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 101 ASN : amide:sc= 0.117 K(o=2.2,f=-10!) USER MOD Set 1.2: A 102 LYS NZ :NH3+ -137:sc= 2.13 (180deg=0.816) USER MOD Set 2.1: A 7 THR OG1 : rot 102:sc= 1.2 USER MOD Set 2.2: A 9 GLN : amide:sc= 0.603 K(o=1.8,f=-2.9!) USER MOD Single : A 1 MET CE :methyl 174:sc= 0 (180deg=-0.0252) USER MOD Single : A 1 MET N :NH3+ 164:sc= 1.15 (180deg=0.802) USER MOD Single : A 5 LYS NZ :NH3+ 162:sc= 1.08 (180deg=0.84) 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 -84:sc= 1.3 USER MOD Single : A 16 SER OG : rot 83:sc= 1.24 USER MOD Single : A 29 CYS SG : rot 150:sc= -0.391 USER MOD Single : A 32 CYS SG : rot -100:sc= -0.832 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= 0.29 X(o=0.29,f=0) USER MOD Single : A 46 MET CE :methyl 175:sc= -0.313 (180deg=-0.406) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 173:sc= 3.71 (180deg=3.51) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 1.25 (180deg=1.25) USER MOD Single : A 60 ASN : amide:sc= 0.887 K(o=0.89,f=-7.2!) USER MOD Single : A 61 GLN : amide:sc= -1.05 K(o=-1.1,f=-5.7!) USER MOD Single : A 63 THR OG1 : rot -65:sc= 0.746 USER MOD Single : A 66 LYS NZ :NH3+ -160:sc= 1.15 (180deg=0.879) USER MOD Single : A 67 TYR OH : rot -133:sc= 1.13 USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 121:sc= 1.26 USER MOD Single : A 79 LYS NZ :NH3+ -158:sc= 2.01 (180deg=1.3) 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+ -138:sc= 2.19 (180deg=0.261) USER MOD Single : A 93 LYS NZ :NH3+ 174:sc= 1.24 (180deg=1.18) USER MOD Single : A 97 GLN : amide:sc= 0.684 K(o=0.68,f=-0.17) USER MOD Single : A 103 HIS : no HE2:sc= -0.0116 X(o=-0.012,f=-0.051) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.959 0.083 -2.326 1.00 0.00 N ATOM 2 CA MET A 1 2.461 -0.863 -1.307 1.00 0.00 C ATOM 3 C MET A 1 2.379 -2.292 -1.859 1.00 0.00 C ATOM 4 O MET A 1 3.390 -2.818 -2.330 1.00 0.00 O ATOM 5 CB MET A 1 1.737 -0.682 0.046 1.00 0.00 C ATOM 6 CG MET A 1 2.310 -1.589 1.146 1.00 0.00 C ATOM 7 SD MET A 1 1.535 -1.408 2.780 1.00 0.00 S ATOM 8 CE MET A 1 -0.094 -2.148 2.467 1.00 0.00 C ATOM 0 H1 MET A 1 1.757 1.000 -1.879 1.00 0.00 H new ATOM 0 H2 MET A 1 2.679 0.210 -3.066 1.00 0.00 H new ATOM 0 H3 MET A 1 1.088 -0.295 -2.751 1.00 0.00 H new ATOM 0 HA MET A 1 3.509 -0.651 -1.096 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.816 0.359 0.360 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.676 -0.897 -0.082 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.211 -2.627 0.827 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.377 -1.386 1.243 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.651 -2.210 3.402 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.644 -1.530 1.757 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.034 -3.149 2.054 1.00 0.00 H new ATOM 20 N ALA A 2 1.202 -2.924 -1.795 1.00 0.00 N ATOM 21 CA ALA A 2 0.873 -4.182 -2.447 1.00 0.00 C ATOM 22 C ALA A 2 -0.647 -4.213 -2.590 1.00 0.00 C ATOM 23 O ALA A 2 -1.368 -3.692 -1.733 1.00 0.00 O ATOM 24 CB ALA A 2 1.346 -5.371 -1.599 1.00 0.00 C ATOM 0 H ALA A 2 0.420 -2.548 -1.259 1.00 0.00 H new ATOM 0 HA ALA A 2 1.366 -4.257 -3.416 1.00 0.00 H new ATOM 0 HB1 ALA A 2 1.090 -6.303 -2.104 1.00 0.00 H new ATOM 0 HB2 ALA A 2 2.426 -5.315 -1.465 1.00 0.00 H new ATOM 0 HB3 ALA A 2 0.858 -5.340 -0.625 1.00 0.00 H new ATOM 30 N ILE A 3 -1.126 -4.836 -3.663 1.00 0.00 N ATOM 31 CA ILE A 3 -2.547 -4.969 -3.941 1.00 0.00 C ATOM 32 C ILE A 3 -3.099 -6.049 -3.003 1.00 0.00 C ATOM 33 O ILE A 3 -2.422 -7.039 -2.703 1.00 0.00 O ATOM 34 CB ILE A 3 -2.723 -5.289 -5.444 1.00 0.00 C ATOM 35 CG1 ILE A 3 -2.210 -4.081 -6.265 1.00 0.00 C ATOM 36 CG2 ILE A 3 -4.184 -5.625 -5.799 1.00 0.00 C ATOM 37 CD1 ILE A 3 -2.192 -4.305 -7.773 1.00 0.00 C ATOM 0 H ILE A 3 -0.529 -5.266 -4.370 1.00 0.00 H new ATOM 0 HA ILE A 3 -3.109 -4.054 -3.753 1.00 0.00 H new ATOM 0 HB ILE A 3 -2.141 -6.178 -5.688 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -2.837 -3.216 -6.046 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -1.201 -3.835 -5.935 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.259 -5.843 -6.864 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -4.506 -6.495 -5.227 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -4.822 -4.775 -5.557 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -1.819 -3.409 -8.269 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -1.541 -5.147 -8.008 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -3.203 -4.519 -8.121 1.00 0.00 H new ATOM 49 N VAL A 4 -4.337 -5.865 -2.557 1.00 0.00 N ATOM 50 CA VAL A 4 -5.006 -6.706 -1.574 1.00 0.00 C ATOM 51 C VAL A 4 -6.009 -7.581 -2.338 1.00 0.00 C ATOM 52 O VAL A 4 -6.267 -7.364 -3.525 1.00 0.00 O ATOM 53 CB VAL A 4 -5.626 -5.795 -0.483 1.00 0.00 C ATOM 54 CG1 VAL A 4 -6.269 -6.566 0.682 1.00 0.00 C ATOM 55 CG2 VAL A 4 -4.568 -4.850 0.124 1.00 0.00 C ATOM 0 H VAL A 4 -4.923 -5.097 -2.883 1.00 0.00 H new ATOM 0 HA VAL A 4 -4.333 -7.379 -1.043 1.00 0.00 H new ATOM 0 HB VAL A 4 -6.405 -5.239 -1.005 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -6.680 -5.859 1.403 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -7.068 -7.201 0.301 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -5.515 -7.184 1.169 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -5.033 -4.224 0.886 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -3.770 -5.439 0.576 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -4.152 -4.218 -0.660 1.00 0.00 H new ATOM 65 N LYS A 5 -6.559 -8.606 -1.691 1.00 0.00 N ATOM 66 CA LYS A 5 -7.501 -9.547 -2.289 1.00 0.00 C ATOM 67 C LYS A 5 -8.600 -9.773 -1.263 1.00 0.00 C ATOM 68 O LYS A 5 -8.293 -9.885 -0.073 1.00 0.00 O ATOM 69 CB LYS A 5 -6.804 -10.878 -2.650 1.00 0.00 C ATOM 70 CG LYS A 5 -5.670 -10.745 -3.685 1.00 0.00 C ATOM 71 CD LYS A 5 -4.275 -10.517 -3.076 1.00 0.00 C ATOM 72 CE LYS A 5 -3.283 -10.122 -4.179 1.00 0.00 C ATOM 73 NZ LYS A 5 -1.968 -9.705 -3.631 1.00 0.00 N ATOM 0 H LYS A 5 -6.356 -8.810 -0.712 1.00 0.00 H new ATOM 0 HA LYS A 5 -7.909 -9.148 -3.218 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.398 -11.320 -1.740 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -7.551 -11.572 -3.035 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -5.643 -11.648 -4.295 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -5.901 -9.916 -4.354 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -4.322 -9.734 -2.319 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -3.934 -11.423 -2.576 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -3.141 -10.965 -4.856 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -3.704 -9.307 -4.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -1.251 -9.742 -4.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -2.036 -8.734 -3.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -1.694 -10.347 -2.860 1.00 0.00 H new ATOM 87 N ALA A 6 -9.858 -9.824 -1.700 1.00 0.00 N ATOM 88 CA ALA A 6 -10.997 -10.024 -0.809 1.00 0.00 C ATOM 89 C ALA A 6 -12.092 -10.860 -1.472 1.00 0.00 C ATOM 90 O ALA A 6 -12.060 -11.108 -2.679 1.00 0.00 O ATOM 91 CB ALA A 6 -11.552 -8.665 -0.361 1.00 0.00 C ATOM 0 H ALA A 6 -10.115 -9.728 -2.682 1.00 0.00 H new ATOM 0 HA ALA A 6 -10.651 -10.577 0.065 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -12.402 -8.820 0.304 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -10.775 -8.111 0.166 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -11.873 -8.097 -1.234 1.00 0.00 H new ATOM 97 N THR A 7 -13.077 -11.264 -0.670 1.00 0.00 N ATOM 98 CA THR A 7 -14.250 -12.022 -1.080 1.00 0.00 C ATOM 99 C THR A 7 -15.467 -11.409 -0.370 1.00 0.00 C ATOM 100 O THR A 7 -15.280 -10.555 0.499 1.00 0.00 O ATOM 101 CB THR A 7 -14.046 -13.514 -0.731 1.00 0.00 C ATOM 102 OG1 THR A 7 -13.804 -13.691 0.650 1.00 0.00 O ATOM 103 CG2 THR A 7 -12.876 -14.157 -1.481 1.00 0.00 C ATOM 0 H THR A 7 -13.075 -11.060 0.329 1.00 0.00 H new ATOM 0 HA THR A 7 -14.412 -11.971 -2.157 1.00 0.00 H new ATOM 0 HB THR A 7 -14.974 -13.999 -1.033 1.00 0.00 H new ATOM 0 HG1 THR A 7 -14.620 -14.013 1.087 1.00 0.00 H new ATOM 0 HG21 THR A 7 -12.788 -15.204 -1.190 1.00 0.00 H new ATOM 0 HG22 THR A 7 -13.053 -14.093 -2.555 1.00 0.00 H new ATOM 0 HG23 THR A 7 -11.953 -13.633 -1.233 1.00 0.00 H new ATOM 111 N ASP A 8 -16.699 -11.836 -0.672 1.00 0.00 N ATOM 112 CA ASP A 8 -17.929 -11.285 -0.075 1.00 0.00 C ATOM 113 C ASP A 8 -17.870 -11.210 1.456 1.00 0.00 C ATOM 114 O ASP A 8 -18.437 -10.307 2.071 1.00 0.00 O ATOM 115 CB ASP A 8 -19.155 -12.136 -0.444 1.00 0.00 C ATOM 116 CG ASP A 8 -20.438 -11.367 -0.082 1.00 0.00 C ATOM 117 OD1 ASP A 8 -20.634 -10.246 -0.614 1.00 0.00 O ATOM 118 OD2 ASP A 8 -21.247 -11.882 0.723 1.00 0.00 O ATOM 0 H ASP A 8 -16.876 -12.582 -1.345 1.00 0.00 H new ATOM 0 HA ASP A 8 -18.016 -10.277 -0.480 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -19.144 -12.367 -1.509 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -19.125 -13.087 0.088 1.00 0.00 H new ATOM 123 N GLN A 9 -17.159 -12.166 2.060 1.00 0.00 N ATOM 124 CA GLN A 9 -16.982 -12.325 3.494 1.00 0.00 C ATOM 125 C GLN A 9 -16.233 -11.147 4.135 1.00 0.00 C ATOM 126 O GLN A 9 -16.501 -10.836 5.300 1.00 0.00 O ATOM 127 CB GLN A 9 -16.224 -13.639 3.766 1.00 0.00 C ATOM 128 CG GLN A 9 -17.004 -14.918 3.388 1.00 0.00 C ATOM 129 CD GLN A 9 -17.111 -15.176 1.881 1.00 0.00 C ATOM 130 OE1 GLN A 9 -16.255 -14.759 1.106 1.00 0.00 O ATOM 131 NE2 GLN A 9 -18.163 -15.831 1.416 1.00 0.00 N ATOM 0 H GLN A 9 -16.668 -12.885 1.528 1.00 0.00 H new ATOM 0 HA GLN A 9 -17.973 -12.352 3.948 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -15.285 -13.624 3.212 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -15.968 -13.684 4.825 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -16.520 -15.775 3.857 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -18.009 -14.852 3.805 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -18.874 -16.177 2.060 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -18.263 -15.990 0.413 1.00 0.00 H new ATOM 140 N SER A 10 -15.324 -10.490 3.404 1.00 0.00 N ATOM 141 CA SER A 10 -14.403 -9.499 3.978 1.00 0.00 C ATOM 142 C SER A 10 -14.208 -8.252 3.110 1.00 0.00 C ATOM 143 O SER A 10 -13.564 -7.302 3.552 1.00 0.00 O ATOM 144 CB SER A 10 -13.048 -10.166 4.263 1.00 0.00 C ATOM 145 OG SER A 10 -13.197 -11.368 5.008 1.00 0.00 O ATOM 0 H SER A 10 -15.206 -10.629 2.401 1.00 0.00 H new ATOM 0 HA SER A 10 -14.861 -9.147 4.902 1.00 0.00 H new ATOM 0 HB2 SER A 10 -12.544 -10.382 3.321 1.00 0.00 H new ATOM 0 HB3 SER A 10 -12.411 -9.474 4.814 1.00 0.00 H new ATOM 0 HG SER A 10 -12.315 -11.765 5.169 1.00 0.00 H new ATOM 151 N PHE A 11 -14.783 -8.210 1.905 1.00 0.00 N ATOM 152 CA PHE A 11 -14.718 -7.061 1.009 1.00 0.00 C ATOM 153 C PHE A 11 -15.218 -5.797 1.709 1.00 0.00 C ATOM 154 O PHE A 11 -14.648 -4.722 1.523 1.00 0.00 O ATOM 155 CB PHE A 11 -15.554 -7.368 -0.241 1.00 0.00 C ATOM 156 CG PHE A 11 -15.505 -6.302 -1.315 1.00 0.00 C ATOM 157 CD1 PHE A 11 -16.441 -5.249 -1.326 1.00 0.00 C ATOM 158 CD2 PHE A 11 -14.526 -6.376 -2.321 1.00 0.00 C ATOM 159 CE1 PHE A 11 -16.403 -4.287 -2.350 1.00 0.00 C ATOM 160 CE2 PHE A 11 -14.499 -5.423 -3.349 1.00 0.00 C ATOM 161 CZ PHE A 11 -15.444 -4.381 -3.371 1.00 0.00 C ATOM 0 H PHE A 11 -15.316 -8.990 1.521 1.00 0.00 H new ATOM 0 HA PHE A 11 -13.683 -6.879 0.718 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -15.211 -8.310 -0.668 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -16.592 -7.514 0.060 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -17.187 -5.181 -0.548 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -13.793 -7.169 -2.302 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -17.113 -3.473 -2.351 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -13.751 -5.489 -4.126 1.00 0.00 H new ATOM 0 HZ PHE A 11 -15.432 -3.656 -4.171 1.00 0.00 H new ATOM 171 N SER A 12 -16.249 -5.923 2.544 1.00 0.00 N ATOM 172 CA SER A 12 -16.817 -4.822 3.299 1.00 0.00 C ATOM 173 C SER A 12 -15.794 -4.247 4.272 1.00 0.00 C ATOM 174 O SER A 12 -15.537 -3.043 4.263 1.00 0.00 O ATOM 175 CB SER A 12 -18.080 -5.324 4.014 1.00 0.00 C ATOM 176 OG SER A 12 -17.882 -6.637 4.531 1.00 0.00 O ATOM 0 H SER A 12 -16.717 -6.813 2.713 1.00 0.00 H new ATOM 0 HA SER A 12 -17.093 -4.008 2.629 1.00 0.00 H new ATOM 0 HB2 SER A 12 -18.338 -4.644 4.826 1.00 0.00 H new ATOM 0 HB3 SER A 12 -18.920 -5.325 3.320 1.00 0.00 H new ATOM 0 HG SER A 12 -18.698 -6.937 4.984 1.00 0.00 H new ATOM 182 N ALA A 13 -15.167 -5.109 5.073 1.00 0.00 N ATOM 