USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 657 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 57 GLN :FLIP amide:sc= 0.439 F(o=0.23,f=0.92) USER MOD Set 1.2: A 80 TYR OH : rot 132:sc= 0.484 USER MOD Single : A 1 GLY N :NH3+ -134:sc= 0.127 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc=-0.00527 K(o=-0.0053,f=-0.84) USER MOD Single : A 6 GLN : amide:sc= 0.557 K(o=0.56,f=-0.03) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.00208 USER MOD Single : A 15 GLN : amide:sc= 0.116 X(o=0.12,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 155:sc= 0.61 (180deg=0.363) USER MOD Single : A 25 TYR OH : rot -120:sc= -0.198 USER MOD Single : A 32 HIS :FLIP no HD1:sc= 0.0109 F(o=-0.68,f=0.011) USER MOD Single : A 33 SER OG : rot -40:sc= 0.197 USER MOD Single : A 44 LYS NZ :NH3+ -151:sc= 1.04 (180deg=0.37) USER MOD Single : A 47 ASN :FLIP amide:sc= -0.395 F(o=-0.89,f=-0.39) USER MOD Single : A 56 GLN :FLIP amide:sc= 0 F(o=-0.64,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 146:sc= 1.07 (180deg=0.378) USER MOD Single : A 61 SER OG : rot -110:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0.091 USER MOD Single : A 65 HIS : no HD1:sc= -0.0413 X(o=-0.041,f=-0.46) USER MOD Single : A 67 GLN : amide:sc= -0.0169 X(o=-0.017,f=-0.017) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=-0.054) USER MOD Single : A 69 LYS NZ :NH3+ 144:sc= 0.549 (180deg=0.384) USER MOD Single : A 70 SER OG : rot -119:sc= 1.21 USER MOD Single : A 74 CYS SG : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl 158:sc= -1.05 (180deg=-2.63) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.0469 USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.432 -3.782 -7.295 1.00 64.23 N ATOM 2 CA GLY A 1 13.881 -2.469 -6.955 1.00 63.45 C ATOM 3 C GLY A 1 14.946 -1.589 -6.338 1.00 1.03 C ATOM 4 O GLY A 1 16.126 -1.951 -6.349 1.00 14.41 O ATOM 0 H1 GLY A 1 14.128 -4.048 -8.253 1.00 64.23 H new ATOM 0 H2 GLY A 1 15.471 -3.742 -7.259 1.00 64.23 H new ATOM 0 H3 GLY A 1 14.089 -4.489 -6.614 1.00 64.23 H new ATOM 0 HA2 GLY A 1 13.482 -1.993 -7.851 1.00 63.45 H new ATOM 0 HA3 GLY A 1 13.050 -2.586 -6.259 1.00 63.45 H new ATOM 8 N SER A 2 14.544 -0.455 -5.768 1.00 20.14 N ATOM 9 CA SER A 2 15.353 0.217 -4.764 1.00 15.41 C ATOM 10 C SER A 2 15.377 -0.624 -3.475 1.00 53.21 C ATOM 11 O SER A 2 14.750 -1.683 -3.387 1.00 64.12 O ATOM 12 CB SER A 2 14.784 1.613 -4.520 1.00 34.30 C ATOM 13 OG SER A 2 15.359 2.572 -5.388 1.00 2.01 O ATOM 0 H SER A 2 13.665 0.014 -5.986 1.00 20.14 H new ATOM 0 HA SER A 2 16.381 0.323 -5.109 1.00 15.41 H new ATOM 0 HB2 SER A 2 13.703 1.595 -4.662 1.00 34.30 H new ATOM 0 HB3 SER A 2 14.965 1.904 -3.485 1.00 34.30 H new ATOM 0 HG SER A 2 14.971 3.453 -5.205 1.00 2.01 H new ATOM 19 N GLU A 3 16.091 -0.130 -2.461 1.00 60.51 N ATOM 20 CA GLU A 3 16.232 -0.749 -1.147 1.00 3.21 C ATOM 21 C GLU A 3 14.893 -1.157 -0.532 1.00 62.12 C ATOM 22 O GLU A 3 14.816 -2.189 0.135 1.00 44.42 O ATOM 23 CB GLU A 3 16.981 0.208 -0.201 1.00 54.24 C ATOM 24 CG GLU A 3 16.335 1.597 -0.016 1.00 11.13 C ATOM 25 CD GLU A 3 16.818 2.314 1.243 1.00 64.45 C ATOM 26 OE1 GLU A 3 16.693 1.749 2.359 1.00 15.41 O ATOM 27 OE2 GLU A 3 17.252 3.483 1.148 1.00 24.40 O ATOM 0 H GLU A 3 16.606 0.747 -2.539 1.00 60.51 H new ATOM 0 HA GLU A 3 16.805 -1.666 -1.284 1.00 3.21 H new ATOM 0 HB2 GLU A 3 17.066 -0.267 0.776 1.00 54.24 H new ATOM 0 HB3 GLU A 3 17.994 0.345 -0.578 1.00 54.24 H new ATOM 0 HG2 GLU A 3 16.556 2.214 -0.887 1.00 11.13 H new ATOM 0 HG3 GLU A 3 15.252 1.485 0.029 1.00 11.13 H new ATOM 34 N ASN A 4 13.854 -0.351 -0.770 1.00 12.00 N ATOM 35 CA ASN A 4 12.589 -0.412 -0.050 1.00 3.03 C ATOM 36 C ASN A 4 11.951 -1.772 -0.249 1.00 75.15 C ATOM 37 O ASN A 4 11.332 -2.305 0.663 1.00 75.45 O ATOM 38 CB ASN A 4 11.599 0.679 -0.504 1.00 23.21 C ATOM 39 CG ASN A 4 12.259 1.974 -0.940 1.00 54.25 C ATOM 40 OD1 ASN A 4 12.548 2.855 -0.139 1.00 53.31 O ATOM 41 ND2 ASN A 4 12.529 2.112 -2.228 1.00 31.43 N ATOM 0 H ASN A 4 13.875 0.376 -1.485 1.00 12.00 H new ATOM 0 HA ASN A 4 12.812 -0.243 1.003 1.00 3.03 H new ATOM 0 HB2 ASN A 4 11.003 0.292 -1.330 1.00 23.21 H new ATOM 0 HB3 ASN A 4 10.910 0.892 0.314 1.00 23.21 H new ATOM 0 HD21 ASN A 4 12.984 2.960 -2.566 1.00 31.43 H new ATOM 0 HD22 ASN A 4 12.283 1.370 -2.883 1.00 31.43 H new ATOM 48 N PHE A 5 12.139 -2.342 -1.441 1.00 0.22 N ATOM 49 CA PHE A 5 11.682 -3.664 -1.810 1.00 21.23 C ATOM 50 C PHE A 5 11.984 -4.665 -0.695 1.00 11.13 C ATOM 51 O PHE A 5 11.072 -5.321 -0.197 1.00 14.02 O ATOM 52 CB PHE A 5 12.374 -4.042 -3.125 1.00 22.10 C ATOM 53 CG PHE A 5 11.942 -5.362 -3.726 1.00 22.21 C ATOM 54 CD1 PHE A 5 10.596 -5.566 -4.080 1.00 61.12 C ATOM 55 CD2 PHE A 5 12.891 -6.377 -3.959 1.00 41.43 C ATOM 56 CE1 PHE A 5 10.212 -6.770 -4.692 1.00 2.01 C ATOM 57 CE2 PHE A 5 12.504 -7.571 -4.589 1.00 11.04 C ATOM 58 CZ PHE A 5 11.167 -7.754 -4.979 1.00 40.14 C ATOM 0 H PHE A 5 12.634 -1.869 -2.198 1.00 0.22 H new ATOM 0 HA PHE A 5 10.601 -3.678 -1.952 1.00 21.23 H new ATOM 0 HB2 PHE A 5 12.190 -3.252 -3.853 1.00 22.10 H new ATOM 0 HB3 PHE A 5 13.450 -4.074 -2.954 1.00 22.10 H new ATOM 0 HD1 PHE A 5 9.861 -4.800 -3.882 1.00 61.12 H new ATOM 0 HD2 PHE A 5 13.917 -6.237 -3.653 1.00 41.43 H new ATOM 0 HE1 PHE A 5 9.175 -6.938 -4.943 1.00 2.01 H new ATOM 0 HE2 PHE A 5 13.233 -8.347 -4.773 1.00 11.04 H new ATOM 0 HZ PHE A 5 10.875 -8.654 -5.500 1.00 40.14 H new ATOM 68 N GLN A 6 13.246 -4.755 -0.268 1.00 21.21 N ATOM 69 CA GLN A 6 13.657 -5.721 0.738 1.00 63.45 C ATOM 70 C GLN A 6 13.030 -5.422 2.107 1.00 33.34 C ATOM 71 O GLN A 6 12.743 -6.376 2.832 1.00 42.12 O ATOM 72 CB GLN A 6 15.190 -5.790 0.782 1.00 63.33 C ATOM 73 CG GLN A 6 15.745 -6.803 1.793 1.00 60.21 C ATOM 74 CD GLN A 6 15.338 -8.258 1.552 1.00 51.22 C ATOM 75 OE1 GLN A 6 16.000 -8.984 0.813 1.00 40.41 O ATOM 76 NE2 GLN A 6 14.272 -8.714 2.196 1.00 0.42 N ATOM 0 H GLN A 6 14.002 -4.162 -0.611 1.00 21.21 H new ATOM 0 HA GLN A 6 13.285 -6.707 0.461 1.00 63.45 H new ATOM 0 HB2 GLN A 6 15.560 -6.045 -0.211 1.00 63.33 H new ATOM 0 HB3 GLN A 6 15.580 -4.801 1.023 1.00 63.33 H new ATOM 0 HG2 GLN A 6 16.833 -6.741 1.784 1.00 60.21 H new ATOM 0 HG3 GLN A 6 15.417 -6.512 2.791 1.00 60.21 H new ATOM 0 HE21 GLN A 6 13.739 -8.092 2.804 1.00 0.42 H new ATOM 0 HE22 GLN A 6 13.986 -9.686 2.084 1.00 0.42 H new ATOM 85 N THR A 7 12.773 -4.157 2.457 1.00 33.54 N ATOM 86 CA THR A 7 12.033 -3.813 3.668 1.00 33.53 C ATOM 87 C THR A 7 10.631 -4.431 3.608 1.00 75.25 C ATOM 88 O THR A 7 10.189 -5.059 4.570 1.00 3.21 O ATOM 89 CB THR A 7 11.955 -2.284 3.832 1.00 51.23 C ATOM 90 OG1 THR A 7 13.203 -1.663 3.564 1.00 64.23 O ATOM 91 CG2 THR A 7 11.501 -1.866 5.233 1.00 42.22 C ATOM 0 H THR A 7 13.072 -3.350 1.910 1.00 33.54 H new ATOM 0 HA THR A 7 12.555 -4.217 4.536 1.00 33.53 H new ATOM 0 HB THR A 7 11.213 -1.953 3.106 1.00 51.23 H new ATOM 0 HG1 THR A 7 13.117 -0.693 3.676 1.00 64.23 H new ATOM 0 HG21 THR A 7 11.463 -0.778 5.294 1.00 42.22 H new ATOM 0 HG22 THR A 7 10.510 -2.275 5.432 1.00 42.22 H new ATOM 0 HG23 THR A 7 12.206 -2.247 5.972 1.00 42.22 H new ATOM 99 N LEU A 8 9.921 -4.299 2.480 1.00 42.21 N ATOM 100 CA LEU A 8 8.591 -4.886 2.358 1.00 62.25 C ATOM 101 C LEU A 8 8.658 -6.418 2.431 1.00 1.31 C ATOM 102 O LEU A 8 7.820 -7.032 3.093 1.00 41.04 O ATOM 103 CB LEU A 8 7.877 -4.436 1.072 1.00 35.43 C ATOM 104 CG LEU A 8 7.294 -2.998 1.005 1.00 22.10 C ATOM 105 CD1 LEU A 8 6.894 -2.393 2.359 1.00 31.51 C ATOM 106 CD2 LEU A 8 8.231 -2.002 0.312 1.00 44.34 C ATOM 0 H LEU A 8 10.244 -3.797 1.653 1.00 42.21 H new ATOM 0 HA LEU A 8 8.003 -4.523 3.201 1.00 62.25 H new ATOM 0 HB2 LEU A 8 8.582 -4.545 0.248 1.00 35.43 H new ATOM 0 HB3 LEU A 8 7.059 -5.133 0.887 1.00 35.43 H new ATOM 0 HG LEU A 8 6.389 -3.145 0.416 1.00 22.10 H new ATOM 0 HD11 LEU A 8 6.499 -1.389 2.206 1.00 31.51 H new ATOM 0 HD12 LEU A 8 6.131 -3.016 2.825 1.00 31.51 H new ATOM 0 HD13 LEU A 8 7.768 -2.344 3.008 1.00 31.51 H new ATOM 0 HD21 LEU A 8 7.767 -1.016 0.297 1.00 44.34 H new ATOM 0 HD22 LEU A 8 9.174 -1.951 0.856 1.00 44.34 H new ATOM 0 HD23 LEU A 8 8.419 -2.330 -0.710 1.00 44.34 H new ATOM 118 N LEU A 9 9.655 -7.050 1.802 1.00 23.10 N ATOM 119 CA LEU A 9 9.829 -8.506 1.865 1.00 72.52 C ATOM 120 C LEU A 9 10.117 -8.993 3.292 1.00 72.23 C ATOM 121 O LEU A 9 9.952 -10.182 3.566 1.00 2.20 O ATOM 122 CB LEU A 9 10.969 -8.982 0.937 1.00 62.11 C ATOM 123 CG LEU A 9 10.627 -9.277 -0.535 1.00 0.31 C ATOM 124 CD1 LEU A 9 9.444 -10.233 -0.707 1.00 43.12 C ATOM 125 CD2 LEU A 9 10.422 -8.022 -1.364 1.00 35.30 C ATOM 0 H LEU A 9 10.359 -6.572 1.239 1.00 23.10 H new ATOM 0 HA LEU A 9 8.885 -8.935 1.530 1.00 72.52 H new ATOM 0 HB2 LEU A 9 11.751 -8.223 0.952 1.00 62.11 H new ATOM 0 HB3 LEU A 9 11.395 -9.888 1.369 1.00 62.11 H new ATOM 0 HG LEU A 9 11.512 -9.785 -0.919 1.00 0.31 H new ATOM 0 HD11 LEU A 9 9.259 -10.396 -1.769 1.00 43.12 H new ATOM 0 HD12 LEU A 9 9.673 -11.185 -0.228 1.00 43.12 H new ATOM 0 HD13 LEU A 9 8.556 -9.800 -0.247 1.00 43.12 H new ATOM 0 HD21 LEU A 9 10.184 -8.299 -2.391 1.00 35.30 H new ATOM 0 HD22 LEU A 9 9.601 -7.440 -0.946 1.00 35.30 H new ATOM 0 HD23 LEU A 9 11.334 -7.425 -1.351 1.00 35.30 H new ATOM 137 N ASP A 10 10.574 -8.121 4.189 1.00 54.04 N ATOM 138 CA ASP A 10 10.802 -8.432 5.606 1.00 2.44 C ATOM 139 C ASP A 10 9.496 -8.215 6.384 1.00 54.35 C ATOM 140 O ASP A 10 9.129 -9.002 7.254 1.00 20.21 O ATOM 141 CB ASP A 10 11.951 -7.547 6.137 1.00 