USER MOD reduce.3.24.130724 H: found=0, std=0, add=809, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 808 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 46 MET CE :methyl 180:sc= -0.143 (180deg=-0.143) USER MOD Set 1.2: A 97 GLN : amide:sc= -0.0342 K(o=-0.18,f=-0.88) USER MOD Set 2.1: A 29 CYS SG : rot 162:sc= -0.0492 USER MOD Set 2.2: A 32 CYS SG : rot 68:sc= -0.467 USER MOD Set 3.1: A 7 THR OG1 : rot 106:sc= 1.31 USER MOD Set 3.2: A 9 GLN : amide:sc= 0.757 K(o=2.1,f=-2.5!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -173:sc= 0 (180deg=-0.0231) USER MOD Single : A 5 LYS NZ :NH3+ 163:sc= 1.1 (180deg=0.884) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0.0475 USER MOD Single : A 15 THR OG1 : rot -83:sc= 1.26 USER MOD Single : A 16 SER OG : rot 106:sc= 1.28 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= 0.496 X(o=0.5,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 175:sc= 3.76 (180deg=3.58) USER MOD Single : A 54 LYS NZ :NH3+ 148:sc= 1.3 (180deg=1.18) USER MOD Single : A 60 ASN : amide:sc= 0.239 K(o=0.24,f=-7.6!) USER MOD Single : A 61 GLN :FLIP amide:sc= -1.41! C(o=-2.2!,f=-1.4!) USER MOD Single : A 63 THR OG1 : rot -149:sc= -0.123 USER MOD Single : A 66 LYS NZ :NH3+ -155:sc= 2.08 (180deg=1.55) USER MOD Single : A 67 TYR OH : rot -132:sc= 0.425 USER MOD Single : A 70 MET CE :methyl -171:sc= 0 (180deg=-0.101) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 118:sc= 1.28 USER MOD Single : A 79 LYS NZ :NH3+ -158:sc= 2.01 (180deg=1.24) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ -163:sc= 2.29 (180deg=1.81) USER MOD Single : A 93 LYS NZ :NH3+ 172:sc= 1.28 (180deg=1.12) USER MOD Single : A 101 ASN : amide:sc= 0.278 X(o=0.28,f=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 HIS : no HE2:sc= 0 X(o=0,f=-0.32) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.138 -0.510 0.299 1.00 0.00 N ATOM 2 CA MET A 1 2.010 -0.610 -1.176 1.00 0.00 C ATOM 3 C MET A 1 2.081 -2.079 -1.603 1.00 0.00 C ATOM 4 O MET A 1 3.160 -2.613 -1.880 1.00 0.00 O ATOM 5 CB MET A 1 3.046 0.262 -1.919 1.00 0.00 C ATOM 6 CG MET A 1 2.749 1.763 -1.797 1.00 0.00 C ATOM 7 SD MET A 1 3.970 2.837 -2.597 1.00 0.00 S ATOM 8 CE MET A 1 3.075 4.413 -2.520 1.00 0.00 C ATOM 0 H1 MET A 1 1.971 0.473 0.596 1.00 0.00 H new ATOM 0 H2 MET A 1 1.438 -1.132 0.751 1.00 0.00 H new ATOM 0 H3 MET A 1 3.095 -0.800 0.585 1.00 0.00 H new ATOM 0 HA MET A 1 1.035 -0.213 -1.460 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.040 0.058 -1.520 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.062 -0.017 -2.973 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.769 1.963 -2.230 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.690 2.024 -0.740 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.681 5.198 -2.972 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.134 4.324 -3.063 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.871 4.665 -1.479 1.00 0.00 H new ATOM 20 N ALA A 2 0.925 -2.749 -1.608 1.00 0.00 N ATOM 21 CA ALA A 2 0.701 -4.068 -2.182 1.00 0.00 C ATOM 22 C ALA A 2 -0.801 -4.188 -2.418 1.00 0.00 C ATOM 23 O ALA A 2 -1.604 -3.695 -1.618 1.00 0.00 O ATOM 24 CB ALA A 2 1.164 -5.180 -1.233 1.00 0.00 C ATOM 0 H ALA A 2 0.080 -2.361 -1.189 1.00 0.00 H new ATOM 0 HA ALA A 2 1.270 -4.178 -3.105 1.00 0.00 H new ATOM 0 HB1 ALA A 2 0.982 -6.151 -1.694 1.00 0.00 H new ATOM 0 HB2 ALA A 2 2.230 -5.068 -1.033 1.00 0.00 H new ATOM 0 HB3 ALA A 2 0.610 -5.113 -0.297 1.00 0.00 H new ATOM 30 N ILE A 3 -1.177 -4.851 -3.508 1.00 0.00 N ATOM 31 CA ILE A 3 -2.569 -5.050 -3.876 1.00 0.00 C ATOM 32 C ILE A 3 -3.131 -6.152 -2.973 1.00 0.00 C ATOM 33 O ILE A 3 -2.470 -7.164 -2.714 1.00 0.00 O ATOM 34 CB ILE A 3 -2.645 -5.357 -5.388 1.00 0.00 C ATOM 35 CG1 ILE A 3 -2.124 -4.117 -6.158 1.00 0.00 C ATOM 36 CG2 ILE A 3 -4.075 -5.727 -5.823 1.00 0.00 C ATOM 37 CD1 ILE A 3 -2.020 -4.301 -7.668 1.00 0.00 C ATOM 0 H ILE A 3 -0.516 -5.267 -4.164 1.00 0.00 H new ATOM 0 HA ILE A 3 -3.184 -4.163 -3.722 1.00 0.00 H new ATOM 0 HB ILE A 3 -2.024 -6.224 -5.616 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -2.785 -3.275 -5.953 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -1.141 -3.852 -5.770 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.087 -5.936 -6.893 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -4.404 -6.611 -5.277 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -4.747 -4.896 -5.608 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -1.647 -3.383 -8.122 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -1.334 -5.119 -7.888 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -3.004 -4.533 -8.075 1.00 0.00 H new ATOM 49 N VAL A 4 -4.355 -5.948 -2.501 1.00 0.00 N ATOM 50 CA VAL A 4 -5.045 -6.810 -1.549 1.00 0.00 C ATOM 51 C VAL A 4 -5.986 -7.721 -2.349 1.00 0.00 C ATOM 52 O VAL A 4 -6.234 -7.495 -3.535 1.00 0.00 O ATOM 53 CB VAL A 4 -5.758 -5.916 -0.501 1.00 0.00 C ATOM 54 CG1 VAL A 4 -6.415 -6.700 0.647 1.00 0.00 C ATOM 55 CG2 VAL A 4 -4.780 -4.909 0.137 1.00 0.00 C ATOM 0 H VAL A 4 -4.917 -5.145 -2.783 1.00 0.00 H new ATOM 0 HA VAL A 4 -4.370 -7.456 -0.988 1.00 0.00 H new ATOM 0 HB VAL A 4 -6.538 -5.409 -1.068 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -6.892 -6.004 1.337 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -7.165 -7.380 0.241 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -5.655 -7.273 1.178 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -5.311 -4.298 0.867 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -3.974 -5.449 0.634 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -4.362 -4.267 -0.638 1.00 0.00 H new ATOM 65 N LYS A 5 -6.519 -8.767 -1.721 1.00 0.00 N ATOM 66 CA LYS A 5 -7.439 -9.719 -2.334 1.00 0.00 C ATOM 67 C LYS A 5 -8.533 -9.973 -1.307 1.00 0.00 C ATOM 68 O LYS A 5 -8.218 -10.126 -0.124 1.00 0.00 O ATOM 69 CB LYS A 5 -6.718 -11.033 -2.707 1.00 0.00 C ATOM 70 CG LYS A 5 -5.590 -10.872 -3.743 1.00 0.00 C ATOM 71 CD LYS A 5 -4.198 -10.617 -3.137 1.00 0.00 C ATOM 72 CE LYS A 5 -3.222 -10.194 -4.244 1.00 0.00 C ATOM 73 NZ LYS A 5 -1.906 -9.774 -3.702 1.00 0.00 N ATOM 0 H LYS A 5 -6.316 -8.980 -0.744 1.00 0.00 H new ATOM 0 HA LYS A 5 -7.851 -9.322 -3.262 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.302 -11.474 -1.801 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -7.453 -11.738 -3.096 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -5.546 -11.772 -4.356 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -5.840 -10.045 -4.408 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -4.259 -9.839 -2.376 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -3.835 -11.518 -2.643 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -3.080 -11.024 -4.937 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -3.656 -9.373 -4.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -1.200 -9.775 -4.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -1.984 -8.816 -3.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -1.610 -10.436 -2.956 1.00 0.00 H new ATOM 87 N ALA A 6 -9.795 -9.991 -1.733 1.00 0.00 N ATOM 88 CA ALA A 6 -10.931 -10.200 -0.840 1.00 0.00 C ATOM 89 C ALA A 6 -12.055 -10.950 -1.554 1.00 0.00 C ATOM 90 O ALA A 6 -12.018 -11.126 -2.775 1.00 0.00 O ATOM 91 CB ALA A 6 -11.432 -8.847 -0.315 1.00 0.00 C ATOM 0 H ALA A 6 -10.058 -9.861 -2.710 1.00 0.00 H new ATOM 0 HA ALA A 6 -10.607 -10.810 0.003 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -12.280 -9.007 0.351 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -10.630 -8.349 0.231 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -11.742 -8.223 -1.154 1.00 0.00 H new ATOM 97 N THR A 7 -13.064 -11.366 -0.790 1.00 0.00 N ATOM 98 CA THR A 7 -14.253 -12.049 -1.278 1.00 0.00 C ATOM 99 C THR A 7 -15.471 -11.460 -0.553 1.00 0.00 C ATOM 100 O THR A 7 -15.288 -10.665 0.371 1.00 0.00 O ATOM 101 CB THR A 7 -14.105 -13.571 -1.060 1.00 0.00 C ATOM 102 OG1 THR A 7 -13.893 -13.875 0.304 1.00 0.00 O ATOM 103 CG2 THR A 7 -12.935 -14.185 -1.836 1.00 0.00 C ATOM 0 H THR A 7 -13.073 -11.230 0.221 1.00 0.00 H new ATOM 0 HA THR A 7 -14.388 -11.900 -2.349 1.00 0.00 H new ATOM 0 HB THR A 7 -15.041 -13.994 -1.424 1.00 0.00 H new ATOM 0 HG1 THR A 7 -14.710 -14.261 0.684 1.00 0.00 H new ATOM 0 HG21 THR A 7 -12.889 -15.256 -1.638 1.00 0.00 H new ATOM 0 HG22 THR A 7 -13.080 -14.020 -2.904 1.00 0.00 H new ATOM 0 HG23 THR A 7 -12.003 -13.717 -1.520 1.00 0.00 H new ATOM 111 N ASP A 8 -16.701 -11.849 -0.908 1.00 0.00 N ATOM 112 CA ASP A 8 -17.949 -11.370 -0.282 1.00 0.00 C ATOM 113 C ASP A 8 -17.892 -11.365 1.252 1.00 0.00 C ATOM 114 O ASP A 8 -18.453 -10.482 1.903 1.00 0.00 O ATOM 115 CB ASP A 8 -19.135 -12.251 -0.706 1.00 0.00 C ATOM 116 CG ASP A 8 -20.451 -11.730 -0.102 1.00 0.00 C ATOM 117 OD1 ASP A 8 -20.943 -10.661 -0.530 1.00 0.00 O ATOM 118 OD2 ASP A 8 -21.008 -12.407 0.793 1.00 0.00 O ATOM 0 H ASP A 8 -16.865 -12.522 -1.657 1.00 0.00 H new ATOM 0 HA ASP A 8 -18.076 -10.343 -0.626 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -19.211 -12.267 -1.793 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -18.964 -13.278 -0.383 1.00 0.00 H new ATOM 123 N GLN A 9 -17.180 -12.342 1.817 1.00 0.00 N ATOM 124 CA GLN A 9 -17.006 -12.554 3.245 1.00 0.00 C ATOM 125 C GLN A 9 -16.298 -11.383 3.947 1.00 0.00 C ATOM 126 O GLN A 9 -16.603 -11.122 5.114 1.00 0.00 O ATOM 127 CB GLN A 9 -16.219 -13.861 3.465 1.00 0.00 C ATOM 128 CG GLN A 9 -16.986 -15.142 3.065 1.00 0.00 C ATOM 129 CD GLN A 9 -17.149 -15.349 1.555 1.00 0.00 C ATOM 130 OE1 GLN A 9 -16.331 -14.897 0.760 1.00 0.00 O ATOM 131 NE2 GLN A 9 -18.210 -16.005 1.110 1.00 0.00 N ATOM 0 H GLN A 9 -16.687 -13.038 1.258 1.00 0.00 H new ATOM 0 HA GLN A 9 -17.998 -12.623 3.691 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -15.292 -13.814 2.893 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -15.942 -13.931 4.517 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -16.466 -16.005 3.482 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -17.975 -15.114 3.522 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -18.891 -16.381 1.770 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -18.346 -16.134 0.107 1.00 0.00 H new ATOM 140 N SER A 10 -15.386 -10.676 3.264 1.00 0.00 N ATOM 141 CA SER A 10 -14.508 -9.683 3.899 1.00 0.00 C ATOM 142 C SER A 10 -14.290 -8.413 3.069 1.00 0.00 C ATOM 143 O SER A 10 -13.679 -7.463 3.559 1.00 0.00 O ATOM 144 CB SER A 10 -13.154 -10.335 4.230 1.00 0.00 C ATOM 145 OG SER A 10 -13.313 -11.557 4.940 1.00 0.00 O ATOM 0 H SER A 10 -15.237 -10.776 2.260 1.00 0.00 H new ATOM 0 HA SER A 10 -15.016 -9.359 4.807 1.00 0.00 H new ATOM 0 HB2 SER A 10 -12.605 -10.520 3.307 1.00 0.00 H new ATOM 0 HB3 SER A 10 -12.555 -9.645 4.824 1.00 0.00 H new ATOM 0 HG SER A 10 -12.432 -11.942 5.131 1.00 0.00 H new ATOM 151 N PHE A 11 -14.806 -8.354 1.839 1.00 0.00 N ATOM 152 CA PHE A 11 -14.699 -7.193 0.962 1.00 0.00 C ATOM 153 C PHE A 11 -15.252 -5.937 1.636 1.00 0.00 C ATOM 154 O PHE A 11 -14.700 -4.848 1.467 1.00 0.00 O ATOM 155 CB PHE A 11 -15.447 -7.502 -0.344 1.00 0.00 C ATOM 156 CG PHE A 11 -15.399 -6.389 -1.367 1.00 0.00 C ATOM 157 CD1 PHE A 11 -14.244 -6.221 -2.153 1.00 0.00 C ATOM 158 CD2 PHE A 11 -16.495 -5.522 -1.538 1.00 0.00 C ATOM 159 CE1 PHE A 11 -14.180 -5.188 -3.099 1.00 0.00 C ATOM 160 CE2 PHE A 11 -16.430 -4.489 -2.489 1.00 0.00 C ATOM 161 CZ PHE A 11 -15.274 -4.322 -3.268 1.00 0.00 C ATOM 0 H PHE A 11 -15.319 -9.129 1.420 1.00 0.00 H new ATOM 0 HA PHE A 11 -13.650 -6.993 0.744 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -15.025 -8.404 -0.786 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -16.489 -7.719 -0.109 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -13.405 -6.889 -2.027 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -17.385 -5.650 -0.939 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -13.290 -5.058 -3.697 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -17.270 -3.823 -2.621 1.00 0.00 H new ATOM 0 HZ PHE A 11 -15.225 -3.527 -3.998 1.00 0.00 H new ATOM 171 N SER A 12 -16.310 -6.079 2.436 1.00 0.00 N ATOM 172 CA SER A 12 -16.923 -4.987 3.168 1.00 0.00 C ATOM 173 C SER A 12 -15.954 -4.397 4.187 1.00 0.00 C ATOM 174 O SER A 12 -15.751 -3.183 4.222 1.00 0.00 O ATOM 175 CB SER A 12 -18.209 -5.506 3.825 1.00 0.00 C ATOM 176 OG SER A 12 -18.017 -6.814 4.354 1.00 0.00 O ATOM 0 H SER A 12 -16.768 -6.977 2.591 1.00 0.00 H new ATOM 0 HA SER A 12 -17.177 -4.175 2.486 1.00 0.00 H new ATOM 0 HB2 SER A 12 -18.514 -4.828 4.622 1.00 0.00 H new ATOM 0 HB3 SER A 12 -19.016 -5.520 3.093 1.00 0.00 H new ATOM 0 HG SER A 12 -18.849 -7.124 4.769 1.00 0.00 H new ATOM 182 N ALA A 13 -15.313 -5.252 4.984 1.00 0.00 N ATOM 183 CA ALA A 13 -14.328 -4.830 5.967 1.00 0.00 C ATOM 184 C ALA A 13 -13.162 -4.128 5.267 1.00 0.00 C ATOM 185 O ALA A 13 -12.728 -3.064 5.707 1.00 0.00 O ATOM 186 CB ALA A 13 -13.842 -6.036 6.778 1.00 0.00 C ATOM 0 H ALA A 13 -15.467 -6.260 4.962 1.00 0.00 H new ATOM 0 HA ALA A 13 -14.787 -4.123 6.658 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -13.105 -5.708 7.511 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -14.687 -6.493 7.293 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -13.388 -6.766 6.108 1.00 0.00 H new ATOM 192 N GLU A 14 -12.678 -4.696 4.158 1.00 0.00 N ATOM 193 CA GLU A 14 -11.535 -4.153 3.439 1.00 0.00 C ATOM 194 C GLU A 14 -11.849 -2.785 2.841 1.00 0.00 C ATOM 195 O GLU A 14 -10.997 -1.898 2.882 1.00 0.00 O ATOM 196 CB GLU A 14 -11.071 -5.124 2.342 1.00 0.00 C ATOM 197 CG GLU A 14 -10.349 -6.346 2.925 1.00 0.00 C ATOM 198 CD GLU A 14 -9.025 -6.023 3.648 1.00 0.00 C ATOM 199 OE1 GLU A 14 -8.458 -4.924 3.447 1.00 0.00 O ATOM 200 OE2 GLU A 14 -8.547 -6.876 4.430 1.00 0.00 O ATOM 0 H GLU A 14 -13.069 -5.540 3.740 1.00 0.00 H new ATOM 0 HA GLU A 14 -10.725 -4.026 4.158 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -11.933 -5.454 1.762 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -10.405 -4.603 1.654 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -11.017 -6.847 3.625 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -10.145 -7.051 2.119 1.00 0.00 H new ATOM 207 N THR A 15 -13.062 -2.581 2.327 1.00 0.00 N ATOM 208 CA THR A 15 -13.453 -1.321 1.712 1.00 0.00 C ATOM 209 C THR A 15 -13.789 -0.234 2.746 1.00 0.00 C ATOM 210 O THR A 15 -14.085 0.898 2.359 1.00 0.00 O ATOM 211 CB THR A 15 -14.565 -1.560 0.677 1.00 0.00 C ATOM 212 OG1 THR A 15 -15.622 -2.347 1.183 1.00 0.00 O ATOM 213 CG2 THR A 15 -14.004 -2.257 -0.570 1.00 0.00 C ATOM 0 H THR A 15 -13.798 -3.287 2.327 1.00 0.00 H new ATOM 0 HA THR A 15 -12.594 -0.920 1.173 1.00 0.00 H new ATOM 0 HB THR A 15 -14.956 -0.574 0.425 1.00 0.00 H new ATOM 0 HG1 THR A 15 -15.384 -3.295 1.118 1.00 0.00 H new ATOM 0 HG21 THR A 15 -14.807 -2.417 -1.290 1.00 0.00 H new ATOM 0 HG22 THR A 15 -13.232 -1.632 -1.020 1.00 0.00 H new ATOM 0 HG23 THR A 15 -13.574 -3.218 -0.287 1.00 0.00 H new ATOM 221 N SER A 16 -13.699 -0.532 4.049 1.00 0.00 N ATOM 222 CA SER A 16 -14.160 0.337 5.130 1.00 0.00 C ATOM 223 C SER A 16 -12.993 0.953 5.910 1.00 0.00 C ATOM 224 O SER A 16 -13.100 1.178 7.117 1.00 0.00 O ATOM 225 CB SER A 16 -15.147 -0.424 6.027 1.00 0.00 C ATOM 226 OG SER A 16 -16.282 -0.841 5.295 1.00 0.00 O ATOM 0 H SER A 16 -13.293 -1.406 4.384 1.00 0.00 H new ATOM 0 HA SER A 16 -14.693 1.183 4.696 1.00 0.00 H new ATOM 0 HB2 SER A 16 -14.652 -1.292 6.463 1.00 0.00 H new ATOM 0 HB3 SER A 16 -15.458 0.214 6.854 1.00 0.00 H new ATOM 0 HG SER A 16 -16.236 -1.808 5.143 1.00 0.00 H new ATOM 232 N GLU A 17 -11.873 1.226 5.229 1.00 0.00 N ATOM 233 CA GLU A 17 -10.660 1.748 5.870 1.00 0.00 C ATOM 234 C GLU A 17 -10.037 2.949 5.143 1.00 0.00 C ATOM 235 O GLU A 17 -9.034 3.489 5.615 1.00 0.00 O ATOM 236 CB GLU A 17 -9.620 0.622 6.021 1.00 0.00 C ATOM 237 CG GLU A 17 -10.106 -0.559 6.871 1.00 0.00 C ATOM 238 CD GLU A 17 -8.962 -1.533 7.199 1.00 0.00 C ATOM 239 OE1 GLU A 17 -8.219 -1.933 6.273 1.00 0.00 O ATOM 240 OE2 GLU A 17 -8.801 -1.912 8.382 1.00 0.00 O ATOM 0 H GLU A 17 -11.782 1.092 4.222 1.00 0.00 H new ATOM 0 HA GLU A 17 -10.967 2.115 6.849 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -9.347 0.257 5.031 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -8.716 1.033 6.470 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -10.543 -0.185 7.797 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -10.895 -1.090 6.338 1.00 0.00 H new ATOM 247 N GLY A 18 -10.592 3.388 4.009 1.00 0.00 N ATOM 248 CA GLY A 18 -9.978 4.431 3.197 1.00 0.00 C ATOM 249 C GLY A 18 -10.639 4.514 1.835 1.00 0.00 C ATOM 250 O GLY A 18 -11.727 3.963 1.655 1.00 0.00 O ATOM 0 H GLY A 18 -11.471 3.031 3.635 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -10.062 5.391 3.706 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -8.914 4.226 3.078 1.00 0.00 H new ATOM 254 N VAL A 19 -10.016 5.219 0.888 1.00 0.00 N ATOM 255 CA VAL A 19 -10.406 5.121 -0.515 1.00 0.00 C ATOM 256 C VAL A 19 -9.900 3.751 -0.959 1.00 0.00 C ATOM 257 O VAL A 19 -8.736 3.410 -0.719 1.00 0.00 O ATOM 258 CB VAL A 19 -9.809 6.274 -1.350 1.00 0.00 C ATOM 259 CG1 VAL A 19 -10.131 6.136 -2.849 1.00 0.00 C ATOM 260 CG2 VAL A 19 -10.378 7.620 -0.882 1.00 0.00 C ATOM 0 H VAL A 19 -9.243 5.860 1.069 1.00 0.00 H new ATOM 0 HA VAL A 19 -11.483 5.212 -0.657 1.00 0.00 H new ATOM 0 HB VAL A 19 -8.729 6.229 -1.207 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -9.690 6.970 -3.394 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -9.720 5.199 -3.225 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -11.212 6.141 -2.991 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -9.948 8.424 -1.479 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -11.461 7.618 -1.001 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -10.129 7.775 0.168 1.00 0.00 H new ATOM 270 N VAL A 20 -10.758 2.958 -1.591 1.00 0.00 N ATOM 271 CA VAL A 20 -10.447 1.598 -1.980 1.00 0.00 C ATOM 272 C VAL A 20 -10.933 1.413 -3.411 1.00 0.00 C ATOM 273 O VAL A 20 -12.125 1.529 -3.700 1.00 0.00 O ATOM 274 CB VAL A 20 -11.053 0.585 -0.984 1.00 0.00 C ATOM 275 CG1 VAL A 20 -10.593 -0.832 -1.344 1.00 0.00 C ATOM 276 CG2 VAL A 20 -10.651 0.894 0.471 1.00 0.00 C ATOM 0 H VAL A 20 -11.700 3.251 -1.849 1.00 0.00 H new ATOM 0 HA VAL A 20 -9.374 1.411 -1.949 1.00 0.00 H new ATOM 0 HB VAL A 20 -12.138 0.662 -1.057 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -11.022 -1.544 -0.639 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -10.924 -1.076 -2.354 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.505 -0.885 -1.296 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -11.099 0.157 1.137 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -9.566 0.855 0.565 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -11.003 1.889 0.742 1.00 0.00 H new ATOM 286 N LEU A 21 -9.989 1.153 -4.312 1.00 0.00 N ATOM 287 CA LEU A 21 -10.268 0.727 -5.670 1.00 0.00 C ATOM 288 C LEU A 21 -10.457 -0.786 -5.605 1.00 0.00 C ATOM 289 O LEU A 21 -9.708 -1.472 -4.907 1.00 0.00 O ATOM 290 CB LEU A 21 -9.055 1.090 -6.547 1.00 0.00 C ATOM 291 CG LEU A 21 -9.179 0.689 -8.025 1.00 0.00 C ATOM 292 CD1 LEU A 21 -10.287 1.471 -8.734 1.00 0.00 C ATOM 293 CD2 LEU A 21 -7.859 0.979 -8.737 1.00 0.00 C ATOM 0 H LEU A 21 -8.993 1.236 -4.110 1.00 0.00 H new ATOM 0 HA LEU A 21 -11.152 1.204 -6.093 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -8.894 2.167 -6.491 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -8.168 0.613 -6.130 1.00 0.00 H new ATOM 0 HG LEU A 21 -9.423 -0.373 -8.061 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -10.343 1.159 -9.777 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -11.241 1.275 -8.245 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -10.067 2.538 -8.686 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.942 0.696 -9.786 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.633 2.043 -8.665 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -7.059 0.405 -8.269 1.00 0.00 H new ATOM 305 N ALA A 22 -11.424 -1.321 -6.337 1.00 0.00 N ATOM 306 CA ALA A 22 -11.748 -2.734 -6.327 1.00 0.00 C ATOM 307 C ALA A 22 -11.885 -3.190 -7.769 1.00 0.00 C ATOM 308 O ALA A 22 -12.785 -2.752 -8.483 1.00 0.00 O ATOM 309 CB ALA A 22 -13.033 -2.957 -5.536 1.00 0.00 C ATOM 0 H ALA A 22 -12.013 -0.773 -6.964 1.00 0.00 H new ATOM 0 HA ALA A 22 -10.965 -3.317 -5.843 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -13.276 -4.020 -5.529 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -12.895 -2.609 -4.512 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -13.848 -2.402 -6.001 1.00 0.00 H new ATOM 315 N ASP A 23 -10.971 -4.051 -8.194 1.00 0.00 N ATOM 316 CA ASP A 23 -10.948 -4.627 -9.523 1.00 0.00 C ATOM 317 C ASP A 23 -11.713 -5.946 -9.476 1.00 0.00 C ATOM 318 O ASP A 23 -11.205 -6.977 -9.012 1.00 0.00 O ATOM 319 CB ASP A 23 -9.503 -4.792 -9.997 1.00 0.00 C ATOM 320 CG ASP A 23 -9.409 -5.525 -11.342 1.00 0.00 C ATOM 321 OD1 ASP A 23 -10.259 -5.282 -12.227 1.00 0.00 O ATOM 322 OD2 ASP A 23 -8.439 -6.299 -11.517 1.00 0.00 O ATOM 0 H ASP A 23 -10.205 -4.375 -7.604 1.00 0.00 H new ATOM 0 HA ASP A 23 -11.433 -3.974 -10.248 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.039 -3.810 -10.088 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -8.938 -5.343 -9.246 1.00 0.00 H new ATOM 327 N PHE A 24 -12.983 -5.865 -9.866 1.00 0.00 N ATOM 328 CA PHE A 24 -13.835 -7.010 -10.121 1.00 0.00 C ATOM 329 C PHE A 24 -13.338 -7.587 -11.441 1.00 0.00 C ATOM 330 O PHE A 24 -13.423 -6.916 -12.475 1.00 0.00 O ATOM 331 CB PHE A 24 -15.314 -6.589 -10.183 1.00 0.00 C ATOM 332 CG PHE A 24 -15.919 -6.285 -8.823 1.00 0.00 C ATOM 333 CD1 PHE A 24 -15.540 -5.126 -8.117 1.00 0.00 C ATOM 334 CD2 PHE A 24 -16.817 -7.191 -8.227 1.00 0.00 C ATOM 335 CE1 PHE A 24 -16.013 -4.910 -6.811 1.00 0.00 C ATOM 336 CE2 PHE A 24 -17.294 -6.970 -6.923 1.00 0.00 C ATOM 337 CZ PHE A 24 -16.876 -5.836 -6.209 1.00 0.00 C ATOM 0 H PHE A 24 -13.455 -4.973 -10.016 1.00 0.00 H new ATOM 0 HA PHE A 24 -13.784 -7.755 -9.327 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -15.405 -5.707 -10.817 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -15.889 -7.384 -10.658 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -14.885 -4.403 -8.580 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -17.142 -8.063 -8.776 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -15.710 -4.026 -6.269 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -17.980 -7.671 -6.472 1.00 0.00 H new ATOM 0 HZ PHE A 24 -17.219 -5.677 -5.197 1.00 0.00 H new ATOM 347 N TRP A 25 -12.791 -8.802 -11.406 1.00 0.00 N ATOM 348 CA TRP A 25 -12.065 -9.392 -12.528 1.00 0.00 C ATOM 349 C TRP A 25 -12.433 -10.863 -12.704 1.00 0.00 C ATOM 350 O TRP A 25 -13.188 -11.412 -11.900 1.00 0.00 O ATOM 351 CB TRP A 25 -10.553 -9.212 -12.312 1.00 0.00 C ATOM 352 CG TRP A 25 -9.904 -10.117 -11.307 1.00 0.00 C ATOM 353 CD1 TRP A 25 -10.111 -10.083 -9.975 1.00 0.00 C ATOM 354 CD2 TRP A 25 -8.939 -11.194 -11.525 1.00 0.00 C ATOM 355 NE1 TRP A 25 -9.388 -11.080 -9.357 1.00 0.00 N ATOM 356 CE2 TRP A 25 -8.627 -11.784 -10.263 1.00 0.00 C ATOM 357 CE3 TRP A 25 -8.280 -11.723 -12.658 1.00 0.00 C ATOM 358 CZ2 TRP A 25 -7.716 -12.842 -10.131 1.00 0.00 C ATOM 359 CZ3 TRP A 25 -7.355 -12.779 -12.534 1.00 0.00 C ATOM 360 CH2 TRP A 25 -7.081 -13.346 -11.277 1.00 0.00 C ATOM 0 H TRP A 25 -12.841 -9.410 -10.588 1.00 0.00 H new ATOM 0 HA TRP A 25 -12.349 -8.879 -13.447 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -10.053 -9.353 -13.270 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -10.373 -8.181 -12.008 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -10.751 -9.377 -9.466 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -9.413 -11.272 -8.356 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -8.489 -11.311 -13.634 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -7.506 -13.264 -9.159 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -6.852 -13.156 -13.412 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -6.384 -14.167 -11.193 1.00 0.00 H new ATOM 371 N ALA A 26 -11.899 -11.496 -13.751 1.00 0.00 N ATOM 372 CA ALA A 26 -11.936 -12.936 -13.958 1.00 0.00 C ATOM 373 C ALA A 26 -10.706 -13.302 -14.799 1.00 0.00 C ATOM 374 O ALA A 26 -10.328 -12.517 -15.674 1.00 0.00 O ATOM 375 CB ALA A 26 -13.221 -13.351 -14.683 1.00 0.00 C ATOM 0 H ALA A 26 -11.415 -11.000 -14.499 1.00 0.00 H new ATOM 0 HA ALA A 26 -11.924 -13.459 -13.002 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -13.225 -14.432 -14.826 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -14.086 -13.061 -14.086 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -13.267 -12.856 -15.653 1.00 0.00 H new ATOM 381 N PRO A 27 -10.079 -14.472 -14.587 1.00 0.00 N ATOM 382 CA PRO A 27 -8.790 -14.790 -15.193 1.00 0.00 C ATOM 383 C PRO A 27 -8.876 -15.060 -16.698 1.00 0.00 C ATOM 384 O PRO A 27 -7.878 -14.902 -17.400 1.00 0.00 O ATOM 385 CB PRO A 27 -8.273 -16.010 -14.421 1.00 0.00 C ATOM 386 CG PRO A 27 -9.546 -16.693 -13.924 1.00 0.00 C ATOM 387 CD PRO A 27 -10.501 -15.527 -13.680 1.00 0.00 C ATOM 0 HA PRO A 27 -8.111 -13.940 -15.121 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -7.689 -16.671 -15.062 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -7.628 -15.716 -13.593 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -9.943 -17.390 -14.663 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -9.367 -17.263 -13.012 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -11.533 -15.820 -13.874 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -10.454 -15.193 -12.643 1.00 0.00 H new ATOM 395 N TRP A 28 -10.047 -15.449 -17.212 1.00 0.00 N ATOM 396 CA TRP A 28 -10.244 -15.725 -18.630 1.00 0.00 C ATOM 397 C TRP A 28 -10.461 -14.448 -19.457 1.00 0.00 C ATOM 398 O TRP A 28 -10.501 -14.524 -20.686 1.00 0.00 O ATOM 399 CB TRP A 28 -11.400 -16.730 -18.786 1.00 0.00 C ATOM 400 CG TRP A 28 -12.643 -16.518 -17.963 1.00 0.00 C ATOM 401 CD1 TRP A 28 -13.270 -15.341 -17.734 1.00 0.00 C ATOM 402 CD2 TRP A 28 -13.434 -17.522 -17.252 1.00 0.00 C ATOM 403 NE1 TRP A 28 -14.396 -15.550 -16.964 1.00 0.00 N ATOM 404 CE2 TRP A 28 -14.539 -16.875 -16.621 1.00 0.00 C ATOM 405 CE3 TRP A 28 -13.328 -18.920 -17.074 1.00 0.00 C ATOM 406 CZ2 TRP A 28 -15.483 -17.574 -15.853 1.00 0.00 C ATOM 407 CZ3 TRP A 28 -14.270 -19.633 -16.307 1.00 0.00 C ATOM 408 CH2 TRP A 28 -15.346 -18.964 -15.697 1.00 0.00 C ATOM 0 H TRP A 28 -10.887 -15.581 -16.649 1.00 0.00 H new ATOM 0 HA TRP A 28 -9.332 -16.168 -19.031 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -11.693 -16.740 -19.836 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -11.012 -17.722 -18.554 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -12.938 -14.380 -18.100 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -15.043 -14.813 -16.684 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -12.509 -19.452 -17.535 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -16.305 -17.050 -15.388 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -14.165 -20.701 -16.187 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -16.065 -19.517 -15.110 1.00 0.00 H new ATOM 419 N CYS A 29 -10.615 -13.282 -18.817 1.00 0.00 N ATOM 420 CA CYS A 29 -10.875 -12.027 -19.507 1.00 0.00 C ATOM 421 C CYS A 29 -9.529 -11.355 -19.794 1.00 0.00 C ATOM 422 O CYS A 29 -8.860 -10.896 -18.868 1.00 0.00 O ATOM 423 CB CYS A 29 -11.801 -11.163 -18.640 1.00 0.00 C ATOM 424 SG CYS A 29 -12.202 -9.617 -19.505 1.00 0.00 S ATOM 0 H CYS A 29 -10.561 -13.190 -17.803 1.00 0.00 H new ATOM 0 HA CYS A 29 -11.383 -12.183 -20.459 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -12.716 -11.710 -18.414 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -11.319 -10.942 -17.688 1.00 0.00 H new ATOM 0 HG CYS A 29 -13.253 -9.077 -18.964 1.00 0.00 H new ATOM 430 N GLY A 30 -9.133 -11.293 -21.069 1.00 0.00 N ATOM 431 CA GLY A 30 -7.887 -10.670 -21.512 1.00 0.00 C ATOM 432 C GLY A 30 -7.681 -9.263 -20.938 1.00 0.00 C ATOM 433 O GLY A 30 -6.658 -9.031 -20.297 1.00 0.00 O ATOM 0 H GLY A 30 -9.682 -11.683 -21.835 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -7.048 -11.302 -21.220 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -7.882 -10.616 -22.601 1.00 0.00 H new ATOM 437 N PRO A 31 -8.631 -8.322 -21.089 1.00 0.00 N ATOM 438 CA PRO A 31 -8.542 -6.992 -20.492 1.00 0.00 C ATOM 439 C PRO A 31 -8.245 -6.966 -18.982 1.00 0.00 C ATOM 440 O PRO A 31 -7.541 -6.062 -18.532 1.00 0.00 O ATOM 441 CB PRO A 31 -9.863 -6.307 -20.842 1.00 0.00 C ATOM 442 CG PRO A 31 -10.230 -6.937 -22.183 1.00 0.00 C ATOM 443 CD PRO A 31 -9.742 -8.377 -22.031 1.00 0.00 C ATOM 0 HA PRO A 31 -7.678 -6.466 -20.897 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -10.626 -6.492 -20.086 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -9.749 -5.226 -20.921 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -11.303 -6.892 -22.370 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -9.740 -6.430 -23.015 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -10.538 -9.023 -21.660 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -9.422 -8.785 -22.990 1.00 0.00 H new ATOM 451 N CYS A 32 -8.707 -7.948 -18.192 1.00 0.00 N ATOM 452 CA CYS A 32 -8.337 -8.042 -16.776 1.00 0.00 C ATOM 453 C CYS A 32 -6.827 -8.260 -16.604 1.00 0.00 C ATOM 454 O CYS A 32 -6.233 -7.729 -15.666 1.00 0.00 O ATOM 455 CB CYS A 32 -9.089 -9.176 -16.064 1.00 0.00 C ATOM 456 SG CYS A 32 -10.876 -8.863 -16.011 1.00 0.00 S ATOM 0 H CYS A 32 -9.336 -8.685 -18.511 1.00 0.00 H new ATOM 0 HA CYS A 32 -8.618 -7.092 -16.322 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -8.899 -10.118 -16.578 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -8.708 -9.285 -15.049 1.00 0.00 H new ATOM 0 HG CYS A 32 -11.365 -8.935 -17.213 1.00 0.00 H new ATOM 462 N LYS A 33 -6.186 -9.013 -17.504 1.00 0.00 N ATOM 463 CA LYS A 33 -4.730 -9.154 -17.506 1.00 0.00 C ATOM 464 C LYS A 33 -4.089 -7.846 -17.961 1.00 0.00 C ATOM 465 O LYS A 33 -3.106 -7.418 -17.365 1.00 0.00 O ATOM 466 CB LYS A 33 -4.278 -10.314 -18.413 1.00 0.00 C ATOM 467 CG LYS A 33 -4.924 -11.657 -18.036 1.00 0.00 C ATOM 468 CD LYS A 33 -4.388 -12.788 -18.924 1.00 0.00 C ATOM 469 CE LYS A 33 -5.067 -14.112 -18.548 1.00 0.00 C ATOM 470 NZ LYS A 33 -4.579 -15.250 -19.364 1.00 0.00 N ATOM 0 H LYS A 33 -6.657 -9.535 -18.243 1.00 0.00 H new ATOM 0 HA LYS A 33 -4.407 -9.384 -16.491 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.524 -10.076 -19.448 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.194 -10.410 -18.358 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.720 -11.883 -16.989 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -6.007 -11.587 -18.142 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -4.575 -12.558 -19.973 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.308 -12.876 -18.804 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.888 -14.322 -17.493 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.145 -14.013 -18.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -5.067 -16.121 -19.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -4.772 -15.065 -20.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -3.555 -15.364 -19.224 1.00 0.00 H new ATOM 484 N MET A 34 -4.650 -7.181 -18.976 1.00 0.00 N ATOM 485 CA MET A 34 -4.074 -5.952 -19.528 1.00 0.00 C ATOM 486 C MET A 34 -4.075 -4.817 -18.505 1.00 0.00 C ATOM 487 O MET A 34 -3.141 -4.017 -18.489 1.00 0.00 O ATOM 488 CB MET A 34 -4.819 -5.506 -20.796 1.00 0.00 C ATOM 489 CG MET A 34 -4.769 -6.556 -21.910 1.00 0.00 C ATOM 490 SD MET A 34 -3.112 -6.911 -22.560 1.00 0.00 S ATOM 491 CE MET A 34 -3.534 -8.228 -23.733 1.00 0.00 C ATOM 0 H MET A 34 -5.511 -7.478 -19.435 1.00 0.00 H new ATOM 0 HA MET A 34 -3.040 -6.181 -19.788 1.00 0.00 H new ATOM 0 HB2 MET A 34 -5.859 -5.296 -20.547 1.00 0.00 H new ATOM 0 HB3 MET A 34 -4.384 -4.575 -21.160 1.00 0.00 H new ATOM 0 HG2 MET A 34 -5.201 -7.483 -21.534 1.00 0.00 H new ATOM 0 HG3 MET A 34 -5.401 -6.221 -22.733 1.00 0.00 H new ATOM 0 HE1 MET A 34 -2.629 -8.574 -24.233 1.00 0.00 H new ATOM 0 HE2 MET A 34 -3.993 -9.059 -23.197 1.00 0.00 H new ATOM 0 HE3 MET A 34 -4.234 -7.844 -24.475 1.00 0.00 H new ATOM 501 N ILE A 35 -5.093 -4.736 -17.641 1.00 0.00 N ATOM 502 CA ILE A 35 -5.162 -3.698 -16.614 1.00 0.00 C ATOM 503 C ILE A 35 -4.323 -4.065 -15.376 1.00 0.00 C ATOM 504 O ILE A 35 -4.097 -3.208 -14.524 1.00 0.00 O ATOM 505 CB ILE A 35 -6.643 -3.351 -16.318 1.00 0.00 C ATOM 506 CG1 ILE A 35 -6.767 -1.907 -15.785 1.00 0.00 C ATOM 507 CG2 ILE A 35 -7.329 -4.376 -15.403 1.00 0.00 C ATOM 508 CD1 ILE A 35 -8.217 -1.437 -15.632 1.00 0.00 C ATOM 0 H ILE A 35 -5.883 -5.382 -17.635 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.702 -2.782 -16.984 1.00 0.00 H new ATOM 0 HB ILE A 35 -7.183 -3.406 -17.263 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -6.267 -1.840 -14.819 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -6.244 -1.232 -16.462 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -8.363 -4.077 -15.233 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -7.308 -5.358 -15.876 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -6.803 -4.422 -14.449 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.230 -0.415 -15.254 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.715 -1.472 -16.601 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -8.739 -2.090 -14.932 1.00 0.00 H new ATOM 520 N ALA A 36 -3.821 -5.302 -15.257 1.00 0.00 N ATOM 521 CA ALA A 36 -2.992 -5.694 -14.117 1.00 0.00 C ATOM 522 C ALA A 36 -1.745 -4.800 -13.954 1.00 0.00 C ATOM 523 O ALA A 36 -1.562 -4.271 -12.856 1.00 0.00 O ATOM 524 CB ALA A 36 -2.641 -7.185 -14.171 1.00 0.00 C ATOM 0 H ALA A 36 -3.977 -6.045 -15.938 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.588 -5.535 -13.219 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.025 -7.445 -13.311 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.557 -7.775 -14.153 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -2.091 -7.396 -15.088 1.00 0.00 H new ATOM 530 N PRO A 37 -0.918 -4.539 -14.990 1.00 0.00 N ATOM 531 CA PRO A 37 0.217 -3.636 -14.837 1.00 0.00 C ATOM 532 C PRO A 37 -0.216 -2.193 -14.558 1.00 0.00 C ATOM 533 O PRO A 37 0.484 -1.502 -13.822 1.00 0.00 O ATOM 534 CB PRO A 37 1.046 -3.760 -16.119 1.00 0.00 C ATOM 535 CG PRO A 37 0.050 -4.292 -17.146 1.00 0.00 C ATOM 536 CD PRO A 37 -0.870 -5.168 -16.302 1.00 0.00 C ATOM 0 HA PRO A 37 0.812 -3.913 -13.967 1.00 0.00 H new ATOM 0 HB2 PRO A 37 1.459 -2.798 -16.423 1.00 0.00 H new ATOM 0 HB3 PRO A 37 1.887 -4.441 -15.987 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -0.496 -3.486 -17.635 1.00 0.00 H new ATOM 0 HG3 PRO A 37 0.545 -4.864 -17.931 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -1.865 -5.230 -16.743 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -0.487 -6.186 -16.234 1.00 0.00 H new ATOM 544 N VAL A 38 -1.365 -1.734 -15.072 1.00 0.00 N ATOM 545 CA VAL A 38 -1.910 -0.423 -14.720 1.00 0.00 C ATOM 546 C VAL A 38 -2.158 -0.357 -13.208 1.00 0.00 C ATOM 547 O VAL A 38 -1.788 0.627 -12.568 1.00 0.00 O ATOM 548 CB VAL A 38 -3.177 -0.129 -15.559 1.00 0.00 C ATOM 549 CG1 VAL A 38 -4.031 1.009 -14.986 1.00 0.00 C ATOM 550 CG2 VAL A 38 -2.790 0.200 -17.008 1.00 0.00 C ATOM 0 H VAL A 38 -1.935 -2.257 -15.736 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.192 0.361 -14.960 1.00 0.00 H new ATOM 0 HB VAL A 38 -3.784 -1.034 -15.526 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -4.903 1.164 -15.621 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -4.357 0.748 -13.979 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -3.441 1.925 -14.950 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.690 0.405 -17.587 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.142 1.077 -17.022 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.262 -0.648 -17.445 1.00 0.00 H new ATOM 560 N LEU A 39 -2.750 -1.400 -12.622 1.00 0.00 N ATOM 561 CA LEU A 39 -3.024 -1.444 -11.193 1.00 0.00 C ATOM 562 C LEU A 39 -1.722 -1.516 -10.396 1.00 0.00 C ATOM 563 O LEU A 39 -1.633 -0.887 -9.348 1.00 0.00 O ATOM 564 CB LEU A 39 -3.951 -2.622 -10.856 1.00 0.00 C ATOM 565 CG LEU A 39 -5.376 -2.458 -11.423 1.00 0.00 C ATOM 566 CD1 LEU A 39 -6.127 -3.788 -11.349 1.00 0.00 C ATOM 567 CD2 LEU A 39 -6.179 -1.389 -10.675 1.00 0.00 C ATOM 0 H LEU A 39 -3.050 -2.233 -13.127 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.537 -0.524 -10.910 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.515 -3.542 -11.247 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.009 -2.732 -9.773 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.271 -2.139 -12.460 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -7.132 -3.661 -11.752 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.595 -4.539 -11.932 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -6.191 -4.113 -10.310 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.175 -1.311 -11.111 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.264 -1.666 -9.624 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.671 -0.428 -10.757 1.00 0.00 H new ATOM 579 N GLU A 40 -0.698 -2.229 -10.876 1.00 0.00 N ATOM 580 CA GLU A 40 0.601 -2.271 -10.207 1.00 0.00 C ATOM 581 C GLU A 40 1.312 -0.914 -10.276 1.00 0.00 C ATOM 582 O GLU A 40 1.952 -0.497 -9.306 1.00 0.00 O ATOM 583 CB GLU A 40 1.485 -3.380 -10.796 1.00 0.00 C ATOM 584 CG GLU A 40 0.989 -4.780 -10.405 1.00 0.00 C ATOM 585 CD GLU A 40 1.920 -5.880 -10.945 1.00 0.00 C ATOM 586 OE1 GLU A 40 2.895 -6.250 -10.250 1.00 0.00 O ATOM 587 OE2 GLU A 40 1.682 -6.402 -12.058 1.00 0.00 O ATOM 0 H GLU A 40 -0.747 -2.786 -11.729 1.00 0.00 H new ATOM 0 HA GLU A 40 0.422 -2.498 -9.156 1.00 0.00 H new ATOM 0 HB2 GLU A 40 