183 CA ALA A 13 -14.146 -4.706 6.026 1.00 0.00 C ATOM 184 C ALA A 13 -12.984 -4.028 5.296 1.00 0.00 C ATOM 185 O ALA A 13 -12.516 -2.974 5.725 1.00 0.00 O ATOM 186 CB ALA A 13 -13.662 -5.923 6.822 1.00 0.00 C ATOM 0 H ALA A 13 -15.358 -6.111 5.075 1.00 0.00 H new ATOM 0 HA ALA A 13 -14.572 -3.988 6.727 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -12.897 -5.612 7.534 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -14.501 -6.363 7.361 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -13.243 -6.661 6.139 1.00 0.00 H new ATOM 192 N GLU A 14 -12.542 -4.601 4.173 1.00 0.00 N ATOM 193 CA GLU A 14 -11.414 -4.075 3.419 1.00 0.00 C ATOM 194 C GLU A 14 -11.736 -2.709 2.821 1.00 0.00 C ATOM 195 O GLU A 14 -10.877 -1.827 2.839 1.00 0.00 O ATOM 196 CB GLU A 14 -10.983 -5.058 2.318 1.00 0.00 C ATOM 197 CG GLU A 14 -10.266 -6.290 2.890 1.00 0.00 C ATOM 198 CD GLU A 14 -8.929 -5.984 3.597 1.00 0.00 C ATOM 199 OE1 GLU A 14 -8.363 -4.883 3.408 1.00 0.00 O ATOM 200 OE2 GLU A 14 -8.442 -6.854 4.354 1.00 0.00 O ATOM 0 H GLU A 14 -12.958 -5.439 3.767 1.00 0.00 H new ATOM 0 HA GLU A 14 -10.583 -3.951 4.113 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -11.860 -5.378 1.755 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -10.323 -4.548 1.616 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -10.931 -6.785 3.597 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -10.080 -6.995 2.080 1.00 0.00 H new ATOM 207 N THR A 15 -12.960 -2.499 2.335 1.00 0.00 N ATOM 208 CA THR A 15 -13.361 -1.240 1.727 1.00 0.00 C ATOM 209 C THR A 15 -13.681 -0.156 2.770 1.00 0.00 C ATOM 210 O THR A 15 -14.007 0.970 2.391 1.00 0.00 O ATOM 211 CB THR A 15 -14.479 -1.478 0.695 1.00 0.00 C ATOM 212 OG1 THR A 15 -15.550 -2.236 1.212 1.00 0.00 O ATOM 213 CG2 THR A 15 -13.924 -2.205 -0.541 1.00 0.00 C ATOM 0 H THR A 15 -13.699 -3.202 2.354 1.00 0.00 H new ATOM 0 HA THR A 15 -12.512 -0.833 1.178 1.00 0.00 H new ATOM 0 HB THR A 15 -14.857 -0.491 0.427 1.00 0.00 H new ATOM 0 HG1 THR A 15 -15.336 -3.190 1.148 1.00 0.00 H new ATOM 0 HG21 THR A 15 -14.727 -2.365 -1.260 1.00 0.00 H new ATOM 0 HG22 THR A 15 -13.142 -1.599 -0.999 1.00 0.00 H new ATOM 0 HG23 THR A 15 -13.508 -3.167 -0.241 1.00 0.00 H new ATOM 221 N SER A 16 -13.538 -0.451 4.069 1.00 0.00 N ATOM 222 CA SER A 16 -13.954 0.419 5.168 1.00 0.00 C ATOM 223 C SER A 16 -12.759 1.007 5.928 1.00 0.00 C ATOM 224 O SER A 16 -12.840 1.234 7.137 1.00 0.00 O ATOM 225 CB SER A 16 -14.932 -0.325 6.090 1.00 0.00 C ATOM 226 OG SER A 16 -16.086 -0.740 5.387 1.00 0.00 O ATOM 0 H SER A 16 -13.119 -1.324 4.389 1.00 0.00 H new ATOM 0 HA SER A 16 -14.480 1.275 4.745 1.00 0.00 H new ATOM 0 HB2 SER A 16 -14.436 -1.193 6.524 1.00 0.00 H new ATOM 0 HB3 SER A 16 -15.221 0.324 6.917 1.00 0.00 H new ATOM 0 HG SER A 16 -15.902 -1.585 4.926 1.00 0.00 H new ATOM 232 N GLU A 17 -11.647 1.260 5.228 1.00 0.00 N ATOM 233 CA GLU A 17 -10.423 1.786 5.843 1.00 0.00 C ATOM 234 C GLU A 17 -9.817 2.975 5.081 1.00 0.00 C ATOM 235 O GLU A 17 -8.788 3.509 5.504 1.00 0.00 O ATOM 236 CB GLU A 17 -9.385 0.660 5.996 1.00 0.00 C ATOM 237 CG GLU A 17 -9.861 -0.497 6.886 1.00 0.00 C ATOM 238 CD GLU A 17 -8.721 -1.480 7.199 1.00 0.00 C ATOM 239 OE1 GLU A 17 -8.023 -1.921 6.257 1.00 0.00 O ATOM 240 OE2 GLU A 17 -8.518 -1.825 8.386 1.00 0.00 O ATOM 0 H GLU A 17 -11.570 1.106 4.223 1.00 0.00 H new ATOM 0 HA GLU A 17 -10.705 2.167 6.825 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -9.136 0.270 5.009 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -8.469 1.076 6.414 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -10.263 -0.098 7.817 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -10.673 -1.028 6.389 1.00 0.00 H new ATOM 247 N GLY A 18 -10.419 3.413 3.972 1.00 0.00 N ATOM 248 CA GLY A 18 -9.848 4.456 3.129 1.00 0.00 C ATOM 249 C GLY A 18 -10.545 4.501 1.782 1.00 0.00 C ATOM 250 O GLY A 18 -11.613 3.906 1.632 1.00 0.00 O ATOM 0 H GLY A 18 -11.313 3.053 3.638 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -9.942 5.422 3.625 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -8.783 4.273 2.987 1.00 0.00 H new ATOM 254 N VAL A 19 -9.975 5.226 0.817 1.00 0.00 N ATOM 255 CA VAL A 19 -10.391 5.100 -0.577 1.00 0.00 C ATOM 256 C VAL A 19 -9.869 3.732 -1.015 1.00 0.00 C ATOM 257 O VAL A 19 -8.716 3.389 -0.735 1.00 0.00 O ATOM 258 CB VAL A 19 -9.830 6.249 -1.442 1.00 0.00 C ATOM 259 CG1 VAL A 19 -10.178 6.086 -2.931 1.00 0.00 C ATOM 260 CG2 VAL A 19 -10.411 7.591 -0.979 1.00 0.00 C ATOM 0 H VAL A 19 -9.228 5.902 0.976 1.00 0.00 H new ATOM 0 HA VAL A 19 -11.472 5.170 -0.695 1.00 0.00 H new ATOM 0 HB VAL A 19 -8.747 6.221 -1.323 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -9.760 6.920 -3.496 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -9.759 5.151 -3.302 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -11.261 6.072 -3.052 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -10.008 8.394 -1.596 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -11.497 7.570 -1.074 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -10.141 7.764 0.063 1.00 0.00 H new ATOM 270 N VAL A 20 -10.699 2.946 -1.692 1.00 0.00 N ATOM 271 CA VAL A 20 -10.370 1.594 -2.095 1.00 0.00 C ATOM 272 C VAL A 20 -10.851 1.422 -3.532 1.00 0.00 C ATOM 273 O VAL A 20 -12.037 1.596 -3.822 1.00 0.00 O ATOM 274 CB VAL A 20 -10.979 0.574 -1.109 1.00 0.00 C ATOM 275 CG1 VAL A 20 -10.521 -0.841 -1.482 1.00 0.00 C ATOM 276 CG2 VAL A 20 -10.583 0.862 0.352 1.00 0.00 C ATOM 0 H VAL A 20 -11.633 3.240 -1.978 1.00 0.00 H new ATOM 0 HA VAL A 20 -9.296 1.411 -2.066 1.00 0.00 H new ATOM 0 HB VAL A 20 -12.063 0.660 -1.185 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -10.952 -1.559 -0.784 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -10.851 -1.075 -2.494 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.433 -0.896 -1.433 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -11.037 0.117 1.006 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -9.498 0.819 0.450 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -10.934 1.854 0.635 1.00 0.00 H new ATOM 286 N LEU A 21 -9.922 1.102 -4.433 1.00 0.00 N ATOM 287 CA LEU A 21 -10.211 0.765 -5.816 1.00 0.00 C ATOM 288 C LEU A 21 -10.290 -0.756 -5.882 1.00 0.00 C ATOM 289 O LEU A 21 -9.271 -1.448 -5.930 1.00 0.00 O ATOM 290 CB LEU A 21 -9.101 1.318 -6.727 1.00 0.00 C ATOM 291 CG LEU A 21 -9.270 0.979 -8.219 1.00 0.00 C ATOM 292 CD1 LEU A 21 -10.517 1.653 -8.800 1.00 0.00 C ATOM 293 CD2 LEU A 21 -8.038 1.464 -8.993 1.00 0.00 C ATOM 0 H LEU A 21 -8.927 1.071 -4.211 1.00 0.00 H new ATOM 0 HA LEU A 21 -11.148 1.204 -6.158 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -9.064 2.402 -6.616 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -8.141 0.929 -6.386 1.00 0.00 H new ATOM 0 HG LEU A 21 -9.380 -0.101 -8.313 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -10.611 1.396 -9.855 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -11.401 1.309 -8.262 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -10.428 2.734 -8.697 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -8.155 1.225 -10.050 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.935 2.543 -8.874 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -7.147 0.969 -8.606 1.00 0.00 H new ATOM 305 N ALA A 22 -11.498 -1.295 -5.819 1.00 0.00 N ATOM 306 CA ALA A 22 -11.707 -2.699 -6.086 1.00 0.00 C ATOM 307 C ALA A 22 -11.645 -2.952 -7.593 1.00 0.00 C ATOM 308 O ALA A 22 -11.902 -2.057 -8.402 1.00 0.00 O ATOM 309 CB ALA A 22 -13.043 -3.140 -5.503 1.00 0.00 C ATOM 0 H ALA A 22 -12.345 -0.777 -5.585 1.00 0.00 H new ATOM 0 HA ALA A 22 -10.921 -3.286 -5.611 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -13.197 -4.200 -5.707 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.043 -2.974 -4.426 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -13.847 -2.563 -5.959 1.00 0.00 H new ATOM 315 N ASP A 23 -11.362 -4.197 -7.956 1.00 0.00 N ATOM 316 CA ASP A 23 -11.282 -4.681 -9.324 1.00 0.00 C ATOM 317 C ASP A 23 -11.921 -6.066 -9.357 1.00 0.00 C ATOM 318 O ASP A 23 -11.329 -7.058 -8.912 1.00 0.00 O ATOM 319 CB ASP A 23 -9.824 -4.711 -9.800 1.00 0.00 C ATOM 320 CG ASP A 23 -9.679 -5.397 -11.168 1.00 0.00 C ATOM 321 OD1 ASP A 23 -10.566 -5.230 -12.035 1.00 0.00 O ATOM 322 OD2 ASP A 23 -8.640 -6.064 -11.378 1.00 0.00 O ATOM 0 H ASP A 23 -11.174 -4.929 -7.271 1.00 0.00 H new ATOM 0 HA ASP A 23 -11.814 -4.017 -10.005 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.442 -3.692 -9.863 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -9.213 -5.235 -9.065 1.00 0.00 H new ATOM 327 N PHE A 24 -13.180 -6.094 -9.797 1.00 0.00 N ATOM 328 CA PHE A 24 -13.899 -7.311 -10.115 1.00 0.00 C ATOM 329 C PHE A 24 -13.337 -7.830 -11.433 1.00 0.00 C ATOM 330 O PHE A 24 -13.456 -7.157 -12.462 1.00 0.00 O ATOM 331 CB PHE A 24 -15.408 -7.043 -10.208 1.00 0.00 C ATOM 332 CG PHE A 24 -16.094 -7.043 -8.858 1.00 0.00 C ATOM 333 CD1 PHE A 24 -16.463 -8.265 -8.261 1.00 0.00 C ATOM 334 CD2 PHE A 24 -16.313 -5.835 -8.170 1.00 0.00 C ATOM 335 CE1 PHE A 24 -17.056 -8.281 -6.989 1.00 0.00 C ATOM 336 CE2 PHE A 24 -16.896 -5.852 -6.890 1.00 0.00 C ATOM 337 CZ PHE A 24 -17.265 -7.074 -6.301 1.00 0.00 C ATOM 0 H PHE A 24 -13.733 -5.249 -9.943 1.00 0.00 H new ATOM 0 HA PHE A 24 -13.768 -8.058 -9.332 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -15.571 -6.080 -10.692 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -15.867 -7.801 -10.843 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -16.289 -9.193 -8.785 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -16.034 -4.896 -8.624 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -17.351 -9.218 -6.540 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -17.060 -4.926 -6.359 1.00 0.00 H new ATOM 0 HZ PHE A 24 -17.710 -7.085 -5.317 1.00 0.00 H new ATOM 347 N TRP A 25 -12.736 -9.020 -11.406 1.00 0.00 N ATOM 348 CA TRP A 25 -12.047 -9.596 -12.552 1.00 0.00 C ATOM 349 C TRP A 25 -12.357 -11.089 -12.681 1.00 0.00 C ATOM 350 O TRP A 25 -13.015 -11.684 -11.821 1.00 0.00 O ATOM 351 CB TRP A 25 -10.533 -9.332 -12.448 1.00 0.00 C ATOM 352 CG TRP A 25 -9.785 -10.189 -11.469 1.00 0.00 C ATOM 353 CD1 TRP A 25 -9.898 -10.130 -10.125 1.00 0.00 C ATOM 354 CD2 TRP A 25 -8.827 -11.261 -11.736 1.00 0.00 C ATOM 355 NE1 TRP A 25 -9.125 -11.113 -9.544 1.00 0.00 N ATOM 356 CE2 TRP A 25 -8.433 -11.837 -10.490 1.00 0.00 C ATOM 357 CE3 TRP A 25 -8.246 -11.804 -12.903 1.00 0.00 C ATOM 358 CZ2 TRP A 25 -7.527 -12.906 -10.409 1.00 0.00 C ATOM 359 CZ3 TRP A 25 -7.321 -12.864 -12.830 1.00 0.00 C ATOM 360 CH2 TRP A 25 -6.971 -13.424 -11.589 1.00 0.00 C ATOM 0 H TRP A 25 -12.716 -9.614 -10.577 1.00 0.00 H new ATOM 0 HA TRP A 25 -12.409 -9.114 -13.460 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -10.091 -9.470 -13.435 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -10.384 -8.287 -12.175 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -10.504 -9.418 -9.585 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -9.072 -11.283 -8.540 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -8.515 -11.400 -13.868 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -7.261 -13.325 -9.450 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -6.877 -13.250 -13.736 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -6.277 -14.250 -11.544 1.00 0.00 H new ATOM 371 N ALA A 26 -11.883 -11.678 -13.779 1.00 0.00 N ATOM 372 CA ALA A 26 -11.838 -13.109 -14.041 1.00 0.00 C ATOM 373 C ALA A 26 -10.672 -13.323 -15.019 1.00 0.00 C ATOM 374 O ALA A 26 -10.402 -12.426 -15.828 1.00 0.00 O ATOM 375 CB ALA A 26 -13.161 -13.591 -14.647 1.00 0.00 C ATOM 0 H ALA A 26 -11.499 -11.134 -14.552 1.00 0.00 H new ATOM 0 HA ALA A 26 -11.692 -13.679 -13.124 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -13.106 -14.663 -14.835 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -13.976 -13.386 -13.952 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -13.344 -13.067 -15.585 1.00 0.00 H new ATOM 381 N PRO A 27 -9.980 -14.473 -14.984 1.00 0.00 N ATOM 382 CA PRO A 27 -8.729 -14.663 -15.712 1.00 0.00 C ATOM 383 C PRO A 27 -8.930 -14.869 -17.215 1.00 0.00 C ATOM 384 O PRO A 27 -8.001 -14.643 -17.990 1.00 0.00 O ATOM 385 CB PRO A 27 -8.080 -15.890 -15.064 1.00 0.00 C ATOM 386 CG PRO A 27 -9.272 -16.712 -14.575 1.00 0.00 C ATOM 387 CD PRO A 27 -10.302 -15.650 -14.192 1.00 0.00 C ATOM 0 HA PRO A 27 -8.104 -13.772 -15.645 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -7.475 -16.448 -15.779 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -7.423 -15.608 -14.241 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -9.649 -17.375 -15.354 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -9.006 -17.339 -13.724 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -11.314 -15.996 -14.401 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -10.255 -15.428 -13.126 1.00 0.00 H new ATOM 395 N TRP A 28 -10.119 -15.297 -17.647 1.00 0.00 N ATOM 396 CA TRP A 28 -10.397 -15.605 -19.045 1.00 0.00 C ATOM 397 C TRP A 28 -10.636 -14.344 -19.889 1.00 0.00 C ATOM 398 O TRP A 28 -10.743 -14.448 -21.113 1.00 0.00 O ATOM 399 CB TRP A 28 -11.574 -16.593 -19.110 1.00 0.00 C ATOM 400 CG TRP A 28 -12.779 -16.312 -18.253 1.00 0.00 C ATOM 401 CD1 TRP A 28 -13.339 -15.102 -18.029 1.00 0.00 C ATOM 402 CD2 TRP A 28 -13.591 -17.261 -17.491 1.00 0.00 C ATOM 403 NE1 TRP A 28 -14.451 -15.238 -17.223 1.00 0.00 N ATOM 404 CE2 TRP A 28 -14.642 -16.547 -16.840 1.00 0.00 C ATOM 405 CE3 TRP A 28 -13.543 -18.657 -17.278 1.00 0.00 C ATOM 406 CZ2 TRP A 28 -15.590 -17.181 -16.021 1.00 0.00 C ATOM 407 CZ3 TRP A 28 -14.488 -19.304 -16.458 1.00 0.00 C ATOM 408 CH2 TRP A 28 -15.509 -18.569 -15.829 1.00 0.00 C ATOM 0 H TRP A 28 -10.918 -15.439 -17.030 1.00 0.00 H new ATOM 0 HA TRP A 28 -9.518 -16.074 -19.487 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -11.907 -16.649 -20.146 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -11.197 -17.580 -18.843 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -12.970 -14.166 -18.423 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -15.056 -14.465 -16.945 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -12.767 -19.239 -17.753 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -16.372 -16.608 -15.545 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -14.428 -20.372 -16.311 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -16.229 -19.071 -15.200 1.00 0.00 H new ATOM 419 N CYS A 29 -10.728 -13.159 -19.268 1.00 0.00 N ATOM 420 CA CYS A 29 -10.985 -11.909 -19.962 1.00 0.00 C ATOM 421 C CYS A 29 -9.642 -11.191 -20.124 1.00 0.00 C ATOM 422 O CYS A 29 -9.075 -10.716 -19.138 1.00 0.00 O ATOM 423 CB CYS A 29 -12.009 -11.086 -19.172 1.00 0.00 C ATOM 424 SG CYS A 29 -12.528 -9.631 -20.125 1.00 0.00 S ATOM 0 H CYS A 29 -10.624 -13.051 -18.259 1.00 0.00 H new ATOM 0 HA CYS A 29 -11.415 -12.071 -20.951 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -12.877 -11.703 -18.937 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -11.576 -10.771 -18.223 1.00 0.00 H new ATOM 0 HG CYS A 29 -13.751 -9.321 -19.812 1.00 0.00 H new ATOM 430 N GLY A 30 -9.127 -11.133 -21.357 1.00 0.00 N ATOM 431 CA GLY A 30 -7.846 -10.513 -21.692 1.00 0.00 C ATOM 432 C GLY A 30 -7.644 -9.131 -21.059 1.00 0.00 C ATOM 433 O GLY A 30 -6.626 -8.933 -20.398 1.00 0.00 O ATOM 0 H GLY A 30 -9.604 -11.527 -22.168 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -7.039 -11.171 -21.370 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -7.770 -10.421 -22.775 1.00 0.00 H new ATOM 437 N PRO A 31 -8.585 -8.179 -21.189 1.00 0.00 N ATOM 438 CA PRO A 31 -8.500 -6.871 -20.547 1.00 0.00 C ATOM 439 C PRO A 31 -8.182 -6.881 -19.043 1.00 0.00 C ATOM 440 O PRO A 31 -7.498 -5.966 -18.584 1.00 0.00 O ATOM 441 CB PRO A 31 -9.824 -6.179 -20.865 1.00 0.00 C ATOM 442 CG PRO A 31 -10.175 -6.745 -22.239 1.00 0.00 C ATOM 443 CD PRO A 31 -9.682 -8.188 -22.149 1.00 0.00 C ATOM 0 HA PRO A 31 -7.639 -6.332 -20.943 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -10.590 -6.409 -20.124 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -9.719 -5.094 -20.888 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -11.246 -6.695 -22.435 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -9.679 -6.198 -23.040 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -10.481 -8.854 -21.822 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -9.346 -8.547 -23.122 1.00 0.00 H new ATOM 451 N CYS A 32 -8.598 -7.895 -18.267 1.00 0.00 N ATOM 452 CA CYS A 32 -8.195 -8.006 -16.861 1.00 0.00 C ATOM 453 C CYS A 32 -6.674 -8.172 -16.742 1.00 0.00 C ATOM 454 O CYS A 32 -6.047 -7.564 -15.875 1.00 0.00 O ATOM 455 CB CYS A 32 -8.874 -9.204 -16.181 1.00 0.00 C ATOM 456 SG CYS A 32 -10.681 -9.135 -16.297 1.00 0.00 S ATOM 0 H CYS A 32 -9.210 -8.645 -18.590 1.00 0.00 H new ATOM 0 HA CYS A 32 -8.505 -7.086 -16.365 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -8.519 -10.127 -16.639 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -8.581 -9.236 -15.131 1.00 0.00 H new ATOM 0 HG CYS A 32 -11.171 -8.690 -15.178 1.00 0.00 H new ATOM 462 N LYS A 33 -6.062 -8.974 -17.621 1.00 0.00 N ATOM 463 CA LYS A 33 -4.609 -9.130 -17.660 1.00 0.00 C ATOM 464 C LYS A 33 -3.958 -7.829 -18.124 1.00 0.00 C ATOM 465 O LYS A 33 -2.911 -7.462 -17.600 1.00 0.00 O ATOM 466 CB LYS A 33 -4.190 -10.285 -18.588 1.00 0.00 C ATOM 467 CG LYS A 33 -4.831 -11.632 -18.218 1.00 0.00 C ATOM 468 CD LYS A 33 -4.289 -12.750 -19.118 1.00 0.00 C ATOM 469 CE LYS A 33 -4.969 -14.079 -18.770 1.00 0.00 C ATOM 470 NZ LYS A 33 -4.460 -15.206 -19.592 1.00 0.00 N ATOM 0 H LYS A 33 -6.558 -9.528 -18.319 1.00 0.00 H new ATOM 0 HA LYS A 33 -4.270 -9.369 -16.652 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.460 -10.033 -19.614 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.105 -10.388 -18.560 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.624 -11.865 -17.174 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.914 -11.567 -18.321 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -4.467 -12.504 -20.165 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.210 -12.840 -18.991 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.809 -14.301 -17.715 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.045 -13.983 -18.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -4.949 -16.083 -19.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -4.635 -15.009 -20.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -3.438 -15.317 -19.434 1.00 0.00 H new ATOM 484 N MET A 34 -4.572 -7.120 -19.077 1.00 0.00 N ATOM 485 CA MET A 34 -4.026 -5.874 -19.611 1.00 0.00 C ATOM 486 C MET A 34 -3.997 -4.781 -18.542 1.00 0.00 C ATOM 487 O MET A 34 -3.024 -4.033 -18.472 1.00 0.00 O ATOM 488 CB MET A 34 -4.834 -5.389 -20.826 1.00 0.00 C ATOM 489 CG MET A 34 -4.820 -6.392 -21.983 1.00 0.00 C ATOM 490 SD MET A 34 -5.907 -5.937 -23.363 1.00 0.00 S ATOM 491 CE MET A 34 -5.740 -7.428 -24.378 1.00 0.00 C ATOM 0 H MET A 34 -5.460 -7.395 -19.497 1.00 0.00 H new ATOM 0 HA MET A 34 -3.004 -6.080 -19.929 1.00 0.00 H new ATOM 0 HB2 MET A 34 -5.865 -5.205 -20.522 1.00 0.00 H new ATOM 0 HB3 MET A 34 -4.429 -4.437 -21.170 1.00 0.00 H new ATOM 0 HG2 MET A 34 -3.800 -6.490 -22.354 1.00 0.00 H new ATOM 0 HG3 MET A 34 -5.117 -7.371 -21.606 1.00 0.00 H new ATOM 0 HE1 MET A 34 -6.346 -7.325 -25.278 1.00 0.00 H new ATOM 0 HE2 MET A 34 -4.695 -7.563 -24.658 1.00 0.00 H new ATOM 0 HE3 MET A 34 -6.078 -8.295 -23.810 1.00 0.00 H new ATOM 501 N ILE A 35 -5.038 -4.672 -17.706 1.00 0.00 N ATOM 502 CA ILE A 35 -5.111 -3.626 -16.685 1.00 0.00 C ATOM 503 C ILE A 35 -4.289 -3.993 -15.438 1.00 0.00 C ATOM 504 O ILE A 35 -3.927 -3.103 -14.674 1.00 0.00 O ATOM 505 CB ILE A 35 -6.590 -3.266 -16.396 1.00 0.00 C ATOM 506 CG1 ILE A 35 -6.695 -1.852 -15.787 1.00 0.00 C ATOM 507 CG2 ILE A 35 -7.307 -4.323 -15.539 1.00 0.00 C ATOM 508 CD1 ILE A 35 -8.137 -1.382 -15.571 1.00 0.00 C ATOM 0 H ILE A 35 -5.842 -5.299 -17.719 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.644 -2.717 -17.063 1.00 0.00 H new ATOM 0 HB ILE A 35 -7.115 -3.262 -17.351 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -6.170 -1.837 -14.832 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -6.186 -1.145 -16.442 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -8.339 -4.015 -15.370 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -7.294 -5.282 -16.058 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -6.797 -4.422 -14.581 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.133 -0.381 -15.140 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.661 -1.364 -16.527 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -8.645 -2.067 -14.892 1.00 0.00 H new ATOM 520 N ALA A 36 -3.950 -5.272 -15.227 1.00 0.00 N ATOM 521 CA ALA A 36 -3.174 -5.709 -14.065 1.00 0.00 C ATOM 522 C ALA A 36 -1.862 -4.922 -13.866 1.00 0.00 C ATOM 523 O ALA A 36 -1.680 -4.385 -12.771 1.00 0.00 O ATOM 524 CB ALA A 36 -2.944 -7.226 -14.109 1.00 0.00 C ATOM 0 H ALA A 36 -4.207 -6.030 -15.859 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.772 -5.480 -13.183 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.366 -7.532 -13.237 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.905 -7.740 -14.105 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -2.398 -7.485 -15.016 1.00 0.00 H new ATOM 530 N PRO A 37 -0.968 -4.761 -14.866 1.00 0.00 N ATOM 531 CA PRO A 37 0.240 -3.965 -14.680 1.00 0.00 C ATOM 532 C PRO A 37 -0.078 -2.485 -14.438 1.00 0.00 C ATOM 533 O PRO A 37 0.659 -1.828 -13.707 1.00 0.00 O ATOM 534 CB PRO A 37 1.093 -4.176 -15.935 1.00 0.00 C ATOM 535 CG PRO A 37 0.081 -4.600 -16.994 1.00 0.00 C ATOM 536 CD PRO A 37 -0.952 -5.378 -16.183 1.00 0.00 C ATOM 0 HA PRO A 37 0.781 -4.284 -13.789 1.00 0.00 H new ATOM 0 HB2 PRO A 37 1.615 -3.263 -16.223 1.00 0.00 H new ATOM 0 HB3 PRO A 37 1.853 -4.941 -15.778 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -0.363 -3.740 -17.496 1.00 0.00 H new ATOM 0 HG3 PRO A 37 0.539 -5.219 -17.766 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -1.935 -5.327 -16.651 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -0.684 -6.433 -16.118 1.00 0.00 H new ATOM 544 N VAL A 38 -1.175 -1.955 -14.993 1.00 0.00 N ATOM 545 CA VAL A 38 -1.590 -0.582 -14.742 1.00 0.00 C ATOM 546 C VAL A 38 -1.930 -0.423 -13.256 1.00 0.00 C ATOM 547 O VAL A 38 -1.493 0.541 -12.629 1.00 0.00 O ATOM 548 CB VAL A 38 -2.777 -0.182 -15.646 1.00 0.00 C ATOM 549 CG1 VAL A 38 -3.019 1.326 -15.563 1.00 0.00 C ATOM 550 CG2 VAL A 38 -2.543 -0.540 -17.124 1.00 0.00 C ATOM 0 H VAL A 38 -1.792 -2.467 -15.624 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.770 0.093 -14.988 1.00 0.00 H new ATOM 0 HB VAL A 38 -3.639 -0.741 -15.283 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.858 1.596 -16.204 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.246 1.602 -14.533 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.126 1.857 -15.892 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.408 -0.237 -17.713 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -1.656 -0.021 -17.488 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.398 -1.616 -17.219 1.00 0.00 H new ATOM 560 N LEU A 39 -2.667 -1.375 -12.675 1.00 0.00 N ATOM 561 CA LEU A 39 -3.005 -1.361 -11.259 1.00 0.00 C ATOM 562 C LEU A 39 -1.751 -1.526 -10.402 1.00 0.00 C ATOM 563 O LEU A 39 -1.657 -0.887 -9.359 1.00 0.00 O ATOM 564 CB LEU A 39 -4.040 -2.452 -10.933 1.00 0.00 C ATOM 565 CG LEU A 39 -5.432 -2.182 -11.542 1.00 0.00 C ATOM 566 CD1 LEU A 39 -6.291 -3.445 -11.451 1.00 0.00 C ATOM 567 CD2 LEU A 39 -6.160 -1.029 -10.839 1.00 0.00 C ATOM 0 H LEU A 39 -3.044 -2.177 -13.180 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.450 -0.394 -11.025 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.672 -3.411 -11.298 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.136 -2.539 -9.851 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.279 -1.898 -12.583 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -7.273 -3.249 -11.882 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.808 -4.254 -12.000 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -6.405 -3.733 -10.406 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.135 -0.877 -11.303 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.294 -1.272 -9.785 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.569 -0.117 -10.929 1.00 0.00 H new ATOM 579 N GLU A 40 -0.772 -2.331 -10.825 1.00 0.00 N ATOM 580 CA GLU A 40 0.493 -2.452 -10.101 1.00 0.00 C ATOM 581 C GLU A 40 1.281 -1.140 -10.140 1.00 0.00 C ATOM 582 O GLU A 40 1.888 -0.756 -9.139 1.00 0.00 O ATOM 583 CB GLU A 40 1.334 -3.617 -10.645 1.00 0.00 C ATOM 584 CG GLU A 40 0.755 -4.980 -10.242 1.00 0.00 C ATOM 585 CD GLU A 40 1.632 -6.138 -10.748 1.00 0.00 C ATOM 586 OE1 GLU A 40 2.580 -6.544 -10.036 1.00 0.00 O ATOM 587 OE2 GLU A 40 1.376 -6.674 -11.851 1.00 0.00 O ATOM 0 H GLU A 40 -0.833 -2.907 -11.664 1.00 0.00 H new ATOM 0 HA GLU A 40 0.258 -2.668 -9.059 1.00 0.00 H new ATOM 0 HB2 GLU A 40 1.384 -3.551 -11.732 1.00 0.00 H new ATOM 0 HB3 GLU A 40 