USER MOD reduce.3.24.130724 H: found=0, std=0, add=1084, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 1075 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 126 HIS : no HE2:sc= -2.69 K(o=-4.4,f=-1.9) USER MOD Set 1.2: A 130 ASN : amide:sc= -1.75 K(o=-4.4,f=-1.9) USER MOD Set 2.1: A 70 SER OG : rot 180:sc= 0.121 USER MOD Set 2.2: A 81 THR OG1 : rot -78:sc= 0.264 USER MOD Set 3.1: A 27 SER OG : rot 67:sc= 0.149 USER MOD Set 3.2: A 37 ASN : amide:sc= -1.23 K(o=-1.1,f=-11!) USER MOD Single : A 1 MET CE :methyl 173:sc= 0 (180deg=-0.063) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= -0.431 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -0.38 K(o=-0.38,f=-3!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 47:sc= 0.657! USER MOD Single : A 26 THR OG1 : rot -122:sc= 0.944 USER MOD Single : A 35 MET CE :methyl -114:sc= -1.09 (180deg=-3.4) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 HIS : no HD1:sc= 0.285 K(o=0.28,f=-3.2!) USER MOD Single : A 46 HIS : no HE2:sc= -0.109 K(o=-0.11,f=-0.7) USER MOD Single : A 48 HIS : no HD1:sc=-0.00698 X(o=-0.007,f=-0.0008) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 SER OG : rot 56:sc= 1.29 USER MOD Single : A 56 SER OG : rot 140:sc= 0 USER MOD Single : A 58 CYS SG : rot 57:sc= -0.908 USER MOD Single : A 59 GLN : amide:sc= -0.0515 K(o=-0.052,f=1.1) USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.406 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.0239 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HD1:sc= -0.243 X(o=-0.24,f=-0.068) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= -0.171 K(o=-0.17,f=-1.4!) USER MOD Single : A 91 THR OG1 : rot 100:sc= 0.633 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 HIS : no HE2:sc= -0.944 K(o=-0.94,f=-0.28) USER MOD Single : A 98 SER OG : rot -22:sc= -0.829 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 GLN : amide:sc= -0.725 K(o=-0.72,f=-4.3!) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ -174:sc= -1.18 (180deg=-1.27) USER MOD Single : A 114 SER OG : rot -119:sc= 0.00369 USER MOD Single : A 118 HIS : no HD1:sc= -2 X(o=-2,f=-1.7) USER MOD Single : A 121 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 135 GLN : amide:sc= -0.112 K(o=-0.11,f=-0.99) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.862 20.465 -14.893 1.00 0.00 N ATOM 2 CA MET A 1 -11.088 19.048 -14.664 1.00 0.00 C ATOM 3 C MET A 1 -10.737 18.229 -15.907 1.00 0.00 C ATOM 4 O MET A 1 -11.347 18.402 -16.961 1.00 0.00 O ATOM 5 CB MET A 1 -12.556 18.818 -14.297 1.00 0.00 C ATOM 6 CG MET A 1 -12.800 17.360 -13.904 1.00 0.00 C ATOM 7 SD MET A 1 -14.552 17.054 -13.749 1.00 0.00 S ATOM 8 CE MET A 1 -14.887 16.353 -15.357 1.00 0.00 C ATOM 0 H1 MET A 1 -11.108 20.999 -14.035 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.861 20.624 -15.125 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.456 20.788 -15.683 1.00 0.00 H new ATOM 0 HA MET A 1 -10.445 18.724 -13.846 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.835 19.473 -13.471 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.192 19.082 -15.142 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.372 16.696 -14.655 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.299 17.140 -12.961 1.00 0.00 H new ATOM 0 HE1 MET A 1 -15.914 15.989 -15.388 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.749 17.117 -16.123 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.203 15.525 -15.543 1.00 0.00 H new ATOM 18 N THR A 2 -9.756 17.354 -15.743 1.00 0.00 N ATOM 19 CA THR A 2 -9.317 16.508 -16.839 1.00 0.00 C ATOM 20 C THR A 2 -8.233 15.539 -16.363 1.00 0.00 C ATOM 21 O THR A 2 -7.236 15.956 -15.776 1.00 0.00 O ATOM 22 CB THR A 2 -8.861 17.415 -17.984 1.00 0.00 C ATOM 23 OG1 THR A 2 -8.114 16.550 -18.836 1.00 0.00 O ATOM 24 CG2 THR A 2 -7.842 18.462 -17.530 1.00 0.00 C ATOM 0 H THR A 2 -9.253 17.213 -14.867 1.00 0.00 H new ATOM 0 HA THR A 2 -10.131 15.882 -17.206 1.00 0.00 H new ATOM 0 HB THR A 2 -9.727 17.915 -18.418 1.00 0.00 H new ATOM 0 HG1 THR A 2 -7.782 17.057 -19.606 1.00 0.00 H new ATOM 0 HG21 THR A 2 -7.551 19.079 -18.380 1.00 0.00 H new ATOM 0 HG22 THR A 2 -8.286 19.092 -16.759 1.00 0.00 H new ATOM 0 HG23 THR A 2 -6.961 17.962 -17.127 1.00 0.00 H new ATOM 32 N ARG A 3 -8.464 14.263 -16.634 1.00 0.00 N ATOM 33 CA ARG A 3 -7.520 13.231 -16.241 1.00 0.00 C ATOM 34 C ARG A 3 -7.332 13.234 -14.722 1.00 0.00 C ATOM 35 O ARG A 3 -7.695 14.198 -14.051 1.00 0.00 O ATOM 36 CB ARG A 3 -6.163 13.439 -16.916 1.00 0.00 C ATOM 37 CG ARG A 3 -6.239 13.117 -18.410 1.00 0.00 C ATOM 38 CD ARG A 3 -5.638 14.249 -19.246 1.00 0.00 C ATOM 39 NE ARG A 3 -5.292 13.751 -20.597 1.00 0.00 N ATOM 40 CZ ARG A 3 -6.196 13.433 -21.534 1.00 0.00 C ATOM 41 NH1 ARG A 3 -7.504 13.559 -21.273 1.00 0.00 N ATOM 42 NH2 ARG A 3 -5.791 12.990 -22.732 1.00 0.00 N ATOM 0 H ARG A 3 -9.292 13.920 -17.121 1.00 0.00 H new ATOM 0 HA ARG A 3 -7.927 12.271 -16.559 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -5.839 14.471 -16.779 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -5.415 12.804 -16.441 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -5.706 12.188 -18.613 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -7.278 12.959 -18.699 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -6.349 15.072 -19.324 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -4.748 14.642 -18.755 1.00 0.00 H new ATOM 0 HE ARG A 3 -4.305 13.643 -20.829 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -7.812 13.897 -20.361 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -8.192 13.317 -21.986 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -4.795 12.895 -22.931 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -6.479 12.748 -23.445 1.00 0.00 H new ATOM 56 N LEU A 4 -6.765 12.144 -14.226 1.00 0.00 N ATOM 57 CA LEU A 4 -6.525 12.009 -12.799 1.00 0.00 C ATOM 58 C LEU A 4 -5.040 11.725 -12.562 1.00 0.00 C ATOM 59 O LEU A 4 -4.428 10.947 -13.292 1.00 0.00 O ATOM 60 CB LEU A 4 -7.457 10.956 -12.196 1.00 0.00 C ATOM 61 CG LEU A 4 -8.933 11.068 -12.580 1.00 0.00 C ATOM 62 CD1 LEU A 4 -9.597 9.690 -12.616 1.00 0.00 C ATOM 63 CD2 LEU A 4 -9.670 12.035 -11.649 1.00 0.00 C ATOM 0 H LEU A 4 -6.465 11.346 -14.787 1.00 0.00 H new ATOM 0 HA LEU A 4 -6.759 12.940 -12.283 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -7.099 9.970 -12.492 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -7.379 11.010 -11.110 1.00 0.00 H new ATOM 0 HG LEU A 4 -8.993 11.481 -13.587 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -10.646 9.799 -12.892 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -9.092 9.062 -13.350 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -9.527 9.226 -11.632 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -10.718 12.097 -11.944 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -9.602 11.674 -10.623 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -9.215 13.023 -11.717 1.00 0.00 H new ATOM 75 N PRO A 5 -4.490 12.389 -11.510 1.00 0.00 N ATOM 76 CA PRO A 5 -3.089 12.216 -11.167 1.00 0.00 C ATOM 77 C PRO A 5 -2.854 10.867 -10.483 1.00 0.00 C ATOM 78 O PRO A 5 -3.697 9.974 -10.558 1.00 0.00 O ATOM 79 CB PRO A 5 -2.753 13.400 -10.274 1.00 0.00 C ATOM 80 CG PRO A 5 -4.085 13.935 -9.774 1.00 0.00 C ATOM 81 CD PRO A 5 -5.184 13.317 -10.623 1.00 0.00 C ATOM 0 HA PRO A 5 -2.441 12.198 -12.043 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -2.118 13.094 -9.443 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -2.208 14.165 -10.827 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -4.227 13.683 -8.723 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -4.112 15.022 -9.848 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -5.918 12.800 -10.005 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -5.722 14.078 -11.189 1.00 0.00 H new ATOM 89 N ASP A 6 -1.704 10.761 -9.833 1.00 0.00 N ATOM 90 CA ASP A 6 -1.348 9.536 -9.137 1.00 0.00 C ATOM 91 C ASP A 6 -1.605 9.713 -7.639 1.00 0.00 C ATOM 92 O ASP A 6 -1.282 10.754 -7.069 1.00 0.00 O ATOM 93 CB ASP A 6 0.133 9.206 -9.327 1.00 0.00 C ATOM 94 CG ASP A 6 0.634 7.999 -8.530 1.00 0.00 C ATOM 95 OD1 ASP A 6 0.228 7.888 -7.354 1.00 0.00 O ATOM 96 OD2 ASP A 6 1.412 7.216 -9.116 1.00 0.00 O ATOM 0 H ASP A 6 -1.007 11.503 -9.774 1.00 0.00 H new ATOM 0 HA ASP A 6 -1.953 8.727 -9.546 1.00 0.00 H new ATOM 0 HB2 ASP A 6 0.316 9.025 -10.386 1.00 0.00 H new ATOM 0 HB3 ASP A 6 0.723 10.078 -9.046 1.00 0.00 H new ATOM 101 N ILE A 7 -2.183 8.680 -7.044 1.00 0.00 N ATOM 102 CA ILE A 7 -2.487 8.708 -5.624 1.00 0.00 C ATOM 103 C ILE A 7 -1.194 8.520 -4.827 1.00 0.00 C ATOM 104 O ILE A 7 -1.049 7.542 -4.095 1.00 0.00 O ATOM 105 CB ILE A 7 -3.571 7.682 -5.287 1.00 0.00 C ATOM 106 CG1 ILE A 7 -4.864 7.981 -6.049 1.00 0.00 C ATOM 107 CG2 ILE A 7 -3.801 7.603 -3.777 1.00 0.00 C ATOM 108 CD1 ILE A 7 -5.920 6.907 -5.779 1.00 0.00 C ATOM 0 H ILE A 7 -2.449 7.818 -7.520 1.00 0.00 H new ATOM 0 HA ILE A 7 -2.899 9.677 -5.342 1.00 0.00 H new ATOM 0 HB ILE A 7 -3.225 6.701 -5.611 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -5.248 8.957 -5.752 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -4.657 8.032 -7.118 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -4.576 6.867 -3.565 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -2.875 7.308 -3.283 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -4.116 8.578 -3.405 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -6.829 7.143 -6.332 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -5.542 5.936 -6.100 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -6.142 6.875 -4.712 1.00 0.00 H new ATOM 120 N LYS A 8 -0.289 9.473 -4.996 1.00 0.00 N ATOM 121 CA LYS A 8 0.986 9.425 -4.301 1.00 0.00 C ATOM 122 C LYS A 8 0.851 10.122 -2.946 1.00 0.00 C ATOM 123 O LYS A 8 0.459 11.286 -2.879 1.00 0.00 O ATOM 124 CB LYS A 8 2.097 10.002 -5.181 1.00 0.00 C ATOM 125 CG LYS A 8 3.400 10.149 -4.392 1.00 0.00 C ATOM 126 CD LYS A 8 4.480 10.827 -5.238 1.00 0.00 C ATOM 127 CE LYS A 8 5.713 11.154 -4.394 1.00 0.00 C ATOM 128 NZ LYS A 8 6.873 11.450 -5.264 1.00 0.00 N ATOM 0 H LYS A 8 -0.413 10.283 -5.604 1.00 0.00 H new ATOM 0 HA LYS A 8 1.272 8.392 -4.101 1.00 0.00 H new ATOM 0 HB2 LYS A 8 2.260 9.352 -6.041 1.00 0.00 H new ATOM 0 HB3 LYS A 8 1.791 10.973 -5.569 1.00 0.00 H new ATOM 0 HG2 LYS A 8 3.219 10.734 -3.490 1.00 0.00 H new ATOM 0 HG3 LYS A 8 3.748 9.167 -4.071 1.00 0.00 H new ATOM 0 HD2 LYS A 8 4.763 10.174 -6.064 1.00 0.00 H new ATOM 0 HD3 LYS A 8 4.082 11.742 -5.677 1.00 0.00 H new ATOM 0 HE2 LYS A 8 5.505 12.010 -3.752 1.00 0.00 H new ATOM 0 HE3 LYS A 8 5.946 10.314 -3.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 7.701 11.670 -4.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 7.081 10.623 -5.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 6.653 12.266 -5.870 1.00 0.00 H new ATOM 142 N LYS A 9 1.182 9.380 -1.899 1.00 0.00 N ATOM 143 CA LYS A 9 1.102 9.912 -0.549 1.00 0.00 C ATOM 144 C LYS A 9 2.356 9.508 0.228 1.00 0.00 C ATOM 145 O LYS A 9 3.006 8.519 -0.105 1.00 0.00 O ATOM 146 CB LYS A 9 -0.203 9.479 0.121 1.00 0.00 C ATOM 147 CG LYS A 9 -1.414 10.079 -0.597 1.00 0.00 C ATOM 148 CD LYS A 9 -1.933 11.313 0.143 1.00 0.00 C ATOM 149 CE LYS A 9 -3.435 11.499 -0.086 1.00 0.00 C ATOM 150 NZ LYS A 9 -3.937 12.659 0.683 1.00 0.00 N ATOM 0 H LYS A 9 1.506 8.415 -1.958 1.00 0.00 H new ATOM 0 HA LYS A 9 1.076 11.002 -0.569 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -0.275 8.391 0.116 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -0.202 9.794 1.165 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.139 10.350 -1.616 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.206 9.333 -0.668 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -1.734 11.212 1.210 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -1.397 12.198 -0.199 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -3.631 11.647 -1.148 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -3.969 10.597 0.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -4.957 12.771 0.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -3.767 12.503 1.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -3.440 13.520 0.377 1.00 0.00 H new ATOM 164 N GLU A 10 2.658 10.295 1.251 1.00 0.00 N ATOM 165 CA GLU A 10 3.823 10.032 2.078 1.00 0.00 C ATOM 166 C GLU A 10 3.492 10.274 3.553 1.00 0.00 C ATOM 167 O GLU A 10 2.773 11.214 3.885 1.00 0.00 O ATOM 168 CB GLU A 10 5.014 10.886 1.637 1.00 0.00 C ATOM 169 CG GLU A 10 6.262 10.552 2.456 1.00 0.00 C ATOM 170 CD GLU A 10 6.387 11.479 3.667 1.00 0.00 C ATOM 171 OE1 GLU A 10 5.739 12.547 3.634 1.00 0.00 O ATOM 172 OE2 GLU A 10 7.128 11.098 4.599 1.00 0.00 O ATOM 0 H GLU A 10 2.116 11.114 1.525 1.00 0.00 H new ATOM 0 HA GLU A 10 4.103 8.986 1.954 1.00 0.00 H new ATOM 0 HB2 GLU A 10 5.214 10.719 0.579 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.771 11.942 1.752 1.00 0.00 H new ATOM 0 HG2 GLU A 10 6.216 9.516 2.790 1.00 0.00 H new ATOM 0 HG3 GLU A 10 7.149 10.645 1.829 1.00 0.00 H new ATOM 179 N VAL A 11 4.033 9.408 4.397 1.00 0.00 N ATOM 180 CA VAL A 11 3.804 9.515 5.828 1.00 0.00 C ATOM 181 C VAL A 11 5.112 9.241 6.572 1.00 0.00 C ATOM 182 O VAL A 11 6.037 8.653 6.012 1.00 0.00 O ATOM 183 CB VAL A 11 2.669 8.578 6.248 1.00 0.00 C ATOM 184 CG1 VAL A 11 1.314 9.280 6.151 1.00 0.00 C ATOM 185 CG2 VAL A 11 2.683 7.294 5.416 1.00 0.00 C ATOM 0 H VAL A 11 4.629 8.629 4.117 1.00 0.00 H new ATOM 0 HA VAL A 11 3.487 10.525 6.089 1.00 0.00 H new ATOM 0 HB VAL A 11 2.829 8.304 7.291 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.525 8.592 6.455 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.308 10.151 6.806 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.142 9.598 5.123 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.867 6.645 5.734 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.560 7.542 4.362 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.633 6.778 5.558 1.00 0.00 H new ATOM 195 N ARG A 12 5.149 9.680 7.821 1.00 0.00 N ATOM 196 CA ARG A 12 6.329 9.489 8.647 1.00 0.00 C ATOM 197 C ARG A 12 5.950 8.812 9.966 1.00 0.00 C ATOM 198 O ARG A 12 5.127 9.329 10.719 1.00 0.00 O ATOM 199 CB ARG A 12 7.014 10.824 8.946 1.00 0.00 C ATOM 200 CG ARG A 12 8.287 10.615 9.769 1.00 0.00 C ATOM 201 CD ARG A 12 8.648 11.880 10.551 1.00 0.00 C ATOM 202 NE ARG A 12 8.848 11.552 11.980 1.00 0.00 N ATOM 203 CZ ARG A 12 8.847 12.459 12.966 1.00 0.00 C ATOM 204 NH1 ARG A 12 8.656 13.755 12.685 1.00 0.00 N ATOM 205 NH2 ARG A 12 9.037 12.070 14.234 1.00 0.00 N ATOM 0 H ARG A 12 4.381 10.168 8.281 1.00 0.00 H new ATOM 0 HA ARG A 12 7.021 8.854 8.094 1.00 0.00 H new ATOM 0 HB2 ARG A 12 7.260 11.328 8.011 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.329 11.475 9.489 1.00 0.00 H new ATOM 0 HG2 ARG A 12 8.145 9.784 10.460 1.00 0.00 H new ATOM 0 HG3 ARG A 12 9.111 10.344 9.109 1.00 0.00 H new ATOM 0 HD2 ARG A 12 9.555 12.324 10.141 1.00 0.00 H new ATOM 0 HD3 ARG A 12 7.855 12.621 10.447 1.00 0.00 H new ATOM 0 HE ARG A 12 8.996 10.574 12.230 1.00 0.00 H new ATOM 0 HH11 ARG A 12 8.511 14.052 11.720 1.00 0.00 H new ATOM 0 HH12 ARG A 12 8.655 14.445 13.436 1.00 0.00 H new ATOM 0 HH21 ARG A 12 9.182 11.083 14.448 1.00 0.00 H new ATOM 0 HH22 ARG A 12 9.036 12.760 14.985 1.00 0.00 H new ATOM 219 N PHE A 13 6.569 7.665 10.204 1.00 0.00 N ATOM 220 CA PHE A 13 6.307 6.911 11.419 1.00 0.00 C ATOM 221 C PHE A 13 7.575 6.776 12.264 1.00 0.00 C ATOM 222 O PHE A 13 8.682 6.743 11.729 1.00 0.00 O ATOM 223 CB PHE A 13 5.844 5.518 10.989 1.00 0.00 C ATOM 224 CG PHE A 13 4.558 5.517 10.161 1.00 0.00 C ATOM 225 CD1 PHE A 13 3.549 6.376 10.471 1.00 0.00 C ATOM 226 CD2 PHE A 13 4.422 4.659 9.115 1.00 0.00 C ATOM 227 CE1 PHE A 13 2.355 6.375 9.702 1.00 0.00 C ATOM 228 CE2 PHE A 13 3.228 4.658 8.347 1.00 0.00 C ATOM 229 CZ PHE A 13 2.220 5.516 8.657 1.00 0.00 C ATOM 0 H PHE A 13 7.251 7.239 9.576 1.00 0.00 H new ATOM 0 HA PHE A 13 5.555 7.422 12.020 1.00 0.00 H new ATOM 0 HB2 PHE A 13 6.637 5.046 10.410 1.00 0.00 H new ATOM 0 HB3 PHE A 13 5.692 4.907 11.878 1.00 0.00 H new ATOM 0 HD1 PHE A 13 3.656 7.058 11.301 1.00 0.00 H new ATOM 0 HD2 PHE A 13 5.223 3.978 8.868 1.00 0.00 H new ATOM 0 HE1 PHE A 13 1.554 7.057 9.947 1.00 0.00 H new ATOM 0 HE2 PHE A 13 3.120 3.976 7.517 