG A 9 -8.526 -10.681 5.233 1.00 14.25 C ATOM 101 O ARG A 9 -8.841 -9.491 5.215 1.00 61.31 O ATOM 102 CB ARG A 9 -8.445 -11.735 7.499 1.00 12.12 C ATOM 103 CG ARG A 9 -8.013 -13.100 8.011 1.00 45.22 C ATOM 104 CD ARG A 9 -7.274 -12.992 9.335 1.00 75.11 C ATOM 105 NE ARG A 9 -7.224 -14.269 10.041 1.00 24.15 N ATOM 106 CZ ARG A 9 -6.390 -14.523 11.044 1.00 64.53 C ATOM 107 NH1 ARG A 9 -5.541 -13.593 11.455 1.00 65.20 N ATOM 108 NH2 ARG A 9 -6.407 -15.710 11.636 1.00 1.53 N ATOM 0 H ARG A 9 -7.105 -9.358 7.125 1.00 64.31 H new ATOM 0 HA ARG A 9 -7.035 -12.057 5.909 1.00 23.34 H new ATOM 0 HB2 ARG A 9 -8.384 -11.014 8.315 1.00 12.12 H new ATOM 0 HB3 ARG A 9 -9.491 -11.785 7.196 1.00 12.12 H new ATOM 0 HG2 ARG A 9 -8.889 -13.737 8.133 1.00 45.22 H new ATOM 0 HG3 ARG A 9 -7.370 -13.580 7.273 1.00 45.22 H new ATOM 0 HD2 ARG A 9 -6.259 -12.637 9.155 1.00 75.11 H new ATOM 0 HD3 ARG A 9 -7.765 -12.249 9.964 1.00 75.11 H new ATOM 0 HE ARG A 9 -7.865 -15.007 9.748 1.00 24.15 H new ATOM 0 HH11 ARG A 9 -5.526 -12.679 11.001 1.00 65.20 H new ATOM 0 HH12 ARG A 9 -4.902 -13.790 12.225 1.00 65.20 H new ATOM 0 HH21 ARG A 9 -7.060 -16.428 11.321 1.00 1.53 H new ATOM 0 HH22 ARG A 9 -5.767 -15.905 12.406 1.00 1.53 H new ATOM 119 N ILE A 10 -8.949 -11.555 4.328 1.00 75.01 N ATOM 120 CA ILE A 10 -9.829 -11.158 3.236 1.00 23.24 C ATOM 121 C ILE A 10 -11.051 -10.410 3.759 1.00 71.01 C ATOM 122 O ILE A 10 -11.817 -10.937 4.563 1.00 3.32 O ATOM 123 CB ILE A 10 -10.299 -12.378 2.420 1.00 54.25 C ATOM 124 CG1 ILE A 10 -9.098 -13.100 1.805 1.00 52.13 C ATOM 125 CG2 ILE A 10 -11.275 -11.945 1.336 1.00 24.40 C ATOM 126 CD1 ILE A 10 -9.385 -14.537 1.430 1.00 44.34 C ATOM 0 H ILE A 10 -8.697 -12.543 4.329 1.00 75.01 H new ATOM 0 HA ILE A 10 -9.251 -10.498 2.589 1.00 23.24 H new ATOM 0 HB ILE A 10 -10.812 -13.069 3.089 1.00 54.25 H new ATOM 0 HG12 ILE A 10 -8.775 -12.558 0.916 1.00 52.13 H new ATOM 0 HG13 ILE A 10 -8.269 -13.076 2.512 1.00 52.13 H new ATOM 0 HG21 ILE A 10 -11.598 -12.817 0.768 1.00 24.40 H new ATOM 0 HG22 ILE A 10 -12.142 -11.470 1.795 1.00 24.40 H new ATOM 0 HG23 ILE A 10 -10.785 -11.237 0.667 1.00 24.40 H new ATOM 0 HD11 ILE A 10 -8.490 -14.987 1.000 1.00 44.34 H new ATOM 0 HD12 ILE A 10 -9.679 -15.093 2.320 1.00 44.34 H new ATOM 0 HD13 ILE A 10 -10.193 -14.568 0.699 1.00 44.34 H new ATOM 137 N GLY A 11 -11.226 -9.177 3.294 1.00 72.42 N ATOM 138 CA GLY A 11 -12.357 -8.376 3.723 1.00 25.31 C ATOM 139 C GLY A 11 -12.058 -7.574 4.975 1.00 11.34 C ATOM 140 O GLY A 11 -12.944 -6.927 5.531 1.00 14.01 O ATOM 0 H GLY A 11 -10.604 -8.719 2.628 1.00 72.42 H new ATOM 0 HA2 GLY A 11 -12.643 -7.697 2.920 1.00 25.31 H new ATOM 0 HA3 GLY A 11 -13.211 -9.028 3.908 1.00 25.31 H new ATOM 144 N GLU A 12 -10.805 -7.617 5.418 1.00 52.45 N ATOM 145 CA GLU A 12 -10.393 -6.891 6.612 1.00 3.05 C ATOM 146 C GLU A 12 -9.663 -5.603 6.241 1.00 11.02 C ATOM 147 O GLU A 12 -8.858 -5.562 5.310 1.00 12.32 O ATOM 148 CB GLU A 12 -9.491 -7.767 7.484 1.00 3.42 C ATOM 149 CG GLU A 12 -10.145 -9.068 7.922 1.00 12.01 C ATOM 150 CD GLU A 12 -11.574 -8.873 8.390 1.00 11.14 C ATOM 151 OE1 GLU A 12 -11.765 -8.410 9.534 1.00 71.23 O ATOM 152 OE2 GLU A 12 -12.501 -9.185 7.613 1.00 15.23 O ATOM 0 H GLU A 12 -10.059 -8.147 4.968 1.00 52.45 H new ATOM 0 HA GLU A 12 -11.290 -6.632 7.175 1.00 3.05 H new ATOM 0 HB2 GLU A 12 -8.579 -7.996 6.933 1.00 3.42 H new ATOM 0 HB3 GLU A 12 -9.196 -7.203 8.369 1.00 3.42 H new ATOM 0 HG2 GLU A 12 -10.131 -9.775 7.092 1.00 12.01 H new ATOM 0 HG3 GLU A 12 -9.560 -9.511 8.728 1.00 12.01 H new ATOM 157 N PRO A 13 -9.951 -4.525 6.986 1.00 13.24 N ATOM 158 CA PRO A 13 -9.334 -3.215 6.754 1.00 52.44 C ATOM 159 C PRO A 13 -7.855 -3.198 7.124 1.00 13.45 C ATOM 160 O PRO A 13 -7.441 -3.827 8.100 1.00 11.11 O ATOM 161 CB PRO A 13 -10.126 -2.283 7.673 1.00 72.54 C ATOM 162 CG PRO A 13 -10.644 -3.166 8.755 1.00 43.13 C ATOM 163 CD PRO A 13 -10.900 -4.501 8.111 1.00 23.02 C ATOM 0 HA PRO A 13 -9.367 -2.929 5.703 1.00 52.44 H new ATOM 0 HB2 PRO A 13 -9.493 -1.493 8.076 1.00 72.54 H new ATOM 0 HB3 PRO A 13 -10.940 -1.796 7.136 1.00 72.54 H new ATOM 0 HG2 PRO A 13 -9.921 -3.256 9.566 1.00 43.13 H new ATOM 0 HG3 PRO A 13 -11.558 -2.759 9.187 1.00 43.13 H new ATOM 0 HD2 PRO A 13 -10.722 -5.323 8.805 1.00 23.02 H new ATOM 0 HD3 PRO A 13 -11.931 -4.591 7.769 1.00 23.02 H new ATOM 168 N LEU A 14 -7.062 -2.473 6.343 1.00 12.12 N ATOM 169 CA LEU A 14 -5.628 -2.374 6.590 1.00 70.31 C ATOM 170 C LEU A 14 -5.108 -0.986 6.226 1.00 2.44 C ATOM 171 O LEU A 14 -5.538 -0.390 5.239 1.00 34.45 O ATOM 172 CB LEU A 14 -4.876 -3.437 5.787 1.00 5.10 C ATOM 173 CG LEU A 14 -3.387 -3.588 6.099 1.00 31.53 C ATOM 174 CD1 LEU A 14 -3.188 -4.167 7.492 1.00 45.53 C ATOM 175 CD2 LEU A 14 -2.708 -4.461 5.054 1.00 63.31 C ATOM 0 H LEU A 14 -7.388 -1.945 5.533 1.00 12.12 H new ATOM 0 HA LEU A 14 -5.456 -2.541 7.653 1.00 70.31 H new ATOM 0 HB2 LEU A 14 -5.361 -4.399 5.953 1.00 5.10 H new ATOM 0 HB3 LEU A 14 -4.983 -3.205 4.727 1.00 5.10 H new ATOM 0 HG LEU A 14 -2.928 -2.600 6.071 1.00 31.53 H new ATOM 0 HD11 LEU A 14 -2.122 -4.267 7.696 1.00 45.53 H new ATOM 0 HD12 LEU A 14 -3.638 -3.503 8.230 1.00 45.53 H new ATOM 0 HD13 LEU A 14 -3.662 -5.147 7.550 1.00 45.53 H new ATOM 0 HD21 LEU A 14 -1.649 -4.557 5.293 1.00 63.31 H new ATOM 0 HD22 LEU A 14 -3.170 -5.448 5.049 1.00 63.31 H new ATOM 0 HD23 LEU A 14 -2.818 -4.004 4.071 1.00 63.31 H new ATOM 186 N VAL A 15 -4.179 -0.480 7.030 1.00 14.02 N ATOM 187 CA VAL A 15 -3.597 0.837 6.792 1.00 5.43 C ATOM 188 C VAL A 15 -2.081 0.750 6.655 1.00 62.20 C ATOM 189 O VAL A 15 -1.437 -0.097 7.273 1.00 1.33 O ATOM 190 CB VAL A 15 -3.944 1.817 7.929 1.00 40.33 C ATOM 191 CG1 VAL A 15 -3.456 3.219 7.592 1.00 0.24 C ATOM 192 CG2 VAL A 15 -5.441 1.815 8.195 1.00 40.11 C ATOM 0 H VAL A 15 -3.813 -0.961 7.852 1.00 14.02 H new ATOM 0 HA VAL A 15 -4.023 1.209 5.860 1.00 5.43 H new ATOM 0 HB VAL A 15 -3.437 1.489 8.836 1.00 40.33 H new ATOM 0 HG11 VAL A 15 -3.710 3.898 8.406 1.00 0.24 H new ATOM 0 HG12 VAL A 15 -2.375 3.205 7.455 1.00 0.24 H new ATOM 0 HG13 VAL A 15 -3.934 3.560 6.673 1.00 0.24 H new ATOM 0 HG21 VAL A 15 -5.668 2.513 9.001 1.00 40.11 H new ATOM 0 HG22 VAL A 15 -5.971 2.118 7.292 1.00 40.11 H new ATOM 0 HG23 VAL A 15 -5.758 0.813 8.483 1.00 40.11 H new ATOM 202 N LEU A 16 -1.516 1.635 5.840 1.00 43.21 N ATOM 203 CA LEU A 16 -0.074 1.661 5.621 1.00 44.31 C ATOM 204 C LEU A 16 0.470 3.081 5.738 1.00 3.44 C ATOM 205 O LEU A 16 -0.217 4.049 5.414 1.00 31.42 O ATOM 206 CB LEU A 16 0.263 1.086 4.243 1.00 2.43 C ATOM 207 CG LEU A 16 -0.007 -0.408 4.055 1.00 34.34 C ATOM 208 CD1 LEU A 16 0.471 -0.868 2.687 1.00 74.23 C ATOM 209 CD2 LEU A 16 0.667 -1.214 5.157 1.00 34.13 C ATOM 0 H LEU A 16 -2.034 2.343 5.320 1.00 43.21 H new ATOM 0 HA LEU A 16 0.396 1.047 6.390 1.00 44.31 H new ATOM 0 HB2 LEU A 16 -0.307 1.635 3.493 1.00 2.43 H new ATOM 0 HB3 LEU A 16 1.318 1.272 4.042 1.00 2.43 H new ATOM 0 HG LEU A 16 -1.082 -0.575 4.116 1.00 34.34 H new ATOM 0 HD11 LEU A 16 0.271 -1.933 2.571 1.00 74.23 H new ATOM 0 HD12 LEU A 16 -0.057 -0.313 1.912 1.00 74.23 H new ATOM 0 HD13 LEU A 16 1.542 -0.688 2.596 1.00 74.23 H new ATOM 0 HD21 LEU A 16 0.465 -2.275 5.008 1.00 34.13 H new ATOM 0 HD22 LEU A 16 1.743 -1.042 5.127 1.00 34.13 H new ATOM 0 HD23 LEU A 16 0.277 -0.903 6.126 1.00 34.13 H new ATOM 220 N LYS A 17 1.709 3.198 6.204 1.00 3.21 N ATOM 221 CA LYS A 17 2.347 4.499 6.362 1.00 31.31 C ATOM 222 C LYS A 17 3.502 4.660 5.378 1.00 75.32 C ATOM 223 O LYS A 17 4.113 3.679 4.954 1.00 23.45 O ATOM 224 CB LYS A 17 2.856 4.670 7.795 1.00 61.05 C ATOM 225 CG LYS A 17 2.646 6.068 8.353 1.00 51.51 C ATOM 226 CD LYS A 17 2.035 6.027 9.743 1.00 42.43 C ATOM 227 CE LYS A 17 0.517 5.940 9.681 1.00 12.31 C ATOM 228 NZ LYS A 17 -0.133 7.064 10.407 1.00 75.42 N ATOM 0 H LYS A 17 2.291 2.407 6.479 1.00 3.21 H new ATOM 0 HA LYS A 17 1.604 5.269 6.153 1.00 31.31 H new ATOM 0 HB2 LYS A 17 2.350 3.951 8.439 1.00 61.05 H new ATOM 0 HB3 LYS A 17 3.919 4.432 7.825 1.00 61.05 H new ATOM 0 HG2 LYS A 17 3.600 6.593 8.389 1.00 51.51 H new ATOM 0 HG3 LYS A 17 1.996 6.633 7.685 1.00 51.51 H new ATOM 0 HD2 LYS A 17 2.428 5.170 10.289 1.00 42.43 H new ATOM 0 HD3 LYS A 17 2.327 6.919 10.297 1.00 42.43 H new ATOM 0 HE2 LYS A 17 0.195 5.946 8.640 1.00 12.31 H new ATOM 0 HE3 LYS A 17 0.190 4.993 10.110 1.00 12.31 H new ATOM 0 HZ1 LYS A 17 -1.166 6.968 10.341 1.00 75.42 H new ATOM 0 HZ2 LYS A 17 0.154 7.044 11.407 1.00 75.42 H new ATOM 0 HZ3 LYS A 17 0.159 7.967 9.982 1.00 75.42 H new ATOM 238 N CYS A 18 3.798 5.905 5.020 1.00 70.34 N ATOM 239 CA CYS A 18 4.880 6.197 4.087 1.00 63.24 C ATOM 240 C CYS A 18 6.085 6.781 4.819 1.00 52.13 C ATOM 241 O CYS A 18 6.098 7.960 5.175 1.00 23.32 O ATOM 242 CB CYS A 18 4.402 7.172 3.007 1.00 14.41 C ATOM 243 SG CYS A 18 5.227 6.958 1.397 1.00 12.15 S ATOM 0 H CYS A 18 3.303 6.729 5.362 1.00 70.34 H new ATOM 0 HA CYS A 18 5.182 5.262 3.614 1.00 63.24 H new ATOM 0 HB2 CYS A 18 3.327 7.050 2.872 1.00 14.41 H new ATOM 0 HB3 CYS A 18 4.566 8.192 3.355 1.00 14.41 H new ATOM 247 N LYS A 19 7.098 5.948 5.036 1.00 32.53 N ATOM 248 CA LYS A 19 8.309 6.381 