63.22 C ATOM 142 CG ASP A 10 12.384 -7.802 7.592 1.00 64.54 C ATOM 143 OD1 ASP A 10 11.585 -8.264 8.439 1.00 11.31 O ATOM 144 OD2 ASP A 10 13.538 -7.478 7.954 1.00 71.24 O ATOM 0 H ASP A 10 10.802 -7.156 3.949 1.00 54.04 H new ATOM 0 HA ASP A 10 11.096 -9.474 5.735 1.00 2.44 H new ATOM 0 HB2 ASP A 10 12.818 -7.686 5.491 1.00 63.22 H new ATOM 0 HB3 ASP A 10 11.650 -6.503 6.046 1.00 63.22 H new ATOM 149 N ALA A 11 8.719 -7.193 6.012 1.00 61.41 N ATOM 150 CA ALA A 11 7.594 -6.639 6.758 1.00 72.34 C ATOM 151 C ALA A 11 6.440 -7.619 6.928 1.00 43.34 C ATOM 152 O ALA A 11 5.568 -7.411 7.773 1.00 2.22 O ATOM 153 CB ALA A 11 7.068 -5.408 6.015 1.00 63.25 C ATOM 0 H ALA A 11 8.871 -6.704 5.130 1.00 61.41 H new ATOM 0 HA ALA A 11 7.965 -6.393 7.753 1.00 72.34 H new ATOM 0 HB1 ALA A 11 6.226 -4.984 6.563 1.00 63.25 H new ATOM 0 HB2 ALA A 11 7.861 -4.664 5.936 1.00 63.25 H new ATOM 0 HB3 ALA A 11 6.742 -5.698 5.016 1.00 63.25 H new ATOM 159 N GLY A 12 6.410 -8.666 6.110 1.00 34.14 N ATOM 160 CA GLY A 12 5.407 -9.706 6.175 1.00 42.04 C ATOM 161 C GLY A 12 4.697 -9.937 4.849 1.00 55.13 C ATOM 162 O GLY A 12 3.581 -10.460 4.845 1.00 41.02 O ATOM 0 H GLY A 12 7.098 -8.812 5.372 1.00 34.14 H new ATOM 0 HA2 GLY A 12 5.877 -10.636 6.495 1.00 42.04 H new ATOM 0 HA3 GLY A 12 4.670 -9.444 6.934 1.00 42.04 H new ATOM 166 N LEU A 13 5.265 -9.459 3.739 1.00 11.22 N ATOM 167 CA LEU A 13 4.484 -9.182 2.543 1.00 51.24 C ATOM 168 C LEU A 13 4.842 -10.130 1.392 1.00 2.25 C ATOM 169 O LEU A 13 5.989 -10.585 1.284 1.00 60.13 O ATOM 170 CB LEU A 13 4.687 -7.707 2.162 1.00 0.30 C ATOM 171 CG LEU A 13 4.252 -6.748 3.296 1.00 2.40 C ATOM 172 CD1 LEU A 13 4.609 -5.290 3.018 1.00 31.41 C ATOM 173 CD2 LEU A 13 2.752 -6.897 3.544 1.00 43.40 C ATOM 0 H LEU A 13 6.261 -9.258 3.649 1.00 11.22 H new ATOM 0 HA LEU A 13 3.428 -9.359 2.749 1.00 51.24 H new ATOM 0 HB2 LEU A 13 5.737 -7.535 1.925 1.00 0.30 H new ATOM 0 HB3 LEU A 13 4.117 -7.484 1.260 1.00 0.30 H new ATOM 0 HG LEU A 13 4.807 -7.031 4.190 1.00 2.40 H new ATOM 0 HD11 LEU A 13 4.277 -4.669 3.850 1.00 31.41 H new ATOM 0 HD12 LEU A 13 5.689 -5.195 2.902 1.00 31.41 H new ATOM 0 HD13 LEU A 13 4.116 -4.963 2.103 1.00 31.41 H new ATOM 0 HD21 LEU A 13 2.446 -6.221 4.343 1.00 43.40 H new ATOM 0 HD22 LEU A 13 2.206 -6.652 2.633 1.00 43.40 H new ATOM 0 HD23 LEU A 13 2.531 -7.924 3.834 1.00 43.40 H new ATOM 185 N PRO A 14 3.871 -10.466 0.523 1.00 31.45 N ATOM 186 CA PRO A 14 4.120 -11.264 -0.665 1.00 43.02 C ATOM 187 C PRO A 14 4.946 -10.445 -1.653 1.00 74.41 C ATOM 188 O PRO A 14 4.878 -9.213 -1.688 1.00 23.40 O ATOM 189 CB PRO A 14 2.743 -11.621 -1.228 1.00 11.14 C ATOM 190 CG PRO A 14 1.844 -10.492 -0.740 1.00 73.50 C ATOM 191 CD PRO A 14 2.466 -10.083 0.588 1.00 2.11 C ATOM 0 HA PRO A 14 4.685 -12.172 -0.455 1.00 43.02 H new ATOM 0 HB2 PRO A 14 2.759 -11.677 -2.316 1.00 11.14 H new ATOM 0 HB3 PRO A 14 2.401 -12.590 -0.864 1.00 11.14 H new ATOM 0 HG2 PRO A 14 1.825 -9.662 -1.446 1.00 73.50 H new ATOM 0 HG3 PRO A 14 0.814 -10.826 -0.614 1.00 73.50 H new ATOM 0 HD2 PRO A 14 2.364 -9.010 0.750 1.00 2.11 H new ATOM 0 HD3 PRO A 14 1.967 -10.580 1.420 1.00 2.11 H new ATOM 199 N GLN A 15 5.695 -11.132 -2.509 1.00 33.44 N ATOM 200 CA GLN A 15 6.709 -10.522 -3.330 1.00 0.14 C ATOM 201 C GLN A 15 6.021 -9.655 -4.354 1.00 61.32 C ATOM 202 O GLN A 15 6.500 -8.566 -4.644 1.00 62.55 O ATOM 203 CB GLN A 15 7.556 -11.612 -3.999 1.00 41.22 C ATOM 204 CG GLN A 15 8.557 -11.017 -4.997 1.00 15.40 C ATOM 205 CD GLN A 15 9.871 -11.783 -5.048 1.00 11.42 C ATOM 206 OE1 GLN A 15 9.908 -12.975 -5.348 1.00 62.31 O ATOM 207 NE2 GLN A 15 10.979 -11.098 -4.810 1.00 21.23 N ATOM 0 H GLN A 15 5.606 -12.139 -2.646 1.00 33.44 H new ATOM 0 HA GLN A 15 7.379 -9.906 -2.730 1.00 0.14 H new ATOM 0 HB2 GLN A 15 8.093 -12.175 -3.236 1.00 41.22 H new ATOM 0 HB3 GLN A 15 6.903 -12.316 -4.514 1.00 41.22 H new ATOM 0 HG2 GLN A 15 8.109 -11.008 -5.991 1.00 15.40 H new ATOM 0 HG3 GLN A 15 8.757 -9.980 -4.728 1.00 15.40 H new ATOM 0 HE21 GLN A 15 10.925 -10.110 -4.563 1.00 21.23 H new ATOM 0 HE22 GLN A 15 11.887 -11.558 -4.874 1.00 21.23 H new ATOM 216 N LYS A 16 4.912 -10.150 -4.911 1.00 21.21 N ATOM 217 CA LYS A 16 4.225 -9.452 -5.972 1.00 1.25 C ATOM 218 C LYS A 16 3.894 -8.041 -5.530 1.00 41.23 C ATOM 219 O LYS A 16 4.283 -7.079 -6.175 1.00 11.03 O ATOM 220 CB LYS A 16 2.930 -10.172 -6.366 1.00 21.35 C ATOM 221 CG LYS A 16 3.057 -11.194 -7.489 1.00 20.33 C ATOM 222 CD LYS A 16 3.860 -12.455 -7.174 1.00 22.33 C ATOM 223 CE LYS A 16 5.353 -12.228 -7.409 1.00 52.05 C ATOM 224 NZ LYS A 16 6.086 -13.498 -7.410 1.00 22.54 N ATOM 0 H LYS A 16 4.480 -11.032 -4.636 1.00 21.21 H new ATOM 0 HA LYS A 16 4.886 -9.427 -6.838 1.00 1.25 H new ATOM 0 HB2 LYS A 16 2.534 -10.676 -5.484 1.00 21.35 H new ATOM 0 HB3 LYS A 16 2.196 -9.423 -6.663 1.00 21.35 H new ATOM 0 HG2 LYS A 16 2.054 -11.495 -7.792 1.00 20.33 H new ATOM 0 HG3 LYS A 16 3.515 -10.703 -8.347 1.00 20.33 H new ATOM 0 HD2 LYS A 16 3.692 -12.748 -6.138 1.00 22.33 H new ATOM 0 HD3 LYS A 16 3.511 -13.278 -7.798 1.00 22.33 H new ATOM 0 HE2 LYS A 16 5.501 -11.718 -8.361 1.00 52.05 H new ATOM 0 HE3 LYS A 16 5.751 -11.575 -6.632 1.00 52.05 H new ATOM 0 HZ1 LYS A 16 7.097 -13.315 -7.572 1.00 22.54 H new ATOM 0 HZ2 LYS A 16 5.962 -13.971 -6.492 1.00 22.54 H new ATOM 0 HZ3 LYS A 16 5.720 -14.110 -8.167 1.00 22.54 H new ATOM 238 N VAL A 17 3.176 -7.935 -4.422 1.00 43.34 N ATOM 239 CA VAL A 17 2.740 -6.675 -3.869 1.00 4.01 C ATOM 240 C VAL A 17 3.982 -5.820 -3.590 1.00 44.13 C ATOM 241 O VAL A 17 4.029 -4.651 -3.982 1.00 74.54 O ATOM 242 CB VAL A 17 1.876 -6.983 -2.632 1.00 20.52 C ATOM 243 CG1 VAL A 17 1.282 -5.700 -2.074 1.00 12.42 C ATOM 244 CG2 VAL A 17 0.698 -7.912 -2.972 1.00 32.55 C ATOM 0 H VAL A 17 2.877 -8.743 -3.876 1.00 43.34 H new ATOM 0 HA VAL A 17 2.118 -6.093 -4.549 1.00 4.01 H new ATOM 0 HB VAL A 17 2.532 -7.468 -1.909 1.00 20.52 H new ATOM 0 HG11 VAL A 17 0.673 -5.931 -1.200 1.00 12.42 H new ATOM 0 HG12 VAL A 17 2.086 -5.021 -1.788 1.00 12.42 H new ATOM 0 HG13 VAL A 17 0.661 -5.226 -2.834 1.00 12.42 H new ATOM 0 HG21 VAL A 17 0.114 -8.104 -2.072 1.00 32.55 H new ATOM 0 HG22 VAL A 17 0.064 -7.437 -3.721 1.00 32.55 H new ATOM 0 HG23 VAL A 17 1.080 -8.855 -3.365 1.00 32.55 H new ATOM 254 N ALA A 18 5.026 -6.401 -2.986 1.00 34.33 N ATOM 255 CA ALA A 18 6.227 -5.654 -2.650 1.00 42.25 C ATOM 256 C ALA A 18 6.904 -5.008 -3.869 1.00 3.42 C ATOM 257 O ALA A 18 7.360 -3.866 -3.772 1.00 64.52 O ATOM 258 CB ALA A 18 7.228 -6.553 -1.922 1.00 73.21 C ATOM 0 H ALA A 18 5.056 -7.386 -2.723 1.00 34.33 H new ATOM 0 HA ALA A 18 5.907 -4.842 -1.997 1.00 42.25 H new ATOM 0 HB1 ALA A 18 8.122 -5.979 -1.677 1.00 73.21 H new ATOM 0 HB2 ALA A 18 6.777 -6.931 -1.004 1.00 73.21 H new ATOM 0 HB3 ALA A 18 7.499 -7.390 -2.565 1.00 73.21 H new ATOM 264 N GLU A 19 6.952 -5.693 -5.021 1.00 2.23 N ATOM 265 CA GLU A 19 7.541 -5.163 -6.258 1.00 12.31 C ATOM 266 C GLU A 19 6.897 -3.830 -6.648 1.00 64.34 C ATOM 267 O GLU A 19 7.540 -2.956 -7.240 1.00 20.52 O ATOM 268 CB GLU A 19 7.321 -6.108 -7.452 1.00 53.13 C ATOM 269 CG GLU A 19 7.981 -7.489 -7.486 1.00 62.53 C ATOM 270 CD GLU A 19 7.619 -8.136 -8.824 1.00 42.13 C ATOM 271 OE1 GLU A 19 6.444 -8.522 -9.034 1.00 11.20 O ATOM 272 OE2 GLU A 19 8.474 -8.185 -9.738 1.00 13.01 O ATOM 0 H GLU A 19 6.580 -6.638 -5.120 1.00 2.23 H new ATOM 0 HA GLU A 19 8.605 -5.048 -6.050 1.00 12.31 H new ATOM 0 HB2 GLU A 19 6.246 -6.264 -7.544 1.00 53.13 H new ATOM 0 HB3 GLU A 19 7.644 -5.576 -8.347 1.00 53.13 H new ATOM 0 HG2 GLU A 19 9.062 -7.400 -7.383 1.00 62.53 H new ATOM 0 HG3 GLU A 19 7.631 -8.102 -6.656 1.00 62.53 H new ATOM 279 N LYS A 20 5.597 -3.718 -6.389 1.00 35.40 N ATOM 280 CA LYS A 20 4.754 -2.603 -6.792 1.00 2.20 C ATOM 281 C LYS A 20 4.693 -1.525 -5.709 1.00 3.22 C ATOM 282 O LYS A 20 4.305 -0.398 -6.009 1.00 74.44 O ATOM 283 CB LYS A 20 3.362 -3.152 -7.150 1.00 54.32 C ATOM 284 CG LYS A 20 3.285 -3.694 -8.586 1.00 21.32 C ATOM 285 CD LYS A 20 4.090 -4.982 -8.809 1.00 0.41 C ATOM 286 CE LYS A 20 3.699 -5.744 -10.075 1.00 42.11 C ATOM 287 NZ LYS A 20 4.705 -6.762 -10.453 1.00 51.34 N ATOM 0 H LYS A 20 5.084 -4.432 -5.872 1.00 35.40 H new ATOM 0 HA LYS A 20 5.180 -2.115 -7.669 1.00 2.20 H new ATOM 0 HB2 LYS A 20 3.100 -3.947 -6.452 1.00 54.32 H new ATOM 0 HB3 LYS A 20 2.622 -2.362 -7.025 1.00 54.32 H new ATOM 0 HG2 LYS A 20 2.241 -3.882 -8.838 1.00 21.32 H new ATOM 0 HG3 LYS A 20 3.646 -2.928 -9.273 1.00 21.32 H new ATOM 0 HD2 LYS A 20 5.150 -4.733 -8.859 1.00 0.41 H new ATOM 0 HD3 LYS A 20 3.957 -5.636 -7.947 1.00 0.41 H new ATOM 0 HE2 LYS A 20 2.735 -6.229 -9.921 1.00 42.11 H new ATOM 0 HE3 LYS A 20 3.573 -5.039 -10.896 1.00 42.11 H new ATOM 0 HZ1 LYS A 20 4.249 -7.510 -11.013 1.00 51.34 H new ATOM 0 HZ2 LYS A 20 5.456 -6.315 -11.018 1.00 51.34 H new ATOM 0 HZ3 LYS A 20 5.119 -7.177 -9.594 1.00 51.34 H new ATOM 301 N LEU A 21 5.098 -1.836 -4.474 1.00 63.53 N ATOM 302 CA LEU A 21 5.263 -0.877 -3.385 1.00 41.41 C ATOM 303 C LEU A 21 6.563 -0.114 -3.501 1.00 13.13 C ATOM 304 O LEU A 21 6.589 1.065 -3.183 1.00 23.33 O ATOM 305 CB LEU A 21 5.253 -1.599 -2.023 1.00 55.22 C ATOM 306 CG LEU A 21 3.983 -1.290 -1.211 1.00 3.33 C ATOM 307 CD1 LEU A 21 3.264 -2.581 -0.837 1.00 41.23 C ATOM 308 CD2 LEU A 21 4.223 -0.515 0.063 1.00 55.11 C ATOM 0 H LEU A 21 5.326 -2.791 -4.199 1.00 63.53 H new ATOM 0 HA LEU A 21 4.429 -0.178 -3.454 1.00 41.41 H new ATOM 0 HB2 LEU A 21 