1.502 -3.292 -11.882 1.00 0.00 H new ATOM 0 HB3 GLU A 40 2.510 -3.249 -10.450 1.00 0.00 H new ATOM 0 HG2 GLU A 40 0.927 -4.855 -9.319 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -0.018 -4.932 -10.793 1.00 0.00 H new ATOM 594 N GLU A 41 1.200 -0.195 -11.395 1.00 0.00 N ATOM 595 CA GLU A 41 1.708 1.164 -11.523 1.00 0.00 C ATOM 596 C GLU A 41 0.966 2.099 -10.572 1.00 0.00 C ATOM 597 O GLU A 41 1.573 2.994 -9.988 1.00 0.00 O ATOM 598 CB GLU A 41 1.589 1.675 -12.965 1.00 0.00 C ATOM 599 CG GLU A 41 2.693 1.109 -13.869 1.00 0.00 C ATOM 600 CD GLU A 41 2.606 1.684 -15.295 1.00 0.00 C ATOM 601 OE1 GLU A 41 1.878 1.125 -16.147 1.00 0.00 O ATOM 602 OE2 GLU A 41 3.292 2.690 -15.587 1.00 0.00 O ATOM 0 H GLU A 41 0.751 -0.546 -12.241 1.00 0.00 H new ATOM 0 HA GLU A 41 2.765 1.149 -11.258 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.614 1.400 -13.368 1.00 0.00 H new ATOM 0 HB3 GLU A 41 1.640 2.764 -12.969 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.669 1.340 -13.441 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.611 0.023 -13.908 1.00 0.00 H new ATOM 609 N LEU A 42 -0.336 1.894 -10.382 1.00 0.00 N ATOM 610 CA LEU A 42 -1.103 2.717 -9.473 1.00 0.00 C ATOM 611 C LEU A 42 -0.749 2.388 -8.022 1.00 0.00 C ATOM 612 O LEU A 42 -0.637 3.294 -7.201 1.00 0.00 O ATOM 613 CB LEU A 42 -2.602 2.505 -9.728 1.00 0.00 C ATOM 614 CG LEU A 42 -3.460 3.619 -9.106 1.00 0.00 C ATOM 615 CD1 LEU A 42 -3.438 4.879 -9.982 1.00 0.00 C ATOM 616 CD2 LEU A 42 -4.897 3.119 -8.961 1.00 0.00 C ATOM 0 H LEU A 42 -0.874 1.164 -10.849 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.859 3.765 -9.648 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.784 2.465 -10.802 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.906 1.542 -9.317 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.052 3.875 -8.128 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.052 5.653 -9.522 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.413 5.238 -10.078 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.833 4.642 -10.970 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.512 3.903 -8.520 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.292 2.856 -9.943 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.913 2.240 -8.316 1.00 0.00 H new ATOM 628 N ASP A 43 -0.536 1.113 -7.692 1.00 0.00 N ATOM 629 CA ASP A 43 -0.211 0.670 -6.344 1.00 0.00 C ATOM 630 C ASP A 43 1.144 1.222 -5.923 1.00 0.00 C ATOM 631 O ASP A 43 1.293 1.729 -4.815 1.00 0.00 O ATOM 632 CB ASP A 43 -0.182 -0.858 -6.272 1.00 0.00 C ATOM 633 CG ASP A 43 0.331 -1.326 -4.904 1.00 0.00 C ATOM 634 OD1 ASP A 43 -0.396 -1.159 -3.901 1.00 0.00 O ATOM 635 OD2 ASP A 43 1.453 -1.875 -4.845 1.00 0.00 O ATOM 0 H ASP A 43 -0.586 0.351 -8.368 1.00 0.00 H new ATOM 0 HA ASP A 43 -0.981 1.042 -5.668 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -1.182 -1.254 -6.446 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.459 -1.252 -7.061 1.00 0.00 H new ATOM 640 N GLN A 44 2.128 1.187 -6.820 1.00 0.00 N ATOM 641 CA GLN A 44 3.476 1.623 -6.488 1.00 0.00 C ATOM 642 C GLN A 44 3.595 3.150 -6.384 1.00 0.00 C ATOM 643 O GLN A 44 4.591 3.665 -5.875 1.00 0.00 O ATOM 644 CB GLN A 44 4.443 0.989 -7.484 1.00 0.00 C ATOM 645 CG GLN A 44 4.587 1.693 -8.837 1.00 0.00 C ATOM 646 CD GLN A 44 5.333 0.812 -9.839 1.00 0.00 C ATOM 647 OE1 GLN A 44 6.465 1.093 -10.225 1.00 0.00 O ATOM 648 NE2 GLN A 44 4.716 -0.278 -10.272 1.00 0.00 N ATOM 0 H GLN A 44 2.014 0.861 -7.780 1.00 0.00 H new ATOM 0 HA GLN A 44 3.741 1.279 -5.488 1.00 0.00 H new ATOM 0 HB2 GLN A 44 5.428 0.938 -7.019 1.00 0.00 H new ATOM 0 HB3 GLN A 44 4.123 -0.037 -7.665 1.00 0.00 H new ATOM 0 HG2 GLN A 44 3.600 1.940 -9.229 1.00 0.00 H new ATOM 0 HG3 GLN A 44 5.122 2.634 -8.706 1.00 0.00 H new ATOM 0 HE21 GLN A 44 3.776 -0.497 -9.942 1.00 0.00 H new ATOM 0 HE22 GLN A 44 5.181 -0.898 -10.935 1.00 0.00 H new ATOM 657 N GLU A 45 2.580 3.867 -6.868 1.00 0.00 N ATOM 658 CA GLU A 45 2.512 5.326 -6.845 1.00 0.00 C ATOM 659 C GLU A 45 1.569 5.867 -5.761 1.00 0.00 C ATOM 660 O GLU A 45 1.847 6.927 -5.198 1.00 0.00 O ATOM 661 CB GLU A 45 2.068 5.835 -8.222 1.00 0.00 C ATOM 662 CG GLU A 45 3.198 5.707 -9.256 1.00 0.00 C ATOM 663 CD GLU A 45 2.818 6.231 -10.651 1.00 0.00 C ATOM 664 OE1 GLU A 45 1.950 7.124 -10.777 1.00 0.00 O ATOM 665 OE2 GLU A 45 3.436 5.798 -11.651 1.00 0.00 O ATOM 0 H GLU A 45 1.762 3.436 -7.298 1.00 0.00 H new ATOM 0 HA GLU A 45 3.510 5.692 -6.603 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.199 5.270 -8.558 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.759 6.878 -8.145 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.071 6.253 -8.897 1.00 0.00 H new ATOM 0 HG3 GLU A 45 3.488 4.659 -9.337 1.00 0.00 H new ATOM 672 N MET A 46 0.473 5.165 -5.449 1.00 0.00 N ATOM 673 CA MET A 46 -0.610 5.670 -4.600 1.00 0.00 C ATOM 674 C MET A 46 -1.125 4.627 -3.601 1.00 0.00 C ATOM 675 O MET A 46 -2.018 4.963 -2.824 1.00 0.00 O ATOM 676 CB MET A 46 -1.790 6.151 -5.469 1.00 0.00 C ATOM 677 CG MET A 46 -1.521 7.417 -6.283 1.00 0.00 C ATOM 678 SD MET A 46 -3.015 8.019 -7.125 1.00 0.00 S ATOM 679 CE MET A 46 -2.494 9.701 -7.554 1.00 0.00 C ATOM 0 H MET A 46 0.312 4.215 -5.785 1.00 0.00 H new ATOM 0 HA MET A 46 -0.189 6.498 -4.030 1.00 0.00 H new ATOM 0 HB2 MET A 46 -2.068 5.349 -6.154 1.00 0.00 H new ATOM 0 HB3 MET A 46 -2.649 6.329 -4.822 1.00 0.00 H new ATOM 0 HG2 MET A 46 -1.138 8.196 -5.624 1.00 0.00 H new ATOM 0 HG3 MET A 46 -0.746 7.214 -7.022 1.00 0.00 H new ATOM 0 HE1 MET A 46 -3.302 10.209 -8.079 1.00 0.00 H new ATOM 0 HE2 MET A 46 -2.251 10.250 -6.644 1.00 0.00 H new ATOM 0 HE3 MET A 46 -1.615 9.657 -8.197 1.00 0.00 H new ATOM 689 N GLY A 47 -0.590 3.401 -3.579 1.00 0.00 N ATOM 690 CA GLY A 47 -1.063 2.248 -2.798 1.00 0.00 C ATOM 691 C GLY A 47 -0.802 2.345 -1.291 1.00 0.00 C ATOM 692 O GLY A 47 -0.336 1.393 -0.665 1.00 0.00 O ATOM 0 H GLY A 47 0.232 3.172 -4.137 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.134 2.131 -2.961 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -0.583 1.347 -3.179 1.00 0.00 H new ATOM 696 N ASP A 48 -1.057 3.516 -0.725 1.00 0.00 N ATOM 697 CA ASP A 48 -1.098 3.846 0.690 1.00 0.00 C ATOM 698 C ASP A 48 -2.123 4.970 0.879 1.00 0.00 C ATOM 699 O ASP A 48 -2.929 4.934 1.808 1.00 0.00 O ATOM 700 CB ASP A 48 0.278 4.319 1.166 1.00 0.00 C ATOM 701 CG ASP A 48 0.211 4.796 2.625 1.00 0.00 C ATOM 702 OD1 ASP A 48 0.128 3.946 3.540 1.00 0.00 O ATOM 703 OD2 ASP A 48 0.261 6.022 2.867 1.00 0.00 O ATOM 0 H ASP A 48 -1.259 4.334 -1.300 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.377 2.967 1.271 1.00 0.00 H new ATOM 0 HB2 ASP A 48 0.999 3.506 1.076 1.00 0.00 H new ATOM 0 HB3 ASP A 48 0.630 5.130 0.528 1.00 0.00 H new ATOM 708 N LYS A 49 -2.144 5.931 -0.059 1.00 0.00 N ATOM 709 CA LYS A 49 -3.180 6.954 -0.176 1.00 0.00 C ATOM 710 C LYS A 49 -4.533 6.309 -0.487 1.00 0.00 C ATOM 711 O LYS A 49 -5.557 6.773 0.015 1.00 0.00 O ATOM 712 CB LYS A 49 -2.795 7.986 -1.254 1.00 0.00 C ATOM 713 CG LYS A 49 -1.445 8.669 -0.955 1.00 0.00 C ATOM 714 CD LYS A 49 -1.042 9.729 -1.992 1.00 0.00 C ATOM 715 CE LYS A 49 -1.931 10.979 -1.914 1.00 0.00 C ATOM 716 NZ LYS A 49 -1.463 12.060 -2.818 1.00 0.00 N ATOM 0 H LYS A 49 -1.420 6.015 -0.772 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.267 7.477 0.776 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.743 7.492 -2.224 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -3.575 8.744 -1.324 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.495 9.137 0.028 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.666 7.908 -0.906 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.002 10.014 -1.834 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -1.106 9.300 -2.992 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -2.955 10.710 -2.172 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -1.947 11.347 -0.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -2.093 12.883 -2.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -0.495 12.336 -2.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -1.472 11.719 -3.801 1.00 0.00 H new ATOM 730 N LEU A 50 -4.536 5.222 -1.264 1.00 0.00 N ATOM 731 CA LEU A 50 -5.669 4.341 -1.485 1.00 0.00 C ATOM 732 C LEU A 50 -5.226 2.887 -1.331 1.00 0.00 C ATOM 733 O LEU A 50 -4.035 2.582 -1.393 1.00 0.00 O ATOM 734 CB LEU A 50 -6.348 4.623 -2.843 1.00 0.00 C ATOM 735 CG LEU A 50 -6.005 3.699 -4.041 1.00 0.00 C ATOM 736 CD1 LEU A 50 -7.089 3.835 -5.108 1.00 0.00 C ATOM 737 CD2 LEU A 50 -4.638 3.998 -4.651 1.00 0.00 C ATOM 0 H LEU A 50 -3.706 4.925 -1.777 1.00 0.00 H new ATOM 0 HA LEU A 50 -6.430 4.537 -0.729 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -7.427 4.583 -2.690 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -6.104 5.646 -3.131 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.964 2.678 -3.663 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -6.852 3.187 -5.952 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -8.052 3.545 -4.687 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.138 4.870 -5.447 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.455 3.319 -5.484 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -4.617 5.027 -5.010 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.865 3.861 -3.895 1.00 0.00 H new ATOM 749 N LYS A 51 -6.196 1.987 -1.184 1.00 0.00 N ATOM 750 CA LYS A 51 -6.000 0.539 -1.234 1.00 0.00 C ATOM 751 C LYS A 51 -6.491 0.048 -2.600 1.00 0.00 C ATOM 752 O LYS A 51 -7.420 0.639 -3.153 1.00 0.00 O ATOM 753 CB LYS A 51 -6.801 -0.063 -0.068 1.00 0.00 C ATOM 754 CG LYS A 51 -6.648 -1.580 0.118 1.00 0.00 C ATOM 755 CD LYS A 51 -7.623 -2.132 1.170 1.00 0.00 C ATOM 756 CE LYS A 51 -7.413 -1.535 2.571 1.00 0.00 C ATOM 757 NZ LYS A 51 -8.297 -2.194 3.554 1.00 0.00 N ATOM 0 H LYS A 51 -7.168 2.252 -1.022 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.957 0.241 -1.128 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -6.497 0.432 0.854 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.857 0.164 -0.218 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -6.820 -2.081 -0.834 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.625 -1.807 0.417 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -8.645 -1.932 0.848 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -7.512 -3.215 1.224 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -6.372 -1.656 2.871 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -7.617 -0.464 2.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -8.082 -1.838 4.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -9.289 -1.986 3.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -8.143 -3.222 3.525 1.00 0.00 H new ATOM 771 N ILE A 52 -5.931 -1.044 -3.122 1.00 0.00 N ATOM 772 CA ILE A 52 -6.448 -1.731 -4.306 1.00 0.00 C ATOM 773 C ILE A 52 -6.802 -3.137 -3.833 1.00 0.00 C ATOM 774 O ILE A 52 -6.011 -3.741 -3.109 1.00 0.00 O ATOM 775 CB ILE A 52 -5.423 -1.736 -5.470 1.00 0.00 C ATOM 776 CG1 ILE A 52 -4.950 -0.294 -5.786 1.00 0.00 C ATOM 777 CG2 ILE A 52 -6.013 -2.439 -6.714 1.00 0.00 C ATOM 778 CD1 ILE A 52 -4.081 -0.163 -7.042 1.00 0.00 C ATOM 0 H ILE A 52 -5.097 -1.481 -2.730 1.00 0.00 H new ATOM 0 HA ILE A 52 -7.320 -1.223 -4.717 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.546 -2.305 -5.163 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -5.826 0.344 -5.900 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -4.389 0.085 -4.932 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -5.278 -2.432 -7.519 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -6.267 -3.469 -6.464 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -6.911 -1.913 -7.038 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.799 0.880 -7.182 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.183 -0.770 -6.928 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -4.643 -0.506 -7.911 1.00 0.00 H new ATOM 790 N VAL A 53 -7.955 -3.663 -4.243 1.00 0.00 N ATOM 791 CA VAL A 53 -8.437 -4.987 -3.869 1.00 0.00 C ATOM 792 C VAL A 53 -8.809 -5.723 -5.158 1.00 0.00 C ATOM 793 O VAL A 53 -9.468 -5.158 -6.031 1.00 0.00 O ATOM 794 CB VAL A 53 -9.658 -4.864 -2.923 1.00 0.00 C ATOM 795 CG1 VAL A 53 -10.151 -6.229 -2.428 1.00 0.00 C ATOM 796 CG2 VAL A 53 -9.385 -4.003 -1.680 1.00 0.00 C ATOM 0 H VAL A 53 -8.595 -3.165 -4.861 1.00 0.00 H new ATOM 0 HA VAL A 53 -7.668 -5.543 -3.333 1.00 0.00 H new ATOM 0 HB VAL A 53 -10.418 -4.381 -3.538 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -11.008 -6.089 -1.769 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -10.446 -6.841 -3.281 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -9.351 -6.729 -1.882 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -10.282 -3.960 -1.063 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.570 -4.442 -1.105 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -9.109 -2.995 -1.989 1.00 0.00 H new ATOM 806 N LYS A 54 -8.408 -6.985 -5.285 1.00 0.00 N ATOM 807 CA LYS A 54 -8.871 -7.884 -6.338 1.00 0.00 C ATOM 808 C LYS A 54 -10.074 -8.653 -5.823 1.00 0.00 C ATOM 809 O LYS A 54 -10.060 -9.082 -4.664 1.00 0.00 O ATOM 810 CB LYS A 54 -7.759 -8.891 -6.665 1.00 0.00 C ATOM 811 CG LYS A 54 -6.551 -8.278 -7.373 1.00 0.00 C ATOM 812 CD LYS A 54 -6.946 -7.824 -8.781 1.00 0.00 C ATOM 813 CE LYS A 54 -5.704 -7.405 -9.560 1.00 0.00 C ATOM 814 NZ LYS A 54 -5.971 -7.387 -11.020 1.00 0.00 N ATOM 0 H LYS A 54 -7.740 -7.419 -4.648 1.00 0.00 H new ATOM 0 HA LYS A 54 -9.132 -7.310 -7.227 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.425 -9.360 -5.740 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -8.172 -9.681 -7.292 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.175 -7.430 -6.800 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.743 -9.008 -7.430 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -7.457 -8.633 -9.303 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -7.646 -6.991 -8.721 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -5.382 -6.416 -9.234 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.886 -8.093 -9.