1.00 0.00 H new ATOM 0 HZ PHE A 13 1.312 5.515 8.073 1.00 0.00 H new ATOM 239 N ASN A 14 7.371 6.702 13.571 1.00 0.00 N ATOM 240 CA ASN A 14 8.484 6.571 14.496 1.00 0.00 C ATOM 241 C ASN A 14 8.730 5.089 14.785 1.00 0.00 C ATOM 242 O ASN A 14 8.018 4.482 15.584 1.00 0.00 O ATOM 243 CB ASN A 14 8.181 7.268 15.824 1.00 0.00 C ATOM 244 CG ASN A 14 9.186 8.389 16.097 1.00 0.00 C ATOM 245 OD1 ASN A 14 10.010 8.735 15.266 1.00 0.00 O ATOM 246 ND2 ASN A 14 9.072 8.936 17.304 1.00 0.00 N ATOM 0 H ASN A 14 6.451 6.730 14.011 1.00 0.00 H new ATOM 0 HA ASN A 14 9.359 7.032 14.038 1.00 0.00 H new ATOM 0 HB2 ASN A 14 7.171 7.678 15.802 1.00 0.00 H new ATOM 0 HB3 ASN A 14 8.212 6.541 16.636 1.00 0.00 H new ATOM 0 HD21 ASN A 14 9.697 9.693 17.582 1.00 0.00 H new ATOM 0 HD22 ASN A 14 8.360 8.599 17.952 1.00 0.00 H new ATOM 253 N ALA A 15 9.740 4.549 14.120 1.00 0.00 N ATOM 254 CA ALA A 15 10.089 3.149 14.296 1.00 0.00 C ATOM 255 C ALA A 15 11.286 2.811 13.404 1.00 0.00 C ATOM 256 O ALA A 15 11.608 3.558 12.481 1.00 0.00 O ATOM 257 CB ALA A 15 8.870 2.277 13.991 1.00 0.00 C ATOM 0 H ALA A 15 10.328 5.055 13.458 1.00 0.00 H new ATOM 0 HA ALA A 15 10.380 2.952 15.328 1.00 0.00 H new ATOM 0 HB1 ALA A 15 9.132 1.227 14.123 1.00 0.00 H new ATOM 0 HB2 ALA A 15 8.058 2.537 14.670 1.00 0.00 H new ATOM 0 HB3 ALA A 15 8.551 2.445 12.962 1.00 0.00 H new ATOM 263 N PRO A 16 11.928 1.655 13.720 1.00 0.00 N ATOM 264 CA PRO A 16 13.082 1.208 12.958 1.00 0.00 C ATOM 265 C PRO A 16 12.658 0.643 11.601 1.00 0.00 C ATOM 266 O PRO A 16 11.842 -0.275 11.534 1.00 0.00 O ATOM 267 CB PRO A 16 13.764 0.178 13.844 1.00 0.00 C ATOM 268 CG PRO A 16 12.719 -0.254 14.861 1.00 0.00 C ATOM 269 CD PRO A 16 11.575 0.745 14.806 1.00 0.00 C ATOM 0 HA PRO A 16 13.767 2.021 12.716 1.00 0.00 H new ATOM 0 HB2 PRO A 16 14.113 -0.672 13.258 1.00 0.00 H new ATOM 0 HB3 PRO A 16 14.637 0.604 14.338 1.00 0.00 H new ATOM 0 HG2 PRO A 16 12.360 -1.258 14.636 1.00 0.00 H new ATOM 0 HG3 PRO A 16 13.150 -0.286 15.862 1.00 0.00 H new ATOM 0 HD2 PRO A 16 10.624 0.248 14.613 1.00 0.00 H new ATOM 0 HD3 PRO A 16 11.469 1.278 15.751 1.00 0.00 H new ATOM 277 N ILE A 17 13.232 1.214 10.552 1.00 0.00 N ATOM 278 CA ILE A 17 12.924 0.779 9.201 1.00 0.00 C ATOM 279 C ILE A 17 13.010 -0.747 9.129 1.00 0.00 C ATOM 280 O ILE A 17 12.308 -1.376 8.338 1.00 0.00 O ATOM 281 CB ILE A 17 13.822 1.494 8.189 1.00 0.00 C ATOM 282 CG1 ILE A 17 13.341 1.246 6.758 1.00 0.00 C ATOM 283 CG2 ILE A 17 15.287 1.095 8.379 1.00 0.00 C ATOM 284 CD1 ILE A 17 13.959 2.257 5.790 1.00 0.00 C ATOM 0 H ILE A 17 13.909 1.975 10.611 1.00 0.00 H new ATOM 0 HA ILE A 17 11.903 1.054 8.936 1.00 0.00 H new ATOM 0 HB ILE A 17 13.754 2.567 8.370 1.00 0.00 H new ATOM 0 HG12 ILE A 17 13.606 0.234 6.451 1.00 0.00 H new ATOM 0 HG13 ILE A 17 12.254 1.316 6.718 1.00 0.00 H new ATOM 0 HG21 ILE A 17 15.904 1.617 7.648 1.00 0.00 H new ATOM 0 HG22 ILE A 17 15.610 1.364 9.385 1.00 0.00 H new ATOM 0 HG23 ILE A 17 15.392 0.019 8.240 1.00 0.00 H new ATOM 0 HD11 ILE A 17 13.601 2.059 4.780 1.00 0.00 H new ATOM 0 HD12 ILE A 17 13.672 3.266 6.085 1.00 0.00 H new ATOM 0 HD13 ILE A 17 15.045 2.167 5.814 1.00 0.00 H new ATOM 296 N GLU A 18 13.877 -1.299 9.965 1.00 0.00 N ATOM 297 CA GLU A 18 14.065 -2.739 10.006 1.00 0.00 C ATOM 298 C GLU A 18 12.737 -3.439 10.303 1.00 0.00 C ATOM 299 O GLU A 18 12.512 -4.565 9.861 1.00 0.00 O ATOM 300 CB GLU A 18 15.129 -3.125 11.036 1.00 0.00 C ATOM 301 CG GLU A 18 16.093 -4.166 10.464 1.00 0.00 C ATOM 302 CD GLU A 18 16.301 -5.319 11.448 1.00 0.00 C ATOM 303 OE1 GLU A 18 15.282 -5.945 11.813 1.00 0.00 O ATOM 304 OE2 GLU A 18 17.474 -5.549 11.814 1.00 0.00 O ATOM 0 H GLU A 18 14.457 -0.775 10.620 1.00 0.00 H new ATOM 0 HA GLU A 18 14.417 -3.067 9.028 1.00 0.00 H new ATOM 0 HB2 GLU A 18 15.685 -2.238 11.340 1.00 0.00 H new ATOM 0 HB3 GLU A 18 14.648 -3.522 11.930 1.00 0.00 H new ATOM 0 HG2 GLU A 18 15.701 -4.552 9.523 1.00 0.00 H new ATOM 0 HG3 GLU A 18 17.051 -3.696 10.241 1.00 0.00 H new ATOM 311 N LYS A 19 11.891 -2.743 11.049 1.00 0.00 N ATOM 312 CA LYS A 19 10.592 -3.284 11.410 1.00 0.00 C ATOM 313 C LYS A 19 9.582 -2.948 10.310 1.00 0.00 C ATOM 314 O LYS A 19 8.927 -3.838 9.771 1.00 0.00 O ATOM 315 CB LYS A 19 10.175 -2.795 12.798 1.00 0.00 C ATOM 316 CG LYS A 19 9.264 -3.813 13.487 1.00 0.00 C ATOM 317 CD LYS A 19 8.231 -3.114 14.373 1.00 0.00 C ATOM 318 CE LYS A 19 7.112 -4.077 14.775 1.00 0.00 C ATOM 319 NZ LYS A 19 7.410 -4.699 16.085 1.00 0.00 N ATOM 0 H LYS A 19 12.080 -1.809 11.413 1.00 0.00 H new ATOM 0 HA LYS A 19 10.638 -4.371 11.481 1.00 0.00 H new ATOM 0 HB2 LYS A 19 11.062 -2.623 13.408 1.00 0.00 H new ATOM 0 HB3 LYS A 19 9.658 -1.839 12.711 1.00 0.00 H new ATOM 0 HG2 LYS A 19 8.755 -4.417 12.736 1.00 0.00 H new ATOM 0 HG3 LYS A 19 9.865 -4.494 14.090 1.00 0.00 H new ATOM 0 HD2 LYS A 19 8.718 -2.723 15.267 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.808 -2.261 13.842 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.164 -3.541 14.827 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.999 -4.851 14.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.641 -5.350 16.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 8.304 -5.227 16.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 7.495 -3.958 16.810 1.00 0.00 H new ATOM 333 N VAL A 20 9.487 -1.660 10.012 1.00 0.00 N ATOM 334 CA VAL A 20 8.568 -1.196 8.987 1.00 0.00 C ATOM 335 C VAL A 20 8.832 -1.959 7.687 1.00 0.00 C ATOM 336 O VAL A 20 7.895 -2.367 7.002 1.00 0.00 O ATOM 337 CB VAL A 20 8.688 0.321 8.824 1.00 0.00 C ATOM 338 CG1 VAL A 20 7.749 0.831 7.729 1.00 0.00 C ATOM 339 CG2 VAL A 20 8.424 1.037 10.150 1.00 0.00 C ATOM 0 H VAL A 20 10.031 -0.924 10.462 1.00 0.00 H new ATOM 0 HA VAL A 20 7.537 -1.398 9.279 1.00 0.00 H new ATOM 0 HB VAL A 20 9.710 0.545 8.520 1.00 0.00 H new ATOM 0 HG11 VAL A 20 7.854 1.912 7.634 1.00 0.00 H new ATOM 0 HG12 VAL A 20 8.004 0.357 6.781 1.00 0.00 H new ATOM 0 HG13 VAL A 20 6.719 0.588 7.991 1.00 0.00 H new ATOM 0 HG21 VAL A 20 8.516 2.114 10.007 1.00 0.00 H new ATOM 0 HG22 VAL A 20 7.418 0.801 10.497 1.00 0.00 H new ATOM 0 HG23 VAL A 20 9.150 0.707 10.893 1.00 0.00 H new ATOM 349 N TRP A 21 10.111 -2.128 7.387 1.00 0.00 N ATOM 350 CA TRP A 21 10.510 -2.835 6.182 1.00 0.00 C ATOM 351 C TRP A 21 9.910 -4.242 6.239 1.00 0.00 C ATOM 352 O TRP A 21 9.203 -4.656 5.321 1.00 0.00 O ATOM 353 CB TRP A 21 12.032 -2.841 6.028 1.00 0.00 C ATOM 354 CG TRP A 21 12.536 -3.682 4.854 1.00 0.00 C ATOM 355 CD1 TRP A 21 13.435 -4.675 4.876 1.00 0.00 C ATOM 356 CD2 TRP A 21 12.129 -3.563 3.474 1.00 0.00 C ATOM 357 NE1 TRP A 21 13.638 -5.202 3.617 1.00 0.00 N ATOM 358 CE2 TRP A 21 12.818 -4.505 2.737 1.00 0.00 C ATOM 359 CE3 TRP A 21 11.209 -2.689 2.869 1.00 0.00 C ATOM 360 CZ2 TRP A 21 12.660 -4.663 1.355 1.00 0.00 C ATOM 361 CZ3 TRP A 21 11.063 -2.860 1.487 1.00 0.00 C ATOM 362 CH2 TRP A 21 11.749 -3.803 0.731 1.00 0.00 C ATOM 0 H TRP A 21 10.885 -1.787 7.958 1.00 0.00 H new ATOM 0 HA TRP A 21 10.130 -2.329 5.295 1.00 0.00 H new ATOM 0 HB2 TRP A 21 12.378 -1.815 5.901 1.00 0.00 H new ATOM 0 HB3 TRP A 21 12.478 -3.217 6.949 1.00 0.00 H new ATOM 0 HD1 TRP A 21 13.938 -5.020 5.767 1.00 0.00 H new ATOM 0 HE1 TRP A 21 14.273 -5.963 3.376 1.00 0.00 H new ATOM 0 HE3 TRP A 21 10.659 -1.945 3.426 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 13.211 -5.408 0.800 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 10.368 -2.213 0.972 1.00 0.00 H new ATOM 0 HH2 TRP A 21 11.580 -3.872 -0.333 1.00 0.00 H new ATOM 373 N GLU A 22 10.214 -4.937 7.325 1.00 0.00 N ATOM 374 CA GLU A 22 9.713 -6.288 7.513 1.00 0.00 C ATOM 375 C GLU A 22 8.183 -6.293 7.506 1.00 0.00 C ATOM 376 O GLU A 22 7.563 -7.305 7.184 1.00 0.00 O ATOM 377 CB GLU A 22 10.258 -6.900 8.805 1.00 0.00 C ATOM 378 CG GLU A 22 11.095 -8.146 8.511 1.00 0.00 C ATOM 379 CD GLU A 22 11.438 -8.893 9.802 1.00 0.00 C ATOM 380 OE1 GLU A 22 11.438 -8.227 10.860 1.00 0.00 O ATOM 381 OE2 GLU A 22 11.694 -10.112 9.701 1.00 0.00 O ATOM 0 H GLU A 22 10.801 -4.590 8.084 1.00 0.00 H new ATOM 0 HA GLU A 22 10.062 -6.903 6.683 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.867 -6.165 9.331 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.431 -7.161 9.465 1.00 0.00 H new ATOM 0 HG2 GLU A 22 10.547 -8.806 7.839 1.00 0.00 H new ATOM 0 HG3 GLU A 22 12.013 -7.859 7.998 1.00 0.00 H new ATOM 388 N ALA A 23 7.618 -5.150 7.866 1.00 0.00 N ATOM 389 CA ALA A 23 6.172 -5.010 7.906 1.00 0.00 C ATOM 390 C ALA A 23 5.639 -4.866 6.479 1.00 0.00 C ATOM 391 O ALA A 23 4.436 -4.976 6.248 1.00 0.00 O ATOM 392 CB ALA A 23 5.799 -3.819 8.791 1.00 0.00 C ATOM 0 H ALA A 23 8.135 -4.312 8.133 1.00 0.00 H new ATOM 0 HA ALA A 23 5.712 -5.897 8.342 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.715 -3.714 8.821 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.176 -3.984 9.800 1.00 0.00 H new ATOM 0 HB3 ALA A 23 6.241 -2.910 8.383 1.00 0.00 H new ATOM 398 N VAL A 24 6.560 -4.621 5.559 1.00 0.00 N ATOM 399 CA VAL A 24 6.197 -4.460 4.161 1.00 0.00 C ATOM 400 C VAL A 24 6.974 -5.473 3.318 1.00 0.00 C ATOM 401 O VAL A 24 7.051 -5.341 2.097 1.00 0.00 O ATOM 402 CB VAL A 24 6.431 -3.013 3.723 1.00 0.00 C ATOM 403 CG1 VAL A 24 5.596 -2.044 4.564 1.00 0.00 C ATOM 404 CG2 VAL A 24 7.917 -2.654 3.786 1.00 0.00 C ATOM 0 H VAL A 24 7.557 -4.530 5.754 1.00 0.00 H new ATOM 0 HA VAL A 24 5.136 -4.662 4.016 1.00 0.00 H new ATOM 0 HB VAL A 24 6.108 -2.920 2.686 1.00 0.00 H new ATOM 0 HG11 VAL A 24 5.781 -1.022 4.232 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.538 -2.278 4.446 1.00 0.00 H new ATOM 0 HG13 VAL A 24 5.874 -2.141 5.614 1.00 0.00 H new ATOM 0 HG21 VAL A 24 8.055 -1.620 3.470 1.00 0.00 H new ATOM 0 HG22 VAL A 24 8.277 -2.772 4.808 1.00 0.00 H new ATOM 0 HG23 VAL A 24 8.479 -3.314 3.125 1.00 0.00 H new ATOM 414 N SER A 25 7.532 -6.461 4.002 1.00 0.00 N ATOM 415 CA SER A 25 8.300 -7.496 3.331 1.00 0.00 C ATOM 416 C SER A 25 7.792 -8.878 3.746 1.00 0.00 C ATOM 417 O SER A 25 8.410 -9.892 3.427 1.00 0.00 O ATOM 418 CB SER A 25 9.792 -7.363 3.642 1.00 0.00 C ATOM 419 OG SER A 25 10.293 -8.494 4.349 1.00 0.00 O ATOM 0 H SER A 25 7.468 -6.567 5.014 1.00 0.00 H new ATOM 0 HA SER A 25 8.168 -7.376 2.256 1.00 0.00 H new ATOM 0 HB2 SER A 25 10.347 -7.242 2.712 1.00 0.00 H new ATOM 0 HB3 SER A 25 9.960 -6.463 4.233 1.00 0.00 H new ATOM 0 HG SER A 25 9.977 -9.315 3.918 1.00 0.00 H new ATOM 425 N THR A 26 6.672 -8.873 4.453 1.00 0.00 N ATOM 426 CA THR A 26 6.074 -10.114 4.916 1.00 0.00 C ATOM 427 C THR A 26 4.576 -10.133 4.604 1.00 0.00 C ATOM 428 O THR A 26 3.990 -9.098 4.293 1.00 0.00 O ATOM 429 CB THR A 26 6.386 -10.262 6.407 1.00 0.00 C ATOM 430 OG1 THR A 26 5.918 -9.045 6.982 1.00 0.00 O ATOM 431 CG2 THR A 26 7.889 -10.256 6.694 1.00 0.00 C ATOM 0 H THR A 26 6.163 -8.030 4.717 1.00 0.00 H new ATOM 0 HA THR A 26 6.494 -10.974 4.394 1.00 0.00 H new ATOM 0 HB THR A 26 5.949 -11.189 6.779 1.00 0.00 H new ATOM 0 HG1 THR A 26 6.657 -8.596 7.443 1.00 0.00 H new ATOM 0 HG21 THR A 26 8.055 -10.364 7.766 1.00 0.00 H new ATOM 0 HG22 THR A 26 8.363 -11.085 6.168 1.00 0.00 H new ATOM 0 HG23 THR A 26 8.321 -9.315 6.353 1.00 0.00 H new ATOM 439 N SER A 27 4.000 -11.323 4.698 1.00 0.00 N ATOM 440 CA SER A 27 2.582 -11.491 4.429 1.00 0.00 C ATOM 441 C SER A 27 1.763 -11.044 5.642 1.00 0.00 C ATOM 442 O SER A 27 0.826 -10.259 5.507 1.00 0.00 O ATOM 443 CB SER A 27 2.257 -12.943 4.075 1.00 0.00 C ATOM 444 OG SER A 27 2.718 -13.292 2.773 1.00 0.00 O ATOM 0 H SER A 27 4.490 -12.180 4.957 1.00 0.00 H new ATOM 0 HA SER A 27 2.320 -10.870 3.573 1.00 0.00 H new ATOM 0 HB2 SER A 27 2.713 -13.606 4.810 1.00 0.00 H new ATOM 0 HB3 SER A 27 1.179 -13.097 4.131 1.00 0.00 H new ATOM 0 HG SER A 27 3.698 -13.291 2.762 1.00 0.00 H new ATOM 450 N GLU A 28 2.148 -11.562 6.799 1.00 0.00 N ATOM 451 CA GLU A 28 1.461 -11.226 8.034 1.00 0.00 C ATOM 452 C GLU A 28 1.623 -9.736 8.344 1.00 0.00 C ATOM 453 O GLU A 28 0.744 -9.124 8.948 1.00 0.00 O ATOM 454 CB GLU A 28 1.967 -12.085 9.195 1.00 0.00 C ATOM 455 CG GLU A 28 0.861 -13.000 9.723 1.00 0.00 C ATOM 456 CD GLU A 28 1.244 -13.598 11.078 1.00 0.00 C ATOM 457 OE1 GLU A 28 2.432 -13.959 11.223 1.00 0.00 O ATOM 458 OE2 GLU A 28 0.341 -13.681 11.937 1.00 0.00 O ATOM 0 H GLU A 28 2.927 -12.212 6.907 1.00 0.00 H new ATOM 0 HA GLU A 28 0.400 -11.437 7.904 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.814 -12.686 8.865 1.00 0.00 H new ATOM 0 HB3 GLU A 28 2.326 -11.442 9.998 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.067 -12.436 9.820 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.674 -13.801 9.008 1.00 0.00 H new ATOM 465 N GLY A 29 2.755 -9.195 7.916 1.00 0.00 N ATOM 466 CA GLY A 29 3.044 -7.789 8.139 1.00 0.00 C ATOM 467 C GLY A 29 2.203 -6.903 7.217 1.00 0.00 C ATOM 468 O GLY A 29 1.686 -5.872 7.644 1.00 0.00 O ATOM 0 H GLY A 29 3.483 -9.706 7.416 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.842 -7.533 9.179 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.103 -7.600 7.964 1.00 0.00 H new ATOM 472 N LEU A 30 2.093 -7.338 5.971 1.00 0.00 N ATOM 473 CA LEU A 30 1.324 -6.597 4.985 1.00 0.00 C ATOM 474 C LEU A 30 -0.167 -6.752 5.287 1.00 0.00 C ATOM 475 O LEU A 30 -0.875 -5.761 5.464 1.00 0.00 O ATOM 476 CB LEU A 30 1.713 -7.028 3.569 1.00 0.00 C ATOM 477 CG LEU A 30 2.624 -6.067 2.802 1.00 0.00 C ATOM 478 CD1 LEU A 30 3.910 -6.767 2.360 1.00 0.00 C ATOM 479 CD2 LEU A 30 1.883 -5.431 1.624 1.00 0.00 C ATOM 0 H LEU A 30 2.523 -8.194 5.621 1.00 0.00 H new ATOM 0 HA LEU A 30 1.553 -5.533 5.044 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.208 -7.997 3.629 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.800 -7.172 2.991 1.00 0.00 H new ATOM 0 HG LEU A 30 2.912 -5.259 3.475 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.540 -6.062 1.817 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.446 -7.132 3.237 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.662 -7.607 1.711 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.553 -4.753 1.096 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.546 -6.212 0.942 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.021 -4.875 1.994 1.00 0.00 H new ATOM 491 N ALA A 31 -0.602 -8.003 5.338 1.00 0.00 N ATOM 492 CA ALA A 31 -1.997 -8.299 5.615 1.00 0.00 C ATOM 493 C ALA A 31 -2.412 -7.607 6.915 1.00 0.00 C ATOM 494 O ALA A 31 -3.601 -7.414 7.167 1.00 0.00 O ATOM 495 CB ALA A 31 -2.195 -9.815 5.674 1.00 0.00 C ATOM 0 H ALA A 31 -0.013 -8.823 5.192 1.00 0.00 H new ATOM 0 HA ALA A 31 -2.636 -7.917 4.819 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.242 -10.037 5.882 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -1.913 -10.256 4.718 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -1.571 -10.233 6.464 1.00 0.00 H new ATOM 501 N PHE A 32 -1.410 -7.252 7.705 1.00 0.00 N ATOM 502 CA PHE A 32 -1.656 -6.585 8.973 1.00 0.00 C ATOM 503 C PHE A 32 -2.348 -5.237 8.757 1.00 0.00 C ATOM 504 O PHE A 32 -3.015 -4.727 9.656 1.00 0.00 O ATOM 505 CB PHE A 32 -0.293 -6.346 9.625 1.00 0.00 C ATOM 506 CG PHE A 32 -0.253 -6.671 11.120 1.00 0.00 C ATOM 507 CD1 PHE A 32 -1.202 -6.163 11.951 1.00 0.00 C ATOM 508 CD2 PHE A 32 0.731 -7.467 11.617 1.00 0.00 C ATOM 509 CE1 PHE A 32 -1.165 -6.464 13.338 1.00 0.00 C ATOM 510 CE2 PHE A 32 0.768 -7.769 13.004 1.00 0.00 C ATOM 511 CZ PHE A 32 -0.181 -7.261 13.835 1.00 0.00 C ATOM 0 H PHE A 32 -0.426 -7.413 7.492 1.00 0.00 H new ATOM 0 HA PHE A 32 -2.303 -7.200 9.598 1.00 0.00 H new ATOM 0 HB2 PHE A 32 0.455 -6.951 9.112 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -0.011 -5.303 9.483 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -1.984 -5.531 11.556 1.00 0.00 H new ATOM 0 HD2 PHE A 32 1.485 -7.870 10.957 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -1.918 -6.060 13.998 1.00 0.00 H new ATOM 0 HE2 PHE A 32 1.549 -8.402 13.399 1.00 0.00 H new ATOM 0 HZ PHE A 32 -0.153 -7.490 14.890 1.00 0.00 H new ATOM 521 N TRP A 33 -2.165 -4.698 7.561 1.00 0.00 N ATOM 522 CA TRP A 33 -2.763 -3.420 7.216 1.00 0.00 C ATOM 523 C TRP A 33 -3.383 -3.548 5.823 1.00 0.00 C ATOM 524 O TRP A 33 -4.540 -3.185 5.619 1.00 0.00 O ATOM 525 CB TRP A 33 -1.736 -2.290 7.312 1.00 0.00 C ATOM 526 CG TRP A 33 -0.473 -2.525 6.481 1.00 0.00 C ATOM 527 CD1 TRP A 33 0.600 -3.261 6.801 1.00 0.00 C ATOM 528 CD2 TRP A 