5.327 -2.675 -2.183 1.00 55.22 H new ATOM 0 HB3 LEU A 21 6.131 -1.301 -1.449 1.00 55.22 H new ATOM 0 HG LEU A 21 3.382 -0.663 -1.869 1.00 3.33 H new ATOM 0 HD11 LEU A 21 2.368 -2.345 -0.263 1.00 41.23 H new ATOM 0 HD12 LEU A 21 2.984 -3.117 -1.744 1.00 41.23 H new ATOM 0 HD13 LEU A 21 3.926 -3.205 -0.236 1.00 41.23 H new ATOM 0 HD21 LEU A 21 3.273 -0.343 0.569 1.00 55.11 H new ATOM 0 HD22 LEU A 21 4.884 -1.085 0.716 1.00 55.11 H new ATOM 0 HD23 LEU A 21 4.686 0.443 -0.175 1.00 55.11 H new ATOM 320 N ASP A 22 7.637 -0.775 -3.914 1.00 3.42 N ATOM 321 CA ASP A 22 8.994 -0.221 -3.902 1.00 3.20 C ATOM 322 C ASP A 22 9.005 1.124 -4.623 1.00 61.43 C ATOM 323 O ASP A 22 9.428 2.139 -4.087 1.00 44.05 O ATOM 324 CB ASP A 22 9.958 -1.218 -4.559 1.00 40.23 C ATOM 325 CG ASP A 22 11.290 -0.571 -4.945 1.00 11.40 C ATOM 326 OD1 ASP A 22 11.958 -0.011 -4.051 1.00 53.33 O ATOM 327 OD2 ASP A 22 11.661 -0.660 -6.143 1.00 61.41 O ATOM 0 H ASP A 22 7.594 -1.728 -4.274 1.00 3.42 H new ATOM 0 HA ASP A 22 9.322 -0.056 -2.876 1.00 3.20 H new ATOM 0 HB2 ASP A 22 10.144 -2.045 -3.874 1.00 40.23 H new ATOM 0 HB3 ASP A 22 9.490 -1.640 -5.449 1.00 40.23 H new ATOM 332 N GLU A 23 8.403 1.144 -5.805 1.00 11.40 N ATOM 333 CA GLU A 23 8.252 2.287 -6.694 1.00 40.23 C ATOM 334 C GLU A 23 7.385 3.427 -6.146 1.00 60.44 C ATOM 335 O GLU A 23 7.265 4.474 -6.784 1.00 52.05 O ATOM 336 CB GLU A 23 7.636 1.723 -7.975 1.00 0.20 C ATOM 337 CG GLU A 23 8.701 0.956 -8.768 1.00 52.12 C ATOM 338 CD GLU A 23 8.382 0.921 -10.263 1.00 20.52 C ATOM 339 OE1 GLU A 23 7.244 0.536 -10.621 1.00 4.03 O ATOM 340 OE2 GLU A 23 9.276 1.235 -11.078 1.00 75.11 O ATOM 0 H GLU A 23 7.978 0.303 -6.194 1.00 11.40 H new ATOM 0 HA GLU A 23 9.228 2.750 -6.841 1.00 40.23 H new ATOM 0 HB2 GLU A 23 6.805 1.061 -7.730 1.00 0.20 H new ATOM 0 HB3 GLU A 23 7.230 2.533 -8.582 1.00 0.20 H new ATOM 0 HG2 GLU A 23 9.674 1.423 -8.615 1.00 52.12 H new ATOM 0 HG3 GLU A 23 8.773 -0.063 -8.388 1.00 52.12 H new ATOM 347 N ILE A 24 6.763 3.256 -4.985 1.00 40.42 N ATOM 348 CA ILE A 24 6.011 4.300 -4.289 1.00 51.15 C ATOM 349 C ILE A 24 6.948 5.054 -3.323 1.00 64.22 C ATOM 350 O ILE A 24 6.611 6.139 -2.848 1.00 62.22 O ATOM 351 CB ILE A 24 4.753 3.690 -3.614 1.00 53.01 C ATOM 352 CG1 ILE A 24 4.092 2.642 -4.541 1.00 52.35 C ATOM 353 CG2 ILE A 24 3.713 4.784 -3.321 1.00 0.33 C ATOM 354 CD1 ILE A 24 2.765 2.048 -4.081 1.00 75.41 C ATOM 0 H ILE A 24 6.766 2.366 -4.487 1.00 40.42 H new ATOM 0 HA ILE A 24 5.637 5.043 -4.993 1.00 51.15 H new ATOM 0 HB ILE A 24 5.076 3.220 -2.685 1.00 53.01 H new ATOM 0 HG12 ILE A 24 3.936 3.103 -5.516 1.00 52.35 H new ATOM 0 HG13 ILE A 24 4.798 1.824 -4.684 1.00 52.35 H new ATOM 0 HG21 ILE A 24 2.838 4.337 -2.848 1.00 0.33 H new ATOM 0 HG22 ILE A 24 4.146 5.528 -2.653 1.00 0.33 H new ATOM 0 HG23 ILE A 24 3.416 5.263 -4.254 1.00 0.33 H new ATOM 0 HD11 ILE A 24 2.412 1.329 -4.821 1.00 75.41 H new ATOM 0 HD12 ILE A 24 2.904 1.545 -3.124 1.00 75.41 H new ATOM 0 HD13 ILE A 24 2.029 2.844 -3.969 1.00 75.41 H new ATOM 366 N TYR A 25 8.163 4.544 -3.096 1.00 40.05 N ATOM 367 CA TYR A 25 9.159 5.108 -2.180 1.00 42.05 C ATOM 368 C TYR A 25 10.377 5.726 -2.886 1.00 35.12 C ATOM 369 O TYR A 25 11.309 6.166 -2.212 1.00 52.21 O ATOM 370 CB TYR A 25 9.562 4.032 -1.172 1.00 72.43 C ATOM 371 CG TYR A 25 8.372 3.494 -0.411 1.00 23.51 C ATOM 372 CD1 TYR A 25 7.717 4.316 0.518 1.00 60.41 C ATOM 373 CD2 TYR A 25 7.836 2.237 -0.733 1.00 3.12 C ATOM 374 CE1 TYR A 25 6.548 3.876 1.156 1.00 32.32 C ATOM 375 CE2 TYR A 25 6.630 1.815 -0.153 1.00 71.22 C ATOM 376 CZ TYR A 25 6.006 2.616 0.834 1.00 63.24 C ATOM 377 OH TYR A 25 4.882 2.199 1.473 1.00 74.14 O ATOM 0 H TYR A 25 8.491 3.698 -3.561 1.00 40.05 H new ATOM 0 HA TYR A 25 8.698 5.948 -1.661 1.00 42.05 H new ATOM 0 HB2 TYR A 25 10.058 3.214 -1.694 1.00 72.43 H new ATOM 0 HB3 TYR A 25 10.285 4.446 -0.469 1.00 72.43 H new ATOM 0 HD1 TYR A 25 8.115 5.294 0.743 1.00 60.41 H new ATOM 0 HD2 TYR A 25 8.353 1.593 -1.429 1.00 3.12 H new ATOM 0 HE1 TYR A 25 6.065 4.501 1.892 1.00 32.32 H new ATOM 0 HE2 TYR A 25 6.179 0.882 -0.458 1.00 71.22 H new ATOM 0 HH TYR A 25 5.069 1.366 1.954 1.00 74.14 H new ATOM 387 N VAL A 26 10.367 5.814 -4.220 1.00 43.04 N ATOM 388 CA VAL A 26 11.507 6.253 -5.041 1.00 73.33 C ATOM 389 C VAL A 26 11.165 7.502 -5.874 1.00 34.34 C ATOM 390 O VAL A 26 12.026 8.053 -6.555 1.00 33.33 O ATOM 391 CB VAL A 26 11.926 5.076 -5.949 1.00 72.43 C ATOM 392 CG1 VAL A 26 13.210 5.302 -6.763 1.00 35.31 C ATOM 393 CG2 VAL A 26 12.189 3.791 -5.152 1.00 64.13 C ATOM 0 H VAL A 26 9.546 5.576 -4.776 1.00 43.04 H new ATOM 0 HA VAL A 26 12.334 6.537 -4.390 1.00 73.33 H new ATOM 0 HB VAL A 26 11.071 4.992 -6.620 1.00 72.43 H new ATOM 0 HG11 VAL A 26 13.418 4.419 -7.367 1.00 35.31 H new ATOM 0 HG12 VAL A 26 13.080 6.166 -7.415 1.00 35.31 H new ATOM 0 HG13 VAL A 26 14.044 5.482 -6.085 1.00 35.31 H new ATOM 0 HG21 VAL A 26 12.480 2.993 -5.835 1.00 64.13 H new ATOM 0 HG22 VAL A 26 12.991 3.966 -4.434 1.00 64.13 H new ATOM 0 HG23 VAL A 26 11.283 3.501 -4.620 1.00 64.13 H new ATOM 403 N ALA A 27 9.915 7.964 -5.869 1.00 40.23 N ATOM 404 CA ALA A 27 9.440 9.042 -6.739 1.00 12.22 C ATOM 405 C ALA A 27 9.151 10.333 -5.962 1.00 3.01 C ATOM 406 O ALA A 27 8.610 11.288 -6.520 1.00 13.01 O ATOM 407 CB ALA A 27 8.218 8.535 -7.501 1.00 74.11 C ATOM 0 H ALA A 27 9.192 7.595 -5.251 1.00 40.23 H new ATOM 0 HA ALA A 27 10.223 9.309 -7.448 1.00 12.22 H new ATOM 0 HB1 ALA A 27 7.846 9.322 -8.157 1.00 74.11 H new ATOM 0 HB2 ALA A 27 8.496 7.667 -8.098 1.00 74.11 H new ATOM 0 HB3 ALA A 27 7.438 8.254 -6.793 1.00 74.11 H new ATOM 413 N GLY A 28 9.477 10.360 -4.670 1.00 0.14 N ATOM 414 CA GLY A 28 9.181 11.472 -3.773 1.00 31.23 C ATOM 415 C GLY A 28 7.716 11.533 -3.335 1.00 22.21 C ATOM 416 O GLY A 28 7.298 12.544 -2.765 1.00 5.13 O ATOM 0 H GLY A 28 9.965 9.592 -4.210 1.00 0.14 H new ATOM 0 HA2 GLY A 28 9.813 11.392 -2.888 1.00 31.23 H new ATOM 0 HA3 GLY A 28 9.443 12.407 -4.268 1.00 31.23 H new ATOM 420 N LEU A 29 6.942 10.472 -3.582 1.00 62.14 N ATOM 421 CA LEU A 29 5.525 10.334 -3.259 1.00 53.21 C ATOM 422 C LEU A 29 5.361 10.103 -1.758 1.00 62.14 C ATOM 423 O LEU A 29 4.842 10.979 -1.063 1.00 65.54 O ATOM 424 CB LEU A 29 4.902 9.184 -4.068 1.00 51.22 C ATOM 425 CG LEU A 29 4.946 9.402 -5.594 1.00 14.04 C ATOM 426 CD1 LEU A 29 4.577 8.090 -6.291 1.00 13.44 C ATOM 427 CD2 LEU A 29 4.014 10.523 -6.058 1.00 73.15 C ATOM 0 H LEU A 29 7.313 9.639 -4.040 1.00 62.14 H new ATOM 0 HA LEU A 29 5.002 11.252 -3.528 1.00 53.21 H new ATOM 0 HB2 LEU A 29 5.424 8.258 -3.827 1.00 51.22 H new ATOM 0 HB3 LEU A 29 3.865 9.055 -3.759 1.00 51.22 H new ATOM 0 HG LEU A 29 5.958 9.708 -5.860 1.00 14.04 H new ATOM 0 HD11 LEU A 29 4.605 8.232 -7.371 1.00 13.44 H new ATOM 0 HD12 LEU A 29 5.289 7.315 -6.008 1.00 13.44 H new ATOM 0 HD13 LEU A 29 3.574 7.788 -5.990 1.00 13.44 H new ATOM 0 HD21 LEU A 29 4.086 10.632 -7.140 1.00 73.15 H new ATOM 0 HD22 LEU A 29 2.987 10.279 -5.786 1.00 73.15 H new ATOM 0 HD23 LEU A 29 4.304 11.458 -5.579 1.00 73.15 H new ATOM 439 N VAL A 30 5.849 8.975 -1.225 1.00 32.11 N ATOM 440 CA VAL A 30 5.901 8.768 0.236 1.00 34.42 C ATOM 441 C VAL A 30 7.273 8.308 0.747 1.00 34.12 C ATOM 442 O VAL A 30 8.058 7.725 -0.003 1.00 20.32 O ATOM 443 CB VAL A 30 4.771 7.823 0.706 1.00 13.10 C ATOM 444 CG1 VAL A 30 3.416 8.536 0.673 1.00 4.31 C ATOM 445 CG2 VAL A 30 4.644 6.545 -0.127 1.00 75.44 C ATOM 0 H VAL A 30 6.211 8.196 -1.774 1.00 32.11 H new ATOM 0 HA VAL A 30 5.738 9.748 0.684 1.00 34.42 H new ATOM 0 HB VAL A 30 5.048 7.541 1.722 1.00 13.10 H new ATOM 0 HG11 VAL A 30 2.636 7.852 1.008 1.00 4.31 H new ATOM 0 HG12 VAL A 30 3.445 9.403 1.333 1.00 4.31 H new ATOM 0 HG13 VAL A 30 3.201 8.861 -0.345 1.00 4.31 H new ATOM 0 HG21 VAL A 30 3.830 5.935 0.265 1.00 75.44 H new ATOM 0 HG22 VAL A 30 4.435 6.806 -1.164 1.00 75.44 H new ATOM 0 HG23 VAL A 30 5.576 5.983 -0.075 1.00 75.44 H new ATOM 455 N ALA A 31 7.534 8.558 2.040 1.00 70.55 N ATOM 456 CA ALA A 31 8.572 7.909 2.840 1.00 43.41 C ATOM 457 C ALA A 31 8.141 6.495 3.201 1.00 12.30 C ATOM 458 O ALA A 31 6.955 6.246 3.426 1.00 61.11 O ATOM 459 CB ALA A 31 8.790 8.678 4.149 1.00 34.52 C ATOM 0 H ALA A 31 7.003 9.247 2.573 1.00 70.55 H new ATOM 0 HA ALA A 31 9.490 7.892 2.253 1.00 43.41 H new ATOM 0 HB1 ALA A 31 9.565 8.185 4.736 1.00 34.52 H new ATOM 0 HB2 ALA A 31 9.099 9.699 3.924 1.00 34.52 H new ATOM 0 HB3 ALA A 31 7.861 8.697 4.719 1.00 34.52 H new ATOM 465 N HIS A 32 9.121 5.601 3.352 1.00 54.21 N ATOM 466 CA HIS A 32 8.901 4.227 3.792 1.00 61.11 C ATOM 467 C HIS A 32 8.170 4.193 5.131 1.00 5.04 C ATOM 468 O HIS A 32 7.175 3.486 5.264 1.00 21.14 O ATOM 469 CB HIS A 32 10.221 3.440 3.836 1.00 12.11 C ATOM 470 CG HIS A 32 11.328 4.025 4.681 1.00 42.43 C ATOM 471 ND1 HIS A 32 12.088 5.117 4.365 1.00 43.02 N flip ATOM 472 CD2 HIS A 32 11.829 3.497 5.851 1.00 53.11 C flip ATOM 473 CE1 HIS A 32 13.066 5.267 5.354 1.00 1.24 C flip ATOM 474 NE2 HIS A 32 12.875 4.254 6.224 1.00 51.13 N flip ATOM 0 H HIS A 32 10.101 5.817 3.169 1.00 54.21 H new ATOM 0 HA HIS A 32 8.260 3.735 3.061 1.00 61.11 H new ATOM 0 HB2 HIS A 32 10.007 2.436 4.202 1.00 12.11 H new ATOM 0 HB3 HIS A 32 10.590 3.336 2.816 1.00 12.11 H new ATOM 0 HD2 HIS A 32 11.450 2.631 6.374 1.00 53.11 H new ATOM 0 HE1 HIS A 32 13.821 6.037 5.410 1.00 1.24 H new ATOM 0 HE2 HIS A 32 13.446 4.086 7.052 1.00 51.13 H new ATOM 482 N SER A 33 8.630 4.984 6.103 1.00 