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.397 -6.645 -11.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -5.724 -8.311 -11.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.979 -7.193 -11.186 1.00 0.00 H new ATOM 828 N ILE A 55 -11.060 -8.900 -6.686 1.00 0.00 N ATOM 829 CA ILE A 55 -12.173 -9.784 -6.359 1.00 0.00 C ATOM 830 C ILE A 55 -12.642 -10.508 -7.634 1.00 0.00 C ATOM 831 O ILE A 55 -13.048 -9.883 -8.613 1.00 0.00 O ATOM 832 CB ILE A 55 -13.244 -8.982 -5.577 1.00 0.00 C ATOM 833 CG1 ILE A 55 -14.383 -9.912 -5.125 1.00 0.00 C ATOM 834 CG2 ILE A 55 -13.769 -7.739 -6.315 1.00 0.00 C ATOM 835 CD1 ILE A 55 -15.255 -9.300 -4.025 1.00 0.00 C ATOM 0 H ILE A 55 -11.108 -8.496 -7.622 1.00 0.00 H new ATOM 0 HA ILE A 55 -11.886 -10.590 -5.683 1.00 0.00 H new ATOM 0 HB ILE A 55 -12.745 -8.581 -4.695 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -15.009 -10.155 -5.984 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -13.958 -10.849 -4.765 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -14.514 -7.237 -5.698 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -12.942 -7.057 -6.513 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -14.224 -8.041 -7.258 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -16.040 -10.004 -3.749 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -14.640 -9.082 -3.152 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -15.707 -8.377 -4.390 1.00 0.00 H new ATOM 847 N ASP A 56 -12.492 -11.836 -7.660 1.00 0.00 N ATOM 848 CA ASP A 56 -12.803 -12.671 -8.827 1.00 0.00 C ATOM 849 C ASP A 56 -14.302 -12.961 -8.856 1.00 0.00 C ATOM 850 O ASP A 56 -14.802 -13.652 -7.963 1.00 0.00 O ATOM 851 CB ASP A 56 -12.009 -13.984 -8.760 1.00 0.00 C ATOM 852 CG ASP A 56 -12.367 -14.994 -9.872 1.00 0.00 C ATOM 853 OD1 ASP A 56 -13.117 -14.663 -10.816 1.00 0.00 O ATOM 854 OD2 ASP A 56 -11.858 -16.135 -9.794 1.00 0.00 O ATOM 0 H ASP A 56 -12.147 -12.369 -6.862 1.00 0.00 H new ATOM 0 HA ASP A 56 -12.522 -12.142 -9.738 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -10.945 -13.756 -8.820 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -12.181 -14.451 -7.790 1.00 0.00 H new ATOM 859 N VAL A 57 -15.034 -12.436 -9.842 1.00 0.00 N ATOM 860 CA VAL A 57 -16.489 -12.571 -9.911 1.00 0.00 C ATOM 861 C VAL A 57 -16.941 -14.035 -9.979 1.00 0.00 C ATOM 862 O VAL A 57 -18.040 -14.343 -9.516 1.00 0.00 O ATOM 863 CB VAL A 57 -17.091 -11.737 -11.065 1.00 0.00 C ATOM 864 CG1 VAL A 57 -16.769 -10.246 -10.887 1.00 0.00 C ATOM 865 CG2 VAL A 57 -16.652 -12.198 -12.463 1.00 0.00 C ATOM 0 H VAL A 57 -14.633 -11.905 -10.615 1.00 0.00 H new ATOM 0 HA VAL A 57 -16.879 -12.166 -8.977 1.00 0.00 H new ATOM 0 HB VAL A 57 -18.168 -11.897 -11.007 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -17.203 -9.679 -11.711 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -17.187 -9.893 -9.944 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -15.688 -10.106 -10.880 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -17.116 -11.564 -13.218 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -15.568 -12.126 -12.546 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -16.960 -13.232 -12.619 1.00 0.00 H new ATOM 875 N ASP A 58 -16.102 -14.947 -10.487 1.00 0.00 N ATOM 876 CA ASP A 58 -16.437 -16.369 -10.627 1.00 0.00 C ATOM 877 C ASP A 58 -16.462 -17.098 -9.271 1.00 0.00 C ATOM 878 O ASP A 58 -16.775 -18.287 -9.199 1.00 0.00 O ATOM 879 CB ASP A 58 -15.465 -17.046 -11.603 1.00 0.00 C ATOM 880 CG ASP A 58 -15.904 -18.476 -11.966 1.00 0.00 C ATOM 881 OD1 ASP A 58 -17.040 -18.661 -12.458 1.00 0.00 O ATOM 882 OD2 ASP A 58 -15.092 -19.419 -11.813 1.00 0.00 O ATOM 0 H ASP A 58 -15.164 -14.716 -10.815 1.00 0.00 H new ATOM 0 HA ASP A 58 -17.446 -16.434 -11.033 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -15.392 -16.449 -12.512 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -14.470 -17.075 -11.160 1.00 0.00 H new ATOM 887 N GLU A 59 -16.156 -16.387 -8.182 1.00 0.00 N ATOM 888 CA GLU A 59 -16.279 -16.854 -6.805 1.00 0.00 C ATOM 889 C GLU A 59 -17.009 -15.806 -5.943 1.00 0.00 C ATOM 890 O GLU A 59 -17.094 -15.966 -4.724 1.00 0.00 O ATOM 891 CB GLU A 59 -14.872 -17.150 -6.242 1.00 0.00 C ATOM 892 CG GLU A 59 -14.135 -18.318 -6.920 1.00 0.00 C ATOM 893 CD GLU A 59 -14.820 -19.694 -6.763 1.00 0.00 C ATOM 894 OE1 GLU A 59 -15.602 -19.913 -5.809 1.00 0.00 O ATOM 895 OE2 GLU A 59 -14.522 -20.610 -7.564 1.00 0.00 O ATOM 0 H GLU A 59 -15.802 -15.432 -8.242 1.00 0.00 H new ATOM 0 HA GLU A 59 -16.870 -17.770 -6.783 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -14.262 -16.251 -6.336 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -14.961 -17.365 -5.177 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -14.033 -18.097 -7.983 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -13.127 -18.381 -6.510 1.00 0.00 H new ATOM 902 N ASN A 60 -17.538 -14.730 -6.546 1.00 0.00 N ATOM 903 CA ASN A 60 -18.035 -13.546 -5.838 1.00 0.00 C ATOM 904 C ASN A 60 -19.272 -12.986 -6.530 1.00 0.00 C ATOM 905 O ASN A 60 -19.390 -11.783 -6.772 1.00 0.00 O ATOM 906 CB ASN A 60 -16.917 -12.503 -5.710 1.00 0.00 C ATOM 907 CG ASN A 60 -15.884 -12.971 -4.703 1.00 0.00 C ATOM 908 OD1 ASN A 60 -16.130 -12.936 -3.504 1.00 0.00 O ATOM 909 ND2 ASN A 60 -14.734 -13.436 -5.160 1.00 0.00 N ATOM 0 H ASN A 60 -17.633 -14.660 -7.559 1.00 0.00 H new ATOM 0 HA ASN A 60 -18.337 -13.829 -4.830 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -16.445 -12.343 -6.679 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -17.335 -11.546 -5.397 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -14.027 -13.777 -4.509 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -14.554 -13.454 -6.164 1.00 0.00 H new ATOM 916 N GLN A 61 -20.198 -13.881 -6.866 1.00 0.00 N ATOM 917 CA GLN A 61 -21.481 -13.538 -7.456 1.00 0.00 C ATOM 918 C GLN A 61 -22.222 -12.577 -6.520 1.00 0.00 C ATOM 919 O GLN A 61 -22.774 -11.568 -6.954 1.00 0.00 O ATOM 920 CB GLN A 61 -22.338 -14.803 -7.683 1.00 0.00 C ATOM 921 CG GLN A 61 -21.692 -15.959 -8.471 1.00 0.00 C ATOM 922 CD GLN A 61 -20.574 -16.748 -7.767 1.00 0.00 C ATOM 923 OE1 GLN A 61 -20.522 -16.833 -6.442 1.00 0.00 O flip ATOM 924 NE2 GLN A 61 -19.713 -17.311 -8.433 1.00 0.00 N flip ATOM 0 H GLN A 61 -20.071 -14.884 -6.731 1.00 0.00 H new ATOM 0 HA GLN A 61 -21.308 -13.063 -8.422 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -22.640 -15.186 -6.708 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -23.248 -14.506 -8.204 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -22.479 -16.661 -8.748 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -21.287 -15.552 -9.398 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -19.738 -17.256 -9.451 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -18.971 -17.835 -7.969 1.00 0.00 H new ATOM 933 N GLU A 62 -22.191 -12.893 -5.225 1.00 0.00 N ATOM 934 CA GLU A 62 -22.924 -12.215 -4.172 1.00 0.00 C ATOM 935 C GLU A 62 -22.411 -10.791 -3.958 1.00 0.00 C ATOM 936 O GLU A 62 -23.186 -9.914 -3.567 1.00 0.00 O ATOM 937 CB GLU A 62 -22.803 -13.022 -2.866 1.00 0.00 C ATOM 938 CG GLU A 62 -23.394 -14.443 -2.938 1.00 0.00 C ATOM 939 CD GLU A 62 -22.350 -15.530 -3.267 1.00 0.00 C ATOM 940 OE1 GLU A 62 -21.734 -15.478 -4.356 1.00 0.00 O ATOM 941 OE2 GLU A 62 -22.160 -16.454 -2.443 1.00 0.00 O ATOM 0 H GLU A 62 -21.626 -13.665 -4.872 1.00 0.00 H new ATOM 0 HA GLU A 62 -23.970 -12.147 -4.471 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -21.750 -13.093 -2.594 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -23.303 -12.474 -2.067 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -23.865 -14.680 -1.984 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -24.178 -14.463 -3.695 1.00 0.00 H new ATOM 948 N THR A 63 -21.126 -10.538 -4.213 1.00 0.00 N ATOM 949 CA THR A 63 -20.556 -9.209 -4.128 1.00 0.00 C ATOM 950 C THR A 63 -20.802 -8.460 -5.430 1.00 0.00 C ATOM 951 O THR A 63 -21.272 -7.332 -5.386 1.00 0.00 O ATOM 952 CB THR A 63 -19.056 -9.241 -3.787 1.00 0.00 C ATOM 953 OG1 THR A 63 -18.631 -10.549 -3.456 1.00 0.00 O ATOM 954 CG2 THR A 63 -18.741 -8.299 -2.625 1.00 0.00 C ATOM 0 H THR A 63 -20.456 -11.258 -4.485 1.00 0.00 H new ATOM 0 HA THR A 63 -21.051 -8.683 -3.312 1.00 0.00 H new ATOM 0 HB THR A 63 -18.517 -8.910 -4.675 1.00 0.00 H new ATOM 0 HG1 THR A 63 -17.898 -10.500 -2.807 1.00 0.00 H new ATOM 0 HG21 THR A 63 -17.675 -8.339 -2.403 1.00 0.00 H new ATOM 0 HG22 THR A 63 -19.017 -7.280 -2.898 1.00 0.00 H new ATOM 0 HG23 THR A 63 -19.307 -8.605 -1.745 1.00 0.00 H new ATOM 962 N ALA A 64 -20.545 -9.061 -6.595 1.00 0.00 N ATOM 963 CA ALA A 64 -20.690 -8.342 -7.856 1.00 0.00 C ATOM 964 C ALA A 64 -22.149 -7.916 -8.061 1.00 0.00 C ATOM 965 O ALA A 64 -22.427 -6.745 -8.329 1.00 0.00 O ATOM 966 CB ALA A 64 -20.191 -9.238 -8.995 1.00 0.00 C ATOM 0 H ALA A 64 -20.240 -10.030 -6.688 1.00 0.00 H new ATOM 0 HA ALA A 64 -20.091 -7.432 -7.842 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -20.294 -8.712 -9.944 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -19.143 -9.486 -8.830 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -20.781 -10.154 -9.022 1.00 0.00 H new ATOM 972 N GLY A 65 -23.091 -8.834 -7.822 1.00 0.00 N ATOM 973 CA GLY A 65 -24.520 -8.563 -7.891 1.00 0.00 C ATOM 974 C GLY A 65 -24.971 -7.507 -6.879 1.00 0.00 C ATOM 975 O GLY A 65 -25.975 -6.833 -7.113 1.00 0.00 O ATOM 0 H GLY A 65 -22.873 -9.799 -7.572 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -24.774 -8.228 -8.897 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -25.070 -9.487 -7.715 1.00 0.00 H new ATOM 979 N LYS A 66 -24.214 -7.296 -5.794 1.00 0.00 N ATOM 980 CA LYS A 66 -24.501 -6.275 -4.783 1.00 0.00 C ATOM 981 C LYS A 66 -24.483 -4.868 -5.388 1.00 0.00 C ATOM 982 O LYS A 66 -25.170 -3.984 -4.877 1.00 0.00 O ATOM 983 CB LYS A 66 -23.480 -6.388 -3.634 1.00 0.00 C ATOM 984 CG LYS A 66 -24.101 -6.124 -2.258 1.00 0.00 C ATOM 985 CD LYS A 66 -23.053 -6.105 -1.130 1.00 0.00 C ATOM 986 CE LYS A 66 -22.089 -7.305 -1.067 1.00 0.00 C ATOM 987 NZ LYS A 66 -22.762 -8.629 -0.997 1.00 0.00 N ATOM 0 H LYS A 66 -23.374 -7.838 -5.593 1.00 0.00 H new ATOM 0 HA LYS A 66 -25.504 -6.446 -4.392 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -23.039 -7.385 -3.643 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -22.669 -5.679 -3.804 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -24.626 -5.169 -2.277 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -24.845 -6.892 -2.045 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -22.460 -5.196 -1.231 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -23.578 -6.039 -0.177 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -21.444 -7.284 -1.946 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -21.444 -7.192 -0.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -22.127 -9.318 -0.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -23.635 -8.545 -0.