5.723 1.00 41.04 C ATOM 249 C LYS A 19 8.980 7.527 4.973 1.00 42.50 C ATOM 250 O LYS A 19 9.337 7.392 3.804 1.00 64.42 O ATOM 251 CB LYS A 19 9.285 5.211 5.865 1.00 3.15 C ATOM 252 CG LYS A 19 9.429 4.708 7.291 1.00 71.42 C ATOM 253 CD LYS A 19 8.271 3.808 7.685 1.00 1.43 C ATOM 254 CE LYS A 19 7.922 3.961 9.157 1.00 25.14 C ATOM 255 NZ LYS A 19 6.555 3.451 9.458 1.00 35.33 N ATOM 0 H LYS A 19 7.104 4.970 4.746 1.00 32.53 H new ATOM 0 HA LYS A 19 8.027 6.735 6.715 1.00 41.04 H new ATOM 0 HB2 LYS A 19 8.949 4.390 5.231 1.00 3.15 H new ATOM 0 HB3 LYS A 19 10.264 5.519 5.497 1.00 3.15 H new ATOM 0 HG2 LYS A 19 10.366 4.161 7.392 1.00 71.42 H new ATOM 0 HG3 LYS A 19 9.480 5.556 7.973 1.00 71.42 H new ATOM 0 HD2 LYS A 19 7.399 4.048 7.076 1.00 1.43 H new ATOM 0 HD3 LYS A 19 8.529 2.770 7.477 1.00 1.43 H new ATOM 0 HE2 LYS A 19 8.652 3.422 9.761 1.00 25.14 H new ATOM 0 HE3 LYS A 19 7.988 5.012 9.439 1.00 25.14 H new ATOM 0 HZ1 LYS A 19 6.354 3.573 10.471 1.00 35.33 H new ATOM 0 HZ2 LYS A 19 5.856 3.982 8.900 1.00 35.33 H new ATOM 0 HZ3 LYS A 19 6.499 2.442 9.213 1.00 35.33 H new ATOM 265 N GLY A 20 9.151 8.655 5.655 1.00 71.11 N ATOM 266 CA GLY A 20 9.779 9.809 5.037 1.00 55.40 C ATOM 267 C GLY A 20 8.917 11.051 5.118 1.00 71.31 C ATOM 268 O GLY A 20 9.427 12.160 5.281 1.00 44.22 O ATOM 0 H GLY A 20 8.866 8.791 6.625 1.00 71.11 H new ATOM 0 HA2 GLY A 20 10.735 10.002 5.523 1.00 55.40 H new ATOM 0 HA3 GLY A 20 9.992 9.586 3.992 1.00 55.40 H new ATOM 272 N ALA A 21 7.606 10.868 5.002 1.00 33.43 N ATOM 273 CA ALA A 21 6.670 11.986 5.063 1.00 42.33 C ATOM 274 C ALA A 21 6.183 12.217 6.489 1.00 10.44 C ATOM 275 O ALA A 21 5.750 11.294 7.180 1.00 1.33 O ATOM 276 CB ALA A 21 5.491 11.737 4.133 1.00 13.13 C ATOM 0 H ALA A 21 7.167 9.957 4.865 1.00 33.43 H new ATOM 0 HA ALA A 21 7.193 12.885 4.736 1.00 42.33 H new ATOM 0 HB1 ALA A 21 4.800 12.578 4.188 1.00 13.13 H new ATOM 0 HB2 ALA A 21 5.851 11.629 3.110 1.00 13.13 H new ATOM 0 HB3 ALA A 21 4.976 10.825 4.434 1.00 13.13 H new ATOM 282 N PRO A 22 6.254 13.477 6.943 1.00 20.02 N ATOM 283 CA PRO A 22 5.825 13.858 8.292 1.00 0.23 C ATOM 284 C PRO A 22 4.312 13.778 8.463 1.00 63.33 C ATOM 285 O PRO A 22 3.613 13.185 7.641 1.00 41.35 O ATOM 286 CB PRO A 22 6.301 15.307 8.420 1.00 33.03 C ATOM 287 CG PRO A 22 6.369 15.809 7.019 1.00 41.22 C ATOM 288 CD PRO A 22 6.758 14.626 6.174 1.00 33.44 C ATOM 0 HA PRO A 22 6.233 13.192 9.052 1.00 0.23 H new ATOM 0 HB2 PRO A 22 5.610 15.899 9.020 1.00 33.03 H new ATOM 0 HB3 PRO A 22 7.274 15.362 8.908 1.00 33.03 H new ATOM 0 HG2 PRO A 22 5.408 16.215 6.703 1.00 41.22 H new ATOM 0 HG3 PRO A 22 7.101 16.612 6.927 1.00 41.22 H new ATOM 0 HD2 PRO A 22 6.307 14.675 5.183 1.00 33.44 H new ATOM 0 HD3 PRO A 22 7.837 14.572 6.031 1.00 33.44 H new ATOM 293 N LYS A 23 3.809 14.380 9.535 1.00 61.33 N ATOM 294 CA LYS A 23 2.377 14.379 9.813 1.00 33.41 C ATOM 295 C LYS A 23 1.583 14.805 8.583 1.00 34.12 C ATOM 296 O LYS A 23 0.615 14.149 8.200 1.00 45.25 O ATOM 297 CB LYS A 23 2.065 15.314 10.984 1.00 4.03 C ATOM 298 CG LYS A 23 2.785 16.648 10.908 1.00 14.14 C ATOM 299 CD LYS A 23 3.582 16.924 12.172 1.00 53.52 C ATOM 300 CE LYS A 23 3.604 18.409 12.503 1.00 15.34 C ATOM 301 NZ LYS A 23 4.038 19.229 11.338 1.00 64.44 N ATOM 0 H LYS A 23 4.372 14.875 10.226 1.00 61.33 H new ATOM 0 HA LYS A 23 2.084 13.363 10.078 1.00 33.41 H new ATOM 0 HB2 LYS A 23 0.990 15.493 11.018 1.00 4.03 H new ATOM 0 HB3 LYS A 23 2.336 14.818 11.916 1.00 4.03 H new ATOM 0 HG2 LYS A 23 3.453 16.653 10.047 1.00 14.14 H new ATOM 0 HG3 LYS A 23 2.059 17.446 10.753 1.00 14.14 H new ATOM 0 HD2 LYS A 23 3.148 16.371 13.005 1.00 53.52 H new ATOM 0 HD3 LYS A 23 4.603 16.563 12.046 1.00 53.52 H new ATOM 0 HE2 LYS A 23 2.610 18.725 12.820 1.00 15.34 H new ATOM 0 HE3 LYS A 23 4.277 18.584 13.342 1.00 15.34 H new ATOM 0 HZ1 LYS A 23 4.236 20.200 11.652 1.00 64.44 H new ATOM 0 HZ2 LYS A 23 4.898 18.816 10.924 1.00 64.44 H new ATOM 0 HZ3 LYS A 23 3.283 19.244 10.623 1.00 64.44 H new ATOM 311 N LYS A 24 2.001 15.906 7.967 1.00 24.42 N ATOM 312 CA LYS A 24 1.330 16.418 6.780 1.00 74.45 C ATOM 313 C LYS A 24 2.183 16.196 5.534 1.00 0.45 C ATOM 314 O LYS A 24 3.410 16.118 5.599 1.00 31.33 O ATOM 315 CB LYS A 24 1.028 17.910 6.941 1.00 22.45 C ATOM 316 CG LYS A 24 2.173 18.813 6.512 1.00 3.11 C ATOM 317 CD LYS A 24 3.396 18.618 7.390 1.00 61.01 C ATOM 318 CE LYS A 24 4.203 19.900 7.515 1.00 21.14 C ATOM 319 NZ LYS A 24 3.543 20.885 8.415 1.00 0.22 N ATOM 0 H LYS A 24 2.802 16.460 8.271 1.00 24.42 H new ATOM 0 HA LYS A 24 0.393 15.874 6.662 1.00 74.45 H new ATOM 0 HB2 LYS A 24 0.142 18.158 6.356 1.00 22.45 H new ATOM 0 HB3 LYS A 24 0.788 18.113 7.985 1.00 22.45 H new ATOM 0 HG2 LYS A 24 2.432 18.605 5.474 1.00 3.11 H new ATOM 0 HG3 LYS A 24 1.853 19.854 6.558 1.00 3.11 H new ATOM 0 HD2 LYS A 24 3.085 18.285 8.380 1.00 61.01 H new ATOM 0 HD3 LYS A 24 4.024 17.831 6.972 1.00 61.01 H new ATOM 0 HE2 LYS A 24 5.197 19.668 7.897 1.00 21.14 H new ATOM 0 HE3 LYS A 24 4.337 20.343 6.528 1.00 21.14 H new ATOM 0 HZ1 LYS A 24 3.658 21.842 8.025 1.00 0.22 H new ATOM 0 HZ2 LYS A 24 2.530 20.661 8.491 1.00 0.22 H new ATOM 0 HZ3 LYS A 24 3.979 20.841 9.358 1.00 0.22 H new ATOM 366 N ARG A 28 5.242 16.598 -3.440 1.00 42.22 N ATOM 367 CA ARG A 28 4.517 15.600 -4.217 1.00 53.34 C ATOM 368 C ARG A 28 5.074 14.203 -3.960 1.00 21.05 C ATOM 369 O ARG A 28 6.287 13.993 -3.976 1.00 1.33 O ATOM 370 CB ARG A 28 4.600 15.925 -5.710 1.00 31.45 C ATOM 371 CG ARG A 28 3.690 15.067 -6.573 1.00 61.32 C ATOM 372 CD ARG A 28 4.100 15.116 -8.036 1.00 14.21 C ATOM 373 NE ARG A 28 5.278 14.295 -8.302 1.00 0.40 N ATOM 374 CZ ARG A 28 5.901 14.262 -9.474 1.00 1.35 C ATOM 375 NH1 ARG A 28 5.462 14.999 -10.483 1.00 20.23 N ATOM 376 NH2 ARG A 28 6.967 13.488 -9.639 1.00 1.04 N ATOM 0 HA ARG A 28 3.473 15.621 -3.905 1.00 53.34 H new ATOM 0 HB2 ARG A 28 4.345 16.974 -5.859 1.00 31.45 H new ATOM 0 HB3 ARG A 28 5.630 15.797 -6.044 1.00 31.45 H new ATOM 0 HG2 ARG A 28 3.719 14.036 -6.220 1.00 61.32 H new ATOM 0 HG3 ARG A 28 2.660 15.410 -6.471 1.00 61.32 H new ATOM 0 HD2 ARG A 28 3.272 14.773 -8.656 1.00 14.21 H new ATOM 0 HD3 ARG A 28 4.306 16.148 -8.320 1.00 14.21 H new ATOM 0 HE ARG A 28 5.642 13.715 -7.546 1.00 0.40 H new ATOM 0 HH11 ARG A 28 4.643 15.594 -10.361 1.00 20.23 H new ATOM 0 HH12 ARG A 28 5.943 14.971 -11.382 1.00 20.23 H new ATOM 0 HH21 ARG A 28 7.308 12.918 -8.865 1.00 1.04 H new ATOM 0 HH22 ARG A 28 7.445 13.463 -10.540 1.00 1.04 H new ATOM 387 N LEU A 29 4.178 13.251 -3.722 1.00 12.23 N ATOM 388 CA LEU A 29 4.578 11.872 -3.459 1.00 41.23 C ATOM 389 C LEU A 29 3.683 10.893 -4.212 1.00 42.25 C ATOM 390 O LEU A 29 2.550 11.217 -4.562 1.00 32.11 O ATOM 391 CB LEU A 29 4.524 11.581 -1.959 1.00 65.10 C ATOM 392 CG LEU A 29 3.231 11.977 -1.245 1.00 74.02 C ATOM 393 CD1 LEU A 29 2.132 10.965 -1.530 1.00 60.31 C ATOM 394 CD2 LEU A 29 3.467 12.103 0.253 1.00 25.42 C ATOM 0 H LEU A 29 3.170 13.408 -3.706 1.00 12.23 H new ATOM 0 HA LEU A 29 5.602 11.743 -3.810 1.00 41.23 H new ATOM 0 HB2 LEU A 29 4.685 10.513 -1.810 1.00 65.10 H new ATOM 0 HB3 LEU A 29 5.354 12.099 -1.479 1.00 65.10 H new ATOM 0 HG LEU A 29 2.911 12.947 -1.625 1.00 74.02 H new ATOM 0 HD11 LEU A 29 1.220 11.263 -1.014 1.00 60.31 H new ATOM 0 HD12 LEU A 29 1.945 10.924 -2.603 1.00 60.31 H new ATOM 0 HD13 LEU A 29 2.443 9.981 -1.178 1.00 60.31 H new ATOM 0 HD21 LEU A 29 2.536 12.385 0.745 1.00 25.42 H new ATOM 0 HD22 LEU A 29 3.812 11.148 0.649 1.00 25.42 H new ATOM 0 HD23 LEU A 29 4.222 12.866 0.439 1.00 25.42 H new ATOM 405 N GLU A 30 4.201 9.692 -4.455 1.00 63.12 N ATOM 406 CA GLU A 30 3.447 8.666 -5.164 1.00 51.22 C ATOM 407 C GLU A 30 3.473 7.346 -4.399 1.00 70.24 C ATOM 408 O GLU A 30 4.448 7.031 -3.718 1.00 11.41 O ATOM 409 CB GLU A 30 4.016 8.465 -6.570 1.00 40.14 C ATOM 410 CG GLU A 30 3.062 7.756 -7.518 1.00 1.14 C ATOM 411 CD GLU A 30 1.890 8.628 -7.926 1.00 32.24 C ATOM 412 OE1 GLU A 30 2.016 9.359 -8.930 1.00 55.45 O ATOM 413 OE2 GLU A 30 0.847 8.579 -7.241 1.00 14.21 O ATOM 0 H GLU A 30 5.138 9.407 -4.171 1.00 63.12 H new ATOM 0 HA GLU A 30 2.412 9.000 -5.243 1.00 51.22 H new ATOM 0 HB2 GLU A 30 4.276 9.437 -6.990 1.00 40.14 H new ATOM 0 HB3 GLU A 30 4.939 7.890 -6.500 1.00 40.14 H new ATOM 0 HG2 GLU A 30 3.606 7.445 -8.410 1.00 1.14 H new ATOM 0 HG3 GLU A 30 2.688 6.850 -7.041 1.00 1.14 H new ATOM 418 N TRP A 31 2.394 6.581 -4.517 1.00 52.32 N ATOM 419 CA TRP A 31 2.292 5.294 -3.836 1.00 72.43 C ATOM 420 C TRP A 31 2.158 4.156 -4.841 1.00 10.23 C ATOM 421 O TRP A 31 1.545 4.314 -5.896 1.00 3.02 O ATOM 422 CB TRP A 31 1.096 5.292 -2.882 1.00 30.41 C ATOM 423 CG TRP A 31 1.468 5.590 -1.462 1.00 4.25 C ATOM 424 CD1 TRP A 31 1.916 6.781 -0.964 1.00 1.10 C ATOM 425 CD2 TRP A 31 1.427 4.680 -0.357 1.00 35.42 C ATOM 426 NE1 TRP A 31 2.156 6.666 0.384 1.00 43.14 N ATOM 427 CE2 TRP A 31 1.862 5.388 0.781 1.00 35.02 C ATOM 428 CE3 TRP A 31 1.063 3.340 -0.216 1.00 43.12 C ATOM 429 CZ2 TRP A 31 1.944 4.797 2.040 1.00 50.45 C ATOM 430 CZ3 TRP A 31 1.144 2.753 1.032 1.00 52.12 C ATOM 431 CH2 TRP A 31 1.581 3.482 2.147 1.00 24.11 C ATOM 0 H TRP A 31 1.578 6.828 -5.077 1.00 52.32 H new ATOM 0 HA TRP A 31 3.206 5.141 -3.262 1.00 72.43 H new ATOM 0 HB2 TRP A 31 0.368 6.029 -3.222 1.00 30.41 H new ATOM 0 HB3 TRP A 31 0.608 4.319 -2.925 1.00 30.41 H new ATOM 0 HD1 TRP A 31 2.060 7.680 -1.544 1.00 1.10 H new ATOM 0 HE1 TRP A 31 2.498 7.411 0.991 1.00 43.14 H new ATOM 0 HE3 TRP A 31 0.723 2.771 -1.069 1.00 43.12 H new ATOM 0 HZ2 TRP A 31 2.282 5.356 2.900 1.00 50.45 H new ATOM 0 HZ3 TRP A 31 0.866 1.716 1.151 1.00 52.12 H new ATOM 0 HH2 TRP A 31 1.632 2.996 3.110 1.00 24.11 H new ATOM 441 N LYS A 32 2.738 3.008 -4.507 1.00 44.00 N ATOM 442 CA LYS A 32 2.682 1.841 -5.379 1.00 52.43 C ATOM 443 C LYS A 32 2.426 0.570 -4.574 1.00 40.14 C ATOM 444 O LYS A 32 2.914 0.425 -3.453 1.00 21.32 O ATOM 445 CB LYS A 32 3.988 1.702 -6.166 1.00 55.00 C ATOM 446 CG LYS A 32 4.106 2.677 -7.325 1.00 31.43 C ATOM 447 CD LYS A 32 5.434 2.528 -8.047 1.00 40.34 C ATOM 448 CE LYS A 32 5.852 3.827 -8.721 1.00 23.14 C ATOM 449 NZ LYS A 32 7.313 3.857 -9.008 1.00 51.24 N ATOM 0 H LYS A 32 3.252 2.861 -3.638 1.00 44.00 H new ATOM 0 HA LYS A 32 1.856 1.981 -6.077 1.00 52.43 H new ATOM 0 HB2 LYS A 32 4.829 1.852 -5.489 1.00 55.00 H new ATOM 0 HB3 LYS A 32 4.065 0.684 -6.549 1.00 55.00 H new ATOM 0 HG2 LYS A 32 3.289 2.510 -8.027 1.00 31.43 H new ATOM 0 HG3 LYS A 32 4.005 3.697 -6.955 1.00 31.43 H new ATOM 0 HD2 LYS A 32 6.203 2.221 -7.337 1.00 40.34 H new ATOM 0 HD3 LYS A 32 5.356 1.738 -8.794 1.00 40.34 H new ATOM 0 HE2 LYS A 32 5.297 3.949 -9.651 1.00 23.14 H new ATOM 0 HE3 LYS A 32 5.590 4.669 -8.081 1.00 23.14 H new ATOM 0 HZ1 LYS A 32 7.480 4.350 -9.908 1.00 51.24 H new ATOM 0 HZ2 LYS A 32 7.807 4.358 -8.242 1.00 51.24 H new ATOM 0 HZ3 LYS A 32 7.674 2.884 -9.074 1.00 51.24 H new ATOM 459 N LEU A 33 1.660 -0.347 -5.154 1.00 31.03 N ATOM 460 CA LEU A 33 1.340 -1.608 -4.490 1.00 35.43 C ATOM 461 C LEU A 33 1.413 -2.773 -5.472 1.00 12.34 C ATOM 462 O LEU A 33 0.916 -2.683 -6.594 1.00 5.43 O ATOM 463 CB LEU A 33 -0.054 -1.537 -3.865 1.00 41.31 C ATOM 464 CG LEU A 33 -0.654 -0.139 -3.719 1.00 22.24 C ATOM 465 CD1 LEU A 33 -2.146 -0.226 -3.435 1.00 32.23 C ATOM 466 CD2 LEU A 33 0.058 0.634 -2.616 1.00 42.03 C ATOM 0 H LEU A 33 1.249 -0.242 -6.082 1.00 31.03 H new ATOM 0 HA LEU A 33 2.076 -1.775 -3.703 1.00 35.43 H new ATOM 0 HB2 LEU A 33 -0.732 -2.140 -4.469 1.00 41.31 H new ATOM 0 HB3 LEU A 33 -0.011 -1.997 -2.878 1.00 41.31 H new ATOM 0 HG LEU A 33 -0.515 0.396 -4.658 1.00 22.24 H new ATOM 0 HD11 LEU A 33 -2.556 0.779 -3.334 1.00 32.23 H new ATOM 0 HD12 LEU A 33 -2.644 -0.740 -4.257 1.00 32.23 H new ATOM 0 HD13 LEU A 33 -2.309 -0.779 -2.510 1.00 32.23 H new ATOM 0 HD21 LEU A 33 -0.382 1.627 -2.526 1.00 42.03 H new ATOM 0 HD22 LEU A 33 -0.050 0.102 -1.671 1.00 42.03 H new ATOM 0 HD23 LEU A 33 1.116 0.727 -2.861 1.00 42.03 H new ATOM 477 N ASN A 34 2.033 -3.866 -5.038 1.00 0.10 N ATOM 478 CA ASN A 34 2.167 -5.051 -5.879 1.00 12.23 C ATOM 479 C ASN A 34 1.394 -6.226 -5.289 1.00 50.34 C ATOM 480 O ASN A 34 1.611 -6.614 -4.140 1.00 43.14 O ATOM 481 CB ASN A 34 3.643 -5.425 -6.034 1.00 73.32 C ATOM 482 CG ASN A 34 3.831 -6.763 -6.724 1.00 31.53 C ATOM 483 OD1 ASN A 34 3.708 -7.817 -6.101 1.00 35.24 O ATOM 484 ND2 ASN A 34 4.130 -6.725 -8.017 1.00 33.05 N ATOM 0 H ASN A 34 2.450 -3.956 -4.111 1.00 0.10 H new ATOM 0 HA ASN A 34 1.751 -4.820 -6.860 1.00 12.23 H new ATOM 0 HB2 ASN A 34 4.153 -4.650 -6.605 1.00 73.32 H new ATOM 0 HB3 ASN A 34 4.112 -5.457 -5.051 1.00 73.32 H new ATOM 0 HD21 ASN A 34 4.268 -7.593 -8.534 1.00 33.05 H new ATOM 0 HD22 ASN A 34 4.222 -5.828 -8.493 1.00 33.05 H new ATOM 490 N THR A 35 0.489 -6.790 -6.083 1.00 55.11 N ATOM 491 CA THR A 35 -0.318 -7.921 -5.642 1.00 63.15 C ATOM 492 C THR A 35 -0.463 -8.958 -6.749 1.00 74.21 C ATOM 493 O THR A 35 0.040 -8.773 -7.856 1.00 62.23 O ATOM 494 CB THR A 35 -1.719 -7.468 -5.192 1.00 5.42 C ATOM 495 OG1 THR A 35 -2.595 -7.388 -6.321 1.00 41.11 O ATOM 496 CG2 THR A 35 -1.654 -6.116 -4.498 1.00 24.33 C ATOM 0 H THR A 35 0.296 -6.481 -7.036 1.00 55.11 H new ATOM 0 HA THR A 35 0.201 -8.369 -4.795 1.00 63.15 H new ATOM 0 HB THR A 35 -2.104 -8.203 -4.486 1.00 5.42 H new ATOM 0 HG1 THR A 35 -3.474 -7.749 -6.079 1.00 41.11 H new ATOM 0 HG21 THR A 35 -2.656 -5.817 -4.189 1.00 24.33 H new ATOM 0 HG22 THR A 35 -1.010 -6.188 -3.621 1.00 24.33 H new ATOM 0 HG23 THR A 35 -1.249 -5.373 -5.185 1.00 24.33 H new ATOM 504 N GLY A 36 -1.155 -10.052 -6.443 1.00 70.41 N ATOM 505 CA GLY A 36 -1.354 -11.102 -7.423 1.00 44.24 C ATOM 506 C GLY A 36 -0.109 -11.939 -7.637 1.00 51.43 C ATOM 507 O GLY A 36 0.504 -12.411 -6.680 1.00 32.31 O ATOM 0 H GLY A 36 -1.581 -10.229 -5.533 1.00 70.41 H new ATOM 0 HA2 GLY A 36 -2.170 -11.747 -7.099 1.00 44.24 H new ATOM 0 HA3 GLY A 36 -1.656 -10.657 -8.371 1.00 44.24 H new ATOM 511 N ARG A 37 0.267 -12.125 -8.899 1.00 52.31 N ATOM 512 CA ARG A 37 1.446 -12.913 -9.237 1.00 21.42 C ATOM 513 C ARG A 37 2.538 -12.031 -9.835 1.00 72.30 C ATOM 514 O ARG A 37 3.725 -12.224 -9.569 1.00 64.13 O ATOM 515 CB ARG A 37 1.079 -14.026 -10.221 1.00 70.43 C ATOM 516 CG ARG A 37 0.144 -15.072 -9.637 1.00 71.44 C ATOM 517 CD ARG A 37 0.843 -15.915 -8.582 1.00 70.41 C ATOM 518 NE ARG A 37 1.828 -16.820 -9.169 1.00 51.33 N ATOM 519 CZ ARG A 37 2.601 -17.629 -8.453 1.00 74.21 C ATOM 520 NH1 ARG A 37 2.506 -17.644 -7.131 1.00 3.12 N ATOM 521 NH2 ARG A 37 3.474 -18.424 -9.060 1.00 70.50 N ATOM 0 H ARG A 37 -0.228 -11.741 -9.704 1.00 52.31 H new ATOM 0 HA ARG A 37 1.827 -13.360 -8.319 1.00 21.42 H new ATOM 0 HB2 ARG A 37 0.611 -13.583 -11.100 1.00 70.43 H new ATOM 0 HB3 ARG A 37 1.992 -14.516 -10.559 1.00 70.43 H new ATOM 0 HG2 ARG A 37 -0.724 -14.581 -9.196 1.00 71.44 H new ATOM 0 HG3 ARG A 37 -0.226 -15.717 -10.434 1.00 71.44 H new ATOM 0 HD2 ARG A 37 1.335 -15.261 -7.863 1.00 70.41 H new ATOM 0 HD3 ARG A 37 0.102 -16.494 -8.031 1.00 70.41 H new ATOM 0 HE ARG A 37 1.928 -16.831 -10.184 1.00 51.33 H new ATOM 0 HH11 ARG A 37 1.838 -17.033 -6.661 1.00 3.12 H new ATOM 0 HH12 ARG A 37 3.101 -18.266 -6.584 1.00 3.12 H new ATOM 0 HH21 ARG A 37 3.552 -18.414 -10.077 1.00 70.50 H new ATOM 0 HH22 ARG A 37 4.067 -19.045 -8.509 1.00 70.50 H new ATOM 532 N THR A 38 2.128 -11.058 -10.644 1.00 72.04 N ATOM 533 CA THR A 38 3.070 -10.147 -11.282 1.00 25.35 C ATOM 534 C THR A 38 2.344 -9.125 -12.149 1.00 45.21 C ATOM 535 O THR A 38 2.808 -7.998 -12.313 1.00 60.33 O ATOM 536 CB THR A 38 4.090 -10.909 -12.150 1.00 24.30 C ATOM 537 OG1 THR A 38 5.198 -10.058 -12.463 1.00 4.14 O ATOM 538 CG2 THR A 38 3.444 -11.402 -13.435 1.00 42.03 C ATOM 0 H THR A 38 1.150 -10.881 -10.872 1.00 72.04 H new ATOM 0 HA THR A 38 3.600 -9.630 -10.482 1.00 25.35 H new ATOM 0 HB THR A 38 4.443 -11.772 -11.585 1.00 24.30 H new ATOM 0 HG1 THR A 38 5.843 -10.550 -13.014 1.00 4.14 H new ATOM 0 HG21 THR A 38 4.183 -11.937 -14.032 1.00 42.03 H new ATOM 0 HG22 THR A 38 2.619 -12.072 -13.194 1.00 42.03 H new ATOM 0 HG23 THR A 38 3.067 -10.551 -14.002 1.00 42.03 H new ATOM 546 N GLU A 39 1.204 -9.526 -12.701 1.00 10.31 N ATOM 547 CA GLU A 39 0.414 -8.644 -13.552 1.00 15.31 C ATOM 548 C GLU A 39 -0.786 -8.086 -12.793 1.00 3.31 C ATOM 549 O GLU A 39 -1.849 -7.862 -13.371 1.00 71.44 O ATOM 550 CB GLU A 39 -0.059 -9.391 -14.800 1.00 13.25 C ATOM 551 CG GLU A 39 1.066 -9.756 -15.754 1.00 71.24 C ATOM 552 CD GLU A 39 0.732 -10.957 -16.619 1.00 31.23 C ATOM 553 OE1 GLU A 39 0.699 -12.083 -16.080 1.00 50.03 O ATOM 554 OE2 GLU A 39 0.505 -10.769 -17.831 1.00 41.25 O ATOM 0 H GLU A 39 0.806 -10.457 -12.574 1.00 10.31 H new ATOM 0 HA GLU A 39 1.048 -7.811 -13.856 1.00 15.31 H new ATOM 0 HB2 GLU A 39 -0.575 -10.301 -14.495 1.00 13.25 H new ATOM 0 HB3 GLU A 39 -0.786 -8.775 -15.328 1.00 13.25 H new ATOM 0 HG2 GLU A 39 1.286 -8.902 -16.394 1.00 71.24 H new ATOM 0 HG3 GLU A 39 1.969 -9.966 -15.181 1.00 71.24 H new ATOM 559 N ALA A 40 -0.608 -7.868 -11.495 1.00 4.34 N ATOM 560 CA ALA A 40 -1.676 -7.337 -10.656 1.00 45.43 C ATOM 561 C ALA A 40 -1.230 -6.067 -9.939 1.00 12.11 C ATOM 562 O ALA A 40 -2.031 -5.398 -9.285 1.00 65.04 O ATOM 563 CB ALA A 40 -2.127 -8.385 -9.648 1.00 32.35 C ATOM 0 H ALA A 40 0.265 -8.051 -11.001 1.00 4.34 H new ATOM 0 HA ALA A 40 -2.518 -7.083 -11.300 1.00 45.43 H new ATOM 0 HB1 ALA A 40 -2.925 -7.975 -9.029 1.00 32.35 H new ATOM 0 HB2 ALA A 40 -2.494 -9.264 -10.177 1.00 32.35 H new ATOM 0 HB3 ALA A 40 -1.285 -8.667 -9.016 1.00 32.35 H new ATOM 569 N TRP A 41 0.050 -5.741 -10.065 1.00 1.33 N ATOM 570 CA TRP A 41 0.602 -4.551 -9.428 1.00 31.04 C ATOM 571 C TRP A 41 -0.058 -3.288 -9.969 1.00 61.32 C ATOM 572 O TRP A 41 -0.156 -3.097 -11.181 1.00 72.21 O ATOM 573 CB TRP A 41 2.115 -4.485 -9.647 1.00 22.32 C ATOM 574 CG TRP A 41 2.498 -4.187 -11.064 1.00 44.12 C ATOM 575 CD1 TRP A 41 2.282 -4.981 -12.155 1.00 70.41 C ATOM 576 CD2 TRP A 41 3.162 -3.012 -11.544 1.00 42.30 C ATOM 577 NE1 TRP A 41 2.775 -4.370 -13.284 1.00 3.14 N ATOM 578 CE2 TRP A 41 3.318 -3.163 -12.936 1.00 61.44 C ATOM 579 CE3 TRP A 41 3.638 -1.850 -10.933 1.00 54.33 C ATOM 580 CZ2 TRP A 41 3.932 -2.192 -13.724 1.00 14.42 C ATOM 581 CZ3 TRP A 41 4.248 -0.889 -11.717 1.00 75.50 C ATOM 582 CH2 TRP A 41 4.389 -1.063 -13.100 