70.44 N ATOM 483 CA SER A 33 8.125 4.932 7.473 1.00 45.14 C ATOM 484 C SER A 33 6.845 5.767 7.657 1.00 24.44 C ATOM 485 O SER A 33 6.354 5.882 8.783 1.00 43.24 O ATOM 486 CB SER A 33 9.258 5.346 8.430 1.00 34.51 C ATOM 487 OG SER A 33 8.966 5.000 9.775 1.00 62.35 O ATOM 0 H SER A 33 9.363 5.678 5.960 1.00 70.44 H new ATOM 0 HA SER A 33 7.824 3.912 7.710 1.00 45.14 H new ATOM 0 HB2 SER A 33 10.186 4.864 8.124 1.00 34.51 H new ATOM 0 HB3 SER A 33 9.419 6.422 8.358 1.00 34.51 H new ATOM 0 HG SER A 33 8.019 5.173 9.959 1.00 62.35 H new ATOM 493 N ASP A 34 6.291 6.381 6.601 1.00 31.44 N ATOM 494 CA ASP A 34 5.147 7.281 6.784 1.00 72.15 C ATOM 495 C ASP A 34 3.895 6.528 7.233 1.00 41.42 C ATOM 496 O ASP A 34 3.024 7.084 7.903 1.00 64.23 O ATOM 497 CB ASP A 34 4.813 8.053 5.503 1.00 4.22 C ATOM 498 CG ASP A 34 4.237 9.411 5.886 1.00 53.03 C ATOM 499 OD1 ASP A 34 3.025 9.508 6.168 1.00 4.44 O ATOM 500 OD2 ASP A 34 5.027 10.382 5.915 1.00 32.21 O ATOM 0 H ASP A 34 6.607 6.275 5.637 1.00 31.44 H new ATOM 0 HA ASP A 34 5.447 7.983 7.562 1.00 72.15 H new ATOM 0 HB2 ASP A 34 5.708 8.180 4.895 1.00 4.22 H new ATOM 0 HB3 ASP A 34 4.096 7.495 4.902 1.00 4.22 H new ATOM 505 N LEU A 35 3.793 5.256 6.848 1.00 61.33 N ATOM 506 CA LEU A 35 2.641 4.431 7.140 1.00 22.50 C ATOM 507 C LEU A 35 2.601 4.131 8.637 1.00 24.54 C ATOM 508 O LEU A 35 3.636 4.133 9.305 1.00 71.44 O ATOM 509 CB LEU A 35 2.678 3.153 6.282 1.00 1.00 C ATOM 510 CG LEU A 35 2.502 3.354 4.761 1.00 53.03 C ATOM 511 CD1 LEU A 35 1.264 4.195 4.426 1.00 74.52 C ATOM 512 CD2 LEU A 35 3.714 3.953 4.030 1.00 35.53 C ATOM 0 H LEU A 35 4.520 4.773 6.320 1.00 61.33 H new ATOM 0 HA LEU A 35 1.722 4.959 6.884 1.00 22.50 H new ATOM 0 HB2 LEU A 35 3.630 2.651 6.454 1.00 1.00 H new ATOM 0 HB3 LEU A 35 1.895 2.481 6.633 1.00 1.00 H new ATOM 0 HG LEU A 35 2.382 2.335 4.394 1.00 53.03 H new ATOM 0 HD11 LEU A 35 1.183 4.309 3.345 1.00 74.52 H new ATOM 0 HD12 LEU A 35 0.372 3.697 4.806 1.00 74.52 H new ATOM 0 HD13 LEU A 35 1.356 5.178 4.888 1.00 74.52 H new ATOM 0 HD21 LEU A 35 3.486 4.053 2.969 1.00 35.53 H new ATOM 0 HD22 LEU A 35 3.941 4.935 4.446 1.00 35.53 H new ATOM 0 HD23 LEU A 35 4.576 3.297 4.156 1.00 35.53 H new ATOM 524 N ASP A 36 1.412 3.844 9.162 1.00 63.12 N ATOM 525 CA ASP A 36 1.195 3.561 10.579 1.00 74.10 C ATOM 526 C ASP A 36 0.820 2.097 10.723 1.00 54.40 C ATOM 527 O ASP A 36 0.428 1.462 9.740 1.00 13.32 O ATOM 528 CB ASP A 36 0.065 4.413 11.171 1.00 12.25 C ATOM 529 CG ASP A 36 0.261 5.903 10.961 1.00 21.21 C ATOM 530 OD1 ASP A 36 1.212 6.495 11.506 1.00 24.31 O ATOM 531 OD2 ASP A 36 -0.565 6.492 10.235 1.00 53.23 O ATOM 0 H ASP A 36 0.558 3.801 8.606 1.00 63.12 H new ATOM 0 HA ASP A 36 2.113 3.798 11.117 1.00 74.10 H new ATOM 0 HB2 ASP A 36 -0.881 4.112 10.722 1.00 12.25 H new ATOM 0 HB3 ASP A 36 -0.011 4.211 12.239 1.00 12.25 H new ATOM 536 N GLU A 37 0.841 1.581 11.952 1.00 14.01 N ATOM 537 CA GLU A 37 0.601 0.167 12.226 1.00 53.32 C ATOM 538 C GLU A 37 -0.723 -0.324 11.632 1.00 34.05 C ATOM 539 O GLU A 37 -0.772 -1.430 11.099 1.00 34.15 O ATOM 540 CB GLU A 37 0.641 -0.098 13.738 1.00 10.11 C ATOM 541 CG GLU A 37 1.103 -1.530 14.037 1.00 61.54 C ATOM 542 CD GLU A 37 2.589 -1.710 13.711 1.00 1.05 C ATOM 543 OE1 GLU A 37 3.412 -0.919 14.240 1.00 72.34 O ATOM 544 OE2 GLU A 37 2.934 -2.598 12.904 1.00 44.21 O ATOM 0 H GLU A 37 1.026 2.136 12.788 1.00 14.01 H new ATOM 0 HA GLU A 37 1.399 -0.396 11.741 1.00 53.32 H new ATOM 0 HB2 GLU A 37 1.315 0.612 14.217 1.00 10.11 H new ATOM 0 HB3 GLU A 37 -0.349 0.064 14.165 1.00 10.11 H new ATOM 0 HG2 GLU A 37 0.928 -1.760 15.088 1.00 61.54 H new ATOM 0 HG3 GLU A 37 0.512 -2.235 13.453 1.00 61.54 H new ATOM 551 N ARG A 38 -1.776 0.507 11.655 1.00 71.22 N ATOM 552 CA ARG A 38 -3.064 0.156 11.053 1.00 54.20 C ATOM 553 C ARG A 38 -2.916 -0.239 9.586 1.00 44.51 C ATOM 554 O ARG A 38 -3.590 -1.156 9.133 1.00 73.00 O ATOM 555 CB ARG A 38 -4.081 1.307 11.182 1.00 4.34 C ATOM 556 CG ARG A 38 -4.508 1.617 12.628 1.00 5.23 C ATOM 557 CD ARG A 38 -6.010 1.444 12.877 1.00 54.50 C ATOM 558 NE ARG A 38 -6.416 0.032 12.834 1.00 53.12 N ATOM 559 CZ ARG A 38 -7.675 -0.410 12.729 1.00 42.52 C ATOM 560 NH1 ARG A 38 -8.705 0.426 12.713 1.00 71.13 N ATOM 561 NH2 ARG A 38 -7.938 -1.702 12.583 1.00 52.22 N ATOM 0 H ARG A 38 -1.757 1.431 12.087 1.00 71.22 H new ATOM 0 HA ARG A 38 -3.439 -0.706 11.605 1.00 54.20 H new ATOM 0 HB2 ARG A 38 -3.651 2.207 10.742 1.00 4.34 H new ATOM 0 HB3 ARG A 38 -4.968 1.059 10.599 1.00 4.34 H new ATOM 0 HG2 ARG A 38 -3.959 0.965 13.307 1.00 5.23 H new ATOM 0 HG3 ARG A 38 -4.224 2.641 12.870 1.00 5.23 H new ATOM 0 HD2 ARG A 38 -6.267 1.866 13.849 1.00 54.50 H new ATOM 0 HD3 ARG A 38 -6.569 2.005 12.128 1.00 54.50 H new ATOM 0 HE ARG A 38 -5.677 -0.669 12.889 1.00 53.12 H new ATOM 0 HH11 ARG A 38 -8.547 1.431 12.782 1.00 71.13 H new ATOM 0 HH12 ARG A 38 -9.655 0.063 12.632 1.00 71.13 H new ATOM 0 HH21 ARG A 38 -7.174 -2.377 12.549 1.00 52.22 H new ATOM 0 HH22 ARG A 38 -8.904 -2.020 12.505 1.00 52.22 H new ATOM 575 N ALA A 39 -2.058 0.457 8.838 1.00 55.24 N ATOM 576 CA ALA A 39 -1.793 0.147 7.442 1.00 53.54 C ATOM 577 C ALA A 39 -0.954 -1.125 7.314 1.00 61.34 C ATOM 578 O ALA A 39 -1.198 -1.908 6.402 1.00 61.43 O ATOM 579 CB ALA A 39 -1.088 1.329 6.766 1.00 55.20 C ATOM 0 H ALA A 39 -1.528 1.254 9.190 1.00 55.24 H new ATOM 0 HA ALA A 39 -2.745 -0.028 6.941 1.00 53.54 H new ATOM 0 HB1 ALA A 39 -0.894 1.087 5.721 1.00 55.20 H new ATOM 0 HB2 ALA A 39 -1.724 2.212 6.822 1.00 55.20 H new ATOM 0 HB3 ALA A 39 -0.144 1.529 7.274 1.00 55.20 H new ATOM 585 N ILE A 40 0.034 -1.340 8.189 1.00 60.13 N ATOM 586 CA ILE A 40 0.884 -2.534 8.154 1.00 53.04 C ATOM 587 C ILE A 40 0.013 -3.774 8.393 1.00 63.43 C ATOM 588 O ILE A 40 0.139 -4.767 7.672 1.00 22.44 O ATOM 589 CB ILE A 40 2.023 -2.422 9.203 1.00 34.55 C ATOM 590 CG1 ILE A 40 2.799 -1.088 9.155 1.00 51.23 C ATOM 591 CG2 ILE A 40 3.028 -3.585 9.109 1.00 15.33 C ATOM 592 CD1 ILE A 40 3.350 -0.687 7.782 1.00 32.32 C ATOM 0 H ILE A 40 0.267 -0.691 8.941 1.00 60.13 H new ATOM 0 HA ILE A 40 1.357 -2.623 7.176 1.00 53.04 H new ATOM 0 HB ILE A 40 1.499 -2.468 10.158 1.00 34.55 H new ATOM 0 HG12 ILE A 40 2.141 -0.294 9.508 1.00 51.23 H new ATOM 0 HG13 ILE A 40 3.631 -1.148 9.856 1.00 51.23 H new ATOM 0 HG21 ILE A 40 3.803 -3.458 9.864 1.00 15.33 H new ATOM 0 HG22 ILE A 40 2.509 -4.529 9.277 1.00 15.33 H new ATOM 0 HG23 ILE A 40 3.484 -3.593 8.119 1.00 15.33 H new ATOM 0 HD11 ILE A 40 3.876 0.264 7.865 1.00 32.32 H new ATOM 0 HD12 ILE A 40 4.040 -1.454 7.429 1.00 32.32 H new ATOM 0 HD13 ILE A 40 2.527 -0.586 7.075 1.00 32.32 H new ATOM 604 N GLU A 41 -0.863 -3.710 9.394 1.00 20.43 N ATOM 605 CA GLU A 41 -1.849 -4.722 9.727 1.00 22.22 C ATOM 606 C GLU A 41 -2.803 -4.937 8.556 1.00 24.05 C ATOM 607 O GLU A 41 -2.914 -6.066 8.085 1.00 61.44 O ATOM 608 CB GLU A 41 -2.584 -4.269 11.001 1.00 20.35 C ATOM 609 CG GLU A 41 -3.613 -5.278 11.522 1.00 40.32 C ATOM 610 CD GLU A 41 -2.947 -6.528 12.088 1.00 71.03 C ATOM 611 OE1 GLU A 41 -2.413 -6.474 13.222 1.00 24.22 O ATOM 612 OE2 GLU A 41 -2.925 -7.588 11.419 1.00 64.12 O ATOM 0 H GLU A 41 -0.902 -2.908 10.023 1.00 20.43 H new ATOM 0 HA GLU A 41 -1.371 -5.683 9.918 1.00 22.22 H new ATOM 0 HB2 GLU A 41 -1.849 -4.079 11.783 1.00 20.35 H new ATOM 0 HB3 GLU A 41 -3.088 -3.323 10.800 1.00 20.35 H new ATOM 0 HG2 GLU A 41 -4.222 -4.809 12.295 1.00 40.32 H new ATOM 0 HG3 GLU A 41 -4.287 -5.560 10.713 1.00 40.32 H new ATOM 619 N ALA A 42 -3.459 -3.873 8.076 1.00 33.41 N ATOM 620 CA ALA A 42 -4.433 -3.966 6.998 1.00 55.44 C ATOM 621 C ALA A 42 -3.816 -4.596 5.749 1.00 32.21 C ATOM 622 O ALA A 42 -4.459 -5.433 5.121 1.00 0.31 O ATOM 623 CB ALA A 42 -5.019 -2.586 6.688 1.00 61.21 C ATOM 0 H ALA A 42 -3.324 -2.926 8.429 1.00 33.41 H new ATOM 0 HA ALA A 42 -5.244 -4.616 7.326 1.00 55.44 H new ATOM 0 HB1 ALA A 42 -5.745 -2.672 5.880 1.00 61.21 H new ATOM 0 HB2 ALA A 42 -5.511 -2.191 7.577 1.00 61.21 H new ATOM 0 HB3 ALA A 42 -4.219 -1.910 6.386 1.00 61.21 H new ATOM 629 N LEU A 43 -2.571 -4.243 5.410 1.00 11.54 N ATOM 630 CA LEU A 43 -1.811 -4.855 4.325 1.00 73.24 C ATOM 631 C LEU A 43 -1.682 -6.362 4.541 1.00 54.32 C ATOM 632 O LEU A 43 -2.061 -7.124 3.647 1.00 72.12 O ATOM 633 CB LEU A 43 -0.443 -4.161 4.165 1.00 60.30 C ATOM 634 CG LEU A 43 -0.520 -2.860 3.344 1.00 63.21 C ATOM 635 CD1 LEU A 43 0.827 -2.131 3.395 1.00 61.41 C ATOM 636 CD2 LEU A 43 -0.939 -3.052 1.872 1.00 21.43 C ATOM 0 H LEU A 43 -2.057 -3.508 5.895 1.00 11.54 H new ATOM 0 HA LEU A 43 -2.351 -4.715 3.389 1.00 73.24 H new ATOM 0 HB2 LEU A 43 -0.038 -3.938 5.152 1.00 60.30 H new ATOM 0 HB3 LEU A 43 0.252 -4.848 3.683 1.00 60.30 H new ATOM 0 HG LEU A 43 -1.308 -2.268 3.809 1.00 63.21 H new ATOM 0 HD11 LEU A 43 0.766 -1.212 2.812 1.00 61.41 H new ATOM 0 HD12 LEU A 43 1.071 -1.889 4.429 1.00 61.41 H new ATOM 0 HD13 LEU A 43 1.604 -2.773 2.979 1.00 61.41 H new ATOM 0 HD21 LEU A 43 -0.966 -2.084 1.372 1.00 21.43 H new ATOM 0 HD22 LEU A 43 -0.220 -3.699 1.370 1.00 21.43 H new ATOM 0 HD23 LEU A 43 -1.928 -3.509 1.832 1.00 21.43 H new ATOM 648 N LYS A 44 -1.213 -6.800 5.717 1.00 41.44 N ATOM 649 CA LYS A 44 -1.207 -8.205 6.112 1.00 15.32 C ATOM 650 C LYS A 44 -2.586 -8.882 6.003 1.00 31.32 C ATOM 651 O LYS A 44 -2.615 -10.111 5.957 1.00 54.11 O ATOM 652 CB LYS A 44 -0.628 -8.349 7.543 1.00 62.41 C ATOM 653 CG LYS A 44 0.745 -9.046 7.585 1.00 2.02 C ATOM 654 CD LYS A 44 1.928 -8.142 7.216 1.00 44.40 C ATOM 655 CE LYS A 44 2.479 -7.283 8.361 1.00 22.55 C ATOM 656 NZ LYS A 44 3.339 -8.007 9.322 1.00 63.32 N ATOM 0 H LYS A 44 -0.824 -6.177 6.425 1.00 41.44 H new ATOM 0 HA LYS A 44 -0.566 -8.729 5.403 1.00 15.32 H new ATOM 0 HB2 LYS A 44 -0.538 -7.359 7.991 1.00 62.41 H new ATOM 0 HB3 LYS A 44 -1.331 -8.913 8.156 1.00 62.41 H new ATOM 0 HG2 LYS A 44 0.906 -9.443 8.587 1.00 2.02 H new ATOM 0 HG3 LYS A 44 0.728 -9.897 6.904 1.00 2.02 H new ATOM 0 HD2 LYS A 44 2.735 -8.766 6.831 1.00 44.40 H new ATOM 0 HD3 LYS A 44 1.621 -7.482 6.404 1.00 44.40 H new ATOM 0 HE2 LYS A 44 3.049 -6.458 7.935 1.00 22.55 H new ATOM 0 HE3 LYS A 44 1.641 -6.845 8.903 1.00 22.55 H new ATOM 0 HZ1 LYS A 44 3.268 -7.559 10.258 1.00 63.32 H new ATOM 0 HZ2 LYS A 44 3.029 -8.997 9.388 1.00 63.32 H new ATOM 0 HZ3 LYS A 44 4.326 -7.975 8.997 1.00 63.32 H new ATOM 670 N GLU A 45 -3.721 -8.172 5.950 1.00 22.43 N ATOM 671 CA GLU A 45 -5.032 -8.821 5.852 1.00 13.13 C ATOM 672 C GLU A 45 -5.485 -9.152 4.419 1.00 35.21 C ATOM 673 O GLU A 45 -6.568 -9.729 4.268 1.00 15.51 O ATOM 674 CB GLU A 45 -6.164 -7.955 6.417 1.00 34.41 C ATOM 675 CG GLU A 45 -6.170 -7.382 7.829 1.00 60.21 C ATOM 676 CD GLU A 45 -7.394 -6.461 8.001 1.00 24.31 C ATOM 677 OE1 GLU A 45 -8.445 -6.708 7.346 1.00 1.14 O ATOM 678 OE2 GLU A 45 -7.342 -5.500 8.800 1.00 52.50 O ATOM 0 H GLU A 45 -3.756 -7.153 5.973 1.00 22.43 H new ATOM 0 HA GLU A 45 -4.872 -9.735 6.424 1.00 13.13 H new ATOM 0 HB2 GLU A 45 -6.264 -7.105 5.742 1.00 34.41 H new ATOM 0 HB3 GLU A 45 -7.076 -8.545 6.323 1.00 34.41 H new ATOM 0 HG2 GLU A 45 -6.202 -8.189 8.561 1.00 60.21 H new ATOM 0 HG3 GLU A 45 -5.252 -6.823 8.011 1.00 60.21 H new ATOM 685 N PHE A 46 -4.780 -8.728 3.371 1.00 15.51 N ATOM 686 CA PHE A 46 -5.229 -8.908 1.988 1.00 13.53 C ATOM 687 C PHE A 46 -4.717 -10.237 1.413 1.00 22.25 C ATOM 688 O PHE A 46 -4.114 -11.056 2.110 1.00 61.21 O ATOM 689 CB PHE A 46 -4.885 -7.654 1.162 1.00 41.44 C ATOM 690 CG PHE A 46 -5.981 -6.598 1.203 1.00 14.11 C ATOM 691 CD1 PHE A 46 -7.093 -6.696 0.343 1.00 22.34 C ATOM 692 CD2 PHE A 46 -5.922 -5.537 2.125 1.00 32.31 C ATOM 693 CE1 PHE A 46 -8.141 -5.761 0.427 1.00 42.30 C ATOM 694 CE2 PHE A 46 -6.977 -4.609 2.216 1.00 34.31 C ATOM 695 CZ PHE A 46 -8.097 -4.720 1.371 1.00 74.11 C ATOM 0 H PHE A 46 -3.883 -8.251 3.455 1.00 15.51 H new ATOM 0 HA PHE A 46 -6.314 -8.998 1.946 1.00 13.53 H new ATOM 0 HB2 PHE A 46 -3.957 -7.222 1.536 1.00 41.44 H new ATOM 0 HB3 PHE A 46 -4.706 -7.945 0.127 1.00 41.44 H new ATOM 0 HD1 PHE A 46 -7.141 -7.493 -0.384 1.00 22.34 H new ATOM 0 HD2 PHE A 46 -5.061 -5.433 2.768 1.00 32.31 H new ATOM 0 HE1 PHE A 46 -8.987 -5.844 -0.240 1.00 42.30 H new ATOM 0 HE2 PHE A 46 -6.926 -3.808 2.938 1.00 34.31 H new ATOM 0 HZ PHE A 46 -8.912 -4.015 1.447 1.00 74.11 H new ATOM 705 N ASN A 47 -5.021 -10.478 0.140 1.00 24.43 N ATOM 706 CA ASN A 47 -4.356 -11.464 -0.707 1.00 0.43 C ATOM 707 C ASN A 47 -3.454 -10.744 -1.684 1.00 11.53 C ATOM 708 O ASN A 47 -3.499 -9.522 -1.796 1.00 31.24 O ATOM 709 CB ASN A 47 -5.346 -12.333 -1.491 1.00 62.42 C ATOM 710 CG ASN A 47 -6.217 -11.584 -2.486 1.00 61.13 C ATOM 711 OD1 ASN A 47 -5.983 -11.739 -3.774 1.00 42.43 O flip ATOM 712 ND2 ASN A 47 -7.149 -10.886 -2.099 1.00 0.24 N flip ATOM 0 H ASN A 47 -5.763 -9.975 -0.347 1.00 24.43 H new ATOM 0 HA ASN A 47 -3.785 -12.125 -0.054 1.00 0.43 H new ATOM 0 HB2 ASN A 47 -4.787 -13.100 -2.027 1.00 62.42 H new ATOM 0 HB3 ASN A 47 -5.993 -12.848 -0.782 1.00 62.42 H new ATOM 0 HD21 ASN A 47 -7.321 -10.773 -1.100 1.00 0.24 H new ATOM 0 HD22 ASN A 47 -7.752 -10.419 -2.776 1.00 0.24 H new ATOM 719 N GLU A 48 -2.686 -11.529 -2.426 1.00 24.14 N ATOM 720 CA GLU A 48 -1.692 -11.092 -3.378 1.00 13.25 C ATOM 721 C GLU A 48 -2.291 -10.119 -4.393 1.00 61.00 C ATOM 722 O GLU A 48 -2.014 -8.927 -4.348 1.00 23.21 O ATOM 723 CB GLU A 48 -1.096 -12.355 -4.023 1.00 40.14 C ATOM 724 CG GLU A 48 0.315 -12.084 -4.501 1.00 41.44 C ATOM 725 CD GLU A 48 1.003 -13.352 -5.022 1.00 75.42 C ATOM 726 OE1 GLU A 48 1.605 -14.078 -4.201 1.00 74.54 O ATOM 727 OE2 GLU A 48 0.971 -13.593 -6.254 1.00 54.12 O ATOM 0 H GLU A 48 -2.749 -12.546 -2.371 1.00 24.14 H new ATOM 0 HA GLU A 48 -0.895 -10.532 -2.890 1.00 13.25 H new ATOM 0 HB2 GLU A 48 -1.093 -13.173 -3.302 1.00 40.14 H new ATOM 0 HB3 GLU A 48 -1.717 -12.671 -4.861 1.00 40.14 H new ATOM 0 HG2 GLU A 48 0.291 -11.334 -5.292 1.00 41.44 H new ATOM 0 HG3 GLU A 48 0.900 -11.665 -3.682 1.00 41.44 H new ATOM 734 N ASP A 49 -3.150 -10.624 -5.272 1.00 73.23 N ATOM 735 CA ASP A 49 -3.850 -9.873 -6.316 1.00 72.10 C ATOM 736 C ASP A 49 -4.890 -8.900 -5.716 1.00 13.13 C ATOM 737 O ASP A 49 -5.436 -8.030 -6.394 1.00 64.22 O ATOM 738 CB ASP A 49 -4.486 -10.933 -7.213 1.00 53.33 C ATOM 739 CG ASP A 49 -5.119 -10.431 -8.510 1.00 40.11 C ATOM 740 OD1 ASP A 49 -6.288 -9.976 -8.473 1.00 75.30 O ATOM 741 OD2 ASP A 49 -4.520 -10.662 -9.587 1.00 62.01 O ATOM 0 H ASP A 49 -3.391 -11.615 -5.279 1.00 73.23 H new ATOM 0 HA ASP A 49 -3.174 -9.234 -6.884 1.00 72.10 H new ATOM 0 HB2 ASP A 49 -3.723 -11.669 -7.467 1.00 53.33 H new ATOM 0 HB3 ASP A 49 -5.252 -11.453 -6.638 1.00 53.33 H new ATOM 746 N GLY A 50 -5.173 -9.022 -4.413 1.00 62.22 N ATOM 747 CA GLY A 50 -5.997 -8.096 -3.664 1.00 53.31 C ATOM 748 C GLY A 50 -5.201 -6.830 -3.424 1.00 60.30 C ATOM 749 O GLY A 50 -5.430 -5.817 -4.074 1.00 42.24 O ATOM 0 H GLY A 50 -4.820 -9.792 -3.845 1.00 62.22 H new ATOM 0 HA2 GLY A 50 -6.910 -7.871 -4.215 1.00 53.31 H new ATOM 0 HA3 GLY A 50 -6.299 -8.539 -2.715 1.00 53.31 H new ATOM 753 N ALA A 51 -4.219 -6.906 -2.525 1.00 74.23 N ATOM 754 CA ALA A 51 -3.319 -5.811 -2.206 1.00 21.12 C ATOM 755 C ALA A 51 -2.668 -5.208 -3.457 1.00 34.34 C ATOM 756 O ALA A 51 -2.481 -3.997 -3.509 1.00 0.52 O ATOM 757 CB ALA A 51 -2.253 -6.306 -1.230 1.00 21.24 C ATOM 0 H ALA A 51 -4.028 -7.753 -1.989 1.00 74.23 H new ATOM 0 HA ALA A 51 -3.904 -5.015 -1.745 1.00 21.12 H new ATOM 0 HB1 ALA A 51 -1.574 -5.488 -0.987 1.00 21.24 H new ATOM 0 HB2 ALA A 51 -2.732 -6.663 -0.318 1.00 21.24 H new ATOM 0 HB3 ALA A 51 -1.691 -7.120 -1.687 1.00 21.24 H new ATOM 763 N LEU A 52 -2.325 -6.021 -4.459 1.00 1.22 N ATOM 764 CA LEU A 52 -1.745 -5.563 -5.716 1.00 33.13 C ATOM 765 C LEU A 52 -2.716 -4.654 -6.473 1.00 63.13 C ATOM 766 O LEU A 52 -2.308 -3.585 -6.925 1.00 51.00 O ATOM 767 CB LEU A 52 -1.350 -6.801 -6.530 1.00 33.33 C ATOM 768 CG LEU A 52 -0.555 -6.526 -7.810 1.00 15.15 C ATOM 769 CD1 LEU A 52 0.818 -5.935 -7.491 1.00 64.30 C ATOM 770 CD2 LEU A 52 -0.345 -7.851 -8.553 1.00 40.10 C ATOM 0 H LEU A 52 -2.446 -7.033 -4.415 1.00 1.22 H new ATOM 0 HA LEU A 52 -0.857 -4.959 -5.529 1.00 33.13 H new ATOM 0 HB2 LEU A 52 -0.761 -7.460 -5.892 1.00 33.33 H new ATOM 0 HB3 LEU A 52 -2.257 -7.343 -6.797 1.00 33.33 H new ATOM 0 HG LEU A 52 -1.114 -5.814 -8.417 1.00 15.15 H new ATOM 0 HD11 LEU A 52 1.359 -5.750 -8.419 1.00 64.30 H new ATOM 0 HD12 LEU A 52 0.694 -4.997 -6.951 1.00 64.30 H new ATOM 0 HD13 LEU A 52 1.382 -6.636 -6.876 1.00 64.30 H new ATOM 0 HD21 LEU A 52 0.220 -7.670 -9.467 1.00 40.10 H new ATOM 0 HD22 LEU A 52 0.207 -8.542 -7.916 1.00 40.10 H new ATOM 0 HD23 LEU A 52 -1.313 -8.284 -8.805 1.00 40.10 H new ATOM 782 N ALA A 53 -3.998 -5.020 -6.571 1.00 31.21 N ATOM 783 CA ALA A 53 -4.993 -4.098 -7.109 1.00 53.30 C ATOM 784 C ALA A 53 -5.128 -2.837 -6.240 1.00 34.14 C ATOM 785 O ALA A 53 -5.137 -1.723 -6.763 1.00 61.02 O ATOM 786 CB ALA A 53 -6.334 -4.811 -7.236 1.00 63.02 C ATOM 0 H ALA A 53 -4.362 -5.930 -6.290 1.00 31.21 H new ATOM 0 HA ALA A 53 -4.661 -3.774 -8.095 1.00 53.30 H new ATOM 0 HB1 ALA A 53 -7.076 -4.121 -7.638 1.00 63.02 H new ATOM 0 HB2 ALA A 53 -6.230 -5.664 -7.907 1.00 63.02 H new ATOM 0 HB3 ALA A 53 -6.656 -5.158 -6.254 1.00 63.02 H new ATOM 792 N VAL A 54 -5.205 -3.002 -4.915 1.00 33.04 N ATOM 793 CA VAL A 54 -5.371 -1.917 -3.940 1.00 51.32 C ATOM 794 C VAL A 54 -4.239 -0.877 -4.090 1.00 74.20 C ATOM 795 O VAL A 54 -4.461 0.317 -3.875 1.00 33.13 O ATOM 796 CB VAL A 54 -5.467 -2.531 -2.514 1.00 15.24 C ATOM 797 CG1 VAL A 54 -5.656 -1.530 -1.372 1.00 20.15 C ATOM 798 CG2 VAL A 54 -6.619 -3.540 -2.352 1.00 74.21 C ATOM 0 H VAL A 54 -5.152 -3.922 -4.478 1.00 33.04 H new ATOM 0 HA VAL A 54 -6.298 -1.373 -4.124 1.00 51.32 H new ATOM 0 HB VAL A 54 -4.489 -3.006 -2.435 1.00 15.24 H new ATOM 0 HG11 VAL A 54 -5.710 -2.065 -0.424 1.00 20.15 H new ATOM 0 HG12 VAL A 54 -4.813 -0.839 -1.351 1.00 20.15 H new ATOM 0 HG13 VAL A 54 -6.579 -0.972 -1.527 1.00 20.15 H new ATOM 0 HG21 VAL A 54 -6.624 -3.926 -1.333 1.00 74.21 H new ATOM 0 HG22 VAL A 54 -7.568 -3.045 -2.557 1.00 74.21 H new ATOM 0 HG23 VAL A 54 -6.482 -4.364 -3.052 1.00 74.21 H new ATOM 808 N LEU A 55 -3.040 -1.304 -4.505 1.00 3.44 N ATOM 809 CA LEU A 55 -1.861 -0.462 -4.698 1.00 24.34 C ATOM 810 C LEU A 55 -2.060 0.483 -5.867 1.00 75.51 C ATOM 811 O LEU A 55 -1.764 1.671 -5.745 1.00 1.15 O ATOM 812 CB LEU A 55 -0.613 -1.312 -5.005 1.00 31.41 C ATOM 813 CG LEU A 55 0.096 -1.911 -3.791 1.00 53.20 C ATOM 814 CD1 LEU A 55 1.213 -2.836 -4.277 1.00 34.52 C ATOM 815 CD2 LEU A 55 0.737 -0.827 -2.928 1.00 74.50 C ATOM 0 H LEU A 55 -2.861 -2.284 -4.723 1.00 3.44 H new ATOM 0 HA LEU A 55 -1.720 0.095 -3.772 1.00 24.34 H new ATOM 0 HB2 LEU A 55 -0.904 -2.125 -5.670 1.00 31.41 H new ATOM 0 HB3 LEU A 55 0.100 -0.694 -5.551 1.00 31.41 H new ATOM 0 HG LEU A 55 -0.646 -2.448 -3.200 1.00 53.20 H new ATOM 0 HD11 LEU A 55 1.726 -3.269 -3.418 