33 -0.194 -1.990 5.170 1.00 0.00 C ATOM 529 NE1 TRP A 33 1.547 -3.238 5.797 1.00 0.00 N ATOM 530 CE2 TRP A 33 1.048 -2.441 4.774 1.00 0.00 C ATOM 531 CE3 TRP A 33 -0.967 -1.152 4.347 1.00 0.00 C ATOM 532 CZ2 TRP A 33 1.628 -2.107 3.544 1.00 0.00 C ATOM 533 CZ3 TRP A 33 -0.373 -0.827 3.121 1.00 0.00 C ATOM 534 CH2 TRP A 33 0.877 -1.273 2.707 1.00 0.00 C ATOM 0 H TRP A 33 -1.611 -5.124 6.818 1.00 0.00 H new ATOM 0 HA TRP A 33 -3.550 -3.159 7.924 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -2.203 -1.360 6.989 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -1.452 -2.158 8.356 1.00 0.00 H new ATOM 0 HD1 TRP A 33 0.710 -3.804 7.728 1.00 0.00 H new ATOM 0 HE1 TRP A 33 2.447 -3.718 5.805 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -1.941 -0.788 4.637 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 2.602 -2.473 3.256 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -0.925 -0.185 2.450 1.00 0.00 H new ATOM 0 HH2 TRP A 33 1.267 -0.977 1.744 1.00 0.00 H new ATOM 545 N PHE A 34 -2.585 -4.065 4.901 1.00 0.00 N ATOM 546 CA PHE A 34 -3.040 -4.246 3.533 1.00 0.00 C ATOM 547 C PHE A 34 -4.135 -5.311 3.456 1.00 0.00 C ATOM 548 O PHE A 34 -5.320 -4.997 3.554 1.00 0.00 O ATOM 549 CB PHE A 34 -1.833 -4.712 2.717 1.00 0.00 C ATOM 550 CG PHE A 34 -2.190 -5.260 1.334 1.00 0.00 C ATOM 551 CD1 PHE A 34 -3.152 -4.651 0.589 1.00 0.00 C ATOM 552 CD2 PHE A 34 -1.546 -6.355 0.849 1.00 0.00 C ATOM 553 CE1 PHE A 34 -3.483 -5.159 -0.695 1.00 0.00 C ATOM 554 CE2 PHE A 34 -1.878 -6.864 -0.434 1.00 0.00 C ATOM 555 CZ PHE A 34 -2.840 -6.255 -1.179 1.00 0.00 C ATOM 0 H PHE A 34 -1.626 -4.365 5.074 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.452 -3.312 3.152 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -1.143 -3.876 2.598 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -1.305 -5.484 3.277 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.664 -3.781 0.974 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -0.782 -6.838 1.440 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -4.245 -4.675 -1.287 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -1.367 -7.734 -0.819 1.00 0.00 H new ATOM 0 HZ PHE A 34 -3.093 -6.642 -2.155 1.00 0.00 H new ATOM 565 N MET A 35 -3.699 -6.550 3.280 1.00 0.00 N ATOM 566 CA MET A 35 -4.628 -7.664 3.189 1.00 0.00 C ATOM 567 C MET A 35 -3.880 -8.997 3.125 1.00 0.00 C ATOM 568 O MET A 35 -2.675 -9.026 2.881 1.00 0.00 O ATOM 569 CB MET A 35 -5.495 -7.505 1.938 1.00 0.00 C ATOM 570 CG MET A 35 -6.825 -6.830 2.276 1.00 0.00 C ATOM 571 SD MET A 35 -7.021 -5.346 1.303 1.00 0.00 S ATOM 572 CE MET A 35 -6.966 -6.043 -0.340 1.00 0.00 C ATOM 0 H MET A 35 -2.715 -6.807 3.198 1.00 0.00 H new ATOM 0 HA MET A 35 -5.256 -7.663 4.080 1.00 0.00 H new ATOM 0 HB2 MET A 35 -4.961 -6.913 1.194 1.00 0.00 H new ATOM 0 HB3 MET A 35 -5.682 -8.483 1.494 1.00 0.00 H new ATOM 0 HG2 MET A 35 -7.650 -7.515 2.080 1.00 0.00 H new ATOM 0 HG3 MET A 35 -6.859 -6.586 3.338 1.00 0.00 H new ATOM 0 HE1 MET A 35 -6.072 -5.691 -0.855 1.00 0.00 H new ATOM 0 HE2 MET A 35 -6.942 -7.131 -0.273 1.00 0.00 H new ATOM 0 HE3 MET A 35 -7.850 -5.733 -0.897 1.00 0.00 H new ATOM 582 N GLU A 36 -4.626 -10.069 3.350 1.00 0.00 N ATOM 583 CA GLU A 36 -4.048 -11.402 3.321 1.00 0.00 C ATOM 584 C GLU A 36 -3.317 -11.636 1.998 1.00 0.00 C ATOM 585 O GLU A 36 -3.843 -11.324 0.931 1.00 0.00 O ATOM 586 CB GLU A 36 -5.120 -12.469 3.551 1.00 0.00 C ATOM 587 CG GLU A 36 -5.584 -12.476 5.009 1.00 0.00 C ATOM 588 CD GLU A 36 -5.590 -13.898 5.575 1.00 0.00 C ATOM 589 OE1 GLU A 36 -6.438 -14.690 5.110 1.00 0.00 O ATOM 590 OE2 GLU A 36 -4.748 -14.159 6.461 1.00 0.00 O ATOM 0 H GLU A 36 -5.625 -10.042 3.553 1.00 0.00 H new ATOM 0 HA GLU A 36 -3.324 -11.480 4.132 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -5.971 -12.282 2.896 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -4.724 -13.450 3.287 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.926 -11.845 5.607 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.584 -12.049 5.078 1.00 0.00 H new ATOM 597 N ASN A 37 -2.115 -12.181 2.111 1.00 0.00 N ATOM 598 CA ASN A 37 -1.306 -12.460 0.937 1.00 0.00 C ATOM 599 C ASN A 37 -0.260 -13.522 1.284 1.00 0.00 C ATOM 600 O ASN A 37 -0.218 -14.012 2.411 1.00 0.00 O ATOM 601 CB ASN A 37 -0.567 -11.205 0.467 1.00 0.00 C ATOM 602 CG ASN A 37 0.358 -10.671 1.561 1.00 0.00 C ATOM 603 OD1 ASN A 37 1.572 -10.778 1.491 1.00 0.00 O ATOM 604 ND2 ASN A 37 -0.280 -10.091 2.574 1.00 0.00 N ATOM 0 H ASN A 37 -1.682 -12.437 2.998 1.00 0.00 H new ATOM 0 HA ASN A 37 -1.970 -12.806 0.145 1.00 0.00 H new ATOM 0 HB2 ASN A 37 0.015 -11.434 -0.426 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -1.288 -10.437 0.189 1.00 0.00 H new ATOM 0 HD21 ASN A 37 0.249 -9.702 3.355 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -1.298 -10.035 2.570 1.00 0.00 H new ATOM 611 N ASP A 38 0.559 -13.845 0.294 1.00 0.00 N ATOM 612 CA ASP A 38 1.602 -14.840 0.480 1.00 0.00 C ATOM 613 C ASP A 38 2.938 -14.267 0.002 1.00 0.00 C ATOM 614 O ASP A 38 3.811 -15.009 -0.445 1.00 0.00 O ATOM 615 CB ASP A 38 1.311 -16.103 -0.333 1.00 0.00 C ATOM 616 CG ASP A 38 1.780 -17.409 0.310 1.00 0.00 C ATOM 617 OD1 ASP A 38 3.008 -17.533 0.512 1.00 0.00 O ATOM 618 OD2 ASP A 38 0.902 -18.254 0.586 1.00 0.00 O ATOM 0 H ASP A 38 0.522 -13.435 -0.639 1.00 0.00 H new ATOM 0 HA ASP A 38 1.640 -15.095 1.539 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.237 -16.166 -0.506 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.786 -16.006 -1.309 1.00 0.00 H new ATOM 623 N LEU A 39 3.055 -12.952 0.113 1.00 0.00 N ATOM 624 CA LEU A 39 4.270 -12.272 -0.302 1.00 0.00 C ATOM 625 C LEU A 39 5.390 -12.584 0.692 1.00 0.00 C ATOM 626 O LEU A 39 5.128 -12.846 1.865 1.00 0.00 O ATOM 627 CB LEU A 39 4.010 -10.775 -0.485 1.00 0.00 C ATOM 628 CG LEU A 39 5.243 -9.907 -0.745 1.00 0.00 C ATOM 629 CD1 LEU A 39 4.988 -8.920 -1.886 1.00 0.00 C ATOM 630 CD2 LEU A 39 5.694 -9.200 0.534 1.00 0.00 C ATOM 0 H LEU A 39 2.329 -12.340 0.484 1.00 0.00 H new ATOM 0 HA LEU A 39 4.597 -12.637 -1.276 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.317 -10.646 -1.317 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.509 -10.402 0.408 1.00 0.00 H new ATOM 0 HG LEU A 39 6.059 -10.558 -1.059 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.880 -8.315 -2.050 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.750 -9.470 -2.796 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.152 -8.271 -1.625 1.00 0.00 H new ATOM 0 HD21 LEU A 39 6.572 -8.590 0.322 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.889 -8.563 0.901 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.943 -9.943 1.292 1.00 0.00 H new ATOM 642 N LYS A 40 6.614 -12.546 0.186 1.00 0.00 N ATOM 643 CA LYS A 40 7.775 -12.822 1.016 1.00 0.00 C ATOM 644 C LYS A 40 8.962 -11.998 0.514 1.00 0.00 C ATOM 645 O LYS A 40 10.101 -12.462 0.541 1.00 0.00 O ATOM 646 CB LYS A 40 8.050 -14.326 1.070 1.00 0.00 C ATOM 647 CG LYS A 40 8.006 -14.840 2.510 1.00 0.00 C ATOM 648 CD LYS A 40 8.214 -16.355 2.558 1.00 0.00 C ATOM 649 CE LYS A 40 9.698 -16.700 2.703 1.00 0.00 C ATOM 650 NZ LYS A 40 9.865 -18.125 3.064 1.00 0.00 N ATOM 0 H LYS A 40 6.827 -12.328 -0.787 1.00 0.00 H new ATOM 0 HA LYS A 40 7.588 -12.519 2.046 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.312 -14.856 0.468 1.00 0.00 H new ATOM 0 HB3 LYS A 40 9.027 -14.537 0.635 1.00 0.00 H new ATOM 0 HG2 LYS A 40 8.777 -14.345 3.100 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.047 -14.587 2.961 1.00 0.00 H new ATOM 0 HD2 LYS A 40 7.656 -16.776 3.394 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.818 -16.809 1.649 1.00 0.00 H new ATOM 0 HE2 LYS A 40 10.219 -16.492 1.768 1.00 0.00 H new ATOM 0 HE3 LYS A 40 10.151 -16.069 3.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 10.878 -18.343 3.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 9.385 -18.313 3.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.450 -18.722 2.320 1.00 0.00 H new ATOM 664 N ALA A 41 8.656 -10.788 0.067 1.00 0.00 N ATOM 665 CA ALA A 41 9.683 -9.895 -0.440 1.00 0.00 C ATOM 666 C ALA A 41 10.611 -10.672 -1.377 1.00 0.00 C ATOM 667 O ALA A 41 11.785 -10.870 -1.069 1.00 0.00 O ATOM 668 CB ALA A 41 10.435 -9.263 0.733 1.00 0.00 C ATOM 0 H ALA A 41 7.711 -10.406 0.046 1.00 0.00 H new ATOM 0 HA ALA A 41 9.237 -9.084 -1.016 1.00 0.00 H new ATOM 0 HB1 ALA A 41 11.206 -8.593 0.352 1.00 0.00 H new ATOM 0 HB2 ALA A 41 9.737 -8.699 1.351 1.00 0.00 H new ATOM 0 HB3 ALA A 41 10.899 -10.046 1.332 1.00 0.00 H new ATOM 674 N GLU A 42 10.049 -11.090 -2.501 1.00 0.00 N ATOM 675 CA GLU A 42 10.811 -11.841 -3.484 1.00 0.00 C ATOM 676 C GLU A 42 10.274 -11.570 -4.891 1.00 0.00 C ATOM 677 O GLU A 42 9.086 -11.751 -5.151 1.00 0.00 O ATOM 678 CB GLU A 42 10.791 -13.337 -3.168 1.00 0.00 C ATOM 679 CG GLU A 42 12.200 -13.931 -3.235 1.00 0.00 C ATOM 680 CD GLU A 42 12.257 -15.289 -2.532 1.00 0.00 C ATOM 681 OE1 GLU A 42 11.734 -16.257 -3.126 1.00 0.00 O ATOM 682 OE2 GLU A 42 12.821 -15.328 -1.418 1.00 0.00 O ATOM 0 H GLU A 42 9.075 -10.923 -2.753 1.00 0.00 H new ATOM 0 HA GLU A 42 11.848 -11.509 -3.442 1.00 0.00 H new ATOM 0 HB2 GLU A 42 10.372 -13.497 -2.174 1.00 0.00 H new ATOM 0 HB3 GLU A 42 10.141 -13.853 -3.875 1.00 0.00 H new ATOM 0 HG2 GLU A 42 12.502 -14.044 -4.276 1.00 0.00 H new ATOM 0 HG3 GLU A 42 12.909 -13.247 -2.770 1.00 0.00 H new ATOM 689 N THR A 43 11.176 -11.142 -5.762 1.00 0.00 N ATOM 690 CA THR A 43 10.808 -10.845 -7.136 1.00 0.00 C ATOM 691 C THR A 43 10.480 -12.135 -7.891 1.00 0.00 C ATOM 692 O THR A 43 10.994 -13.201 -7.558 1.00 0.00 O ATOM 693 CB THR A 43 11.947 -10.044 -7.769 1.00 0.00 C ATOM 694 OG1 THR A 43 11.344 -9.412 -8.895 1.00 0.00 O ATOM 695 CG2 THR A 43 13.026 -10.942 -8.379 1.00 0.00 C ATOM 0 H THR A 43 12.161 -10.994 -5.543 1.00 0.00 H new ATOM 0 HA THR A 43 9.903 -10.240 -7.180 1.00 0.00 H new ATOM 0 HB THR A 43 12.397 -9.396 -7.016 1.00 0.00 H new ATOM 0 HG1 THR A 43 12.013 -8.870 -9.363 1.00 0.00 H new ATOM 0 HG21 THR A 43 13.811 -10.323 -8.815 1.00 0.00 H new ATOM 0 HG22 THR A 43 13.453 -11.576 -7.602 1.00 0.00 H new ATOM 0 HG23 THR A 43 12.584 -11.567 -9.155 1.00 0.00 H new ATOM 703 N GLY A 44 9.625 -11.995 -8.893 1.00 0.00 N ATOM 704 CA GLY A 44 9.222 -13.136 -9.698 1.00 0.00 C ATOM 705 C GLY A 44 8.467 -14.164 -8.853 1.00 0.00 C ATOM 706 O GLY A 44 8.303 -15.311 -9.265 1.00 0.00 O ATOM 0 H GLY A 44 9.200 -11.109 -9.166 1.00 0.00 H new ATOM 0 HA2 GLY A 44 8.589 -12.800 -10.520 1.00 0.00 H new ATOM 0 HA3 GLY A 44 10.102 -13.601 -10.142 1.00 0.00 H new ATOM 710 N HIS A 45 8.026 -13.715 -7.687 1.00 0.00 N ATOM 711 CA HIS A 45 7.293 -14.581 -6.780 1.00 0.00 C ATOM 712 C HIS A 45 5.828 -14.657 -7.216 1.00 0.00 C ATOM 713 O HIS A 45 5.344 -13.784 -7.935 1.00 0.00 O ATOM 714 CB HIS A 45 7.457 -14.117 -5.332 1.00 0.00 C ATOM 715 CG HIS A 45 6.832 -15.042 -4.315 1.00 0.00 C ATOM 716 ND1 HIS A 45 6.859 -16.420 -4.439 1.00 0.00 N ATOM 717 CD2 HIS A 45 6.165 -14.773 -3.157 1.00 0.00 C ATOM 718 CE1 HIS A 45 6.233 -16.946 -3.397 1.00 0.00 C ATOM 719 NE2 HIS A 45 5.803 -15.923 -2.604 1.00 0.00 N ATOM 0 H HIS A 45 8.162 -12.762 -7.350 1.00 0.00 H new ATOM 0 HA HIS A 45 7.703 -15.590 -6.825 1.00 0.00 H new ATOM 0 HB2 HIS A 45 8.520 -14.017 -5.112 1.00 0.00 H new ATOM 0 HB3 HIS A 45 7.015 -13.126 -5.227 1.00 0.00 H new ATOM 0 HD2 HIS A 45 5.965 -13.790 -2.757 1.00 0.00 H new ATOM 0 HE1 HIS A 45 6.088 -18.000 -3.208 1.00 0.00 H new ATOM 0 HE2 HIS A 45 5.288 -16.025 -1.730 1.00 0.00 H new ATOM 727 N HIS A 46 5.162 -15.709 -6.762 1.00 0.00 N ATOM 728 CA HIS A 46 3.762 -15.909 -7.095 1.00 0.00 C ATOM 729 C HIS A 46 2.950 -16.090 -5.812 1.00 0.00 C ATOM 730 O HIS A 46 3.002 -17.146 -5.183 1.00 0.00 O ATOM 731 CB HIS A 46 3.598 -17.077 -8.070 1.00 0.00 C ATOM 732 CG HIS A 46 4.446 -18.281 -7.734 1.00 0.00 C ATOM 733 ND1 HIS A 46 4.060 -19.234 -6.808 1.00 0.00 N ATOM 734 CD2 HIS A 46 5.661 -18.677 -8.211 1.00 0.00 C ATOM 735 CE1 HIS A 46 5.008 -20.157 -6.738 1.00 0.00 C ATOM 736 NE2 HIS A 46 6.000 -19.809 -7.608 1.00 0.00 N ATOM 0 H HIS A 46 5.566 -16.432 -6.166 1.00 0.00 H new ATOM 0 HA HIS A 46 3.376 -15.027 -7.606 1.00 0.00 H new ATOM 0 HB2 HIS A 46 2.550 -17.377 -8.089 1.00 0.00 H new ATOM 0 HB3 HIS A 46 3.850 -16.737 -9.074 1.00 0.00 H new ATOM 0 HD1 HIS A 46 3.193 -19.227 -6.271 1.00 0.00 H new ATOM 0 HD2 HIS A 46 6.248 -18.157 -8.954 1.00 0.00 H new ATOM 0 HE1 HIS A 46 4.997 -21.031 -6.104 1.00 0.00 H new ATOM 744 N PHE A 47 2.217 -15.043 -5.461 1.00 0.00 N ATOM 745 CA PHE A 47 1.394 -15.073 -4.264 1.00 0.00 C ATOM 746 C PHE A 47 -0.025 -14.585 -4.561 1.00 0.00 C ATOM 747 O PHE A 47 -0.210 -13.596 -5.269 1.00 0.00 O ATOM 748 CB PHE A 47 2.044 -14.127 -3.251 1.00 0.00 C ATOM 749 CG PHE A 47 2.080 -12.665 -3.700 1.00 0.00 C ATOM 750 CD1 PHE A 47 2.941 -12.275 -4.677 1.00 0.00 C ATOM 751 CD2 PHE A 47 1.251 -11.756 -3.120 1.00 0.00 C ATOM 752 CE1 PHE A 47 2.975 -10.918 -5.093 1.00 0.00 C ATOM 753 CE2 PHE A 47 1.285 -10.398 -3.536 1.00 0.00 C ATOM 754 CZ PHE A 47 2.146 -10.008 -4.514 1.00 0.00 C ATOM 0 H PHE A 47 2.176 -14.169 -5.985 1.00 0.00 H new ATOM 0 HA PHE A 47 1.327 -16.093 -3.885 1.00 0.00 H new ATOM 0 HB2 PHE A 47 1.502 -14.193 -2.308 1.00 0.00 H new ATOM 0 HB3 PHE A 47 3.063 -14.462 -3.058 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.599 -12.997 -5.137 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.567 -12.066 -2.344 1.00 0.00 H new ATOM 0 HE1 PHE A 47 3.659 -10.608 -5.869 1.00 0.00 H new ATOM 0 HE2 PHE A 47 0.627 -9.675 -3.076 1.00 0.00 H new ATOM 0 HZ PHE A 47 2.172 -8.976 -4.831 1.00 0.00 H new ATOM 764 N HIS A 48 -0.991 -15.302 -4.007 1.00 0.00 N ATOM 765 CA HIS A 48 -2.388 -14.955 -4.204 1.00 0.00 C ATOM 766 C HIS A 48 -2.821 -13.945 -3.139 1.00 0.00 C ATOM 767 O HIS A 48 -2.069 -13.656 -2.210 1.00 0.00 O ATOM 768 CB HIS A 48 -3.263 -16.210 -4.221 1.00 0.00 C ATOM 769 CG HIS A 48 -3.502 -16.774 -5.602 1.00 0.00 C ATOM 770 ND1 HIS A 48 -2.908 -17.942 -6.047 1.00 0.00 N ATOM 771 CD2 HIS A 48 -4.275 -16.318 -6.629 1.00 0.00 C ATOM 772 CE1 HIS A 48 -3.313 -18.169 -7.288 1.00 0.00 C ATOM 773 NE2 HIS A 48 -4.159 -17.161 -7.647 1.00 0.00 N ATOM 0 H HIS A 48 -0.834 -16.122 -3.421 1.00 0.00 H new ATOM 0 HA HIS A 48 -2.515 -14.481 -5.178 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -2.794 -16.976 -3.603 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -4.224 -15.976 -3.764 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -4.879 -15.423 -6.616 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -3.024 -19.006 -7.907 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -4.626 -17.070 -8.549 1.00 0.00 H new ATOM 781 N LEU A 49 -4.032 -13.436 -3.311 1.00 0.00 N ATOM 782 CA LEU A 49 -4.575 -12.464 -2.376 1.00 0.00 C ATOM 783 C LEU A 49 -6.037 -12.806 -2.083 1.00 0.00 C ATOM 784 O LEU A 49 -6.818 -13.046 -3.002 1.00 0.00 O ATOM 785 CB LEU A 49 -4.369 -11.042 -2.902 1.00 0.00 C ATOM 786 CG LEU A 49 -4.507 -9.920 -1.872 1.00 0.00 C ATOM 787 CD1 LEU A 49 -3.137 -9.476 -1.356 1.00 0.00 C ATOM 788 CD2 LEU A 49 -5.312 -8.749 -2.441 1.00 0.00 C ATOM 0 H LEU A 49 -4.653 -13.678 -4.083 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.041 -12.508 -1.427 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.375 -10.980 -3.346 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.087 -10.864 -3.702 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.062 -10.308 -1.018 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.265 -8.677 -0.625 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.634 -10.321 -0.886 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.535 -9.113 -2.189 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -5.395 -7.965 -1.688 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.806 -8.354 -3.322 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -6.308 -9.093 -2.718 1.00 0.00 H new ATOM 800 N GLN A 50 -6.363 -12.816 -0.799 1.00 0.00 N ATOM 801 CA GLN A 50 -7.718 -13.124 -0.374 1.00 0.00 C ATOM 802 C GLN A 50 -8.480 -11.837 -0.054 1.00 0.00 C ATOM 803 O GLN A 50 -8.692 -11.509 1.112 1.00 0.00 O ATOM 804 CB GLN A 50 -7.713 -14.071 0.829 1.00 0.00 C ATOM 805 CG GLN A 50 -7.264 -15.475 0.419 1.00 0.00 C ATOM 806 CD GLN A 50 -8.422 -16.471 0.515 1.00 0.00 C ATOM 807 OE1 GLN A 50 -8.600 -17.162 1.504 