2.355 -3.532 -10.273 1.00 0.00 H new ATOM 0 HG2 GLU A 40 0.670 -5.034 -9.157 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -0.252 -5.082 -10.646 1.00 0.00 H new ATOM 594 N GLU A 41 1.283 -0.423 -11.263 1.00 0.00 N ATOM 595 CA GLU A 41 1.915 0.887 -11.356 1.00 0.00 C ATOM 596 C GLU A 41 1.160 1.905 -10.495 1.00 0.00 C ATOM 597 O GLU A 41 1.786 2.741 -9.846 1.00 0.00 O ATOM 598 CB GLU A 41 2.006 1.355 -12.816 1.00 0.00 C ATOM 599 CG GLU A 41 3.106 0.614 -13.588 1.00 0.00 C ATOM 600 CD GLU A 41 3.242 1.142 -15.028 1.00 0.00 C ATOM 601 OE1 GLU A 41 4.004 2.111 -15.251 1.00 0.00 O ATOM 602 OE2 GLU A 41 2.615 0.584 -15.956 1.00 0.00 O ATOM 0 H GLU A 41 0.847 -0.735 -12.131 1.00 0.00 H new ATOM 0 HA GLU A 41 2.933 0.805 -10.975 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.047 1.196 -13.309 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.203 2.427 -12.842 1.00 0.00 H new ATOM 0 HG2 GLU A 41 4.057 0.728 -13.067 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.880 -0.452 -13.611 1.00 0.00 H new ATOM 609 N LEU A 42 -0.171 1.822 -10.441 1.00 0.00 N ATOM 610 CA LEU A 42 -0.994 2.690 -9.611 1.00 0.00 C ATOM 611 C LEU A 42 -0.731 2.421 -8.125 1.00 0.00 C ATOM 612 O LEU A 42 -0.653 3.361 -7.335 1.00 0.00 O ATOM 613 CB LEU A 42 -2.476 2.476 -9.958 1.00 0.00 C ATOM 614 CG LEU A 42 -3.393 3.569 -9.380 1.00 0.00 C ATOM 615 CD1 LEU A 42 -3.252 4.893 -10.138 1.00 0.00 C ATOM 616 CD2 LEU A 42 -4.849 3.100 -9.446 1.00 0.00 C ATOM 0 H LEU A 42 -0.708 1.142 -10.979 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.734 3.730 -9.809 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.590 2.450 -11.042 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.795 1.505 -9.581 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.095 3.741 -8.346 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.916 5.637 -9.698 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.222 5.242 -10.072 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.518 4.743 -11.184 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.499 3.873 -9.037 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.123 2.907 -10.483 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.963 2.185 -8.865 1.00 0.00 H new ATOM 628 N ASP A 43 -0.551 1.155 -7.741 1.00 0.00 N ATOM 629 CA ASP A 43 -0.203 0.756 -6.381 1.00 0.00 C ATOM 630 C ASP A 43 1.187 1.276 -6.003 1.00 0.00 C ATOM 631 O ASP A 43 1.391 1.742 -4.882 1.00 0.00 O ATOM 632 CB ASP A 43 -0.241 -0.771 -6.229 1.00 0.00 C ATOM 633 CG ASP A 43 0.403 -1.194 -4.904 1.00 0.00 C ATOM 634 OD1 ASP A 43 -0.186 -0.940 -3.830 1.00 0.00 O ATOM 635 OD2 ASP A 43 1.531 -1.729 -4.924 1.00 0.00 O ATOM 0 H ASP A 43 -0.645 0.366 -8.381 1.00 0.00 H new ATOM 0 HA ASP A 43 -0.942 1.194 -5.709 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -1.273 -1.121 -6.267 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.285 -1.239 -7.061 1.00 0.00 H new ATOM 640 N GLN A 44 2.143 1.228 -6.932 1.00 0.00 N ATOM 641 CA GLN A 44 3.475 1.777 -6.716 1.00 0.00 C ATOM 642 C GLN A 44 3.434 3.306 -6.588 1.00 0.00 C ATOM 643 O GLN A 44 4.184 3.876 -5.795 1.00 0.00 O ATOM 644 CB GLN A 44 4.398 1.332 -7.859 1.00 0.00 C ATOM 645 CG GLN A 44 4.833 -0.132 -7.689 1.00 0.00 C ATOM 646 CD GLN A 44 5.471 -0.674 -8.967 1.00 0.00 C ATOM 647 OE1 GLN A 44 6.688 -0.659 -9.140 1.00 0.00 O ATOM 648 NE2 GLN A 44 4.655 -1.156 -9.890 1.00 0.00 N ATOM 0 H GLN A 44 2.012 0.808 -7.852 1.00 0.00 H new ATOM 0 HA GLN A 44 3.870 1.394 -5.775 1.00 0.00 H new ATOM 0 HB2 GLN A 44 3.883 1.452 -8.812 1.00 0.00 H new ATOM 0 HB3 GLN A 44 5.278 1.974 -7.889 1.00 0.00 H new ATOM 0 HG2 GLN A 44 5.542 -0.209 -6.865 1.00 0.00 H new ATOM 0 HG3 GLN A 44 3.969 -0.742 -7.424 1.00 0.00 H new ATOM 0 HE21 GLN A 44 3.648 -1.160 -9.728 1.00 0.00 H new ATOM 0 HE22 GLN A 44 5.033 -1.524 -10.763 1.00 0.00 H new ATOM 657 N GLU A 45 2.563 3.969 -7.350 1.00 0.00 N ATOM 658 CA GLU A 45 2.434 5.420 -7.363 1.00 0.00 C ATOM 659 C GLU A 45 1.773 5.924 -6.075 1.00 0.00 C ATOM 660 O GLU A 45 2.326 6.788 -5.394 1.00 0.00 O ATOM 661 CB GLU A 45 1.612 5.828 -8.601 1.00 0.00 C ATOM 662 CG GLU A 45 1.424 7.343 -8.765 1.00 0.00 C ATOM 663 CD GLU A 45 2.747 8.069 -9.059 1.00 0.00 C ATOM 664 OE1 GLU A 45 3.278 7.901 -10.179 1.00 0.00 O ATOM 665 OE2 GLU A 45 3.252 8.813 -8.189 1.00 0.00 O ATOM 0 H GLU A 45 1.917 3.501 -7.986 1.00 0.00 H new ATOM 0 HA GLU A 45 3.423 5.875 -7.415 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.101 5.436 -9.493 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.631 5.356 -8.543 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.720 7.533 -9.575 1.00 0.00 H new ATOM 0 HG3 GLU A 45 0.982 7.752 -7.856 1.00 0.00 H new ATOM 672 N MET A 46 0.599 5.380 -5.734 1.00 0.00 N ATOM 673 CA MET A 46 -0.280 5.923 -4.709 1.00 0.00 C ATOM 674 C MET A 46 -1.026 4.862 -3.895 1.00 0.00 C ATOM 675 O MET A 46 -1.972 5.217 -3.189 1.00 0.00 O ATOM 676 CB MET A 46 -1.239 6.903 -5.404 1.00 0.00 C ATOM 677 CG MET A 46 -2.116 6.290 -6.508 1.00 0.00 C ATOM 678 SD MET A 46 -3.481 7.342 -7.088 1.00 0.00 S ATOM 679 CE MET A 46 -2.634 8.910 -7.432 1.00 0.00 C ATOM 0 H MET A 46 0.233 4.536 -6.174 1.00 0.00 H new ATOM 0 HA MET A 46 0.326 6.435 -3.962 1.00 0.00 H new ATOM 0 HB2 MET A 46 -1.889 7.346 -4.650 1.00 0.00 H new ATOM 0 HB3 MET A 46 -0.653 7.714 -5.836 1.00 0.00 H new ATOM 0 HG2 MET A 46 -1.481 6.044 -7.359 1.00 0.00 H new ATOM 0 HG3 MET A 46 -2.533 5.352 -6.140 1.00 0.00 H new ATOM 0 HE1 MET A 46 -3.337 9.613 -7.877 1.00 0.00 H new ATOM 0 HE2 MET A 46 -2.245 9.325 -6.502 1.00 0.00 H new ATOM 0 HE3 MET A 46 -1.810 8.734 -8.123 1.00 0.00 H new ATOM 689 N GLY A 47 -0.607 3.592 -3.942 1.00 0.00 N ATOM 690 CA GLY A 47 -1.146 2.474 -3.160 1.00 0.00 C ATOM 691 C GLY A 47 -0.769 2.572 -1.681 1.00 0.00 C ATOM 692 O GLY A 47 -0.147 1.669 -1.123 1.00 0.00 O ATOM 0 H GLY A 47 0.154 3.302 -4.556 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.232 2.455 -3.256 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -0.773 1.534 -3.567 1.00 0.00 H new ATOM 696 N ASP A 48 -1.083 3.714 -1.085 1.00 0.00 N ATOM 697 CA ASP A 48 -0.998 4.075 0.319 1.00 0.00 C ATOM 698 C ASP A 48 -2.045 5.165 0.573 1.00 0.00 C ATOM 699 O ASP A 48 -2.775 5.109 1.563 1.00 0.00 O ATOM 700 CB ASP A 48 0.395 4.615 0.649 1.00 0.00 C ATOM 701 CG ASP A 48 0.443 5.143 2.093 1.00 0.00 C ATOM 702 OD1 ASP A 48 0.479 4.325 3.040 1.00 0.00 O ATOM 703 OD2 ASP A 48 0.464 6.378 2.289 1.00 0.00 O ATOM 0 H ASP A 48 -1.442 4.493 -1.636 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.179 3.202 0.946 1.00 0.00 H new ATOM 0 HB2 ASP A 48 1.137 3.827 0.519 1.00 0.00 H new ATOM 0 HB3 ASP A 48 0.655 5.414 -0.045 1.00 0.00 H new ATOM 708 N LYS A 49 -2.179 6.114 -0.368 1.00 0.00 N ATOM 709 CA LYS A 49 -3.272 7.082 -0.403 1.00 0.00 C ATOM 710 C LYS A 49 -4.606 6.364 -0.613 1.00 0.00 C ATOM 711 O LYS A 49 -5.613 6.766 -0.030 1.00 0.00 O ATOM 712 CB LYS A 49 -3.049 8.121 -1.516 1.00 0.00 C ATOM 713 CG LYS A 49 -1.753 8.930 -1.339 1.00 0.00 C ATOM 714 CD LYS A 49 -1.634 10.029 -2.404 1.00 0.00 C ATOM 715 CE LYS A 49 -0.311 10.789 -2.227 1.00 0.00 C ATOM 716 NZ LYS A 49 -0.160 11.899 -3.202 1.00 0.00 N ATOM 0 H LYS A 49 -1.517 6.226 -1.135 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.296 7.604 0.553 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -3.023 7.612 -2.479 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -3.897 8.806 -1.540 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.734 9.379 -0.346 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.893 8.263 -1.403 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -1.680 9.589 -3.400 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -2.474 10.719 -2.322 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -0.258 11.189 -1.214 1.00 0.00 H new ATOM 0 HE3 LYS A 49 0.522 10.095 -2.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 0.748 12.381 -3.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -0.183 11.517 -4.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -0.938 12.578 -3.079 1.00 0.00 H new ATOM 730 N LEU A 50 -4.602 5.284 -1.400 1.00 0.00 N ATOM 731 CA LEU A 50 -5.706 4.356 -1.557 1.00 0.00 C ATOM 732 C LEU A 50 -5.220 2.918 -1.405 1.00 0.00 C ATOM 733 O LEU A 50 -4.022 2.644 -1.501 1.00 0.00 O ATOM 734 CB LEU A 50 -6.437 4.585 -2.897 1.00 0.00 C ATOM 735 CG LEU A 50 -6.007 3.723 -4.109 1.00 0.00 C ATOM 736 CD1 LEU A 50 -7.101 3.785 -5.169 1.00 0.00 C ATOM 737 CD2 LEU A 50 -4.665 4.154 -4.696 1.00 0.00 C ATOM 0 H LEU A 50 -3.792 5.029 -1.965 1.00 0.00 H new ATOM 0 HA LEU A 50 -6.432 4.541 -0.766 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -7.502 4.421 -2.730 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -6.315 5.633 -3.171 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.871 2.698 -3.763 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -6.810 3.181 -6.028 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -8.032 3.400 -4.754 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.245 4.819 -5.484 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.416 3.514 -5.542 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -4.730 5.189 -5.031 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.890 4.067 -3.935 1.00 0.00 H new ATOM 749 N LYS A 51 -6.165 1.999 -1.226 1.00 0.00 N ATOM 750 CA LYS A 51 -5.948 0.554 -1.282 1.00 0.00 C ATOM 751 C LYS A 51 -6.454 0.063 -2.645 1.00 0.00 C ATOM 752 O LYS A 51 -7.362 0.677 -3.206 1.00 0.00 O ATOM 753 CB LYS A 51 -6.726 -0.059 -0.106 1.00 0.00 C ATOM 754 CG LYS A 51 -6.512 -1.565 0.109 1.00 0.00 C ATOM 755 CD LYS A 51 -7.479 -2.130 1.163 1.00 0.00 C ATOM 756 CE LYS A 51 -7.294 -1.506 2.556 1.00 0.00 C ATOM 757 NZ LYS A 51 -8.184 -2.158 3.538 1.00 0.00 N ATOM 0 H LYS A 51 -7.135 2.247 -1.032 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.900 0.267 -1.191 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -6.444 0.465 0.807 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.790 0.121 -0.262 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -6.654 -2.091 -0.835 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.484 -1.746 0.424 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -8.504 -1.964 0.831 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -7.338 -3.208 1.234 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -6.256 -1.610 2.872 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -7.509 -0.438 2.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -7.963 -1.809 4.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -9.174 -1.937 3.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -8.042 -3.188 3.505 1.00 0.00 H new ATOM 771 N ILE A 52 -5.939 -1.053 -3.159 1.00 0.00 N ATOM 772 CA ILE A 52 -6.477 -1.713 -4.350 1.00 0.00 C ATOM 773 C ILE A 52 -6.871 -3.120 -3.900 1.00 0.00 C ATOM 774 O ILE A 52 -6.105 -3.730 -3.152 1.00 0.00 O ATOM 775 CB ILE A 52 -5.452 -1.704 -5.515 1.00 0.00 C ATOM 776 CG1 ILE A 52 -4.957 -0.264 -5.818 1.00 0.00 C ATOM 777 CG2 ILE A 52 -6.039 -2.381 -6.774 1.00 0.00 C ATOM 778 CD1 ILE A 52 -4.121 -0.111 -7.095 1.00 0.00 C ATOM 0 H ILE A 52 -5.131 -1.529 -2.758 1.00 0.00 H new ATOM 0 HA ILE A 52 -7.345 -1.191 -4.752 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.584 -2.286 -5.203 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -5.824 0.392 -5.891 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -4.364 0.084 -4.972 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -5.301 -2.361 -7.575 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -6.298 -3.415 -6.544 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -6.934 -1.845 -7.092 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.826 0.932 -7.214 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.230 -0.735 -7.023 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -4.712 -0.421 -7.956 1.00 0.00 H new ATOM 790 N VAL A 53 -8.029 -3.641 -4.324 1.00 0.00 N ATOM 791 CA VAL A 53 -8.540 -4.940 -3.864 1.00 0.00 C ATOM 792 C VAL A 53 -9.029 -5.753 -5.068 1.00 0.00 C ATOM 793 O VAL A 53 -9.995 -5.378 -5.730 1.00 0.00 O ATOM 794 CB VAL A 53 -9.676 -4.753 -2.825 1.00 0.00 C ATOM 795 CG1 VAL A 53 -10.246 -6.089 -2.324 1.00 0.00 C ATOM 796 CG2 VAL A 53 -9.240 -3.970 -1.576 1.00 0.00 C ATOM 0 H VAL A 53 -8.639 -3.175 -4.996 1.00 0.00 H new ATOM 0 HA VAL A 53 -7.733 -5.484 -3.373 1.00 0.00 H new ATOM 0 HB VAL A 53 -10.431 -4.190 -3.374 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -11.037 -5.898 -1.599 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -10.652 -6.650 -3.166 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -9.453 -6.668 -1.851 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -10.084 -3.877 -0.892 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.427 -4.500 -1.079 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -8.899 -2.977 -1.870 1.00 0.00 H new ATOM 806 N LYS A 54 -8.395 -6.888 -5.354 1.00 0.00 N ATOM 807 CA LYS A 54 -8.907 -7.844 -6.334 1.00 0.00 C ATOM 808 C LYS A 54 -10.087 -8.605 -5.744 1.00 0.00 C ATOM 809 O LYS A 54 -10.052 -8.957 -4.561 1.00 0.00 O ATOM 810 CB LYS A 54 -7.805 -8.849 -6.694 1.00 0.00 C ATOM 811 CG LYS A 54 -6.619 -8.234 -7.441 1.00 0.00 C ATOM 812 CD LYS A 54 -7.061 -7.724 -8.816 1.00 0.00 C ATOM 813 CE LYS A 54 -5.842 -7.302 -9.628 1.00 0.00 C ATOM 814 NZ LYS A 54 -6.170 -7.206 -11.071 1.00 0.00 N ATOM 0 H LYS A 54 -7.518 -7.170 -4.917 1.00 0.00 H new ATOM 0 HA LYS A 54 -9.225 -7.302 -7.225 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.441 -9.317 -5.779 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -8.236 -9.641 -7.307 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.200 -7.413 -6.859 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.830 -8.977 -7.558 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -7.609 -8.504 -9.344 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -7.741 -6.880 -8.699 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -5.478 -6.339 -9.270 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.037 -8.022 -9.