1.00 55.23 C ATOM 0 H TRP A 41 0.726 -6.284 -10.602 1.00 1.33 H new ATOM 0 HA TRP A 41 0.399 -4.615 -8.359 1.00 31.04 H new ATOM 0 HB2 TRP A 41 2.536 -3.719 -8.996 1.00 22.32 H new ATOM 0 HB3 TRP A 41 2.559 -5.435 -9.350 1.00 22.32 H new ATOM 0 HD1 TRP A 41 1.796 -5.945 -12.134 1.00 70.41 H new ATOM 0 HE1 TRP A 41 2.741 -4.754 -14.228 1.00 3.14 H new ATOM 0 HE3 TRP A 41 3.531 -1.705 -9.868 1.00 54.33 H new ATOM 0 HZ2 TRP A 41 4.043 -2.326 -14.790 1.00 14.42 H new ATOM 0 HZ3 TRP A 41 4.623 0.012 -11.255 1.00 75.50 H new ATOM 0 HH2 TRP A 41 4.867 -0.291 -13.685 1.00 55.23 H new ATOM 592 N LYS A 42 -0.509 -2.427 -9.063 1.00 60.33 N ATOM 593 CA LYS A 42 -1.159 -1.179 -9.449 1.00 44.15 C ATOM 594 C LYS A 42 -0.547 0.005 -8.708 1.00 74.33 C ATOM 595 O LYS A 42 -0.017 -0.146 -7.608 1.00 31.21 O ATOM 596 CB LYS A 42 -2.661 -1.254 -9.164 1.00 11.02 C ATOM 597 CG LYS A 42 -2.989 -1.598 -7.720 1.00 52.43 C ATOM 598 CD LYS A 42 -3.390 -3.056 -7.573 1.00 24.23 C ATOM 599 CE LYS A 42 -3.789 -3.382 -6.142 1.00 23.40 C ATOM 600 NZ LYS A 42 -5.221 -3.070 -5.879 1.00 2.41 N ATOM 0 H LYS A 42 -0.436 -2.570 -8.056 1.00 60.33 H new ATOM 0 HA LYS A 42 -1.005 -1.033 -10.518 1.00 44.15 H new ATOM 0 HB2 LYS A 42 -3.118 -0.297 -9.414 1.00 11.02 H new ATOM 0 HB3 LYS A 42 -3.110 -2.002 -9.818 1.00 11.02 H new ATOM 0 HG2 LYS A 42 -2.124 -1.392 -7.090 1.00 52.43 H new ATOM 0 HG3 LYS A 42 -3.799 -0.959 -7.368 1.00 52.43 H new ATOM 0 HD2 LYS A 42 -4.222 -3.275 -8.243 1.00 24.23 H new ATOM 0 HD3 LYS A 42 -2.560 -3.695 -7.875 1.00 24.23 H new ATOM 0 HE2 LYS A 42 -3.606 -4.438 -5.946 1.00 23.40 H new ATOM 0 HE3 LYS A 42 -3.162 -2.817 -5.453 1.00 23.40 H new ATOM 0 HZ1 LYS A 42 -5.645 -3.834 -5.315 1.00 2.41 H new ATOM 0 HZ2 LYS A 42 -5.291 -2.174 -5.356 1.00 2.41 H new ATOM 0 HZ3 LYS A 42 -5.729 -2.984 -6.782 1.00 2.41 H new ATOM 610 N VAL A 43 -0.627 1.183 -9.319 1.00 23.41 N ATOM 611 CA VAL A 43 -0.083 2.395 -8.715 1.00 40.41 C ATOM 612 C VAL A 43 -1.146 3.129 -7.904 1.00 55.24 C ATOM 613 O VAL A 43 -2.215 3.461 -8.417 1.00 54.12 O ATOM 614 CB VAL A 43 0.481 3.350 -9.784 1.00 61.10 C ATOM 615 CG1 VAL A 43 1.025 4.614 -9.137 1.00 42.40 C ATOM 616 CG2 VAL A 43 1.558 2.653 -10.603 1.00 31.41 C ATOM 0 H VAL A 43 -1.062 1.324 -10.230 1.00 23.41 H new ATOM 0 HA VAL A 43 0.725 2.084 -8.053 1.00 40.41 H new ATOM 0 HB VAL A 43 -0.328 3.635 -10.457 1.00 61.10 H new ATOM 0 HG11 VAL A 43 1.419 5.277 -9.908 1.00 42.40 H new ATOM 0 HG12 VAL A 43 0.224 5.120 -8.598 1.00 42.40 H new ATOM 0 HG13 VAL A 43 1.822 4.352 -8.441 1.00 42.40 H new ATOM 0 HG21 VAL A 43 1.946 3.341 -11.354 1.00 31.41 H new ATOM 0 HG22 VAL A 43 2.368 2.338 -9.946 1.00 31.41 H new ATOM 0 HG23 VAL A 43 1.132 1.780 -11.097 1.00 31.41 H new ATOM 626 N LEU A 44 -0.843 3.378 -6.635 1.00 72.33 N ATOM 627 CA LEU A 44 -1.772 4.075 -5.751 1.00 23.55 C ATOM 628 C LEU A 44 -1.604 5.586 -5.865 1.00 32.04 C ATOM 629 O LEU A 44 -0.490 6.086 -6.030 1.00 4.01 O ATOM 630 CB LEU A 44 -1.555 3.634 -4.302 1.00 3.12 C ATOM 631 CG LEU A 44 -2.787 3.094 -3.573 1.00 10.51 C ATOM 632 CD1 LEU A 44 -2.482 2.872 -2.101 1.00 34.11 C ATOM 633 CD2 LEU A 44 -3.965 4.042 -3.740 1.00 13.22 C ATOM 0 H LEU A 44 0.037 3.108 -6.195 1.00 72.33 H new ATOM 0 HA LEU A 44 -2.787 3.818 -6.055 1.00 23.55 H new ATOM 0 HB2 LEU A 44 -0.783 2.864 -4.289 1.00 3.12 H new ATOM 0 HB3 LEU A 44 -1.167 4.483 -3.739 1.00 3.12 H new ATOM 0 HG LEU A 44 -3.055 2.134 -4.015 1.00 10.51 H new ATOM 0 HD11 LEU A 44 -3.370 2.488 -1.599 1.00 34.11 H new ATOM 0 HD12 LEU A 44 -1.670 2.152 -2.002 1.00 34.11 H new ATOM 0 HD13 LEU A 44 -2.187 3.817 -1.644 1.00 34.11 H new ATOM 0 HD21 LEU A 44 -4.832 3.641 -3.215 1.00 13.22 H new ATOM 0 HD22 LEU A 44 -3.709 5.017 -3.326 1.00 13.22 H new ATOM 0 HD23 LEU A 44 -4.200 4.148 -4.799 1.00 13.22 H new ATOM 644 N SER A 45 -2.715 6.309 -5.773 1.00 21.50 N ATOM 645 CA SER A 45 -2.690 7.764 -5.867 1.00 53.02 C ATOM 646 C SER A 45 -3.392 8.399 -4.670 1.00 42.33 C ATOM 647 O SER A 45 -4.125 7.743 -3.929 1.00 21.42 O ATOM 648 CB SER A 45 -3.357 8.224 -7.165 1.00 52.32 C ATOM 649 OG SER A 45 -4.614 8.827 -6.908 1.00 11.15 O ATOM 0 H SER A 45 -3.644 5.911 -5.633 1.00 21.50 H new ATOM 0 HA SER A 45 -1.648 8.085 -5.868 1.00 53.02 H new ATOM 0 HB2 SER A 45 -2.708 8.933 -7.679 1.00 52.32 H new ATOM 0 HB3 SER A 45 -3.489 7.372 -7.832 1.00 52.32 H new ATOM 0 HG SER A 45 -5.018 9.113 -7.753 1.00 11.15 H new ATOM 772 N ALA A 56 -9.267 1.216 -2.936 1.00 33.33 N ATOM 773 CA ALA A 56 -8.729 1.747 -1.691 1.00 13.35 C ATOM 774 C ALA A 56 -8.629 3.268 -1.738 1.00 23.02 C ATOM 775 O ALA A 56 -8.816 3.878 -2.791 1.00 60.41 O ATOM 776 CB ALA A 56 -7.364 1.136 -1.402 1.00 22.10 C ATOM 0 HA ALA A 56 -9.414 1.479 -0.886 1.00 13.35 H new ATOM 0 HB1 ALA A 56 -6.974 1.542 -0.469 1.00 22.10 H new ATOM 0 HB2 ALA A 56 -7.461 0.054 -1.315 1.00 22.10 H new ATOM 0 HB3 ALA A 56 -6.679 1.374 -2.216 1.00 22.10 H new ATOM 782 N ARG A 57 -8.333 3.874 -0.592 1.00 3.52 N ATOM 783 CA ARG A 57 -8.212 5.324 -0.504 1.00 3.31 C ATOM 784 C ARG A 57 -6.890 5.719 0.146 1.00 52.31 C ATOM 785 O ARG A 57 -6.262 4.917 0.840 1.00 74.12 O ATOM 786 CB ARG A 57 -9.380 5.907 0.293 1.00 52.14 C ATOM 787 CG ARG A 57 -10.736 5.364 -0.126 1.00 52.40 C ATOM 788 CD ARG A 57 -11.108 5.819 -1.528 1.00 73.24 C ATOM 789 NE ARG A 57 -11.081 7.274 -1.657 1.00 11.54 N ATOM 790 CZ ARG A 57 -11.971 8.079 -1.091 1.00 63.10 C ATOM 791 NH1 ARG A 57 -12.956 7.574 -0.359 1.00 54.34 N ATOM 792 NH2 ARG A 57 -11.878 9.393 -1.254 1.00 22.23 N ATOM 0 H ARG A 57 -8.173 3.383 0.288 1.00 3.52 H new ATOM 0 HA ARG A 57 -8.235 5.729 -1.516 1.00 3.31 H new ATOM 0 HB2 ARG A 57 -9.226 5.698 1.352 1.00 52.14 H new ATOM 0 HB3 ARG A 57 -9.381 6.991 0.179 1.00 52.14 H new ATOM 0 HG2 ARG A 57 -10.721 4.275 -0.088 1.00 52.40 H new ATOM 0 HG3 ARG A 57 -11.497 5.697 0.580 1.00 52.40 H new ATOM 0 HD2 ARG A 57 -10.417 5.379 -2.247 1.00 73.24 H new ATOM 0 HD3 ARG A 57 -12.104 5.452 -1.776 1.00 73.24 H new ATOM 0 HE ARG A 57 -10.336 7.694 -2.213 1.00 11.54 H new ATOM 0 HH11 ARG A 57 -13.030 6.565 -0.230 1.00 54.34 H new ATOM 0 HH12 ARG A 57 -13.639 8.195 0.075 1.00 54.34 H new ATOM 0 HH21 ARG A 57 -11.122 9.785 -1.815 1.00 22.23 H new ATOM 0 HH22 ARG A 57 -12.563 10.011 -0.818 1.00 22.23 H new ATOM 803 N VAL A 58 -6.472 6.960 -0.083 1.00 32.34 N ATOM 804 CA VAL A 58 -5.224 7.463 0.481 1.00 64.51 C ATOM 805 C VAL A 58 -5.488 8.563 1.504 1.00 33.13 C ATOM 806 O VAL A 58 -6.250 9.496 1.247 1.00 61.11 O ATOM 807 CB VAL A 58 -4.293 8.010 -0.615 1.00 55.32 C ATOM 808 CG1 VAL A 58 -3.347 9.054 -0.042 1.00 11.12 C ATOM 809 CG2 VAL A 58 -3.515 6.876 -1.269 1.00 20.23 C ATOM 0 H VAL A 58 -6.979 7.636 -0.655 1.00 32.34 H new ATOM 0 HA VAL A 58 -4.737 6.621 0.973 1.00 64.51 H new ATOM 0 HB VAL A 58 -4.905 8.489 -1.379 1.00 55.32 H new ATOM 0 HG11 VAL A 58 -2.697 9.429 -0.833 1.00 11.12 H new ATOM 0 HG12 VAL A 58 -3.925 9.879 0.374 1.00 11.12 H new ATOM 0 HG13 VAL A 58 -2.740 8.603 0.744 1.00 11.12 H new ATOM 0 HG21 VAL A 58 -2.862 7.281 -2.042 1.00 20.23 H new ATOM 0 HG22 VAL A 58 -2.914 6.366 -0.516 1.00 20.23 H new ATOM 0 HG23 VAL A 58 -4.212 6.168 -1.718 1.00 20.23 H new ATOM 819 N LEU A 59 -4.852 8.448 2.665 1.00 41.44 N ATOM 820 CA LEU A 59 -5.016 9.434 3.727 1.00 13.41 C ATOM 821 C LEU A 59 -4.399 10.771 3.330 1.00 22.24 C ATOM 822 O LEU A 59 -3.525 10.848 2.467 1.00 15.34 O ATOM 823 CB LEU A 59 -4.375 8.929 5.021 1.00 32.25 C ATOM 824 CG LEU A 59 -5.168 7.876 5.797 1.00 61.23 C ATOM 825 CD1 LEU A 59 -4.281 7.188 6.823 1.00 51.22 C ATOM 826 CD2 LEU A 59 -6.376 8.508 6.472 1.00 12.30 C ATOM 0 H LEU A 59 -4.218 7.682 2.894 1.00 41.44 H new ATOM 0 HA LEU A 59 -6.084 9.582 3.890 1.00 13.41 H new ATOM 0 HB2 LEU A 59 -3.397 8.513 4.780 1.00 32.25 H new ATOM 0 HB3 LEU A 59 -4.206 9.783 5.676 1.00 32.25 H new ATOM 0 HG LEU A 59 -5.523 7.124 5.092 1.00 61.23 H new ATOM 0 HD11 LEU A 59 -4.863 6.442 7.365 1.00 51.22 H new ATOM 0 HD12 LEU A 59 -3.449 6.700 6.316 1.00 51.22 H new ATOM 0 HD13 LEU A 59 -3.895 7.928 7.525 1.00 51.22 H new ATOM 0 HD21 LEU A 59 -6.928 7.744 7.019 1.00 12.30 H new ATOM 0 HD22 LEU A 59 -6.043 9.281 7.165 1.00 12.30 H new ATOM 0 HD23 LEU A 59 -7.024 8.953 5.716 1.00 12.30 H new ATOM 837 N PRO A 60 -4.865 11.852 3.974 1.00 13.31 N ATOM 838 CA PRO A 60 -4.372 13.207 3.707 1.00 42.20 C ATOM 839 C PRO A 60 -2.941 13.410 4.195 1.00 15.14 C ATOM 840 O PRO A 60 -2.228 14.286 3.708 1.00 35.15 O ATOM 841 CB PRO A 60 -5.336 14.096 4.493 1.00 20.23 C ATOM 842 CG PRO A 60 -5.853 13.226 5.585 1.00 5.43 C ATOM 843 CD PRO A 60 -5.907 11.835 5.014 1.00 54.33 C ATOM 0 HA PRO A 60 -4.342 13.427 2.640 1.00 42.20 H new ATOM 0 HB2 PRO A 60 -4.828 14.973 4.893 1.00 20.23 H new ATOM 0 HB3 PRO A 60 -6.146 14.458 3.859 1.00 20.23 H new ATOM 0 HG2 PRO A 60 -5.201 13.265 6.457 1.00 5.43 H new ATOM 0 HG3 PRO A 60 -6.840 13.553 5.911 1.00 5.43 H new ATOM 0 HD2 PRO A 60 -5.704 11.081 5.774 1.00 54.33 H new ATOM 0 HD3 PRO A 60 -6.888 11.610 4.596 1.00 54.33 H new ATOM 848 N ASN A 61 -2.529 12.593 5.159 1.00 32.33 N ATOM 849 CA ASN A 61 -1.183 12.684 5.713 1.00 12.52 C ATOM 850 C ASN A 61 -0.182 11.933 4.840 1.00 64.42 C ATOM 