1.00 0.00 O ATOM 808 NE2 GLN A 50 -9.197 -16.505 -0.565 1.00 0.00 N ATOM 0 H GLN A 50 -5.713 -12.616 -0.039 1.00 0.00 H new ATOM 0 HA GLN A 50 -8.228 -13.631 -1.193 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -7.047 -13.683 1.599 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.711 -14.117 1.264 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -6.881 -15.455 -0.601 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -6.445 -15.801 1.061 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -8.992 -15.899 -1.359 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -9.997 -17.137 -0.599 1.00 0.00 H new ATOM 817 N SER A 51 -8.871 -11.141 -1.112 1.00 0.00 N ATOM 818 CA SER A 51 -9.605 -9.896 -0.959 1.00 0.00 C ATOM 819 C SER A 51 -11.087 -10.189 -0.716 1.00 0.00 C ATOM 820 O SER A 51 -11.556 -11.295 -0.981 1.00 0.00 O ATOM 821 CB SER A 51 -9.435 -9.002 -2.189 1.00 0.00 C ATOM 822 OG SER A 51 -8.965 -9.732 -3.319 1.00 0.00 O ATOM 0 H SER A 51 -8.693 -11.416 -2.078 1.00 0.00 H new ATOM 0 HA SER A 51 -9.201 -9.364 -0.098 1.00 0.00 H new ATOM 0 HB2 SER A 51 -10.389 -8.534 -2.431 1.00 0.00 H new ATOM 0 HB3 SER A 51 -8.735 -8.199 -1.959 1.00 0.00 H new ATOM 0 HG SER A 51 -9.576 -10.475 -3.506 1.00 0.00 H new ATOM 828 N PRO A 52 -11.801 -9.152 -0.203 1.00 0.00 N ATOM 829 CA PRO A 52 -13.220 -9.287 0.079 1.00 0.00 C ATOM 830 C PRO A 52 -14.040 -9.257 -1.213 1.00 0.00 C ATOM 831 O PRO A 52 -15.232 -9.560 -1.202 1.00 0.00 O ATOM 832 CB PRO A 52 -13.546 -8.136 1.016 1.00 0.00 C ATOM 833 CG PRO A 52 -12.414 -7.134 0.857 1.00 0.00 C ATOM 834 CD PRO A 52 -11.278 -7.828 0.123 1.00 0.00 C ATOM 0 HA PRO A 52 -13.468 -10.242 0.542 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -14.505 -7.685 0.761 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -13.620 -8.481 2.047 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -12.752 -6.261 0.299 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -12.079 -6.779 1.831 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -10.996 -7.281 -0.777 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -10.387 -7.897 0.747 1.00 0.00 H new ATOM 842 N PHE A 53 -13.369 -8.889 -2.294 1.00 0.00 N ATOM 843 CA PHE A 53 -14.021 -8.816 -3.591 1.00 0.00 C ATOM 844 C PHE A 53 -13.581 -9.972 -4.491 1.00 0.00 C ATOM 845 O PHE A 53 -13.600 -9.852 -5.715 1.00 0.00 O ATOM 846 CB PHE A 53 -13.594 -7.494 -4.232 1.00 0.00 C ATOM 847 CG PHE A 53 -14.634 -6.900 -5.184 1.00 0.00 C ATOM 848 CD1 PHE A 53 -15.715 -6.243 -4.685 1.00 0.00 C ATOM 849 CD2 PHE A 53 -14.477 -7.028 -6.529 1.00 0.00 C ATOM 850 CE1 PHE A 53 -16.681 -5.691 -5.568 1.00 0.00 C ATOM 851 CE2 PHE A 53 -15.442 -6.476 -7.412 1.00 0.00 C ATOM 852 CZ PHE A 53 -16.523 -5.820 -6.913 1.00 0.00 C ATOM 0 H PHE A 53 -12.380 -8.638 -2.299 1.00 0.00 H new ATOM 0 HA PHE A 53 -15.102 -8.878 -3.469 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -13.383 -6.771 -3.444 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -12.664 -7.651 -4.778 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -15.839 -6.141 -3.617 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -13.618 -7.550 -6.925 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -17.540 -5.170 -5.172 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -15.317 -6.577 -8.480 1.00 0.00 H new ATOM 0 HZ PHE A 53 -17.257 -5.401 -7.585 1.00 0.00 H new ATOM 862 N GLY A 54 -13.195 -11.065 -3.851 1.00 0.00 N ATOM 863 CA GLY A 54 -12.751 -12.242 -4.579 1.00 0.00 C ATOM 864 C GLY A 54 -11.223 -12.328 -4.603 1.00 0.00 C ATOM 865 O GLY A 54 -10.539 -11.312 -4.488 1.00 0.00 O ATOM 0 H GLY A 54 -13.180 -11.161 -2.836 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -13.162 -13.138 -4.114 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -13.133 -12.209 -5.599 1.00 0.00 H new ATOM 869 N PRO A 55 -10.720 -13.582 -4.757 1.00 0.00 N ATOM 870 CA PRO A 55 -9.287 -13.813 -4.798 1.00 0.00 C ATOM 871 C PRO A 55 -8.699 -13.375 -6.141 1.00 0.00 C ATOM 872 O PRO A 55 -9.326 -13.551 -7.184 1.00 0.00 O ATOM 873 CB PRO A 55 -9.121 -15.301 -4.534 1.00 0.00 C ATOM 874 CG PRO A 55 -10.476 -15.928 -4.816 1.00 0.00 C ATOM 875 CD PRO A 55 -11.501 -14.808 -4.896 1.00 0.00 C ATOM 0 HA PRO A 55 -8.745 -13.227 -4.056 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -8.352 -15.728 -5.177 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -8.813 -15.483 -3.504 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -10.450 -16.489 -5.750 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -10.742 -16.633 -4.028 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -12.039 -14.830 -5.844 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -12.246 -14.895 -4.105 1.00 0.00 H new ATOM 883 N SER A 56 -7.501 -12.813 -6.071 1.00 0.00 N ATOM 884 CA SER A 56 -6.821 -12.349 -7.268 1.00 0.00 C ATOM 885 C SER A 56 -5.329 -12.679 -7.184 1.00 0.00 C ATOM 886 O SER A 56 -4.744 -12.655 -6.103 1.00 0.00 O ATOM 887 CB SER A 56 -7.021 -10.845 -7.467 1.00 0.00 C ATOM 888 OG SER A 56 -7.950 -10.563 -8.510 1.00 0.00 O ATOM 0 H SER A 56 -6.984 -12.669 -5.204 1.00 0.00 H new ATOM 0 HA SER A 56 -7.253 -12.863 -8.127 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.374 -10.400 -6.537 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.063 -10.380 -7.699 1.00 0.00 H new ATOM 0 HG SER A 56 -8.522 -9.813 -8.245 1.00 0.00 H new ATOM 894 N PRO A 57 -4.741 -12.987 -8.371 1.00 0.00 N ATOM 895 CA PRO A 57 -3.329 -13.322 -8.442 1.00 0.00 C ATOM 896 C PRO A 57 -2.461 -12.070 -8.298 1.00 0.00 C ATOM 897 O PRO A 57 -2.821 -11.001 -8.790 1.00 0.00 O ATOM 898 CB PRO A 57 -3.156 -14.014 -9.785 1.00 0.00 C ATOM 899 CG PRO A 57 -4.372 -13.629 -10.612 1.00 0.00 C ATOM 900 CD PRO A 57 -5.403 -13.026 -9.672 1.00 0.00 C ATOM 0 HA PRO A 57 -3.010 -13.974 -7.629 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -2.235 -13.695 -10.273 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -3.094 -15.095 -9.662 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -4.096 -12.913 -11.386 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -4.782 -14.503 -11.118 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -5.698 -12.028 -9.996 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -6.309 -13.631 -9.637 1.00 0.00 H new ATOM 908 N CYS A 58 -1.335 -12.244 -7.622 1.00 0.00 N ATOM 909 CA CYS A 58 -0.413 -11.142 -7.407 1.00 0.00 C ATOM 910 C CYS A 58 1.003 -11.635 -7.710 1.00 0.00 C ATOM 911 O CYS A 58 1.305 -12.814 -7.532 1.00 0.00 O ATOM 912 CB CYS A 58 -0.530 -10.575 -5.991 1.00 0.00 C ATOM 913 SG CYS A 58 -2.259 -10.079 -5.656 1.00 0.00 S ATOM 0 H CYS A 58 -1.040 -13.132 -7.216 1.00 0.00 H new ATOM 0 HA CYS A 58 -0.661 -10.320 -8.078 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -0.210 -11.321 -5.264 1.00 0.00 H new ATOM 0 HB3 CYS A 58 0.132 -9.716 -5.879 1.00 0.00 H new ATOM 0 HG CYS A 58 -3.045 -11.099 -5.835 1.00 0.00 H new ATOM 919 N GLN A 59 1.834 -10.707 -8.162 1.00 0.00 N ATOM 920 CA GLN A 59 3.212 -11.033 -8.490 1.00 0.00 C ATOM 921 C GLN A 59 4.123 -9.839 -8.199 1.00 0.00 C ATOM 922 O GLN A 59 3.727 -8.690 -8.389 1.00 0.00 O ATOM 923 CB GLN A 59 3.337 -11.475 -9.950 1.00 0.00 C ATOM 924 CG GLN A 59 4.798 -11.748 -10.316 1.00 0.00 C ATOM 925 CD GLN A 59 4.927 -13.040 -11.126 1.00 0.00 C ATOM 926 OE1 GLN A 59 5.402 -14.057 -10.649 1.00 0.00 O ATOM 927 NE2 GLN A 59 4.480 -12.942 -12.375 1.00 0.00 N ATOM 0 H GLN A 59 1.580 -9.730 -8.309 1.00 0.00 H new ATOM 0 HA GLN A 59 3.528 -11.867 -7.863 1.00 0.00 H new ATOM 0 HB2 GLN A 59 2.743 -12.374 -10.114 1.00 0.00 H new ATOM 0 HB3 GLN A 59 2.933 -10.702 -10.604 1.00 0.00 H new ATOM 0 HG2 GLN A 59 5.195 -10.912 -10.892 1.00 0.00 H new ATOM 0 HG3 GLN A 59 5.397 -11.822 -9.408 1.00 0.00 H new ATOM 0 HE21 GLN A 59 4.094 -12.060 -12.711 1.00 0.00 H new ATOM 0 HE22 GLN A 59 4.523 -13.749 -12.997 1.00 0.00 H new ATOM 936 N VAL A 60 5.327 -10.151 -7.742 1.00 0.00 N ATOM 937 CA VAL A 60 6.298 -9.119 -7.423 1.00 0.00 C ATOM 938 C VAL A 60 7.125 -8.800 -8.670 1.00 0.00 C ATOM 939 O VAL A 60 7.518 -9.703 -9.406 1.00 0.00 O ATOM 940 CB VAL A 60 7.154 -9.556 -6.233 1.00 0.00 C ATOM 941 CG1 VAL A 60 8.114 -8.442 -5.810 1.00 0.00 C ATOM 942 CG2 VAL A 60 6.277 -9.999 -5.060 1.00 0.00 C ATOM 0 H VAL A 60 5.652 -11.105 -7.585 1.00 0.00 H new ATOM 0 HA VAL A 60 5.794 -8.200 -7.123 1.00 0.00 H new ATOM 0 HB VAL A 60 7.751 -10.412 -6.546 1.00 0.00 H new ATOM 0 HG11 VAL A 60 8.711 -8.778 -4.962 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.773 -8.194 -6.642 1.00 0.00 H new ATOM 0 HG13 VAL A 60 7.543 -7.559 -5.524 1.00 0.00 H new ATOM 0 HG21 VAL A 60 6.910 -10.305 -4.227 1.00 0.00 H new ATOM 0 HG22 VAL A 60 5.642 -9.170 -4.748 1.00 0.00 H new ATOM 0 HG23 VAL A 60 5.653 -10.838 -5.368 1.00 0.00 H new ATOM 952 N THR A 61 7.365 -7.512 -8.868 1.00 0.00 N ATOM 953 CA THR A 61 8.139 -7.062 -10.013 1.00 0.00 C ATOM 954 C THR A 61 9.511 -6.557 -9.564 1.00 0.00 C ATOM 955 O THR A 61 10.473 -6.598 -10.329 1.00 0.00 O ATOM 956 CB THR A 61 7.316 -6.007 -10.755 1.00 0.00 C ATOM 957 OG1 THR A 61 7.325 -4.882 -9.881 1.00 0.00 O ATOM 958 CG2 THR A 61 5.837 -6.386 -10.860 1.00 0.00 C ATOM 0 H THR A 61 7.037 -6.766 -8.255 1.00 0.00 H new ATOM 0 HA THR A 61 8.339 -7.882 -10.702 1.00 0.00 H new ATOM 0 HB THR A 61 7.726 -5.864 -11.755 1.00 0.00 H new ATOM 0 HG1 THR A 61 6.815 -4.150 -10.285 1.00 0.00 H new ATOM 0 HG21 THR A 61 5.298 -5.604 -11.395 1.00 0.00 H new ATOM 0 HG22 THR A 61 5.740 -7.328 -11.400 1.00 0.00 H new ATOM 0 HG23 THR A 61 5.418 -6.496 -9.860 1.00 0.00 H new ATOM 966 N ASP A 62 9.558 -6.091 -8.324 1.00 0.00 N ATOM 967 CA ASP A 62 10.797 -5.578 -7.764 1.00 0.00 C ATOM 968 C ASP A 62 10.687 -5.547 -6.238 1.00 0.00 C ATOM 969 O ASP A 62 9.705 -5.047 -5.693 1.00 0.00 O ATOM 970 CB ASP A 62 11.071 -4.152 -8.247 1.00 0.00 C ATOM 971 CG ASP A 62 12.255 -4.011 -9.206 1.00 0.00 C ATOM 972 OD1 ASP A 62 12.208 -4.672 -10.266 1.00 0.00 O ATOM 973 OD2 ASP A 62 13.179 -3.245 -8.858 1.00 0.00 O ATOM 0 H ASP A 62 8.758 -6.058 -7.692 1.00 0.00 H new ATOM 0 HA ASP A 62 11.609 -6.230 -8.087 1.00 0.00 H new ATOM 0 HB2 ASP A 62 10.176 -3.773 -8.740 1.00 0.00 H new ATOM 0 HB3 ASP A 62 11.249 -3.518 -7.378 1.00 0.00 H new ATOM 978 N VAL A 63 11.710 -6.087 -5.592 1.00 0.00 N ATOM 979 CA VAL A 63 11.741 -6.128 -4.140 1.00 0.00 C ATOM 980 C VAL A 63 13.175 -6.387 -3.672 1.00 0.00 C ATOM 981 O VAL A 63 13.679 -7.502 -3.796 1.00 0.00 O ATOM 982 CB VAL A 63 10.746 -7.169 -3.624 1.00 0.00 C ATOM 983 CG1 VAL A 63 10.948 -8.514 -4.324 1.00 0.00 C ATOM 984 CG2 VAL A 63 10.848 -7.320 -2.105 1.00 0.00 C ATOM 0 H VAL A 63 12.524 -6.500 -6.048 1.00 0.00 H new ATOM 0 HA VAL A 63 11.432 -5.169 -3.724 1.00 0.00 H new ATOM 0 HB VAL A 63 9.741 -6.817 -3.858 1.00 0.00 H new ATOM 0 HG11 VAL A 63 10.228 -9.236 -3.939 1.00 0.00 H new ATOM 0 HG12 VAL A 63 10.801 -8.391 -5.397 1.00 0.00 H new ATOM 0 HG13 VAL A 63 11.959 -8.874 -4.136 1.00 0.00 H new ATOM 0 HG21 VAL A 63 10.130 -8.066 -1.764 1.00 0.00 H new ATOM 0 HG22 VAL A 63 11.856 -7.638 -1.838 1.00 0.00 H new ATOM 0 HG23 VAL A 63 10.631 -6.364 -1.629 1.00 0.00 H new ATOM 994 N GLU A 64 13.790 -5.339 -3.144 1.00 0.00 N ATOM 995 CA GLU A 64 15.155 -5.440 -2.656 1.00 0.00 C ATOM 996 C GLU A 64 15.418 -4.375 -1.590 1.00 0.00 C ATOM 997 O GLU A 64 15.579 -3.198 -1.910 1.00 0.00 O ATOM 998 CB GLU A 64 16.157 -5.325 -3.806 1.00 0.00 C ATOM 999 CG GLU A 64 17.579 -5.621 -3.325 1.00 0.00 C ATOM 1000 CD GLU A 64 18.102 -6.925 -3.932 1.00 0.00 C ATOM 1001 OE1 GLU A 64 18.027 -7.044 -5.174 1.00 0.00 O ATOM 1002 OE2 GLU A 64 18.566 -7.773 -3.139 1.00 0.00 O ATOM 0 H GLU A 64 13.368 -4.416 -3.043 1.00 0.00 H new ATOM 0 HA GLU A 64 15.286 -6.421 -2.200 1.00 0.00 H new ATOM 0 HB2 GLU A 64 15.886 -6.020 -4.600 1.00 0.00 H new ATOM 0 HB3 GLU A 64 16.114 -4.322 -4.232 1.00 0.00 H new ATOM 0 HG2 GLU A 64 18.238 -4.798 -3.599 1.00 0.00 H new ATOM 0 HG3 GLU A 64 17.592 -5.691 -2.237 1.00 0.00 H new ATOM 1009 N ARG A 65 15.454 -4.825 -0.345 1.00 0.00 N ATOM 1010 CA ARG A 65 15.694 -3.925 0.770 1.00 0.00 C ATOM 1011 C ARG A 65 14.641 -2.816 0.794 1.00 0.00 C ATOM 1012 O ARG A 65 13.897 -2.640 -0.170 1.00 0.00 O ATOM 1013 CB ARG A 65 17.086 -3.295 0.679 1.00 0.00 C ATOM 1014 CG ARG A 65 18.070 -4.002 1.614 1.00 0.00 C ATOM 1015 CD ARG A 65 18.980 -2.993 2.316 1.00 0.00 C ATOM 1016 NE ARG A 65 20.327 -3.013 1.704 1.00 0.00 N ATOM 1017 CZ ARG A 65 21.313 -2.166 2.028 1.00 0.00 C ATOM 1018 NH1 ARG A 65 21.108 -1.225 2.961 1.00 0.00 N ATOM 1019 NH2 ARG A 65 22.503 -2.258 1.420 1.00 0.00 N ATOM 0 H ARG A 65 15.321 -5.802 -0.083 1.00 0.00 H new ATOM 0 HA ARG A 65 15.631 -4.510 1.688 1.00 0.00 H new ATOM 0 HB2 ARG A 65 17.449 -3.352 -0.347 1.00 0.00 H new ATOM 0 HB3 ARG A 65 17.028 -2.238 0.938 1.00 0.00 H new ATOM 0 HG2 ARG A 65 17.520 -4.580 2.357 1.00 0.00 H new ATOM 0 HG3 ARG A 65 18.675 -4.708 1.045 1.00 0.00 H new ATOM 0 HD2 ARG A 65 18.553 -1.993 2.242 1.00 0.00 H new ATOM 0 HD3 ARG A 65 19.050 -3.232 3.377 1.00 0.00 H new ATOM 0 HE ARG A 65 20.517 -3.716 0.990 1.00 0.00 H new ATOM 0 HH11 ARG A 65 20.202 -1.154 3.424 1.00 0.00 H new ATOM 0 HH12 ARG A 65 21.858 -0.580 3.208 1.00 0.00 H new ATOM 0 HH21 ARG A 65 22.659 -2.973 0.710 1.00 0.00 H new ATOM 0 HH22 ARG A 65 23.253 -1.613 1.667 1.00 0.00 H new ATOM 1033 N PRO A 66 14.610 -2.077 1.935 1.00 0.00 N ATOM 1034 CA PRO A 66 13.659 -0.990 2.098 1.00 0.00 C ATOM 1035 C PRO A 66 14.079 0.232 1.277 1.00 0.00 C ATOM 1036 O PRO A 66 14.481 1.251 1.836 1.00 0.00 O ATOM 1037 CB PRO A 66 13.624 -0.718 3.593 1.00 0.00 C ATOM 1038 CG PRO A 66 14.890 -1.339 4.159 1.00 0.00 C ATOM 1039 CD PRO A 66 15.475 -2.257 3.098 1.00 0.00 C ATOM 0 HA PRO A 66 12.664 -1.242 1.730 1.00 0.00 H new ATOM 0 HB2 PRO A 66 13.590 0.353 3.795 1.00 0.00 H new ATOM 0 HB3 PRO A 66 12.736 -1.156 4.049 1.00 0.00 H new ATOM 0 HG2 PRO A 66 15.607 -0.564 4.430 1.00 0.00 H new ATOM 0 HG3 PRO A 66 14.667 -1.899 5.067 1.00 0.00 H new ATOM 0 HD2 PRO A 66 16.507 -1.991 2.869 1.00 0.00 H new ATOM 0 HD3 PRO A 66 15.480 -3.295 3.431 1.00 0.00 H new ATOM 1047 N ILE A 67 13.970 0.089 -0.035 1.00 0.00 N ATOM 1048 CA ILE A 67 14.333 1.168 -0.938 1.00 0.00 C ATOM 1049 C ILE A 67 13.362 1.186 -2.121 1.00 0.00 C ATOM 1050 O ILE A 67 12.847 2.240 -2.490 1.00 0.00 O ATOM 1051 CB ILE A 67 15.802 1.051 -1.350 1.00 0.00 C ATOM 1052 CG1 ILE A 67 16.115 -0.353 -1.870 1.00 0.00 C ATOM 1053 CG2 ILE A 67 16.727 1.456 -0.201 1.00 0.00 C ATOM 1054 CD1 ILE A 67 15.753 -0.483 -3.351 1.00 0.00 C ATOM 0 H ILE A 67 13.635 -0.758 -0.495 1.00 0.00 H new ATOM 0 HA ILE A 67 14.243 2.131 -0.436 1.00 0.00 H new ATOM 0 HB ILE A 67 15.984 1.746 -2.170 1.00 0.00 H new ATOM 0 HG12 ILE A 67 17.174 -0.568 -1.731 1.00 0.00 H new ATOM 0 HG13 ILE A 67 15.561 -1.091 -1.290 1.00 0.00 H new ATOM 0 HG21 ILE A 67 17.765 1.364 -0.520 1.00 0.00 H new ATOM 0 HG22 ILE A 67 16.525 2.489 0.082 1.00 0.00 H new ATOM 0 HG23 ILE A 67 16.551 0.804 0.655 1.00 0.00 H new ATOM 0 HD11 ILE A 67 15.986 -1.491 -3.695 1.00 0.00 H new ATOM 0 HD12 ILE A 67 14.688 -0.291 -3.484 1.00 0.00 H new ATOM 0 HD13 ILE A 67 16.327 0.240 -3.931 1.00 0.00 H new ATOM 1066 N LYS A 68 13.143 0.006 -2.683 1.00 0.00 N ATOM 1067 CA LYS A 68 12.243 -0.127 -3.816 1.00 0.00 C ATOM 1068 C LYS A 68 11.417 -1.405 -3.659 1.00 0.00 C ATOM 1069 O LYS A 68 11.972 -2.494 -3.520 1.00 0.00 O ATOM 1070 CB LYS A 68 13.023 -0.058 -5.131 1.00 0.00 C ATOM 1071 CG LYS A 68 12.129 -0.418 -6.319 1.00 0.00 C ATOM 1072 CD LYS A 68 11.939 0.784 -7.246 1.00 0.00 C ATOM 1073 CE LYS A 68 11.575 0.332 -8.662 1.00 0.00 C ATOM 1074 NZ LYS A 68 10.331 0.995 -9.114 1.00 0.00 N ATOM 0 H LYS A 68 13.573 -0.866 -2.375 1.00 0.00 H new ATOM 0 HA LYS A 68 11.541 0.706 -3.844 1.00 0.00 H new ATOM 0 HB2 LYS A 68 13.427 0.945 -5.266 1.00 0.00 H new ATOM 0 HB3 LYS A 68 13.872 -0.740 -5.090 1.00 0.00 H new ATOM 0 HG2 LYS A 68 12.572 -1.244 -6.875 1.00 0.00 H new ATOM 0 HG3 LYS A 68 11.159 -0.761 -5.958 1.00 0.00 H new ATOM 0 HD2 LYS A 68 11.154 1.430 -6.853 1.00 0.00 H new ATOM 0 HD3 LYS A 68 12.854 1.375 -7.273 1.00 0.00 H new ATOM 0 HE2 LYS A 68 12.390 0.569 -9.346 1.00 0.00 H new ATOM 0 HE3 LYS A 68 11.446 -0.750 -8.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 10.098 0.677 -10.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 9.552 0.748 -8.