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.323 -6.917 -11.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -6.495 -8.132 -11.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.922 -6.501 -11.210 1.00 0.00 H new ATOM 828 N ILE A 55 -11.075 -8.937 -6.576 1.00 0.00 N ATOM 829 CA ILE A 55 -12.156 -9.847 -6.207 1.00 0.00 C ATOM 830 C ILE A 55 -12.655 -10.555 -7.482 1.00 0.00 C ATOM 831 O ILE A 55 -12.688 -9.961 -8.560 1.00 0.00 O ATOM 832 CB ILE A 55 -13.229 -9.068 -5.400 1.00 0.00 C ATOM 833 CG1 ILE A 55 -14.406 -9.986 -5.016 1.00 0.00 C ATOM 834 CG2 ILE A 55 -13.685 -7.777 -6.106 1.00 0.00 C ATOM 835 CD1 ILE A 55 -15.261 -9.443 -3.862 1.00 0.00 C ATOM 0 H ILE A 55 -11.147 -8.580 -7.529 1.00 0.00 H new ATOM 0 HA ILE A 55 -11.828 -10.642 -5.538 1.00 0.00 H new ATOM 0 HB ILE A 55 -12.760 -8.738 -4.473 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -15.041 -10.132 -5.890 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -14.016 -10.965 -4.738 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -14.435 -7.274 -5.496 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -12.829 -7.117 -6.246 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -14.114 -8.025 -7.077 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -16.069 -10.142 -3.648 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -14.640 -9.323 -2.974 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -15.681 -8.478 -4.144 1.00 0.00 H new ATOM 847 N ASP A 56 -12.992 -11.844 -7.385 1.00 0.00 N ATOM 848 CA ASP A 56 -13.347 -12.681 -8.541 1.00 0.00 C ATOM 849 C ASP A 56 -14.868 -12.777 -8.672 1.00 0.00 C ATOM 850 O ASP A 56 -15.533 -13.104 -7.687 1.00 0.00 O ATOM 851 CB ASP A 56 -12.746 -14.079 -8.365 1.00 0.00 C ATOM 852 CG ASP A 56 -13.183 -15.014 -9.503 1.00 0.00 C ATOM 853 OD1 ASP A 56 -14.310 -15.551 -9.436 1.00 0.00 O ATOM 854 OD2 ASP A 56 -12.395 -15.207 -10.457 1.00 0.00 O ATOM 0 H ASP A 56 -13.027 -12.343 -6.496 1.00 0.00 H new ATOM 0 HA ASP A 56 -12.946 -12.229 -9.448 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -11.658 -14.011 -8.343 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -13.059 -14.495 -7.407 1.00 0.00 H new ATOM 859 N VAL A 57 -15.429 -12.491 -9.851 1.00 0.00 N ATOM 860 CA VAL A 57 -16.884 -12.410 -10.033 1.00 0.00 C ATOM 861 C VAL A 57 -17.617 -13.748 -9.896 1.00 0.00 C ATOM 862 O VAL A 57 -18.797 -13.740 -9.550 1.00 0.00 O ATOM 863 CB VAL A 57 -17.260 -11.763 -11.385 1.00 0.00 C ATOM 864 CG1 VAL A 57 -16.921 -10.271 -11.394 1.00 0.00 C ATOM 865 CG2 VAL A 57 -16.605 -12.448 -12.596 1.00 0.00 C ATOM 0 H VAL A 57 -14.894 -12.310 -10.700 1.00 0.00 H new ATOM 0 HA VAL A 57 -17.218 -11.777 -9.211 1.00 0.00 H new ATOM 0 HB VAL A 57 -18.337 -11.897 -11.484 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -17.196 -9.841 -12.357 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -17.474 -9.768 -10.601 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -15.851 -10.140 -11.230 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -16.913 -11.942 -13.511 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -15.520 -12.397 -12.500 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -16.917 -13.492 -12.636 1.00 0.00 H new ATOM 875 N ASP A 58 -16.984 -14.889 -10.176 1.00 0.00 N ATOM 876 CA ASP A 58 -17.679 -16.176 -10.140 1.00 0.00 C ATOM 877 C ASP A 58 -17.776 -16.659 -8.698 1.00 0.00 C ATOM 878 O ASP A 58 -18.832 -17.122 -8.263 1.00 0.00 O ATOM 879 CB ASP A 58 -16.964 -17.222 -10.999 1.00 0.00 C ATOM 880 CG ASP A 58 -17.677 -18.580 -10.894 1.00 0.00 C ATOM 881 OD1 ASP A 58 -18.776 -18.736 -11.474 1.00 0.00 O ATOM 882 OD2 ASP A 58 -17.132 -19.511 -10.260 1.00 0.00 O ATOM 0 H ASP A 58 -15.998 -14.948 -10.429 1.00 0.00 H new ATOM 0 HA ASP A 58 -18.679 -16.039 -10.551 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -16.942 -16.895 -12.039 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -15.928 -17.322 -10.675 1.00 0.00 H new ATOM 887 N GLU A 59 -16.694 -16.487 -7.936 1.00 0.00 N ATOM 888 CA GLU A 59 -16.652 -16.814 -6.515 1.00 0.00 C ATOM 889 C GLU A 59 -17.476 -15.814 -5.691 1.00 0.00 C ATOM 890 O GLU A 59 -17.994 -16.179 -4.634 1.00 0.00 O ATOM 891 CB GLU A 59 -15.196 -16.851 -6.024 1.00 0.00 C ATOM 892 CG GLU A 59 -14.419 -18.042 -6.604 1.00 0.00 C ATOM 893 CD GLU A 59 -12.999 -18.131 -6.017 1.00 0.00 C ATOM 894 OE1 GLU A 59 -12.818 -18.762 -4.949 1.00 0.00 O ATOM 895 OE2 GLU A 59 -12.041 -17.599 -6.624 1.00 0.00 O ATOM 0 H GLU A 59 -15.815 -16.113 -8.294 1.00 0.00 H new ATOM 0 HA GLU A 59 -17.095 -17.801 -6.378 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -14.697 -15.923 -6.303 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -15.183 -16.906 -4.935 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -14.958 -18.966 -6.395 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -14.360 -17.946 -7.688 1.00 0.00 H new ATOM 902 N ASN A 60 -17.647 -14.579 -6.178 1.00 0.00 N ATOM 903 CA ASN A 60 -18.230 -13.458 -5.430 1.00 0.00 C ATOM 904 C ASN A 60 -19.351 -12.821 -6.242 1.00 0.00 C ATOM 905 O ASN A 60 -19.472 -11.600 -6.353 1.00 0.00 O ATOM 906 CB ASN A 60 -17.162 -12.442 -5.021 1.00 0.00 C ATOM 907 CG ASN A 60 -16.048 -13.113 -4.244 1.00 0.00 C ATOM 908 OD1 ASN A 60 -16.176 -13.351 -3.050 1.00 0.00 O ATOM 909 ND2 ASN A 60 -14.965 -13.470 -4.913 1.00 0.00 N ATOM 0 H ASN A 60 -17.377 -14.325 -7.128 1.00 0.00 H new ATOM 0 HA ASN A 60 -18.660 -13.839 -4.504 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -16.753 -11.961 -5.909 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -17.614 -11.658 -4.413 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -14.208 -13.958 -4.434 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -14.887 -13.258 -5.908 1.00 0.00 H new ATOM 916 N GLN A 61 -20.162 -13.695 -6.827 1.00 0.00 N ATOM 917 CA GLN A 61 -21.349 -13.391 -7.604 1.00 0.00 C ATOM 918 C GLN A 61 -22.300 -12.478 -6.822 1.00 0.00 C ATOM 919 O GLN A 61 -22.845 -11.529 -7.384 1.00 0.00 O ATOM 920 CB GLN A 61 -21.984 -14.717 -8.073 1.00 0.00 C ATOM 921 CG GLN A 61 -22.584 -15.638 -6.990 1.00 0.00 C ATOM 922 CD GLN A 61 -21.649 -15.962 -5.818 1.00 0.00 C ATOM 923 OE1 GLN A 61 -21.850 -15.488 -4.706 1.00 0.00 O ATOM 924 NE2 GLN A 61 -20.549 -16.664 -6.029 1.00 0.00 N ATOM 0 H GLN A 61 -19.993 -14.699 -6.765 1.00 0.00 H new ATOM 0 HA GLN A 61 -21.092 -12.821 -8.497 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -22.772 -14.479 -8.787 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -21.224 -15.282 -8.613 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -23.486 -15.169 -6.596 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -22.890 -16.573 -7.459 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -20.368 -17.065 -6.949 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -19.881 -16.805 -5.271 1.00 0.00 H new ATOM 933 N GLU A 62 -22.444 -12.717 -5.514 1.00 0.00 N ATOM 934 CA GLU A 62 -23.247 -11.892 -4.630 1.00 0.00 C ATOM 935 C GLU A 62 -22.662 -10.482 -4.542 1.00 0.00 C ATOM 936 O GLU A 62 -23.406 -9.513 -4.665 1.00 0.00 O ATOM 937 CB GLU A 62 -23.304 -12.548 -3.240 1.00 0.00 C ATOM 938 CG GLU A 62 -24.342 -13.678 -3.150 1.00 0.00 C ATOM 939 CD GLU A 62 -25.791 -13.158 -3.211 1.00 0.00 C ATOM 940 OE1 GLU A 62 -26.322 -12.693 -2.177 1.00 0.00 O ATOM 941 OE2 GLU A 62 -26.425 -13.231 -4.288 1.00 0.00 O ATOM 0 H GLU A 62 -21.996 -13.502 -5.041 1.00 0.00 H new ATOM 0 HA GLU A 62 -24.259 -11.810 -5.027 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -22.320 -12.946 -2.992 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -23.538 -11.787 -2.495 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -24.178 -14.383 -3.965 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -24.196 -14.227 -2.220 1.00 0.00 H new ATOM 948 N THR A 63 -21.346 -10.344 -4.362 1.00 0.00 N ATOM 949 CA THR A 63 -20.721 -9.042 -4.182 1.00 0.00 C ATOM 950 C THR A 63 -20.757 -8.242 -5.479 1.00 0.00 C ATOM 951 O THR A 63 -21.076 -7.063 -5.441 1.00 0.00 O ATOM 952 CB THR A 63 -19.284 -9.178 -3.670 1.00 0.00 C ATOM 953 OG1 THR A 63 -19.152 -10.342 -2.897 1.00 0.00 O ATOM 954 CG2 THR A 63 -18.831 -7.999 -2.808 1.00 0.00 C ATOM 0 H THR A 63 -20.693 -11.127 -4.338 1.00 0.00 H new ATOM 0 HA THR A 63 -21.293 -8.502 -3.428 1.00 0.00 H new ATOM 0 HB THR A 63 -18.658 -9.213 -4.562 1.00 0.00 H new ATOM 0 HG1 THR A 63 -19.700 -10.261 -2.088 1.00 0.00 H new ATOM 0 HG21 THR A 63 -17.804 -8.162 -2.480 1.00 0.00 H new ATOM 0 HG22 THR A 63 -18.884 -7.080 -3.392 1.00 0.00 H new ATOM 0 HG23 THR A 63 -19.481 -7.914 -1.937 1.00 0.00 H new ATOM 962 N ALA A 64 -20.491 -8.856 -6.632 1.00 0.00 N ATOM 963 CA ALA A 64 -20.598 -8.148 -7.898 1.00 0.00 C ATOM 964 C ALA A 64 -22.058 -7.707 -8.112 1.00 0.00 C ATOM 965 O ALA A 64 -22.326 -6.537 -8.401 1.00 0.00 O ATOM 966 CB ALA A 64 -20.077 -9.051 -9.021 1.00 0.00 C ATOM 0 H ALA A 64 -20.203 -9.831 -6.711 1.00 0.00 H new ATOM 0 HA ALA A 64 -19.987 -7.245 -7.896 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -20.154 -8.528 -9.974 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -19.034 -9.305 -8.829 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -20.672 -9.964 -9.059 1.00 0.00 H new ATOM 972 N GLY A 65 -23.014 -8.608 -7.858 1.00 0.00 N ATOM 973 CA GLY A 65 -24.441 -8.312 -7.902 1.00 0.00 C ATOM 974 C GLY A 65 -24.841 -7.175 -6.954 1.00 0.00 C ATOM 975 O GLY A 65 -25.773 -6.429 -7.255 1.00 0.00 O ATOM 0 H GLY A 65 -22.809 -9.577 -7.613 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -24.721 -8.045 -8.921 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -25.002 -9.210 -7.642 1.00 0.00 H new ATOM 979 N LYS A 66 -24.100 -6.981 -5.857 1.00 0.00 N ATOM 980 CA LYS A 66 -24.316 -5.928 -4.860 1.00 0.00 C ATOM 981 C LYS A 66 -24.229 -4.526 -5.478 1.00 0.00 C ATOM 982 O LYS A 66 -24.778 -3.587 -4.901 1.00 0.00 O ATOM 983 CB LYS A 66 -23.299 -6.108 -3.711 1.00 0.00 C ATOM 984 CG LYS A 66 -23.809 -5.654 -2.335 1.00 0.00 C ATOM 985 CD LYS A 66 -22.781 -5.898 -1.213 1.00 0.00 C ATOM 986 CE LYS A 66 -22.440 -7.394 -1.044 1.00 0.00 C ATOM 987 NZ LYS A 66 -21.605 -7.705 0.141 1.00 0.00 N ATOM 0 H LYS A 66 -23.303 -7.576 -5.631 1.00 0.00 H new ATOM 0 HA LYS A 66 -25.327 -6.020 -4.463 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -23.018 -7.160 -3.652 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -22.394 -5.550 -3.952 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -24.054 -4.593 -2.374 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -24.731 -6.185 -2.100 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -21.869 -5.343 -1.432 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -23.173 -5.509 -0.273 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -23.369 -7.960 -0.976 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -21.921 -7.739 -1.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -21.145 -8.629 0.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -20.878 -6.970 0.