USER MOD reduce.3.24.130724 H: found=0, std=0, add=873, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 871 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 Single : A 1 GLY N :NH3+ -103:sc= 0.0795 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 ASN : amide:sc= -0.134 X(o=-0.13,f=0) USER MOD Single : A 18 GLN : amide:sc= 0.00631 X(o=0.0063,f=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.365 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -149:sc= -0.0512 (180deg=-0.585) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 ASN : amide:sc= -1.55! C(o=-1.6!,f=-2.6!) USER MOD Single : A 65 GLN :FLIP amide:sc= -0.103 F(o=-2,f=-0.1) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 93:sc= 0.276 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 35:sc= 0.466 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= -0.0174 K(o=-0.017,f=-1.4!) USER MOD Single : A 104 GLN : amide:sc= -2.66 K(o=-2.7,f=-3.2!) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 ASN : amide:sc= -0.0928 X(o=-0.093,f=-0.4) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.672 47.923 4.679 1.00 0.00 N ATOM 2 CA GLY A 1 3.871 46.722 4.832 1.00 0.00 C ATOM 3 C GLY A 1 2.383 47.013 4.824 1.00 0.00 C ATOM 4 O GLY A 1 1.967 48.158 5.001 1.00 0.00 O ATOM 0 H1 GLY A 1 5.031 47.979 3.705 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.087 48.759 4.881 1.00 0.00 H new ATOM 0 H3 GLY A 1 5.473 47.893 5.342 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.107 46.027 4.026 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.137 46.228 5.767 1.00 0.00 H new ATOM 8 N SER A 2 1.580 45.975 4.618 1.00 0.00 N ATOM 9 CA SER A 2 0.130 46.125 4.583 1.00 0.00 C ATOM 10 C SER A 2 -0.555 44.767 4.464 1.00 0.00 C ATOM 11 O SER A 2 0.105 43.737 4.322 1.00 0.00 O ATOM 12 CB SER A 2 -0.283 47.021 3.413 1.00 0.00 C ATOM 13 OG SER A 2 -1.475 47.728 3.708 1.00 0.00 O ATOM 0 H SER A 2 1.909 45.020 4.473 1.00 0.00 H new ATOM 0 HA SER A 2 -0.185 46.590 5.517 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.517 47.727 3.192 1.00 0.00 H new ATOM 0 HB3 SER A 2 -0.428 46.414 2.520 1.00 0.00 H new ATOM 0 HG SER A 2 -1.717 48.294 2.946 1.00 0.00 H new ATOM 19 N SER A 3 -1.883 44.773 4.524 1.00 0.00 N ATOM 20 CA SER A 3 -2.658 43.542 4.428 1.00 0.00 C ATOM 21 C SER A 3 -2.394 42.837 3.101 1.00 0.00 C ATOM 22 O SER A 3 -1.694 43.360 2.235 1.00 0.00 O ATOM 23 CB SER A 3 -4.151 43.842 4.571 1.00 0.00 C ATOM 24 OG SER A 3 -4.430 44.463 5.814 1.00 0.00 O ATOM 0 H SER A 3 -2.444 45.617 4.639 1.00 0.00 H new ATOM 0 HA SER A 3 -2.348 42.882 5.238 1.00 0.00 H new ATOM 0 HB2 SER A 3 -4.474 44.490 3.756 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.721 42.916 4.487 1.00 0.00 H new ATOM 0 HG SER A 3 -5.391 44.646 5.880 1.00 0.00 H new ATOM 30 N GLY A 4 -2.961 41.643 2.949 1.00 0.00 N ATOM 31 CA GLY A 4 -2.776 40.884 1.726 1.00 0.00 C ATOM 32 C GLY A 4 -4.041 40.171 1.289 1.00 0.00 C ATOM 33 O GLY A 4 -5.089 40.796 1.128 1.00 0.00 O ATOM 0 H GLY A 4 -3.545 41.189 3.651 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.448 41.555 0.932 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.982 40.152 1.873 1.00 0.00 H new ATOM 37 N SER A 5 -3.942 38.860 1.096 1.00 0.00 N ATOM 38 CA SER A 5 -5.086 38.062 0.669 1.00 0.00 C ATOM 39 C SER A 5 -6.151 38.013 1.760 1.00 0.00 C ATOM 40 O SER A 5 -6.198 37.074 2.555 1.00 0.00 O ATOM 41 CB SER A 5 -4.640 36.643 0.312 1.00 0.00 C ATOM 42 OG SER A 5 -3.916 36.628 -0.907 1.00 0.00 O ATOM 0 H SER A 5 -3.082 38.328 1.228 1.00 0.00 H new ATOM 0 HA SER A 5 -5.517 38.533 -0.215 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.019 36.241 1.113 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.512 35.994 0.229 1.00 0.00 H new ATOM 0 HG SER A 5 -3.640 35.710 -1.113 1.00 0.00 H new ATOM 48 N SER A 6 -7.004 39.032 1.792 1.00 0.00 N ATOM 49 CA SER A 6 -8.067 39.108 2.787 1.00 0.00 C ATOM 50 C SER A 6 -9.289 38.310 2.340 1.00 0.00 C ATOM 51 O SER A 6 -10.408 38.820 2.333 1.00 0.00 O ATOM 52 CB SER A 6 -8.459 40.566 3.035 1.00 0.00 C ATOM 53 OG SER A 6 -7.327 41.347 3.373 1.00 0.00 O ATOM 0 H SER A 6 -6.980 39.816 1.140 1.00 0.00 H new ATOM 0 HA SER A 6 -7.693 38.676 3.715 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.934 40.975 2.143 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.193 40.617 3.839 1.00 0.00 H new ATOM 0 HG SER A 6 -7.603 42.275 3.525 1.00 0.00 H new ATOM 59 N GLY A 7 -9.063 37.054 1.965 1.00 0.00 N ATOM 60 CA GLY A 7 -10.153 36.206 1.521 1.00 0.00 C ATOM 61 C GLY A 7 -10.141 34.847 2.192 1.00 0.00 C ATOM 62 O GLY A 7 -9.252 34.529 2.983 1.00 0.00 O ATOM 0 H GLY A 7 -8.145 36.610 1.961 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -11.102 36.701 1.727 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.090 36.075 0.441 1.00 0.00 H new ATOM 66 N PRO A 8 -11.148 34.018 1.879 1.00 0.00 N ATOM 67 CA PRO A 8 -11.272 32.673 2.448 1.00 0.00 C ATOM 68 C PRO A 8 -10.198 31.722 1.929 1.00 0.00 C ATOM 69 O PRO A 8 -9.479 32.021 0.975 1.00 0.00 O ATOM 70 CB PRO A 8 -12.658 32.218 1.984 1.00 0.00 C ATOM 71 CG PRO A 8 -12.919 33.003 0.744 1.00 0.00 C ATOM 72 CD PRO A 8 -12.242 34.330 0.945 1.00 0.00 C ATOM 0 HA PRO A 8 -11.149 32.676 3.531 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -12.677 31.146 1.786 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -13.414 32.415 2.744 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -12.522 32.491 -0.133 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -13.989 33.131 0.581 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -11.865 34.735 0.006 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -12.925 35.071 1.360 1.00 0.00 H new ATOM 80 N PRO A 9 -10.087 30.549 2.568 1.00 0.00 N ATOM 81 CA PRO A 9 -9.103 29.530 2.187 1.00 0.00 C ATOM 82 C PRO A 9 -9.432 28.880 0.847 1.00 0.00 C ATOM 83 O PRO A 9 -10.600 28.734 0.486 1.00 0.00 O ATOM 84 CB PRO A 9 -9.201 28.503 3.318 1.00 0.00 C ATOM 85 CG PRO A 9 -10.578 28.667 3.861 1.00 0.00 C ATOM 86 CD PRO A 9 -10.911 30.125 3.712 1.00 0.00 C ATOM 0 HA PRO A 9 -8.106 29.952 2.061 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -9.039 27.490 2.948 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -8.449 28.686 4.085 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -11.289 28.047 3.315 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -10.624 28.361 4.906 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -11.973 30.277 3.520 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -10.666 30.687 4.613 1.00 0.00 H new ATOM 94 N VAL A 10 -8.394 28.491 0.113 1.00 0.00 N ATOM 95 CA VAL A 10 -8.573 27.855 -1.186 1.00 0.00 C ATOM 96 C VAL A 10 -7.540 26.755 -1.406 1.00 0.00 C ATOM 97 O VAL A 10 -6.335 26.994 -1.317 1.00 0.00 O ATOM 98 CB VAL A 10 -8.468 28.879 -2.332 1.00 0.00 C ATOM 99 CG1 VAL A 10 -7.039 29.382 -2.469 1.00 0.00 C ATOM 100 CG2 VAL A 10 -8.955 28.270 -3.637 1.00 0.00 C ATOM 0 H VAL A 10 -7.421 28.605 0.396 1.00 0.00 H new ATOM 0 HA VAL A 10 -9.572 27.418 -1.190 1.00 0.00 H new ATOM 0 HB VAL A 10 -9.106 29.730 -2.095 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -6.984 30.104 -3.283 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -6.731 29.860 -1.539 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -6.377 28.543 -2.683 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -8.874 29.008 -4.435 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -8.345 27.401 -3.883 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -9.996 27.965 -3.530 1.00 0.00 H new ATOM 110 N ILE A 11 -8.019 25.550 -1.695 1.00 0.00 N ATOM 111 CA ILE A 11 -7.137 24.414 -1.929 1.00 0.00 C ATOM 112 C ILE A 11 -6.657 24.380 -3.376 1.00 0.00 C ATOM 113 O ILE A 11 -7.377 23.936 -4.270 1.00 0.00 O ATOM 114 CB ILE A 11 -7.837 23.081 -1.602 1.00 0.00 C ATOM 115 CG1 ILE A 11 -8.245 23.043 -0.128 1.00 0.00 C ATOM 116 CG2 ILE A 11 -6.926 21.909 -1.935 1.00 0.00 C ATOM 117 CD1 ILE A 11 -9.425 22.137 0.149 1.00 0.00 C ATOM 0 H ILE A 11 -9.013 25.335 -1.773 1.00 0.00 H new ATOM 0 HA ILE A 11 -6.280 24.538 -1.266 1.00 0.00 H new ATOM 0 HB ILE A 11 -8.737 23.001 -2.211 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -7.395 22.711 0.468 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -8.488 24.054 0.200 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -7.434 20.974 -1.699 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -6.680 21.930 -2.997 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -6.010 21.982 -1.349 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -9.659 22.159 1.213 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -10.289 22.481 -0.419 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -9.178 21.117 -0.147 1.00 0.00 H new ATOM 129 N ARG A 12 -5.434 24.851 -3.598 1.00 0.00 N ATOM 130 CA ARG A 12 -4.856 24.875 -4.937 1.00 0.00 C ATOM 131 C ARG A 12 -4.339 23.494 -5.330 1.00 0.00 C ATOM 132 O ARG A 12 -4.612 23.009 -6.427 1.00 0.00 O ATOM 133 CB ARG A 12 -3.719 25.896 -5.006 1.00 0.00 C ATOM 134 CG ARG A 12 -4.154 27.315 -4.676 1.00 0.00 C ATOM 135 CD ARG A 12 -4.611 28.061 -5.919 1.00 0.00 C ATOM 136 NE ARG A 12 -5.890 27.563 -6.417 1.00 0.00 N ATOM 137 CZ ARG A 12 -6.345 27.803 -7.642 1.00 0.00 C ATOM 138 NH1 ARG A 12 -5.629 28.529 -8.489 1.00 0.00 N ATOM 139 NH2 ARG A 12 -7.519 27.315 -8.022 1.00 0.00 N ATOM 0 H ARG A 12 -4.824 25.221 -2.869 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.638 25.165 -5.639 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -2.931 25.597 -4.315 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -3.288 25.881 -6.007 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -4.965 27.288 -3.948 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -3.327 27.852 -4.212 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -4.699 29.123 -5.692 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -3.856 27.963 -6.699 1.00 0.00 H new ATOM 0 HE ARG A 12 -6.465 27.000 -5.790 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -4.726 28.905 -8.201 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -5.981 28.711 -9.429 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -8.073 26.755 -7.373 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -7.868 27.500 -8.963 1.00 0.00 H new ATOM 153 N GLN A 13 -3.591 22.869 -4.427 1.00 0.00 N ATOM 154 CA GLN A 13 -3.034 21.545 -4.680 1.00 0.00 C ATOM 155 C GLN A 13 -3.504 20.546 -3.628 1.00 0.00 C ATOM 156 O GLN A 13 -2.850 20.355 -2.604 1.00 0.00 O ATOM 157 CB GLN A 13 -1.506 21.606 -4.697 1.00 0.00 C ATOM 158 CG GLN A 13 -0.846 20.249 -4.882 1.00 0.00 C ATOM 159 CD GLN A 13 -0.960 19.733 -6.303 1.00 0.00 C ATOM 160 OE1 GLN A 13 -0.418 20.326 -7.236 1.00 0.00 O ATOM 161 NE2 GLN A 13 -1.667 18.622 -6.475 1.00 0.00 N ATOM 0 H GLN A 13 -3.356 23.258 -3.514 1.00 0.00 H new ATOM 0 HA GLN A 13 -3.388 21.210 -5.655 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -1.186 22.269 -5.501 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -1.158 22.046 -3.763 1.00 0.00 H new ATOM 0 HG2 GLN A 13 0.207 20.321 -4.609 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -1.303 19.531 -4.201 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -2.099 18.163 -5.673 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -1.778 18.227 -7.409 1.00 0.00 H new ATOM 170 N GLY A 14 -4.643 19.912 -3.888 1.00 0.00 N ATOM 171 CA GLY A 14 -5.181 18.940 -2.953 1.00 0.00 C ATOM 172 C GLY A 14 -4.977 17.512 -3.419 1.00 0.00 C ATOM 173 O GLY A 14 -4.423 17.259 -4.489 1.00 0.00 O ATOM 0 H GLY A 14 -5.203 20.054 -4.729 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -4.705 19.073 -1.981 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -6.246 19.125 -2.814 1.00 0.00 H new ATOM 177 N PRO A 15 -5.429 16.549 -2.603 1.00 0.00 N ATOM 178 CA PRO A 15 -5.303 15.123 -2.916 1.00 0.00 C ATOM 179 C PRO A 15 -6.203 14.701 -4.072 1.00 0.00 C ATOM 180 O PRO A 15 -7.322 15.195 -4.213 1.00 0.00 O ATOM 181 CB PRO A 15 -5.740 14.435 -1.620 1.00 0.00 C ATOM 182 CG PRO A 15 -6.636 15.421 -0.952 1.00 0.00 C ATOM 183 CD PRO A 15 -6.099 16.778 -1.312 1.00 0.00 C ATOM 0 HA PRO A 15 -4.293 14.864 -3.233 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -6.262 13.500 -1.824 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -4.883 14.191 -0.993 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -7.665 15.306 -1.292 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -6.639 15.276 0.128 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -6.897 17.516 -1.399 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -5.404 17.148 -0.558 1.00 0.00 H new ATOM 191 N VAL A 16 -5.707 13.785 -4.898 1.00 0.00 N ATOM 192 CA VAL A 16 -6.468 13.296 -6.042 1.00 0.00 C ATOM 193 C VAL A 16 -6.682 11.789 -5.955 1.00 0.00 C ATOM 194 O VAL A 16 -6.013 11.100 -5.187 1.00 0.00 O ATOM 195 CB VAL A 16 -5.760 13.627 -7.369 1.00 0.00 C ATOM 196 CG1 VAL A 16 -5.592 15.131 -7.524 1.00 0.00 C ATOM 197 CG2 VAL A 16 -4.415 12.921 -7.446 1.00 0.00 C ATOM 0 H VAL A 16 -4.782 13.367 -4.796 1.00 0.00 H new ATOM 0 HA VAL A 16 -7.434 13.800 -6.019 1.00 0.00 H new ATOM 0 HB VAL A 16 -6.380 13.268 -8.191 