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 10.467 2.026 -9.113 1.00 0.00 H new ATOM 1088 N LEU A 69 10.104 -1.230 -3.685 1.00 0.00 N ATOM 1089 CA LEU A 69 9.195 -2.355 -3.547 1.00 0.00 C ATOM 1090 C LEU A 69 7.971 -2.130 -4.436 1.00 0.00 C ATOM 1091 O LEU A 69 7.360 -1.063 -4.398 1.00 0.00 O ATOM 1092 CB LEU A 69 8.851 -2.588 -2.074 1.00 0.00 C ATOM 1093 CG LEU A 69 8.043 -3.850 -1.766 1.00 0.00 C ATOM 1094 CD1 LEU A 69 8.931 -5.094 -1.810 1.00 0.00 C ATOM 1095 CD2 LEU A 69 7.308 -3.717 -0.430 1.00 0.00 C ATOM 0 H LEU A 69 9.648 -0.325 -3.800 1.00 0.00 H new ATOM 0 HA LEU A 69 9.672 -3.274 -3.889 1.00 0.00 H new ATOM 0 HB2 LEU A 69 9.781 -2.628 -1.506 1.00 0.00 H new ATOM 0 HB3 LEU A 69 8.293 -1.725 -1.711 1.00 0.00 H new ATOM 0 HG LEU A 69 7.285 -3.968 -2.541 1.00 0.00 H new ATOM 0 HD11 LEU A 69 8.332 -5.977 -1.587 1.00 0.00 H new ATOM 0 HD12 LEU A 69 9.369 -5.194 -2.803 1.00 0.00 H new ATOM 0 HD13 LEU A 69 9.726 -5.000 -1.071 1.00 0.00 H new ATOM 0 HD21 LEU A 69 6.741 -4.627 -0.234 1.00 0.00 H new ATOM 0 HD22 LEU A 69 8.032 -3.562 0.370 1.00 0.00 H new ATOM 0 HD23 LEU A 69 6.627 -2.867 -0.473 1.00 0.00 H new ATOM 1107 N SER A 70 7.650 -3.151 -5.216 1.00 0.00 N ATOM 1108 CA SER A 70 6.510 -3.078 -6.114 1.00 0.00 C ATOM 1109 C SER A 70 5.851 -4.453 -6.237 1.00 0.00 C ATOM 1110 O SER A 70 6.526 -5.478 -6.152 1.00 0.00 O ATOM 1111 CB SER A 70 6.927 -2.564 -7.493 1.00 0.00 C ATOM 1112 OG SER A 70 5.827 -2.016 -8.214 1.00 0.00 O ATOM 0 H SER A 70 8.160 -4.034 -5.245 1.00 0.00 H new ATOM 0 HA SER A 70 5.791 -2.374 -5.696 1.00 0.00 H new ATOM 0 HB2 SER A 70 7.700 -1.804 -7.378 1.00 0.00 H new ATOM 0 HB3 SER A 70 7.366 -3.380 -8.067 1.00 0.00 H new ATOM 0 HG SER A 70 6.135 -1.697 -9.088 1.00 0.00 H new ATOM 1118 N PHE A 71 4.541 -4.431 -6.435 1.00 0.00 N ATOM 1119 CA PHE A 71 3.784 -5.664 -6.570 1.00 0.00 C ATOM 1120 C PHE A 71 2.476 -5.423 -7.327 1.00 0.00 C ATOM 1121 O PHE A 71 1.789 -4.432 -7.086 1.00 0.00 O ATOM 1122 CB PHE A 71 3.459 -6.147 -5.155 1.00 0.00 C ATOM 1123 CG PHE A 71 2.284 -5.416 -4.503 1.00 0.00 C ATOM 1124 CD1 PHE A 71 2.503 -4.282 -3.784 1.00 0.00 C ATOM 1125 CD2 PHE A 71 1.021 -5.900 -4.641 1.00 0.00 C ATOM 1126 CE1 PHE A 71 1.412 -3.604 -3.178 1.00 0.00 C ATOM 1127 CE2 PHE A 71 -0.070 -5.222 -4.035 1.00 0.00 C ATOM 1128 CZ PHE A 71 0.149 -4.088 -3.316 1.00 0.00 C ATOM 0 H PHE A 71 3.985 -3.579 -6.505 1.00 0.00 H new ATOM 0 HA PHE A 71 4.365 -6.399 -7.127 1.00 0.00 H new ATOM 0 HB2 PHE A 71 3.237 -7.214 -5.188 1.00 0.00 H new ATOM 0 HB3 PHE A 71 4.343 -6.025 -4.528 1.00 0.00 H new ATOM 0 HD1 PHE A 71 3.506 -3.897 -3.674 1.00 0.00 H new ATOM 0 HD2 PHE A 71 0.847 -6.800 -5.212 1.00 0.00 H new ATOM 0 HE1 PHE A 71 1.586 -2.704 -2.607 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -1.073 -5.607 -4.145 1.00 0.00 H new ATOM 0 HZ PHE A 71 -0.680 -3.572 -2.855 1.00 0.00 H new ATOM 1138 N THR A 72 2.171 -6.347 -8.226 1.00 0.00 N ATOM 1139 CA THR A 72 0.958 -6.248 -9.019 1.00 0.00 C ATOM 1140 C THR A 72 -0.213 -6.908 -8.288 1.00 0.00 C ATOM 1141 O THR A 72 -0.028 -7.890 -7.571 1.00 0.00 O ATOM 1142 CB THR A 72 1.240 -6.862 -10.393 1.00 0.00 C ATOM 1143 OG1 THR A 72 1.563 -8.220 -10.106 1.00 0.00 O ATOM 1144 CG2 THR A 72 2.511 -6.303 -11.034 1.00 0.00 C ATOM 0 H THR A 72 2.743 -7.168 -8.423 1.00 0.00 H new ATOM 0 HA THR A 72 0.665 -5.208 -9.165 1.00 0.00 H new ATOM 0 HB THR A 72 0.392 -6.681 -11.053 1.00 0.00 H new ATOM 0 HG1 THR A 72 1.759 -8.693 -10.942 1.00 0.00 H new ATOM 0 HG21 THR A 72 2.665 -6.772 -12.006 1.00 0.00 H new ATOM 0 HG22 THR A 72 2.410 -5.225 -11.162 1.00 0.00 H new ATOM 0 HG23 THR A 72 3.366 -6.513 -10.391 1.00 0.00 H new ATOM 1152 N TRP A 73 -1.392 -6.341 -8.494 1.00 0.00 N ATOM 1153 CA TRP A 73 -2.593 -6.861 -7.863 1.00 0.00 C ATOM 1154 C TRP A 73 -3.727 -6.809 -8.889 1.00 0.00 C ATOM 1155 O TRP A 73 -3.959 -5.774 -9.512 1.00 0.00 O ATOM 1156 CB TRP A 73 -2.914 -6.094 -6.579 1.00 0.00 C ATOM 1157 CG TRP A 73 -4.256 -6.471 -5.948 1.00 0.00 C ATOM 1158 CD1 TRP A 73 -4.913 -7.636 -6.039 1.00 0.00 C ATOM 1159 CD2 TRP A 73 -5.084 -5.628 -5.119 1.00 0.00 C ATOM 1160 NE1 TRP A 73 -6.098 -7.605 -5.333 1.00 0.00 N ATOM 1161 CE2 TRP A 73 -6.205 -6.345 -4.756 1.00 0.00 C ATOM 1162 CE3 TRP A 73 -4.891 -4.303 -4.690 1.00 0.00 C ATOM 1163 CZ2 TRP A 73 -7.221 -5.821 -3.947 1.00 0.00 C ATOM 1164 CZ3 TRP A 73 -5.915 -3.794 -3.883 1.00 0.00 C ATOM 1165 CH2 TRP A 73 -7.050 -4.503 -3.509 1.00 0.00 C ATOM 0 H TRP A 73 -1.542 -5.526 -9.089 1.00 0.00 H new ATOM 0 HA TRP A 73 -2.449 -7.897 -7.555 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -2.120 -6.272 -5.854 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -2.914 -5.026 -6.796 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -4.559 -8.491 -6.595 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -6.772 -8.366 -5.250 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -4.021 -3.724 -4.962 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -8.090 -6.403 -3.676 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -5.816 -2.779 -3.526 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -7.797 -4.039 -2.883 1.00 0.00 H new ATOM 1176 N ASP A 74 -4.403 -7.940 -9.034 1.00 0.00 N ATOM 1177 CA ASP A 74 -5.507 -8.036 -9.974 1.00 0.00 C ATOM 1178 C ASP A 74 -4.969 -7.910 -11.401 1.00 0.00 C ATOM 1179 O ASP A 74 -3.783 -7.652 -11.600 1.00 0.00 O ATOM 1180 CB ASP A 74 -6.521 -6.912 -9.751 1.00 0.00 C ATOM 1181 CG ASP A 74 -7.916 -7.375 -9.328 1.00 0.00 C ATOM 1182 OD1 ASP A 74 -8.574 -8.031 -10.164 1.00 0.00 O ATOM 1183 OD2 ASP A 74 -8.294 -7.061 -8.179 1.00 0.00 O ATOM 0 H ASP A 74 -4.207 -8.797 -8.516 1.00 0.00 H new ATOM 0 HA ASP A 74 -5.996 -8.998 -9.822 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -6.132 -6.238 -8.988 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -6.610 -6.335 -10.671 1.00 0.00 H new ATOM 1188 N THR A 75 -5.866 -8.099 -12.357 1.00 0.00 N ATOM 1189 CA THR A 75 -5.496 -8.011 -13.759 1.00 0.00 C ATOM 1190 C THR A 75 -6.442 -7.064 -14.501 1.00 0.00 C ATOM 1191 O THR A 75 -7.012 -7.429 -15.528 1.00 0.00 O ATOM 1192 CB THR A 75 -5.481 -9.428 -14.335 1.00 0.00 C ATOM 1193 OG1 THR A 75 -6.803 -9.909 -14.109 1.00 0.00 O ATOM 1194 CG2 THR A 75 -4.596 -10.379 -13.526 1.00 0.00 C ATOM 0 H THR A 75 -6.849 -8.313 -12.188 1.00 0.00 H new ATOM 0 HA THR A 75 -4.499 -7.586 -13.879 1.00 0.00 H new ATOM 0 HB THR A 75 -5.132 -9.396 -15.367 1.00 0.00 H new ATOM 0 HG1 THR A 75 -6.882 -10.823 -14.454 1.00 0.00 H new ATOM 0 HG21 THR A 75 -4.621 -11.371 -13.977 1.00 0.00 H new ATOM 0 HG22 THR A 75 -3.571 -10.007 -13.522 1.00 0.00 H new ATOM 0 HG23 THR A 75 -4.965 -10.437 -12.502 1.00 0.00 H new ATOM 1202 N ASP A 76 -6.578 -5.865 -13.952 1.00 0.00 N ATOM 1203 CA ASP A 76 -7.445 -4.864 -14.549 1.00 0.00 C ATOM 1204 C ASP A 76 -6.594 -3.702 -15.066 1.00 0.00 C ATOM 1205 O ASP A 76 -6.864 -3.156 -16.134 1.00 0.00 O ATOM 1206 CB ASP A 76 -8.432 -4.306 -13.522 1.00 0.00 C ATOM 1207 CG ASP A 76 -9.366 -3.214 -14.048 1.00 0.00 C ATOM 1208 OD1 ASP A 76 -8.829 -2.189 -14.522 1.00 0.00 O ATOM 1209 OD2 ASP A 76 -10.594 -3.429 -13.965 1.00 0.00 O ATOM 0 H ASP A 76 -6.102 -5.565 -13.101 1.00 0.00 H new ATOM 0 HA ASP A 76 -7.998 -5.338 -15.360 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -9.038 -5.127 -13.139 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -7.868 -3.906 -12.679 1.00 0.00 H new ATOM 1214 N GLY A 77 -5.582 -3.358 -14.283 1.00 0.00 N ATOM 1215 CA GLY A 77 -4.689 -2.271 -14.647 1.00 0.00 C ATOM 1216 C GLY A 77 -4.433 -1.348 -13.454 1.00 0.00 C ATOM 1217 O GLY A 77 -4.560 -0.130 -13.568 1.00 0.00 O ATOM 0 H GLY A 77 -5.361 -3.813 -13.397 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -3.744 -2.677 -15.006 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -5.122 -1.699 -15.467 1.00 0.00 H new ATOM 1221 N TRP A 78 -4.076 -1.964 -12.337 1.00 0.00 N ATOM 1222 CA TRP A 78 -3.801 -1.213 -11.124 1.00 0.00 C ATOM 1223 C TRP A 78 -2.519 -1.772 -10.502 1.00 0.00 C ATOM 1224 O TRP A 78 -2.437 -2.963 -10.205 1.00 0.00 O ATOM 1225 CB TRP A 78 -4.995 -1.256 -10.169 1.00 0.00 C ATOM 1226 CG TRP A 78 -6.046 -0.177 -10.439 1.00 0.00 C ATOM 1227 CD1 TRP A 78 -5.891 0.980 -11.096 1.00 0.00 C ATOM 1228 CD2 TRP A 78 -7.430 -0.202 -10.028 1.00 0.00 C ATOM 1229 NE1 TRP A 78 -7.068 1.699 -11.139 1.00 0.00 N ATOM 1230 CE2 TRP A 78 -8.033 0.957 -10.469 1.00 0.00 C ATOM 1231 CE3 TRP A 78 -8.147 -1.174 -9.308 1.00 0.00 C ATOM 1232 CZ2 TRP A 78 -9.382 1.255 -10.240 1.00 0.00 C ATOM 1233 CZ3 TRP A 78 -9.494 -0.861 -9.086 1.00 0.00 C ATOM 1234 CH2 TRP A 78 -10.116 0.302 -9.524 1.00 0.00 C ATOM 0 H TRP A 78 -3.971 -2.975 -12.246 1.00 0.00 H new ATOM 0 HA TRP A 78 -3.648 -0.158 -11.351 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -5.468 -2.235 -10.239 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -4.633 -1.149 -9.146 1.00 0.00 H new ATOM 0 HD1 TRP A 78 -4.961 1.309 -11.537 1.00 0.00 H new ATOM 0 HE1 TRP A 78 -7.205 2.608 -11.581 1.00 0.00 H new ATOM 0 HE3 TRP A 78 -7.695 -2.089 -8.954 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 -9.832 2.170 -10.596 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 -10.091 -1.573 -8.536 1.00 0.00 H new ATOM 0 HH2 TRP A 78 -11.162 0.470 -9.313 1.00 0.00 H new ATOM 1245 N SER A 79 -1.550 -0.886 -10.324 1.00 0.00 N ATOM 1246 CA SER A 79 -0.277 -1.276 -9.744 1.00 0.00 C ATOM 1247 C SER A 79 0.175 -0.230 -8.722 1.00 0.00 C ATOM 1248 O SER A 79 0.189 0.964 -9.016 1.00 0.00 O ATOM 1249 CB SER A 79 0.790 -1.456 -10.826 1.00 0.00 C ATOM 1250 OG SER A 79 0.234 -1.404 -12.137 1.00 0.00 O ATOM 0 H SER A 79 -1.621 0.101 -10.572 1.00 0.00 H new ATOM 0 HA SER A 79 -0.410 -2.233 -9.240 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.547 -0.678 -10.722 1.00 0.00 H new ATOM 0 HB3 SER A 79 1.294 -2.412 -10.683 1.00 0.00 H new ATOM 0 HG SER A 79 0.947 -1.521 -12.799 1.00 0.00 H new ATOM 1256 N VAL A 80 0.534 -0.718 -7.544 1.00 0.00 N ATOM 1257 CA VAL A 80 0.985 0.160 -6.477 1.00 0.00 C ATOM 1258 C VAL A 80 2.457 -0.128 -6.173 1.00 0.00 C ATOM 1259 O VAL A 80 2.878 -1.284 -6.167 1.00 0.00 O ATOM 1260 CB VAL A 80 0.080 0.004 -5.253 1.00 0.00 C ATOM 1261 CG1 VAL A 80 -0.039 -1.465 -4.843 1.00 0.00 C ATOM 1262 CG2 VAL A 80 0.582 0.860 -4.088 1.00 0.00 C ATOM 0 H VAL A 80 0.522 -1.709 -7.305 1.00 0.00 H new ATOM 0 HA VAL A 80 0.915 1.203 -6.785 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.915 0.357 -5.524 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -0.687 -1.548 -3.971 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.463 -2.039 -5.667 1.00 0.00 H new ATOM 0 HG13 VAL A 80 0.949 -1.856 -4.599 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.079 0.731 -3.231 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.592 0.551 -3.818 1.00 0.00 H new ATOM 0 HG23 VAL A 80 0.591 1.909 -4.385 1.00 0.00 H new ATOM 1272 N THR A 81 3.198 0.942 -5.929 1.00 0.00 N ATOM 1273 CA THR A 81 4.614 0.819 -5.625 1.00 0.00 C ATOM 1274 C THR A 81 4.930 1.480 -4.282 1.00 0.00 C ATOM 1275 O THR A 81 4.422 2.559 -3.982 1.00 0.00 O ATOM 1276 CB THR A 81 5.402 1.412 -6.795 1.00 0.00 C ATOM 1277 OG1 THR A 81 4.761 0.879 -7.951 1.00 0.00 O ATOM 1278 CG2 THR A 81 6.829 0.866 -6.876 1.00 0.00 C ATOM 0 H THR A 81 2.845 1.899 -5.935 1.00 0.00 H new ATOM 0 HA THR A 81 4.906 -0.225 -5.514 1.00 0.00 H new ATOM 0 HB THR A 81 5.433 2.497 -6.699 1.00 0.00 H new ATOM 0 HG1 THR A 81 5.046 -0.049 -8.084 1.00 0.00 H new ATOM 0 HG21 THR A 81 7.344 1.319 -7.723 1.00 0.00 H new ATOM 0 HG22 THR A 81 7.363 1.105 -5.956 1.00 0.00 H new ATOM 0 HG23 THR A 81 6.798 -0.216 -7.006 1.00 0.00 H new ATOM 1286 N PHE A 82 5.769 0.805 -3.510 1.00 0.00 N ATOM 1287 CA PHE A 82 6.160 1.313 -2.206 1.00 0.00 C ATOM 1288 C PHE A 82 7.625 1.754 -2.206 1.00 0.00 C ATOM 1289 O PHE A 82 8.464 1.134 -2.858 1.00 0.00 O ATOM 1290 CB PHE A 82 5.986 0.166 -1.209 1.00 0.00 C ATOM 1291 CG PHE A 82 4.539 -0.306 -1.050 1.00 0.00 C ATOM 1292 CD1 PHE A 82 3.521 0.595 -1.095 1.00 0.00 C ATOM 1293 CD2 PHE A 82 4.270 -1.626 -0.865 1.00 0.00 C ATOM 1294 CE1 PHE A 82 2.178 0.157 -0.948 1.00 0.00 C ATOM 1295 CE2 PHE A 82 2.928 -2.064 -0.718 1.00 0.00 C ATOM 1296 CZ PHE A 82 1.910 -1.163 -0.762 1.00 0.00 C ATOM 0 H PHE A 82 6.189 -0.090 -3.763 1.00 0.00 H new ATOM 0 HA PHE A 82 5.548 2.176 -1.945 1.00 0.00 H new ATOM 0 HB2 PHE A 82 6.599 -0.676 -1.529 1.00 0.00 H new ATOM 0 HB3 PHE A 82 6.363 0.483 -0.237 1.00 0.00 H new ATOM 0 HD1 PHE A 82 3.734 1.643 -1.243 1.00 0.00 H new ATOM 0 HD2 PHE A 82 5.078 -2.342 -0.830 1.00 0.00 H new ATOM 0 HE1 PHE A 82 1.370 0.872 -0.984 1.00 0.00 H new ATOM 0 HE2 PHE A 82 2.715 -3.113 -0.571 1.00 0.00 H new ATOM 0 HZ PHE A 82 0.889 -1.496 -0.649 1.00 0.00 H new ATOM 1306 N HIS A 83 7.888 2.822 -1.468 1.00 0.00 N ATOM 1307 CA HIS A 83 9.237 3.354 -1.375 1.00 0.00 C ATOM 1308 C HIS A 83 9.566 3.666 0.086 1.00 0.00 C ATOM 1309 O HIS A 83 8.912 4.502 0.708 1.00 0.00 O ATOM 1310 CB HIS A 83 9.409 4.565 -2.293 1.00 0.00 C ATOM 1311 CG HIS A 83 9.105 4.283 -3.745 1.00 0.00 C ATOM 1312 ND1 HIS A 83 9.912 3.488 -4.539 1.00 0.00 N ATOM 1313 CD2 HIS A 83 8.074 4.698 -4.537 1.00 0.00 C ATOM 1314 CE1 HIS A 83 9.382 3.434 -5.753 1.00 0.00 C ATOM 1315 NE2 HIS A 83 8.244 4.184 -5.749 1.00 0.00 N ATOM 0 H HIS A 83 7.190 3.334 -0.929 1.00 0.00 H new ATOM 0 HA HIS A 83 9.951 2.606 -1.720 1.00 0.00 H new ATOM 0 HB2 HIS A 83 8.758 5.367 -1.945 1.00 0.00 H new ATOM 0 HB3 HIS A 83 10.434 4.928 -2.211 1.00 0.00 H new ATOM 0 HD2 HIS A 83 7.259 5.336 -4.230 1.00 0.00 H new ATOM 0 HE1 HIS A 83 9.782 2.891 -6.597 1.00 0.00 H new ATOM 0 HE2 HIS A 83 7.624 4.327 -6.547 1.00 0.00 H new ATOM 1323 N LEU A 84 10.579 2.978 0.592 1.00 0.00 N ATOM 1324 CA LEU A 84 11.002 3.171 1.969 1.00 0.00 C ATOM 1325 C LEU A 84 12.366 3.864 1.986 1.00 0.00 C ATOM 1326 O LEU A 84 13.123 3.775 1.020 1.00 0.00 O ATOM 1327 CB LEU A 84 10.977 1.844 2.729 1.00 0.00 C ATOM 1328 CG LEU A 84 9.606 1.384 3.231 1.00 0.00 C ATOM 1329 CD1 LEU A 84 8.979 0.376 2.267 1.00 0.00 C ATOM 1330 CD2 LEU A 84 9.701 0.833 4.655 1.00 0.00 C ATOM 0 H LEU A 84 11.119 2.286 0.073 1.00 0.00 H new ATOM 0 HA LEU A 84 10.305 3.824 2.493 1.00 0.00 H new ATOM 0 HB2 LEU A 84 11.383 1.068 2.080 1.00 0.00 H new ATOM 0 HB3 LEU A 84 11.647 1.926 3.585 1.00 0.00 H new ATOM 0 HG LEU A 84 8.946 2.251 3.264 1.00 0.00 H new ATOM 0 HD11 LEU A 84 8.006 0.066 2.647 1.00 0.00 H new ATOM 0 HD12 LEU A 84 8.855 0.838 1.287 1.00 0.00 H new ATOM 0 HD13 LEU A 84 9.628 -0.495 2.178 1.00 0.00 H new ATOM 0 HD21 LEU A 84 8.714 0.513 4.988 1.00 0.00 H new ATOM 0 HD22 LEU A 84 10.383 -0.017 4.671 1.00 0.00 H new ATOM 0 HD23 LEU A 84 10.075 1.610 5.322 1.00 0.00 H new ATOM 1342 N LYS A 85 12.638 4.537 3.094 1.00 0.00 N ATOM 1343 CA LYS A 85 13.898 5.245 3.249 1.00 0.00 C ATOM 1344 C LYS A 85 14.011 5.768 4.682 1.00 0.00 C ATOM 1345 O LYS A 85 13.214 6.603 5.106 1.00 0.00 O ATOM 1346 CB LYS A 85 14.036 6.334 2.184 1.00 0.00 C ATOM 1347 CG LYS A 85 12.754 7.164 2.079 1.00 0.00 C ATOM 1348 CD LYS A 85 13.022 8.631 2.419 1.00 0.00 C ATOM 1349 CE LYS A 85 13.586 9.380 1.210 1.00 0.00 C ATOM 1350 NZ LYS A 85 12.488 9.897 0.362 1.00 0.00 N ATOM 0 H LYS A 85 12.008 4.607 3.893 1.00 0.00 H new ATOM 0 HA LYS A 85 14.737 4.568 3.089 1.00 0.00 H new ATOM 0 HB2 LYS A 85 14.875 6.984 2.430 1.00 0.00 H new ATOM 0 HB3 LYS A 85 14.258 5.878 1.219 1.00 0.00 H new ATOM 0 HG2 LYS A 85 12.349 7.089 1.070 1.00 0.00 H new ATOM 0 HG3 LYS A 85 12.000 6.762 2.755 1.00 0.00 H new ATOM 0 HD2 LYS A 85 12.098 9.107 2.747 1.00 0.00 H new ATOM 0 HD3 LYS A 85 13.725 8.693 3.250 1.00 0.00 H new ATOM 0 HE2 LYS A 85 14.213 10.206 1.546 1.00 0.00 H new ATOM 0 HE3 LYS A 85 14.222 8.714 0.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 12.888 10.403 -0.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 11.906 9.103 0.