851 O ASN A 61 1.006 11.870 5.152 1.00 71.43 O ATOM 852 CB ASN A 61 -1.156 12.124 7.137 1.00 42.41 C ATOM 853 CG ASN A 61 -1.716 10.715 7.215 1.00 32.42 C ATOM 854 OD1 ASN A 61 -1.018 9.741 6.931 1.00 20.42 O ATOM 855 ND2 ASN A 61 -2.982 10.604 7.599 1.00 54.21 N ATOM 0 H ASN A 61 -3.107 11.861 5.572 1.00 32.33 H new ATOM 0 HA ASN A 61 -0.898 13.736 5.738 1.00 12.52 H new ATOM 0 HB2 ASN A 61 -0.130 12.125 7.506 1.00 42.41 H new ATOM 0 HB3 ASN A 61 -1.731 12.778 7.793 1.00 42.41 H new ATOM 0 HD21 ASN A 61 -3.415 9.683 7.669 1.00 54.21 H new ATOM 0 HD22 ASN A 61 -3.522 11.440 7.824 1.00 54.21 H new ATOM 861 N GLY A 62 -0.673 11.363 3.744 1.00 63.44 N ATOM 862 CA GLY A 62 0.190 10.624 2.841 1.00 65.24 C ATOM 863 C GLY A 62 0.222 9.141 3.154 1.00 13.10 C ATOM 864 O GLY A 62 1.196 8.455 2.843 1.00 24.31 O ATOM 0 H GLY A 62 -1.653 11.400 3.465 1.00 63.44 H new ATOM 0 HA2 GLY A 62 -0.152 10.769 1.816 1.00 65.24 H new ATOM 0 HA3 GLY A 62 1.201 11.026 2.899 1.00 65.24 H new ATOM 868 N SER A 63 -0.845 8.645 3.774 1.00 33.01 N ATOM 869 CA SER A 63 -0.931 7.235 4.134 1.00 73.23 C ATOM 870 C SER A 63 -1.908 6.500 3.221 1.00 23.15 C ATOM 871 O SER A 63 -2.492 7.091 2.312 1.00 54.20 O ATOM 872 CB SER A 63 -1.369 7.086 5.593 1.00 43.11 C ATOM 873 OG SER A 63 -0.248 6.971 6.453 1.00 65.02 O ATOM 0 H SER A 63 -1.660 9.198 4.037 1.00 33.01 H new ATOM 0 HA SER A 63 0.058 6.793 4.011 1.00 73.23 H new ATOM 0 HB2 SER A 63 -1.969 7.948 5.886 1.00 43.11 H new ATOM 0 HB3 SER A 63 -2.003 6.206 5.697 1.00 43.11 H new ATOM 0 HG SER A 63 -0.098 7.824 6.911 1.00 65.02 H new ATOM 878 N LEU A 64 -2.081 5.206 3.470 1.00 64.43 N ATOM 879 CA LEU A 64 -2.987 4.389 2.670 1.00 2.25 C ATOM 880 C LEU A 64 -3.948 3.611 3.563 1.00 10.31 C ATOM 881 O LEU A 64 -3.528 2.927 4.497 1.00 43.43 O ATOM 882 CB LEU A 64 -2.192 3.422 1.792 1.00 0.14 C ATOM 883 CG LEU A 64 -2.914 2.136 1.385 1.00 34.32 C ATOM 884 CD1 LEU A 64 -4.161 2.458 0.578 1.00 25.42 C ATOM 885 CD2 LEU A 64 -1.983 1.230 0.593 1.00 55.05 C ATOM 0 H LEU A 64 -1.606 4.701 4.218 1.00 64.43 H new ATOM 0 HA LEU A 64 -3.570 5.053 2.032 1.00 2.25 H new ATOM 0 HB2 LEU A 64 -1.892 3.949 0.886 1.00 0.14 H new ATOM 0 HB3 LEU A 64 -1.278 3.150 2.321 1.00 0.14 H new ATOM 0 HG LEU A 64 -3.217 1.610 2.290 1.00 34.32 H new ATOM 0 HD11 LEU A 64 -4.662 1.532 0.297 1.00 25.42 H new ATOM 0 HD12 LEU A 64 -4.836 3.068 1.179 1.00 25.42 H new ATOM 0 HD13 LEU A 64 -3.881 3.006 -0.322 1.00 25.42 H new ATOM 0 HD21 LEU A 64 -2.513 0.320 0.312 1.00 55.05 H new ATOM 0 HD22 LEU A 64 -1.649 1.748 -0.306 1.00 55.05 H new ATOM 0 HD23 LEU A 64 -1.119 0.972 1.205 1.00 55.05 H new ATOM 896 N PHE A 65 -5.239 3.718 3.269 1.00 63.00 N ATOM 897 CA PHE A 65 -6.261 3.022 4.044 1.00 2.50 C ATOM 898 C PHE A 65 -7.154 2.182 3.135 1.00 11.53 C ATOM 899 O PHE A 65 -7.654 2.663 2.119 1.00 3.25 O ATOM 900 CB PHE A 65 -7.111 4.028 4.824 1.00 2.43 C ATOM 901 CG PHE A 65 -8.334 3.419 5.450 1.00 74.05 C ATOM 902 CD1 PHE A 65 -8.257 2.207 6.118 1.00 71.52 C ATOM 903 CD2 PHE A 65 -9.559 4.061 5.372 1.00 43.23 C ATOM 904 CE1 PHE A 65 -9.381 1.646 6.694 1.00 71.10 C ATOM 905 CE2 PHE A 65 -10.687 3.504 5.945 1.00 32.03 C ATOM 906 CZ PHE A 65 -10.597 2.296 6.609 1.00 44.31 C ATOM 0 H PHE A 65 -5.603 4.280 2.500 1.00 63.00 H new ATOM 0 HA PHE A 65 -5.760 2.357 4.747 1.00 2.50 H new ATOM 0 HB2 PHE A 65 -6.500 4.481 5.605 1.00 2.43 H new ATOM 0 HB3 PHE A 65 -7.417 4.831 4.153 1.00 2.43 H new ATOM 0 HD1 PHE A 65 -7.308 1.696 6.189 1.00 71.52 H new ATOM 0 HD2 PHE A 65 -9.634 5.008 4.858 1.00 43.23 H new ATOM 0 HE1 PHE A 65 -9.309 0.700 7.210 1.00 71.10 H new ATOM 0 HE2 PHE A 65 -11.637 4.012 5.874 1.00 32.03 H new ATOM 0 HZ PHE A 65 -11.476 1.860 7.061 1.00 44.31 H new ATOM 915 N LEU A 66 -7.348 0.921 3.510 1.00 34.05 N ATOM 916 CA LEU A 66 -8.180 0.011 2.731 1.00 52.40 C ATOM 917 C LEU A 66 -9.373 -0.472 3.549 1.00 12.12 C ATOM 918 O LEU A 66 -9.236 -0.915 4.690 1.00 12.51 O ATOM 919 CB LEU A 66 -7.354 -1.186 2.256 1.00 24.04 C ATOM 920 CG LEU A 66 -6.175 -0.866 1.336 1.00 31.30 C ATOM 921 CD1 LEU A 66 -4.862 -0.969 2.096 1.00 72.32 C ATOM 922 CD2 LEU A 66 -6.170 -1.795 0.132 1.00 44.51 C ATOM 0 H LEU A 66 -6.940 0.507 4.348 1.00 34.05 H new ATOM 0 HA LEU A 66 -8.555 0.554 1.863 1.00 52.40 H new ATOM 0 HB2 LEU A 66 -6.973 -1.710 3.133 1.00 24.04 H new ATOM 0 HB3 LEU A 66 -8.018 -1.876 1.736 1.00 24.04 H new ATOM 0 HG LEU A 66 -6.286 0.158 0.979 1.00 31.30 H new ATOM 0 HD11 LEU A 66 -4.034 -0.738 1.425 1.00 72.32 H new ATOM 0 HD12 LEU A 66 -4.865 -0.262 2.925 1.00 72.32 H new ATOM 0 HD13 LEU A 66 -4.744 -1.981 2.483 1.00 72.32 H new ATOM 0 HD21 LEU A 66 -5.324 -1.552 -0.511 1.00 44.51 H new ATOM 0 HD22 LEU A 66 -6.085 -2.828 0.470 1.00 44.51 H new ATOM 0 HD23 LEU A 66 -7.098 -1.672 -0.427 1.00 44.51 H new ATOM 933 N PRO A 67 -10.572 -0.389 2.954 1.00 43.11 N ATOM 934 CA PRO A 67 -11.812 -0.816 3.608 1.00 64.04 C ATOM 935 C PRO A 67 -11.889 -2.330 3.772 1.00 61.52 C ATOM 936 O PRO A 67 -12.431 -2.829 4.758 1.00 15.34 O ATOM 937 CB PRO A 67 -12.903 -0.325 2.655 1.00 64.21 C ATOM 938 CG PRO A 67 -12.238 -0.251 1.324 1.00 43.45 C ATOM 939 CD PRO A 67 -10.809 0.128 1.596 1.00 41.32 C ATOM 0 HA PRO A 67 -11.899 -0.416 4.618 1.00 64.04 H new ATOM 0 HB2 PRO A 67 -13.750 -1.010 2.637 1.00 64.21 H new ATOM 0 HB3 PRO A 67 -13.287 0.648 2.960 1.00 64.21 H new ATOM 0 HG2 PRO A 67 -12.296 -1.208 0.805 1.00 43.45 H new ATOM 0 HG3 PRO A 67 -12.723 0.488 0.686 1.00 43.45 H new ATOM 0 HD2 PRO A 67 -10.129 -0.320 0.871 1.00 41.32 H new ATOM 0 HD3 PRO A 67 -10.663 1.207 1.545 1.00 41.32 H new ATOM 944 N ALA A 68 -11.346 -3.054 2.800 1.00 14.53 N ATOM 945 CA ALA A 68 -11.352 -4.512 2.839 1.00 50.45 C ATOM 946 C ALA A 68 -10.345 -5.091 1.849 1.00 20.34 C ATOM 947 O ALA A 68 -10.589 -5.114 0.643 1.00 63.42 O ATOM 948 CB ALA A 68 -12.747 -5.042 2.547 1.00 62.22 C ATOM 0 H ALA A 68 -10.896 -2.656 1.976 1.00 14.53 H new ATOM 0 HA ALA A 68 -11.059 -4.826 3.841 1.00 50.45 H new ATOM 0 HB1 ALA A 68 -12.736 -6.131 2.579 1.00 62.22 H new ATOM 0 HB2 ALA A 68 -13.444 -4.663 3.295 1.00 62.22 H new ATOM 0 HB3 ALA A 68 -13.062 -4.712 1.557 1.00 62.22 H new ATOM 954 N VAL A 69 -9.214 -5.558 2.368 1.00 44.20 N ATOM 955 CA VAL A 69 -8.171 -6.138 1.530 1.00 2.24 C ATOM 956 C VAL A 69 -8.574 -7.521 1.030 1.00 34.14 C ATOM 957 O VAL A 69 -8.797 -8.438 1.818 1.00 23.23 O ATOM 958 CB VAL A 69 -6.837 -6.249 2.292 1.00 73.30 C ATOM 959 CG1 VAL A 69 -6.245 -4.869 2.536 1.00 75.55 C ATOM 960 CG2 VAL A 69 -7.033 -6.993 3.604 1.00 32.44 C ATOM 0 H VAL A 69 -8.997 -5.546 3.364 1.00 44.20 H new ATOM 0 HA VAL A 69 -8.041 -5.470 0.678 1.00 2.24 H new ATOM 0 HB VAL A 69 -6.136 -6.816 1.680 1.00 73.30 H new ATOM 0 HG11 VAL A 69 -5.303 -4.967 3.075 1.00 75.55 H new ATOM 0 HG12 VAL A 69 -6.066 -4.376 1.581 1.00 75.55 H new ATOM 0 HG13 VAL A 69 -6.941 -4.274 3.127 1.00 75.55 H new ATOM 0 HG21 VAL A 69 -6.080 -7.062 4.129 1.00 32.44 H new ATOM 0 HG22 VAL A 69 -7.751 -6.455 4.224 1.00 32.44 H new ATOM 0 HG23 VAL A 69 -7.409 -7.996 3.401 1.00 32.44 H new ATOM 970 N GLY A 70 -8.665 -7.664 -0.289 1.00 54.11 N ATOM 971 CA GLY A 70 -9.040 -8.938 -0.873 1.00 63.41 C ATOM 972 C GLY A 70 -7.845 -9.836 -1.123 1.00 71.20 C ATOM 973 O GLY A 70 -6.705 -9.369 -1.153 1.00 15.10 O ATOM 0 H GLY A 70 -8.486 -6.920 -0.963 1.00 54.11 H new ATOM 0 HA2 GLY A 70 -9.740 -9.446 -0.210 1.00 63.41 H new ATOM 0 HA3 GLY A 70 -9.562 -8.763 -1.814 1.00 63.41 H new ATOM 977 N ILE A 71 -8.103 -11.127 -1.300 1.00 31.53 N ATOM 978 CA ILE A 71 -7.039 -12.092 -1.549 1.00 23.45 C ATOM 979 C ILE A 71 -6.199 -11.686 -2.753 1.00 61.40 C ATOM 980 O ILE A 71 -5.009 -11.995 -2.824 1.00 24.25 O ATOM 981 CB ILE A 71 -7.605 -13.505 -1.783 1.00 3.10 C ATOM 982 CG1 ILE A 71 -6.653 -14.560 -1.215 1.00 12.24 C ATOM 983 CG2 ILE A 71 -7.840 -13.740 -3.267 1.00 43.11 C ATOM 984 CD1 ILE A 71 -6.523 -15.788 -2.087 1.00 42.15 C ATOM 0 H ILE A 71 -9.040 -11.529 -1.276 1.00 31.53 H new ATOM 0 HA ILE A 71 -6.410 -12.105 -0.659 1.00 23.45 H new ATOM 0 HB ILE A 71 -8.560 -13.589 -1.265 1.00 3.10 H new ATOM 0 HG12 ILE A 71 -5.668 -14.114 -1.081 1.00 12.24 H new ATOM 0 HG13 ILE A 71 -7.004 -14.861 -0.228 1.00 12.24 H new ATOM 0 HG21 ILE A 71 -8.240 -14.743 -3.418 1.00 43.11 H new ATOM 0 HG22 ILE A 71 -8.551 -13.005 -3.644 1.00 43.11 H new ATOM 0 HG23 ILE A 71 -6.897 -13.641 -3.805 1.00 43.11 H new ATOM 0 HD11 ILE A 71 -5.833 -16.493 -1.623 1.00 42.15 H new ATOM 0 HD12 ILE A 71 -7.500 -16.258 -2.201 1.00 42.15 H new ATOM 0 HD13 ILE A 71 -6.142 -15.500 -3.067 1.00 42.15 H new ATOM 995 N GLN A 72 -6.824 -10.989 -3.697 1.00 42.10 N ATOM 996 CA GLN A 72 -6.132 -10.540 -4.900 1.00 11.44 C ATOM 997 C GLN A 72 -5.202 -9.372 -4.587 1.00 51.51 C ATOM 998 O GLN A 72 -4.247 -9.115 -5.320 1.00 34.54 O ATOM 999 CB GLN A 72 -7.143 -10.129 -5.972 1.00 13.43 C ATOM 1000 CG GLN A 72 -7.753 -11.307 -6.715 1.00 12.14 C ATOM 1001 CD GLN A 72 -8.924 -10.901 -7.589 1.00 12.44 C ATOM 1002 OE1 GLN A 72 -10.032 -11.415 -7.437 1.00 61.22 O ATOM 1003 NE2 GLN A 72 -8.683 -9.976 -8.509 1.00 21.33 N ATOM 0 H GLN A 72 -7.808 -10.723 -3.652 1.00 42.10 H new ATOM 0 HA GLN A 72 -5.532 -11.369 -5.276 1.00 11.44 H new ATOM 0 HB2 GLN A 72 -7.941 -9.552 -5.505 1.00 13.43 H new ATOM 0 HB3 GLN A 72 -6.652 -9.472 -6.690 1.00 13.43 H new ATOM 0 HG2 GLN A 72 -6.988 -11.777 -7.333 1.00 12.14 H new ATOM 0 HG3 GLN A 72 -8.084 -12.055 -5.994 1.00 12.14 H new ATOM 0 HE21 GLN A 72 -7.748 -9.577 -8.599 1.00 21.33 H new ATOM 0 HE22 GLN A 72 -9.432 -9.663 -9.126 1.00 21.33 H new ATOM 1010 N ASP A 73 -5.487 -8.671 -3.495 1.00 63.24 N ATOM 1011 CA ASP A 73 -4.675 -7.531 -3.086 1.00 15.25 C ATOM 1012 C ASP A 73 -3.424 -7.992 -2.346 1.00 52.41 C ATOM 1013 O ASP A 73 -2.563 -7.184 -1.996 1.00 65.31 O ATOM 1014 CB ASP A 73 -5.490 -6.590 -2.197 1.00 11.24 C ATOM 1015 CG ASP A 73 -6.001 -5.379 -2.949 1.00 14.01 C ATOM 1016 OD1 ASP A 73 -6.330 -5.519 -4.145 1.00 4.32 O ATOM 1017 OD2 ASP A 73 -6.069 -4.288 -2.343 1.00 53.32 O ATOM 0 H ASP A 73 -6.274 -8.872 -2.878 1.00 63.24 H new ATOM 0 HA ASP A 73 -4.367 -6.995 -3.984 1.00 15.25 H new ATOM 0 HB2 ASP A 73 -6.335 -7.135 -1.775 1.00 11.24 H new ATOM 0 HB3 ASP A 73 -4.873 -6.261 -1.361 1.00 11.24 H new ATOM 1021 N GLU A 74 -3.328 -9.298 -2.112 1.00 11.31 N ATOM 1022 CA GLU A 74 -2.181 -9.866 -1.413 1.00 22.13 C ATOM 1023 C GLU A 74 -0.897 -9.652 -2.208 1.00 31.31 C ATOM 1024 O GLU A 74 -0.887 -9.764 -3.434 1.00 31.33 O ATOM 1025 CB GLU A 74 -2.396 -11.361 -1.165 1.00 61.24 C ATOM 1026 CG GLU A 74 -2.167 -12.221 -2.396 1.00 41.30 C ATOM 1027 CD GLU A 74 -2.352 -13.701 -2.117 1.00 54.33 C ATOM 1028 OE1 GLU A 74 -1.564 -14.256 -1.322 1.00 72.23 O ATOM 1029 OE2 GLU A 74 -3.281 -14.302 -2.692 1.00 24.32 O ATOM 0 H GLU A 74 -4.030 -9.981 -2.396 1.00 11.31 H new ATOM 0 HA GLU A 74 -2.084 -9.355 -0.455 1.00 22.13 H new ATOM 0 HB2 GLU A 74 -1.724 -11.690 -0.372 1.00 61.24 H new ATOM 0 HB3 GLU A 74 -3.413 -11.519 -0.806 1.00 61.24 H new ATOM 0 HG2 GLU A 74 -2.857 -11.914 -3.182 1.00 41.30 H new ATOM 0 HG3 GLU A 74 -1.158 -12.049 -2.772 1.00 41.30 H new ATOM 1034 N GLY A 75 0.185 -9.341 -1.501 1.00 41.43 N ATOM 1035 CA GLY A 75 1.460 -9.114 -2.158 1.00 24.25 C ATOM 1036 C GLY A 75 2.376 -8.216 -1.350 1.00 43.22 C ATOM 1037 O GLY A 75 2.448 -8.331 -0.127 1.00 32.52 O ATOM 0 H GLY A 75 0.202 -9.242 -0.486 1.00 41.43 H new ATOM 0 HA2 GLY A 75 1.953 -10.071 -2.329 1.00 24.25 H new ATOM 0 HA3 GLY A 75 1.287 -8.665 -3.136 1.00 24.25 H new ATOM 1041 N ILE A 76 3.077 -7.320 -2.035 1.00 1.10 N ATOM 1042 CA ILE A 76 3.993 -6.399 -1.374 1.00 31.23 C ATOM 1043 C ILE A 76 3.693 -4.954 -1.757 1.00 52.43 C ATOM 1044 O ILE A 76 3.560 -4.628 -2.937 1.00 40.20 O ATOM 1045 CB ILE A 76 5.460 -6.717 -1.722 1.00 73.34 C ATOM 1046 CG1 ILE A 76 5.856 -8.083 -1.160 1.00 25.12 C ATOM 1047 CG2 ILE A 76 6.379 -5.630 -1.186 1.00 3.05 C ATOM 1048 CD1 ILE A 76 5.369 -9.245 -1.996 1.00 24.23 C ATOM 0 H ILE A 76 3.028 -7.212 -3.048 1.00 1.10 H new ATOM 0 HA ILE A 76 3.847 -6.525 -0.301 1.00 31.23 H new ATOM 0 HB ILE A 76 5.562 -6.749 -2.807 1.00 73.34 H new ATOM 0 HG12 ILE A 76 6.942 -8.133 -1.081 1.00 25.12 H new ATOM 0 HG13 ILE A 76 5.458 -8.181 -0.150 1.00 25.12 H new ATOM 0 HG21 ILE A 76 7.412 -5.869 -1.440 1.00 3.05 H new ATOM 0 HG22 ILE A 76 6.108 -4.673 -1.631 1.00 3.05 H new ATOM 0 HG23 ILE A 76 6.277 -5.569 -0.103 1.00 3.05 H new ATOM 0 HD11 ILE A 76 5.686 -10.181 -1.537 1.00 24.23 H new ATOM 0 HD12 ILE A 76 4.281 -9.220 -2.055 1.00 24.23 H new ATOM 0 HD13 ILE A 76 5.788 -9.172 -3.000 1.00 24.23 H new ATOM 1059 N PHE A 77 3.588 -4.090 -0.753 1.00 13.34 N ATOM 1060 CA PHE A 77 3.305 -2.679 -0.984 1.00 21.11 C ATOM 1061 C PHE A 77 4.564 -1.837 -0.815 1.00 34.50 C ATOM 1062 O PHE A 77 5.265 -1.941 0.194 1.00 64.14 O ATOM 1063 CB PHE A 77 2.219 -2.192 -0.023 1.00 63.30 C ATOM 1064 CG PHE A 77 0.824 -2.509 -0.483 1.00 74.24 C ATOM 1065 CD1 PHE A 77 0.531 -3.738 -1.053 1.00 62.22 C ATOM 1066 CD2 PHE A 77 -0.194 -1.577 -0.348 1.00 54.54 C ATOM 1067 CE1 PHE A 77 -0.751 -4.033 -1.477 1.00 33.43 C ATOM 1068 CE2 PHE A 77 -1.477 -1.867 -0.771 1.00 3.34 C ATOM 1069 CZ PHE A 77 -1.756 -3.096 -1.336 1.00 73.04 C ATOM 0 H PHE A 77 3.695 -4.343 0.229 1.00 13.34 H new ATOM 0 HA PHE A 77 2.951 -2.568 -2.009 1.00 21.11 H new ATOM 0 HB2 PHE A 77 2.382 -2.644 0.955 1.00 63.30 H new ATOM 0 HB3 PHE A 77 2.315 -1.114 0.104 1.00 63.30 H new ATOM 0 HD1 PHE A 77 1.313 -4.474 -1.167 1.00 62.22 H new ATOM 0 HD2 PHE A 77 0.018 -0.614 0.093 1.00 54.54 H new ATOM 0 HE1 PHE A 77 -0.967 -4.995 -1.918 1.00 33.43 H new ATOM 0 HE2 PHE A 77 -2.261 -1.133 -0.660 1.00 3.34 H new ATOM 0 HZ PHE A 77 -2.758 -3.324 -1.667 1.00 73.04 H new ATOM 1078 N ARG A 78 4.849 -1.001 -1.810 1.00 23.24 N ATOM 1079 CA ARG A 78 6.025 -0.141 -1.772 1.00 70.21 C ATOM 1080 C ARG A 78 5.641 1.317 -2.005 1.00 20.10 C ATOM 1081 O ARG A 78 4.987 1.648 -2.996 1.00 4.21 O ATOM 1082 CB ARG A 78 7.042 -0.585 -2.826 1.00 61.11 C ATOM 1083 CG ARG A 78 8.479 -0.557 -2.334 1.00 1.53 C ATOM 1084 CD ARG A 78 9.461 -0.421 -3.488 1.00 4.41 C ATOM 1085 NE ARG A 78 9.184 0.759 -4.305 1.00 5.35 N ATOM 1086 CZ ARG A 78 9.660 1.967 -4.034 1.00 31.50 C ATOM 1087 NH1 ARG A 78 10.434 2.157 -2.975 1.00 73.34 N ATOM 1088 NH2 ARG A 78 9.363 2.992 -4.825 1.00 12.42 N ATOM 0 H ARG A 78 4.281 -0.902 -2.651 1.00 23.24 H new ATOM 0 HA ARG A 78 6.474 -0.227 -0.783 1.00 70.21 H new ATOM 0 HB2 ARG A 78 6.798 -1.596 -3.151 1.00 61.11 H new ATOM 0 HB3 ARG A 78 6.953 0.061 -3.699 1.00 61.11 H new ATOM 0 HG2 ARG A 78 8.612 0.275 -1.642 1.00 1.53 H new ATOM 0 HG3 ARG A 78 8.692 -1.470 -1.779 1.00 1.53 H new ATOM 0 HD2 ARG A 78 10.476 -0.360 -3.095 1.00 4.41 H new ATOM 0 HD3 ARG A 78 9.413 -1.314 -4.112 1.00 4.41 H new ATOM 0 HE ARG A 78 8.592 0.647 -5.128 1.00 5.35 H new ATOM 0 HH11 ARG A 78 10.665 1.373 -2.365 1.00 73.34 H new ATOM 0 HH12 ARG A 78 10.798 3.087 -2.770 1.00 73.34 H new ATOM 0 HH21 ARG A 78 8.768 2.850 -5.642 1.00 12.42 H new ATOM 0 HH22 ARG A 78 9.730 3.921 -4.616 1.00 12.42 H new ATOM 1099 N CYS A 79 6.050 2.186 -1.086 1.00 52.24 N ATOM 1100 CA CYS A 79 5.748 3.608 -1.190 1.00 3.35 C ATOM 1101 C CYS A 79 7.014 4.415 -1.461 1.00 15.51 C ATOM 1102 O CYS A 79 8.117 3.991 -1.117 1.00 30.04 O ATOM 1103 CB CYS A 79 5.079 4.105 0.094 1.00 5.22 C ATOM 1104 SG CYS A 79 6.071 5.311 1.031 1.00 30.23 S ATOM 0 H CYS A 79 6.592 1.929 -0.261 1.00 52.24 H new ATOM 0 HA CYS A 79 5.063 3.747 -2.026 1.00 3.35 H new ATOM 0 HB2 CYS A 79 4.121 4.558 -0.160 1.00 5.22 H new ATOM 0 HB3 CYS A 79 4.867 3.249 0.735 1.00 5.22 H new ATOM 1108 N GLN A 80 6.846 5.580 -2.080 1.00 3.21 N ATOM 1109 CA GLN A 80 7.975 6.444 -2.397 1.00 75.34 C ATOM 1110 C GLN A 80 7.619 7.910 -2.173 1.00 53.11 C ATOM 1111 O GLN A 80 6.546 8.366 -2.568 1.00 10.12 O ATOM 1112 CB GLN A 80 8.418 6.231 -3.847 1.00 44.21 C ATOM 1113 CG GLN A 80 7.533 6.939 -4.862 1.00 12.41 C ATOM 1114 CD GLN A 80 7.868 6.558 -6.291 1.00 61.21 C ATOM 1115 OE1 GLN A 80 8.110 5.390 -6.594 1.00 52.10 O ATOM 1116 NE2 GLN A 80 7.880 7.546 -7.179 1.00 74.21 N ATOM 0 H GLN A 80 5.939 5.946 -2.371 1.00 3.21 H new ATOM 0 HA GLN A 80 8.797 6.182 -1.731 1.00 75.34 H new ATOM 0 HB2 GLN A 80 9.443 6.584 -3.961 1.00 44.21 H new ATOM 0 HB3 GLN A 80 8.423 5.163 -4.064 1.00 44.21 H new ATOM 0 HG2 GLN A 80 6.489 6.697 -4.660 1.00 12.41 H new ATOM 0 HG3 GLN A 80 7.639 8.017 -4.742 1.00 12.41 H new ATOM 0 HE21 GLN A 80 7.673 8.500 -6.883 1.00 74.21 H new ATOM 0 HE22 GLN A 80 8.096 7.351 -8.157 1.00 74.21 H new ATOM 1123 N ALA A 81 8.525 8.644 -1.535 1.00 60.13 N ATOM 1124 CA ALA A 81 8.306 10.059 -1.259 1.00 0.01 C ATOM 1125 C ALA A 81 9.532 10.886 -1.629 1.00 71.11 C ATOM 1126 O ALA A 81 10.626 10.350 -1.802 1.00 43.13 O ATOM 1127 CB ALA A 81 7.953 10.262 0.207 1.00 10.44 C ATOM 0 H ALA A 81 9.418 8.282 -1.200 1.00 60.13 H new ATOM 0 HA ALA A 81 7.472 10.399 -1.873 1.00 0.01 H new ATOM 0 HB1 ALA A 81 7.792 11.323 0.399 1.00 10.44 H new ATOM 0 HB2 ALA A 81 7.044 9.709 0.442 1.00 10.44 H new ATOM 0 HB3 ALA A 81 8.770 9.900 0.831 1.00 10.44 H new ATOM 1133 N MET A 82 9.341 12.196 -1.750 1.00 50.42 N ATOM 1134 CA MET A 82 10.433 13.097 -2.100 1.00 71.12 C ATOM 1135 C MET A 82 10.493 14.278 -1.136 1.00 62.40 C ATOM 1136 O MET A 82 9.512 15.003 -0.967 1.00 23.02 O ATOM 1137 CB MET A 82 10.268 13.601 -3.535 1.00 31.33 C ATOM 1138 CG MET A 82 10.435 12.515 -4.584 1.00 40.12 C ATOM 1139 SD MET A 82 11.894 12.764 -5.615 1.00 4.53 S ATOM 1140 CE MET A 82 13.148 13.037 -4.366 1.00 61.42 C ATOM 0 H MET A 82 8.442 12.657 -1.611 1.00 50.42 H new ATOM 0 HA MET A 82 11.368 12.541 -2.024 1.00 71.12 H new ATOM 0 HB2 MET A 82 9.280 14.049 -3.642 1.00 31.33 H new ATOM 0 HB3 MET A 82 10.998 14.389 -3.721 1.00 31.33 H new ATOM 0 HG2 MET A 82 10.505 11.546 -4.090 1.00 40.12 H new ATOM 0 HG3 MET A 82 9.548 12.487 -5.217 1.00 40.12 H new ATOM 0 HE1 MET A 82 14.105 12.655 -4.721 1.00 61.42 H new ATOM 0 HE2 MET A 82 13.236 14.105 -4.166 1.00 61.42 H new ATOM 0 HE3 MET A 82 12.868 12.518 -3.449 1.00 61.42 H new ATOM 1148 N ASN A 83 11.648 14.467 -0.509 1.00 12.34 N ATOM 1149 CA ASN A 83 11.834 15.560 0.438 1.00 72.51 C ATOM 1150 C ASN A 83 12.301 16.826 -0.277 1.00 25.15 C ATOM 1151 O ASN A 83 12.617 16.797 -1.465 1.00 60.44 O ATOM 1152 CB ASN A 83 12.848 15.164 1.514 1.00 73.25 C ATOM 1153 CG ASN A 