1.00 34.52 H new ATOM 0 HD12 LEU A 55 0.786 -3.634 -4.885 1.00 34.52 H new ATOM 0 HD13 LEU A 55 1.924 -2.265 -4.874 1.00 34.52 H new ATOM 0 HD21 LEU A 55 1.232 -1.288 -2.073 1.00 74.50 H new ATOM 0 HD22 LEU A 55 1.469 -0.277 -3.519 1.00 74.50 H new ATOM 0 HD23 LEU A 55 -0.033 -0.141 -2.574 1.00 74.50 H new ATOM 827 N GLN A 56 -2.564 -0.032 -6.991 1.00 34.45 N ATOM 828 CA GLN A 56 -2.809 0.757 -8.187 1.00 15.14 C ATOM 829 C GLN A 56 -3.692 1.952 -7.830 1.00 53.34 C ATOM 830 O GLN A 56 -3.405 3.069 -8.262 1.00 44.30 O ATOM 831 CB GLN A 56 -3.469 -0.136 -9.245 1.00 54.20 C ATOM 832 CG GLN A 56 -3.653 0.565 -10.601 1.00 54.50 C ATOM 833 CD GLN A 56 -4.431 -0.265 -11.624 1.00 32.35 C ATOM 834 OE1 GLN A 56 -4.913 -1.445 -11.284 1.00 35.14 O flip ATOM 835 NE2 GLN A 56 -4.603 0.151 -12.767 1.00 75.31 N flip ATOM 0 H GLN A 56 -2.813 -1.016 -7.091 1.00 34.45 H new ATOM 0 HA GLN A 56 -1.873 1.139 -8.595 1.00 15.14 H new ATOM 0 HB2 GLN A 56 -2.862 -1.031 -9.385 1.00 54.20 H new ATOM 0 HB3 GLN A 56 -4.442 -0.464 -8.878 1.00 54.20 H new ATOM 0 HG2 GLN A 56 -4.172 1.510 -10.443 1.00 54.50 H new ATOM 0 HG3 GLN A 56 -2.672 0.805 -11.012 1.00 54.50 H new ATOM 0 HE21 GLN A 56 -4.234 1.062 -13.039 1.00 75.31 H new ATOM 0 HE22 GLN A 56 -5.115 -0.415 -13.444 1.00 75.31 H new ATOM 844 N GLN A 57 -4.723 1.723 -7.007 1.00 34.43 N ATOM 845 CA GLN A 57 -5.703 2.754 -6.664 1.00 54.52 C ATOM 846 C GLN A 57 -5.193 3.774 -5.635 1.00 60.04 C ATOM 847 O GLN A 57 -5.939 4.666 -5.234 1.00 20.02 O ATOM 848 CB GLN A 57 -7.004 2.096 -6.189 1.00 34.21 C ATOM 849 CG GLN A 57 -8.197 2.792 -6.852 1.00 44.50 C ATOM 850 CD GLN A 57 -9.534 2.417 -6.214 1.00 44.21 C ATOM 851 OE1 GLN A 57 -10.001 1.194 -6.390 1.00 63.12 O flip ATOM 852 NE2 GLN A 57 -10.145 3.202 -5.492 1.00 24.13 N flip ATOM 0 H GLN A 57 -4.898 0.821 -6.563 1.00 34.43 H new ATOM 0 HA GLN A 57 -5.890 3.327 -7.572 1.00 54.52 H new ATOM 0 HB2 GLN A 57 -7.001 1.036 -6.441 1.00 34.21 H new ATOM 0 HB3 GLN A 57 -7.085 2.166 -5.104 1.00 34.21 H new ATOM 0 HG2 GLN A 57 -8.061 3.872 -6.791 1.00 44.50 H new ATOM 0 HG3 GLN A 57 -8.220 2.533 -7.911 1.00 44.50 H new ATOM 0 HE21 GLN A 57 -9.790 4.148 -5.352 1.00 24.13 H new ATOM 0 HE22 GLN A 57 -11.007 2.908 -5.033 1.00 24.13 H new ATOM 861 N PHE A 58 -3.945 3.618 -5.199 1.00 0.25 N ATOM 862 CA PHE A 58 -3.205 4.566 -4.359 1.00 52.14 C ATOM 863 C PHE A 58 -2.069 5.237 -5.140 1.00 43.24 C ATOM 864 O PHE A 58 -1.834 6.436 -5.000 1.00 1.31 O ATOM 865 CB PHE A 58 -2.644 3.856 -3.123 1.00 72.22 C ATOM 866 CG PHE A 58 -1.823 4.751 -2.208 1.00 73.13 C ATOM 867 CD1 PHE A 58 -2.467 5.515 -1.218 1.00 20.22 C ATOM 868 CD2 PHE A 58 -0.421 4.818 -2.334 1.00 21.21 C ATOM 869 CE1 PHE A 58 -1.718 6.322 -0.343 1.00 31.21 C ATOM 870 CE2 PHE A 58 0.327 5.641 -1.471 1.00 73.30 C ATOM 871 CZ PHE A 58 -0.320 6.384 -0.470 1.00 35.42 C ATOM 0 H PHE A 58 -3.394 2.791 -5.430 1.00 0.25 H new ATOM 0 HA PHE A 58 -3.901 5.342 -4.041 1.00 52.14 H new ATOM 0 HB2 PHE A 58 -3.472 3.435 -2.553 1.00 72.22 H new ATOM 0 HB3 PHE A 58 -2.023 3.021 -3.448 1.00 72.22 H new ATOM 0 HD1 PHE A 58 -3.543 5.482 -1.129 1.00 20.22 H new ATOM 0 HD2 PHE A 58 0.080 4.237 -3.094 1.00 21.21 H new ATOM 0 HE1 PHE A 58 -2.217 6.893 0.426 1.00 31.21 H new ATOM 0 HE2 PHE A 58 1.400 5.701 -1.579 1.00 73.30 H new ATOM 0 HZ PHE A 58 0.257 7.003 0.202 1.00 35.42 H new ATOM 881 N LYS A 59 -1.331 4.494 -5.975 1.00 44.33 N ATOM 882 CA LYS A 59 -0.294 5.093 -6.819 1.00 1.35 C ATOM 883 C LYS A 59 -0.889 6.130 -7.763 1.00 60.33 C ATOM 884 O LYS A 59 -0.177 7.072 -8.116 1.00 3.11 O ATOM 885 CB LYS A 59 0.465 4.035 -7.632 1.00 63.11 C ATOM 886 CG LYS A 59 1.789 3.594 -7.000 1.00 72.20 C ATOM 887 CD LYS A 59 3.048 3.861 -7.857 1.00 20.53 C ATOM 888 CE LYS A 59 3.740 5.205 -7.542 1.00 31.24 C ATOM 889 NZ LYS A 59 5.002 5.349 -8.308 1.00 12.34 N ATOM 0 H LYS A 59 -1.433 3.485 -6.083 1.00 44.33 H new ATOM 0 HA LYS A 59 0.413 5.581 -6.148 1.00 1.35 H new ATOM 0 HB2 LYS A 59 -0.174 3.161 -7.758 1.00 63.11 H new ATOM 0 HB3 LYS A 59 0.664 4.431 -8.628 1.00 63.11 H new ATOM 0 HG2 LYS A 59 1.905 4.105 -6.044 1.00 72.20 H new ATOM 0 HG3 LYS A 59 1.734 2.526 -6.787 1.00 72.20 H new ATOM 0 HD2 LYS A 59 3.760 3.051 -7.702 1.00 20.53 H new ATOM 0 HD3 LYS A 59 2.770 3.844 -8.911 1.00 20.53 H new ATOM 0 HE2 LYS A 59 3.068 6.029 -7.784 1.00 31.24 H new ATOM 0 HE3 LYS A 59 3.950 5.268 -6.474 1.00 31.24 H new ATOM 0 HZ1 LYS A 59 5.145 6.349 -8.557 1.00 12.34 H new ATOM 0 HZ2 LYS A 59 5.800 5.019 -7.728 1.00 12.34 H new ATOM 0 HZ3 LYS A 59 4.947 4.780 -9.177 1.00 12.34 H new ATOM 903 N ASP A 60 -2.151 5.986 -8.150 1.00 13.11 N ATOM 904 CA ASP A 60 -2.812 6.954 -9.017 1.00 32.41 C ATOM 905 C ASP A 60 -3.359 8.173 -8.242 1.00 40.32 C ATOM 906 O ASP A 60 -3.979 9.034 -8.861 1.00 34.25 O ATOM 907 CB ASP A 60 -3.898 6.249 -9.858 1.00 14.44 C ATOM 908 CG ASP A 60 -3.906 6.696 -11.325 1.00 44.10 C ATOM 909 OD1 ASP A 60 -3.547 7.858 -11.623 1.00 12.42 O ATOM 910 OD2 ASP A 60 -4.221 5.866 -12.208 1.00 53.31 O ATOM 0 H ASP A 60 -2.741 5.201 -7.874 1.00 13.11 H new ATOM 0 HA ASP A 60 -2.066 7.363 -9.698 1.00 32.41 H new ATOM 0 HB2 ASP A 60 -3.741 5.171 -9.813 1.00 14.44 H new ATOM 0 HB3 ASP A 60 -4.876 6.447 -9.418 1.00 14.44 H new ATOM 915 N SER A 61 -3.171 8.274 -6.918 1.00 44.34 N ATOM 916 CA SER A 61 -3.646 9.377 -6.078 1.00 33.14 C ATOM 917 C SER A 61 -2.570 10.472 -5.939 1.00 64.22 C ATOM 918 O SER A 61 -1.463 10.328 -6.474 1.00 14.34 O ATOM 919 CB SER A 61 -3.997 8.783 -4.707 1.00 22.21 C ATOM 920 OG SER A 61 -4.802 7.624 -4.840 1.00 71.24 O ATOM 0 H SER A 61 -2.666 7.564 -6.387 1.00 44.34 H new ATOM 0 HA SER A 61 -4.519 9.849 -6.529 1.00 33.14 H new ATOM 0 HB2 SER A 61 -3.081 8.533 -4.171 1.00 22.21 H new ATOM 0 HB3 SER A 61 -4.523 9.527 -4.109 1.00 22.21 H new ATOM 0 HG SER A 61 -5.709 7.818 -4.524 1.00 71.24 H new ATOM 926 N ASP A 62 -2.823 11.518 -5.132 1.00 41.31 N ATOM 927 CA ASP A 62 -2.023 12.723 -5.021 1.00 62.40 C ATOM 928 C ASP A 62 -1.690 12.974 -3.547 1.00 22.45 C ATOM 929 O ASP A 62 -2.312 13.783 -2.843 1.00 3.21 O ATOM 930 CB ASP A 62 -2.697 13.965 -5.617 1.00 32.23 C ATOM 931 CG ASP A 62 -3.928 13.827 -6.494 1.00 13.51 C ATOM 932 OD1 ASP A 62 -4.940 13.264 -6.018 1.00 62.11 O ATOM 933 OD2 ASP A 62 -3.923 14.454 -7.581 1.00 31.24 O ATOM 0 H ASP A 62 -3.634 11.534 -4.514 1.00 41.31 H new ATOM 0 HA ASP A 62 -1.117 12.555 -5.603 1.00 62.40 H new ATOM 0 HB2 ASP A 62 -2.966 14.616 -4.785 1.00 32.23 H new ATOM 0 HB3 ASP A 62 -1.943 14.491 -6.202 1.00 32.23 H new ATOM 938 N LEU A 63 -0.689 12.264 -3.023 1.00 11.35 N ATOM 939 CA LEU A 63 -0.541 12.152 -1.585 1.00 72.44 C ATOM 940 C LEU A 63 0.249 13.300 -0.969 1.00 42.12 C ATOM 941 O LEU A 63 0.304 13.369 0.252 1.00 3.40 O ATOM 942 CB LEU A 63 0.095 10.790 -1.311 1.00 50.41 C ATOM 943 CG LEU A 63 -0.646 9.626 -2.006 1.00 65.31 C ATOM 944 CD1 LEU A 63 -2.165 9.627 -1.788 1.00 11.55 C ATOM 945 CD2 LEU A 63 -0.228 9.302 -3.441 1.00 1.13 C ATOM 0 H LEU A 63 0.016 11.768 -3.568 1.00 11.35 H new ATOM 0 HA LEU A 63 -1.518 12.223 -1.106 1.00 72.44 H new ATOM 0 HB2 LEU A 63 1.132 10.805 -1.647 1.00 50.41 H new ATOM 0 HB3 LEU A 63 0.111 10.613 -0.236 1.00 50.41 H new ATOM 0 HG LEU A 63 -0.269 8.764 -1.455 1.00 65.31 H new ATOM 0 HD11 LEU A 63 -2.608 8.778 -2.309 1.00 11.55 H new ATOM 0 HD12 LEU A 63 -2.380 9.551 -0.722 1.00 11.55 H new ATOM 0 HD13 LEU A 63 -2.588 10.553 -2.178 1.00 11.55 H new ATOM 0 HD21 LEU A 63 -0.822 8.468 -3.813 1.00 1.13 H new ATOM 0 HD22 LEU A 63 -0.391 10.175 -4.073 1.00 1.13 H new ATOM 0 HD23 LEU A 63 0.828 9.032 -3.460 1.00 1.13 H new ATOM 957 N SER A 64 0.839 14.213 -1.740 1.00 3.23 N ATOM 958 CA SER A 64 1.696 15.303 -1.294 1.00 51.15 C ATOM 959 C SER A 64 1.073 16.069 -0.128 1.00 62.54 C ATOM 960 O SER A 64 1.608 16.040 0.979 1.00 5.11 O ATOM 961 CB SER A 64 1.997 16.227 -2.482 1.00 25.50 C ATOM 962 OG SER A 64 1.992 15.549 -3.726 1.00 42.15 O ATOM 0 H SER A 64 0.722 14.208 -2.753 1.00 3.23 H new ATOM 0 HA SER A 64 2.633 14.887 -0.923 1.00 51.15 H new ATOM 0 HB2 SER A 64 1.258 17.028 -2.508 1.00 25.50 H new ATOM 0 HB3 SER A 64 2.970 16.695 -2.334 1.00 25.50 H new ATOM 0 HG SER A 64 2.187 16.185 -4.446 1.00 42.15 H new ATOM 968 N HIS A 65 -0.085 16.687 -0.360 1.00 31.52 N ATOM 969 CA HIS A 65 -0.712 17.605 0.584 1.00 11.22 C ATOM 970 C HIS A 65 -1.590 16.880 1.611 1.00 2.53 C ATOM 971 O HIS A 65 -2.247 17.532 2.423 1.00 72.14 O ATOM 972 CB HIS A 65 -1.533 18.637 -0.197 1.00 23.13 C ATOM 973 CG HIS A 65 -0.749 19.342 -1.276 1.00 42.21 C ATOM 974 ND1 HIS A 65 -0.593 18.927 -2.580 1.00 65.43 N ATOM 975 CD2 HIS A 65 -0.027 20.490 -1.118 1.00 30.52 C ATOM 976 CE1 HIS A 65 0.220 19.793 -3.200 1.00 31.11 C ATOM 977 NE2 HIS A 65 0.599 20.756 -2.343 1.00 45.04 N ATOM 0 H HIS A 65 -0.619 16.561 -1.220 1.00 31.52 H new ATOM 0 HA HIS A 65 0.076 18.103 1.150 1.00 11.22 H new ATOM 0 HB2 HIS A 65 -2.391 18.139 -0.649 1.00 23.13 H new ATOM 0 HB3 HIS A 65 -1.925 19.379 0.499 1.00 23.13 H new ATOM 0 HD2 HIS A 65 0.048 21.082 -0.218 1.00 30.52 H new ATOM 0 HE1 HIS A 65 0.525 19.727 -4.234 1.00 31.11 H new ATOM 0 HE2 HIS A 65 1.225 21.535 -2.546 1.00 45.04 H new ATOM 985 N VAL A 66 -1.660 15.546 1.574 1.00 51.51 N ATOM 986 CA VAL A 66 -2.482 14.771 2.496 1.00 70.34 C ATOM 987 C VAL A 66 -1.964 14.960 3.926 1.00 11.42 C ATOM 988 O VAL A 66 -0.772 15.199 4.137 1.00 23.12 O ATOM 989 CB VAL A 66 -2.497 13.300 2.037 1.00 70.33 C ATOM 990 CG1 VAL A 66 -3.162 12.341 