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -22.205 -7.735 0.990 1.00 0.00 H new ATOM 1001 N TYR A 67 -23.597 -4.384 -6.651 1.00 0.00 N ATOM 1002 CA TYR A 67 -23.447 -3.116 -7.368 1.00 0.00 C ATOM 1003 C TYR A 67 -23.980 -3.232 -8.806 1.00 0.00 C ATOM 1004 O TYR A 67 -23.729 -2.350 -9.629 1.00 0.00 O ATOM 1005 CB TYR A 67 -21.974 -2.660 -7.332 1.00 0.00 C ATOM 1006 CG TYR A 67 -21.236 -3.002 -6.050 1.00 0.00 C ATOM 1007 CD1 TYR A 67 -21.550 -2.355 -4.837 1.00 0.00 C ATOM 1008 CD2 TYR A 67 -20.314 -4.064 -6.056 1.00 0.00 C ATOM 1009 CE1 TYR A 67 -20.955 -2.779 -3.637 1.00 0.00 C ATOM 1010 CE2 TYR A 67 -19.725 -4.500 -4.861 1.00 0.00 C ATOM 1011 CZ TYR A 67 -20.054 -3.867 -3.640 1.00 0.00 C ATOM 1012 OH TYR A 67 -19.555 -4.319 -2.456 1.00 0.00 O ATOM 0 H TYR A 67 -23.166 -5.170 -7.138 1.00 0.00 H new ATOM 0 HA TYR A 67 -24.045 -2.353 -6.869 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -21.447 -3.114 -8.171 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -21.938 -1.581 -7.479 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -22.249 -1.532 -4.830 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -20.058 -4.547 -6.988 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -21.187 -2.273 -2.712 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -19.021 -5.319 -4.873 1.00 0.00 H new ATOM 0 HH TYR A 67 -18.586 -4.444 -2.536 1.00 0.00 H new ATOM 1022 N GLY A 68 -24.709 -4.310 -9.127 1.00 0.00 N ATOM 1023 CA GLY A 68 -25.260 -4.548 -10.456 1.00 0.00 C ATOM 1024 C GLY A 68 -24.186 -4.913 -11.485 1.00 0.00 C ATOM 1025 O GLY A 68 -24.315 -4.554 -12.656 1.00 0.00 O ATOM 0 H GLY A 68 -24.932 -5.047 -8.458 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -25.994 -5.352 -10.402 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -25.789 -3.656 -10.790 1.00 0.00 H new ATOM 1029 N VAL A 69 -23.123 -5.601 -11.060 1.00 0.00 N ATOM 1030 CA VAL A 69 -21.996 -6.004 -11.896 1.00 0.00 C ATOM 1031 C VAL A 69 -22.039 -7.525 -12.046 1.00 0.00 C ATOM 1032 O VAL A 69 -22.309 -8.245 -11.084 1.00 0.00 O ATOM 1033 CB VAL A 69 -20.685 -5.511 -11.237 1.00 0.00 C ATOM 1034 CG1 VAL A 69 -19.427 -5.983 -11.983 1.00 0.00 C ATOM 1035 CG2 VAL A 69 -20.655 -3.973 -11.162 1.00 0.00 C ATOM 0 H VAL A 69 -23.023 -5.902 -10.090 1.00 0.00 H new ATOM 0 HA VAL A 69 -22.048 -5.562 -12.891 1.00 0.00 H new ATOM 0 HB VAL A 69 -20.675 -5.944 -10.237 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -18.540 -5.606 -11.474 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -19.401 -7.073 -11.999 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -19.447 -5.605 -13.005 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -19.725 -3.650 -10.695 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -20.720 -3.558 -12.168 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -21.500 -3.621 -10.570 1.00 0.00 H new ATOM 1045 N MET A 70 -21.762 -8.013 -13.257 1.00 0.00 N ATOM 1046 CA MET A 70 -21.497 -9.424 -13.539 1.00 0.00 C ATOM 1047 C MET A 70 -20.643 -9.528 -14.817 1.00 0.00 C ATOM 1048 O MET A 70 -20.746 -10.491 -15.581 1.00 0.00 O ATOM 1049 CB MET A 70 -22.809 -10.237 -13.595 1.00 0.00 C ATOM 1050 CG MET A 70 -22.567 -11.717 -13.256 1.00 0.00 C ATOM 1051 SD MET A 70 -21.959 -12.019 -11.567 1.00 0.00 S ATOM 1052 CE MET A 70 -21.486 -13.763 -11.705 1.00 0.00 C ATOM 0 H MET A 70 -21.715 -7.423 -14.088 1.00 0.00 H new ATOM 0 HA MET A 70 -20.923 -9.871 -12.727 1.00 0.00 H new ATOM 0 HB2 MET A 70 -23.530 -9.815 -12.895 1.00 0.00 H new ATOM 0 HB3 MET A 70 -23.246 -10.157 -14.590 1.00 0.00 H new ATOM 0 HG2 MET A 70 -23.499 -12.265 -13.396 1.00 0.00 H new ATOM 0 HG3 MET A 70 -21.847 -12.126 -13.965 1.00 0.00 H new ATOM 0 HE1 MET A 70 -21.090 -14.109 -10.750 1.00 0.00 H new ATOM 0 HE2 MET A 70 -22.360 -14.357 -11.973 1.00 0.00 H new ATOM 0 HE3 MET A 70 -20.723 -13.873 -12.475 1.00 0.00 H new ATOM 1062 N SER A 71 -19.811 -8.510 -15.062 1.00 0.00 N ATOM 1063 CA SER A 71 -18.951 -8.365 -16.226 1.00 0.00 C ATOM 1064 C SER A 71 -17.586 -7.872 -15.744 1.00 0.00 C ATOM 1065 O SER A 71 -17.487 -7.328 -14.638 1.00 0.00 O ATOM 1066 CB SER A 71 -19.581 -7.377 -17.222 1.00 0.00 C ATOM 1067 OG SER A 71 -20.917 -7.742 -17.543 1.00 0.00 O ATOM 0 H SER A 71 -19.720 -7.727 -14.415 1.00 0.00 H new ATOM 0 HA SER A 71 -18.832 -9.318 -16.741 1.00 0.00 H new ATOM 0 HB2 SER A 71 -19.569 -6.373 -16.797 1.00 0.00 H new ATOM 0 HB3 SER A 71 -18.983 -7.345 -18.132 1.00 0.00 H new ATOM 0 HG SER A 71 -21.290 -7.094 -18.177 1.00 0.00 H new ATOM 1073 N ILE A 72 -16.531 -8.070 -16.539 1.00 0.00 N ATOM 1074 CA ILE A 72 -15.153 -7.837 -16.117 1.00 0.00 C ATOM 1075 C ILE A 72 -14.300 -7.297 -17.279 1.00 0.00 C ATOM 1076 O ILE A 72 -14.620 -7.587 -18.436 1.00 0.00 O ATOM 1077 CB ILE A 72 -14.521 -9.131 -15.546 1.00 0.00 C ATOM 1078 CG1 ILE A 72 -14.307 -10.297 -16.540 1.00 0.00 C ATOM 1079 CG2 ILE A 72 -15.247 -9.605 -14.281 1.00 0.00 C ATOM 1080 CD1 ILE A 72 -15.520 -11.168 -16.893 1.00 0.00 C ATOM 0 H ILE A 72 -16.613 -8.399 -17.501 1.00 0.00 H new ATOM 0 HA ILE A 72 -15.174 -7.085 -15.328 1.00 0.00 H new ATOM 0 HB ILE A 72 -13.507 -8.821 -15.292 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -13.914 -9.879 -17.467 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -13.535 -10.948 -16.131 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -14.775 -10.515 -13.910 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -15.191 -8.830 -13.517 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -16.292 -9.808 -14.516 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -15.219 -11.942 -17.598 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -15.910 -11.633 -15.988 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -16.294 -10.548 -17.344 1.00 0.00 H new ATOM 1092 N PRO A 73 -13.197 -6.573 -17.003 1.00 0.00 N ATOM 1093 CA PRO A 73 -12.835 -6.031 -15.699 1.00 0.00 C ATOM 1094 C PRO A 73 -13.809 -4.904 -15.350 1.00 0.00 C ATOM 1095 O PRO A 73 -14.158 -4.097 -16.216 1.00 0.00 O ATOM 1096 CB PRO A 73 -11.399 -5.514 -15.833 1.00 0.00 C ATOM 1097 CG PRO A 73 -11.253 -5.217 -17.325 1.00 0.00 C ATOM 1098 CD PRO A 73 -12.202 -6.210 -17.997 1.00 0.00 C ATOM 0 HA PRO A 73 -12.890 -6.773 -14.903 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -11.238 -4.620 -15.230 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -10.674 -6.257 -15.501 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -11.525 -4.187 -17.555 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -10.226 -5.358 -17.661 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -12.674 -5.763 -18.872 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -11.660 -7.091 -18.342 1.00 0.00 H new ATOM 1106 N THR A 74 -14.217 -4.834 -14.087 1.00 0.00 N ATOM 1107 CA THR A 74 -15.074 -3.778 -13.586 1.00 0.00 C ATOM 1108 C THR A 74 -14.424 -3.250 -12.317 1.00 0.00 C ATOM 1109 O THR A 74 -14.285 -3.952 -11.316 1.00 0.00 O ATOM 1110 CB THR A 74 -16.512 -4.269 -13.379 1.00 0.00 C ATOM 1111 OG1 THR A 74 -17.057 -4.687 -14.613 1.00 0.00 O ATOM 1112 CG2 THR A 74 -17.389 -3.145 -12.821 1.00 0.00 C ATOM 0 H THR A 74 -13.956 -5.520 -13.378 1.00 0.00 H new ATOM 0 HA THR A 74 -15.168 -2.967 -14.308 1.00 0.00 H new ATOM 0 HB THR A 74 -16.489 -5.100 -12.673 1.00 0.00 H new ATOM 0 HG1 THR A 74 -17.321 -5.629 -14.552 1.00 0.00 H new ATOM 0 HG21 THR A 74 -18.406 -3.512 -12.681 1.00 0.00 H new ATOM 0 HG22 THR A 74 -16.988 -2.812 -11.864 1.00 0.00 H new ATOM 0 HG23 THR A 74 -17.398 -2.309 -13.521 1.00 0.00 H new ATOM 1120 N LEU A 75 -13.975 -2.006 -12.399 1.00 0.00 N ATOM 1121 CA LEU A 75 -13.422 -1.291 -11.274 1.00 0.00 C ATOM 1122 C LEU A 75 -14.590 -0.752 -10.464 1.00 0.00 C ATOM 1123 O LEU A 75 -15.606 -0.328 -11.018 1.00 0.00 O ATOM 1124 CB LEU A 75 -12.521 -0.149 -11.760 1.00 0.00 C ATOM 1125 CG LEU A 75 -11.302 -0.614 -12.581 1.00 0.00 C ATOM 1126 CD1 LEU A 75 -10.505 0.607 -13.036 1.00 0.00 C ATOM 1127 CD2 LEU A 75 -10.380 -1.563 -11.807 1.00 0.00 C ATOM 0 H LEU A 75 -13.988 -1.464 -13.263 1.00 0.00 H new ATOM 0 HA LEU A 75 -12.807 -1.949 -10.660 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -13.115 0.535 -12.367 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -12.170 0.415 -10.896 1.00 0.00 H new ATOM 0 HG LEU A 75 -11.686 -1.171 -13.436 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -9.642 0.282 -13.617 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -11.138 1.246 -13.652 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -10.166 1.166 -12.164 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -9.542 -1.853 -12.441 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -10.004 -1.059 -10.916 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -10.937 -2.452 -11.513 1.00 0.00 H new ATOM 1139 N LEU A 76 -14.417 -0.730 -9.151 1.00 0.00 N ATOM 1140 CA LEU A 76 -15.396 -0.279 -8.180 1.00 0.00 C ATOM 1141 C LEU A 76 -14.618 0.675 -7.292 1.00 0.00 C ATOM 1142 O LEU A 76 -13.564 0.294 -6.784 1.00 0.00 O ATOM 1143 CB LEU A 76 -15.925 -1.494 -7.380 1.00 0.00 C ATOM 1144 CG LEU A 76 -17.425 -1.806 -7.496 1.00 0.00 C ATOM 1145 CD1 LEU A 76 -18.270 -0.700 -6.871 1.00 0.00 C ATOM 1146 CD2 LEU A 76 -17.844 -2.071 -8.942 1.00 0.00 C ATOM 0 H LEU A 76 -13.549 -1.041 -8.716 1.00 0.00 H new ATOM 0 HA LEU A 76 -16.267 0.202 -8.625 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -15.370 -2.377 -7.698 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -15.693 -1.333 -6.327 1.00 0.00 H new ATOM 0 HG LEU A 76 -17.605 -2.723 -6.936 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -19.326 -0.950 -6.969 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -18.017 -0.601 -5.815 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -18.071 0.242 -7.382 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -18.912 -2.287 -8.978 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -17.631 -1.191 -9.549 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -17.288 -2.924 -9.331 1.00 0.00 H new ATOM 1158 N VAL A 77 -15.090 1.902 -7.106 1.00 0.00 N ATOM 1159 CA VAL A 77 -14.393 2.878 -6.287 1.00 0.00 C ATOM 1160 C VAL A 77 -15.263 3.020 -5.056 1.00 0.00 C ATOM 1161 O VAL A 77 -16.453 3.328 -5.170 1.00 0.00 O ATOM 1162 CB VAL A 77 -14.168 4.211 -7.029 1.00 0.00 C ATOM 1163 CG1 VAL A 77 -13.131 5.063 -6.278 1.00 0.00 C ATOM 1164 CG2 VAL A 77 -13.680 4.021 -8.475 1.00 0.00 C ATOM 0 H VAL A 77 -15.959 2.243 -7.516 1.00 0.00 H new ATOM 0 HA VAL A 77 -13.383 2.560 -6.029 1.00 0.00 H new ATOM 0 HB VAL A 77 -15.137 4.708 -7.063 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -12.978 6.002 -6.809 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -13.491 5.270 -5.270 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -12.187 4.521 -6.221 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -13.541 4.996 -8.943 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -12.733 3.481 -8.471 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -14.420 3.451 -9.037 1.00 0.00 H new ATOM 1174 N LEU A 78 -14.680 2.760 -3.892 1.00 0.00 N ATOM 1175 CA LEU A 78 -15.340 2.855 -2.599 1.00 0.00 C ATOM 1176 C LEU A 78 -14.503 3.770 -1.714 1.00 0.00 C ATOM 1177 O LEU A 78 -13.315 3.975 -1.969 1.00 0.00 O ATOM 1178 CB LEU A 78 -15.527 1.466 -1.952 1.00 0.00 C ATOM 1179 CG LEU A 78 -16.424 0.510 -2.772 1.00 0.00 C ATOM 1180 CD1 LEU A 78 -15.604 -0.461 -3.625 1.00 0.00 C ATOM 1181 CD2 LEU A 78 -17.375 -0.289 -1.877 1.00 0.00 C ATOM 0 H LEU A 78 -13.705 2.468 -3.822 1.00 0.00 H new ATOM 0 HA LEU A 78 -16.341 3.269 -2.725 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -14.549 1.004 -1.816 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -15.960 1.593 -0.960 1.00 0.00 H new ATOM 0 HG LEU A 78 -17.011 1.148 -3.433 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -16.277 -1.112 -4.183 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -14.983 0.102 -4.322 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -14.967 -1.065 -2.978 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -17.987 -0.948 -2.493 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -16.796 -0.885 -1.172 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -18.020 0.397 -1.328 1.00 0.00 H new ATOM 1193 N LYS A 79 -15.109 4.318 -0.665 1.00 0.00 N ATOM 1194 CA LYS A 79 -14.429 5.138 0.322 1.00 0.00 C ATOM 1195 C LYS A 79 -15.079 4.864 1.664 1.00 0.00 C ATOM 1196 O LYS A 79 -16.297 4.992 1.775 1.00 0.00 O ATOM 1197 CB LYS A 79 -14.526 6.619 -0.072 1.00 0.00 C ATOM 1198 CG LYS A 79 -13.700 7.514 0.867 1.00 0.00 C ATOM 1199 CD LYS A 79 -13.686 8.963 0.358 1.00 0.00 C ATOM 1200 CE LYS A 79 -12.594 9.783 1.058 1.00 0.00 C ATOM 1201 NZ LYS A 79 -12.450 11.123 0.446 1.00 0.00 N ATOM 0 H LYS A 79 -16.105 4.200 -0.477 1.00 0.00 H new ATOM 0 HA LYS A 79 -13.368 4.896 0.378 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -14.176 6.746 -1.097 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -15.569 6.934 -0.050 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -14.119 7.480 1.873 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -12.680 7.136 0.934 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -13.518 8.972 -0.719 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -14.659 9.423 0.533 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -12.837 9.888 2.115 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -11.644 9.251 1.