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -22.995 -8.951 -1.958 1.00 0.00 H new ATOM 1001 N TYR A 67 -23.746 -4.671 -6.488 1.00 0.00 N ATOM 1002 CA TYR A 67 -23.631 -3.395 -7.199 1.00 0.00 C ATOM 1003 C TYR A 67 -24.202 -3.512 -8.621 1.00 0.00 C ATOM 1004 O TYR A 67 -24.000 -2.618 -9.445 1.00 0.00 O ATOM 1005 CB TYR A 67 -22.164 -2.922 -7.196 1.00 0.00 C ATOM 1006 CG TYR A 67 -21.412 -3.247 -5.918 1.00 0.00 C ATOM 1007 CD1 TYR A 67 -21.707 -2.572 -4.717 1.00 0.00 C ATOM 1008 CD2 TYR A 67 -20.520 -4.333 -5.910 1.00 0.00 C ATOM 1009 CE1 TYR A 67 -21.127 -2.996 -3.508 1.00 0.00 C ATOM 1010 CE2 TYR A 67 -19.956 -4.774 -4.705 1.00 0.00 C ATOM 1011 CZ TYR A 67 -20.265 -4.118 -3.492 1.00 0.00 C ATOM 1012 OH TYR A 67 -19.774 -4.600 -2.317 1.00 0.00 O ATOM 0 H TYR A 67 -23.199 -5.416 -6.919 1.00 0.00 H new ATOM 0 HA TYR A 67 -24.223 -2.640 -6.682 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -21.644 -3.380 -8.038 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -22.140 -1.844 -7.355 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -22.380 -1.727 -4.725 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -20.268 -4.829 -6.835 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -21.340 -2.465 -2.592 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -19.283 -5.618 -4.704 1.00 0.00 H new ATOM 0 HH TYR A 67 -18.807 -4.737 -2.398 1.00 0.00 H new ATOM 1022 N GLY A 68 -24.903 -4.613 -8.928 1.00 0.00 N ATOM 1023 CA GLY A 68 -25.444 -4.896 -10.252 1.00 0.00 C ATOM 1024 C GLY A 68 -24.353 -5.163 -11.294 1.00 0.00 C ATOM 1025 O GLY A 68 -24.576 -4.916 -12.481 1.00 0.00 O ATOM 0 H GLY A 68 -25.110 -5.342 -8.245 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -26.103 -5.762 -10.193 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -26.053 -4.053 -10.578 1.00 0.00 H new ATOM 1029 N VAL A 69 -23.178 -5.638 -10.870 1.00 0.00 N ATOM 1030 CA VAL A 69 -22.055 -5.950 -11.748 1.00 0.00 C ATOM 1031 C VAL A 69 -22.031 -7.458 -12.017 1.00 0.00 C ATOM 1032 O VAL A 69 -22.503 -8.272 -11.222 1.00 0.00 O ATOM 1033 CB VAL A 69 -20.733 -5.440 -11.118 1.00 0.00 C ATOM 1034 CG1 VAL A 69 -19.488 -5.837 -11.935 1.00 0.00 C ATOM 1035 CG2 VAL A 69 -20.751 -3.904 -10.999 1.00 0.00 C ATOM 0 H VAL A 69 -22.981 -5.819 -9.886 1.00 0.00 H new ATOM 0 HA VAL A 69 -22.168 -5.442 -12.706 1.00 0.00 H new ATOM 0 HB VAL A 69 -20.669 -5.909 -10.136 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -18.593 -5.452 -11.445 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -19.427 -6.923 -12.001 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -19.562 -5.417 -12.938 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -19.816 -3.562 -10.555 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -20.864 -3.464 -11.990 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -21.585 -3.598 -10.368 1.00 0.00 H new ATOM 1045 N MET A 70 -21.447 -7.798 -13.164 1.00 0.00 N ATOM 1046 CA MET A 70 -21.041 -9.136 -13.587 1.00 0.00 C ATOM 1047 C MET A 70 -20.038 -9.025 -14.748 1.00 0.00 C ATOM 1048 O MET A 70 -19.228 -9.932 -14.941 1.00 0.00 O ATOM 1049 CB MET A 70 -22.253 -10.005 -13.987 1.00 0.00 C ATOM 1050 CG MET A 70 -22.469 -11.148 -12.987 1.00 0.00 C ATOM 1051 SD MET A 70 -21.080 -12.315 -12.856 1.00 0.00 S ATOM 1052 CE MET A 70 -21.632 -13.295 -11.436 1.00 0.00 C ATOM 0 H MET A 70 -21.230 -7.096 -13.872 1.00 0.00 H new ATOM 0 HA MET A 70 -20.562 -9.632 -12.743 1.00 0.00 H new ATOM 0 HB2 MET A 70 -23.149 -9.385 -14.034 1.00 0.00 H new ATOM 0 HB3 MET A 70 -22.096 -10.415 -14.985 1.00 0.00 H new ATOM 0 HG2 MET A 70 -22.661 -10.720 -12.003 1.00 0.00 H new ATOM 0 HG3 MET A 70 -23.364 -11.700 -13.274 1.00 0.00 H new ATOM 0 HE1 MET A 70 -20.827 -13.956 -11.115 1.00 0.00 H new ATOM 0 HE2 MET A 70 -21.902 -12.629 -10.617 1.00 0.00 H new ATOM 0 HE3 MET A 70 -22.499 -13.891 -11.720 1.00 0.00 H new ATOM 1062 N SER A 71 -20.054 -7.915 -15.500 1.00 0.00 N ATOM 1063 CA SER A 71 -19.041 -7.593 -16.492 1.00 0.00 C ATOM 1064 C SER A 71 -17.695 -7.403 -15.790 1.00 0.00 C ATOM 1065 O SER A 71 -17.655 -6.947 -14.642 1.00 0.00 O ATOM 1066 CB SER A 71 -19.444 -6.304 -17.224 1.00 0.00 C ATOM 1067 OG SER A 71 -20.803 -6.361 -17.636 1.00 0.00 O ATOM 0 H SER A 71 -20.787 -7.210 -15.428 1.00 0.00 H new ATOM 0 HA SER A 71 -18.955 -8.402 -17.217 1.00 0.00 H new ATOM 0 HB2 SER A 71 -19.294 -5.446 -16.569 1.00 0.00 H new ATOM 0 HB3 SER A 71 -18.802 -6.158 -18.093 1.00 0.00 H new ATOM 0 HG SER A 71 -21.040 -5.530 -18.098 1.00 0.00 H new ATOM 1073 N ILE A 72 -16.596 -7.696 -16.485 1.00 0.00 N ATOM 1074 CA ILE A 72 -15.238 -7.499 -15.994 1.00 0.00 C ATOM 1075 C ILE A 72 -14.333 -7.092 -17.172 1.00 0.00 C ATOM 1076 O ILE A 72 -14.649 -7.458 -18.307 1.00 0.00 O ATOM 1077 CB ILE A 72 -14.700 -8.761 -15.276 1.00 0.00 C ATOM 1078 CG1 ILE A 72 -14.450 -10.010 -16.150 1.00 0.00 C ATOM 1079 CG2 ILE A 72 -15.511 -9.112 -14.018 1.00 0.00 C ATOM 1080 CD1 ILE A 72 -15.674 -10.793 -16.641 1.00 0.00 C ATOM 0 H ILE A 72 -16.629 -8.086 -17.427 1.00 0.00 H new ATOM 0 HA ILE A 72 -15.242 -6.701 -15.252 1.00 0.00 H new ATOM 0 HB ILE A 72 -13.698 -8.449 -14.979 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -13.878 -9.699 -17.024 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -13.819 -10.695 -15.584 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -15.092 -10.004 -13.552 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -15.468 -8.281 -13.314 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -16.548 -9.300 -14.295 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -15.346 -11.642 -17.241 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -16.243 -11.153 -15.784 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -16.304 -10.141 -17.247 1.00 0.00 H new ATOM 1092 N PRO A 73 -13.199 -6.399 -16.941 1.00 0.00 N ATOM 1093 CA PRO A 73 -12.808 -5.786 -15.679 1.00 0.00 C ATOM 1094 C PRO A 73 -13.768 -4.645 -15.346 1.00 0.00 C ATOM 1095 O PRO A 73 -14.163 -3.883 -16.232 1.00 0.00 O ATOM 1096 CB PRO A 73 -11.375 -5.277 -15.875 1.00 0.00 C ATOM 1097 CG PRO A 73 -11.236 -5.099 -17.385 1.00 0.00 C ATOM 1098 CD PRO A 73 -12.225 -6.102 -17.976 1.00 0.00 C ATOM 0 HA PRO A 73 -12.848 -6.490 -14.848 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -11.212 -4.337 -15.348 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -10.645 -5.989 -15.490 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -11.474 -4.080 -17.689 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -10.218 -5.301 -17.717 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -12.714 -5.688 -18.858 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -11.711 -7.009 -18.293 1.00 0.00 H new ATOM 1106 N THR A 74 -14.113 -4.520 -14.068 1.00 0.00 N ATOM 1107 CA THR A 74 -14.960 -3.458 -13.562 1.00 0.00 C ATOM 1108 C THR A 74 -14.253 -2.899 -12.336 1.00 0.00 C ATOM 1109 O THR A 74 -13.934 -3.623 -11.393 1.00 0.00 O ATOM 1110 CB THR A 74 -16.381 -3.981 -13.292 1.00 0.00 C ATOM 1111 OG1 THR A 74 -16.977 -4.364 -14.514 1.00 0.00 O ATOM 1112 CG2 THR A 74 -17.275 -2.920 -12.641 1.00 0.00 C ATOM 0 H THR A 74 -13.803 -5.170 -13.345 1.00 0.00 H new ATOM 0 HA THR A 74 -15.103 -2.653 -14.283 1.00 0.00 H new ATOM 0 HB THR A 74 -16.291 -4.825 -12.609 1.00 0.00 H new ATOM 0 HG1 THR A 74 -17.180 -5.322 -14.493 1.00 0.00 H new ATOM 0 HG21 THR A 74 -18.268 -3.336 -12.470 1.00 0.00 H new ATOM 0 HG22 THR A 74 -16.841 -2.613 -11.689 1.00 0.00 H new ATOM 0 HG23 THR A 74 -17.353 -2.055 -13.300 1.00 0.00 H new ATOM 1120 N LEU A 75 -13.963 -1.603 -12.389 1.00 0.00 N ATOM 1121 CA LEU A 75 -13.310 -0.864 -11.334 1.00 0.00 C ATOM 1122 C LEU A 75 -14.412 -0.213 -10.515 1.00 0.00 C ATOM 1123 O LEU A 75 -15.024 0.772 -10.932 1.00 0.00 O ATOM 1124 CB LEU A 75 -12.345 0.179 -11.916 1.00 0.00 C ATOM 1125 CG LEU A 75 -11.123 -0.409 -12.652 1.00 0.00 C ATOM 1126 CD1 LEU A 75 -10.198 0.739 -13.062 1.00 0.00 C ATOM 1127 CD2 LEU A 75 -10.326 -1.420 -11.816 1.00 0.00 C ATOM 0 H LEU A 75 -14.187 -1.026 -13.199 1.00 0.00 H new ATOM 0 HA LEU A 75 -12.706 -1.519 -10.706 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -12.896 0.817 -12.608 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -11.991 0.818 -11.107 1.00 0.00 H new ATOM 0 HG LEU A 75 -11.504 -0.952 -13.517 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -9.329 0.338 -13.584 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -10.735 1.421 -13.722 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -9.870 1.278 -12.173 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -9.483 -1.790 -12.399 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -9.957 -0.935 -10.912 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -10.971 -2.255 -11.542 1.00 0.00 H new ATOM 1139 N LEU A 76 -14.694 -0.810 -9.366 1.00 0.00 N ATOM 1140 CA LEU A 76 -15.521 -0.212 -8.334 1.00 0.00 C ATOM 1141 C LEU A 76 -14.600 0.736 -7.580 1.00 0.00 C ATOM 1142 O LEU A 76 -13.435 0.403 -7.350 1.00 0.00 O ATOM 1143 CB LEU A 76 -16.035 -1.323 -7.394 1.00 0.00 C ATOM 1144 CG LEU A 76 -17.542 -1.617 -7.455 1.00 0.00 C ATOM 1145 CD1 LEU A 76 -18.340 -0.467 -6.842 1.00 0.00 C ATOM 1146 CD2 LEU A 76 -18.006 -1.924 -8.883 1.00 0.00 C ATOM 0 H LEU A 76 -14.348 -1.738 -9.123 1.00 0.00 H new ATOM 0 HA LEU A 76 -16.387 0.311 -8.739 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -15.497 -2.243 -7.623 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -15.780 -1.051 -6.370 1.00 0.00 H new ATOM 0 HG LEU A 76 -17.730 -2.513 -6.863 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -19.405 -0.694 -6.895 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -18.048 -0.336 -5.800 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -18.137 0.451 -7.393 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -19.077 -2.126 -8.882 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -17.799 -1.068 -9.525 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -17.472 -2.797 -9.259 1.00 0.00 H new ATOM 1158 N VAL A 77 -15.107 1.884 -7.145 1.00 0.00 N ATOM 1159 CA VAL A 77 -14.360 2.805 -6.311 1.00 0.00 C ATOM 1160 C VAL A 77 -15.249 3.019 -5.100 1.00 0.00 C ATOM 1161 O VAL A 77 -16.430 3.347 -5.247 1.00 0.00 O ATOM 1162 CB VAL A 77 -14.026 4.111 -7.064 1.00 0.00 C ATOM 1163 CG1 VAL A 77 -12.970 4.911 -6.284 1.00 0.00 C ATOM 1164 CG2 VAL A 77 -13.495 3.877 -8.489 1.00 0.00 C ATOM 0 H VAL A 77 -16.052 2.199 -7.364 1.00 0.00 H new ATOM 0 HA VAL A 77 -13.384 2.417 -6.019 1.00 0.00 H new ATOM 0 HB VAL A 77 -14.964 4.660 -7.143 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -12.740 5.831 -6.822 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -13.357 5.156 -5.295 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -12.064 4.314 -6.182 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -13.281 4.837 -8.960 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -12.582 3.283 -8.444 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -14.245 3.345 -9.074 1.00 0.00 H new ATOM 1174 N LEU A 78 -14.694 2.794 -3.914 1.00 0.00 N ATOM 1175 CA LEU A 78 -15.377 2.920 -2.636 1.00 0.00 C ATOM 1176 C LEU A 78 -14.549 3.843 -1.749 1.00 0.00 C ATOM 1177 O LEU A 78 -13.354 4.036 -1.985 1.00 0.00 O ATOM 1178 CB LEU A 78 -15.579 1.549 -1.954 1.00 0.00 C ATOM 1179 CG LEU A 78 -16.468 0.557 -2.739 1.00 0.00 C ATOM 1180 CD1 LEU A 78 -15.633 -0.387 -3.615 1.00 0.00 C ATOM 1181 CD2 LEU A 78 -17.329 -0.287 -1.792 1.00 0.00 C ATOM 0 H LEU A 78 -13.720 2.508 -3.815 1.00 0.00 H new ATOM 0 HA LEU A 78 -16.371 3.336 -2.799 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -14.603 1.091 -1.794 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -16.020 1.710 -0.970 1.00 0.00 H new ATOM 0 HG LEU A 78 -17.111 1.161 -3.379 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -16.295 -1.068 -4.150 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -15.057 0.197 -4.333 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -14.953 -0.961 -2.986 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -17.943 -0.975 -2.374 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -16.683 -0.855 -1.122 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -17.974 0.368 -1.206 1.00 0.00 H new ATOM 1193 N LYS A 79 -15.168 4.399 -0.711 1.00 0.00 N ATOM 1194 CA LYS A 79 -14.502 5.216 0.287 1.00 0.00 C ATOM 1195 C LYS A 79 -15.174 4.936 1.617 1.00 0.00 C ATOM 1196 O LYS A 79 -16.394 5.058 1.708 1.00 0.00 O ATOM 1197 CB LYS A 79 -14.595 6.699 -0.113 1.00 0.00 C ATOM 1198 CG LYS A 79 -13.759 7.603 0.806 1.00 0.00 C ATOM 1199 CD LYS A 79 -13.723 9.038 0.254 1.00 0.00 C ATOM 1200 CE LYS A 79 -12.628 9.874 0.932 1.00 0.00 C ATOM 1201 NZ LYS A 79 -12.479 11.198 0.285 1.00 0.00 N ATOM 0 H LYS A 79 -16.168 4.289 -0.541 1.00 0.00 H new ATOM 0 HA LYS A 79 -13.441 4.978 0.364 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -14.256 6.818 -1.142 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -15.637 7.017 -0.082 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -14.182 7.603 1.810 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -12.745 7.212 0.888 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -13.548 9.011 -0.822 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -14.692 9.513 0.408 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -12.871 10.008 1.986 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -11.680 9.338 0.