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 11.898 10.549 0.917 1.00 0.00 H new ATOM 1364 N GLU A 86 15.007 5.255 5.389 1.00 0.00 N ATOM 1365 CA GLU A 86 15.234 5.660 6.766 1.00 0.00 C ATOM 1366 C GLU A 86 15.673 7.125 6.822 1.00 0.00 C ATOM 1367 O GLU A 86 16.535 7.548 6.054 1.00 0.00 O ATOM 1368 CB GLU A 86 16.264 4.753 7.441 1.00 0.00 C ATOM 1369 CG GLU A 86 15.917 4.531 8.915 1.00 0.00 C ATOM 1370 CD GLU A 86 16.956 5.185 9.828 1.00 0.00 C ATOM 1371 OE1 GLU A 86 17.606 6.142 9.354 1.00 0.00 O ATOM 1372 OE2 GLU A 86 17.078 4.713 10.979 1.00 0.00 O ATOM 0 H GLU A 86 15.666 4.562 5.034 1.00 0.00 H new ATOM 0 HA GLU A 86 14.297 5.560 7.313 1.00 0.00 H new ATOM 0 HB2 GLU A 86 16.303 3.794 6.925 1.00 0.00 H new ATOM 0 HB3 GLU A 86 17.255 5.199 7.360 1.00 0.00 H new ATOM 0 HG2 GLU A 86 14.931 4.944 9.126 1.00 0.00 H new ATOM 0 HG3 GLU A 86 15.866 3.462 9.123 1.00 0.00 H new ATOM 1379 N GLU A 87 15.060 7.858 7.740 1.00 0.00 N ATOM 1380 CA GLU A 87 15.377 9.266 7.907 1.00 0.00 C ATOM 1381 C GLU A 87 16.157 9.484 9.205 1.00 0.00 C ATOM 1382 O GLU A 87 16.623 8.527 9.822 1.00 0.00 O ATOM 1383 CB GLU A 87 14.108 10.120 7.880 1.00 0.00 C ATOM 1384 CG GLU A 87 14.120 11.083 6.691 1.00 0.00 C ATOM 1385 CD GLU A 87 13.880 12.523 7.149 1.00 0.00 C ATOM 1386 OE1 GLU A 87 12.693 12.911 7.200 1.00 0.00 O ATOM 1387 OE2 GLU A 87 14.888 13.202 7.437 1.00 0.00 O ATOM 0 H GLU A 87 14.346 7.503 8.376 1.00 0.00 H new ATOM 0 HA GLU A 87 16.004 9.579 7.072 1.00 0.00 H new ATOM 0 HB2 GLU A 87 13.232 9.474 7.821 1.00 0.00 H new ATOM 0 HB3 GLU A 87 14.025 10.684 8.809 1.00 0.00 H new ATOM 0 HG2 GLU A 87 15.078 11.017 6.175 1.00 0.00 H new ATOM 0 HG3 GLU A 87 13.351 10.792 5.975 1.00 0.00 H new ATOM 1394 N GLU A 88 16.276 10.749 9.581 1.00 0.00 N ATOM 1395 CA GLU A 88 16.992 11.105 10.794 1.00 0.00 C ATOM 1396 C GLU A 88 16.696 10.092 11.902 1.00 0.00 C ATOM 1397 O GLU A 88 17.469 9.159 12.118 1.00 0.00 O ATOM 1398 CB GLU A 88 16.640 12.525 11.242 1.00 0.00 C ATOM 1399 CG GLU A 88 17.669 13.533 10.726 1.00 0.00 C ATOM 1400 CD GLU A 88 17.447 14.912 11.351 1.00 0.00 C ATOM 1401 OE1 GLU A 88 17.031 14.940 12.530 1.00 0.00 O ATOM 1402 OE2 GLU A 88 17.699 15.907 10.637 1.00 0.00 O ATOM 0 H GLU A 88 15.888 11.540 9.067 1.00 0.00 H new ATOM 0 HA GLU A 88 18.061 11.080 10.582 1.00 0.00 H new ATOM 0 HB2 GLU A 88 15.649 12.791 10.875 1.00 0.00 H new ATOM 0 HB3 GLU A 88 16.598 12.567 12.330 1.00 0.00 H new ATOM 0 HG2 GLU A 88 18.675 13.182 10.958 1.00 0.00 H new ATOM 0 HG3 GLU A 88 17.599 13.606 9.641 1.00 0.00 H new ATOM 1409 N ASN A 89 15.576 10.309 12.575 1.00 0.00 N ATOM 1410 CA ASN A 89 15.168 9.427 13.655 1.00 0.00 C ATOM 1411 C ASN A 89 13.774 8.874 13.357 1.00 0.00 C ATOM 1412 O ASN A 89 12.856 9.029 14.161 1.00 0.00 O ATOM 1413 CB ASN A 89 15.105 10.179 14.986 1.00 0.00 C ATOM 1414 CG ASN A 89 16.470 10.190 15.675 1.00 0.00 C ATOM 1415 OD1 ASN A 89 17.265 9.273 15.551 1.00 0.00 O ATOM 1416 ND2 ASN A 89 16.698 11.278 16.407 1.00 0.00 N ATOM 0 H ASN A 89 14.938 11.084 12.393 1.00 0.00 H new ATOM 0 HA ASN A 89 15.901 8.624 13.730 1.00 0.00 H new ATOM 0 HB2 ASN A 89 14.772 11.203 14.814 1.00 0.00 H new ATOM 0 HB3 ASN A 89 14.368 9.710 15.638 1.00 0.00 H new ATOM 0 HD21 ASN A 89 17.581 11.381 16.906 1.00 0.00 H new ATOM 0 HD22 ASN A 89 15.989 12.009 16.468 1.00 0.00 H new ATOM 1423 N GLY A 90 13.658 8.240 12.199 1.00 0.00 N ATOM 1424 CA GLY A 90 12.391 7.663 11.785 1.00 0.00 C ATOM 1425 C GLY A 90 12.496 7.054 10.385 1.00 0.00 C ATOM 1426 O GLY A 90 13.542 7.142 9.744 1.00 0.00 O ATOM 0 H GLY A 90 14.421 8.113 11.535 1.00 0.00 H new ATOM 0 HA2 GLY A 90 12.087 6.896 12.497 1.00 0.00 H new ATOM 0 HA3 GLY A 90 11.618 8.431 11.794 1.00 0.00 H new ATOM 1430 N THR A 91 11.399 6.451 9.953 1.00 0.00 N ATOM 1431 CA THR A 91 11.355 5.828 8.641 1.00 0.00 C ATOM 1432 C THR A 91 10.332 6.534 7.749 1.00 0.00 C ATOM 1433 O THR A 91 9.214 6.812 8.180 1.00 0.00 O ATOM 1434 CB THR A 91 11.067 4.338 8.834 1.00 0.00 C ATOM 1435 OG1 THR A 91 12.136 3.882 9.659 1.00 0.00 O ATOM 1436 CG2 THR A 91 11.227 3.537 7.540 1.00 0.00 C ATOM 0 H THR A 91 10.533 6.380 10.488 1.00 0.00 H new ATOM 0 HA THR A 91 12.310 5.925 8.125 1.00 0.00 H new ATOM 0 HB THR A 91 10.054 4.211 9.216 1.00 0.00 H new ATOM 0 HG1 THR A 91 11.828 3.817 10.587 1.00 0.00 H new ATOM 0 HG21 THR A 91 11.011 2.486 7.733 1.00 0.00 H new ATOM 0 HG22 THR A 91 10.535 3.917 6.789 1.00 0.00 H new ATOM 0 HG23 THR A 91 12.249 3.636 7.175 1.00 0.00 H new ATOM 1444 N ILE A 92 10.751 6.803 6.521 1.00 0.00 N ATOM 1445 CA ILE A 92 9.885 7.471 5.564 1.00 0.00 C ATOM 1446 C ILE A 92 9.152 6.421 4.727 1.00 0.00 C ATOM 1447 O ILE A 92 9.780 5.544 4.136 1.00 0.00 O ATOM 1448 CB ILE A 92 10.682 8.476 4.731 1.00 0.00 C ATOM 1449 CG1 ILE A 92 11.254 9.588 5.612 1.00 0.00 C ATOM 1450 CG2 ILE A 92 9.835 9.031 3.584 1.00 0.00 C ATOM 1451 CD1 ILE A 92 10.176 10.169 6.530 1.00 0.00 C ATOM 0 H ILE A 92 11.679 6.570 6.167 1.00 0.00 H new ATOM 0 HA ILE A 92 9.123 8.055 6.081 1.00 0.00 H new ATOM 0 HB ILE A 92 11.528 7.954 4.283 1.00 0.00 H new ATOM 0 HG12 ILE A 92 12.075 9.196 6.212 1.00 0.00 H new ATOM 0 HG13 ILE A 92 11.667 10.378 4.985 1.00 0.00 H new ATOM 0 HG21 ILE A 92 10.425 9.743 3.007 1.00 0.00 H new ATOM 0 HG22 ILE A 92 9.519 8.213 2.936 1.00 0.00 H new ATOM 0 HG23 ILE A 92 8.957 9.533 3.990 1.00 0.00 H new ATOM 0 HD11 ILE A 92 10.609 10.957 7.146 1.00 0.00 H new ATOM 0 HD12 ILE A 92 9.368 10.582 5.926 1.00 0.00 H new ATOM 0 HD13 ILE A 92 9.782 9.382 7.173 1.00 0.00 H new ATOM 1463 N PHE A 93 7.833 6.546 4.702 1.00 0.00 N ATOM 1464 CA PHE A 93 7.008 5.618 3.947 1.00 0.00 C ATOM 1465 C PHE A 93 6.229 6.346 2.849 1.00 0.00 C ATOM 1466 O PHE A 93 5.427 7.233 3.136 1.00 0.00 O ATOM 1467 CB PHE A 93 6.016 4.997 4.932 1.00 0.00 C ATOM 1468 CG PHE A 93 5.397 3.684 4.448 1.00 0.00 C ATOM 1469 CD1 PHE A 93 4.658 3.661 3.307 1.00 0.00 C ATOM 1470 CD2 PHE A 93 5.586 2.540 5.159 1.00 0.00 C ATOM 1471 CE1 PHE A 93 4.083 2.443 2.858 1.00 0.00 C ATOM 1472 CE2 PHE A 93 5.012 1.322 4.710 1.00 0.00 C ATOM 1473 CZ PHE A 93 4.273 1.299 3.569 1.00 0.00 C ATOM 0 H PHE A 93 7.315 7.276 5.192 1.00 0.00 H new ATOM 0 HA PHE A 93 7.636 4.864 3.472 1.00 0.00 H new ATOM 0 HB2 PHE A 93 6.524 4.819 5.880 1.00 0.00 H new ATOM 0 HB3 PHE A 93 5.218 5.713 5.127 1.00 0.00 H new ATOM 0 HD1 PHE A 93 4.508 4.569 2.742 1.00 0.00 H new ATOM 0 HD2 PHE A 93 6.173 2.558 6.065 1.00 0.00 H new ATOM 0 HE1 PHE A 93 3.495 2.425 1.952 1.00 0.00 H new ATOM 0 HE2 PHE A 93 5.162 0.414 5.275 1.00 0.00 H new ATOM 0 HZ PHE A 93 3.837 0.372 3.227 1.00 0.00 H new ATOM 1483 N THR A 94 6.494 5.944 1.615 1.00 0.00 N ATOM 1484 CA THR A 94 5.829 6.547 0.472 1.00 0.00 C ATOM 1485 C THR A 94 5.027 5.494 -0.295 1.00 0.00 C ATOM 1486 O THR A 94 5.485 4.367 -0.471 1.00 0.00 O ATOM 1487 CB THR A 94 6.891 7.243 -0.381 1.00 0.00 C ATOM 1488 OG1 THR A 94 7.478 8.194 0.503 1.00 0.00 O ATOM 1489 CG2 THR A 94 6.281 8.096 -1.495 1.00 0.00 C ATOM 0 H THR A 94 7.160 5.208 1.381 1.00 0.00 H new ATOM 0 HA THR A 94 5.103 7.297 0.787 1.00 0.00 H new ATOM 0 HB THR A 94 7.553 6.495 -0.818 1.00 0.00 H new ATOM 0 HG1 THR A 94 8.180 8.690 0.031 1.00 0.00 H new ATOM 0 HG21 THR A 94 7.078 8.568 -2.070 1.00 0.00 H new ATOM 0 HG22 THR A 94 5.685 7.463 -2.152 1.00 0.00 H new ATOM 0 HG23 THR A 94 5.645 8.866 -1.057 1.00 0.00 H new ATOM 1497 N ILE A 95 3.843 5.899 -0.731 1.00 0.00 N ATOM 1498 CA ILE A 95 2.973 5.005 -1.475 1.00 0.00 C ATOM 1499 C ILE A 95 2.595 5.658 -2.806 1.00 0.00 C ATOM 1500 O ILE A 95 2.338 6.860 -2.860 1.00 0.00 O ATOM 1501 CB ILE A 95 1.768 4.599 -0.624 1.00 0.00 C ATOM 1502 CG1 ILE A 95 0.631 4.071 -1.501 1.00 0.00 C ATOM 1503 CG2 ILE A 95 1.313 5.755 0.269 1.00 0.00 C ATOM 1504 CD1 ILE A 95 -0.208 5.220 -2.063 1.00 0.00 C ATOM 0 H ILE A 95 3.466 6.835 -0.583 1.00 0.00 H new ATOM 0 HA ILE A 95 3.493 4.077 -1.712 1.00 0.00 H new ATOM 0 HB ILE A 95 2.073 3.785 0.033 1.00 0.00 H new ATOM 0 HG12 ILE A 95 1.043 3.482 -2.321 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -0.004 3.404 -0.917 1.00 0.00 H new ATOM 0 HG21 ILE A 95 0.455 5.440 0.863 1.00 0.00 H new ATOM 0 HG22 ILE A 95 2.128 6.044 0.933 1.00 0.00 H new ATOM 0 HG23 ILE A 95 1.031 6.605 -0.352 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -1.009 4.817 -2.683 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -0.638 5.792 -1.241 1.00 0.00 H new ATOM 0 HD13 ILE A 95 0.425 5.871 -2.666 1.00 0.00 H new ATOM 1516 N VAL A 96 2.572 4.838 -3.846 1.00 0.00 N ATOM 1517 CA VAL A 96 2.230 5.321 -5.173 1.00 0.00 C ATOM 1518 C VAL A 96 1.231 4.359 -5.819 1.00 0.00 C ATOM 1519 O VAL A 96 1.407 3.143 -5.758 1.00 0.00 O ATOM 1520 CB VAL A 96 3.500 5.512 -6.004 1.00 0.00 C ATOM 1521 CG1 VAL A 96 3.169 6.068 -7.391 1.00 0.00 C ATOM 1522 CG2 VAL A 96 4.501 6.412 -5.277 1.00 0.00 C ATOM 0 H VAL A 96 2.785 3.842 -3.797 1.00 0.00 H new ATOM 0 HA VAL A 96 1.748 6.297 -5.112 1.00 0.00 H new ATOM 0 HB VAL A 96 3.964 4.535 -6.137 1.00 0.00 H new ATOM 0 HG11 VAL A 96 4.089 6.194 -7.961 1.00 0.00 H new ATOM 0 HG12 VAL A 96 2.511 5.374 -7.914 1.00 0.00 H new ATOM 0 HG13 VAL A 96 2.671 7.032 -7.287 1.00 0.00 H new ATOM 0 HG21 VAL A 96 5.395 6.531 -5.890 1.00 0.00 H new ATOM 0 HG22 VAL A 96 4.050 7.388 -5.099 1.00 0.00 H new ATOM 0 HG23 VAL A 96 4.772 5.959 -4.324 1.00 0.00 H new ATOM 1532 N HIS A 97 0.205 4.939 -6.424 1.00 0.00 N ATOM 1533 CA HIS A 97 -0.822 4.148 -7.081 1.00 0.00 C ATOM 1534 C HIS A 97 -1.170 4.779 -8.431 1.00 0.00 C ATOM 1535 O HIS A 97 -1.497 5.962 -8.501 1.00 0.00 O ATOM 1536 CB HIS A 97 -2.042 3.980 -6.173 1.00 0.00 C ATOM 1537 CG HIS A 97 -2.903 2.788 -6.516 1.00 0.00 C ATOM 1538 ND1 HIS A 97 -4.268 2.759 -6.289 1.00 0.00 N ATOM 1539 CD2 HIS A 97 -2.579 1.585 -7.073 1.00 0.00 C ATOM 1540 CE1 HIS A 97 -4.734 1.587 -6.694 1.00 0.00 C ATOM 1541 NE2 HIS A 97 -3.686 0.861 -7.178 1.00 0.00 N ATOM 0 H HIS A 97 0.063 5.948 -6.473 1.00 0.00 H new ATOM 0 HA HIS A 97 -0.445 3.144 -7.275 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -1.704 3.886 -5.141 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -2.650 4.883 -6.228 1.00 0.00 H new ATOM 0 HD1 HIS A 97 -4.821 3.512 -5.880 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -1.590 1.275 -7.377 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -5.763 1.263 -6.649 1.00 0.00 H new ATOM 1549 N SER A 98 -1.087 3.960 -9.469 1.00 0.00 N ATOM 1550 CA SER A 98 -1.389 4.422 -10.813 1.00 0.00 C ATOM 1551 C SER A 98 -2.171 3.348 -11.572 1.00 0.00 C ATOM 1552 O SER A 98 -2.356 2.240 -11.072 1.00 0.00 O ATOM 1553 CB SER A 98 -0.111 4.784 -11.571 1.00 0.00 C ATOM 1554 OG SER A 98 0.656 5.770 -10.885 1.00 0.00 O ATOM 0 H SER A 98 -0.815 2.979 -9.406 1.00 0.00 H new ATOM 0 HA SER A 98 -2.000 5.321 -10.736 1.00 0.00 H new ATOM 0 HB2 SER A 98 0.493 3.888 -11.711 1.00 0.00 H new ATOM 0 HB3 SER A 98 -0.370 5.152 -12.564 1.00 0.00 H new ATOM 0 HG SER A 98 0.076 6.266 -10.270 1.00 0.00 H new ATOM 1560 N GLY A 99 -2.608 3.715 -12.768 1.00 0.00 N ATOM 1561 CA GLY A 99 -3.365 2.796 -13.602 1.00 0.00 C ATOM 1562 C GLY A 99 -4.844 3.186 -13.643 1.00 0.00 C ATOM 1563 O GLY A 99 -5.716 2.319 -13.687 1.00 0.00 O ATOM 0 H GLY A 99 -2.453 4.635 -13.179 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -2.957 2.796 -14.613 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -3.263 1.781 -13.217 1.00 0.00 H new ATOM 1567 N TRP A 100 -5.081 4.489 -13.626 1.00 0.00 N ATOM 1568 CA TRP A 100 -6.439 5.003 -13.660 1.00 0.00 C ATOM 1569 C TRP A 100 -6.733 5.468 -15.088 1.00 0.00 C ATOM 1570 O TRP A 100 -5.886 5.345 -15.971 1.00 0.00 O ATOM 1571 CB TRP A 100 -6.633 6.109 -12.620 1.00 0.00 C ATOM 1572 CG TRP A 100 -6.307 5.681 -11.188 1.00 0.00 C ATOM 1573 CD1 TRP A 100 -5.099 5.538 -10.625 1.00 0.00 C ATOM 1574 CD2 TRP A 100 -7.255 5.343 -10.154 1.00 0.00 C ATOM 1575 NE1 TRP A 100 -5.200 5.135 -9.309 1.00 0.00 N ATOM 1576 CE2 TRP A 100 -6.552 5.013 -9.013 1.00 0.00 C ATOM 1577 CE3 TRP A 100 -8.661 5.317 -10.182 1.00 0.00 C ATOM 1578 CZ2 TRP A 100 -7.170 4.633 -7.816 1.00 0.00 C ATOM 1579 CZ3 TRP A 100 -9.263 4.936 -8.977 1.00 0.00 C ATOM 1580 CH2 TRP A 100 -8.569 4.600 -7.820 1.00 0.00 C ATOM 0 H TRP A 100 -4.355 5.205 -13.589 1.00 0.00 H new ATOM 0 HA TRP A 100 -7.153 4.224 -13.393 1.00 0.00 H new ATOM 0 HB2 TRP A 100 -6.004 6.958 -12.886 1.00 0.00 H new ATOM 0 HB3 TRP A 100 -7.667 6.453 -12.659 1.00 0.00 H new ATOM 0 HD1 TRP A 100 -4.165 5.716 -11.137 1.00 0.00 H new ATOM 0 HE1 TRP A 100 -4.424 4.959 -8.671 1.00 0.00 H new ATOM 0 HE3 TRP A 100 -9.231 5.571 -11.063 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 -6.598 4.379 -6.936 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 -10.342 4.901 -8.944 1.00 0.00 H new ATOM 0 HH2 TRP A 100 -9.107 4.315 -6.928 1.00 0.00 H new ATOM 1591 N LYS A 101 -7.937 5.991 -15.270 1.00 0.00 N ATOM 1592 CA LYS A 101 -8.353 6.474 -16.576 1.00 0.00 C ATOM 1593 C LYS A 101 -8.660 7.970 -16.487 1.00 0.00 C ATOM 1594 O LYS A 101 -7.975 8.707 -15.780 1.00 0.00 O ATOM 1595 CB LYS A 101 -9.517 5.638 -17.110 1.00 0.00 C ATOM 1596 CG LYS A 101 -9.361 4.167 -16.719 1.00 0.00 C ATOM 1597 CD LYS A 101 -10.532 3.333 -17.243 1.00 0.00 C ATOM 1598 CE LYS A 101 -10.123 1.870 -17.431 1.00 0.00 C ATOM 1599 NZ LYS A 101 -10.747 1.310 -18.650 1.00 0.00 N ATOM 0 H LYS A 101 -8.637 6.091 -14.535 1.00 0.00 H new ATOM 0 HA LYS A 101 -7.547 6.356 -17.301 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -10.457 6.025 -16.717 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -9.565 5.726 -18.195 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -8.425 3.778 -17.119 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -9.304 4.079 -15.634 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -11.367 3.394 -16.545 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -10.879 3.742 -18.192 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -9.038 1.796 -17.504 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -10.424 1.287 -16.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -10.459 0.317 -18.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -11.782 1.363 -18.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -10.439 1.856 -19.480 1.00 0.00 H new ATOM 1613 N GLN A 102 -9.690 8.374 -17.215 1.00 0.00 N ATOM 1614 CA GLN A 102 -10.097 9.769 -17.228 1.00 0.00 C ATOM 1615 C GLN A 102 -11.116 10.035 -16.118 1.00 0.00 C ATOM 1616 O GLN A 102 -11.810 9.121 -15.675 1.00 0.00 O ATOM 1617 CB GLN A 102 -10.659 10.164 -18.595 1.00 0.00 C ATOM 1618 CG GLN A 102 -10.570 11.677 -18.808 1.00 0.00 C ATOM 1619 CD GLN A 102 -10.762 12.035 -20.283 1.00 0.00 C ATOM 1620 OE1 GLN A 102 -9.822 12.323 -21.006 1.00 0.00 O ATOM 1621 NE2 GLN A 102 -12.028 12.002 -20.687 1.00 0.00 N ATOM 0 H GLN A 102 -10.256 7.760 -17.801 1.00 0.00 H new ATOM 0 HA GLN A 102 -9.217 10.385 -17.042 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -10.107 9.649 -19.382 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -11.698 9.843 -18.672 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -11.329 12.178 -18.207 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -9.601 12.040 -18.465 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -12.767 11.753 -20.029 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -12.261 12.226 -21.655 1.00 0.00 H new ATOM 1630 N GLY A 103 -11.174 11.291 -15.701 1.00 0.00 N ATOM 1631 CA GLY A 103 -12.097 11.689 -14.651 1.00 0.00 C ATOM 1632 C GLY A 103 -13.474 12.023 -15.230 1.00 0.00 C ATOM 1633 O GLY A 103 -14.061 13.050 -14.892 1.00 0.00 O ATOM 0 H GLY A 103 -10.597 12.047 -16.071 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -12.191 10.886 -13.920 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -11.701 12.556 -14.122 1.00 0.00 H new ATOM 1637 N ASP A 104 -13.950 11.136 -16.091 1.00 0.00 N ATOM 1638 CA ASP A 104 -15.246 11.323 -16.719 1.00 0.00 C ATOM 1639 C ASP A 104 -15.539 10.136 -17.639 1.00 0.00 C ATOM 1640 O ASP A 104 -16.107 10.307 -18.717 1.00 0.00 O ATOM 1641 CB ASP A 104 -15.268 12.596 -17.568 1.00 0.00 C ATOM 1642 CG ASP A 104 -16.495 13.487 -17.366 1.00 0.00 C ATOM 1643 OD1 ASP A 104 -17.091 13.393 -16.271 1.00 0.00 O ATOM 1644 OD2 ASP A 104 -16.809 14.243 -18.310 1.00 0.00 O ATOM 0 H ASP A 104 -13.461 10.285 -16.369 1.00 0.00 H new ATOM 0 HA ASP A 104 -15.994 11.402 -15.930 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -14.374 13.179 -17.345 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -15.211 12.314 -18.619 1.00 0.00 H new ATOM 1649 N THR A 105 -15.138 8.960 -17.180 1.00 0.00 N ATOM 1650 CA THR A 105 -15.350 7.745 -17.948 1.00 0.00 C ATOM 1651 C THR A 105 -15.840 6.617 -17.038 1.00 0.00 C ATOM 1652 O THR A 105 -15.880 5.458 -17.447 1.00 0.00 O ATOM 1653 CB THR A 105 -14.047 7.414 -18.679 1.00 0.00 C ATOM 1654 OG1 THR A 105 -14.475 6.800 -19.892 1.00 0.00 O ATOM 1655 CG2 THR A 105 -13.241 6.322 -17.973 1.00 0.00 C ATOM 0 H THR A 105 -14.667 8.823 -16.286 1.00 0.00 H new ATOM 0 HA THR A 105 -16.133 7.881 -18.694 1.00 0.00 H new ATOM 0 HB THR A 105 -13.440 8.315 -18.765 1.00 0.00 H new ATOM 0 HG1 THR A 105 -13.692 6.555 -20.428 1.00 0.00 H new ATOM 0 HG21 THR A 105 -12.327 6.125 -18.533 1.00 0.00 H new ATOM 0 HG22 THR A 105 -12.986 6.652 -16.966 1.00 0.00 H new ATOM 0 HG23 THR A 105 -13.835 5.410 -17.917 1.00 0.00 H new ATOM 1663 N LYS A 106 -16.200 6.997 -15.821 1.00 0.00 N ATOM 1664 CA LYS A 106 -16.686 6.032 -14.849 1.00 0.00 C ATOM 1665 C LYS A 106 -15.677 4.887 -14.725 1.00 0.00 C ATOM 1666 O LYS A 106 -14.694 4.840 -15.462 1.00 0.00 O ATOM 1667 CB LYS A 106 -18.099 5.569 -15.213 1.00 0.00 C ATOM 1668 CG LYS A 106 -18.775 4.886 -14.023 1.00 0.00 C ATOM 1669 CD LYS A 106 -20.282 5.152 -14.022 1.00 0.00 C ATOM 1670 CE LYS A 106 -20.984 4.323 -12.944 1.00 0.00 C ATOM 1671 NZ LYS A 106 -21.819 3.269 -13.563 1.00 0.00 N ATOM 0 H LYS A 106 -16.165 7.960 -15.486 1.00 0.00 H new ATOM 0 HA LYS A 106 -16.770 6.493 -13.865 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -18.695 6.424 -15.533 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -18.054 4.879 -16.056 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -18.592 3.812 -14.063 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -18.337 5.250 -13.093 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -20.468 6.212 -13.849 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -20.698 4.911 -15.000 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -20.243 3.869 -12.286 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -21.605 4.971 -12.