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -11.506 11.503 0.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -12.566 11.048 -0.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -13.176 11.760 0.831 1.00 0.00 H new ATOM 1215 N ASP A 80 -14.271 4.505 2.664 1.00 0.00 N ATOM 1216 CA ASP A 80 -14.681 4.310 4.058 1.00 0.00 C ATOM 1217 C ASP A 80 -15.995 3.512 4.209 1.00 0.00 C ATOM 1218 O ASP A 80 -16.815 3.783 5.088 1.00 0.00 O ATOM 1219 CB ASP A 80 -14.693 5.670 4.777 1.00 0.00 C ATOM 1220 CG ASP A 80 -14.885 5.540 6.300 1.00 0.00 C ATOM 1221 OD1 ASP A 80 -14.203 4.706 6.935 1.00 0.00 O ATOM 1222 OD2 ASP A 80 -15.671 6.322 6.883 1.00 0.00 O ATOM 0 H ASP A 80 -13.275 4.336 2.520 1.00 0.00 H new ATOM 0 HA ASP A 80 -13.945 3.673 4.549 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -13.756 6.190 4.577 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -15.493 6.286 4.366 1.00 0.00 H new ATOM 1227 N GLY A 81 -16.210 2.529 3.327 1.00 0.00 N ATOM 1228 CA GLY A 81 -17.271 1.538 3.444 1.00 0.00 C ATOM 1229 C GLY A 81 -18.439 1.723 2.477 1.00 0.00 C ATOM 1230 O GLY A 81 -19.362 0.908 2.522 1.00 0.00 O ATOM 0 H GLY A 81 -15.634 2.403 2.495 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -16.842 0.549 3.286 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -17.656 1.559 4.463 1.00 0.00 H new ATOM 1234 N GLU A 82 -18.434 2.738 1.603 1.00 0.00 N ATOM 1235 CA GLU A 82 -19.517 2.978 0.657 1.00 0.00 C ATOM 1236 C GLU A 82 -18.955 3.178 -0.749 1.00 0.00 C ATOM 1237 O GLU A 82 -17.859 3.711 -0.914 1.00 0.00 O ATOM 1238 CB GLU A 82 -20.370 4.160 1.145 1.00 0.00 C ATOM 1239 CG GLU A 82 -19.771 5.558 0.926 1.00 0.00 C ATOM 1240 CD GLU A 82 -20.688 6.653 1.501 1.00 0.00 C ATOM 1241 OE1 GLU A 82 -21.587 7.144 0.781 1.00 0.00 O ATOM 1242 OE2 GLU A 82 -20.515 7.048 2.677 1.00 0.00 O ATOM 0 H GLU A 82 -17.674 3.415 1.537 1.00 0.00 H new ATOM 0 HA GLU A 82 -20.174 2.110 0.603 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -21.336 4.117 0.642 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -20.559 4.030 2.211 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -18.791 5.615 1.400 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -19.620 5.729 -0.140 1.00 0.00 H new ATOM 1249 N VAL A 83 -19.693 2.725 -1.764 1.00 0.00 N ATOM 1250 CA VAL A 83 -19.356 2.927 -3.163 1.00 0.00 C ATOM 1251 C VAL A 83 -19.539 4.399 -3.522 1.00 0.00 C ATOM 1252 O VAL A 83 -20.486 5.060 -3.084 1.00 0.00 O ATOM 1253 CB VAL A 83 -20.146 1.924 -4.033 1.00 0.00 C ATOM 1254 CG1 VAL A 83 -21.673 2.060 -3.936 1.00 0.00 C ATOM 1255 CG2 VAL A 83 -19.705 1.987 -5.498 1.00 0.00 C ATOM 0 H VAL A 83 -20.556 2.199 -1.628 1.00 0.00 H new ATOM 0 HA VAL A 83 -18.306 2.713 -3.363 1.00 0.00 H new ATOM 0 HB VAL A 83 -19.902 0.946 -3.618 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -22.146 1.317 -4.579 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -21.988 1.901 -2.905 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -21.970 3.059 -4.256 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -20.280 1.269 -6.082 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -19.876 2.991 -5.887 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -18.644 1.746 -5.569 1.00 0.00 H new ATOM 1265 N VAL A 84 -18.612 4.889 -4.339 1.00 0.00 N ATOM 1266 CA VAL A 84 -18.556 6.249 -4.837 1.00 0.00 C ATOM 1267 C VAL A 84 -18.379 6.264 -6.362 1.00 0.00 C ATOM 1268 O VAL A 84 -18.710 7.285 -6.963 1.00 0.00 O ATOM 1269 CB VAL A 84 -17.481 7.069 -4.082 1.00 0.00 C ATOM 1270 CG1 VAL A 84 -17.809 7.199 -2.585 1.00 0.00 C ATOM 1271 CG2 VAL A 84 -16.060 6.500 -4.212 1.00 0.00 C ATOM 0 H VAL A 84 -17.843 4.315 -4.686 1.00 0.00 H new ATOM 0 HA VAL A 84 -19.508 6.742 -4.637 1.00 0.00 H new ATOM 0 HB VAL A 84 -17.502 8.047 -4.563 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -17.031 7.781 -2.091 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -18.769 7.701 -2.465 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -17.860 6.207 -2.136 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -15.364 7.129 -3.657 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -16.035 5.487 -3.809 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -15.771 6.480 -5.263 1.00 0.00 H new ATOM 1281 N GLU A 85 -17.949 5.165 -7.009 1.00 0.00 N ATOM 1282 CA GLU A 85 -17.975 5.073 -8.480 1.00 0.00 C ATOM 1283 C GLU A 85 -17.910 3.615 -8.959 1.00 0.00 C ATOM 1284 O GLU A 85 -17.618 2.707 -8.180 1.00 0.00 O ATOM 1285 CB GLU A 85 -16.827 5.906 -9.110 1.00 0.00 C ATOM 1286 CG GLU A 85 -17.301 7.087 -9.978 1.00 0.00 C ATOM 1287 CD GLU A 85 -17.984 6.667 -11.293 1.00 0.00 C ATOM 1288 OE1 GLU A 85 -19.002 5.941 -11.250 1.00 0.00 O ATOM 1289 OE2 GLU A 85 -17.533 7.102 -12.378 1.00 0.00 O ATOM 0 H GLU A 85 -17.583 4.336 -6.541 1.00 0.00 H new ATOM 0 HA GLU A 85 -18.926 5.489 -8.813 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -16.192 6.290 -8.311 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -16.209 5.247 -9.720 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -17.996 7.694 -9.398 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -16.444 7.719 -10.212 1.00 0.00 H new ATOM 1296 N THR A 86 -18.160 3.380 -10.248 1.00 0.00 N ATOM 1297 CA THR A 86 -17.966 2.109 -10.945 1.00 0.00 C ATOM 1298 C THR A 86 -17.557 2.419 -12.395 1.00 0.00 C ATOM 1299 O THR A 86 -18.097 3.349 -13.002 1.00 0.00 O ATOM 1300 CB THR A 86 -19.274 1.298 -10.869 1.00 0.00 C ATOM 1301 OG1 THR A 86 -19.548 0.972 -9.522 1.00 0.00 O ATOM 1302 CG2 THR A 86 -19.273 0.012 -11.706 1.00 0.00 C ATOM 0 H THR A 86 -18.521 4.108 -10.864 1.00 0.00 H new ATOM 0 HA THR A 86 -17.179 1.510 -10.487 1.00 0.00 H new ATOM 0 HB THR A 86 -20.048 1.938 -11.292 1.00 0.00 H new ATOM 0 HG1 THR A 86 -20.381 0.458 -9.473 1.00 0.00 H new ATOM 0 HG21 THR A 86 -20.231 -0.496 -11.594 1.00 0.00 H new ATOM 0 HG22 THR A 86 -19.115 0.261 -12.755 1.00 0.00 H new ATOM 0 HG23 THR A 86 -18.473 -0.644 -11.364 1.00 0.00 H new ATOM 1310 N SER A 87 -16.638 1.628 -12.959 1.00 0.00 N ATOM 1311 CA SER A 87 -16.095 1.808 -14.308 1.00 0.00 C ATOM 1312 C SER A 87 -15.800 0.431 -14.911 1.00 0.00 C ATOM 1313 O SER A 87 -15.524 -0.506 -14.166 1.00 0.00 O ATOM 1314 CB SER A 87 -14.804 2.643 -14.244 1.00 0.00 C ATOM 1315 OG SER A 87 -14.992 3.868 -13.551 1.00 0.00 O ATOM 0 H SER A 87 -16.241 0.823 -12.475 1.00 0.00 H new ATOM 0 HA SER A 87 -16.819 2.333 -14.931 1.00 0.00 H new ATOM 0 HB2 SER A 87 -14.023 2.064 -13.751 1.00 0.00 H new ATOM 0 HB3 SER A 87 -14.456 2.850 -15.256 1.00 0.00 H new ATOM 0 HG SER A 87 -14.148 4.366 -13.532 1.00 0.00 H new ATOM 1321 N VAL A 88 -15.829 0.282 -16.238 1.00 0.00 N ATOM 1322 CA VAL A 88 -15.730 -1.022 -16.899 1.00 0.00 C ATOM 1323 C VAL A 88 -14.659 -0.939 -17.990 1.00 0.00 C ATOM 1324 O VAL A 88 -14.459 0.118 -18.599 1.00 0.00 O ATOM 1325 CB VAL A 88 -17.119 -1.441 -17.449 1.00 0.00 C ATOM 1326 CG1 VAL A 88 -17.115 -2.866 -18.026 1.00 0.00 C ATOM 1327 CG2 VAL A 88 -18.222 -1.389 -16.376 1.00 0.00 C ATOM 0 H VAL A 88 -15.922 1.064 -16.886 1.00 0.00 H new ATOM 0 HA VAL A 88 -15.428 -1.795 -16.193 1.00 0.00 H new ATOM 0 HB VAL A 88 -17.330 -0.716 -18.235 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -18.110 -3.111 -18.398 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -16.397 -2.925 -18.844 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -16.835 -3.574 -17.246 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -19.172 -1.692 -16.816 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -17.968 -2.066 -15.560 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -18.308 -0.373 -15.991 1.00 0.00 H new ATOM 1337 N GLY A 89 -13.978 -2.055 -18.252 1.00 0.00 N ATOM 1338 CA GLY A 89 -12.980 -2.173 -19.302 1.00 0.00 C ATOM 1339 C GLY A 89 -11.627 -1.603 -18.873 1.00 0.00 C ATOM 1340 O GLY A 89 -11.455 -1.124 -17.750 1.00 0.00 O ATOM 0 H GLY A 89 -14.112 -2.918 -17.725 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -12.862 -3.222 -19.574 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -13.328 -1.650 -20.193 1.00 0.00 H new ATOM 1344 N PHE A 90 -10.657 -1.681 -19.784 1.00 0.00 N ATOM 1345 CA PHE A 90 -9.314 -1.145 -19.587 1.00 0.00 C ATOM 1346 C PHE A 90 -9.359 0.377 -19.390 1.00 0.00 C ATOM 1347 O PHE A 90 -10.226 1.059 -19.948 1.00 0.00 O ATOM 1348 CB PHE A 90 -8.450 -1.518 -20.805 1.00 0.00 C ATOM 1349 CG PHE A 90 -7.021 -1.007 -20.742 1.00 0.00 C ATOM 1350 CD1 PHE A 90 -6.032 -1.757 -20.080 1.00 0.00 C ATOM 1351 CD2 PHE A 90 -6.685 0.233 -21.325 1.00 0.00 C ATOM 1352 CE1 PHE A 90 -4.716 -1.269 -20.000 1.00 0.00 C ATOM 1353 CE2 PHE A 90 -5.372 0.725 -21.232 1.00 0.00 C ATOM 1354 CZ PHE A 90 -4.386 -0.027 -20.568 1.00 0.00 C ATOM 0 H PHE A 90 -10.786 -2.126 -20.693 1.00 0.00 H new ATOM 0 HA PHE A 90 -8.876 -1.576 -18.687 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -8.431 -2.603 -20.902 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -8.924 -1.126 -21.705 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -6.284 -2.708 -19.633 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -7.439 0.806 -21.844 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -3.956 -1.851 -19.500 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -5.120 1.680 -21.670 1.00 0.00 H new ATOM 0 HZ PHE A 90 -3.377 0.350 -20.495 1.00 0.00 H new ATOM 1364 N LYS A 91 -8.394 0.914 -18.636 1.00 0.00 N ATOM 1365 CA LYS A 91 -8.112 2.344 -18.533 1.00 0.00 C ATOM 1366 C LYS A 91 -6.605 2.508 -18.318 1.00 0.00 C ATOM 1367 O LYS A 91 -6.003 1.648 -17.672 1.00 0.00 O ATOM 1368 CB LYS A 91 -8.869 3.009 -17.367 1.00 0.00 C ATOM 1369 CG LYS A 91 -10.251 3.539 -17.779 1.00 0.00 C ATOM 1370 CD LYS A 91 -11.406 2.644 -17.307 1.00 0.00 C ATOM 1371 CE LYS A 91 -12.686 2.983 -18.083 1.00 0.00 C ATOM 1372 NZ LYS A 91 -12.773 2.247 -19.368 1.00 0.00 N ATOM 0 H LYS A 91 -7.770 0.345 -18.064 1.00 0.00 H new ATOM 0 HA LYS A 91 -8.445 2.832 -19.449 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -8.988 2.287 -16.559 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -8.272 3.832 -16.974 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -10.386 4.541 -17.371 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -10.290 3.629 -18.865 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -11.148 1.595 -17.456 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -11.571 2.783 -16.239 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -13.555 2.744 -17.470 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -12.718 4.055 -18.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -13.119 2.887 -20.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -11.831 1.890 -19.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -13.430 1.447 -19.266 1.00 0.00 H new ATOM 1386 N PRO A 92 -6.000 3.597 -18.823 1.00 0.00 N ATOM 1387 CA PRO A 92 -4.601 3.915 -18.582 1.00 0.00 C ATOM 1388 C PRO A 92 -4.407 4.427 -17.150 1.00 0.00 C ATOM 1389 O PRO A 92 -5.350 4.922 -16.525 1.00 0.00 O ATOM 1390 CB PRO A 92 -4.266 4.990 -19.618 1.00 0.00 C ATOM 1391 CG PRO A 92 -5.586 5.740 -19.792 1.00 0.00 C ATOM 1392 CD PRO A 92 -6.626 4.632 -19.639 1.00 0.00 C ATOM 0 HA PRO A 92 -3.948 3.048 -18.679 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -3.472 5.650 -19.269 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -3.927 4.551 -20.556 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -5.711 6.519 -19.040 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -5.651 6.224 -20.766 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -7.530 5.010 -19.162 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -6.920 4.237 -20.611 1.00 0.00 H new ATOM 1400 N LYS A 93 -3.164 4.384 -16.650 1.00 0.00 N ATOM 1401 CA LYS A 93 -2.828 4.843 -15.297 1.00 0.00 C ATOM 1402 C LYS A 93 -3.281 6.281 -15.094 1.00 0.00 C ATOM 1403 O LYS A 93 -3.803 6.591 -14.030 1.00 0.00 O ATOM 1404 CB LYS A 93 -1.314 4.708 -15.041 1.00 0.00 C ATOM 1405 CG LYS A 93 -0.875 5.195 -13.643 1.00 0.00 C ATOM 1406 CD LYS A 93 0.655 5.283 -13.575 1.00 0.00 C ATOM 1407 CE LYS A 93 1.088 6.121 -12.366 1.00 0.00 C ATOM 1408 NZ LYS A 93 2.560 6.318 -12.331 1.00 0.00 N ATOM 0 H LYS A 93 -2.364 4.030 -17.173 1.00 0.00 H new ATOM 0 HA LYS A 93 -3.354 4.214 -14.579 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -1.026 3.663 -15.159 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -0.774 5.275 -15.800 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -1.313 6.171 -13.435 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -1.243 4.511 -12.878 1.00 0.00 H new ATOM 0 HD2 LYS A 93 1.081 4.282 -13.503 1.00 0.00 H new ATOM 0 HD3 LYS A 93 1.041 5.729 -14.492 1.00 0.00 H new ATOM 0 HE2 LYS A 93 0.592 7.091 -12.400 1.00 0.00 H new ATOM 0 HE3 LYS A 93 0.765 5.629 -11.