83 12.726 13.708 1.916 1.00 53.21 C ATOM 1154 OD1 ASN A 83 13.540 12.873 1.521 1.00 73.31 O ATOM 1155 ND2 ASN A 83 11.705 13.396 2.706 1.00 50.25 N ATOM 0 H ASN A 83 12.470 13.877 -0.639 1.00 12.34 H new ATOM 0 HA ASN A 83 10.874 15.765 0.912 1.00 72.51 H new ATOM 0 HB2 ASN A 83 13.856 15.353 1.146 1.00 73.25 H new ATOM 0 HB3 ASN A 83 12.706 15.794 2.392 1.00 73.25 H new ATOM 0 HD21 ASN A 83 11.571 12.431 3.010 1.00 50.25 H new ATOM 0 HD22 ASN A 83 11.055 14.121 3.009 1.00 50.25 H new ATOM 1161 N ARG A 84 12.340 17.933 0.458 1.00 3.35 N ATOM 1162 CA ARG A 84 12.767 19.208 -0.105 1.00 23.04 C ATOM 1163 C ARG A 84 14.271 19.211 -0.364 1.00 62.45 C ATOM 1164 O ARG A 84 14.776 20.029 -1.132 1.00 42.30 O ATOM 1165 CB ARG A 84 12.399 20.355 0.838 1.00 40.31 C ATOM 1166 CG ARG A 84 10.999 20.903 0.613 1.00 53.51 C ATOM 1167 CD ARG A 84 10.391 21.426 1.906 1.00 41.04 C ATOM 1168 NE ARG A 84 9.839 22.768 1.746 1.00 1.15 N ATOM 1169 CZ ARG A 84 10.583 23.851 1.553 1.00 61.12 C ATOM 1170 NH1 ARG A 84 11.904 23.750 1.495 1.00 24.43 N ATOM 1171 NH2 ARG A 84 10.006 25.039 1.418 1.00 5.31 N ATOM 0 H ARG A 84 12.081 17.972 1.444 1.00 3.35 H new ATOM 0 HA ARG A 84 12.251 19.348 -1.055 1.00 23.04 H new ATOM 0 HB2 ARG A 84 12.483 20.009 1.868 1.00 40.31 H new ATOM 0 HB3 ARG A 84 13.121 21.162 0.713 1.00 40.31 H new ATOM 0 HG2 ARG A 84 11.035 21.705 -0.124 1.00 53.51 H new ATOM 0 HG3 ARG A 84 10.362 20.120 0.201 1.00 53.51 H new ATOM 0 HD2 ARG A 84 9.605 20.748 2.238 1.00 41.04 H new ATOM 0 HD3 ARG A 84 11.152 21.437 2.686 1.00 41.04 H new ATOM 0 HE ARG A 84 8.826 22.880 1.785 1.00 1.15 H new ATOM 0 HH11 ARG A 84 12.351 22.839 1.599 1.00 24.43 H new ATOM 0 HH12 ARG A 84 12.473 24.583 1.347 1.00 24.43 H new ATOM 0 HH21 ARG A 84 8.990 25.121 1.462 1.00 5.31 H new ATOM 0 HH22 ARG A 84 10.578 25.870 1.270 1.00 5.31 H new ATOM 1182 N ASN A 85 14.980 18.291 0.283 1.00 53.12 N ATOM 1183 CA ASN A 85 16.426 18.189 0.122 1.00 2.03 C ATOM 1184 C ASN A 85 16.782 17.597 -1.238 1.00 12.03 C ATOM 1185 O ASN A 85 17.900 17.760 -1.724 1.00 12.33 O ATOM 1186 CB ASN A 85 17.024 17.330 1.237 1.00 24.12 C ATOM 1187 CG ASN A 85 16.572 17.773 2.615 1.00 3.21 C ATOM 1188 OD1 ASN A 85 15.770 17.101 3.264 1.00 44.10 O ATOM 1189 ND2 ASN A 85 17.086 18.910 3.069 1.00 42.25 N ATOM 0 H ASN A 85 14.577 17.606 0.923 1.00 53.12 H new ATOM 0 HA ASN A 85 16.845 19.193 0.181 1.00 2.03 H new ATOM 0 HB2 ASN A 85 16.740 16.289 1.082 1.00 24.12 H new ATOM 0 HB3 ASN A 85 18.112 17.375 1.183 1.00 24.12 H new ATOM 0 HD21 ASN A 85 16.819 19.259 3.990 1.00 42.25 H new ATOM 0 HD22 ASN A 85 17.748 19.435 2.497 1.00 42.25 H new ATOM 1195 N GLY A 86 15.821 16.910 -1.849 1.00 13.00 N ATOM 1196 CA GLY A 86 16.053 16.304 -3.147 1.00 71.22 C ATOM 1197 C GLY A 86 16.122 14.792 -3.078 1.00 14.32 C ATOM 1198 O GLY A 86 16.036 14.111 -4.099 1.00 62.21 O ATOM 0 H GLY A 86 14.886 16.763 -1.468 1.00 13.00 H new ATOM 0 HA2 GLY A 86 15.255 16.597 -3.829 1.00 71.22 H new ATOM 0 HA3 GLY A 86 16.985 16.688 -3.562 1.00 71.22 H new ATOM 1202 N LYS A 87 16.282 14.265 -1.869 1.00 43.32 N ATOM 1203 CA LYS A 87 16.365 12.822 -1.668 1.00 62.22 C ATOM 1204 C LYS A 87 14.973 12.210 -1.548 1.00 13.54 C ATOM 1205 O LYS A 87 14.053 12.836 -1.025 1.00 74.44 O ATOM 1206 CB LYS A 87 17.184 12.507 -0.414 1.00 64.14 C ATOM 1207 CG LYS A 87 18.637 12.938 -0.513 1.00 43.23 C ATOM 1208 CD LYS A 87 19.494 11.863 -1.162 1.00 62.40 C ATOM 1209 CE LYS A 87 19.520 12.010 -2.675 1.00 63.32 C ATOM 1210 NZ LYS A 87 20.726 11.375 -3.274 1.00 44.50 N ATOM 0 H LYS A 87 16.357 14.815 -1.013 1.00 43.32 H new ATOM 0 HA LYS A 87 16.861 12.386 -2.536 1.00 62.22 H new ATOM 0 HB2 LYS A 87 16.725 13.000 0.443 1.00 64.14 H new ATOM 0 HB3 LYS A 87 17.144 11.434 -0.224 1.00 64.14 H new ATOM 0 HG2 LYS A 87 18.706 13.859 -1.092 1.00 43.23 H new ATOM 0 HG3 LYS A 87 19.021 13.159 0.483 1.00 43.23 H new ATOM 0 HD2 LYS A 87 20.510 11.922 -0.772 1.00 62.40 H new ATOM 0 HD3 LYS A 87 19.107 10.879 -0.897 1.00 62.40 H new ATOM 0 HE2 LYS A 87 18.623 11.558 -3.099 1.00 63.32 H new ATOM 0 HE3 LYS A 87 19.498 13.068 -2.937 1.00 63.32 H new ATOM 0 HZ1 LYS A 87 20.706 11.497 -4.307 1.00 44.50 H new ATOM 0 HZ2 LYS A 87 21.582 11.823 -2.889 1.00 44.50 H new ATOM 0 HZ3 LYS A 87 20.734 10.360 -3.046 1.00 44.50 H new ATOM 1220 N GLU A 88 14.829 10.980 -2.032 1.00 11.04 N ATOM 1221 CA GLU A 88 13.550 10.284 -1.977 1.00 44.31 C ATOM 1222 C GLU A 88 13.565 9.203 -0.899 1.00 3.12 C ATOM 1223 O GLU A 88 14.588 8.561 -0.659 1.00 75.03 O ATOM 1224 CB GLU A 88 13.225 9.659 -3.336 1.00 15.54 C ATOM 1225 CG GLU A 88 13.876 8.302 -3.554 1.00 43.11 C ATOM 1226 CD GLU A 88 13.615 7.746 -4.939 1.00 60.14 C ATOM 1227 OE1 GLU A 88 12.449 7.781 -5.384 1.00 75.41 O ATOM 1228 OE2 GLU A 88 14.578 7.275 -5.580 1.00 74.42 O ATOM 0 H GLU A 88 15.582 10.446 -2.466 1.00 11.04 H new ATOM 0 HA GLU A 88 12.779 11.013 -1.727 1.00 44.31 H new ATOM 0 HB2 GLU A 88 12.144 9.553 -3.428 1.00 15.54 H new ATOM 0 HB3 GLU A 88 13.547 10.338 -4.125 1.00 15.54 H new ATOM 0 HG2 GLU A 88 14.951 8.390 -3.399 1.00 43.11 H new ATOM 0 HG3 GLU A 88 13.502 7.600 -2.808 1.00 43.11 H new ATOM 1233 N THR A 89 12.421 9.008 -0.250 1.00 11.20 N ATOM 1234 CA THR A 89 12.302 8.008 0.804 1.00 43.22 C ATOM 1235 C THR A 89 11.580 6.763 0.302 1.00 50.34 C ATOM 1236 O THR A 89 10.480 6.847 -0.243 1.00 62.25 O ATOM 1237 CB THR A 89 11.547 8.566 2.026 1.00 13.15 C ATOM 1238 OG1 THR A 89 11.566 9.998 2.001 1.00 12.23 O ATOM 1239 CG2 THR A 89 12.170 8.069 3.320 1.00 4.54 C ATOM 0 H THR A 89 11.564 9.529 -0.436 1.00 11.20 H new ATOM 0 HA THR A 89 13.316 7.742 1.102 1.00 43.22 H new ATOM 0 HB THR A 89 10.516 8.215 1.980 1.00 13.15 H new ATOM 0 HG1 THR A 89 11.858 10.337 2.873 1.00 12.23 H new ATOM 0 HG21 THR A 89 11.620 8.476 4.168 1.00 4.54 H new ATOM 0 HG22 THR A 89 12.128 6.980 3.349 1.00 4.54 H new ATOM 0 HG23 THR A 89 13.209 8.394 3.372 1.00 4.54 H new ATOM 1247 N LYS A 90 12.207 5.607 0.487 1.00 5.11 N ATOM 1248 CA LYS A 90 11.625 4.342 0.054 1.00 2.13 C ATOM 1249 C LYS A 90 11.048 3.573 1.240 1.00 34.31 C ATOM 1250 O LYS A 90 11.608 3.594 2.337 1.00 51.34 O ATOM 1251 CB LYS A 90 12.678 3.488 -0.656 1.00 63.31 C ATOM 1252 CG LYS A 90 13.839 3.087 0.238 1.00 74.35 C ATOM 1253 CD LYS A 90 15.073 2.735 -0.578 1.00 35.11 C ATOM 1254 CE LYS A 90 14.751 1.723 -1.666 1.00 62.04 C ATOM 1255 NZ LYS A 90 15.807 1.684 -2.717 1.00 21.24 N ATOM 0 H LYS A 90 13.119 5.520 0.934 1.00 5.11 H new ATOM 0 HA LYS A 90 10.816 4.564 -0.642 1.00 2.13 H new ATOM 0 HB2 LYS A 90 12.202 2.588 -1.045 1.00 63.31 H new ATOM 0 HB3 LYS A 90 13.064 4.040 -1.513 1.00 63.31 H new ATOM 0 HG2 LYS A 90 14.073 3.904 0.921 1.00 74.35 H new ATOM 0 HG3 LYS A 90 13.550 2.233 0.850 1.00 74.35 H new ATOM 0 HD2 LYS A 90 15.482 3.639 -1.030 1.00 35.11 H new ATOM 0 HD3 LYS A 90 15.843 2.331 0.080 1.00 35.11 H new ATOM 0 HE2 LYS A 90 14.644 0.733 -1.222 1.00 62.04 H new ATOM 0 HE3 LYS A 90 13.793 1.973 -2.122 1.00 62.04 H new ATOM 0 HZ1 LYS A 90 15.551 0.982 -3.441 1.00 21.24 H new ATOM 0 HZ2 LYS A 90 15.892 2.622 -3.159 1.00 21.24 H new ATOM 0 HZ3 LYS A 90 16.716 1.421 -2.286 1.00 21.24 H new ATOM 1265 N SER A 91 9.928 2.897 1.012 1.00 1.15 N ATOM 1266 CA SER A 91 9.274 2.124 2.063 1.00 34.33 C ATOM 1267 C SER A 91 8.662 0.847 1.496 1.00 24.12 C ATOM 1268 O SER A 91 7.891 0.887 0.539 1.00 64.02 O ATOM 1269 CB SER A 91 8.192 2.963 2.745 1.00 42.21 C ATOM 1270 OG SER A 91 8.662 4.270 3.026 1.00 73.41 O ATOM 0 H SER A 91 9.453 2.868 0.110 1.00 1.15 H new ATOM 0 HA SER A 91 10.028 1.849 2.801 1.00 34.33 H new ATOM 0 HB2 SER A 91 7.313 3.019 2.103 1.00 42.21 H new ATOM 0 HB3 SER A 91 7.881 2.478 3.670 1.00 42.21 H new ATOM 0 HG SER A 91 8.098 4.926 2.566 1.00 73.41 H new ATOM 1275 N ASN A 92 9.012 -0.286 2.096 1.00 24.23 N ATOM 1276 CA ASN A 92 8.498 -1.578 1.653 1.00 34.31 C ATOM 1277 C ASN A 92 7.771 -2.293 2.788 1.00 73.02 C ATOM 1278 O ASN A 92 8.336 -2.512 3.860 1.00 61.53 O ATOM 1279 CB ASN A 92 9.640 -2.452 1.132 1.00 42.32 C ATOM 1280 CG ASN A 92 9.371 -3.931 1.329 1.00 12.31 C ATOM 1281 OD1 ASN A 92 10.169 -4.643 1.940 1.00 54.25 O ATOM 1282 ND2 ASN A 92 8.243 -4.402 0.812 1.00 60.05 N ATOM 0 H ASN A 92 9.650 -0.336 2.891 1.00 24.23 H new ATOM 0 HA ASN A 92 7.787 -1.401 0.846 1.00 34.31 H new ATOM 0 HB2 ASN A 92 9.793 -2.251 0.072 1.00 42.32 H new ATOM 0 HB3 ASN A 92 10.564 -2.182 1.644 1.00 42.32 H new ATOM 0 HD21 ASN A 92 8.009 -5.390 0.913 1.00 60.05 H new ATOM 0 HD22 ASN A 92 7.610 -3.776 0.313 1.00 60.05 H new ATOM 1288 N TYR A 93 6.517 -2.655 2.543 1.00 72.53 N ATOM 1289 CA TYR A 93 5.711 -3.344 3.545 1.00 75.34 C ATOM 1290 C TYR A 93 5.081 -4.605 2.963 1.00 54.04 C ATOM 1291 O TYR A 93 4.412 -4.559 1.931 1.00 23.32 O ATOM 1292 CB TYR A 93 4.620 -2.415 4.079 1.00 21.04 C ATOM 1293 CG TYR A 93 5.120 -1.033 4.432 1.00 60.33 C ATOM 1294 CD1 TYR A 93 5.880 -0.817 5.574 1.00 12.01 C ATOM 1295 CD2 TYR A 93 4.834 0.059 3.620 1.00 21.23 C ATOM 1296 CE1 TYR A 93 6.338 0.444 5.901 1.00 65.33 C ATOM 1297 CE2 TYR A 93 5.289 1.324 3.938 1.00 71.34 C ATOM 1298 CZ TYR A 93 6.039 1.512 5.079 1.00 52.42 C ATOM 1299 OH TYR A 93 6.495 2.769 5.400 1.00 