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -22.288 2.716 -12.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -22.538 3.709 -14.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -21.218 2.641 -14.134 1.00 0.00 H new ATOM 1685 N VAL A 107 -15.957 3.994 -13.788 1.00 0.00 N ATOM 1686 CA VAL A 107 -15.087 2.853 -13.558 1.00 0.00 C ATOM 1687 C VAL A 107 -15.870 1.562 -13.801 1.00 0.00 C ATOM 1688 O VAL A 107 -16.887 1.317 -13.152 1.00 0.00 O ATOM 1689 CB VAL A 107 -14.482 2.931 -12.154 1.00 0.00 C ATOM 1690 CG1 VAL A 107 -13.525 1.764 -11.905 1.00 0.00 C ATOM 1691 CG2 VAL A 107 -13.780 4.273 -11.933 1.00 0.00 C ATOM 0 H VAL A 107 -16.774 4.037 -13.179 1.00 0.00 H new ATOM 0 HA VAL A 107 -14.252 2.862 -14.258 1.00 0.00 H new ATOM 0 HB VAL A 107 -15.296 2.857 -11.433 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -13.109 1.843 -10.901 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -14.066 0.823 -12.001 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -12.717 1.794 -12.636 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -13.359 4.302 -10.928 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -12.981 4.390 -12.665 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -14.500 5.083 -12.049 1.00 0.00 H new ATOM 1701 N GLU A 108 -15.368 0.770 -14.736 1.00 0.00 N ATOM 1702 CA GLU A 108 -16.009 -0.490 -15.072 1.00 0.00 C ATOM 1703 C GLU A 108 -15.503 -1.605 -14.154 1.00 0.00 C ATOM 1704 O GLU A 108 -15.170 -2.694 -14.619 1.00 0.00 O ATOM 1705 CB GLU A 108 -15.780 -0.846 -16.543 1.00 0.00 C ATOM 1706 CG GLU A 108 -14.287 -0.870 -16.876 1.00 0.00 C ATOM 1707 CD GLU A 108 -14.017 -1.718 -18.121 1.00 0.00 C ATOM 1708 OE1 GLU A 108 -14.216 -1.177 -19.230 1.00 0.00 O ATOM 1709 OE2 GLU A 108 -13.617 -2.887 -17.934 1.00 0.00 O ATOM 0 H GLU A 108 -14.525 0.976 -15.272 1.00 0.00 H new ATOM 0 HA GLU A 108 -17.083 -0.380 -14.921 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -16.220 -1.820 -16.758 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -16.286 -0.120 -17.179 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -13.931 0.147 -17.040 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -13.728 -1.271 -16.030 1.00 0.00 H new ATOM 1716 N LYS A 109 -15.462 -1.294 -12.867 1.00 0.00 N ATOM 1717 CA LYS A 109 -15.002 -2.255 -11.879 1.00 0.00 C ATOM 1718 C LYS A 109 -15.532 -1.856 -10.500 1.00 0.00 C ATOM 1719 O LYS A 109 -16.456 -2.480 -9.981 1.00 0.00 O ATOM 1720 CB LYS A 109 -13.480 -2.396 -11.936 1.00 0.00 C ATOM 1721 CG LYS A 109 -13.022 -3.686 -11.251 1.00 0.00 C ATOM 1722 CD LYS A 109 -12.433 -3.394 -9.870 1.00 0.00 C ATOM 1723 CE LYS A 109 -11.928 -4.677 -9.207 1.00 0.00 C ATOM 1724 NZ LYS A 109 -12.911 -5.172 -8.218 1.00 0.00 N ATOM 0 H LYS A 109 -15.740 -0.390 -12.485 1.00 0.00 H new ATOM 0 HA LYS A 109 -15.399 -3.246 -12.099 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -13.150 -2.395 -12.975 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -13.013 -1.538 -11.452 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -13.866 -4.369 -11.153 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -12.277 -4.186 -11.870 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -11.613 -2.682 -9.964 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -13.190 -2.928 -9.239 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -11.751 -5.440 -9.965 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -10.973 -4.488 -8.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -12.510 -5.983 -7.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -13.136 -4.414 -7.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -13.779 -5.468 -8.709 1.00 0.00 H new ATOM 1738 N ALA A 110 -14.923 -0.818 -9.946 1.00 0.00 N ATOM 1739 CA ALA A 110 -15.321 -0.328 -8.637 1.00 0.00 C ATOM 1740 C ALA A 110 -16.849 -0.302 -8.550 1.00 0.00 C ATOM 1741 O ALA A 110 -17.446 -1.096 -7.825 1.00 0.00 O ATOM 1742 CB ALA A 110 -14.701 1.050 -8.397 1.00 0.00 C ATOM 0 H ALA A 110 -14.157 -0.303 -10.380 1.00 0.00 H new ATOM 0 HA ALA A 110 -14.956 -0.991 -7.852 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -15.000 1.417 -7.415 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -13.615 0.973 -8.441 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -15.046 1.743 -9.164 1.00 0.00 H new ATOM 1748 N GLY A 111 -17.437 0.618 -9.300 1.00 0.00 N ATOM 1749 CA GLY A 111 -18.883 0.757 -9.317 1.00 0.00 C ATOM 1750 C GLY A 111 -19.298 2.200 -9.021 1.00 0.00 C ATOM 1751 O GLY A 111 -20.179 2.440 -8.197 1.00 0.00 O ATOM 0 H GLY A 111 -16.938 1.275 -9.900 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -19.270 0.456 -10.291 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -19.325 0.089 -8.578 1.00 0.00 H new ATOM 1755 N ALA A 112 -18.644 3.123 -9.711 1.00 0.00 N ATOM 1756 CA ALA A 112 -18.934 4.536 -9.532 1.00 0.00 C ATOM 1757 C ALA A 112 -17.939 5.363 -10.348 1.00 0.00 C ATOM 1758 O ALA A 112 -17.150 4.813 -11.114 1.00 0.00 O ATOM 1759 CB ALA A 112 -18.897 4.881 -8.042 1.00 0.00 C ATOM 0 H ALA A 112 -17.915 2.920 -10.395 1.00 0.00 H new ATOM 0 HA ALA A 112 -19.934 4.772 -9.895 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -19.115 5.941 -7.908 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -19.643 4.288 -7.513 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -17.907 4.661 -7.642 1.00 0.00 H new ATOM 1765 N GLU A 113 -18.009 6.673 -10.155 1.00 0.00 N ATOM 1766 CA GLU A 113 -17.124 7.582 -10.863 1.00 0.00 C ATOM 1767 C GLU A 113 -15.677 7.373 -10.411 1.00 0.00 C ATOM 1768 O GLU A 113 -15.426 7.046 -9.252 1.00 0.00 O ATOM 1769 CB GLU A 113 -17.557 9.035 -10.664 1.00 0.00 C ATOM 1770 CG GLU A 113 -18.923 9.293 -11.301 1.00 0.00 C ATOM 1771 CD GLU A 113 -19.415 10.708 -10.992 1.00 0.00 C ATOM 1772 OE1 GLU A 113 -18.554 11.614 -10.964 1.00 0.00 O ATOM 1773 OE2 GLU A 113 -20.640 10.853 -10.792 1.00 0.00 O ATOM 0 H GLU A 113 -18.665 7.126 -9.519 1.00 0.00 H new ATOM 0 HA GLU A 113 -17.186 7.363 -11.929 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -17.600 9.263 -9.599 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -16.815 9.702 -11.103 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -18.857 9.155 -12.380 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -19.644 8.565 -10.930 1.00 0.00 H new ATOM 1780 N SER A 114 -14.763 7.572 -11.349 1.00 0.00 N ATOM 1781 CA SER A 114 -13.348 7.410 -11.062 1.00 0.00 C ATOM 1782 C SER A 114 -12.886 8.491 -10.082 1.00 0.00 C ATOM 1783 O SER A 114 -12.062 8.229 -9.207 1.00 0.00 O ATOM 1784 CB SER A 114 -12.515 7.465 -12.344 1.00 0.00 C ATOM 1785 OG SER A 114 -12.882 8.564 -13.172 1.00 0.00 O ATOM 0 H SER A 114 -14.975 7.844 -12.309 1.00 0.00 H new ATOM 0 HA SER A 114 -13.202 6.430 -10.608 1.00 0.00 H new ATOM 0 HB2 SER A 114 -11.459 7.542 -12.087 1.00 0.00 H new ATOM 0 HB3 SER A 114 -12.641 6.535 -12.899 1.00 0.00 H new ATOM 0 HG SER A 114 -13.200 8.230 -14.037 1.00 0.00 H new ATOM 1791 N ALA A 115 -13.436 9.682 -10.263 1.00 0.00 N ATOM 1792 CA ALA A 115 -13.091 10.804 -9.406 1.00 0.00 C ATOM 1793 C ALA A 115 -13.540 10.504 -7.975 1.00 0.00 C ATOM 1794 O ALA A 115 -12.821 10.799 -7.021 1.00 0.00 O ATOM 1795 CB ALA A 115 -13.724 12.083 -9.959 1.00 0.00 C ATOM 0 H ALA A 115 -14.118 9.895 -10.991 1.00 0.00 H new ATOM 0 HA ALA A 115 -12.012 10.955 -9.388 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -13.465 12.924 -9.316 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -13.351 12.268 -10.966 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -14.808 11.969 -9.989 1.00 0.00 H new ATOM 1801 N VAL A 116 -14.725 9.920 -7.870 1.00 0.00 N ATOM 1802 CA VAL A 116 -15.277 9.577 -6.571 1.00 0.00 C ATOM 1803 C VAL A 116 -14.457 8.441 -5.956 1.00 0.00 C ATOM 1804 O VAL A 116 -14.031 8.530 -4.806 1.00 0.00 O ATOM 1805 CB VAL A 116 -16.762 9.235 -6.707 1.00 0.00 C ATOM 1806 CG1 VAL A 116 -17.343 8.770 -5.371 1.00 0.00 C ATOM 1807 CG2 VAL A 116 -17.549 10.423 -7.264 1.00 0.00 C ATOM 0 H VAL A 116 -15.318 9.676 -8.663 1.00 0.00 H new ATOM 0 HA VAL A 116 -15.213 10.428 -5.893 1.00 0.00 H new ATOM 0 HB VAL A 116 -16.852 8.411 -7.415 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -18.400 8.533 -5.496 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -16.810 7.882 -5.032 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -17.234 9.563 -4.631 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -18.602 10.154 -7.351 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -17.447 11.275 -6.591 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -17.160 10.688 -8.247 1.00 0.00 H new ATOM 1817 N VAL A 117 -14.259 7.400 -6.751 1.00 0.00 N ATOM 1818 CA VAL A 117 -13.497 6.248 -6.300 1.00 0.00 C ATOM 1819 C VAL A 117 -12.072 6.686 -5.958 1.00 0.00 C ATOM 1820 O VAL A 117 -11.536 6.311 -4.917 1.00 0.00 O ATOM 1821 CB VAL A 117 -13.546 5.142 -7.356 1.00 0.00 C ATOM 1822 CG1 VAL A 117 -12.636 3.974 -6.969 1.00 0.00 C ATOM 1823 CG2 VAL A 117 -14.981 4.665 -7.586 1.00 0.00 C ATOM 0 H VAL A 117 -14.613 7.330 -7.705 1.00 0.00 H new ATOM 0 HA VAL A 117 -13.935 5.832 -5.393 1.00 0.00 H new ATOM 0 HB VAL A 117 -13.178 5.558 -8.294 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -12.689 3.202 -7.736 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -11.609 4.327 -6.880 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -12.961 3.560 -6.014 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -14.987 3.879 -8.341 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -15.389 4.275 -6.653 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -15.592 5.501 -7.928 1.00 0.00 H new ATOM 1833 N HIS A 118 -11.499 7.475 -6.856 1.00 0.00 N ATOM 1834 CA HIS A 118 -10.146 7.969 -6.662 1.00 0.00 C ATOM 1835 C HIS A 118 -10.025 8.606 -5.277 1.00 0.00 C ATOM 1836 O HIS A 118 -9.086 8.317 -4.536 1.00 0.00 O ATOM 1837 CB HIS A 118 -9.750 8.923 -7.791 1.00 0.00 C ATOM 1838 CG HIS A 118 -8.386 9.548 -7.616 1.00 0.00 C ATOM 1839 ND1 HIS A 118 -7.359 9.372 -8.527 1.00 0.00 N ATOM 1840 CD2 HIS A 118 -7.892 10.348 -6.629 1.00 0.00 C ATOM 1841 CE1 HIS A 118 -6.299 10.040 -8.097 1.00 0.00 C ATOM 1842 NE2 HIS A 118 -6.631 10.644 -6.920 1.00 0.00 N ATOM 0 H HIS A 118 -11.947 7.784 -7.719 1.00 0.00 H new ATOM 0 HA HIS A 118 -9.442 7.138 -6.703 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -9.771 8.380 -8.736 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -10.495 9.715 -7.862 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -8.435 10.684 -5.758 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -5.340 10.096 -8.591 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -6.012 11.227 -6.356 1.00 0.00 H new ATOM 1850 N GLU A 119 -10.989 9.462 -4.968 1.00 0.00 N ATOM 1851 CA GLU A 119 -11.002 10.142 -3.684 1.00 0.00 C ATOM 1852 C GLU A 119 -11.199 9.134 -2.551 1.00 0.00 C ATOM 1853 O GLU A 119 -10.461 9.148 -1.567 1.00 0.00 O ATOM 1854 CB GLU A 119 -12.083 11.224 -3.649 1.00 0.00 C ATOM 1855 CG GLU A 119 -11.786 12.330 -4.664 1.00 0.00 C ATOM 1856 CD GLU A 119 -13.050 13.124 -4.996 1.00 0.00 C ATOM 1857 OE1 GLU A 119 -13.636 13.683 -4.044 1.00 0.00 O ATOM 1858 OE2 GLU A 119 -13.403 13.155 -6.195 1.00 0.00 O ATOM 0 H GLU A 119 -11.766 9.700 -5.585 1.00 0.00 H new ATOM 0 HA GLU A 119 -10.038 10.632 -3.544 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -13.055 10.779 -3.864 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -12.143 11.651 -2.648 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -11.026 13.001 -4.264 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -11.378 11.892 -5.575 1.00 0.00 H new ATOM 1865 N ARG A 120 -12.198 8.281 -2.727 1.00 0.00 N ATOM 1866 CA ARG A 120 -12.501 7.268 -1.731 1.00 0.00 C ATOM 1867 C ARG A 120 -11.279 6.379 -1.489 1.00 0.00 C ATOM 1868 O ARG A 120 -10.746 6.339 -0.381 1.00 0.00 O ATOM 1869 CB ARG A 120 -13.678 6.395 -2.173 1.00 0.00 C ATOM 1870 CG ARG A 120 -14.946 6.749 -1.394 1.00 0.00 C ATOM 1871 CD ARG A 120 -15.770 5.496 -1.090 1.00 0.00 C ATOM 1872 NE ARG A 120 -15.231 4.814 0.108 1.00 0.00 N ATOM 1873 CZ ARG A 120 -15.471 3.532 0.414 1.00 0.00 C ATOM 1874 NH1 ARG A 120 -16.243 2.785 -0.387 1.00 0.00 N ATOM 1875 NH2 ARG A 120 -14.939 2.996 1.521 1.00 0.00 N ATOM 0 H ARG A 120 -12.808 8.271 -3.545 1.00 0.00 H new ATOM 0 HA ARG A 120 -12.770 7.781 -0.808 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -13.854 6.528 -3.240 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -13.434 5.344 -2.019 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -14.678 7.247 -0.462 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -15.547 7.453 -1.970 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -16.813 5.768 -0.926 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -15.748 4.820 -1.945 1.00 0.00 H new ATOM 0 HE ARG A 120 -14.640 5.354 0.740 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -16.648 3.192 -1.230 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -16.426 1.809 -0.154 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -14.351 3.564 2.131 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -15.122 2.020 1.754 1.00 0.00 H new ATOM 1889 N MET A 121 -10.871 5.689 -2.543 1.00 0.00 N ATOM 1890 CA MET A 121 -9.722 4.804 -2.459 1.00 0.00 C ATOM 1891 C MET A 121 -8.501 5.541 -1.906 1.00 0.00 C ATOM 1892 O MET A 121 -7.806 5.029 -1.030 1.00 0.00 O ATOM 1893 CB MET A 121 -9.399 4.253 -3.850 1.00 0.00 C ATOM 1894 CG MET A 121 -9.690 2.752 -3.926 1.00 0.00 C ATOM 1895 SD MET A 121 -8.160 1.838 -4.020 1.00 0.00 S ATOM 1896 CE MET A 121 -8.713 0.401 -4.923 1.00 0.00 C ATOM 0 H MET A 121 -11.316 5.725 -3.460 1.00 0.00 H new ATOM 0 HA MET A 121 -9.966 3.986 -1.782 1.00 0.00 H new ATOM 0 HB2 MET A 121 -9.989 4.780 -4.600 1.00 0.00 H new ATOM 0 HB3 MET A 121 -8.350 4.436 -4.083 1.00 0.00 H new ATOM 0 HG2 MET A 121 -10.257 2.438 -3.050 1.00 0.00 H new ATOM 0 HG3 MET A 121 -10.306 2.536 -4.799 1.00 0.00 H new ATOM 0 HE1 MET A 121 -7.875 -0.281 -5.071 1.00 0.00 H new ATOM 0 HE2 MET A 121 -9.497 -0.104 -4.358 1.00 0.00 H new ATOM 0 HE3 MET A 121 -9.105 0.709 -5.892 1.00 0.00 H new ATOM 1906 N ASP A 122 -8.277 6.733 -2.441 1.00 0.00 N ATOM 1907 CA ASP A 122 -7.152 7.546 -2.012 1.00 0.00 C ATOM 1908 C ASP A 122 -7.217 7.740 -0.495 1.00 0.00 C ATOM 1909 O ASP A 122 -6.260 7.437 0.215 1.00 0.00 O ATOM 1910 CB ASP A 122 -7.189 8.928 -2.667 1.00 0.00 C ATOM 1911 CG ASP A 122 -6.121 9.906 -2.175 1.00 0.00 C ATOM 1912 OD1 ASP A 122 -5.179 9.429 -1.507 1.00 0.00 O ATOM 1913 OD2 ASP A 122 -6.271 11.110 -2.478 1.00 0.00 O ATOM 0 H ASP A 122 -8.856 7.155 -3.167 1.00 0.00 H new ATOM 0 HA ASP A 122 -6.235 7.033 -2.304 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -7.079 8.806 -3.745 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -8.171 