3.024 1.00 14.41 C ATOM 991 CG2 VAL A 66 -3.229 13.170 0.696 1.00 71.13 C ATOM 0 H VAL A 66 -1.146 14.976 0.902 1.00 51.51 H new ATOM 0 HA VAL A 66 -3.515 15.118 2.493 1.00 70.34 H new ATOM 0 HB VAL A 66 -1.447 13.018 1.957 1.00 70.33 H new ATOM 0 HG11 VAL A 66 -3.130 11.327 2.624 1.00 14.41 H new ATOM 0 HG12 VAL A 66 -2.632 12.373 3.976 1.00 14.41 H new ATOM 0 HG13 VAL A 66 -4.200 12.638 3.177 1.00 14.41 H new ATOM 0 HG21 VAL A 66 -3.232 12.126 0.383 1.00 71.13 H new ATOM 0 HG22 VAL A 66 -4.256 13.519 0.807 1.00 71.13 H new ATOM 0 HG23 VAL A 66 -2.720 13.773 -0.056 1.00 71.13 H new ATOM 1001 N GLN A 67 -2.884 14.836 4.888 1.00 50.40 N ATOM 1002 CA GLN A 67 -2.642 14.856 6.321 1.00 11.52 C ATOM 1003 C GLN A 67 -1.830 13.607 6.706 1.00 3.32 C ATOM 1004 O GLN A 67 -0.606 13.675 6.741 1.00 45.21 O ATOM 1005 CB GLN A 67 -4.012 14.986 7.025 1.00 1.34 C ATOM 1006 CG GLN A 67 -3.977 15.754 8.347 1.00 61.13 C ATOM 1007 CD GLN A 67 -3.120 15.113 9.424 1.00 10.43 C ATOM 1008 OE1 GLN A 67 -1.988 15.535 9.640 1.00 23.15 O ATOM 1009 NE2 GLN A 67 -3.642 14.139 10.144 1.00 51.51 N ATOM 0 H GLN A 67 -3.872 14.712 4.667 1.00 50.40 H new ATOM 0 HA GLN A 67 -2.040 15.706 6.642 1.00 11.52 H new ATOM 0 HB2 GLN A 67 -4.708 15.483 6.349 1.00 1.34 H new ATOM 0 HB3 GLN A 67 -4.407 13.987 7.210 1.00 1.34 H new ATOM 0 HG2 GLN A 67 -3.607 16.762 8.158 1.00 61.13 H new ATOM 0 HG3 GLN A 67 -4.996 15.854 8.722 1.00 61.13 H new ATOM 0 HE21 GLN A 67 -4.585 13.806 9.944 1.00 51.51 H new ATOM 0 HE22 GLN A 67 -3.102 13.719 10.901 1.00 51.51 H new ATOM 1018 N ASN A 68 -2.480 12.453 6.913 1.00 23.01 N ATOM 1019 CA ASN A 68 -1.816 11.170 7.150 1.00 73.13 C ATOM 1020 C ASN A 68 -1.788 10.416 5.828 1.00 12.42 C ATOM 1021 O ASN A 68 -2.858 10.064 5.316 1.00 1.25 O ATOM 1022 CB ASN A 68 -2.585 10.287 8.147 1.00 34.41 C ATOM 1023 CG ASN A 68 -2.643 10.819 9.565 1.00 74.44 C ATOM 1024 OD1 ASN A 68 -1.644 11.240 10.131 1.00 64.13 O ATOM 1025 ND2 ASN A 68 -3.812 10.783 10.179 1.00 50.34 N ATOM 0 H ASN A 68 -3.498 12.387 6.920 1.00 23.01 H new ATOM 0 HA ASN A 68 -0.825 11.375 7.555 1.00 73.13 H new ATOM 0 HB2 ASN A 68 -3.604 10.157 7.782 1.00 34.41 H new ATOM 0 HB3 ASN A 68 -2.124 9.299 8.165 1.00 34.41 H new ATOM 0 HD21 ASN A 68 -3.893 11.110 11.142 1.00 50.34 H new ATOM 0 HD22 ASN A 68 -4.634 10.428 9.690 1.00 50.34 H new ATOM 1032 N LYS A 69 -0.609 10.111 5.281 1.00 65.40 N ATOM 1033 CA LYS A 69 -0.505 9.277 4.072 1.00 44.32 C ATOM 1034 C LYS A 69 -1.188 7.924 4.283 1.00 62.14 C ATOM 1035 O LYS A 69 -1.838 7.382 3.392 1.00 12.21 O ATOM 1036 CB LYS A 69 0.974 9.043 3.717 1.00 63.13 C ATOM 1037 CG LYS A 69 1.814 10.320 3.544 1.00 34.20 C ATOM 1038 CD LYS A 69 1.418 11.110 2.302 1.00 44.33 C ATOM 1039 CE LYS A 69 2.442 12.224 2.020 1.00 23.10 C ATOM 1040 NZ LYS A 69 1.998 13.531 2.545 1.00 70.31 N ATOM 0 H LYS A 69 0.287 10.426 5.652 1.00 65.40 H new ATOM 0 HA LYS A 69 -1.002 9.803 3.257 1.00 44.32 H new ATOM 0 HB2 LYS A 69 1.427 8.432 4.498 1.00 63.13 H new ATOM 0 HB3 LYS A 69 1.023 8.467 2.793 1.00 63.13 H new ATOM 0 HG2 LYS A 69 1.698 10.951 4.425 1.00 34.20 H new ATOM 0 HG3 LYS A 69 2.869 10.052 3.481 1.00 34.20 H new ATOM 0 HD2 LYS A 69 1.354 10.441 1.444 1.00 44.33 H new ATOM 0 HD3 LYS A 69 0.428 11.545 2.441 1.00 44.33 H new ATOM 0 HE2 LYS A 69 3.399 11.959 2.470 1.00 23.10 H new ATOM 0 HE3 LYS A 69 2.606 12.302 0.945 1.00 23.10 H new ATOM 0 HZ1 LYS A 69 2.820 14.060 2.899 1.00 70.31 H new ATOM 0 HZ2 LYS A 69 1.538 14.072 1.785 1.00 70.31 H new ATOM 0 HZ3 LYS A 69 1.322 13.382 3.321 1.00 70.31 H new ATOM 1054 N SER A 70 -1.021 7.376 5.480 1.00 14.15 N ATOM 1055 CA SER A 70 -1.489 6.051 5.855 1.00 74.30 C ATOM 1056 C SER A 70 -3.011 6.005 5.856 1.00 54.13 C ATOM 1057 O SER A 70 -3.596 5.092 5.285 1.00 74.12 O ATOM 1058 CB SER A 70 -0.859 5.635 7.192 1.00 43.44 C ATOM 1059 OG SER A 70 -1.773 5.553 8.259 1.00 33.23 O ATOM 0 H SER A 70 -0.541 7.858 6.240 1.00 14.15 H new ATOM 0 HA SER A 70 -1.167 5.317 5.116 1.00 74.30 H new ATOM 0 HB2 SER A 70 -0.375 4.666 7.067 1.00 43.44 H new ATOM 0 HB3 SER A 70 -0.078 6.350 7.451 1.00 43.44 H new ATOM 0 HG SER A 70 -1.513 6.185 8.962 1.00 33.23 H new ATOM 1065 N ALA A 71 -3.669 6.990 6.470 1.00 12.35 N ATOM 1066 CA ALA A 71 -5.126 7.004 6.490 1.00 11.25 C ATOM 1067 C ALA A 71 -5.710 7.183 5.086 1.00 31.33 C ATOM 1068 O ALA A 71 -6.835 6.749 4.843 1.00 10.51 O ATOM 1069 CB ALA A 71 -5.644 8.088 7.429 1.00 51.42 C ATOM 0 H ALA A 71 -3.224 7.772 6.950 1.00 12.35 H new ATOM 0 HA ALA A 71 -5.456 6.035 6.863 1.00 11.25 H new ATOM 0 HB1 ALA A 71 -6.734 8.080 7.428 1.00 51.42 H new ATOM 0 HB2 ALA A 71 -5.281 7.898 8.439 1.00 51.42 H new ATOM 0 HB3 ALA A 71 -5.288 9.062 7.092 1.00 51.42 H new ATOM 1075 N PHE A 72 -4.956 7.765 4.145 1.00 65.40 N ATOM 1076 CA PHE A 72 -5.401 7.842 2.756 1.00 51.32 C ATOM 1077 C PHE A 72 -5.498 6.419 2.216 1.00 10.34 C ATOM 1078 O PHE A 72 -6.562 5.973 1.786 1.00 1.21 O ATOM 1079 CB PHE A 72 -4.491 8.735 1.908 1.00 1.53 C ATOM 1080 CG PHE A 72 -5.068 9.075 0.545 1.00 4.33 C ATOM 1081 CD1 PHE A 72 -5.176 8.089 -0.456 1.00 32.43 C ATOM 1082 CD2 PHE A 72 -5.519 10.382 0.277 1.00 64.10 C ATOM 1083 CE1 PHE A 72 -5.745 8.399 -1.702 1.00 32.05 C ATOM 1084 CE2 PHE A 72 -6.054 10.700 -0.983 1.00 44.40 C ATOM 1085 CZ PHE A 72 -6.179 9.708 -1.969 1.00 22.14 C ATOM 0 H PHE A 72 -4.043 8.185 4.322 1.00 65.40 H new ATOM 0 HA PHE A 72 -6.382 8.315 2.705 1.00 51.32 H new ATOM 0 HB2 PHE A 72 -4.296 9.660 2.451 1.00 1.53 H new ATOM 0 HB3 PHE A 72 -3.531 8.236 1.772 1.00 1.53 H new ATOM 0 HD1 PHE A 72 -4.819 7.088 -0.264 1.00 32.43 H new ATOM 0 HD2 PHE A 72 -5.454 11.142 1.042 1.00 64.10 H new ATOM 0 HE1 PHE A 72 -5.849 7.631 -2.455 1.00 32.05 H new ATOM 0 HE2 PHE A 72 -6.370 11.711 -1.194 1.00 44.40 H new ATOM 0 HZ PHE A 72 -6.608 9.951 -2.930 1.00 22.14 H new ATOM 1095 N LEU A 73 -4.379 5.699 2.322 1.00 61.12 N ATOM 1096 CA LEU A 73 -4.200 4.319 1.895 1.00 0.13 C ATOM 1097 C LEU A 73 -5.282 3.426 2.499 1.00 62.34 C ATOM 1098 O LEU A 73 -5.960 2.675 1.799 1.00 54.21 O ATOM 1099 CB LEU A 73 -2.796 3.871 2.342 1.00 41.11 C ATOM 1100 CG LEU A 73 -2.412 2.483 1.823 1.00 1.45 C ATOM 1101 CD1 LEU A 73 -1.988 2.593 0.369 1.00 22.42 C ATOM 1102 CD2 LEU A 73 -1.273 1.897 2.659 1.00 64.31 C ATOM 0 H LEU A 73 -3.530 6.089 2.731 1.00 61.12 H new ATOM 0 HA LEU A 73 -4.289 4.239 0.812 1.00 0.13 H new ATOM 0 HB2 LEU A 73 -2.062 4.598 1.994 1.00 41.11 H new ATOM 0 HB3 LEU A 73 -2.752 3.870 3.431 1.00 41.11 H new ATOM 0 HG LEU A 73 -3.273 1.819 1.903 1.00 1.45 H new ATOM 0 HD11 LEU A 73 -1.713 1.607 -0.006 1.00 22.42 H new ATOM 0 HD12 LEU A 73 -2.814 2.989 -0.222 1.00 22.42 H new ATOM 0 HD13 LEU A 73 -1.132 3.263 0.289 1.00 22.42 H new ATOM 0 HD21 LEU A 73 -1.012 0.910 2.277 1.00 64.31 H new ATOM 0 HD22 LEU A 73 -0.403 2.551 2.598 1.00 64.31 H new ATOM 0 HD23 LEU A 73 -1.591 1.811 3.698 1.00 64.31 H new ATOM 1114 N CYS A 74 -5.458 3.527 3.814 1.00 2.55 N ATOM 1115 CA CYS A 74 -6.406 2.712 4.546 1.00 20.12 C ATOM 1116 C CYS A 74 -7.856 3.020 4.142 1.00 63.14 C ATOM 1117 O CYS A 74 -8.726 2.166 4.305 1.00 34.42 O ATOM 1118 CB CYS A 74 -6.190 2.918 6.048 1.00 74.40 C ATOM 1119 SG CYS A 74 -6.570 1.371 6.908 1.00 73.40 S ATOM 0 H CYS A 74 -4.941 4.183 4.399 1.00 2.55 H new ATOM 0 HA CYS A 74 -6.233 1.665 4.298 1.00 20.12 H new ATOM 0 HB2 CYS A 74 -5.160 3.216 6.244 1.00 74.40 H new ATOM 0 HB3 CYS A 74 -6.829 3.721 6.415 1.00 74.40 H new ATOM 0 HG CYS A 74 -6.389 1.529 8.186 1.00 73.40 H new ATOM 1125 N GLY A 75 -8.119 4.205 3.581 1.00 31.23 N ATOM 1126 CA GLY A 75 -9.423 4.536 3.023 1.00 1.55 C ATOM 1127 C GLY A 75 -9.719 3.653 1.816 1.00 24.25 C ATOM 1128 O GLY A 75 -10.749 2.980 1.782 1.00 51.51 O ATOM 0 H GLY A 75 -7.433 4.956 3.504 1.00 31.23 H new ATOM 0 HA2 GLY A 75 -10.196 4.401 3.780 1.00 1.55 H new ATOM 0 HA3 GLY A 75 -9.445 5.585 2.729 1.00 1.55 H new ATOM 1132 N VAL A 76 -8.788 3.603 0.856 1.00 3.43 N ATOM 1133 CA VAL A 76 -8.886 2.749 -0.326 1.00 31.41 C ATOM 1134 C VAL A 76 -9.090 1.293 0.123 1.00 63.12 C ATOM 1135 O VAL A 76 -9.993 0.615 -0.374 1.00 74.01 O ATOM 1136 CB VAL A 76 -7.649 2.962 -1.238 1.00 32.31 C ATOM 1137 CG1 VAL A 76 -7.624 2.019 -2.445 1.00 35.05 C ATOM 1138 CG2 VAL A 76 -7.586 4.408 -1.758 1.00 33.24 C ATOM 0 H VAL A 76 -7.936 4.163 0.882 1.00 3.43 H new ATOM 0 HA VAL A 76 -9.751 3.016 -0.933 1.00 31.41 H new ATOM 0 HB VAL A 76 -6.785 2.743 -0.610 1.00 32.31 H new ATOM 0 HG11 VAL A 76 -6.735 2.218 -3.043 1.00 35.05 H new ATOM 0 HG12 VAL A 76 -7.605 0.986 -2.099 1.00 35.05 H new ATOM 0 HG13 VAL A 76 -8.514 2.182 -3.053 1.00 35.05 H new ATOM 0 HG21 VAL A 76 -6.709 4.528 -2.394 1.00 33.24 H new ATOM 0 HG22 VAL A 76 -8.485 4.627 -2.334 1.00 33.24 H new ATOM 0 HG23 VAL A 76 -7.519 5.095 -0.915 1.00 33.24 H new ATOM 1148 N MET A 77 -8.307 0.815 1.099 1.00 73.42 N ATOM 1149 CA MET A 77 -8.474 -0.528 1.665 1.00 73.04 C ATOM 1150 C MET A 77 -9.886 -0.784 2.195 1.00 40.10 C ATOM 1151 O MET A 77 -10.405 -1.885 1.994 1.00 40.31 O ATOM 1152 CB MET A 77 -7.500 -0.758 2.819 1.00 34.02 C ATOM 1153 CG MET A 77 -6.046 -0.798 2.371 1.00 34.44 C ATOM 1154 SD MET A 77 -4.923 -0.616 3.769 1.00 64.12 S ATOM 1155 CE MET A 77 -3.391 -0.878 2.877 1.00 35.05 C ATOM 0 H MET A 77 -7.543 1.347 1.516 1.00 73.42 H new ATOM 0 HA MET A 77 -8.277 -1.215 0.842 1.00 73.04 H new ATOM 0 HB2 MET A 77 -7.625 0.035 3.557 1.00 34.02 H new ATOM 0 HB3 MET A 77 -7.748 -1.697 3.315 1.00 34.02 H new ATOM 0 HG2 MET