13.10 O ATOM 0 H TYR A 93 6.036 -2.483 1.660 1.00 72.53 H new ATOM 0 HA TYR A 93 6.367 -3.633 4.366 1.00 75.34 H new ATOM 0 HB2 TYR A 93 3.832 -2.327 3.331 1.00 21.04 H new ATOM 0 HB3 TYR A 93 4.171 -2.867 4.964 1.00 21.04 H new ATOM 0 HD1 TYR A 93 6.117 -1.651 6.218 1.00 12.01 H new ATOM 0 HD2 TYR A 93 4.246 -0.084 2.725 1.00 21.23 H new ATOM 0 HE1 TYR A 93 6.926 0.594 6.794 1.00 65.33 H new ATOM 0 HE2 TYR A 93 5.058 2.161 3.296 1.00 71.34 H new ATOM 0 HH TYR A 93 5.847 3.439 5.098 1.00 13.10 H new ATOM 1308 N ARG A 94 5.302 -5.732 3.633 1.00 12.34 N ATOM 1309 CA ARG A 94 4.757 -7.007 3.183 1.00 61.01 C ATOM 1310 C ARG A 94 3.326 -7.192 3.677 1.00 72.11 C ATOM 1311 O ARG A 94 3.034 -6.993 4.856 1.00 35.35 O ATOM 1312 CB ARG A 94 5.631 -8.162 3.678 1.00 42.10 C ATOM 1313 CG ARG A 94 7.117 -7.844 3.680 1.00 73.40 C ATOM 1314 CD ARG A 94 7.629 -7.558 2.277 1.00 20.04 C ATOM 1315 NE ARG A 94 9.051 -7.226 2.271 1.00 53.11 N ATOM 1316 CZ ARG A 94 10.013 -8.106 2.518 1.00 42.32 C ATOM 1317 NH1 ARG A 94 9.708 -9.367 2.791 1.00 54.12 N ATOM 1318 NH2 ARG A 94 11.284 -7.727 2.493 1.00 55.41 N ATOM 0 H ARG A 94 5.854 -5.788 4.489 1.00 12.34 H new ATOM 0 HA ARG A 94 4.750 -7.006 2.093 1.00 61.01 H new ATOM 0 HB2 ARG A 94 5.324 -8.431 4.689 1.00 42.10 H new ATOM 0 HB3 ARG A 94 5.456 -9.035 3.049 1.00 42.10 H new ATOM 0 HG2 ARG A 94 7.304 -6.981 4.319 1.00 73.40 H new ATOM 0 HG3 ARG A 94 7.669 -8.682 4.106 1.00 73.40 H new ATOM 0 HD2 ARG A 94 7.457 -8.428 1.644 1.00 20.04 H new ATOM 0 HD3 ARG A 94 7.062 -6.733 1.845 1.00 20.04 H new ATOM 0 HE ARG A 94 9.320 -6.264 2.065 1.00 53.11 H new ATOM 0 HH11 ARG A 94 8.732 -9.663 2.812 1.00 54.12 H new ATOM 0 HH12 ARG A 94 10.449 -10.041 2.980 1.00 54.12 H new ATOM 0 HH21 ARG A 94 11.523 -6.758 2.284 1.00 55.41 H new ATOM 0 HH22 ARG A 94 12.022 -8.405 2.683 1.00 55.41 H new ATOM 1329 N VAL A 95 2.435 -7.571 2.766 1.00 4.22 N ATOM 1330 CA VAL A 95 1.034 -7.784 3.109 1.00 34.12 C ATOM 1331 C VAL A 95 0.607 -9.218 2.815 1.00 62.54 C ATOM 1332 O VAL A 95 0.900 -9.757 1.748 1.00 4.12 O ATOM 1333 CB VAL A 95 0.117 -6.818 2.337 1.00 22.43 C ATOM 1334 CG1 VAL A 95 -1.347 -7.153 2.591 1.00 35.10 C ATOM 1335 CG2 VAL A 95 0.415 -5.376 2.722 1.00 2.42 C ATOM 0 H VAL A 95 2.659 -7.737 1.785 1.00 4.22 H new ATOM 0 HA VAL A 95 0.936 -7.592 4.178 1.00 34.12 H new ATOM 0 HB VAL A 95 0.313 -6.934 1.271 1.00 22.43 H new ATOM 0 HG11 VAL A 95 -1.980 -6.460 2.037 1.00 35.10 H new ATOM 0 HG12 VAL A 95 -1.550 -8.172 2.261 1.00 35.10 H new ATOM 0 HG13 VAL A 95 -1.560 -7.067 3.656 1.00 35.10 H new ATOM 0 HG21 VAL A 95 -0.243 -4.708 2.166 1.00 2.42 H new ATOM 0 HG22 VAL A 95 0.248 -5.243 3.791 1.00 2.42 H new ATOM 0 HG23 VAL A 95 1.453 -5.143 2.485 1.00 2.42 H new ATOM 1345 N ARG A 96 -0.089 -9.828 3.768 1.00 4.25 N ATOM 1346 CA ARG A 96 -0.557 -11.200 3.613 1.00 4.32 C ATOM 1347 C ARG A 96 -2.032 -11.318 3.985 1.00 20.11 C ATOM 1348 O ARG A 96 -2.449 -10.880 5.057 1.00 2.24 O ATOM 1349 CB ARG A 96 0.275 -12.147 4.479 1.00 20.43 C ATOM 1350 CG ARG A 96 1.205 -13.046 3.680 1.00 3.12 C ATOM 1351 CD ARG A 96 2.145 -12.236 2.803 1.00 52.33 C ATOM 1352 NE ARG A 96 3.484 -12.817 2.753 1.00 34.31 N ATOM 1353 CZ ARG A 96 4.460 -12.350 1.981 1.00 64.10 C ATOM 1354 NH1 ARG A 96 4.246 -11.302 1.198 1.00 35.41 N ATOM 1355 NH2 ARG A 96 5.652 -12.932 1.992 1.00 4.21 N ATOM 0 H ARG A 96 -0.341 -9.394 4.656 1.00 4.25 H new ATOM 0 HA ARG A 96 -0.441 -11.479 2.566 1.00 4.32 H new ATOM 0 HB2 ARG A 96 0.867 -11.559 5.180 1.00 20.43 H new ATOM 0 HB3 ARG A 96 -0.397 -12.768 5.071 1.00 20.43 H new ATOM 0 HG2 ARG A 96 1.786 -13.667 4.361 1.00 3.12 H new ATOM 0 HG3 ARG A 96 0.616 -13.720 3.058 1.00 3.12 H new ATOM 0 HD2 ARG A 96 1.738 -12.176 1.794 1.00 52.33 H new ATOM 0 HD3 ARG A 96 2.206 -11.216 3.183 1.00 52.33 H new ATOM 0 HE ARG A 96 3.681 -13.625 3.343 1.00 34.31 H new ATOM 0 HH11 ARG A 96 3.331 -10.852 1.187 1.00 35.41 H new ATOM 0 HH12 ARG A 96 4.997 -10.946 0.607 1.00 35.41 H new ATOM 0 HH21 ARG A 96 5.820 -13.739 2.593 1.00 4.21 H new ATOM 0 HH22 ARG A 96 6.400 -12.573 1.399 1.00 4.21 H new ATOM 1366 N VAL A 97 -2.818 -11.910 3.091 1.00 54.31 N ATOM 1367 CA VAL A 97 -4.246 -12.086 3.324 1.00 14.41 C ATOM 1368 C VAL A 97 -4.545 -13.476 3.876 1.00 1.02 C ATOM 1369 O VAL A 97 -3.634 -14.264 4.130 1.00 23.21 O ATOM 1370 CB VAL A 97 -5.056 -11.872 2.032 1.00 4.34 C ATOM 1371 CG1 VAL A 97 -4.645 -10.577 1.352 1.00 72.13 C ATOM 1372 CG2 VAL A 97 -4.882 -13.057 1.094 1.00 73.12 C ATOM 0 H VAL A 97 -2.489 -12.276 2.198 1.00 54.31 H new ATOM 0 HA VAL A 97 -4.543 -11.336 4.057 1.00 14.41 H new ATOM 0 HB VAL A 97 -6.112 -11.796 2.293 1.00 4.34 H new ATOM 0 HG11 VAL A 97 -5.228 -10.443 0.441 1.00 72.13 H new ATOM 0 HG12 VAL A 97 -4.826 -9.739 2.025 1.00 72.13 H new ATOM 0 HG13 VAL A 97 -3.585 -10.618 1.101 1.00 72.13 H new ATOM 0 HG21 VAL A 97 -5.461 -12.890 0.186 1.00 73.12 H new ATOM 0 HG22 VAL A 97 -3.828 -13.167 0.838 1.00 73.12 H new ATOM 0 HG23 VAL A 97 -5.232 -13.965 1.586 1.00 73.12 H new ATOM 1382 N TYR A 98 -5.828 -13.769 4.060 1.00 30.30 N ATOM 1383 CA TYR A 98 -6.249 -15.062 4.583 1.00 52.13 C ATOM 1384 C TYR A 98 -5.825 -16.192 3.649 1.00 34.13 C ATOM 1385 O TYR A 98 -4.831 -16.876 3.896 1.00 21.54 O ATOM 1386 CB TYR A 98 -7.766 -15.089 4.776 1.00 21.01 C ATOM 1387 CG TYR A 98 -8.300 -16.441 5.193 1.00 14.04 C ATOM 1388 CD1 TYR A 98 -7.716 -17.148 6.238 1.00 45.43 C ATOM 1389 CD2 TYR A 98 -9.387 -17.012 4.543 1.00 50.24 C ATOM 1390 CE1 TYR A 98 -8.200 -18.384 6.623 1.00 74.04 C ATOM 1391 CE2 TYR A 98 -9.879 -18.246 4.921 1.00 15.24 C ATOM 1392 CZ TYR A 98 -9.282 -18.929 5.961 1.00 74.32 C ATOM 1393 OH TYR A 98 -9.766 -20.159 6.340 1.00 63.23 O ATOM 0 H TYR A 98 -6.594 -13.128 3.854 1.00 30.30 H new ATOM 0 HA TYR A 98 -5.764 -15.210 5.548 1.00 52.13 H new ATOM 0 HB2 TYR A 98 -8.041 -14.351 5.530 1.00 21.01 H new ATOM 0 HB3 TYR A 98 -8.248 -14.789 3.845 1.00 21.01 H new ATOM 0 HD1 TYR A 98 -6.870 -16.724 6.758 1.00 45.43 H new ATOM 0 HD2 TYR A 98 -9.856 -16.481 3.727 1.00 50.24 H new ATOM 0 HE1 TYR A 98 -7.735 -18.920 7.437 1.00 74.04 H new ATOM 0 HE2 TYR A 98 -10.726 -18.674 4.406 1.00 15.24 H new ATOM 0 HH TYR A 98 -10.530 -20.398 5.775 1.00 63.23 H new ATOM 1402 N GLN A 99 -6.585 -16.381 2.576 1.00 73.21 N ATOM 1403 CA GLN A 99 -6.289 -17.428 1.605 1.00 55.33 C ATOM 1404 C GLN A 99 -5.036 -17.086 0.802 1.00 63.11 C ATOM 1405 O GLN A 99 -4.786 -15.921 0.489 1.00 24.11 O ATOM 1406 CB GLN A 99 -7.475 -17.629 0.662 1.00 60.15 C ATOM 1407 CG GLN A 99 -7.320 -18.823 -0.265 1.00 53.23 C ATOM 1408 CD GLN A 99 -7.660 -20.135 0.412 1.00 1.51 C ATOM 1409 OE1 GLN A 99 -6.747 -20.628 1.242 1.00 42.22 O flip ATOM 1410 NE2 GLN A 99 -8.731 -20.701 0.193 1.00 72.14 N flip ATOM 0 H GLN A 99 -7.410 -15.823 2.357 1.00 73.21 H new ATOM 0 HA GLN A 99 -6.108 -18.354 2.150 1.00 55.33 H new ATOM 0 HB2 GLN A 99 -8.382 -17.754 1.254 1.00 60.15 H new ATOM 0 HB3 GLN A 99 -7.608 -16.729 0.062 1.00 60.15 H new ATOM 0 HG2 GLN A 99 -7.964 -18.689 -1.134 1.00 53.23 H new ATOM 0 HG3 GLN A 99 -6.294 -18.863 -0.632 1.00 53.23 H new ATOM 0 HE21 GLN A 99 -9.404 -20.287 -0.452 1.00 72.14 H new ATOM 0 HE22 GLN A 99 -8.945 -21.584 0.657 1.00 72.14 H new ATOM 1417 N ILE A 100 -4.255 -18.108 0.471 1.00 33.44 N ATOM 1418 CA ILE A 100 -3.030 -17.916 -0.295 1.00 62.45 C ATOM 1419 C ILE A 100 -3.064 -18.714 -1.594 1.00 30.31 C ATOM 1420 O ILE A 100 -3.818 -19.676 -1.742 1.00 63.21 O ATOM 1421 CB ILE A 100 -1.788 -18.328 0.515 1.00 14.50 C ATOM 1422 CG1 ILE A 100 -2.189 -19.232 1.682 1.00 23.23 C ATOM 1423 CG2 ILE A 100 -1.053 -17.095 1.021 1.00 14.32 C ATOM 1424 CD1 ILE A 100 -1.013 -19.746 2.481 1.00 2.03 C ATOM 0 H ILE A 100 -4.449 -19.078 0.721 1.00 33.44 H new ATOM 0 HA ILE A 100 -2.966 -16.853 -0.526 1.00 62.45 H new ATOM 0 HB ILE A 100 -1.116 -18.886 -0.137 1.00 14.50 H new ATOM 0 HG12 ILE A 100 -2.855 -18.681 2.346 1.00 23.23 H new ATOM 0 HG13 ILE A 100 -2.754 -20.080 1.296 1.00 23.23 H new ATOM 0 HG21 ILE A 100 -0.177 -17.402 1.592 1.00 14.32 H new ATOM 0 HG22 ILE A 100 -0.738 -16.486 0.174 1.00 14.32 H new ATOM 0 HG23 ILE A 100 -1.717 -16.513 1.660 1.00 14.32 H new ATOM 0 HD11 ILE A 100 -1.373 -20.380 3.292 1.00 2.03 H new ATOM 0 HD12 ILE A 100 -0.357 -20.325 1.831 1.00 2.03 H new ATOM 0 HD13 ILE A 100 -0.460 -18.904 2.897 1.00 2.03 H new ATOM 1435 N PRO A 101 -2.227 -18.308 -2.560 1.00 53.54 N ATOM 1436 CA PRO A 101 -2.139 -18.974 -3.863 1.00 61.53 C ATOM 1437 C PRO A 101 -1.511 -20.361 -3.765 1.00 72.45 C ATOM 1438 O PRO A 101 -0.349 -20.501 -3.389 1.00 12.02 O ATOM 1439 CB PRO A 101 -1.244 -18.039 -4.680 1.00 73.01 C ATOM 1440 CG PRO A 101 -0.423 -17.320 -3.667 1.00 72.31 C ATOM 1441 CD PRO A 101 -1.299 -17.170 -2.454 1.00 53.30 C ATOM 0 HA PRO A 101 -3.122 -19.138 -4.303 1.00 61.53 H new ATOM 0 HB2 PRO A 101 -0.616 -18.598 -5.374 1.00 73.01 H new ATOM 0 HB3 PRO A 101 -1.836 -17.344 -5.275 1.00 73.01 H new ATOM 0 HG2 PRO A 101 0.481 -17.880 -3.428 1.00 72.31 H new ATOM 0 HG3 PRO A 101 -0.105 -16.347 -4.042 1.00 72.31 H new ATOM 0 HD2 PRO A 101 -0.719 -17.209 -1.532 1.00 53.30 H new ATOM 0 HD3 PRO A 101 -1.829 -16.218 -2.457 1.00 53.30 H new