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -5.090 15.346 -8.467 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -6.572 15.609 -7.517 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -4.994 15.517 -6.699 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.929 13.166 -8.390 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.785 13.247 -6.618 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.566 11.843 -7.385 1.00 0.00 H new ATOM 207 N ASN A 17 -7.620 11.283 -6.750 1.00 0.00 N ATOM 208 CA ASN A 17 -7.924 9.857 -6.763 1.00 0.00 C ATOM 209 C ASN A 17 -6.692 9.042 -7.148 1.00 0.00 C ATOM 210 O ASN A 17 -6.064 9.298 -8.175 1.00 0.00 O ATOM 211 CB ASN A 17 -9.067 9.566 -7.738 1.00 0.00 C ATOM 212 CG ASN A 17 -9.232 8.084 -8.010 1.00 0.00 C ATOM 213 OD1 ASN A 17 -9.127 7.635 -9.152 1.00 0.00 O ATOM 214 ND2 ASN A 17 -9.491 7.315 -6.959 1.00 0.00 N ATOM 0 H ASN A 17 -8.182 11.840 -7.393 1.00 0.00 H new ATOM 0 HA ASN A 17 -8.231 9.567 -5.758 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -9.997 9.964 -7.332 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -8.881 10.086 -8.677 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -9.611 6.309 -7.080 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -9.570 7.730 -6.030 1.00 0.00 H new ATOM 221 N GLN A 18 -6.355 8.061 -6.317 1.00 0.00 N ATOM 222 CA GLN A 18 -5.199 7.210 -6.571 1.00 0.00 C ATOM 223 C GLN A 18 -5.496 5.762 -6.193 1.00 0.00 C ATOM 224 O GLN A 18 -6.281 5.495 -5.283 1.00 0.00 O ATOM 225 CB GLN A 18 -3.985 7.715 -5.790 1.00 0.00 C ATOM 226 CG GLN A 18 -3.478 9.068 -6.261 1.00 0.00 C ATOM 227 CD GLN A 18 -2.328 9.585 -5.421 1.00 0.00 C ATOM 228 OE1 GLN A 18 -1.206 9.734 -5.907 1.00 0.00 O ATOM 229 NE2 GLN A 18 -2.599 9.863 -4.151 1.00 0.00 N ATOM 0 H GLN A 18 -6.866 7.836 -5.463 1.00 0.00 H new ATOM 0 HA GLN A 18 -4.977 7.250 -7.637 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -4.245 7.782 -4.734 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -3.180 6.985 -5.875 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -3.158 8.990 -7.300 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.296 9.788 -6.233 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -3.543 9.725 -3.789 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -1.864 10.215 -3.538 1.00 0.00 H new ATOM 238 N THR A 19 -4.863 4.830 -6.898 1.00 0.00 N ATOM 239 CA THR A 19 -5.060 3.409 -6.638 1.00 0.00 C ATOM 240 C THR A 19 -3.778 2.761 -6.128 1.00 0.00 C ATOM 241 O THR A 19 -2.707 2.939 -6.708 1.00 0.00 O ATOM 242 CB THR A 19 -5.530 2.666 -7.903 1.00 0.00 C ATOM 243 OG1 THR A 19 -6.635 3.358 -8.495 1.00 0.00 O ATOM 244 CG2 THR A 19 -5.937 1.238 -7.571 1.00 0.00 C ATOM 0 H THR A 19 -4.209 5.034 -7.654 1.00 0.00 H new ATOM 0 HA THR A 19 -5.832 3.332 -5.873 1.00 0.00 H new ATOM 0 HB THR A 19 -4.701 2.635 -8.610 1.00 0.00 H new ATOM 0 HG1 THR A 19 -6.927 2.881 -9.299 1.00 0.00 H new ATOM 0 HG21 THR A 19 -6.265 0.733 -8.479 1.00 0.00 H new ATOM 0 HG22 THR A 19 -5.085 0.706 -7.147 1.00 0.00 H new ATOM 0 HG23 THR A 19 -6.753 1.251 -6.848 1.00 0.00 H new ATOM 252 N VAL A 20 -3.894 2.007 -5.039 1.00 0.00 N ATOM 253 CA VAL A 20 -2.744 1.330 -4.452 1.00 0.00 C ATOM 254 C VAL A 20 -3.083 -0.110 -4.085 1.00 0.00 C ATOM 255 O VAL A 20 -4.203 -0.409 -3.672 1.00 0.00 O ATOM 256 CB VAL A 20 -2.243 2.064 -3.194 1.00 0.00 C ATOM 257 CG1 VAL A 20 -1.349 1.154 -2.365 1.00 0.00 C ATOM 258 CG2 VAL A 20 -1.508 3.339 -3.580 1.00 0.00 C ATOM 0 H VAL A 20 -4.773 1.850 -4.546 1.00 0.00 H new ATOM 0 HA VAL A 20 -1.956 1.334 -5.205 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.105 2.338 -2.586 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.005 1.690 -1.480 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.911 0.272 -2.059 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.489 0.847 -2.961 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.161 3.846 -2.680 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.653 3.090 -4.209 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.183 3.996 -4.128 1.00 0.00 H new ATOM 268 N ALA A 21 -2.107 -0.999 -4.237 1.00 0.00 N ATOM 269 CA ALA A 21 -2.301 -2.409 -3.919 1.00 0.00 C ATOM 270 C ALA A 21 -2.433 -2.619 -2.414 1.00 0.00 C ATOM 271 O ALA A 21 -2.185 -1.706 -1.625 1.00 0.00 O ATOM 272 CB ALA A 21 -1.150 -3.237 -4.470 1.00 0.00 C ATOM 0 H ALA A 21 -1.174 -0.768 -4.578 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.228 -2.738 -4.388 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.308 -4.287 -4.225 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.103 -3.120 -5.553 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.213 -2.898 -4.027 1.00 0.00 H new ATOM 278 N VAL A 22 -2.826 -3.827 -2.022 1.00 0.00 N ATOM 279 CA VAL A 22 -2.991 -4.157 -0.611 1.00 0.00 C ATOM 280 C VAL A 22 -1.679 -3.994 0.148 1.00 0.00 C ATOM 281 O VAL A 22 -0.600 -4.216 -0.402 1.00 0.00 O ATOM 282 CB VAL A 22 -3.502 -5.598 -0.428 1.00 0.00 C ATOM 283 CG1 VAL A 22 -3.240 -6.081 0.990 1.00 0.00 C ATOM 284 CG2 VAL A 22 -4.983 -5.684 -0.764 1.00 0.00 C ATOM 0 H VAL A 22 -3.036 -4.593 -2.662 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.729 -3.464 -0.208 1.00 0.00 H new ATOM 0 HB VAL A 22 -2.959 -6.248 -1.114 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -3.608 -7.101 1.101 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.169 -6.058 1.190 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.755 -5.431 1.697 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.328 -6.709 -0.629 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -5.545 -5.023 -0.104 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -5.139 -5.382 -1.800 1.00 0.00 H new ATOM 294 N ASP A 23 -1.779 -3.606 1.415 1.00 0.00 N ATOM 295 CA ASP A 23 -0.600 -3.415 2.251 1.00 0.00 C ATOM 296 C ASP A 23 0.447 -2.573 1.530 1.00 0.00 C ATOM 297 O ASP A 23 1.640 -2.666 1.818 1.00 0.00 O ATOM 298 CB ASP A 23 -0.003 -4.768 2.644 1.00 0.00 C ATOM 299 CG ASP A 23 -0.937 -5.582 3.517 1.00 0.00 C ATOM 300 OD1 ASP A 23 -1.885 -4.995 4.080 1.00 0.00 O ATOM 301 OD2 ASP A 23 -0.720 -6.805 3.637 1.00 0.00 O ATOM 0 H ASP A 23 -2.664 -3.418 1.885 1.00 0.00 H new ATOM 0 HA ASP A 23 -0.906 -2.886 3.153 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.232 -5.334 1.742 1.00 0.00 H new ATOM 0 HB3 ASP A 23 0.936 -4.607 3.173 1.00 0.00 H new ATOM 306 N GLY A 24 -0.007 -1.749 0.590 1.00 0.00 N ATOM 307 CA GLY A 24 0.903 -0.903 -0.158 1.00 0.00 C ATOM 308 C GLY A 24 1.261 0.367 0.589 1.00 0.00 C ATOM 309 O GLY A 24 1.426 0.354 1.809 1.00 0.00 O ATOM 0 H GLY A 24 -0.990 -1.653 0.334 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.814 -1.460 -0.379 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.449 -0.643 -1.114 1.00 0.00 H new ATOM 313 N THR A 25 1.383 1.469 -0.145 1.00 0.00 N ATOM 314 CA THR A 25 1.727 2.752 0.455 1.00 0.00 C ATOM 315 C THR A 25 1.258 3.910 -0.419 1.00 0.00 C ATOM 316 O THR A 25 1.692 4.054 -1.562 1.00 0.00 O ATOM 317 CB THR A 25 3.245 2.877 0.682 1.00 0.00 C ATOM 318 OG1 THR A 25 3.753 1.674 1.269 1.00 0.00 O ATOM 319 CG2 THR A 25 3.561 4.060 1.585 1.00 0.00 C ATOM 0 H THR A 25 1.249 1.498 -1.156 1.00 0.00 H new ATOM 0 HA THR A 25 1.219 2.798 1.418 1.00 0.00 H new ATOM 0 HB THR A 25 3.723 3.039 -0.284 1.00 0.00 H new ATOM 0 HG1 THR A 25 4.719 1.761 1.409 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.639 4.128 1.731 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.199 4.978 1.122 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.072 3.922 2.549 1.00 0.00 H new ATOM 327 N PHE A 26 0.370 4.734 0.126 1.00 0.00 N ATOM 328 CA PHE A 26 -0.159 5.881 -0.604 1.00 0.00 C ATOM 329 C PHE A 26 -0.053 7.153 0.231 1.00 0.00 C ATOM 330 O PHE A 26 -0.324 7.146 1.432 1.00 0.00 O ATOM 331 CB PHE A 26 -1.617 5.635 -0.996 1.00 0.00 C ATOM 332 CG PHE A 26 -2.539 5.496 0.181 1.00 0.00 C ATOM 333 CD1 PHE A 26 -2.497 4.366 0.981 1.00 0.00 C ATOM 334 CD2 PHE A 26 -3.448 6.496 0.487 1.00 0.00 C ATOM 335 CE1 PHE A 26 -3.345 4.235 2.065 1.00 0.00 C ATOM 336 CE2 PHE A 26 -4.298 6.371 1.570 1.00 0.00 C ATOM 337 CZ PHE A 26 -4.246 5.240 2.360 1.00 0.00 C ATOM 0 H PHE A 26 0.001 4.629 1.071 1.00 0.00 H new ATOM 0 HA PHE A 26 0.436 6.010 -1.508 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -1.961 6.459 -1.621 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -1.674 4.730 -1.601 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -1.794 3.578 0.755 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -3.493 7.383 -0.127 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -3.303 3.348 2.680 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -5.002 7.157 1.798 1.00 0.00 H new ATOM 0 HZ PHE A 26 -4.909 5.141 3.207 1.00 0.00 H new ATOM 347 N VAL A 27 0.344 8.246 -0.414 1.00 0.00 N ATOM 348 CA VAL A 27 0.486 9.527 0.268 1.00 0.00 C ATOM 349 C VAL A 27 -0.562 10.525 -0.214 1.00 0.00 C ATOM 350 O VAL A 27 -0.978 10.494 -1.373 1.00 0.00 O ATOM 351 CB VAL A 27 1.888 10.126 0.051 1.00 0.00 C ATOM 352 CG1 VAL A 27 2.045 11.417 0.839 1.00 0.00 C ATOM 353 CG2 VAL A 27 2.962 9.121 0.439 1.00 0.00 C ATOM 0 H VAL A 27 0.573 8.270 -1.408 1.00 0.00 H new ATOM 0 HA VAL A 27 0.341 9.337 1.332 1.00 0.00 H new ATOM 0 HB VAL A 27 2.005 10.358 -1.007 1.00 0.00 H new ATOM 0 HG11 VAL A 27 3.042 11.826 0.673 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.298 12.138 0.508 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.908 11.214 1.901 1.00 0.00 H new ATOM 0 HG21 VAL A 27 3.947 9.561 0.279 1.00 0.00 H new ATOM 0 HG22 VAL A 27 2.849 8.856 1.490 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.861 8.225 -0.174 1.00 0.00 H new ATOM 363 N LEU A 28 -0.984 11.410 0.682 1.00 0.00 N ATOM 364 CA LEU A 28 -1.983 12.419 0.349 1.00 0.00 C ATOM 365 C LEU A 28 -1.595 13.779 0.921 1.00 0.00 C ATOM 366 O LEU A 28 -1.528 13.955 2.137 1.00 0.00 O ATOM 367 CB LEU A 28 -3.355 12.002 0.880 1.00 0.00 C ATOM 368 CG LEU A 28 -3.859 10.628 0.434 1.00 0.00 C ATOM 369 CD1 LEU A 28 -4.934 10.120 1.382 1.00 0.00 C ATOM 370 CD2 LEU A 28 -4.388 10.692 -0.991 1.00 0.00 C ATOM 0 H LEU A 28 -0.650 11.449 1.645 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.031 12.502 -0.737 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.321 12.018 1.969 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.084 12.752 0.573 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.023 9.929 0.459 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.280 9.142 1.049 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.522 10.036 2.388 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.771 10.818 1.390 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.742 9.706 -1.292 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.211 11.405 -1.042 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.590 11.011 -1.661 1.00 0.00 H new ATOM 382 N SER A 29 -1.345 14.738 0.035 1.00 0.00 N ATOM 383 CA SER A 29 -0.963 16.082 0.452 1.00 0.00 C ATOM 384 C SER A 29 -2.074 17.082 0.148 1.00 0.00 C ATOM 385 O SER A 29 -2.763 16.972 -0.867 1.00 0.00 O ATOM 386 CB SER A 29 0.329 16.509 -0.249 1.00 0.00 C ATOM 387 OG SER A 29 0.104 16.754 -1.627 1.00 0.00 O ATOM 0 H SER A 29 -1.400 14.609 -0.975 1.00 0.00 H new ATOM 0 HA SER A 29 -0.796 16.067 1.529 1.00 0.00 H new ATOM 0 HB2 SER A 29 0.723 17.408 0.224 1.00 0.00 H new ATOM 0 HB3 SER A 29 1.084 15.731 -0.133 1.00 0.00 H new ATOM 0 HG SER A 29 0.944 17.027 -2.052 1.00 0.00 H new ATOM 393 N CYS A 30 -2.243 18.057 1.034 1.00 0.00 N ATOM 394 CA CYS A 30 -3.270 19.077 0.863 1.00 0.00 C ATOM 395 C CYS A 30 -2.749 20.450 1.280 1.00 0.00 C ATOM 396 O CYS A 30 -2.353 20.652 2.428 1.00 0.00 O ATOM 397 CB CYS A 30 -4.514 18.721 1.680 1.00 0.00 C ATOM 398 SG CYS A 30 -5.820 19.990 1.638 1.00 0.00 S ATOM 0 H CYS A 30 -1.681 18.162 1.879 1.00 0.00 H new ATOM 0 HA CYS A 30 -3.536 19.115 -0.193 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -4.923 17.782 1.308 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -4.219 18.553 2.716 1.00 0.00 H new ATOM 403 N VAL A 31 -2.754 21.389 0.340 1.00 0.00 N ATOM 404 CA VAL A 31 -2.283 22.743 0.610 1.00 0.00 C ATOM 405 C VAL A 31 -3.391 23.765 0.384 1.00 0.00 C ATOM 406 O VAL A 31 -4.067 23.746 -0.644 1.00 0.00 O ATOM 407 CB VAL A 31 -1.077 23.105 -0.277 1.00 0.00 C ATOM 408 CG1 VAL A 31 -0.576 24.504 0.048 1.00 0.00 C ATOM 409 CG2 VAL A 31 0.034 22.079 -0.109 1.00 0.00 C ATOM 0 H VAL A 31 -3.079 21.238 -0.615 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.976 22.769 1.656 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.397 23.093 -1.319 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.276 24.742 -0.588 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.373 25.226 -0.128 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.271 24.548 1.094 1.00 0.00 H new ATOM 0 HG21 VAL A 31 0.878 22.350 -0.743 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.354 22.057 0.933 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.334 21.094 -0.396 1.00 0.00 H new ATOM 419 N ALA A 32 -3.572 24.658 1.352 1.00 0.00 N ATOM 420 CA ALA A 32 -4.596 25.690 1.257 1.00 0.00 C ATOM 421 C ALA A 32 -4.109 27.004 1.860 1.00 0.00 C ATOM 