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -11.534 11.580 0.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -12.595 11.097 -0.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -13.203 11.848 0.653 1.00 0.00 H new ATOM 1215 N ASP A 80 -14.386 4.561 2.629 1.00 0.00 N ATOM 1216 CA ASP A 80 -14.830 4.328 4.006 1.00 0.00 C ATOM 1217 C ASP A 80 -16.132 3.505 4.101 1.00 0.00 C ATOM 1218 O ASP A 80 -16.994 3.757 4.946 1.00 0.00 O ATOM 1219 CB ASP A 80 -14.884 5.671 4.757 1.00 0.00 C ATOM 1220 CG ASP A 80 -15.122 5.501 6.269 1.00 0.00 C ATOM 1221 OD1 ASP A 80 -14.453 4.655 6.904 1.00 0.00 O ATOM 1222 OD2 ASP A 80 -15.933 6.261 6.846 1.00 0.00 O ATOM 0 H ASP A 80 -13.385 4.406 2.507 1.00 0.00 H new ATOM 0 HA ASP A 80 -14.096 3.694 4.503 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -13.949 6.208 4.599 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -15.679 6.286 4.336 1.00 0.00 H new ATOM 1227 N GLY A 81 -16.291 2.522 3.208 1.00 0.00 N ATOM 1228 CA GLY A 81 -17.334 1.508 3.283 1.00 0.00 C ATOM 1229 C GLY A 81 -18.480 1.681 2.287 1.00 0.00 C ATOM 1230 O GLY A 81 -19.364 0.823 2.266 1.00 0.00 O ATOM 0 H GLY A 81 -15.682 2.412 2.397 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -16.880 0.530 3.124 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -17.747 1.508 4.292 1.00 0.00 H new ATOM 1234 N GLU A 82 -18.499 2.733 1.460 1.00 0.00 N ATOM 1235 CA GLU A 82 -19.579 2.984 0.510 1.00 0.00 C ATOM 1236 C GLU A 82 -19.014 3.264 -0.881 1.00 0.00 C ATOM 1237 O GLU A 82 -17.910 3.792 -1.011 1.00 0.00 O ATOM 1238 CB GLU A 82 -20.470 4.116 1.044 1.00 0.00 C ATOM 1239 CG GLU A 82 -19.888 5.534 0.937 1.00 0.00 C ATOM 1240 CD GLU A 82 -20.852 6.579 1.526 1.00 0.00 C ATOM 1241 OE1 GLU A 82 -21.721 7.099 0.791 1.00 0.00 O ATOM 1242 OE2 GLU A 82 -20.749 6.905 2.732 1.00 0.00 O ATOM 0 H GLU A 82 -17.760 3.435 1.434 1.00 0.00 H new ATOM 0 HA GLU A 82 -20.206 2.098 0.407 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -21.418 4.091 0.506 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -20.693 3.914 2.092 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -18.934 5.579 1.463 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -19.687 5.769 -0.108 1.00 0.00 H new ATOM 1249 N VAL A 83 -19.758 2.889 -1.922 1.00 0.00 N ATOM 1250 CA VAL A 83 -19.394 3.126 -3.312 1.00 0.00 C ATOM 1251 C VAL A 83 -19.411 4.631 -3.575 1.00 0.00 C ATOM 1252 O VAL A 83 -20.308 5.352 -3.128 1.00 0.00 O ATOM 1253 CB VAL A 83 -20.344 2.344 -4.247 1.00 0.00 C ATOM 1254 CG1 VAL A 83 -19.966 2.518 -5.725 1.00 0.00 C ATOM 1255 CG2 VAL A 83 -20.352 0.839 -3.925 1.00 0.00 C ATOM 0 H VAL A 83 -20.648 2.402 -1.816 1.00 0.00 H new ATOM 0 HA VAL A 83 -18.387 2.762 -3.516 1.00 0.00 H new ATOM 0 HB VAL A 83 -21.337 2.760 -4.075 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -20.659 1.952 -6.347 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -20.018 3.574 -5.992 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -18.952 2.152 -5.887 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -21.032 0.325 -4.604 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -19.346 0.436 -4.045 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -20.683 0.689 -2.898 1.00 0.00 H new ATOM 1265 N VAL A 84 -18.428 5.074 -4.354 1.00 0.00 N ATOM 1266 CA VAL A 84 -18.308 6.426 -4.870 1.00 0.00 C ATOM 1267 C VAL A 84 -18.190 6.420 -6.401 1.00 0.00 C ATOM 1268 O VAL A 84 -18.497 7.447 -7.002 1.00 0.00 O ATOM 1269 CB VAL A 84 -17.171 7.197 -4.159 1.00 0.00 C ATOM 1270 CG1 VAL A 84 -17.444 7.342 -2.653 1.00 0.00 C ATOM 1271 CG2 VAL A 84 -15.785 6.561 -4.342 1.00 0.00 C ATOM 0 H VAL A 84 -17.662 4.471 -4.653 1.00 0.00 H new ATOM 0 HA VAL A 84 -19.222 6.973 -4.642 1.00 0.00 H new ATOM 0 HB VAL A 84 -17.159 8.176 -4.638 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -16.625 7.889 -2.186 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -18.376 7.887 -2.503 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -17.525 6.353 -2.201 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -15.039 7.157 -3.816 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -15.793 5.549 -3.937 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -15.538 6.525 -5.403 1.00 0.00 H new ATOM 1281 N GLU A 85 -17.838 5.295 -7.051 1.00 0.00 N ATOM 1282 CA GLU A 85 -17.928 5.179 -8.514 1.00 0.00 C ATOM 1283 C GLU A 85 -17.955 3.712 -8.959 1.00 0.00 C ATOM 1284 O GLU A 85 -17.616 2.812 -8.191 1.00 0.00 O ATOM 1285 CB GLU A 85 -16.756 5.920 -9.205 1.00 0.00 C ATOM 1286 CG GLU A 85 -17.192 7.119 -10.067 1.00 0.00 C ATOM 1287 CD GLU A 85 -17.969 6.731 -11.341 1.00 0.00 C ATOM 1288 OE1 GLU A 85 -19.017 6.057 -11.240 1.00 0.00 O ATOM 1289 OE2 GLU A 85 -17.559 7.143 -12.450 1.00 0.00 O ATOM 0 H GLU A 85 -17.490 4.457 -6.585 1.00 0.00 H new ATOM 0 HA GLU A 85 -18.865 5.647 -8.817 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -16.060 6.269 -8.442 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -16.213 5.213 -9.833 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -17.814 7.780 -9.463 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -16.307 7.687 -10.353 1.00 0.00 H new ATOM 1296 N THR A 86 -18.332 3.468 -10.213 1.00 0.00 N ATOM 1297 CA THR A 86 -18.221 2.189 -10.906 1.00 0.00 C ATOM 1298 C THR A 86 -17.882 2.498 -12.371 1.00 0.00 C ATOM 1299 O THR A 86 -18.521 3.349 -12.993 1.00 0.00 O ATOM 1300 CB THR A 86 -19.542 1.410 -10.766 1.00 0.00 C ATOM 1301 OG1 THR A 86 -19.762 1.098 -9.408 1.00 0.00 O ATOM 1302 CG2 THR A 86 -19.591 0.117 -11.591 1.00 0.00 C ATOM 0 H THR A 86 -18.743 4.193 -10.801 1.00 0.00 H new ATOM 0 HA THR A 86 -17.439 1.561 -10.480 1.00 0.00 H new ATOM 0 HB THR A 86 -20.324 2.061 -11.156 1.00 0.00 H new ATOM 0 HG1 THR A 86 -20.603 0.604 -9.318 1.00 0.00 H new ATOM 0 HG21 THR A 86 -20.552 -0.375 -11.440 1.00 0.00 H new ATOM 0 HG22 THR A 86 -19.467 0.355 -12.648 1.00 0.00 H new ATOM 0 HG23 THR A 86 -18.789 -0.549 -11.272 1.00 0.00 H new ATOM 1310 N SER A 87 -16.892 1.795 -12.921 1.00 0.00 N ATOM 1311 CA SER A 87 -16.370 2.001 -14.272 1.00 0.00 C ATOM 1312 C SER A 87 -16.002 0.638 -14.863 1.00 0.00 C ATOM 1313 O SER A 87 -15.684 -0.278 -14.108 1.00 0.00 O ATOM 1314 CB SER A 87 -15.134 2.916 -14.206 1.00 0.00 C ATOM 1315 OG SER A 87 -15.394 4.125 -13.506 1.00 0.00 O ATOM 0 H SER A 87 -16.416 1.043 -12.423 1.00 0.00 H new ATOM 0 HA SER A 87 -17.119 2.477 -14.905 1.00 0.00 H new ATOM 0 HB2 SER A 87 -14.317 2.385 -13.718 1.00 0.00 H new ATOM 0 HB3 SER A 87 -14.803 3.149 -15.218 1.00 0.00 H new ATOM 0 HG SER A 87 -14.582 4.673 -13.488 1.00 0.00 H new ATOM 1321 N VAL A 88 -16.029 0.475 -16.188 1.00 0.00 N ATOM 1322 CA VAL A 88 -15.897 -0.832 -16.840 1.00 0.00 C ATOM 1323 C VAL A 88 -14.850 -0.725 -17.952 1.00 0.00 C ATOM 1324 O VAL A 88 -14.673 0.343 -18.550 1.00 0.00 O ATOM 1325 CB VAL A 88 -17.282 -1.303 -17.357 1.00 0.00 C ATOM 1326 CG1 VAL A 88 -17.246 -2.737 -17.915 1.00 0.00 C ATOM 1327 CG2 VAL A 88 -18.366 -1.270 -16.264 1.00 0.00 C ATOM 0 H VAL A 88 -16.144 1.249 -16.842 1.00 0.00 H new ATOM 0 HA VAL A 88 -15.554 -1.588 -16.133 1.00 0.00 H new ATOM 0 HB VAL A 88 -17.529 -0.597 -18.149 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -18.240 -3.017 -18.263 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -16.543 -2.786 -18.747 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -16.929 -3.425 -17.131 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -19.314 -1.609 -16.681 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -18.075 -1.926 -15.443 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -18.477 -0.251 -15.892 1.00 0.00 H new ATOM 1337 N GLY A 89 -14.158 -1.828 -18.236 1.00 0.00 N ATOM 1338 CA GLY A 89 -13.178 -1.934 -19.307 1.00 0.00 C ATOM 1339 C GLY A 89 -11.829 -1.332 -18.916 1.00 0.00 C ATOM 1340 O GLY A 89 -11.677 -0.739 -17.844 1.00 0.00 O ATOM 0 H GLY A 89 -14.270 -2.695 -17.710 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -13.043 -2.983 -19.571 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -13.556 -1.428 -20.195 1.00 0.00 H new ATOM 1344 N PHE A 90 -10.842 -1.496 -19.800 1.00 0.00 N ATOM 1345 CA PHE A 90 -9.498 -0.952 -19.622 1.00 0.00 C ATOM 1346 C PHE A 90 -9.541 0.576 -19.496 1.00 0.00 C ATOM 1347 O PHE A 90 -10.431 1.235 -20.046 1.00 0.00 O ATOM 1348 CB PHE A 90 -8.609 -1.393 -20.797 1.00 0.00 C ATOM 1349 CG PHE A 90 -7.169 -0.919 -20.697 1.00 0.00 C ATOM 1350 CD1 PHE A 90 -6.236 -1.648 -19.934 1.00 0.00 C ATOM 1351 CD2 PHE A 90 -6.769 0.273 -21.335 1.00 0.00 C ATOM 1352 CE1 PHE A 90 -4.916 -1.181 -19.802 1.00 0.00 C ATOM 1353 CE2 PHE A 90 -5.450 0.741 -21.196 1.00 0.00 C ATOM 1354 CZ PHE A 90 -4.524 0.015 -20.430 1.00 0.00 C ATOM 0 H PHE A 90 -10.957 -2.017 -20.669 1.00 0.00 H new ATOM 0 HA PHE A 90 -9.072 -1.340 -18.697 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -8.619 -2.481 -20.858 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -9.040 -1.018 -21.725 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -6.535 -2.566 -19.450 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -7.477 0.828 -21.932 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -4.202 -1.742 -19.217 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -5.149 1.659 -21.679 1.00 0.00 H new ATOM 0 HZ PHE A 90 -3.511 0.375 -20.323 1.00 0.00 H new ATOM 1364 N LYS A 91 -8.562 1.142 -18.789 1.00 0.00 N ATOM 1365 CA LYS A 91 -8.274 2.572 -18.726 1.00 0.00 C ATOM 1366 C LYS A 91 -6.784 2.705 -18.406 1.00 0.00 C ATOM 1367 O LYS A 91 -6.262 1.847 -17.690 1.00 0.00 O ATOM 1368 CB LYS A 91 -9.142 3.251 -17.647 1.00 0.00 C ATOM 1369 CG LYS A 91 -10.237 4.123 -18.288 1.00 0.00 C ATOM 1370 CD LYS A 91 -11.532 4.170 -17.467 1.00 0.00 C ATOM 1371 CE LYS A 91 -12.309 2.838 -17.444 1.00 0.00 C ATOM 1372 NZ LYS A 91 -12.730 2.387 -18.794 1.00 0.00 N ATOM 0 H LYS A 91 -7.921 0.590 -18.220 1.00 0.00 H new ATOM 0 HA LYS A 91 -8.507 3.065 -19.670 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -9.601 2.492 -17.014 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -8.513 3.866 -17.003 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -9.857 5.137 -18.414 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -10.460 3.741 -19.284 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -11.291 4.456 -16.443 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -12.178 4.949 -17.871 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -11.686 2.068 -16.988 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -13.191 2.949 -16.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -13.475 1.667 -18.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -13.096 3.198 -19.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -11.914 1.980 -19.294 1.00 0.00 H new ATOM 1386 N PRO A 92 -6.089 3.737 -18.912 1.00 0.00 N ATOM 1387 CA PRO A 92 -4.682 3.948 -18.606 1.00 0.00 C ATOM 1388 C PRO A 92 -4.518 4.431 -17.161 1.00 0.00 C ATOM 1389 O PRO A 92 -5.429 5.028 -16.577 1.00 0.00 O ATOM 1390 CB PRO A 92 -4.201 4.991 -19.621 1.00 0.00 C ATOM 1391 CG PRO A 92 -5.460 5.806 -19.917 1.00 0.00 C ATOM 1392 CD PRO A 92 -6.583 4.774 -19.807 1.00 0.00 C ATOM 0 HA PRO A 92 -4.095 3.033 -18.682 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -3.406 5.614 -19.211 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -3.805 4.522 -20.522 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -5.590 6.619 -19.203 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -5.423 6.256 -20.909 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -7.493 5.228 -19.414 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -6.830 4.360 -20.785 1.00 0.00 H new ATOM 1400 N LYS A 93 -3.320 4.240 -16.599 1.00 0.00 N ATOM 1401 CA LYS A 93 -2.996 4.650 -15.238 1.00 0.00 C ATOM 1402 C LYS A 93 -3.175 6.152 -15.048 1.00 0.00 C ATOM 1403 O LYS A 93 -3.560 6.574 -13.966 1.00 0.00 O ATOM 1404 CB LYS A 93 -1.563 4.194 -14.924 1.00 0.00 C ATOM 1405 CG LYS A 93 -1.160 4.373 -13.449 1.00 0.00 C ATOM 1406 CD LYS A 93 0.111 5.218 -13.310 1.00 0.00 C ATOM 1407 CE LYS A 93 -0.137 6.708 -13.590 1.00 0.00 C ATOM 1408 NZ LYS A 93 1.086 7.517 -13.365 1.00 0.00 N ATOM 0 H LYS A 93 -2.543 3.791 -17.085 1.00 0.00 H new ATOM 0 HA LYS A 93 -3.684 4.178 -14.537 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -1.459 3.143 -15.194 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -0.869 4.754 -15.551 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -1.975 4.849 -12.904 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -0.999 3.396 -12.994 1.00 0.00 H new ATOM 0 HD2 LYS A 93 0.511 5.103 -12.303 1.00 0.00 H new ATOM 0 HD3 LYS A 93 0.869 4.844 -13.998 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -0.473 6.834 -14.619 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -0.938 7.071 -12.