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 2.805 6.972 -11.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 3.029 5.404 -12.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 2.878 6.717 -13.237 1.00 0.00 H new ATOM 1422 N GLU A 94 -3.098 7.154 -16.089 1.00 0.00 N ATOM 1423 CA GLU A 94 -3.382 8.572 -15.956 1.00 0.00 C ATOM 1424 C GLU A 94 -4.855 8.803 -15.609 1.00 0.00 C ATOM 1425 O GLU A 94 -5.161 9.600 -14.721 1.00 0.00 O ATOM 1426 CB GLU A 94 -2.967 9.277 -17.255 1.00 0.00 C ATOM 1427 CG GLU A 94 -3.014 10.799 -17.102 1.00 0.00 C ATOM 1428 CD GLU A 94 -2.532 11.515 -18.376 1.00 0.00 C ATOM 1429 OE1 GLU A 94 -3.357 11.786 -19.277 1.00 0.00 O ATOM 1430 OE2 GLU A 94 -1.326 11.833 -18.483 1.00 0.00 O ATOM 0 H GLU A 94 -2.747 6.889 -17.009 1.00 0.00 H new ATOM 0 HA GLU A 94 -2.807 8.996 -15.133 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -1.959 8.968 -17.533 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -3.629 8.970 -18.065 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -4.033 11.110 -16.873 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -2.392 11.099 -16.259 1.00 0.00 H new ATOM 1437 N ALA A 95 -5.756 8.056 -16.251 1.00 0.00 N ATOM 1438 CA ALA A 95 -7.180 8.123 -15.976 1.00 0.00 C ATOM 1439 C ALA A 95 -7.484 7.618 -14.570 1.00 0.00 C ATOM 1440 O ALA A 95 -8.271 8.233 -13.854 1.00 0.00 O ATOM 1441 CB ALA A 95 -7.935 7.272 -16.995 1.00 0.00 C ATOM 0 H ALA A 95 -5.509 7.386 -16.979 1.00 0.00 H new ATOM 0 HA ALA A 95 -7.499 9.163 -16.049 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -9.004 7.322 -16.789 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -7.741 7.649 -17.999 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -7.600 6.237 -16.925 1.00 0.00 H new ATOM 1447 N LEU A 96 -6.859 6.508 -14.166 1.00 0.00 N ATOM 1448 CA LEU A 96 -7.084 5.924 -12.853 1.00 0.00 C ATOM 1449 C LEU A 96 -6.610 6.883 -11.770 1.00 0.00 C ATOM 1450 O LEU A 96 -7.346 7.119 -10.817 1.00 0.00 O ATOM 1451 CB LEU A 96 -6.386 4.561 -12.699 1.00 0.00 C ATOM 1452 CG LEU A 96 -6.867 3.452 -13.654 1.00 0.00 C ATOM 1453 CD1 LEU A 96 -6.185 2.128 -13.291 1.00 0.00 C ATOM 1454 CD2 LEU A 96 -8.387 3.267 -13.621 1.00 0.00 C ATOM 0 H LEU A 96 -6.189 5.997 -14.740 1.00 0.00 H new ATOM 0 HA LEU A 96 -8.155 5.754 -12.747 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -5.315 4.703 -12.847 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -6.523 4.217 -11.674 1.00 0.00 H new ATOM 0 HG LEU A 96 -6.596 3.757 -14.665 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -6.527 1.345 -13.968 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -5.104 2.239 -13.381 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -6.438 1.857 -12.266 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -8.672 2.474 -14.312 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -8.699 2.999 -12.612 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -8.873 4.197 -13.916 1.00 0.00 H new ATOM 1466 N GLN A 97 -5.420 7.473 -11.909 1.00 0.00 N ATOM 1467 CA GLN A 97 -4.900 8.364 -10.879 1.00 0.00 C ATOM 1468 C GLN A 97 -5.684 9.680 -10.856 1.00 0.00 C ATOM 1469 O GLN A 97 -5.805 10.298 -9.799 1.00 0.00 O ATOM 1470 CB GLN A 97 -3.372 8.534 -10.972 1.00 0.00 C ATOM 1471 CG GLN A 97 -2.818 9.228 -12.218 1.00 0.00 C ATOM 1472 CD GLN A 97 -2.873 10.752 -12.144 1.00 0.00 C ATOM 1473 OE1 GLN A 97 -2.202 11.384 -11.332 1.00 0.00 O ATOM 1474 NE2 GLN A 97 -3.670 11.376 -12.993 1.00 0.00 N ATOM 0 H GLN A 97 -4.808 7.350 -12.716 1.00 0.00 H new ATOM 0 HA GLN A 97 -5.060 7.900 -9.906 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -3.041 9.095 -10.098 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -2.918 7.545 -10.907 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -1.784 8.917 -12.368 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -3.381 8.894 -13.090 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -4.222 10.840 -13.662 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -3.733 12.394 -12.979 1.00 0.00 H new ATOM 1483 N GLU A 98 -6.261 10.097 -11.989 1.00 0.00 N ATOM 1484 CA GLU A 98 -7.129 11.264 -12.030 1.00 0.00 C ATOM 1485 C GLU A 98 -8.409 10.954 -11.252 1.00 0.00 C ATOM 1486 O GLU A 98 -8.786 11.696 -10.344 1.00 0.00 O ATOM 1487 CB GLU A 98 -7.411 11.656 -13.493 1.00 0.00 C ATOM 1488 CG GLU A 98 -8.310 12.890 -13.659 1.00 0.00 C ATOM 1489 CD GLU A 98 -7.624 14.188 -13.207 1.00 0.00 C ATOM 1490 OE1 GLU A 98 -6.943 14.841 -14.029 1.00 0.00 O ATOM 1491 OE2 GLU A 98 -7.777 14.567 -12.024 1.00 0.00 O ATOM 0 H GLU A 98 -6.137 9.636 -12.890 1.00 0.00 H new ATOM 0 HA GLU A 98 -6.646 12.120 -11.559 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -6.462 11.843 -13.995 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -7.878 10.811 -13.999 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -8.602 12.983 -14.705 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -9.225 12.748 -13.084 1.00 0.00 H new ATOM 1498 N LEU A 99 -9.033 9.814 -11.562 1.00 0.00 N ATOM 1499 CA LEU A 99 -10.268 9.380 -10.922 1.00 0.00 C ATOM 1500 C LEU A 99 -10.060 9.261 -9.413 1.00 0.00 C ATOM 1501 O LEU A 99 -10.856 9.786 -8.639 1.00 0.00 O ATOM 1502 CB LEU A 99 -10.723 8.046 -11.542 1.00 0.00 C ATOM 1503 CG LEU A 99 -12.006 7.457 -10.920 1.00 0.00 C ATOM 1504 CD1 LEU A 99 -13.206 8.400 -11.053 1.00 0.00 C ATOM 1505 CD2 LEU A 99 -12.328 6.127 -11.612 1.00 0.00 C ATOM 0 H LEU A 99 -8.689 9.165 -12.270 1.00 0.00 H new ATOM 0 HA LEU A 99 -11.053 10.117 -11.088 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -10.886 8.193 -12.610 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -9.918 7.319 -11.440 1.00 0.00 H new ATOM 0 HG LEU A 99 -11.823 7.310 -9.856 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -14.083 7.939 -10.600 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -12.988 9.340 -10.546 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -13.402 8.593 -12.108 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -13.234 5.702 -11.180 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -12.481 6.299 -12.677 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -11.499 5.434 -11.471 1.00 0.00 H new ATOM 1517 N VAL A 100 -8.973 8.611 -8.993 1.00 0.00 N ATOM 1518 CA VAL A 100 -8.660 8.415 -7.590 1.00 0.00 C ATOM 1519 C VAL A 100 -8.445 9.768 -6.917 1.00 0.00 C ATOM 1520 O VAL A 100 -9.036 9.988 -5.862 1.00 0.00 O ATOM 1521 CB VAL A 100 -7.455 7.465 -7.446 1.00 0.00 C ATOM 1522 CG1 VAL A 100 -6.888 7.455 -6.018 1.00 0.00 C ATOM 1523 CG2 VAL A 100 -7.881 6.034 -7.819 1.00 0.00 C ATOM 0 H VAL A 100 -8.285 8.206 -9.627 1.00 0.00 H new ATOM 0 HA VAL A 100 -9.495 7.936 -7.079 1.00 0.00 H new ATOM 0 HB VAL A 100 -6.676 7.827 -8.117 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -6.041 6.771 -5.968 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -6.560 8.459 -5.750 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -7.660 7.128 -5.322 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -7.029 5.362 -7.717 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -8.681 5.708 -7.155 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -8.235 6.017 -8.850 1.00 0.00 H new ATOM 1533 N ASN A 101 -7.666 10.692 -7.499 1.00 0.00 N ATOM 1534 CA ASN A 101 -7.411 11.979 -6.839 1.00 0.00 C ATOM 1535 C ASN A 101 -8.710 12.750 -6.604 1.00 0.00 C ATOM 1536 O ASN A 101 -8.858 13.393 -5.566 1.00 0.00 O ATOM 1537 CB ASN A 101 -6.337 12.827 -7.547 1.00 0.00 C ATOM 1538 CG ASN A 101 -6.848 13.834 -8.573 1.00 0.00 C ATOM 1539 OD1 ASN A 101 -7.593 14.771 -8.292 1.00 0.00 O ATOM 1540 ND2 ASN A 101 -6.398 13.677 -9.797 1.00 0.00 N ATOM 0 H ASN A 101 -7.211 10.576 -8.405 1.00 0.00 H new ATOM 0 HA ASN A 101 -6.989 11.748 -5.861 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -5.771 13.367 -6.788 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -5.640 12.153 -8.045 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -6.666 14.337 -10.527 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -5.781 12.895 -10.017 1.00 0.00 H new ATOM 1547 N LYS A 102 -9.677 12.635 -7.523 1.00 0.00 N ATOM 1548 CA LYS A 102 -10.993 13.252 -7.364 1.00 0.00 C ATOM 1549 C LYS A 102 -11.859 12.578 -6.288 1.00 0.00 C ATOM 1550 O LYS A 102 -12.877 13.164 -5.912 1.00 0.00 O ATOM 1551 CB LYS A 102 -11.707 13.335 -8.728 1.00 0.00 C ATOM 1552 CG LYS A 102 -11.007 14.274 -9.734 1.00 0.00 C ATOM 1553 CD LYS A 102 -11.039 15.752 -9.301 1.00 0.00 C ATOM 1554 CE LYS A 102 -10.292 16.688 -10.260 1.00 0.00 C ATOM 1555 NZ LYS A 102 -8.835 16.418 -10.305 1.00 0.00 N ATOM 0 H LYS A 102 -9.567 12.113 -8.393 1.00 0.00 H new ATOM 0 HA LYS A 102 -10.834 14.265 -6.996 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -11.768 12.335 -9.158 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -12.730 13.679 -8.573 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -9.971 13.959 -9.856 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -11.486 14.176 -10.708 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -12.077 16.077 -9.224 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -10.602 15.840 -8.306 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -10.708 16.582 -11.262 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -10.456 17.721 -9.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -8.315 17.318 -10.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -8.562 15.849 -9.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -8.605 15.897 -11.175 1.00 0.00 H new ATOM 1569 N HIS A 103 -11.471 11.416 -5.748 1.00 0.00 N ATOM 1570 CA HIS A 103 -12.133 10.782 -4.606 1.00 0.00 C ATOM 1571 C HIS A 103 -11.309 10.846 -3.311 1.00 0.00 C ATOM 1572 O HIS A 103 -11.892 10.647 -2.244 1.00 0.00 O ATOM 1573 CB HIS A 103 -12.497 9.327 -4.939 1.00 0.00 C ATOM 1574 CG HIS A 103 -13.620 9.207 -5.940 1.00 0.00 C ATOM 1575 ND1 HIS A 103 -14.948 9.507 -5.724 1.00 0.00 N ATOM 1576 CD2 HIS A 103 -13.515 8.756 -7.226 1.00 0.00 C ATOM 1577 CE1 HIS A 103 -15.623 9.237 -6.854 1.00 0.00 C ATOM 1578 NE2 HIS A 103 -14.789 8.778 -7.806 1.00 0.00 N ATOM 0 H HIS A 103 -10.675 10.883 -6.099 1.00 0.00 H new ATOM 0 HA HIS A 103 -13.042 11.354 -4.420 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -11.615 8.820 -5.330 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -12.781 8.812 -4.021 1.00 0.00 H new ATOM 0 HD1 HIS A 103 -15.348 9.870 -4.859 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -12.605 8.437 -7.712 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -16.687 9.370 -6.981 1.00 0.00 H new ATOM 1586 N LEU A 104 -9.998 11.121 -3.358 1.00 0.00 N ATOM 1587 CA LEU A 104 -9.174 11.318 -2.160 1.00 0.00 C ATOM 1588 C LEU A 104 -9.770 12.429 -1.301 1.00 0.00 C ATOM 1589 O LEU A 104 -10.040 13.528 -1.832 1.00 0.00 O ATOM 1590 CB LEU A 104 -7.703 11.635 -2.494 1.00 0.00 C ATOM 1591 CG LEU A 104 -6.883 10.499 -3.135 1.00 0.00 C ATOM 1592 CD1 LEU A 104 -5.440 10.965 -3.342 1.00 0.00 C ATOM 1593 CD2 LEU A 104 -6.880 9.206 -2.311 1.00 0.00 C ATOM 1594 OXT LEU A 104 -9.957 12.200 -0.088 1.00 0.00 O ATOM 0 H LEU A 104 -9.479 11.213 -4.231 1.00 0.00 H new ATOM 0 HA LEU A 104 -9.176 10.378 -1.608 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -7.683 12.492 -3.167 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -7.203 11.940 -1.575 1.00 0.00 H new ATOM 0 HG LEU A 104 -7.363 10.268 -4.086 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -4.860 10.161 -3.795 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -5.429 11.835 -3.998 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -5.002 11.231 -2.380 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -6.284 8.450 -2.822 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -6.452 9.402 -1.328 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -7.902 8.845 -2.196 1.00 0.00 H new TER 1606 LEU A 104