422 O ALA A 32 -3.553 27.026 2.959 1.00 0.00 O ATOM 423 CB ALA A 32 -5.873 25.232 1.946 1.00 0.00 C ATOM 0 H ALA A 32 -3.022 24.687 2.211 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.807 25.861 0.201 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -6.629 26.013 1.867 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -6.239 24.323 1.468 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.667 25.031 2.997 1.00 0.00 H new ATOM 429 N THR A 33 -4.322 28.097 1.135 1.00 0.00 N ATOM 430 CA THR A 33 -3.903 29.414 1.598 1.00 0.00 C ATOM 431 C THR A 33 -4.743 29.873 2.784 1.00 0.00 C ATOM 432 O THR A 33 -5.806 29.317 3.057 1.00 0.00 O ATOM 433 CB THR A 33 -4.006 30.464 0.474 1.00 0.00 C ATOM 434 OG1 THR A 33 -5.342 30.973 0.401 1.00 0.00 O ATOM 435 CG2 THR A 33 -3.612 29.861 -0.866 1.00 0.00 C ATOM 0 H THR A 33 -4.782 28.096 0.225 1.00 0.00 H new ATOM 0 HA THR A 33 -2.862 29.323 1.907 1.00 0.00 H new ATOM 0 HB THR A 33 -3.320 31.279 0.703 1.00 0.00 H new ATOM 0 HG1 THR A 33 -5.399 31.641 -0.314 1.00 0.00 H new ATOM 0 HG21 THR A 33 -3.692 30.620 -1.644 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.584 29.501 -0.815 1.00 0.00 H new ATOM 0 HG23 THR A 33 -4.277 29.029 -1.100 1.00 0.00 H new ATOM 443 N GLY A 34 -4.258 30.892 3.488 1.00 0.00 N ATOM 444 CA GLY A 34 -4.978 31.408 4.637 1.00 0.00 C ATOM 445 C GLY A 34 -4.052 31.816 5.766 1.00 0.00 C ATOM 446 O GLY A 34 -3.000 31.208 5.966 1.00 0.00 O ATOM 0 H GLY A 34 -3.380 31.369 3.283 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.575 32.268 4.332 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.673 30.649 4.997 1.00 0.00 H new ATOM 450 N SER A 35 -4.442 32.849 6.506 1.00 0.00 N ATOM 451 CA SER A 35 -3.636 33.341 7.617 1.00 0.00 C ATOM 452 C SER A 35 -4.496 33.551 8.860 1.00 0.00 C ATOM 453 O SER A 35 -5.497 34.268 8.840 1.00 0.00 O ATOM 454 CB SER A 35 -2.946 34.651 7.234 1.00 0.00 C ATOM 455 OG SER A 35 -2.203 35.174 8.321 1.00 0.00 O ATOM 0 H SER A 35 -5.311 33.361 6.356 1.00 0.00 H new ATOM 0 HA SER A 35 -2.877 32.592 7.843 1.00 0.00 H new ATOM 0 HB2 SER A 35 -2.284 34.482 6.385 1.00 0.00 H new ATOM 0 HB3 SER A 35 -3.692 35.379 6.916 1.00 0.00 H new ATOM 0 HG SER A 35 -1.771 36.010 8.049 1.00 0.00 H new ATOM 461 N PRO A 36 -4.097 32.911 9.969 1.00 0.00 N ATOM 462 CA PRO A 36 -2.908 32.055 10.005 1.00 0.00 C ATOM 463 C PRO A 36 -3.097 30.766 9.211 1.00 0.00 C ATOM 464 O PRO A 36 -4.220 30.393 8.873 1.00 0.00 O ATOM 465 CB PRO A 36 -2.738 31.745 11.494 1.00 0.00 C ATOM 466 CG PRO A 36 -4.104 31.888 12.069 1.00 0.00 C ATOM 467 CD PRO A 36 -4.777 32.973 11.274 1.00 0.00 C ATOM 0 HA PRO A 36 -2.042 32.542 9.556 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -2.348 30.739 11.647 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -2.036 32.434 11.964 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -4.657 30.952 11.998 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -4.057 32.151 13.126 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -5.848 32.795 11.178 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -4.657 33.949 11.744 1.00 0.00 H new ATOM 475 N VAL A 37 -1.991 30.090 8.917 1.00 0.00 N ATOM 476 CA VAL A 37 -2.036 28.842 8.164 1.00 0.00 C ATOM 477 C VAL A 37 -3.232 27.993 8.579 1.00 0.00 C ATOM 478 O VAL A 37 -3.476 27.755 9.762 1.00 0.00 O ATOM 479 CB VAL A 37 -0.746 28.023 8.359 1.00 0.00 C ATOM 480 CG1 VAL A 37 -0.811 26.727 7.566 1.00 0.00 C ATOM 481 CG2 VAL A 37 0.471 28.842 7.958 1.00 0.00 C ATOM 0 H VAL A 37 -1.053 30.385 9.189 1.00 0.00 H new ATOM 0 HA VAL A 37 -2.132 29.110 7.112 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.653 27.770 9.415 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.109 26.162 7.716 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.660 26.135 7.906 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.928 26.954 6.506 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.373 28.248 8.102 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.388 29.127 6.909 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.525 29.739 8.575 1.00 0.00 H new ATOM 491 N PRO A 38 -3.997 27.523 7.582 1.00 0.00 N ATOM 492 CA PRO A 38 -5.181 26.691 7.819 1.00 0.00 C ATOM 493 C PRO A 38 -4.820 25.300 8.329 1.00 0.00 C ATOM 494 O PRO A 38 -3.749 24.774 8.024 1.00 0.00 O ATOM 495 CB PRO A 38 -5.832 26.601 6.436 1.00 0.00 C ATOM 496 CG PRO A 38 -4.714 26.814 5.476 1.00 0.00 C ATOM 497 CD PRO A 38 -3.765 27.766 6.149 1.00 0.00 C ATOM 0 HA PRO A 38 -5.830 27.114 8.585 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -6.305 25.631 6.284 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -6.608 27.357 6.314 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -4.219 25.872 5.239 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -5.080 27.227 4.536 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -2.730 27.566 5.870 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -3.974 28.801 5.878 1.00 0.00 H new ATOM 505 N THR A 39 -5.720 24.708 9.107 1.00 0.00 N ATOM 506 CA THR A 39 -5.496 23.378 9.660 1.00 0.00 C ATOM 507 C THR A 39 -5.999 22.296 8.711 1.00 0.00 C ATOM 508 O THR A 39 -7.166 22.297 8.317 1.00 0.00 O ATOM 509 CB THR A 39 -6.192 23.213 11.024 1.00 0.00 C ATOM 510 OG1 THR A 39 -5.844 24.301 11.887 1.00 0.00 O ATOM 511 CG2 THR A 39 -5.799 21.896 11.676 1.00 0.00 C ATOM 0 H THR A 39 -6.612 25.129 9.369 1.00 0.00 H new ATOM 0 HA THR A 39 -4.420 23.268 9.794 1.00 0.00 H new ATOM 0 HB THR A 39 -7.269 23.211 10.859 1.00 0.00 H new ATOM 0 HG1 THR A 39 -6.292 24.189 12.751 1.00 0.00 H new ATOM 0 HG21 THR A 39 -6.303 21.802 12.638 1.00 0.00 H new ATOM 0 HG22 THR A 39 -6.092 21.068 11.030 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.720 21.873 11.828 1.00 0.00 H new ATOM 519 N ILE A 40 -5.113 21.375 8.349 1.00 0.00 N ATOM 520 CA ILE A 40 -5.469 20.286 7.448 1.00 0.00 C ATOM 521 C ILE A 40 -5.904 19.049 8.225 1.00 0.00 C ATOM 522 O ILE A 40 -5.261 18.655 9.199 1.00 0.00 O ATOM 523 CB ILE A 40 -4.293 19.912 6.526 1.00 0.00 C ATOM 524 CG1 ILE A 40 -3.856 21.125 5.702 1.00 0.00 C ATOM 525 CG2 ILE A 40 -4.682 18.757 5.614 1.00 0.00 C ATOM 526 CD1 ILE A 40 -4.935 21.650 4.781 1.00 0.00 C ATOM 0 H ILE A 40 -4.143 21.361 8.666 1.00 0.00 H new ATOM 0 HA ILE A 40 -6.301 20.640 6.838 1.00 0.00 H new ATOM 0 HB ILE A 40 -3.453 19.595 7.144 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -3.548 21.922 6.379 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -2.982 20.855 5.108 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.841 18.504 4.968 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -4.949 17.890 6.218 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -5.535 19.049 5.001 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -4.555 22.509 4.228 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -5.227 20.868 4.080 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -5.801 21.951 5.370 1.00 0.00 H new ATOM 538 N LEU A 41 -7.000 18.438 7.789 1.00 0.00 N ATOM 539 CA LEU A 41 -7.522 17.243 8.442 1.00 0.00 C ATOM 540 C LEU A 41 -7.762 16.128 7.429 1.00 0.00 C ATOM 541 O LEU A 41 -7.583 16.321 6.226 1.00 0.00 O ATOM 542 CB LEU A 41 -8.823 17.567 9.178 1.00 0.00 C ATOM 543 CG LEU A 41 -8.677 18.335 10.492 1.00 0.00 C ATOM 544 CD1 LEU A 41 -7.813 17.557 11.473 1.00 0.00 C ATOM 545 CD2 LEU A 41 -8.089 19.716 10.241 1.00 0.00 C ATOM 0 H LEU A 41 -7.545 18.751 6.985 1.00 0.00 H new ATOM 0 HA LEU A 41 -6.779 16.900 9.162 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -9.460 18.147 8.510 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -9.344 16.632 9.383 1.00 0.00 H new ATOM 0 HG LEU A 41 -9.668 18.458 10.930 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.721 18.120 12.402 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -8.275 16.591 11.678 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.824 17.402 11.043 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -7.992 20.248 11.188 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -7.107 19.615 9.780 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -8.746 20.276 9.576 1.00 0.00 H new ATOM 557 N TRP A 42 -8.168 14.964 7.922 1.00 0.00 N ATOM 558 CA TRP A 42 -8.435 13.820 7.059 1.00 0.00 C ATOM 559 C TRP A 42 -9.607 13.000 7.588 1.00 0.00 C ATOM 560 O TRP A 42 -9.719 12.767 8.792 1.00 0.00 O ATOM 561 CB TRP A 42 -7.190 12.939 6.946 1.00 0.00 C ATOM 562 CG TRP A 42 -6.058 13.600 6.220 1.00 0.00 C ATOM 563 CD1 TRP A 42 -4.966 14.201 6.779 1.00 0.00 C ATOM 564 CD2 TRP A 42 -5.908 13.730 4.802 1.00 0.00 C ATOM 565 NE1 TRP A 42 -4.146 14.696 5.793 1.00 0.00 N ATOM 566 CE2 TRP A 42 -4.701 14.419 4.572 1.00 0.00 C ATOM 567 CE3 TRP A 42 -6.675 13.328 3.705 1.00 0.00 C ATOM 568 CZ2 TRP A 42 -4.247 14.715 3.290 1.00 0.00 C ATOM 569 CZ3 TRP A 42 -6.222 13.624 2.433 1.00 0.00 C ATOM 570 CH2 TRP A 42 -5.018 14.311 2.234 1.00 0.00 C ATOM 0 H TRP A 42 -8.320 14.788 8.915 1.00 0.00 H new ATOM 0 HA TRP A 42 -8.697 14.196 6.070 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -6.858 12.662 7.947 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -7.453 12.015 6.430 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -4.775 14.276 7.839 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -3.267 15.190 5.946 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -7.604 12.796 3.848 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -3.319 15.245 3.134 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -6.807 13.320 1.578 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -4.691 14.526 1.227 1.00 0.00 H new ATOM 581 N ARG A 43 -10.476 12.565 6.682 1.00 0.00 N ATOM 582 CA ARG A 43 -11.640 11.772 7.059 1.00 0.00 C ATOM 583 C ARG A 43 -11.596 10.396 6.402 1.00 0.00 C ATOM 584 O ARG A 43 -11.040 10.231 5.316 1.00 0.00 O ATOM 585 CB ARG A 43 -12.928 12.497 6.663 1.00 0.00 C ATOM 586 CG ARG A 43 -13.200 13.747 7.484 1.00 0.00 C ATOM 587 CD ARG A 43 -14.652 14.184 7.367 1.00 0.00 C ATOM 588 NE ARG A 43 -14.878 15.020 6.191 1.00 0.00 N ATOM 589 CZ ARG A 43 -16.084 15.300 5.709 1.00 0.00 C ATOM 590 NH1 ARG A 43 -17.167 14.814 6.300 1.00 0.00 N ATOM 591 NH2 ARG A 43 -16.208 16.068 4.635 1.00 0.00 N ATOM 0 H ARG A 43 -10.396 12.748 5.682 1.00 0.00 H new ATOM 0 HA ARG A 43 -11.623 11.640 8.141 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -12.872 12.770 5.609 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -13.769 11.812 6.771 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -12.959 13.557 8.530 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -12.548 14.553 7.148 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -15.293 13.304 7.315 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -14.939 14.734 8.263 1.00 0.00 H new ATOM 0 HE ARG A 43 -14.065 15.410 5.714 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -17.075 14.224 7.127 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -18.092 15.031 5.928 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -15.377 16.444 4.178 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -17.134 16.282 4.266 1.00 0.00 H new ATOM 605 N LYS A 44 -12.185 9.408 7.069 1.00 0.00 N ATOM 606 CA LYS A 44 -12.214 8.046 6.551 1.00 0.00 C ATOM 607 C LYS A 44 -13.610 7.444 6.681 1.00 0.00 C ATOM 608 O LYS A 44 -13.969 6.904 7.727 1.00 0.00 O ATOM 609 CB LYS A 44 -11.200 7.173 7.295 1.00 0.00 C ATOM 610 CG LYS A 44 -10.806 5.918 6.537 1.00 0.00 C ATOM 611 CD LYS A 44 -10.404 4.799 7.483 1.00 0.00 C ATOM 612 CE LYS A 44 -9.759 3.642 6.735 1.00 0.00 C ATOM 613 NZ LYS A 44 -9.528 2.468 7.622 1.00 0.00 N ATOM 0 H LYS A 44 -12.649 9.526 7.970 1.00 0.00 H new ATOM 0 HA LYS A 44 -11.949 8.081 5.494 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -10.305 7.762 7.496 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -11.618 6.888 8.261 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -11.640 5.589 5.917 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.978 6.143 5.865 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -9.709 5.184 8.229 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -11.283 4.442 8.020 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -10.397 3.348 5.902 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -8.810 3.968 6.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -8.685 1.950 7.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -9.382 2.794 8.