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 0.923 8.491 -13.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 1.315 7.525 -12.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 1.879 7.103 -13.895 1.00 0.00 H new ATOM 1422 N GLU A 94 -2.908 6.971 -16.066 1.00 0.00 N ATOM 1423 CA GLU A 94 -3.045 8.425 -15.958 1.00 0.00 C ATOM 1424 C GLU A 94 -4.498 8.847 -15.724 1.00 0.00 C ATOM 1425 O GLU A 94 -4.765 9.726 -14.900 1.00 0.00 O ATOM 1426 CB GLU A 94 -2.467 9.113 -17.204 1.00 0.00 C ATOM 1427 CG GLU A 94 -0.950 8.904 -17.332 1.00 0.00 C ATOM 1428 CD GLU A 94 -0.377 9.654 -18.549 1.00 0.00 C ATOM 1429 OE1 GLU A 94 0.031 10.831 -18.409 1.00 0.00 O ATOM 1430 OE2 GLU A 94 -0.307 9.071 -19.655 1.00 0.00 O ATOM 0 H GLU A 94 -2.593 6.649 -16.981 1.00 0.00 H new ATOM 0 HA GLU A 94 -2.474 8.746 -15.086 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -2.962 8.724 -18.094 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -2.682 10.181 -17.160 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -0.456 9.251 -16.424 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -0.735 7.839 -17.425 1.00 0.00 H new ATOM 1437 N ALA A 95 -5.445 8.193 -16.395 1.00 0.00 N ATOM 1438 CA ALA A 95 -6.862 8.430 -16.185 1.00 0.00 C ATOM 1439 C ALA A 95 -7.299 7.875 -14.833 1.00 0.00 C ATOM 1440 O ALA A 95 -8.069 8.507 -14.113 1.00 0.00 O ATOM 1441 CB ALA A 95 -7.640 7.735 -17.297 1.00 0.00 C ATOM 0 H ALA A 95 -5.245 7.483 -17.100 1.00 0.00 H new ATOM 0 HA ALA A 95 -7.057 9.502 -16.199 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -8.707 7.903 -17.154 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -7.335 8.139 -18.262 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -7.435 6.665 -17.271 1.00 0.00 H new ATOM 1447 N LEU A 96 -6.802 6.691 -14.475 1.00 0.00 N ATOM 1448 CA LEU A 96 -7.173 6.028 -13.239 1.00 0.00 C ATOM 1449 C LEU A 96 -6.665 6.813 -12.030 1.00 0.00 C ATOM 1450 O LEU A 96 -7.404 6.974 -11.062 1.00 0.00 O ATOM 1451 CB LEU A 96 -6.644 4.590 -13.272 1.00 0.00 C ATOM 1452 CG LEU A 96 -7.034 3.746 -12.048 1.00 0.00 C ATOM 1453 CD1 LEU A 96 -8.541 3.753 -11.757 1.00 0.00 C ATOM 1454 CD2 LEU A 96 -6.561 2.310 -12.299 1.00 0.00 C ATOM 0 H LEU A 96 -6.131 6.170 -15.039 1.00 0.00 H new ATOM 0 HA LEU A 96 -8.258 5.990 -13.143 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -7.016 4.099 -14.171 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -5.557 4.616 -13.349 1.00 0.00 H new ATOM 0 HG LEU A 96 -6.556 4.182 -11.171 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -8.745 3.138 -10.881 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -8.870 4.775 -11.568 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -9.079 3.352 -12.616 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -6.824 1.686 -11.445 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -7.042 1.920 -13.196 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -5.480 2.302 -12.435 1.00 0.00 H new ATOM 1466 N GLN A 97 -5.447 7.361 -12.083 1.00 0.00 N ATOM 1467 CA GLN A 97 -4.943 8.184 -10.989 1.00 0.00 C ATOM 1468 C GLN A 97 -5.708 9.502 -10.927 1.00 0.00 C ATOM 1469 O GLN A 97 -5.899 10.032 -9.837 1.00 0.00 O ATOM 1470 CB GLN A 97 -3.416 8.370 -11.033 1.00 0.00 C ATOM 1471 CG GLN A 97 -2.864 9.266 -12.146 1.00 0.00 C ATOM 1472 CD GLN A 97 -3.023 10.773 -11.923 1.00 0.00 C ATOM 1473 OE1 GLN A 97 -2.578 11.325 -10.920 1.00 0.00 O ATOM 1474 NE2 GLN A 97 -3.646 11.470 -12.860 1.00 0.00 N ATOM 0 H GLN A 97 -4.801 7.249 -12.864 1.00 0.00 H new ATOM 0 HA GLN A 97 -5.127 7.652 -10.056 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -3.095 8.780 -10.075 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -2.956 7.386 -11.128 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -1.804 9.046 -12.273 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -3.359 9.001 -13.080 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -4.011 10.999 -13.688 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -3.761 12.478 -12.754 1.00 0.00 H new ATOM 1483 N GLU A 98 -6.179 10.022 -12.067 1.00 0.00 N ATOM 1484 CA GLU A 98 -6.979 11.236 -12.081 1.00 0.00 C ATOM 1485 C GLU A 98 -8.288 10.946 -11.348 1.00 0.00 C ATOM 1486 O GLU A 98 -8.646 11.679 -10.427 1.00 0.00 O ATOM 1487 CB GLU A 98 -7.190 11.734 -13.522 1.00 0.00 C ATOM 1488 CG GLU A 98 -8.048 13.003 -13.573 1.00 0.00 C ATOM 1489 CD GLU A 98 -8.120 13.581 -14.997 1.00 0.00 C ATOM 1490 OE1 GLU A 98 -9.006 13.172 -15.781 1.00 0.00 O ATOM 1491 OE2 GLU A 98 -7.306 14.467 -15.342 1.00 0.00 O ATOM 0 H GLU A 98 -6.016 9.615 -12.988 1.00 0.00 H new ATOM 0 HA GLU A 98 -6.466 12.047 -11.564 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -6.222 11.933 -13.982 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -7.667 10.950 -14.110 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -9.054 12.777 -13.220 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -7.633 13.751 -12.897 1.00 0.00 H new ATOM 1498 N LEU A 99 -8.937 9.829 -11.681 1.00 0.00 N ATOM 1499 CA LEU A 99 -10.176 9.400 -11.041 1.00 0.00 C ATOM 1500 C LEU A 99 -9.970 9.242 -9.534 1.00 0.00 C ATOM 1501 O LEU A 99 -10.767 9.749 -8.748 1.00 0.00 O ATOM 1502 CB LEU A 99 -10.663 8.090 -11.688 1.00 0.00 C ATOM 1503 CG LEU A 99 -11.966 7.531 -11.080 1.00 0.00 C ATOM 1504 CD1 LEU A 99 -13.141 8.500 -11.246 1.00 0.00 C ATOM 1505 CD2 LEU A 99 -12.309 6.196 -11.751 1.00 0.00 C ATOM 0 H LEU A 99 -8.612 9.193 -12.409 1.00 0.00 H new ATOM 0 HA LEU A 99 -10.944 10.159 -11.187 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -10.816 8.259 -12.754 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -9.879 7.338 -11.594 1.00 0.00 H new ATOM 0 HG LEU A 99 -11.800 7.390 -10.012 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -14.037 8.065 -10.803 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -12.910 9.441 -10.747 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -13.313 8.685 -12.306 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -13.229 5.799 -11.323 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -12.444 6.351 -12.821 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -11.497 5.487 -11.587 1.00 0.00 H new ATOM 1517 N VAL A 100 -8.888 8.580 -9.120 1.00 0.00 N ATOM 1518 CA VAL A 100 -8.580 8.372 -7.713 1.00 0.00 C ATOM 1519 C VAL A 100 -8.362 9.716 -7.021 1.00 0.00 C ATOM 1520 O VAL A 100 -8.975 9.960 -5.985 1.00 0.00 O ATOM 1521 CB VAL A 100 -7.381 7.412 -7.583 1.00 0.00 C ATOM 1522 CG1 VAL A 100 -6.721 7.438 -6.195 1.00 0.00 C ATOM 1523 CG2 VAL A 100 -7.858 5.985 -7.891 1.00 0.00 C ATOM 0 H VAL A 100 -8.202 8.174 -9.756 1.00 0.00 H new ATOM 0 HA VAL A 100 -9.420 7.898 -7.204 1.00 0.00 H new ATOM 0 HB VAL A 100 -6.624 7.745 -8.293 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -5.885 6.739 -6.176 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -6.357 8.444 -5.984 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -7.452 7.150 -5.439 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -7.020 5.294 -7.803 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -8.638 5.701 -7.184 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -8.256 5.945 -8.905 1.00 0.00 H new ATOM 1533 N ASN A 101 -7.538 10.611 -7.579 1.00 0.00 N ATOM 1534 CA ASN A 101 -7.217 11.874 -6.914 1.00 0.00 C ATOM 1535 C ASN A 101 -8.445 12.775 -6.759 1.00 0.00 C ATOM 1536 O ASN A 101 -8.510 13.551 -5.808 1.00 0.00 O ATOM 1537 CB ASN A 101 -6.020 12.592 -7.565 1.00 0.00 C ATOM 1538 CG ASN A 101 -6.376 13.863 -8.331 1.00 0.00 C ATOM 1539 OD1 ASN A 101 -6.138 14.972 -7.866 1.00 0.00 O ATOM 1540 ND2 ASN A 101 -6.936 13.729 -9.521 1.00 0.00 N ATOM 0 H ASN A 101 -7.085 10.483 -8.484 1.00 0.00 H new ATOM 0 HA ASN A 101 -6.898 11.624 -5.902 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -5.298 12.843 -6.788 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -5.526 11.900 -8.247 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -7.177 14.556 -10.067 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -7.127 12.799 -9.893 1.00 0.00 H new ATOM 1547 N LYS A 102 -9.440 12.642 -7.642 1.00 0.00 N ATOM 1548 CA LYS A 102 -10.730 13.314 -7.482 1.00 0.00 C ATOM 1549 C LYS A 102 -11.524 12.761 -6.289 1.00 0.00 C ATOM 1550 O LYS A 102 -12.292 13.516 -5.691 1.00 0.00 O ATOM 1551 CB LYS A 102 -11.551 13.212 -8.779 1.00 0.00 C ATOM 1552 CG LYS A 102 -10.967 14.090 -9.902 1.00 0.00 C ATOM 1553 CD LYS A 102 -11.609 13.823 -11.271 1.00 0.00 C ATOM 1554 CE LYS A 102 -13.107 14.164 -11.287 1.00 0.00 C ATOM 1555 NZ LYS A 102 -13.712 13.985 -12.630 1.00 0.00 N ATOM 0 H LYS A 102 -9.373 12.068 -8.483 1.00 0.00 H new ATOM 0 HA LYS A 102 -10.529 14.365 -7.273 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -11.580 12.174 -9.109 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -12.580 13.513 -8.581 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -11.103 15.140 -9.642 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -9.893 13.915 -9.971 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -11.096 14.412 -12.032 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -11.474 12.774 -11.535 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -13.629 13.531 -10.569 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -13.246 15.195 -10.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -14.723 14.227 -12.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -13.233 14.607 -13.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -13.605 12.995 -12.930 1.00 0.00 H new ATOM 1569 N HIS A 103 -11.358 11.484 -5.929 1.00 0.00 N ATOM 1570 CA HIS A 103 -12.059 10.860 -4.805 1.00 0.00 C ATOM 1571 C HIS A 103 -11.292 10.963 -3.481 1.00 0.00 C ATOM 1572 O HIS A 103 -11.922 10.838 -2.428 1.00 0.00 O ATOM 1573 CB HIS A 103 -12.368 9.387 -5.118 1.00 0.00 C ATOM 1574 CG HIS A 103 -13.453 9.203 -6.150 1.00 0.00 C ATOM 1575 ND1 HIS A 103 -14.775 9.579 -6.024 1.00 0.00 N ATOM 1576 CD2 HIS A 103 -13.325 8.591 -7.366 1.00 0.00 C ATOM 1577 CE1 HIS A 103 -15.420 9.202 -7.140 1.00 0.00 C ATOM 1578 NE2 HIS A 103 -14.577 8.596 -7.993 1.00 0.00 N ATOM 0 H HIS A 103 -10.726 10.849 -6.416 1.00 0.00 H new ATOM 0 HA HIS A 103 -12.988 11.415 -4.676 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -11.458 8.900 -5.469 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -12.664 8.883 -4.198 1.00 0.00 H new ATOM 0 HD1 HIS A 103 -15.189 10.058 -5.225 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -12.415 8.175 -7.773 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -16.471 9.364 -7.326 1.00 0.00 H new ATOM 1586 N LEU A 104 -9.969 11.174 -3.498 1.00 0.00 N ATOM 1587 CA LEU A 104 -9.167 11.382 -2.288 1.00 0.00 C ATOM 1588 C LEU A 104 -9.757 12.524 -1.464 1.00 0.00 C ATOM 1589 O LEU A 104 -9.962 13.625 -2.017 1.00 0.00 O ATOM 1590 CB LEU A 104 -7.686 11.668 -2.605 1.00 0.00 C ATOM 1591 CG LEU A 104 -6.867 10.496 -3.180 1.00 0.00 C ATOM 1592 CD1 LEU A 104 -5.427 10.960 -3.409 1.00 0.00 C ATOM 1593 CD2 LEU A 104 -6.856 9.259 -2.274 1.00 0.00 C ATOM 1594 OXT LEU A 104 -10.001 12.314 -0.259 1.00 0.00 O ATOM 0 H LEU A 104 -9.423 11.205 -4.359 1.00 0.00 H new ATOM 0 HA LEU A 104 -9.199 10.456 -1.714 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -7.642 12.495 -3.314 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -7.201 12.007 -1.690 1.00 0.00 H new ATOM 0 HG LEU A 104 -7.345 10.201 -4.114 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -4.840 10.137 -3.816 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -5.421 11.793 -4.112 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -4.993 11.282 -2.462 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -6.262 8.473 -2.739 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -6.422 9.519 -1.309 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -7.877 8.905 -2.129 1.00 0.00 H new TER 1606 LEU A 104