A 77 -5.846 -1.741 1.862 1.00 34.44 H new ATOM 0 HG3 MET A 77 -5.864 -0.001 1.650 1.00 34.44 H new ATOM 0 HE1 MET A 77 -2.565 -0.438 3.435 1.00 35.05 H new ATOM 0 HE2 MET A 77 -3.218 -1.947 2.757 1.00 35.05 H new ATOM 0 HE3 MET A 77 -3.457 -0.408 1.896 1.00 35.05 H new ATOM 1165 N LYS A 78 -10.507 0.186 2.881 1.00 53.52 N ATOM 1166 CA LYS A 78 -11.857 0.012 3.418 1.00 21.13 C ATOM 1167 C LYS A 78 -12.814 -0.313 2.276 1.00 60.13 C ATOM 1168 O LYS A 78 -13.586 -1.261 2.387 1.00 60.03 O ATOM 1169 CB LYS A 78 -12.330 1.255 4.197 1.00 15.23 C ATOM 1170 CG LYS A 78 -13.490 0.881 5.141 1.00 35.02 C ATOM 1171 CD LYS A 78 -14.339 2.068 5.630 1.00 14.51 C ATOM 1172 CE LYS A 78 -14.165 2.414 7.116 1.00 0.12 C ATOM 1173 NZ LYS A 78 -12.949 3.197 7.414 1.00 31.35 N ATOM 0 H LYS A 78 -10.093 1.098 3.075 1.00 53.52 H new ATOM 0 HA LYS A 78 -11.843 -0.816 4.127 1.00 21.13 H new ATOM 0 HB2 LYS A 78 -11.502 1.670 4.772 1.00 15.23 H new ATOM 0 HB3 LYS A 78 -12.653 2.029 3.501 1.00 15.23 H new ATOM 0 HG2 LYS A 78 -14.142 0.174 4.628 1.00 35.02 H new ATOM 0 HG3 LYS A 78 -13.080 0.365 6.009 1.00 35.02 H new ATOM 0 HD2 LYS A 78 -14.088 2.946 5.035 1.00 14.51 H new ATOM 0 HD3 LYS A 78 -15.390 1.846 5.443 1.00 14.51 H new ATOM 0 HE2 LYS A 78 -15.037 2.975 7.452 1.00 0.12 H new ATOM 0 HE3 LYS A 78 -14.139 1.489 7.693 1.00 0.12 H new ATOM 0 HZ1 LYS A 78 -12.902 3.391 8.435 1.00 31.35 H new ATOM 0 HZ2 LYS A 78 -12.109 2.657 7.125 1.00 31.35 H new ATOM 0 HZ3 LYS A 78 -12.978 4.096 6.892 1.00 31.35 H new ATOM 1187 N THR A 79 -12.741 0.438 1.177 1.00 12.11 N ATOM 1188 CA THR A 79 -13.577 0.218 0.010 1.00 71.00 C ATOM 1189 C THR A 79 -13.376 -1.204 -0.515 1.00 42.20 C ATOM 1190 O THR A 79 -14.342 -1.956 -0.577 1.00 34.41 O ATOM 1191 CB THR A 79 -13.269 1.267 -1.067 1.00 21.34 C ATOM 1192 OG1 THR A 79 -12.945 2.519 -0.490 1.00 61.04 O ATOM 1193 CG2 THR A 79 -14.464 1.464 -1.996 1.00 0.35 C ATOM 0 H THR A 79 -12.094 1.220 1.077 1.00 12.11 H new ATOM 0 HA THR A 79 -14.625 0.328 0.289 1.00 71.00 H new ATOM 0 HB THR A 79 -12.415 0.894 -1.633 1.00 21.34 H new ATOM 0 HG1 THR A 79 -12.752 3.166 -1.200 1.00 61.04 H new ATOM 0 HG21 THR A 79 -14.219 2.212 -2.750 1.00 0.35 H new ATOM 0 HG22 THR A 79 -14.703 0.520 -2.486 1.00 0.35 H new ATOM 0 HG23 THR A 79 -15.324 1.800 -1.417 1.00 0.35 H new ATOM 1201 N TYR A 80 -12.139 -1.609 -0.836 1.00 33.04 N ATOM 1202 CA TYR A 80 -11.882 -2.948 -1.369 1.00 55.44 C ATOM 1203 C TYR A 80 -12.424 -4.039 -0.436 1.00 1.43 C ATOM 1204 O TYR A 80 -13.056 -4.988 -0.899 1.00 12.12 O ATOM 1205 CB TYR A 80 -10.386 -3.165 -1.628 1.00 55.32 C ATOM 1206 CG TYR A 80 -9.920 -2.667 -2.983 1.00 1.44 C ATOM 1207 CD1 TYR A 80 -9.986 -3.517 -4.102 1.00 0.42 C ATOM 1208 CD2 TYR A 80 -9.373 -1.380 -3.121 1.00 55.21 C ATOM 1209 CE1 TYR A 80 -9.527 -3.083 -5.357 1.00 35.02 C ATOM 1210 CE2 TYR A 80 -8.895 -0.940 -4.366 1.00 60.24 C ATOM 1211 CZ TYR A 80 -8.984 -1.787 -5.498 1.00 3.21 C ATOM 1212 OH TYR A 80 -8.569 -1.343 -6.718 1.00 62.04 O ATOM 0 H TYR A 80 -11.306 -1.029 -0.735 1.00 33.04 H new ATOM 0 HA TYR A 80 -12.411 -3.022 -2.319 1.00 55.44 H new ATOM 0 HB2 TYR A 80 -9.815 -2.659 -0.849 1.00 55.32 H new ATOM 0 HB3 TYR A 80 -10.163 -4.229 -1.546 1.00 55.32 H new ATOM 0 HD1 TYR A 80 -10.393 -4.512 -3.995 1.00 0.42 H new ATOM 0 HD2 TYR A 80 -9.320 -0.725 -2.264 1.00 55.21 H new ATOM 0 HE1 TYR A 80 -9.589 -3.739 -6.212 1.00 35.02 H new ATOM 0 HE2 TYR A 80 -8.460 0.044 -4.460 1.00 60.24 H new ATOM 0 HH TYR A 80 -8.931 -0.447 -6.881 1.00 62.04 H new ATOM 1222 N ARG A 81 -12.224 -3.923 0.884 1.00 71.42 N ATOM 1223 CA ARG A 81 -12.674 -4.949 1.824 1.00 40.34 C ATOM 1224 C ARG A 81 -14.187 -4.915 2.105 1.00 53.40 C ATOM 1225 O ARG A 81 -14.683 -5.798 2.810 1.00 52.24 O ATOM 1226 CB ARG A 81 -11.848 -4.893 3.121 1.00 3.45 C ATOM 1227 CG ARG A 81 -11.617 -6.321 3.639 1.00 71.30 C ATOM 1228 CD ARG A 81 -11.852 -6.482 5.142 1.00 11.54 C ATOM 1229 NE ARG A 81 -12.079 -7.896 5.476 1.00 31.01 N ATOM 1230 CZ ARG A 81 -13.228 -8.561 5.291 1.00 64.33 C ATOM 1231 NH1 ARG A 81 -14.287 -7.935 4.790 1.00 22.25 N ATOM 1232 NH2 ARG A 81 -13.310 -9.856 5.583 1.00 44.24 N ATOM 0 H ARG A 81 -11.754 -3.130 1.320 1.00 71.42 H new ATOM 0 HA ARG A 81 -12.499 -5.910 1.340 1.00 40.34 H new ATOM 0 HB2 ARG A 81 -10.893 -4.402 2.936 1.00 3.45 H new ATOM 0 HB3 ARG A 81 -12.370 -4.301 3.873 1.00 3.45 H new ATOM 0 HG2 ARG A 81 -12.278 -7.002 3.103 1.00 71.30 H new ATOM 0 HG3 ARG A 81 -10.595 -6.620 3.407 1.00 71.30 H new ATOM 0 HD2 ARG A 81 -10.991 -6.105 5.694 1.00 11.54 H new ATOM 0 HD3 ARG A 81 -12.712 -5.887 5.448 1.00 11.54 H new ATOM 0 HE ARG A 81 -11.299 -8.413 5.881 1.00 31.01 H new ATOM 0 HH11 ARG A 81 -14.227 -6.947 4.545 1.00 22.25 H new ATOM 0 HH12 ARG A 81 -15.161 -8.443 4.650 1.00 22.25 H new ATOM 0 HH21 ARG A 81 -12.496 -10.349 5.950 1.00 44.24 H new ATOM 0 HH22 ARG A 81 -14.187 -10.356 5.440 1.00 44.24 H new ATOM 1246 N GLN A 82 -14.918 -3.951 1.544 1.00 63.31 N ATOM 1247 CA GLN A 82 -16.373 -3.862 1.556 1.00 23.44 C ATOM 1248 C GLN A 82 -16.836 -3.606 0.119 1.00 34.41 C ATOM 1249 O GLN A 82 -17.147 -2.479 -0.272 1.00 53.43 O ATOM 1250 CB GLN A 82 -16.838 -2.783 2.555 1.00 44.51 C ATOM 1251 CG GLN A 82 -17.481 -3.352 3.824 1.00 72.12 C ATOM 1252 CD GLN A 82 -18.932 -3.760 3.579 1.00 20.12 C ATOM 1253 OE1 GLN A 82 -19.198 -4.901 3.209 1.00 34.12 O ATOM 1254 NE2 GLN A 82 -19.892 -2.861 3.739 1.00 0.13 N ATOM 0 H GLN A 82 -14.486 -3.173 1.045 1.00 63.31 H new ATOM 0 HA GLN A 82 -16.827 -4.791 1.901 1.00 23.44 H new ATOM 0 HB2 GLN A 82 -15.983 -2.169 2.836 1.00 44.51 H new ATOM 0 HB3 GLN A 82 -17.553 -2.126 2.060 1.00 44.51 H new ATOM 0 HG2 GLN A 82 -16.911 -4.216 4.166 1.00 72.12 H new ATOM 0 HG3 GLN A 82 -17.440 -2.608 4.619 1.00 72.12 H new ATOM 0 HE21 GLN A 82 -19.660 -1.917 4.047 1.00 0.13 H new ATOM 0 HE22 GLN A 82 -20.863 -3.113 3.555 1.00 0.13 H new ATOM 1263 N ARG A 83 -16.869 -4.670 -0.678 1.00 2.33 N ATOM 1264 CA ARG A 83 -17.263 -4.718 -2.068 1.00 54.10 C ATOM 1265 C ARG A 83 -18.007 -6.019 -2.279 1.00 51.24 C ATOM 1266 O ARG A 83 -17.402 -7.090 -2.301 1.00 34.24 O ATOM 1267 CB ARG A 83 -16.029 -4.661 -2.982 1.00 20.33 C ATOM 1268 CG ARG A 83 -15.874 -3.266 -3.574 1.00 3.41 C ATOM 1269 CD ARG A 83 -14.836 -3.296 -4.699 1.00 14.52 C ATOM 1270 NE ARG A 83 -14.840 -2.066 -5.498 1.00 54.13 N ATOM 1271 CZ ARG A 83 -15.714 -1.726 -6.459 1.00 3.11 C ATOM 1272 NH1 ARG A 83 -16.730 -2.513 -6.805 1.00 13.32 N ATOM 1273 NH2 ARG A 83 -15.555 -0.575 -7.099 1.00 22.23 N ATOM 0 H ARG A 83 -16.598 -5.591 -0.333 1.00 2.33 H new ATOM 0 HA ARG A 83 -17.895 -3.864 -2.314 1.00 54.10 H new ATOM 0 HB2 ARG A 83 -15.136 -4.924 -2.415 1.00 20.33 H new ATOM 0 HB3 ARG A 83 -16.127 -5.394 -3.782 1.00 20.33 H new ATOM 0 HG2 ARG A 83 -16.832 -2.915 -3.959 1.00 3.41 H new ATOM 0 HG3 ARG A 83 -15.565 -2.564 -2.800 1.00 3.41 H new ATOM 0 HD2 ARG A 83 -13.845 -3.444 -4.271 1.00 14.52 H new ATOM 0 HD3 ARG A 83 -15.033 -4.149 -5.349 1.00 14.52 H new ATOM 0 HE ARG A 83 -14.097 -1.395 -5.302 1.00 54.13 H new ATOM 0 HH11 ARG A 83 -16.865 -3.408 -6.335 1.00 13.32 H new ATOM 0 HH12 ARG A 83 -17.374 -2.221 -7.540 1.00 13.32 H new ATOM 0 HH21 ARG A 83 -14.777 0.039 -6.859 1.00 22.23 H new ATOM 0 HH22 ARG A 83 -16.211 -0.304 -7.831 1.00 22.23 H new ATOM 1287 N GLU A 84 -19.317 -5.937 -2.415 1.00 71.40 N ATOM 1288 CA GLU A 84 -20.162 -6.965 -2.952 1.00 51.14 C ATOM 1289 C GLU A 84 -20.493 -6.553 -4.382 1.00 74.12 C ATOM 1290 O GLU A 84 -20.860 -5.398 -4.621 1.00 21.13 O ATOM 1291 CB GLU A 84 -21.406 -7.002 -2.074 1.00 43.23 C ATOM 1292 CG GLU A 84 -22.044 -8.373 -2.134 1.00 1.34 C ATOM 1293 CD GLU A 84 -22.954 -8.589 -0.926 1.00 31.11 C ATOM 1294 OE1 GLU A 84 -22.427 -8.566 0.212 1.00 0.45 O ATOM 1295 OE2 GLU A 84 -24.186 -8.724 -1.119 1.00 60.22 O ATOM 0 H GLU A 84 -19.839 -5.106 -2.137 1.00 71.40 H new ATOM 0 HA GLU A 84 -19.705 -7.954 -2.965 1.00 51.14 H new ATOM 0 HB2 GLU A 84 -21.141 -6.760 -1.045 1.00 43.23 H new ATOM 0 HB3 GLU A 84 -22.118 -6.246 -2.406 1.00 43.23 H new ATOM 0 HG2 GLU A 84 -22.620 -8.473 -3.054 1.00 1.34 H new ATOM 0 HG3 GLU A 84 -21.270 -9.141 -2.157 1.00 1.34 H new ATOM 1302 N LYS A 85 -20.305 -7.452 -5.334 1.00 3.14 N ATOM 1303 CA LYS A 85 -20.748 -7.403 -6.719 1.00 73.20 C ATOM 1304 C LYS A 85 -20.829 -8.863 -7.122 1.00 21.44 C ATOM 1305 O LYS A 85 -20.196 -9.698 -6.434 1.00 75.02 O ATOM 1306 CB LYS A 85 -19.751 -6.626 -7.589 1.00 54.54 C ATOM 1307 CG LYS A 85 -20.144 -6.493 -9.068 1.00 51.33 C ATOM 1308 CD LYS A 85 -21.545 -5.887 -9.277 1.00 61.11 C ATOM 1309 CE LYS A 85 -21.577 -4.934 -10.474 1.00 11.31 C ATOM 1310 NZ LYS A 85 -21.263 -5.592 -11.762 1.00 63.42 N ATOM 0 H LYS A 85 -19.792 -8.312 -5.140 1.00 3.14 H new ATOM 0 HA LYS A 85 -21.699 -6.886 -6.845 1.00 73.20 H new ATOM 0 HB2 LYS A 85 -19.628 -5.627 -7.170 1.00 54.54 H new ATOM 0 HB3 LYS A 85 -18.780 -7.118 -7.530 1.00 54.54 H new ATOM 0 HG2 LYS A 85 -19.408 -5.871 -9.577 1.00 51.33 H new ATOM 0 HG3 LYS A 85 -20.108 -7.477 -9.536 1.00 51.33 H new ATOM 0 HD2 LYS A 85 -22.269 -6.688 -9.430 1.00 61.11 H new ATOM 0 HD3 LYS A 85 -21.848 -5.351 -8.377 1.00 61.11 H new ATOM 0 HE2 LYS A 85 -22.565 -4.479 -10.539 1.00 11.31 H new ATOM 0 HE3 LYS A 85 -20.865 -4.127 -10.305 1.00 11.31 H new ATOM 0 HZ1 LYS A 85 -21.302 -4.891 -12.529 1.00 63.42 H new ATOM 0 HZ2 LYS A 85 -20.309 -6.004 -11.718 1.00 63.42 H new ATOM 0 HZ3 LYS A 85 -21.957 -6.345 -11.946 1.00 63.42 H new TER 1324 LYS A 85