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -10.355 1.838 7.587 1.00 0.00 H new ATOM 627 N ASP A 45 -14.392 7.541 5.611 1.00 0.00 N ATOM 628 CA ASP A 45 -15.748 7.004 5.605 1.00 0.00 C ATOM 629 C ASP A 45 -16.680 7.871 6.445 1.00 0.00 C ATOM 630 O ASP A 45 -17.668 7.387 6.994 1.00 0.00 O ATOM 631 CB ASP A 45 -15.753 5.568 6.132 1.00 0.00 C ATOM 632 CG ASP A 45 -17.031 4.830 5.788 1.00 0.00 C ATOM 633 OD1 ASP A 45 -17.319 4.671 4.582 1.00 0.00 O ATOM 634 OD2 ASP A 45 -17.744 4.409 6.723 1.00 0.00 O ATOM 0 H ASP A 45 -14.110 7.986 4.737 1.00 0.00 H new ATOM 0 HA ASP A 45 -16.109 7.006 4.576 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -14.902 5.028 5.716 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -15.624 5.581 7.214 1.00 0.00 H new ATOM 639 N GLY A 46 -16.356 9.157 6.542 1.00 0.00 N ATOM 640 CA GLY A 46 -17.174 10.072 7.318 1.00 0.00 C ATOM 641 C GLY A 46 -16.593 10.346 8.691 1.00 0.00 C ATOM 642 O GLY A 46 -16.792 11.422 9.253 1.00 0.00 O ATOM 0 H GLY A 46 -15.542 9.582 6.097 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -17.276 11.012 6.776 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -18.176 9.656 7.427 1.00 0.00 H new ATOM 646 N VAL A 47 -15.874 9.368 9.233 1.00 0.00 N ATOM 647 CA VAL A 47 -15.262 9.509 10.549 1.00 0.00 C ATOM 648 C VAL A 47 -13.837 10.040 10.440 1.00 0.00 C ATOM 649 O VAL A 47 -13.026 9.517 9.675 1.00 0.00 O ATOM 650 CB VAL A 47 -15.242 8.167 11.305 1.00 0.00 C ATOM 651 CG1 VAL A 47 -14.626 7.077 10.441 1.00 0.00 C ATOM 652 CG2 VAL A 47 -14.488 8.307 12.619 1.00 0.00 C ATOM 0 H VAL A 47 -15.701 8.470 8.781 1.00 0.00 H new ATOM 0 HA VAL A 47 -15.870 10.222 11.105 1.00 0.00 H new ATOM 0 HB VAL A 47 -16.269 7.881 11.531 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -14.620 6.136 10.991 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -15.212 6.961 9.529 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -13.604 7.352 10.182 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -14.484 7.350 13.140 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -13.462 8.616 12.419 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -14.977 9.056 13.241 1.00 0.00 H new ATOM 662 N LEU A 48 -13.539 11.081 11.209 1.00 0.00 N ATOM 663 CA LEU A 48 -12.210 11.683 11.200 1.00 0.00 C ATOM 664 C LEU A 48 -11.128 10.617 11.342 1.00 0.00 C ATOM 665 O LEU A 48 -11.076 9.900 12.341 1.00 0.00 O ATOM 666 CB LEU A 48 -12.085 12.707 12.329 1.00 0.00 C ATOM 667 CG LEU A 48 -12.429 14.152 11.966 1.00 0.00 C ATOM 668 CD1 LEU A 48 -11.351 14.749 11.075 1.00 0.00 C ATOM 669 CD2 LEU A 48 -13.787 14.222 11.283 1.00 0.00 C ATOM 0 H LEU A 48 -14.199 11.526 11.847 1.00 0.00 H new ATOM 0 HA LEU A 48 -12.073 12.188 10.244 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -12.733 12.395 13.148 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -11.062 12.681 12.704 1.00 0.00 H new ATOM 0 HG LEU A 48 -12.477 14.736 12.885 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -11.613 15.778 10.827 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -10.396 14.734 11.600 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -11.271 14.164 10.159 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -14.015 15.258 11.032 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -13.767 13.624 10.372 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -14.553 13.835 11.955 1.00 0.00 H new ATOM 681 N VAL A 49 -10.264 10.521 10.336 1.00 0.00 N ATOM 682 CA VAL A 49 -9.181 9.545 10.351 1.00 0.00 C ATOM 683 C VAL A 49 -8.575 9.417 11.744 1.00 0.00 C ATOM 684 O VAL A 49 -8.519 10.387 12.499 1.00 0.00 O ATOM 685 CB VAL A 49 -8.070 9.925 9.353 1.00 0.00 C ATOM 686 CG1 VAL A 49 -7.242 11.081 9.891 1.00 0.00 C ATOM 687 CG2 VAL A 49 -7.190 8.721 9.053 1.00 0.00 C ATOM 0 H VAL A 49 -10.293 11.107 9.501 1.00 0.00 H new ATOM 0 HA VAL A 49 -9.613 8.588 10.057 1.00 0.00 H new ATOM 0 HB VAL A 49 -8.536 10.247 8.421 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.462 11.335 9.173 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -7.885 11.946 10.050 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.784 10.791 10.837 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -6.411 9.007 8.347 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.731 8.367 9.976 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -7.797 7.925 8.621 1.00 0.00 H new ATOM 697 N SER A 50 -8.121 8.213 12.077 1.00 0.00 N ATOM 698 CA SER A 50 -7.521 7.957 13.381 1.00 0.00 C ATOM 699 C SER A 50 -6.004 8.105 13.321 1.00 0.00 C ATOM 700 O SER A 50 -5.283 7.142 13.058 1.00 0.00 O ATOM 701 CB SER A 50 -7.889 6.553 13.868 1.00 0.00 C ATOM 702 OG SER A 50 -9.090 6.573 14.620 1.00 0.00 O ATOM 0 H SER A 50 -8.157 7.400 11.462 1.00 0.00 H new ATOM 0 HA SER A 50 -7.912 8.693 14.084 1.00 0.00 H new ATOM 0 HB2 SER A 50 -8.002 5.886 13.013 1.00 0.00 H new ATOM 0 HB3 SER A 50 -7.080 6.153 14.479 1.00 0.00 H new ATOM 0 HG SER A 50 -9.304 5.664 14.918 1.00 0.00 H new ATOM 708 N THR A 51 -5.524 9.321 13.566 1.00 0.00 N ATOM 709 CA THR A 51 -4.094 9.598 13.538 1.00 0.00 C ATOM 710 C THR A 51 -3.423 9.156 14.834 1.00 0.00 C ATOM 711 O THR A 51 -2.646 9.904 15.426 1.00 0.00 O ATOM 712 CB THR A 51 -3.816 11.096 13.314 1.00 0.00 C ATOM 713 OG1 THR A 51 -4.657 11.600 12.270 1.00 0.00 O ATOM 714 CG2 THR A 51 -2.356 11.328 12.953 1.00 0.00 C ATOM 0 H THR A 51 -6.106 10.129 13.786 1.00 0.00 H new ATOM 0 HA THR A 51 -3.678 9.031 12.705 1.00 0.00 H new ATOM 0 HB THR A 51 -4.033 11.626 14.242 1.00 0.00 H new ATOM 0 HG1 THR A 51 -4.475 12.553 12.135 1.00 0.00 H new ATOM 0 HG21 THR A 51 -2.184 12.393 12.800 1.00 0.00 H new ATOM 0 HG22 THR A 51 -1.720 10.971 13.763 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.117 10.786 12.038 1.00 0.00 H new ATOM 722 N GLN A 52 -3.728 7.937 15.267 1.00 0.00 N ATOM 723 CA GLN A 52 -3.154 7.397 16.493 1.00 0.00 C ATOM 724 C GLN A 52 -2.301 6.168 16.199 1.00 0.00 C ATOM 725 O GLN A 52 -1.256 5.963 16.817 1.00 0.00 O ATOM 726 CB GLN A 52 -4.261 7.038 17.485 1.00 0.00 C ATOM 727 CG GLN A 52 -4.931 8.250 18.114 1.00 0.00 C ATOM 728 CD GLN A 52 -5.687 7.906 19.382 1.00 0.00 C ATOM 729 OE1 GLN A 52 -6.912 7.778 19.374 1.00 0.00 O ATOM 730 NE2 GLN A 52 -4.959 7.754 20.482 1.00 0.00 N ATOM 0 H GLN A 52 -4.369 7.305 14.787 1.00 0.00 H new ATOM 0 HA GLN A 52 -2.516 8.163 16.933 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -5.016 6.440 16.974 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -3.842 6.414 18.275 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -4.175 9.002 18.339 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -5.619 8.694 17.395 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -3.946 7.869 20.443 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.412 7.522 21.366 1.00 0.00 H new ATOM 739 N ASP A 53 -2.753 5.353 15.253 1.00 0.00 N ATOM 740 CA ASP A 53 -2.030 4.143 14.876 1.00 0.00 C ATOM 741 C ASP A 53 -0.755 4.487 14.113 1.00 0.00 C ATOM 742 O ASP A 53 -0.782 5.260 13.155 1.00 0.00 O ATOM 743 CB ASP A 53 -2.920 3.237 14.024 1.00 0.00 C ATOM 744 CG ASP A 53 -2.390 1.819 13.939 1.00 0.00 C ATOM 745 OD1 ASP A 53 -2.658 1.029 14.868 1.00 0.00 O ATOM 746 OD2 ASP A 53 -1.705 1.499 12.944 1.00 0.00 O ATOM 0 H ASP A 53 -3.617 5.508 14.733 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.754 3.615 15.789 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.926 3.221 14.444 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.001 3.652 13.020 1.00 0.00 H new ATOM 751 N SER A 54 0.362 3.910 14.546 1.00 0.00 N ATOM 752 CA SER A 54 1.649 4.159 13.907 1.00 0.00 C ATOM 753 C SER A 54 1.504 4.190 12.389 1.00 0.00 C ATOM 754 O SER A 54 2.113 5.020 11.713 1.00 0.00 O ATOM 755 CB SER A 54 2.660 3.085 14.313 1.00 0.00 C ATOM 756 OG SER A 54 2.171 1.788 14.022 1.00 0.00 O ATOM 0 H SER A 54 0.401 3.267 15.337 1.00 0.00 H new ATOM 0 HA SER A 54 2.011 5.132 14.240 1.00 0.00 H new ATOM 0 HB2 SER A 54 3.600 3.249 13.787 1.00 0.00 H new ATOM 0 HB3 SER A 54 2.873 3.166 15.379 1.00 0.00 H new ATOM 0 HG SER A 54 2.836 1.120 14.289 1.00 0.00 H new ATOM 762 N ARG A 55 0.695 3.279 11.859 1.00 0.00 N ATOM 763 CA ARG A 55 0.471 3.200 10.420 1.00 0.00 C ATOM 764 C ARG A 55 0.248 4.588 9.828 1.00 0.00 C ATOM 765 O ARG A 55 0.879 4.960 8.839 1.00 0.00 O ATOM 766 CB ARG A 55 -0.732 2.305 10.119 1.00 0.00 C ATOM 767 CG ARG A 55 -0.430 0.820 10.230 1.00 0.00 C ATOM 768 CD ARG A 55 -1.489 -0.018 9.531 1.00 0.00 C ATOM 769 NE ARG A 55 -2.842 0.391 9.899 1.00 0.00 N ATOM 770 CZ ARG A 55 -3.552 1.282 9.216 1.00 0.00 C ATOM 771 NH1 ARG A 55 -3.041 1.853 8.134 1.00 0.00 N ATOM 772 NH2 ARG A 55 -4.776 1.602 9.614 1.00 0.00 N ATOM 0 H ARG A 55 0.184 2.585 12.404 1.00 0.00 H new ATOM 0 HA ARG A 55 1.360 2.768 9.962 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -1.541 2.555 10.806 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -1.091 2.520 9.112 1.00 0.00 H new ATOM 0 HG2 ARG A 55 0.547 0.613 9.793 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -0.375 0.536 11.281 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -1.365 0.068 8.452 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -1.346 -1.068 9.785 1.00 0.00 H new ATOM 0 HE ARG A 55 -3.265 -0.031 10.726 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -2.100 1.608 7.824 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -3.588 2.537 7.611 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -5.173 1.164 10.445 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -5.320 2.286 9.089 1.00 0.00 H new ATOM 786 N ILE A 56 -0.654 5.349 10.439 1.00 0.00 N ATOM 787 CA ILE A 56 -0.960 6.695 9.973 1.00 0.00 C ATOM 788 C ILE A 56 -0.229 7.744 10.804 1.00 0.00 C ATOM 789 O ILE A 56 -0.462 7.874 12.006 1.00 0.00 O ATOM 790 CB ILE A 56 -2.473 6.979 10.024 1.00 0.00 C ATOM 791 CG1 ILE A 56 -3.232 5.974 9.155 1.00 0.00 C ATOM 792 CG2 ILE A 56 -2.761 8.403 9.572 1.00 0.00 C ATOM 793 CD1 ILE A 56 -3.647 4.724 9.899 1.00 0.00 C ATOM 0 H ILE A 56 -1.186 5.056 11.258 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.622 6.754 8.938 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.813 6.870 11.054 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -4.121 6.456 8.748 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.606 5.692 8.308 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.834 8.588 9.614 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -2.246 9.104 10.229 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -2.409 8.538 8.549 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -4.180 4.057 9.221 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.761 4.218 10.283 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -4.299 4.994 10.729 1.00 0.00 H new ATOM 805 N LYS A 57 0.656 8.493 10.155 1.00 0.00 N ATOM 806 CA LYS A 57 1.420 9.534 10.831 1.00 0.00 C ATOM 807 C LYS A 57 1.489 10.799 9.981 1.00 0.00 C ATOM 808 O LYS A 57 1.593 10.728 8.757 1.00 0.00 O ATOM 809 CB LYS A 57 2.834 9.038 11.141 1.00 0.00 C ATOM 810 CG LYS A 57 3.681 10.047 11.898 1.00 0.00 C ATOM 811 CD LYS A 57 5.087 9.525 12.140 1.00 0.00 C ATOM 812 CE LYS A 57 6.045 10.650 12.502 1.00 0.00 C ATOM 813 NZ LYS A 57 7.332 10.130 13.042 1.00 0.00 N ATOM 0 H LYS A 57 0.862 8.398 9.160 1.00 0.00 H new ATOM 0 HA LYS A 57 0.912 9.773 11.765 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.768 8.120 11.726 1.00 0.00 H new ATOM 0 HB3 LYS A 57 3.334 8.785 10.206 1.00 0.00 H new ATOM 0 HG2 LYS A 57 3.730 10.978 11.334 1.00 0.00 H new ATOM 0 HG3 LYS A 57 3.208 10.277 12.853 1.00 0.00 H new ATOM 0 HD2 LYS A 57 5.069 8.788 12.943 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.445 9.014 11.246 1.00 0.00 H new ATOM 0 HE2 LYS A 57 6.241 11.258 11.619 1.00 0.00 H new ATOM 0 HE3 LYS A 57 5.578 11.301 13.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 7.957 10.927 13.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 7.148 9.570 13.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 7.791 9.529 12.328 1.00 0.00 H new ATOM 827 N GLN A 58 1.431 11.953 10.638 1.00 0.00 N ATOM 828 CA GLN A 58 1.488 13.232 9.941 1.00 0.00 C ATOM 829 C GLN A 58 2.931 13.693 9.765 1.00 0.00 C ATOM 830 O GLN A 58 3.587 14.096 10.726 1.00 0.00 O ATOM 831 CB GLN A 58 0.692 14.290 10.708 1.00 0.00 C ATOM 832 CG GLN A 58 -0.774 14.354 10.312 1.00 0.00 C ATOM 833 CD GLN A 58 -1.397 15.706 10.597 1.00 0.00 C ATOM 834 OE1 GLN A 58 -1.711 16.028 11.743 1.00 0.00 O ATOM 835 NE2 GLN A 58 -1.580 16.506 9.553 1.00 0.00 N ATOM 0 H GLN A 58 1.345 12.028 11.652 1.00 0.00 H new ATOM 0 HA GLN A 58 1.046 13.099 8.954 1.00 0.00 H new ATOM 0 HB2 GLN A 58 0.763 14.082 11.776 1.00 0.00 H new ATOM 0 HB3 GLN A 58 1.147 15.266 10.542 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -0.869 14.131 9.249 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -1.326 13.583 10.850 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -1.305 16.198 8.620 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -1.996 17.428 9.684 1.00 0.00 H new ATOM 844 N LEU A 59 3.420 13.630 8.531 1.00 0.00 N ATOM 845 CA LEU A 59 4.787 14.041 8.228 1.00 0.00 C ATOM 846 C LEU A 59 4.913 15.561 8.237 1.00 0.00 C ATOM 847 O LEU A 59 5.786 16.116 8.903 1.00 0.00 O ATOM 848 CB LEU A 59 5.216 13.489 6.868 1.00 0.00 C ATOM 849 CG LEU A 59 5.060 11.980 6.675 1.00 0.00 C ATOM 850 CD1 LEU A 59 5.557 11.232 7.902 1.00 0.00 C ATOM 851 CD2 LEU A 59 3.609 11.627 6.384 1.00 0.00 C ATOM 0 H LEU A 59 2.891 13.299 7.725 1.00 0.00 H new ATOM 0 HA LEU A 59 5.442 13.637 9.000 1.00 0.00 H new ATOM 0 HB2 LEU A 59 4.639 13.995 6.095 1.00 0.00 H new ATOM 0 HB3 LEU A 59 6.262 13.749 6.707 1.00 0.00 H new ATOM 0 HG LEU A 59 5.665 11.677 5.820 1.00 0.00 H new ATOM 0 HD11 LEU A 59 5.438 10.160 7.747 1.00 0.00 H new ATOM 0 HD12 LEU A 59 6.610 11.461 8.066 1.00 0.00 H new ATOM 0 HD13 LEU A 59 4.979 11.539 8.774 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.517 10.549 6.249 