9.369 -2.495 1.00 0.00 H new ATOM 1918 N ARG A 123 -8.357 8.244 -0.044 1.00 0.00 N ATOM 1919 CA ARG A 123 -8.560 8.482 1.375 1.00 0.00 C ATOM 1920 C ARG A 123 -8.222 7.223 2.178 1.00 0.00 C ATOM 1921 O ARG A 123 -7.423 7.274 3.111 1.00 0.00 O ATOM 1922 CB ARG A 123 -10.005 8.890 1.664 1.00 0.00 C ATOM 1923 CG ARG A 123 -10.106 10.392 1.938 1.00 0.00 C ATOM 1924 CD ARG A 123 -10.239 10.668 3.437 1.00 0.00 C ATOM 1925 NE ARG A 123 -9.124 11.527 3.894 1.00 0.00 N ATOM 1926 CZ ARG A 123 -8.944 11.910 5.165 1.00 0.00 C ATOM 1927 NH1 ARG A 123 -9.804 11.514 6.113 1.00 0.00 N ATOM 1928 NH2 ARG A 123 -7.903 12.690 5.489 1.00 0.00 N ATOM 0 H ARG A 123 -9.149 8.494 -0.636 1.00 0.00 H new ATOM 0 HA ARG A 123 -7.899 9.296 1.673 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -10.637 8.628 0.816 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -10.379 8.334 2.524 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -9.222 10.897 1.549 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -10.966 10.804 1.411 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -11.192 11.155 3.642 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -10.236 9.729 3.990 1.00 0.00 H new ATOM 0 HE ARG A 123 -8.451 11.847 3.198 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -10.596 10.921 5.867 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -9.666 11.806 7.081 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -7.248 12.992 4.768 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -7.766 12.982 6.457 1.00 0.00 H new ATOM 1942 N GLY A 124 -8.848 6.124 1.785 1.00 0.00 N ATOM 1943 CA GLY A 124 -8.625 4.855 2.456 1.00 0.00 C ATOM 1944 C GLY A 124 -7.183 4.379 2.263 1.00 0.00 C ATOM 1945 O GLY A 124 -6.650 3.649 3.097 1.00 0.00 O ATOM 0 H GLY A 124 -9.510 6.086 1.010 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -8.838 4.960 3.520 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -9.314 4.107 2.065 1.00 0.00 H new ATOM 1949 N TRP A 125 -6.593 4.813 1.159 1.00 0.00 N ATOM 1950 CA TRP A 125 -5.224 4.441 0.847 1.00 0.00 C ATOM 1951 C TRP A 125 -4.304 5.140 1.849 1.00 0.00 C ATOM 1952 O TRP A 125 -3.504 4.490 2.521 1.00 0.00 O ATOM 1953 CB TRP A 125 -4.884 4.771 -0.608 1.00 0.00 C ATOM 1954 CG TRP A 125 -4.783 3.545 -1.517 1.00 0.00 C ATOM 1955 CD1 TRP A 125 -5.478 3.286 -2.634 1.00 0.00 C ATOM 1956 CD2 TRP A 125 -3.904 2.414 -1.342 1.00 0.00 C ATOM 1957 NE1 TRP A 125 -5.113 2.077 -3.188 1.00 0.00 N ATOM 1958 CE2 TRP A 125 -4.125 1.529 -2.377 1.00 0.00 C ATOM 1959 CE3 TRP A 125 -2.954 2.148 -0.341 1.00 0.00 C ATOM 1960 CZ2 TRP A 125 -3.434 0.319 -2.512 1.00 0.00 C ATOM 1961 CZ3 TRP A 125 -2.272 0.934 -0.490 1.00 0.00 C ATOM 1962 CH2 TRP A 125 -2.483 0.033 -1.526 1.00 0.00 C ATOM 0 H TRP A 125 -7.038 5.419 0.470 1.00 0.00 H new ATOM 0 HA TRP A 125 -5.086 3.364 0.941 1.00 0.00 H new ATOM 0 HB2 TRP A 125 -5.645 5.443 -1.005 1.00 0.00 H new ATOM 0 HB3 TRP A 125 -3.937 5.310 -0.636 1.00 0.00 H new ATOM 0 HD1 TRP A 125 -6.229 3.942 -3.048 1.00 0.00 H new ATOM 0 HE1 TRP A 125 -5.497 1.661 -4.037 1.00 0.00 H new ATOM 0 HE3 TRP A 125 -2.765 2.826 0.478 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 -3.624 -0.357 -3.332 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 -1.530 0.680 0.253 1.00 0.00 H new ATOM 0 HH2 TRP A 125 -1.915 -0.885 -1.570 1.00 0.00 H new ATOM 1973 N HIS A 126 -4.447 6.456 1.918 1.00 0.00 N ATOM 1974 CA HIS A 126 -3.638 7.250 2.827 1.00 0.00 C ATOM 1975 C HIS A 126 -3.921 6.826 4.269 1.00 0.00 C ATOM 1976 O HIS A 126 -3.002 6.475 5.008 1.00 0.00 O ATOM 1977 CB HIS A 126 -3.867 8.745 2.592 1.00 0.00 C ATOM 1978 CG HIS A 126 -2.841 9.634 3.254 1.00 0.00 C ATOM 1979 ND1 HIS A 126 -3.178 10.801 3.917 1.00 0.00 N ATOM 1980 CD2 HIS A 126 -1.486 9.514 3.349 1.00 0.00 C ATOM 1981 CE1 HIS A 126 -2.067 11.352 4.385 1.00 0.00 C ATOM 1982 NE2 HIS A 126 -1.020 10.553 4.031 1.00 0.00 N ATOM 0 H HIS A 126 -5.111 6.992 1.359 1.00 0.00 H new ATOM 0 HA HIS A 126 -2.581 7.068 2.633 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -3.863 8.939 1.519 1.00 0.00 H new ATOM 0 HB3 HIS A 126 -4.857 9.013 2.961 1.00 0.00 H new ATOM 0 HD1 HIS A 126 -4.121 11.174 4.027 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -0.893 8.710 2.939 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -2.002 12.272 4.948 1.00 0.00 H new ATOM 1990 N ASP A 127 -5.196 6.873 4.627 1.00 0.00 N ATOM 1991 CA ASP A 127 -5.611 6.498 5.968 1.00 0.00 C ATOM 1992 C ASP A 127 -5.063 5.108 6.297 1.00 0.00 C ATOM 1993 O ASP A 127 -4.663 4.846 7.430 1.00 0.00 O ATOM 1994 CB ASP A 127 -7.136 6.443 6.077 1.00 0.00 C ATOM 1995 CG ASP A 127 -7.700 6.808 7.451 1.00 0.00 C ATOM 1996 OD1 ASP A 127 -6.876 6.976 8.376 1.00 0.00 O ATOM 1997 OD2 ASP A 127 -8.942 6.912 7.546 1.00 0.00 O ATOM 0 H ASP A 127 -5.955 7.165 4.012 1.00 0.00 H new ATOM 0 HA ASP A 127 -5.226 7.246 6.662 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -7.563 7.118 5.335 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -7.467 5.437 5.821 1.00 0.00 H new ATOM 2002 N LEU A 128 -5.063 4.252 5.285 1.00 0.00 N ATOM 2003 CA LEU A 128 -4.571 2.895 5.452 1.00 0.00 C ATOM 2004 C LEU A 128 -3.070 2.934 5.745 1.00 0.00 C ATOM 2005 O LEU A 128 -2.532 2.024 6.374 1.00 0.00 O ATOM 2006 CB LEU A 128 -4.939 2.038 4.240 1.00 0.00 C ATOM 2007 CG LEU A 128 -4.254 0.673 4.150 1.00 0.00 C ATOM 2008 CD1 LEU A 128 -4.549 -0.171 5.391 1.00 0.00 C ATOM 2009 CD2 LEU A 128 -4.640 -0.051 2.859 1.00 0.00 C ATOM 0 H LEU A 128 -5.396 4.472 4.346 1.00 0.00 H new ATOM 0 HA LEU A 128 -5.051 2.419 6.307 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -6.018 1.881 4.245 1.00 0.00 H new ATOM 0 HB3 LEU A 128 -4.703 2.601 3.337 1.00 0.00 H new ATOM 0 HG LEU A 128 -3.176 0.833 4.118 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -4.050 -1.136 5.302 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -4.183 0.346 6.278 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -5.624 -0.325 5.479 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -4.139 -1.018 2.821 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -5.719 -0.200 2.834 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -4.337 0.549 2.001 1.00 0.00 H new ATOM 2021 N VAL A 129 -2.435 3.998 5.275 1.00 0.00 N ATOM 2022 CA VAL A 129 -1.006 4.168 5.479 1.00 0.00 C ATOM 2023 C VAL A 129 -0.760 5.433 6.303 1.00 0.00 C ATOM 2024 O VAL A 129 0.252 6.109 6.121 1.00 0.00 O ATOM 2025 CB VAL A 129 -0.284 4.183 4.130 1.00 0.00 C ATOM 2026 CG1 VAL A 129 -0.326 5.576 3.501 1.00 0.00 C ATOM 2027 CG2 VAL A 129 1.157 3.690 4.275 1.00 0.00 C ATOM 0 H VAL A 129 -2.884 4.751 4.754 1.00 0.00 H new ATOM 0 HA VAL A 129 -0.597 3.329 6.042 1.00 0.00 H new ATOM 0 HB VAL A 129 -0.807 3.499 3.462 1.00 0.00 H new ATOM 0 HG11 VAL A 129 0.194 5.559 2.543 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -1.363 5.874 3.345 1.00 0.00 H new ATOM 0 HG13 VAL A 129 0.161 6.290 4.165 1.00 0.00 H new ATOM 0 HG21 VAL A 129 1.648 3.710 3.302 1.00 0.00 H new ATOM 0 HG22 VAL A 129 1.695 4.338 4.967 1.00 0.00 H new ATOM 0 HG23 VAL A 129 1.156 2.670 4.659 1.00 0.00 H new ATOM 2037 N ASN A 130 -1.701 5.715 7.191 1.00 0.00 N ATOM 2038 CA ASN A 130 -1.599 6.887 8.044 1.00 0.00 C ATOM 2039 C ASN A 130 -1.614 6.449 9.510 1.00 0.00 C ATOM 2040 O ASN A 130 -0.752 6.849 10.290 1.00 0.00 O ATOM 2041 CB ASN A 130 -2.779 7.835 7.822 1.00 0.00 C ATOM 2042 CG ASN A 130 -2.331 9.296 7.900 1.00 0.00 C ATOM 2043 OD1 ASN A 130 -2.520 9.977 8.895 1.00 0.00 O ATOM 2044 ND2 ASN A 130 -1.729 9.737 6.800 1.00 0.00 N ATOM 0 H ASN A 130 -2.539 5.152 7.339 1.00 0.00 H new ATOM 0 HA ASN A 130 -0.671 7.403 7.798 1.00 0.00 H new ATOM 0 HB2 ASN A 130 -3.228 7.640 6.848 1.00 0.00 H new ATOM 0 HB3 ASN A 130 -3.548 7.646 8.571 1.00 0.00 H new ATOM 0 HD21 ASN A 130 -1.393 10.699 6.753 1.00 0.00 H new ATOM 0 HD22 ASN A 130 -1.603 9.113 6.003 1.00 0.00 H new ATOM 2051 N GLU A 131 -2.604 5.633 9.840 1.00 0.00 N ATOM 2052 CA GLU A 131 -2.743 5.136 11.198 1.00 0.00 C ATOM 2053 C GLU A 131 -2.637 3.610 11.219 1.00 0.00 C ATOM 2054 O GLU A 131 -1.827 3.050 11.957 1.00 0.00 O ATOM 2055 CB GLU A 131 -4.061 5.602 11.820 1.00 0.00 C ATOM 2056 CG GLU A 131 -4.304 7.086 11.541 1.00 0.00 C ATOM 2057 CD GLU A 131 -4.559 7.854 12.839 1.00 0.00 C ATOM 2058 OE1 GLU A 131 -5.557 7.516 13.513 1.00 0.00 O ATOM 2059 OE2 GLU A 131 -3.751 8.762 13.130 1.00 0.00 O ATOM 0 H GLU A 131 -3.318 5.304 9.190 1.00 0.00 H new ATOM 0 HA GLU A 131 -1.930 5.545 11.798 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -4.885 5.013 11.418 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -4.041 5.429 12.896 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -3.441 7.509 11.028 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -5.158 7.199 10.874 1.00 0.00 H new ATOM 2066 N ARG A 132 -3.466 2.979 10.399 1.00 0.00 N ATOM 2067 CA ARG A 132 -3.475 1.529 10.314 1.00 0.00 C ATOM 2068 C ARG A 132 -2.045 0.986 10.356 1.00 0.00 C ATOM 2069 O ARG A 132 -1.691 0.228 11.258 1.00 0.00 O ATOM 2070 CB ARG A 132 -4.155 1.057 9.028 1.00 0.00 C ATOM 2071 CG ARG A 132 -5.659 1.336 9.068 1.00 0.00 C ATOM 2072 CD ARG A 132 -6.454 0.037 9.209 1.00 0.00 C ATOM 2073 NE ARG A 132 -7.534 0.210 10.206 1.00 0.00 N ATOM 2074 CZ ARG A 132 -8.665 0.892 9.979 1.00 0.00 C ATOM 2075 NH1 ARG A 132 -8.871 1.469 8.787 1.00 0.00 N ATOM 2076 NH2 ARG A 132 -9.590 0.996 10.943 1.00 0.00 N ATOM 0 H ARG A 132 -4.136 3.446 9.788 1.00 0.00 H new ATOM 0 HA ARG A 132 -4.036 1.150 11.168 1.00 0.00 H new ATOM 0 HB2 ARG A 132 -3.711 1.563 8.171 1.00 0.00 H new ATOM 0 HB3 ARG A 132 -3.983 -0.011 8.892 1.00 0.00 H new ATOM 0 HG2 ARG A 132 -5.887 1.999 9.903 1.00 0.00 H new ATOM 0 HG3 ARG A 132 -5.961 1.854 8.158 1.00 0.00 H new ATOM 0 HD2 ARG A 132 -6.879 -0.245 8.246 1.00 0.00 H new ATOM 0 HD3 ARG A 132 -5.792 -0.773 9.515 1.00 0.00 H new ATOM 0 HE ARG A 132 -7.410 -0.217 11.124 1.00 0.00 H new ATOM 0 HH11 ARG A 132 -8.167 1.389 8.053 1.00 0.00 H new ATOM 0 HH12 ARG A 132 -9.732 1.988 8.614 1.00 0.00 H new ATOM 0 HH21 ARG A 132 -9.433 0.556 11.850 1.00 0.00 H new ATOM 0 HH22 ARG A 132 -10.451 1.515 10.770 1.00 0.00 H new ATOM 2090 N LEU A 133 -1.262 1.394 9.368 1.00 0.00 N ATOM 2091 CA LEU A 133 0.121 0.957 9.280 1.00 0.00 C ATOM 2092 C LEU A 133 0.901 1.504 10.478 1.00 0.00 C ATOM 2093 O LEU A 133 1.727 0.801 11.058 1.00 0.00 O ATOM 2094 CB LEU A 133 0.721 1.345 7.927 1.00 0.00 C ATOM 2095 CG LEU A 133 2.223 1.104 7.765 1.00 0.00 C ATOM 2096 CD1 LEU A 133 2.550 -0.388 7.845 1.00 0.00 C ATOM 2097 CD2 LEU A 133 2.743 1.737 6.473 1.00 0.00 C ATOM 0 H LEU A 133 -1.559 2.023 8.622 1.00 0.00 H new ATOM 0 HA LEU A 133 0.181 -0.130 9.329 1.00 0.00 H new ATOM 0 HB2 LEU A 133 0.198 0.790 7.148 1.00 0.00 H new ATOM 0 HB3 LEU A 133 0.522 2.403 7.754 1.00 0.00 H new ATOM 0 HG LEU A 133 2.739 1.591 8.592 1.00 0.00 H new ATOM 0 HD11 LEU A 133 3.624 -0.532 7.727 1.00 0.00 H new ATOM 0 HD12 LEU A 133 2.236 -0.778 8.813 1.00 0.00 H new ATOM 0 HD13 LEU A 133 2.023 -0.919 7.052 1.00 0.00 H new ATOM 0 HD21 LEU A 133 3.813 1.551 6.382 1.00 0.00 H new ATOM 0 HD22 LEU A 133 2.225 1.300 5.619 1.00 0.00 H new ATOM 0 HD23 LEU A 133 2.562 2.812 6.496 1.00 0.00 H new ATOM 2109 N ARG A 134 0.611 2.753 10.812 1.00 0.00 N ATOM 2110 CA ARG A 134 1.274 3.401 11.930 1.00 0.00 C ATOM 2111 C ARG A 134 1.166 2.535 13.186 1.00 0.00 C ATOM 2112 O ARG A 134 2.074 2.525 14.017 1.00 0.00 O ATOM 2113 CB ARG A 134 0.662 4.775 12.212 1.00 0.00 C ATOM 2114 CG ARG A 134 1.613 5.639 13.042 1.00 0.00 C ATOM 2115 CD ARG A 134 0.888 6.260 14.238 1.00 0.00 C ATOM 2116 NE ARG A 134 0.480 7.646 13.919 1.00 0.00 N ATOM 2117 CZ ARG A 134 -0.495 8.308 14.556 1.00 0.00 C ATOM 2118 NH1 ARG A 134 -1.168 7.715 15.551 1.00 0.00 N ATOM 2119 NH2 ARG A 134 -0.796 9.564 14.199 1.00 0.00 N ATOM 0 H ARG A 134 -0.074 3.333 10.328 1.00 0.00 H new ATOM 0 HA ARG A 134 2.323 3.531 11.663 1.00 0.00 H new ATOM 0 HB2 ARG A 134 0.437 5.277 11.271 1.00 0.00 H new ATOM 0 HB3 ARG A 134 -0.282 4.654 12.743 1.00 0.00 H new ATOM 0 HG2 ARG A 134 2.448 5.033 13.393 1.00 0.00 H new ATOM 0 HG3 ARG A 134 2.032 6.427 12.417 1.00 0.00 H new ATOM 0 HD2 ARG A 134 0.012 5.664 14.492 1.00 0.00 H new ATOM 0 HD3 ARG A 134 1.540 6.256 15.111 1.00 0.00 H new ATOM 0 HE ARG A 134 0.972 8.128 13.167 1.00 0.00 H new ATOM 0 HH11 ARG A 134 -0.938 6.759 15.824 1.00 0.00 H new ATOM 0 HH12 ARG A 134 -1.910 8.219 16.036 1.00 0.00 H new ATOM 0 HH21 ARG A 134 -0.283 10.016 13.442 1.00 0.00 H new ATOM 0 HH22 ARG A 134 -1.538 10.068 14.684 1.00 0.00 H new ATOM 2133 N GLN A 135 0.050 1.829 13.286 1.00 0.00 N ATOM 2134 CA GLN A 135 -0.188 0.962 14.427 1.00 0.00 C ATOM 2135 C GLN A 135 0.639 -0.319 14.302 1.00 0.00 C ATOM 2136 O GLN A 135 1.068 -0.885 15.306 1.00 0.00 O ATOM 2137 CB GLN A 135 -1.677 0.641 14.571 1.00 0.00 C ATOM 2138 CG GLN A 135 -2.244 1.236 15.862 1.00 0.00 C ATOM 2139 CD GLN A 135 -3.141 0.228 16.583 1.00 0.00 C ATOM 2140 OE1 GLN A 135 -3.682 -0.694 15.993 1.00 0.00 O ATOM 2141 NE2 GLN A 135 -3.268 0.453 17.887 1.00 0.00 N ATOM 0 H GLN A 135 -0.700 1.840 12.595 1.00 0.00 H new ATOM 0 HA GLN A 135 0.126 1.487 15.329 1.00 0.00 H new ATOM 0 HB2 GLN A 135 -2.222 1.036 13.714 1.00 0.00 H new ATOM 0 HB3 GLN A 135 -1.822 -0.439 14.570 1.00 0.00 H new ATOM 0 HG2 GLN A 135 -1.427 1.535 16.518 1.00 0.00 H new ATOM 0 HG3 GLN A 135 -2.814 2.136 15.632 1.00 0.00 H new ATOM 0 HE21 GLN A 135 -2.788 1.243 18.317 1.00 0.00 H new ATOM 0 HE22 GLN A 135 -3.846 -0.165 18.457 1.00 0.00 H new ATOM 2150 N ILE A 136 0.838 -0.738 13.061 1.00 0.00 N ATOM 2151 CA ILE A 136 1.606 -1.942 12.791 1.00 0.00 C ATOM 2152 C ILE A 136 2.983 -1.820 13.446 1.00 0.00 C ATOM 2153 O ILE A 136 3.641 -2.825 13.707 1.00 0.00 O ATOM 2154 CB ILE A 136 1.663 -2.215 11.287 1.00 0.00 C ATOM 2155 CG1 ILE A 136 0.256 -2.363 10.703 1.00 0.00 C ATOM 2156 CG2 ILE A 136 2.539 -3.432 10.984 1.00 0.00 C ATOM 2157 CD1 ILE A 136 -0.459 -3.578 11.296 1.00 0.00 C ATOM 0 H ILE A 136 0.481 -0.265 12.231 1.00 0.00 H new ATOM 0 HA ILE A 136 1.118 -2.812 13.231 1.00 0.00 H new ATOM 0 HB ILE A 136 2.125 -1.356 10.801 1.00 0.00 H new ATOM 0 HG12 ILE A 136 -0.322 -1.462 10.906 1.00 0.00 H new ATOM 0 HG13 ILE A 136 0.317 -2.466 9.620 1.00 0.00 H new ATOM 0 HG21 ILE A 136 2.563 -3.604 9.908 1.00 0.00 H new ATOM 0 HG22 ILE A 136 3.551 -3.250 11.345 1.00 0.00 H new ATOM 0 HG23 ILE A 136 2.128 -4.310 11.483 1.00 0.00 H new ATOM 0 HD11 ILE A 136 -1.456 -3.660 10.864 1.00 0.00 H new ATOM 0 HD12 ILE A 136 0.109 -4.480 11.071 1.00 0.00 H new ATOM 0 HD13 ILE A 136 -0.540 -3.461 12.377 1.00 0.00 H new ATOM 2169 N VAL A 137 3.378 -0.579 13.693 1.00 0.00 N ATOM 2170 CA VAL A 137 4.665 -0.313 14.313 1.00 0.00 C ATOM 2171 C VAL A 137 4.443 0.282 15.705 1.00 0.00 C ATOM 2172 O VAL A 137 5.193 -0.009 16.635 1.00 0.00 O ATOM 2173 CB VAL A 137 5.506 0.587 13.406 1.00 0.00 C ATOM 2174 CG1 VAL A 137 5.736 -0.069 12.043 1.00 0.00 C ATOM 2175 CG2 VAL A 137 4.860 1.965 13.249 1.00 0.00 C ATOM 0 H VAL A 137 2.829 0.253 13.475 1.00 0.00 H new ATOM 0 HA VAL A 137 5.226 -1.239 14.441 1.00 0.00 H new ATOM 0 HB VAL A 137 6.478 0.725 13.880 1.00 0.00 H new ATOM 0 HG11 VAL A 137 6.336 0.592 11.418 1.00 0.00 H new ATOM 0 HG12 VAL A 137 6.260 -1.015 12.178 1.00 0.00 H new ATOM 0 HG13 VAL A 137 4.776 -0.252 11.560 1.00 0.00 H new ATOM 0 HG21 VAL A 137 5.478 2.585 12.600 1.00 0.00 H new ATOM 0 HG22 VAL A 137 3.869 1.854 12.809 1.00 0.00 H new ATOM 0 HG23 VAL A 137 4.772 2.439 14.227 1.00 0.00 H new ATOM 2185 N GLU A 138 3.409 1.104 15.804 1.00 0.00 N ATOM 2186 CA GLU A 138 3.078 1.742 17.067 1.00 0.00 C ATOM 2187 C GLU A 138 2.138 0.851 17.882 1.00 0.00 C ATOM 2188 O GLU A 138 1.467 1.325 18.797 1.00 0.00 O ATOM 2189 CB GLU A 138 2.463 3.124 16.838 1.00 0.00 C ATOM 2190 CG GLU A 138 3.504 4.106 16.298 1.00 0.00 C ATOM 2191 CD GLU A 138 3.635 5.325 17.213 1.00 0.00 C ATOM 2192 OE1 GLU A 138 2.802 6.244 17.056 1.00 0.00 O ATOM 2193 OE2 GLU A 138 4.564 5.311 18.049 1.00 0.00 O ATOM 0 H GLU A 138 2.789 1.343 15.030 1.00 0.00 H new ATOM 0 HA GLU A 138 3.998 1.880 17.635 1.00 0.00 H new ATOM 0 HB2 GLU A 138 1.634 3.045 16.135 1.00 0.00 H new ATOM 0 HB3 GLU A 138 2.052 3.503 17.774 1.00 0.00 H new ATOM 0 HG2 GLU A 138 4.469 3.607 16.211 1.00 0.00 H new ATOM 0 HG3 GLU A 138 3.220 4.428 15.296 1.00 0.00 H new TER 2200 GLU A 138