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.983 11.943 7.218 1.00 0.00 H new ATOM 0 HD23 LEU A 59 3.286 12.135 5.475 1.00 0.00 H new ATOM 863 N GLU A 60 4.035 16.227 7.494 1.00 0.00 N ATOM 864 CA GLU A 60 4.048 17.683 7.418 1.00 0.00 C ATOM 865 C GLU A 60 2.628 18.239 7.376 1.00 0.00 C ATOM 866 O GLU A 60 1.655 17.487 7.412 1.00 0.00 O ATOM 867 CB GLU A 60 4.825 18.144 6.183 1.00 0.00 C ATOM 868 CG GLU A 60 6.217 17.543 6.079 1.00 0.00 C ATOM 869 CD GLU A 60 7.191 18.450 5.354 1.00 0.00 C ATOM 870 OE1 GLU A 60 7.239 18.395 4.107 1.00 0.00 O ATOM 871 OE2 GLU A 60 7.906 19.217 6.034 1.00 0.00 O ATOM 0 H GLU A 60 3.306 15.782 6.936 1.00 0.00 H new ATOM 0 HA GLU A 60 4.542 18.063 8.312 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.258 17.883 5.289 1.00 0.00 H new ATOM 0 HB3 GLU A 60 4.908 19.231 6.201 1.00 0.00 H new ATOM 0 HG2 GLU A 60 6.595 17.336 7.080 1.00 0.00 H new ATOM 0 HG3 GLU A 60 6.158 16.588 5.557 1.00 0.00 H new ATOM 878 N ASN A 61 2.518 19.561 7.299 1.00 0.00 N ATOM 879 CA ASN A 61 1.217 20.219 7.253 1.00 0.00 C ATOM 880 C ASN A 61 0.380 19.687 6.094 1.00 0.00 C ATOM 881 O ASN A 61 0.599 20.049 4.939 1.00 0.00 O ATOM 882 CB ASN A 61 1.392 21.733 7.119 1.00 0.00 C ATOM 883 CG ASN A 61 2.029 22.126 5.800 1.00 0.00 C ATOM 884 OD1 ASN A 61 1.338 22.342 4.804 1.00 0.00 O ATOM 885 ND2 ASN A 61 3.354 22.221 5.788 1.00 0.00 N ATOM 0 H ASN A 61 3.314 20.198 7.267 1.00 0.00 H new ATOM 0 HA ASN A 61 0.694 20.002 8.185 1.00 0.00 H new ATOM 0 HB2 ASN A 61 0.420 22.218 7.209 1.00 0.00 H new ATOM 0 HB3 ASN A 61 2.008 22.099 7.940 1.00 0.00 H new ATOM 0 HD21 ASN A 61 3.839 22.482 4.929 1.00 0.00 H new ATOM 0 HD22 ASN A 61 3.887 22.033 6.637 1.00 0.00 H new ATOM 892 N GLY A 62 -0.582 18.826 6.412 1.00 0.00 N ATOM 893 CA GLY A 62 -1.439 18.259 5.387 1.00 0.00 C ATOM 894 C GLY A 62 -0.863 16.991 4.786 1.00 0.00 C ATOM 895 O GLY A 62 -1.600 16.150 4.271 1.00 0.00 O ATOM 0 H GLY A 62 -0.783 18.511 7.361 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.418 18.043 5.815 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -1.592 18.995 4.598 1.00 0.00 H new ATOM 899 N VAL A 63 0.457 16.854 4.851 1.00 0.00 N ATOM 900 CA VAL A 63 1.132 15.681 4.309 1.00 0.00 C ATOM 901 C VAL A 63 0.958 14.475 5.225 1.00 0.00 C ATOM 902 O VAL A 63 1.563 14.403 6.296 1.00 0.00 O ATOM 903 CB VAL A 63 2.635 15.943 4.102 1.00 0.00 C ATOM 904 CG1 VAL A 63 3.290 14.767 3.392 1.00 0.00 C ATOM 905 CG2 VAL A 63 2.849 17.232 3.324 1.00 0.00 C ATOM 0 H VAL A 63 1.081 17.541 5.274 1.00 0.00 H new ATOM 0 HA VAL A 63 0.672 15.469 3.344 1.00 0.00 H new ATOM 0 HB VAL A 63 3.104 16.053 5.080 1.00 0.00 H new ATOM 0 HG11 VAL A 63 4.352 14.971 3.255 1.00 0.00 H new ATOM 0 HG12 VAL A 63 3.168 13.866 3.993 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.820 14.621 2.420 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.917 17.401 3.187 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.366 17.153 2.350 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.417 18.066 3.877 1.00 0.00 H new ATOM 915 N LEU A 64 0.129 13.529 4.799 1.00 0.00 N ATOM 916 CA LEU A 64 -0.125 12.324 5.581 1.00 0.00 C ATOM 917 C LEU A 64 0.142 11.071 4.753 1.00 0.00 C ATOM 918 O LEU A 64 -0.231 10.998 3.583 1.00 0.00 O ATOM 919 CB LEU A 64 -1.568 12.316 6.088 1.00 0.00 C ATOM 920 CG LEU A 64 -1.972 11.114 6.943 1.00 0.00 C ATOM 921 CD1 LEU A 64 -1.686 11.385 8.412 1.00 0.00 C ATOM 922 CD2 LEU A 64 -3.442 10.782 6.736 1.00 0.00 C ATOM 0 H LEU A 64 -0.379 13.573 3.916 1.00 0.00 H new ATOM 0 HA LEU A 64 0.553 12.325 6.434 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.732 13.223 6.670 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.235 12.365 5.227 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.379 10.254 6.631 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.980 10.519 9.006 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.621 11.573 8.547 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.252 12.257 8.738 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.712 9.924 7.352 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.052 11.639 7.020 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.617 10.544 5.687 1.00 0.00 H new ATOM 934 N GLN A 65 0.789 10.087 5.370 1.00 0.00 N ATOM 935 CA GLN A 65 1.105 8.837 4.689 1.00 0.00 C ATOM 936 C GLN A 65 0.529 7.645 5.447 1.00 0.00 C ATOM 937 O GLN A 65 0.653 7.555 6.668 1.00 0.00 O ATOM 938 CB GLN A 65 2.619 8.680 4.543 1.00 0.00 C ATOM 939 CG GLN A 65 3.028 7.477 3.707 1.00 0.00 C ATOM 940 CD GLN A 65 4.456 7.042 3.970 1.00 0.00 C ATOM 941 OE1 GLN A 65 4.695 6.473 5.145 1.00 0.00 O flip ATOM 942 NE2 GLN A 65 5.336 7.216 3.125 1.00 0.00 N flip ATOM 0 H GLN A 65 1.104 10.131 6.339 1.00 0.00 H new ATOM 0 HA GLN A 65 0.653 8.868 3.698 1.00 0.00 H new ATOM 0 HB2 GLN A 65 3.028 9.583 4.089 1.00 0.00 H new ATOM 0 HB3 GLN A 65 3.064 8.592 5.534 1.00 0.00 H new ATOM 0 HG2 GLN A 65 2.354 6.647 3.918 1.00 0.00 H new ATOM 0 HG3 GLN A 65 2.915 7.718 2.650 1.00 0.00 H new ATOM 0 HE21 GLN A 65 5.108 7.658 2.234 1.00 0.00 H new ATOM 0 HE22 GLN A 65 6.293 6.918 3.316 1.00 0.00 H new ATOM 951 N ILE A 66 -0.101 6.733 4.714 1.00 0.00 N ATOM 952 CA ILE A 66 -0.695 5.546 5.317 1.00 0.00 C ATOM 953 C ILE A 66 -0.081 4.273 4.745 1.00 0.00 C ATOM 954 O ILE A 66 -0.441 3.834 3.653 1.00 0.00 O ATOM 955 CB ILE A 66 -2.219 5.509 5.101 1.00 0.00 C ATOM 956 CG1 ILE A 66 -2.882 6.711 5.777 1.00 0.00 C ATOM 957 CG2 ILE A 66 -2.798 4.208 5.637 1.00 0.00 C ATOM 958 CD1 ILE A 66 -3.000 7.921 4.877 1.00 0.00 C ATOM 0 H ILE A 66 -0.213 6.793 3.702 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.488 5.597 6.386 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.421 5.561 4.031 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -3.877 6.423 6.118 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -2.308 6.982 6.663 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.876 4.196 5.477 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -2.345 3.366 5.115 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.588 4.129 6.704 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.479 8.734 5.422 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.006 8.235 4.557 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.600 7.667 4.003 1.00 0.00 H new ATOM 970 N ARG A 67 0.848 3.684 5.492 1.00 0.00 N ATOM 971 CA ARG A 67 1.512 2.460 5.060 1.00 0.00 C ATOM 972 C ARG A 67 0.663 1.235 5.389 1.00 0.00 C ATOM 973 O ARG A 67 -0.182 1.276 6.284 1.00 0.00 O ATOM 974 CB ARG A 67 2.884 2.337 5.725 1.00 0.00 C ATOM 975 CG ARG A 67 3.959 3.185 5.066 1.00 0.00 C ATOM 976 CD ARG A 67 5.217 3.250 5.917 1.00 0.00 C ATOM 977 NE ARG A 67 6.249 4.083 5.306 1.00 0.00 N ATOM 978 CZ ARG A 67 7.366 4.445 5.927 1.00 0.00 C ATOM 979 NH1 ARG A 67 7.594 4.047 7.172 1.00 0.00 N ATOM 980 NH2 ARG A 67 8.258 5.204 5.304 1.00 0.00 N ATOM 0 H ARG A 67 1.157 4.035 6.398 1.00 0.00 H new ATOM 0 HA ARG A 67 1.643 2.510 3.979 1.00 0.00 H new ATOM 0 HB2 ARG A 67 2.798 2.625 6.773 1.00 0.00 H new ATOM 0 HB3 ARG A 67 3.195 1.292 5.706 1.00 0.00 H new ATOM 0 HG2 ARG A 67 4.202 2.771 4.087 1.00 0.00 H new ATOM 0 HG3 ARG A 67 3.578 4.193 4.900 1.00 0.00 H new ATOM 0 HD2 ARG A 67 4.968 3.645 6.902 1.00 0.00 H new ATOM 0 HD3 ARG A 67 5.606 2.243 6.067 1.00 0.00 H new ATOM 0 HE ARG A 67 6.104 4.405 4.349 1.00 0.00 H new ATOM 0 HH11 ARG A 67 6.911 3.462 7.654 1.00 0.00 H new ATOM 0 HH12 ARG A 67 8.452 4.326 7.647 1.00 0.00 H new ATOM 0 HH21 ARG A 67 8.087 5.511 4.346 1.00 0.00 H new ATOM 0 HH22 ARG A 67 9.115 5.481 5.783 1.00 0.00 H new ATOM 994 N TYR A 68 0.894 0.149 4.661 1.00 0.00 N ATOM 995 CA TYR A 68 0.149 -1.086 4.873 1.00 0.00 C ATOM 996 C TYR A 68 -1.342 -0.873 4.626 1.00 0.00 C ATOM 997 O TYR A 68 -2.177 -1.232 5.455 1.00 0.00 O ATOM 998 CB TYR A 68 0.373 -1.603 6.295 1.00 0.00 C ATOM 999 CG TYR A 68 1.764 -2.145 6.530 1.00 0.00 C ATOM 1000 CD1 TYR A 68 2.821 -1.294 6.831 1.00 0.00 C ATOM 1001 CD2 TYR A 68 2.023 -3.508 6.451 1.00 0.00 C ATOM 1002 CE1 TYR A 68 4.094 -1.785 7.046 1.00 0.00 C ATOM 1003 CE2 TYR A 68 3.293 -4.008 6.666 1.00 0.00 C ATOM 1004 CZ TYR A 68 4.325 -3.142 6.963 1.00 0.00 C ATOM 1005 OH TYR A 68 5.592 -3.636 7.176 1.00 0.00 O ATOM 0 H TYR A 68 1.592 0.099 3.918 1.00 0.00 H new ATOM 0 HA TYR A 68 0.514 -1.827 4.162 1.00 0.00 H new ATOM 0 HB2 TYR A 68 0.183 -0.794 7.001 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -0.354 -2.387 6.506 1.00 0.00 H new ATOM 0 HD1 TYR A 68 2.644 -0.231 6.898 1.00 0.00 H new ATOM 0 HD2 TYR A 68 1.217 -4.188 6.217 1.00 0.00 H new ATOM 0 HE1 TYR A 68 4.904 -1.110 7.278 1.00 0.00 H new ATOM 0 HE2 TYR A 68 3.477 -5.070 6.602 1.00 0.00 H new ATOM 0 HH TYR A 68 5.583 -4.611 7.081 1.00 0.00 H new ATOM 1015 N ALA A 69 -1.666 -0.286 3.479 1.00 0.00 N ATOM 1016 CA ALA A 69 -3.055 -0.026 3.120 1.00 0.00 C ATOM 1017 C ALA A 69 -3.838 -1.327 2.978 1.00 0.00 C ATOM 1018 O ALA A 69 -3.756 -2.005 1.953 1.00 0.00 O ATOM 1019 CB ALA A 69 -3.125 0.778 1.830 1.00 0.00 C ATOM 0 H ALA A 69 -0.986 0.019 2.782 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.509 0.555 3.923 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.168 0.965 1.574 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.609 1.728 1.965 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.649 0.217 1.026 1.00 0.00 H new ATOM 1025 N LYS A 70 -4.596 -1.672 4.014 1.00 0.00 N ATOM 1026 CA LYS A 70 -5.394 -2.892 4.005 1.00 0.00 C ATOM 1027 C LYS A 70 -6.630 -2.728 3.126 1.00 0.00 C ATOM 1028 O LYS A 70 -6.963 -1.618 2.707 1.00 0.00 O ATOM 1029 CB LYS A 70 -5.815 -3.261 5.430 1.00 0.00 C ATOM 1030 CG LYS A 70 -4.653 -3.344 6.405 1.00 0.00 C ATOM 1031 CD LYS A 70 -5.137 -3.470 7.839 1.00 0.00 C ATOM 1032 CE LYS A 70 -5.431 -2.109 8.451 1.00 0.00 C ATOM 1033 NZ LYS A 70 -6.212 -2.225 9.713 1.00 0.00 N ATOM 0 H LYS A 70 -4.674 -1.123 4.870 1.00 0.00 H new ATOM 0 HA LYS A 70 -4.781 -3.694 3.594 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -6.530 -2.522 5.792 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -6.331 -4.221 5.410 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -4.027 -4.201 6.155 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -4.030 -2.455 6.307 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -6.037 -4.085 7.868 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.382 -3.982 8.435 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -4.493 -1.591 8.651 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -5.985 -1.501 7.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -6.392 -1.276 10.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -7.118 -2.697 9.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -5.673 -2.783 10.405 1.00 0.00 H new ATOM 1047 N LEU A 71 -7.306 -3.837 2.851 1.00 0.00 N ATOM 1048 CA LEU A 71 -8.507 -3.816 2.022 1.00 0.00 C ATOM 1049 C LEU A 71 -9.581 -2.928 2.642 1.00 0.00 C ATOM 1050 O LEU A 71 -10.307 -2.229 1.937 1.00 0.00 O ATOM 1051 CB LEU A 71 -9.047 -5.235 1.835 1.00 0.00 C ATOM 1052 CG LEU A 71 -8.253 -6.136 0.889 1.00 0.00 C ATOM 1053 CD1 LEU A 71 -8.660 -7.590 1.070 1.00 0.00 C ATOM 1054 CD2 LEU A 71 -8.454 -5.700 -0.555 1.00 0.00 C ATOM 0 H LEU A 71 -7.044 -4.763 3.190 1.00 0.00 H new ATOM 0 HA LEU A 71 -8.239 -3.405 1.049 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.091 -5.717 2.812 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -10.070 -5.167 1.466 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.194 -6.044 1.132 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.084 -8.216 0.389 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.465 -7.897 2.097 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -9.723 -7.700 0.854 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.882 -6.352 -1.215 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -9.512 -5.763 -0.810 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -8.113 -4.672 -0.676 1.00 0.00 H new ATOM 1066 N GLY A 72 -9.675 -2.960 3.968 1.00 0.00 N ATOM 1067 CA GLY A 72 -10.661 -2.152 4.662 1.00 0.00 C ATOM 1068 C GLY A 72 -10.394 -0.666 4.524 1.00 0.00 C ATOM 1069 O GLY A 72 -11.323 0.142 4.539 1.00 0.00 O ATOM 0 H GLY A 72 -9.086 -3.531 4.574 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -11.653 -2.378 4.270 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -10.668 -2.420 5.718 1.00 0.00 H new ATOM 1073 N ASP A 73 -9.123 -0.305 4.391 1.00 0.00 N ATOM 1074 CA ASP A 73 -8.737 1.094 4.250 1.00 0.00 C ATOM 1075 C ASP A 73 -9.505 1.759 3.112 1.00 0.00 C ATOM 1076 O ASP A 73 -9.857 2.936 3.190 1.00 0.00 O ATOM 1077 CB ASP A 73 -7.232 1.207 4.001 1.00 0.00 C ATOM 1078 CG ASP A 73 -6.413 0.849 5.226 1.00 0.00 C ATOM 1079 OD1 ASP A 73 -6.186 -0.357 5.455 1.00 0.00 O ATOM 1080 OD2 ASP A 73 -6.001 1.775 5.956 1.00 0.00 O ATOM 0 H ASP A 73 -8.342 -0.961 4.378 1.00 0.00 H new ATOM 0 HA ASP A 73 -8.984 1.608 5.179 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -6.953 0.551 3.177 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -6.993 2.225 3.693 1.00 0.00 H new ATOM 1085 N THR A 74 -9.761 0.996 2.054 1.00 0.00 N ATOM 1086 CA THR A 74 -10.485 1.511 0.898 1.00 0.00 C ATOM 1087 C THR A 74 -11.583 2.480 1.324 1.00 0.00 C ATOM 1088 O THR A 74 -12.686 2.067 1.678 1.00 0.00 O ATOM 1089 CB THR A 74 -11.114 0.371 0.075 1.00 0.00 C ATOM 1090 OG1 THR A 74 -10.168 -0.690 -0.094 1.00 0.00 O ATOM 1091 CG2 THR A 74 -11.568 0.873 -1.287 1.00 0.00 C ATOM 0 H THR A 74 -9.478 0.019 1.974 1.00 0.00 H new ATOM 0 HA THR A 74 -9.758 2.038 0.279 1.00 0.00 H new ATOM 0 HB THR A 74 -11.984 -0.000 0.616 1.00 0.00 H new ATOM 0 HG1 THR A 74 -10.284 -1.349 0.622 1.00 0.00 H new ATOM 0 HG21 THR A 74 -12.009 0.050 -1.850 1.00 0.00 H new ATOM 0 HG22 THR A 74 -12.310 1.661 -1.156 1.00 0.00 H new ATOM 0 HG23 THR A 74 -10.711 1.268 -1.833 1.00 0.00 H new ATOM 1099 N GLY A 75 -11.272 3.772 1.287 1.00 0.00 N ATOM 1100 CA GLY A 75 -12.243 4.780 1.671 1.00 0.00 C ATOM 1101 C GLY A 75 -12.051 6.085 0.925 1.00 0.00 C ATOM 1102 O GLY A 75 -11.144 6.209 0.102 1.00 0.00 O ATOM 0 H GLY A 75 -10.365 4.139 0.998 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -13.248 4.402 1.483 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -12.167 4.963 2.743 1.00 0.00 H new ATOM 1106 N ARG A 76 -12.906 7.061 1.212 1.00 0.00 N ATOM 1107 CA ARG A 76 -12.828 8.362 0.560 1.00 0.00 C ATOM 1108 C ARG A 76 -12.191 9.396 1.484 1.00 0.00 C ATOM 1109 O ARG A 76 -12.834 9.899 2.406 1.00 0.00 O ATOM 1110 CB ARG A 76 -14.222 8.830 0.137 1.00 0.00 C ATOM 1111 CG ARG A 76 -14.674 8.265 -1.199 1.00 0.00 C ATOM 1112 CD ARG A 76 -15.284 6.881 -1.042 1.00 0.00 C ATOM 1113 NE ARG A 76 -16.512 6.911 -0.252 1.00 0.00 N ATOM 1114 CZ ARG A 76 -16.989 5.860 0.405 1.00 0.00 C ATOM 1115 NH1 ARG A 76 -16.344 4.702 0.368 1.00 0.00 N ATOM 1116 NH2 ARG A 76 -18.114 5.965 1.102 1.00 0.00 N ATOM 0 H ARG A 76 -13.661 6.975 1.892 1.00 0.00 H new ATOM 0 HA ARG A 76 -12.203 8.258 -0.327 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -14.941 8.544 0.905 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -14.230 9.919 0.083 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -15.404 8.936 -1.651 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -13.824 8.214 -1.880 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -15.496 6.465 -2.027 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -14.562 6.218 -0.565 1.00 0.00 H new ATOM 0 HE ARG A 76 -17.032 7.787 -0.202 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -15.479 4.617 -0.166 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -16.713 3.896 0.874 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -18.613 6.854 1.133 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -18.479 5.157 1.606 1.00 0.00 H new ATOM 1130 N TYR A 77 -10.925 9.707 1.231 1.00 0.00 N ATOM 1131 CA TYR A 77 -10.200 10.679 2.042 1.00 0.00 C ATOM 1132 C TYR A 77 -10.480 12.101 1.568 1.00 0.00 C ATOM 1133 O TYR A 77 -10.378 12.405 0.379 1.00 0.00 O ATOM 1134 CB TYR A 77 -8.697 10.398 1.990 1.00 0.00 C ATOM 1135 CG TYR A 77 -8.295 9.119 2.688 1.00 0.00 C ATOM 1136 CD1 TYR A 77 -8.188 9.063 4.072 1.00 0.00 C ATOM 1137 CD2 TYR A 77 -8.024 7.965 1.964 1.00 0.00 C ATOM 1138 CE1 TYR A 77 -7.820 7.897 4.714 1.00 0.00 C ATOM 1139 CE2 TYR A 77 -7.657 6.793 2.597 1.00 0.00 C ATOM 1140 CZ TYR A 77 -7.556 6.764 3.973 1.00 0.00 C ATOM 1141 OH TYR A 77 -7.191 5.600 4.609 1.00 0.00 O ATOM 0 H TYR A 77 -10.379 9.301 0.471 1.00 0.00 H new ATOM 0 HA TYR A 77 -10.545 10.585 3.072 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -8.381 10.348 0.948 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -8.164 11.233 2.445 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -8.396 9.947 4.656 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -8.102 7.984 0.887 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -7.739 7.872 5.791 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -7.450 5.905 2.018 1.00 0.00 H new ATOM 0 HH TYR A 77 -7.042 4.896 3.943 1.00 0.00 H new ATOM 1151 N THR A 78 -10.834 12.973 2.508 1.00 0.00 N ATOM 1152 CA THR A 78 -11.129 14.363 2.189 1.00 0.00 C ATOM 1153 C THR A 78 -10.343 15.313 3.086 1.00 0.00 C ATOM 1154 O THR A 78 -10.172 15.057 4.278 1.00 0.00 O ATOM 1155 CB THR A 78 -12.633 14.666 2.334 1.00 0.00 C ATOM 1156 OG1 THR A 78 -13.390 13.813 1.468 1.00 0.00 O ATOM 1157 CG2 THR A 78 -12.926 16.121 2.003 1.00 0.00 C ATOM 0 H THR A 78 -10.923 12.740 3.497 1.00 0.00 H new ATOM 0 HA THR A 78 -10.832 14.518 1.152 1.00 0.00 H new ATOM 0 HB THR A 78 -12.921 14.480 3.369 1.00 0.00 H new ATOM 0 HG1 THR A 78 -14.345 14.010 1.567 1.00 0.00 H new ATOM 0 HG21 THR A 78 -13.994 16.311 2.112 1.00 0.00 H new ATOM 0 HG22 THR A 78 -12.371 16.768 2.682 1.00 0.00 H new ATOM 0 HG23 THR A 78 -12.624 16.329 0.977 1.00 0.00 H new ATOM 1165 N CYS A 79 -9.867 16.409 2.506 1.00 0.00 N ATOM 1166 CA CYS A 79 -9.099 17.398 3.252 1.00 0.00 C ATOM 1167 C CYS A 79 -9.999 18.527 3.746 1.00 0.00 C ATOM 1168 O CYS A 79 -10.971 18.894 3.085 1.00 0.00 O ATOM 1169 CB CYS A 79 -7.978 17.968 2.380 1.00 0.00 C ATOM 1170 SG CYS A 79 -7.079 19.359 3.140 1.00 0.00 S ATOM 0 H CYS A 79 -10.000 16.635 1.520 1.00 0.00 H new ATOM 0 HA CYS A 79 -8.660 16.902 4.118 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -7.269 17.172 2.152 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -8.402 18.298 1.432 1.00 0.00 H new ATOM 1175 N ILE A 80 -9.668 19.073 4.911 1.00 0.00 N ATOM 1176 CA ILE A 80 -10.445 20.161 5.492 1.00 0.00 C ATOM 1177 C ILE A 80 -9.537 21.285 5.981 1.00 0.00 C ATOM 1178 O ILE A 80 -8.548 21.042 6.672 1.00 0.00 O ATOM 1179 CB ILE A 80 -11.311 19.669 6.667 1.00 0.00 C ATOM 1180 CG1 ILE A 80 -12.187 18.494 6.225 1.00 0.00 C ATOM 1181 CG2 ILE A 80 -12.170 20.804 7.204 1.00 0.00 C ATOM 1182 CD1 ILE A 80 -11.518 17.147 6.389 1.00 0.00 C ATOM 0 H ILE A 80 -8.867 18.780 5.471 1.00 0.00 H new ATOM 0 HA ILE A 80 -11.096 20.539 4.704 1.00 0.00 H new ATOM 0 HB ILE A 80 -10.653 19.328 7.467 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -13.112 18.504 6.801 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -12.462 18.629 5.179 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -12.776 20.440 8.034 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -11.528 21.613 7.551 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -12.822 21.172 6.412 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -12.196 16.361 6.056 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -10.607 17.118 5.791 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -11.268 16.990 7.438 1.00 0.00 H new ATOM 1194 N ALA A 81 -9.882 22.516 5.619 1.00 0.00 N ATOM 1195 CA ALA A 81 -9.101 23.678 6.024 1.00 0.00 C ATOM 1196 C ALA A 81 -9.959 24.674 6.797 1.00 0.00 C ATOM 1197 O ALA A 81 -10.872 25.284 6.241 1.00 0.00 O ATOM 1198 CB ALA A 81 -8.481 24.347 4.806 1.00 0.00 C ATOM 0 H ALA A 81 -10.697 22.734 5.046 1.00 0.00 H new ATOM 0 HA ALA A 81 -8.303 23.337 6.684 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -7.900 25.213 5.123 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -7.828 23.639 4.295 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -9.270 24.668 4.126 1.00 0.00 H new ATOM 1204 N SER A 82 -9.660 24.833 8.082 1.00 0.00 N ATOM 1205 CA SER A 82 -10.407 25.752 8.933 1.00 0.00 C ATOM 1206 C SER A 82 -9.611 27.029 9.183 1.00 0.00 C ATOM 1207 O SER A 82 -8.448 26.983 9.586 1.00 0.00 O ATOM 1208 CB SER A 82 -10.750 25.082 10.265 1.00 0.00 C ATOM 1209 OG SER A 82 -11.291 26.017 11.182 1.00 0.00 O ATOM 0 H SER A 82 -8.906 24.337 8.557 1.00 0.00 H new ATOM 0 HA SER A 82 -11.331 26.015 8.418 1.00 0.00 H new ATOM 0 HB2 SER A 82 -11.465 24.277 10.097 1.00 0.00 H new ATOM 0 HB3 SER A 82 -9.854 24.629 10.689 1.00 0.00 H new ATOM 0 HG SER A 82 -11.503 25.564 12.024 1.00 0.00 H new ATOM 1215 N THR A 83 -10.247 28.172 8.941 1.00 0.00 N ATOM 1216 CA THR A 83 -9.600 29.463 9.138 1.00 0.00 C ATOM 1217 C THR A 83 -10.592 30.503 9.646 1.00 0.00 C ATOM 1218 O THR A 83 -11.807 30.355 9.512 1.00 0.00 O ATOM 1219 CB THR A 83 -8.958 29.975 7.835 1.00 0.00 C ATOM 1220 OG1 THR A 83 -9.695 29.494 6.705 1.00 0.00 O ATOM 1221 CG2 THR A 83 -7.509 29.524 7.731 1.00 0.00 C ATOM 0 H THR A 83 -11.210 28.229 8.608 1.00 0.00 H new ATOM 0 HA THR A 83 -8.819 29.315 9.884 1.00 0.00 H new ATOM 0 HB THR A 83 -8.982 31.065 7.848 1.00 0.00 H new ATOM 0 HG1 THR A 83 -10.648 29.453 6.929 1.00 0.00 H new ATOM 0 HG21 THR A 83 -7.077 29.898 6.803 1.00 0.00 H new ATOM 0 HG22 THR A 83 -6.944 29.916 8.577 1.00 0.00 H new ATOM 0 HG23 THR A 83 -7.465 28.435 7.739 1.00 0.00 H new ATOM 1229 N PRO A 84 -10.065 31.583 10.243 1.00 0.00 N ATOM 1230 CA PRO A 84 -10.887 32.670 10.781 1.00 0.00 C ATOM 1231 C PRO A 84 -11.562 33.485 9.683 1.00 0.00 C ATOM 1232 O PRO A 84 -12.275 34.449 9.962 1.00 0.00 O ATOM 1233 CB PRO A 84 -9.880 33.532 11.545 1.00 0.00 C ATOM 1234 CG PRO A 84 -8.572 33.259 10.886 1.00 0.00 C ATOM 1235 CD PRO A 84 -8.626 31.825 10.437 1.00 0.00 C ATOM 0 HA PRO A 84 -11.703 32.296 11.399 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -10.139 34.589 11.487 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -9.854 33.267 12.602 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -8.415 33.927 10.039 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -7.745 33.420 11.578 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -8.065 31.671 9.515 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -8.203 31.154 11.184 1.00 0.00 H new ATOM 1243 N SER A 85 -11.333 33.091 8.435 1.00 0.00 N ATOM 1244 CA SER A 85 -11.916 33.788 7.294 1.00 0.00 C ATOM 1245 C SER A 85 -12.913 32.893 6.563 1.00 0.00 C ATOM 1246 O SER A 85 -13.772 33.375 5.826 1.00 0.00 O ATOM 1247 CB SER A 85 -10.818 34.242 6.331 1.00 0.00 C ATOM 1248 OG SER A 85 -10.076 35.319 6.875 1.00 0.00 O ATOM 0 H SER A 85 -10.748 32.293 8.188 1.00 0.00 H new ATOM 0 HA SER A 85 -12.446 34.664 7.667 1.00 0.00 H new ATOM 0 HB2 SER A 85 -10.150 33.408 6.117 1.00 0.00 H new ATOM 0 HB3 SER A 85 -11.263 34.545 5.383 1.00 0.00 H new ATOM 0 HG SER A 85 -9.379 35.590 6.241 1.00 0.00 H new ATOM 1254 N GLY A 86 -12.790 31.586 6.773 1.00 0.00 N ATOM 1255 CA GLY A 86 -13.685 30.644 6.127 1.00 0.00 C ATOM 1256 C GLY A 86 -13.190 29.214 6.225 1.00 0.00 C ATOM 1257 O GLY A 86 -12.380 28.889 7.092 1.00 0.00 O ATOM 0 H GLY A 86 -12.087 31.163 7.379 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -14.673 30.715 6.582 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -13.797 30.915 5.077 1.00 0.00 H new ATOM 1261 N GLU A 87 -13.681 28.358 5.333 1.00 0.00 N ATOM 1262 CA GLU A 87 -13.284 26.955 5.325 1.00 0.00 C ATOM 1263 C GLU A 87 -13.553 26.321 3.963 1.00 0.00 C ATOM 1264 O GLU A 87 -14.541 26.641 3.302 1.00 0.00 O ATOM 1265 CB GLU A 87 -14.032 26.184 6.415 1.00 0.00 C ATOM 1266 CG GLU A 87 -13.469 24.797 6.676 1.00 0.00 C ATOM 1267 CD GLU A 87 -14.520 23.825 7.175 1.00 0.00 C ATOM 1268 OE1 GLU A 87 -15.687 23.940 6.743 1.00 0.00 O ATOM 1269 OE2 GLU A 87 -14.177 22.951 7.998 1.00 0.00 O ATOM 0 H GLU A 87 -14.353 28.611 4.608 1.00 0.00 H new ATOM 0 HA GLU A 87 -12.214 26.906 5.524 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -14.002 26.759 7.340 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -15.080 26.094 6.130 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -13.028 24.409 5.758 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -12.666 24.867 7.410 1.00 0.00 H new ATOM 1276 N ALA A 88 -12.667 25.421 3.550 1.00 0.00 N ATOM 1277 CA ALA A 88 -12.809 24.742 2.269 1.00 0.00 C ATOM 1278 C ALA A 88 -12.402 23.276 2.377 1.00 0.00 C ATOM 1279 O ALA A 88 -11.835 22.850 3.383 1.00 0.00 O ATOM 1280 CB ALA A 88 -11.979 25.444 1.204 1.00 0.00 C ATOM 0 H ALA A 88 -11.843 25.145 4.084 1.00 0.00 H new ATOM 0 HA ALA A 88 -13.859 24.781 1.980 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -12.095 24.926 0.252 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -12.318 26.475 1.099 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -10.929 25.435 1.497 1.00 0.00 H new ATOM 1286 N THR A 89 -12.697 22.506 1.333 1.00 0.00 N ATOM 1287 CA THR A 89 -12.365 21.088 1.312 1.00 0.00 C ATOM 1288 C THR A 89 -12.021 20.625 -0.099 1.00 0.00 C ATOM 1289 O THR A 89 -12.412 21.255 -1.082 1.00 0.00 O ATOM 1290 CB THR A 89 -13.524 20.230 1.853 1.00 0.00 C ATOM 1291 OG1 THR A 89 -14.674 20.373 1.010 1.00 0.00 O ATOM 1292 CG2 THR A 89 -13.879 20.635 3.275 1.00 0.00 C ATOM 0 H THR A 89 -13.165 22.842 0.491 1.00 0.00 H new ATOM 0 HA THR A 89 -11.496 20.958 1.957 1.00 0.00 H new ATOM 0 HB THR A 89 -13.204 19.188 1.858 1.00 0.00 H new ATOM 0 HG1 THR A 89 -15.406 19.823 1.359 1.00 0.00 H new ATOM 0 HG21 THR A 89 -14.700 20.015 3.636 1.00 0.00 H new ATOM 0 HG22 THR A 89 -13.011 20.498 3.920 1.00 0.00 H new ATOM 0 HG23 THR A 89 -14.181 21.682 3.290 1.00 0.00 H new ATOM 1300 N TRP A 90 -11.287 19.522 -0.193 1.00 0.00 N ATOM 1301 CA TRP A 90 -10.891 18.974 -1.485 1.00 0.00 C ATOM 1302 C TRP A 90 -11.440 17.564 -1.671 1.00 0.00 C ATOM 1303 O TRP A 90 -11.796 16.894 -0.701 1.00 0.00 O ATOM 1304 CB TRP A 90 -9.367 18.962 -1.612 1.00 0.00 C ATOM 1305 CG TRP A 90 -8.888 18.639 -2.995 1.00 0.00 C ATOM 1306 CD1 TRP A 90 -8.450 17.428 -3.448 1.00 0.00 C ATOM 1307 CD2 TRP A 90 -8.799 19.541 -4.103 1.00 0.00 C ATOM 1308 NE1 TRP A 90 -8.092 17.522 -4.771 1.00 0.00 N ATOM 1309 CE2 TRP A 90 -8.298 18.807 -5.197 1.00 0.00 C ATOM 1310 CE3 TRP A 90 -9.095 20.895 -4.279 1.00 0.00 C ATOM 1311 CZ2 TRP A 90 -8.087 19.385 -6.446 1.00 0.00 C ATOM 1312 CZ3 TRP A 90 -8.884 21.467 -5.519 1.00 0.00 C ATOM 1313 CH2 TRP A 90 -8.385 20.713 -6.590 1.00 0.00 C ATOM 0 H TRP A 90 -10.954 18.989 0.611 1.00 0.00 H new ATOM 0 HA TRP A 90 -11.309 19.611 -2.264 1.00 0.00 H new ATOM 0 HB2 TRP A 90 -8.978 19.937 -1.319 1.00 0.00 H new ATOM 0 HB3 TRP A 90 -8.957 18.232 -0.914 1.00 0.00 H new ATOM 0 HD1 TRP A 90 -8.393 16.528 -2.854 1.00 0.00 H new ATOM 0 HE1 TRP A 90 -7.731 16.758 -5.343 1.00 0.00 H new ATOM 0 HE3 TRP A 90 -9.482 21.484 -3.461 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 -7.702 18.806 -7.272 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 -9.107 22.513 -5.666 1.00 0.00 H new ATOM 0 HH2 TRP A 90 -8.233 21.189 -7.547 1.00 0.00 H new ATOM 1324 N SER A 91 -11.506 17.119 -2.921 1.00 0.00 N ATOM 1325 CA SER A 91 -12.015 15.788 -3.233 1.00 0.00 C ATOM 1326 C SER A 91 -10.870 14.820 -3.514 1.00 0.00 C ATOM 1327 O SER A 91 -9.893 15.172 -4.174 1.00 0.00 O ATOM 1328 CB SER A 91 -12.954 15.848 -4.439 1.00 0.00 C ATOM 1329 OG SER A 91 -12.232 16.077 -5.637 1.00 0.00 O ATOM 0 H SER A 91 -11.214 17.660 -3.735 1.00 0.00 H new ATOM 0 HA SER A 91 -12.569 15.426 -2.367 1.00 0.00 H new ATOM 0 HB2 SER A 91 -13.509 14.913 -4.518 1.00 0.00 H new ATOM 0 HB3 SER A 91 -13.686 16.642 -4.295 1.00 0.00 H new ATOM 0 HG SER A 91 -12.855 16.109 -6.393 1.00 0.00 H new ATOM 1335 N ALA A 92 -10.998 13.599 -3.006 1.00 0.00 N ATOM 1336 CA ALA A 92 -9.976 12.578 -3.203 1.00 0.00 C ATOM 1337 C ALA A 92 -10.489 11.201 -2.797 1.00 0.00 C ATOM 1338 O ALA A 92 -11.352 11.082 -1.927 1.00 0.00 O ATOM 1339 CB ALA A 92 -8.721 12.929 -2.417 1.00 0.00 C ATOM 0 H ALA A 92 -11.800 13.292 -2.455 1.00 0.00 H new ATOM 0 HA ALA A 92 -9.730 12.546 -4.264 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.966 12.158 -2.573 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -8.335 13.889 -2.758 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -8.962 12.991 -1.356 1.00 0.00 H new ATOM 1345 N TYR A 93 -9.954 10.164 -3.431 1.00 0.00 N ATOM 1346 CA TYR A 93 -10.361 8.795 -3.138 1.00 0.00 C ATOM 1347 C TYR A 93 -9.180 7.838 -3.262 1.00 0.00 C ATOM 1348 O TYR A 93 -8.272 8.056 -4.065 1.00 0.00 O ATOM 1349 CB TYR A 93 -11.485 8.362 -4.080 1.00 0.00 C ATOM 1350 CG TYR A 93 -11.849 6.899 -3.956 1.00 0.00 C ATOM 1351 CD1 TYR A 93 -12.082 6.325 -2.712 1.00 0.00 C ATOM 1352 CD2 TYR A 93 -11.958 6.092 -5.081 1.00 0.00 C ATOM 1353 CE1 TYR A 93 -12.414 4.989 -2.594 1.00 0.00 C ATOM 1354 CE2 TYR A 93 -12.291 4.756 -4.972 1.00 0.00 C ATOM 1355 CZ TYR A 93 -12.518 4.209 -3.726 1.00 0.00 C ATOM 1356 OH TYR A 93 -12.848 2.878 -3.613 1.00 0.00 O ATOM 0 H TYR A 93 -9.237 10.245 -4.152 1.00 0.00 H new ATOM 0 HA TYR A 93 -10.725 8.763 -2.111 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -12.370 8.966 -3.879 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -11.186 8.568 -5.108 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -12.002 6.933 -1.823 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -11.779 6.516 -6.058 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -12.591 4.558 -1.620 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -12.373 4.143 -5.857 1.00 0.00 H new ATOM 0 HH TYR A 93 -12.881 2.472 -4.504 1.00 0.00 H new ATOM 1366 N ILE A 94 -9.200 6.777 -2.463 1.00 0.00 N ATOM 1367 CA ILE A 94 -8.133 5.784 -2.484 1.00 0.00 C ATOM 1368 C ILE A 94 -8.699 4.369 -2.540 1.00 0.00 C ATOM 1369 O ILE A 94 -9.506 3.980 -1.697 1.00 0.00 O ATOM 1370 CB ILE A 94 -7.221 5.912 -1.249 1.00 0.00 C ATOM 1371 CG1 ILE A 94 -6.711 7.347 -1.111 1.00 0.00 C ATOM 1372 CG2 ILE A 94 -6.057 4.937 -1.348 1.00 0.00 C ATOM 1373 CD1 ILE A 94 -5.752 7.756 -2.207 1.00 0.00 C ATOM 0 H ILE A 94 -9.944 6.583 -1.793 1.00 0.00 H new ATOM 0 HA ILE A 94 -7.544 5.972 -3.382 1.00 0.00 H new ATOM 0 HB ILE A 94 -7.801 5.666 -0.360 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -7.562 8.028 -1.111 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -6.216 7.457 -0.146 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -5.421 5.039 -0.469 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -6.440 3.918 -1.403 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -5.475 5.155 -2.244 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -5.432 8.785 -2.045 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -4.882 7.099 -2.194 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -6.250 7.679 -3.174 1.00 0.00 H new ATOM 1385 N GLU A 95 -8.268 3.604 -3.538 1.00 0.00 N ATOM 1386 CA GLU A 95 -8.732 2.232 -3.703 1.00 0.00 C ATOM 1387 C GLU A 95 -7.634 1.238 -3.331 1.00 0.00 C ATOM 1388 O GLU A 95 -6.466 1.433 -3.666 1.00 0.00 O ATOM 1389 CB GLU A 95 -9.185 1.992 -5.145 1.00 0.00 C ATOM 1390 CG GLU A 95 -9.641 0.568 -5.411 1.00 0.00 C ATOM 1391 CD GLU A 95 -10.623 0.476 -6.562 1.00 0.00 C ATOM 1392 OE1 GLU A 95 -10.227 0.782 -7.706 1.00 0.00 O ATOM 1393 OE2 GLU A 95 -11.788 0.096 -6.319 1.00 0.00 O ATOM 0 H GLU A 95 -7.599 3.911 -4.244 1.00 0.00 H new ATOM 0 HA GLU A 95 -9.579 2.079 -3.034 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -10.001 2.675 -5.379 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -8.364 2.233 -5.820 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -8.772 -0.053 -5.629 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -10.104 0.164 -4.510 1.00 0.00 H new ATOM 1400 N VAL A 96 -8.019 0.173 -2.636 1.00 0.00 N ATOM 1401 CA VAL A 96 -7.070 -0.852 -2.219 1.00 0.00 C ATOM 1402 C VAL A 96 -7.388 -2.194 -2.869 1.00 0.00 C ATOM 1403 O VAL A 96 -8.333 -2.876 -2.475 1.00 0.00 O ATOM 1404 CB VAL A 96 -7.066 -1.024 -0.688 1.00 0.00 C ATOM 1405 CG1 VAL A 96 -6.008 -2.032 -0.267 1.00 0.00 C ATOM 1406 CG2 VAL A 96 -6.841 0.316 -0.003 1.00 0.00 C ATOM 0 H VAL A 96 -8.982 -0.003 -2.350 1.00 0.00 H new ATOM 0 HA VAL A 96 -6.084 -0.520 -2.543 1.00 0.00 H new ATOM 0 HB VAL A 96 -8.039 -1.405 -0.379 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -6.020 -2.140 0.818 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -6.219 -2.996 -0.730 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -5.026 -1.683 -0.586 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -6.841 0.177 1.078 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -5.882 0.728 -0.316 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -7.639 1.005 -0.280 1.00 0.00 H new ATOM 1416 N GLN A 97 -6.592 -2.565 -3.866 1.00 0.00 N ATOM 1417 CA GLN A 97 -6.789 -3.826 -4.571 1.00 0.00 C ATOM 1418 C GLN A 97 -5.800 -4.881 -4.088 1.00 0.00 C ATOM 1419 O GLN A 97 -4.666 -4.564 -3.731 1.00 0.00 O ATOM 1420 CB GLN A 97 -6.637 -3.621 -6.079 1.00 0.00 C ATOM 1421 CG GLN A 97 -7.785 -2.846 -6.707 1.00 0.00 C ATOM 1422 CD GLN A 97 -7.472 -2.378 -8.114 1.00 0.00 C ATOM 1423 OE1 GLN A 97 -6.325 -2.430 -8.558 1.00 0.00 O ATOM 1424 NE2 GLN A 97 -8.494 -1.916 -8.825 1.00 0.00 N ATOM 0 H GLN A 97 -5.805 -2.011 -4.204 1.00 0.00 H new ATOM 0 HA GLN A 97 -7.799 -4.177 -4.359 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -5.704 -3.092 -6.273 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -6.559 -4.594 -6.563 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -8.675 -3.475 -6.727 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -8.019 -1.982 -6.084 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -9.429 -1.891 -8.418 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -8.344 -1.586 -9.779 1.00 0.00 H new ATOM 1433 N GLU A 98 -6.238 -6.136 -4.078 1.00 0.00 N ATOM 1434 CA GLU A 98 -5.390 -7.237 -3.637 1.00 0.00 C ATOM 1435 C GLU A 98 -4.603 -7.821 -4.807 1.00 0.00 C ATOM 1436 O GLU A 98 -5.062 -7.801 -5.949 1.00 0.00 O ATOM 1437 CB GLU A 98 -6.236 -8.331 -2.981 1.00 0.00 C ATOM 1438 CG GLU A 98 -5.439 -9.261 -2.083 1.00 0.00 C ATOM 1439 CD GLU A 98 -6.221 -10.496 -1.681 1.00 0.00 C ATOM 1440 OE1 GLU A 98 -7.446 -10.381 -1.471 1.00 0.00 O ATOM 1441 OE2 GLU A 98 -5.607 -11.579 -1.576 1.00 0.00 O ATOM 0 H GLU A 98 -7.175 -6.415 -4.370 1.00 0.00 H new ATOM 0 HA GLU A 98 -4.683 -6.846 -2.905 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -7.027 -7.864 -2.395 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -6.721 -8.919 -3.760 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -4.528 -9.564 -2.598 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -5.134 -8.721 -1.187 1.00 0.00 H new ATOM 1448 N PHE A 99 -3.416 -8.340 -4.513 1.00 0.00 N ATOM 1449 CA PHE A 99 -2.563 -8.928 -5.540 1.00 0.00 C ATOM 1450 C PHE A 99 -1.749 -10.087 -4.972 1.00 0.00 C ATOM 1451 O PHE A 99 -1.722 -10.307 -3.762 1.00 0.00 O ATOM 1452 CB PHE A 99 -1.626 -7.868 -6.123 1.00 0.00 C ATOM 1453 CG PHE A 99 -2.206 -7.137 -7.299 1.00 0.00 C ATOM 1454 CD1 PHE A 99 -2.145 -7.684 -8.571 1.00 0.00 C ATOM 1455 CD2 PHE A 99 -2.813 -5.902 -7.134 1.00 0.00 C ATOM 1456 CE1 PHE A 99 -2.677 -7.012 -9.655 1.00 0.00 C ATOM 1457 CE2 PHE A 99 -3.348 -5.227 -8.215 1.00 0.00 C ATOM 1458 CZ PHE A 99 -3.280 -5.783 -9.477 1.00 0.00 C ATOM 0 H PHE A 99 -3.022 -8.366 -3.572 1.00 0.00 H new ATOM 0 HA PHE A 99 -3.204 -9.312 -6.334 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -1.377 -7.147 -5.344 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -0.694 -8.345 -6.426 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -1.676 -8.646 -8.717 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -2.869 -5.462 -6.149 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -2.621 -7.448 -10.641 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -3.819 -4.266 -8.073 1.00 0.00 H new ATOM 0 HZ PHE A 99 -3.698 -5.258 -10.323 1.00 0.00 H new ATOM 1468 N GLY A 100 -1.085 -10.825 -5.857 1.00 0.00 N ATOM 1469 CA GLY A 100 -0.279 -11.953 -5.427 1.00 0.00 C ATOM 1470 C GLY A 100 -1.078 -12.966 -4.632 1.00 0.00 C ATOM 1471 O GLY A 100 -0.717 -13.307 -3.505 1.00 0.00 O ATOM 0 H GLY A 100 -1.091 -10.662 -6.864 1.00 0.00 H new ATOM 0 HA2 GLY A 100 0.154 -12.441 -6.301 1.00 0.00 H new ATOM 0 HA3 GLY A 100 0.551 -11.592 -4.820 1.00 0.00 H new ATOM 1475 N VAL A 101 -2.169 -13.449 -5.218 1.00 0.00 N ATOM 1476 CA VAL A 101 -3.022 -14.429 -4.557 1.00 0.00 C ATOM 1477 C VAL A 101 -2.208 -15.614 -4.050 1.00 0.00 C ATOM 1478 O VAL A 101 -1.453 -16.244 -4.793 1.00 0.00 O ATOM 1479 CB VAL A 101 -4.123 -14.945 -5.504 1.00 0.00 C ATOM 1480 CG1 VAL A 101 -4.975 -15.996 -4.809 1.00 0.00 C ATOM 1481 CG2 VAL A 101 -4.982 -13.791 -5.998 1.00 0.00 C ATOM 0 H VAL A 101 -2.483 -13.177 -6.150 1.00 0.00 H new ATOM 0 HA VAL A 101 -3.488 -13.923 -3.711 1.00 0.00 H new ATOM 0 HB VAL A 101 -3.648 -15.411 -6.368 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -5.747 -16.349 -5.493 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -4.346 -16.834 -4.509 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -5.443 -15.559 -3.927 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -5.755 -14.172 -6.666 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -5.450 -13.295 -5.147 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -4.358 -13.077 -6.536 1.00 0.00 H new ATOM 1491 N PRO A 102 -2.362 -15.928 -2.755 1.00 0.00 N ATOM 1492 CA PRO A 102 -1.649 -17.040 -2.120 1.00 0.00 C ATOM 1493 C PRO A 102 -2.141 -18.398 -2.608 1.00 0.00 C ATOM 1494 O PRO A 102 -3.345 -18.643 -2.684 1.00 0.00 O ATOM 1495 CB PRO A 102 -1.965 -16.860 -0.633 1.00 0.00 C ATOM 1496 CG PRO A 102 -3.258 -16.120 -0.607 1.00 0.00 C ATOM 1497 CD PRO A 102 -3.244 -15.221 -1.812 1.00 0.00 C ATOM 0 HA PRO A 102 -0.583 -17.025 -2.349 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -2.049 -17.822 -0.127 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -1.179 -16.301 -0.126 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -4.102 -16.808 -0.643 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -3.358 -15.541 0.311 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -4.244 -15.084 -2.223 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -2.861 -14.230 -1.569 1.00 0.00 H new ATOM 1505 N VAL A 103 -1.202 -19.279 -2.939 1.00 0.00 N ATOM 1506 CA VAL A 103 -1.540 -20.613 -3.419 1.00 0.00 C ATOM 1507 C VAL A 103 -1.215 -21.673 -2.372 1.00 0.00 C ATOM 1508 O VAL A 103 -0.153 -21.639 -1.751 1.00 0.00 O ATOM 1509 CB VAL A 103 -0.790 -20.948 -4.722 1.00 0.00 C ATOM 1510 CG1 VAL A 103 -1.175 -22.334 -5.219 1.00 0.00 C ATOM 1511 CG2 VAL A 103 -1.071 -19.895 -5.783 1.00 0.00 C ATOM 0 H VAL A 103 -0.201 -19.092 -2.883 1.00 0.00 H new ATOM 0 HA VAL A 103 -2.612 -20.616 -3.615 1.00 0.00 H new ATOM 0 HB VAL A 103 0.280 -20.947 -4.516 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -0.635 -22.553 -6.140 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -0.918 -23.076 -4.463 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -2.248 -22.367 -5.410 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -0.533 -20.147 -6.697 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -2.141 -19.862 -5.989 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -0.740 -18.920 -5.425 1.00 0.00 H new ATOM 1521 N GLN A 104 -2.137 -22.611 -2.182 1.00 0.00 N ATOM 1522 CA GLN A 104 -1.947 -23.681 -1.209 1.00 0.00 C ATOM 1523 C GLN A 104 -1.470 -24.959 -1.891 1.00 0.00 C ATOM 1524 O GLN A 104 -2.032 -25.404 -2.892 1.00 0.00 O ATOM 1525 CB GLN A 104 -3.250 -23.948 -0.453 1.00 0.00 C ATOM 1526 CG GLN A 104 -4.394 -24.394 -1.350 1.00 0.00 C ATOM 1527 CD GLN A 104 -4.391 -25.890 -1.598 1.00 0.00 C ATOM 1528 OE1 GLN A 104 -4.369 -26.340 -2.744 1.00 0.00 O ATOM 1529 NE2 GLN A 104 -4.414 -26.668 -0.523 1.00 0.00 N ATOM 0 H GLN A 104 -3.022 -22.652 -2.688 1.00 0.00 H new ATOM 0 HA GLN A 104 -1.182 -23.362 -0.501 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -3.072 -24.714 0.302 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -3.546 -23.042 0.076 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -5.342 -24.107 -0.894 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -4.328 -23.871 -2.304 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -4.432 -26.251 0.408 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -4.414 -27.683 -0.628 1.00 0.00 H new ATOM 1538 N PRO A 105 -0.409 -25.565 -1.339 1.00 0.00 N ATOM 1539 CA PRO A 105 0.167 -26.800 -1.878 1.00 0.00 C ATOM 1540 C PRO A 105 -0.748 -28.003 -1.674 1.00 0.00 C ATOM 1541 O PRO A 105 -1.687 -27.971 -0.879 1.00 0.00 O ATOM 1542 CB PRO A 105 1.459 -26.969 -1.074 1.00 0.00 C ATOM 1543 CG PRO A 105 1.208 -26.245 0.203 1.00 0.00 C ATOM 1544 CD PRO A 105 0.311 -25.090 -0.145 1.00 0.00 C ATOM 0 HA PRO A 105 0.323 -26.741 -2.955 1.00 0.00 H new ATOM 0 HB2 PRO A 105 1.679 -28.021 -0.896 1.00 0.00 H new ATOM 0 HB3 PRO A 105 2.314 -26.550 -1.605 1.00 0.00 H new ATOM 0 HG2 PRO A 105 0.735 -26.899 0.936 1.00 0.00 H new ATOM 0 HG3 PRO A 105 2.142 -25.895 0.643 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -0.374 -24.853 0.669 1.00 0.00 H new ATOM 0 HD3 PRO A 105 0.883 -24.186 -0.354 1.00 0.00 H new ATOM 1552 N PRO A 106 -0.469 -29.090 -2.408 1.00 0.00 N ATOM 1553 CA PRO A 106 -1.255 -30.325 -2.325 1.00 0.00 C ATOM 1554 C PRO A 106 -1.057 -31.049 -0.998 1.00 0.00 C ATOM 1555 O PRO A 106 -0.412 -30.531 -0.087 1.00 0.00 O ATOM 1556 CB PRO A 106 -0.713 -31.169 -3.481 1.00 0.00 C ATOM 1557 CG PRO A 106 0.672 -30.667 -3.701 1.00 0.00 C ATOM 1558 CD PRO A 106 0.636 -29.199 -3.376 1.00 0.00 C ATOM 0 HA PRO A 106 -2.326 -30.132 -2.386 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -0.714 -32.230 -3.231 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -1.323 -31.052 -4.377 1.00 0.00 H new ATOM 0 HG2 PRO A 106 1.383 -31.191 -3.062 1.00 0.00 H new ATOM 0 HG3 PRO A 106 0.988 -30.831 -4.731 1.00 0.00 H new ATOM 0 HD2 PRO A 106 1.579 -28.859 -2.949 1.00 0.00 H new ATOM 0 HD3 PRO A 106 0.453 -28.595 -4.265 1.00 0.00 H new ATOM 1566 N ARG A 107 -1.617 -32.251 -0.896 1.00 0.00 N ATOM 1567 CA ARG A 107 -1.502 -33.046 0.321 1.00 0.00 C ATOM 1568 C ARG A 107 -0.051 -33.120 0.787 1.00 0.00 C ATOM 1569 O ARG A 107 0.865 -33.383 0.008 1.00 0.00 O ATOM 1570 CB ARG A 107 -2.046 -34.456 0.087 1.00 0.00 C ATOM 1571 CG ARG A 107 -1.033 -35.405 -0.533 1.00 0.00 C ATOM 1572 CD ARG A 107 -0.218 -36.123 0.531 1.00 0.00 C ATOM 1573 NE ARG A 107 -0.842 -37.376 0.946 1.00 0.00 N ATOM 1574 CZ ARG A 107 -0.859 -38.472 0.196 1.00 0.00 C ATOM 1575 NH1 ARG A 107 -0.288 -38.469 -1.001 1.00 0.00 N ATOM 1576 NH2 ARG A 107 -1.447 -39.574 0.643 1.00 0.00 N ATOM 0 H ARG A 107 -2.154 -32.695 -1.641 1.00 0.00 H new ATOM 0 HA ARG A 107 -2.091 -32.561 1.099 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -2.383 -34.869 1.038 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -2.920 -34.396 -0.562 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -1.551 -36.138 -1.152 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -0.365 -34.848 -1.190 1.00 0.00 H new ATOM 0 HD2 ARG A 107 0.781 -36.326 0.146 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -0.100 -35.472 1.398 1.00 0.00 H new ATOM 0 HE ARG A 107 -1.289 -37.412 1.862 1.00 0.00 H new ATOM 0 HH11 ARG A 107 0.166 -37.624 -1.348 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -0.302 -39.312 -1.575 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -1.887 -39.580 1.563 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -1.460 -40.415 0.066 1.00 0.00 H new ATOM 1590 N PRO A 108 0.165 -32.881 2.090 1.00 0.00 N ATOM 1591 CA PRO A 108 1.502 -32.914 2.689 1.00 0.00 C ATOM 1592 C PRO A 108 2.073 -34.327 2.753 1.00 0.00 C ATOM 1593 O PRO A 108 1.452 -35.235 3.306 1.00 0.00 O ATOM 1594 CB PRO A 108 1.272 -32.366 4.100 1.00 0.00 C ATOM 1595 CG PRO A 108 -0.159 -32.662 4.392 1.00 0.00 C ATOM 1596 CD PRO A 108 -0.880 -32.560 3.077 1.00 0.00 C ATOM 0 HA PRO A 108 2.224 -32.341 2.107 1.00 0.00 H new ATOM 0 HB2 PRO A 108 1.931 -32.846 4.823 1.00 0.00 H new ATOM 0 HB3 PRO A 108 1.473 -31.296 4.147 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -0.272 -33.657 4.823 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -0.564 -31.954 5.115 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -1.714 -33.259 3.021 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -1.289 -31.562 2.919 1.00 0.00 H new ATOM 1604 N THR A 109 3.262 -34.506 2.185 1.00 0.00 N ATOM 1605 CA THR A 109 3.917 -35.808 2.177 1.00 0.00 C ATOM 1606 C THR A 109 5.382 -35.689 2.582 1.00 0.00 C ATOM 1607 O THR A 109 6.028 -34.675 2.318 1.00 0.00 O ATOM 1608 CB THR A 109 3.832 -36.470 0.789 1.00 0.00 C ATOM 1609 OG1 THR A 109 4.401 -37.784 0.837 1.00 0.00 O ATOM 1610 CG2 THR A 109 4.559 -35.636 -0.255 1.00 0.00 C ATOM 0 H THR A 109 3.791 -33.765 1.725 1.00 0.00 H new ATOM 0 HA THR A 109 3.392 -36.431 2.902 1.00 0.00 H new ATOM 0 HB THR A 109 2.781 -36.539 0.508 1.00 0.00 H new ATOM 0 HG1 THR A 109 4.342 -38.199 -0.049 1.00 0.00 H new ATOM 0 HG21 THR A 109 4.485 -36.124 -1.227 1.00 0.00 H new ATOM 0 HG22 THR A 109 4.105 -34.646 -0.310 1.00 0.00 H new ATOM 0 HG23 THR A 109 5.608 -35.539 0.023 1.00 0.00 H new ATOM 1618 N ASP A 110 5.899 -36.731 3.223 1.00 0.00 N ATOM 1619 CA ASP A 110 7.290 -36.743 3.663 1.00 0.00 C ATOM 1620 C ASP A 110 8.168 -37.497 2.669 1.00 0.00 C ATOM 1621 O ASP A 110 7.697 -38.333 1.897 1.00 0.00 O ATOM 1622 CB ASP A 110 7.402 -37.382 5.048 1.00 0.00 C ATOM 1623 CG ASP A 110 6.526 -38.611 5.192 1.00 0.00 C ATOM 1624 OD1 ASP A 110 5.289 -38.454 5.261 1.00 0.00 O ATOM 1625 OD2 ASP A 110 7.078 -39.731 5.235 1.00 0.00 O ATOM 0 H ASP A 110 5.377 -37.578 3.450 1.00 0.00 H new ATOM 0 HA ASP A 110 7.638 -35.711 3.717 1.00 0.00 H new ATOM 0 HB2 ASP A 110 8.440 -37.656 5.236 1.00 0.00 H new ATOM 0 HB3 ASP A 110 7.123 -36.650 5.806 1.00 0.00 H new ATOM 1630 N PRO A 111 9.474 -37.195 2.685 1.00 0.00 N ATOM 1631 CA PRO A 111 10.445 -37.832 1.790 1.00 0.00 C ATOM 1632 C PRO A 111 10.680 -39.297 2.140 1.00 0.00 C ATOM 1633 O PRO A 111 11.680 -39.889 1.735 1.00 0.00 O ATOM 1634 CB PRO A 111 11.722 -37.017 2.015 1.00 0.00 C ATOM 1635 CG PRO A 111 11.575 -36.454 3.386 1.00 0.00 C ATOM 1636 CD PRO A 111 10.104 -36.207 3.578 1.00 0.00 C ATOM 0 HA PRO A 111 10.103 -37.838 0.755 1.00 0.00 H new ATOM 0 HB2 PRO A 111 12.610 -37.644 1.938 1.00 0.00 H new ATOM 0 HB3 PRO A 111 11.824 -36.227 1.271 1.00 0.00 H new ATOM 0 HG2 PRO A 111 11.955 -37.148 4.136 1.00 0.00 H new ATOM 0 HG3 PRO A 111 12.143 -35.529 3.491 1.00 0.00 H new ATOM 0 HD2 PRO A 111 9.804 -36.354 4.615 1.00 0.00 H new ATOM 0 HD3 PRO A 111 9.829 -35.188 3.308 1.00 0.00 H new ATOM 1644 N ASN A 112 9.751 -39.878 2.893 1.00 0.00 N ATOM 1645 CA ASN A 112 9.858 -41.275 3.296 1.00 0.00 C ATOM 1646 C ASN A 112 10.900 -41.445 4.398 1.00 0.00 C ATOM 1647 O ASN A 112 11.536 -42.494 4.509 1.00 0.00 O ATOM 1648 CB ASN A 112 10.224 -42.148 2.094 1.00 0.00 C ATOM 1649 CG ASN A 112 9.861 -43.605 2.306 1.00 0.00 C ATOM 1650 OD1 ASN A 112 8.742 -43.926 2.705 1.00 0.00 O ATOM 1651 ND2 ASN A 112 10.810 -44.496 2.040 1.00 0.00 N ATOM 0 H ASN A 112 8.916 -39.403 3.236 1.00 0.00 H new ATOM 0 HA ASN A 112 8.889 -41.590 3.684 1.00 0.00 H new ATOM 0 HB2 ASN A 112 9.712 -41.774 1.207 1.00 0.00 H new ATOM 0 HB3 ASN A 112 11.294 -42.067 1.902 1.00 0.00 H new ATOM 0 HD21 ASN A 112 10.625 -45.491 2.165 1.00 0.00 H new ATOM 0 HD22 ASN A 112 11.724 -44.185 1.711 1.00 0.00 H new ATOM 1658 N LEU A 113 11.068 -40.408 5.210 1.00 0.00 N ATOM 1659 CA LEU A 113 12.032 -40.442 6.305 1.00 0.00 C ATOM 1660 C LEU A 113 11.352 -40.814 7.618 1.00 0.00 C ATOM 1661 O LEU A 113 10.303 -40.268 7.961 1.00 0.00 O ATOM 1662 CB LEU A 113 12.725 -39.085 6.442 1.00 0.00 C ATOM 1663 CG LEU A 113 13.126 -38.677 7.860 1.00 0.00 C ATOM 1664 CD1 LEU A 113 14.332 -39.479 8.325 1.00 0.00 C ATOM 1665 CD2 LEU A 113 13.420 -37.185 7.923 1.00 0.00 C ATOM 0 H LEU A 113 10.550 -39.533 5.131 1.00 0.00 H new ATOM 0 HA LEU A 113 12.778 -41.203 6.076 1.00 0.00 H new ATOM 0 HB2 LEU A 113 13.620 -39.092 5.820 1.00 0.00 H new ATOM 0 HB3 LEU A 113 12.063 -38.319 6.038 1.00 0.00 H new ATOM 0 HG LEU A 113 12.292 -38.892 8.529 1.00 0.00 H new ATOM 0 HD11 LEU A 113 14.603 -39.175 9.336 1.00 0.00 H new ATOM 0 HD12 LEU A 113 14.087 -40.541 8.319 1.00 0.00 H new ATOM 0 HD13 LEU A 113 15.171 -39.296 7.654 1.00 0.00 H new ATOM 0 HD21 LEU A 113 13.704 -36.913 8.940 1.00 0.00 H new ATOM 0 HD22 LEU A 113 14.237 -36.946 7.242 1.00 0.00 H new ATOM 0 HD23 LEU A 113 12.530 -36.626 7.633 1.00 0.00 H new ATOM 1677 N ILE A 114 11.957 -41.744 8.349 1.00 0.00 N ATOM 1678 CA ILE A 114 11.411 -42.186 9.626 1.00 0.00 C ATOM 1679 C ILE A 114 10.803 -41.019 10.397 1.00 0.00 C ATOM 1680 O ILE A 114 11.314 -39.899 10.382 1.00 0.00 O ATOM 1681 CB ILE A 114 12.490 -42.856 10.498 1.00 0.00 C ATOM 1682 CG1 ILE A 114 13.674 -41.908 10.701 1.00 0.00 C ATOM 1683 CG2 ILE A 114 12.951 -44.159 9.862 1.00 0.00 C ATOM 1684 CD1 ILE A 114 14.418 -42.140 11.998 1.00 0.00 C ATOM 0 H ILE A 114 12.825 -42.206 8.079 1.00 0.00 H new ATOM 0 HA ILE A 114 10.633 -42.915 9.401 1.00 0.00 H new ATOM 0 HB ILE A 114 12.059 -43.083 11.473 1.00 0.00 H new ATOM 0 HG12 ILE A 114 14.368 -42.022 9.868 1.00 0.00 H new ATOM 0 HG13 ILE A 114 13.314 -40.879 10.677 1.00 0.00 H new ATOM 0 HG21 ILE A 114 13.713 -44.621 10.490 1.00 0.00 H new ATOM 0 HG22 ILE A 114 12.103 -44.836 9.764 1.00 0.00 H new ATOM 0 HG23 ILE A 114 13.368 -43.955 8.876 1.00 0.00 H new ATOM 0 HD11 ILE A 114 15.244 -41.433 12.075 1.00 0.00 H new ATOM 0 HD12 ILE A 114 13.738 -41.997 12.838 1.00 0.00 H new ATOM 0 HD13 ILE A 114 14.808 -43.158 12.017 1.00 0.00 H new ATOM 1696 N PRO A 115 9.686 -41.286 11.090 1.00 0.00 N ATOM 1697 CA PRO A 115 8.985 -40.272 11.883 1.00 0.00 C ATOM 1698 C PRO A 115 9.772 -39.859 13.122 1.00 0.00 C ATOM 1699 O PRO A 115 10.781 -40.475 13.462 1.00 0.00 O ATOM 1700 CB PRO A 115 7.684 -40.972 12.284 1.00 0.00 C ATOM 1701 CG PRO A 115 8.011 -42.426 12.253 1.00 0.00 C ATOM 1702 CD PRO A 115 9.022 -42.599 11.153 1.00 0.00 C ATOM 0 HA PRO A 115 8.833 -39.349 11.323 1.00 0.00 H new ATOM 0 HB2 PRO A 115 7.357 -40.661 13.276 1.00 0.00 H new ATOM 0 HB3 PRO A 115 6.876 -40.733 11.592 1.00 0.00 H new ATOM 0 HG2 PRO A 115 8.415 -42.756 13.210 1.00 0.00 H new ATOM 0 HG3 PRO A 115 7.119 -43.023 12.061 1.00 0.00 H new ATOM 0 HD2 PRO A 115 9.730 -43.397 11.379 1.00 0.00 H new ATOM 0 HD3 PRO A 115 8.546 -42.854 10.206 1.00 0.00 H new ATOM 1710 N SER A 116 9.303 -38.812 13.793 1.00 0.00 N ATOM 1711 CA SER A 116 9.965 -38.314 14.993 1.00 0.00 C ATOM 1712 C SER A 116 9.869 -39.330 16.127 1.00 0.00 C ATOM 1713 O SER A 116 8.777 -39.663 16.587 1.00 0.00 O ATOM 1714 CB SER A 116 9.344 -36.985 15.430 1.00 0.00 C ATOM 1715 OG SER A 116 10.029 -36.446 16.547 1.00 0.00 O ATOM 0 H SER A 116 8.467 -38.292 13.526 1.00 0.00 H new ATOM 0 HA SER A 116 11.017 -38.155 14.758 1.00 0.00 H new ATOM 0 HB2 SER A 116 9.376 -36.276 14.603 1.00 0.00 H new ATOM 0 HB3 SER A 116 8.294 -37.136 15.681 1.00 0.00 H new ATOM 0 HG SER A 116 9.615 -35.597 16.806 1.00 0.00 H new ATOM 1721 N ALA A 117 11.021 -39.819 16.574 1.00 0.00 N ATOM 1722 CA ALA A 117 11.069 -40.795 17.655 1.00 0.00 C ATOM 1723 C ALA A 117 12.480 -40.918 18.222 1.00 0.00 C ATOM 1724 O ALA A 117 13.450 -40.422 17.650 1.00 0.00 O ATOM 1725 CB ALA A 117 10.575 -42.149 17.167 1.00 0.00 C ATOM 0 H ALA A 117 11.934 -39.555 16.204 1.00 0.00 H new ATOM 0 HA ALA A 117 10.413 -40.448 18.453 1.00 0.00 H new ATOM 0 HB1 ALA A 117 10.617 -42.868 17.985 1.00 0.00 H new ATOM 0 HB2 ALA A 117 9.547 -42.057 16.817 1.00 0.00 H new ATOM 0 HB3 ALA A 117 11.207 -42.494 16.349 1.00 0.00 H new ATOM 1731 N PRO A 118 12.598 -41.595 19.374 1.00 0.00 N ATOM 1732 CA PRO A 118 13.887 -41.799 20.043 1.00 0.00 C ATOM 1733 C PRO A 118 14.794 -42.754 19.274 1.00 0.00 C ATOM 1734 O PRO A 118 14.979 -42.612 18.066 1.00 0.00 O ATOM 1735 CB PRO A 118 13.493 -42.405 21.392 1.00 0.00 C ATOM 1736 CG PRO A 118 12.177 -43.058 21.145 1.00 0.00 C ATOM 1737 CD PRO A 118 11.484 -42.214 20.111 1.00 0.00 C ATOM 0 HA PRO A 118 14.455 -40.873 20.126 1.00 0.00 H new ATOM 0 HB2 PRO A 118 14.235 -43.127 21.733 1.00 0.00 H new ATOM 0 HB3 PRO A 118 13.416 -41.638 22.163 1.00 0.00 H new ATOM 0 HG2 PRO A 118 12.309 -44.080 20.790 1.00 0.00 H new ATOM 0 HG3 PRO A 118 11.590 -43.112 22.062 1.00 0.00 H new ATOM 0 HD2 PRO A 118 10.855 -42.817 19.456 1.00 0.00 H new ATOM 0 HD3 PRO A 118 10.840 -41.464 20.570 1.00 0.00 H new TER 1745 PRO A 118