USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 806 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 102 LYS NZ :NH3+ 164:sc= 2.4 (180deg=1.17) USER MOD Set 1.2: A 103 HIS : no HE2:sc= -0.234 K(o=2.2,f=-5.2) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -177:sc= 1.89 (180deg=1.88) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= 1.05 K(o=1,f=-0.0081) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot -85:sc= 1.28 USER MOD Single : A 16 SER OG : rot 66:sc= 1.33 USER MOD Single : A 33 LYS NZ :NH3+ 160:sc= 1.54 (180deg=1.09) USER MOD Single : A 34 MET CE :methyl -152:sc= -0.105 (180deg=-0.322) USER MOD Single : A 44 GLN : amide:sc= 0.0486 X(o=0.049,f=0) USER MOD Single : A 46 MET CE :methyl -120:sc= 0 (180deg=-0.00036) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 3.62 (180deg=3.62) USER MOD Single : A 54 LYS NZ :NH3+ -169:sc= 1.2 (180deg=1.09) USER MOD Single : A 60 ASN : amide:sc= 0.753 K(o=0.75,f=-4.9!) USER MOD Single : A 61 GLN : amide:sc= 0.545 K(o=0.55,f=-0.35) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0418 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot -133:sc= 0.554 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 138:sc= 1.26 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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+ -170:sc= 1.71 (180deg=1.6) USER MOD Single : A 93 LYS NZ :NH3+ -179:sc= 2.47 (180deg=2.41) USER MOD Single : A 97 GLN : amide:sc= 0.506 X(o=0.51,f=0.021) USER MOD Single : A 101 ASN : amide:sc= -0.0355 K(o=-0.035,f=-0.55) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.459 -1.370 1.003 1.00 0.00 N ATOM 2 CA MET A 1 0.470 0.083 0.730 1.00 0.00 C ATOM 3 C MET A 1 1.760 0.476 -0.008 1.00 0.00 C ATOM 4 O MET A 1 1.819 0.320 -1.229 1.00 0.00 O ATOM 5 CB MET A 1 0.165 0.913 2.002 1.00 0.00 C ATOM 6 CG MET A 1 -0.020 2.413 1.716 1.00 0.00 C ATOM 7 SD MET A 1 -1.278 2.843 0.474 1.00 0.00 S ATOM 8 CE MET A 1 -2.800 2.449 1.382 1.00 0.00 C ATOM 0 H1 MET A 1 -0.440 -1.631 1.456 1.00 0.00 H new ATOM 0 H2 MET A 1 0.561 -1.892 0.109 1.00 0.00 H new ATOM 0 H3 MET A 1 1.249 -1.610 1.636 1.00 0.00 H new ATOM 0 HA MET A 1 -0.348 0.330 0.053 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.738 0.525 2.473 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.978 0.783 2.716 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.277 2.911 2.651 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.937 2.821 1.390 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.664 2.660 0.752 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.798 1.394 1.655 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.853 3.057 2.285 1.00 0.00 H new ATOM 20 N ALA A 2 2.779 1.005 0.686 1.00 0.00 N ATOM 21 CA ALA A 2 4.008 1.550 0.111 1.00 0.00 C ATOM 22 C ALA A 2 5.048 1.687 1.233 1.00 0.00 C ATOM 23 O ALA A 2 4.776 1.302 2.379 1.00 0.00 O ATOM 24 CB ALA A 2 3.709 2.933 -0.496 1.00 0.00 C ATOM 0 H ALA A 2 2.764 1.065 1.704 1.00 0.00 H new ATOM 0 HA ALA A 2 4.391 0.892 -0.669 1.00 0.00 H new ATOM 0 HB1 ALA A 2 4.621 3.346 -0.927 1.00 0.00 H new ATOM 0 HB2 ALA A 2 2.953 2.833 -1.275 1.00 0.00 H new ATOM 0 HB3 ALA A 2 3.341 3.601 0.283 1.00 0.00 H new ATOM 30 N ILE A 3 6.219 2.255 0.932 1.00 0.00 N ATOM 31 CA ILE A 3 7.155 2.700 1.962 1.00 0.00 C ATOM 32 C ILE A 3 6.580 4.009 2.529 1.00 0.00 C ATOM 33 O ILE A 3 6.025 4.831 1.795 1.00 0.00 O ATOM 34 CB ILE A 3 8.571 2.887 1.368 1.00 0.00 C ATOM 35 CG1 ILE A 3 9.119 1.563 0.782 1.00 0.00 C ATOM 36 CG2 ILE A 3 9.588 3.411 2.405 1.00 0.00 C ATOM 37 CD1 ILE A 3 9.829 1.804 -0.547 1.00 0.00 C ATOM 0 H ILE A 3 6.540 2.417 -0.022 1.00 0.00 H new ATOM 0 HA ILE A 3 7.264 1.963 2.757 1.00 0.00 H new ATOM 0 HB ILE A 3 8.458 3.630 0.578 1.00 0.00 H new ATOM 0 HG12 ILE A 3 9.811 1.107 1.490 1.00 0.00 H new ATOM 0 HG13 ILE A 3 8.300 0.859 0.638 1.00 0.00 H new ATOM 0 HG21 ILE A 3 10.564 3.523 1.933 1.00 0.00 H new ATOM 0 HG22 ILE A 3 9.255 4.377 2.785 1.00 0.00 H new ATOM 0 HG23 ILE A 3 9.663 2.703 3.230 1.00 0.00 H new ATOM 0 HD11 ILE A 3 10.204 0.857 -0.936 1.00 0.00 H new ATOM 0 HD12 ILE A 3 9.128 2.238 -1.261 1.00 0.00 H new ATOM 0 HD13 ILE A 3 10.663 2.490 -0.395 1.00 0.00 H new ATOM 49 N VAL A 4 6.747 4.213 3.832 1.00 0.00 N ATOM 50 CA VAL A 4 6.235 5.334 4.611 1.00 0.00 C ATOM 51 C VAL A 4 7.390 5.786 5.517 1.00 0.00 C ATOM 52 O VAL A 4 8.345 5.034 5.731 1.00 0.00 O ATOM 53 CB VAL A 4 4.989 4.867 5.414 1.00 0.00 C ATOM 54 CG1 VAL A 4 4.238 6.013 6.110 1.00 0.00 C ATOM 55 CG2 VAL A 4 3.961 4.118 4.543 1.00 0.00 C ATOM 0 H VAL A 4 7.277 3.558 4.408 1.00 0.00 H new ATOM 0 HA VAL A 4 5.910 6.171 3.993 1.00 0.00 H new ATOM 0 HB VAL A 4 5.411 4.198 6.164 1.00 0.00 H new ATOM 0 HG11 VAL A 4 3.381 5.611 6.650 1.00 0.00 H new ATOM 0 HG12 VAL A 4 4.906 6.514 6.811 1.00 0.00 H new ATOM 0 HG13 VAL A 4 3.893 6.728 5.363 1.00 0.00 H new ATOM 0 HG21 VAL A 4 3.113 3.817 5.159 1.00 0.00 H new ATOM 0 HG22 VAL A 4 3.614 4.774 3.744 1.00 0.00 H new ATOM 0 HG23 VAL A 4 4.427 3.233 4.110 1.00 0.00 H new ATOM 65 N LYS A 5 7.324 7.008 6.049 1.00 0.00 N ATOM 66 CA LYS A 5 8.223 7.485 7.101 1.00 0.00 C ATOM 67 C LYS A 5 7.337 7.734 8.318 1.00 0.00 C ATOM 68 O LYS A 5 6.238 8.274 8.157 1.00 0.00 O ATOM 69 CB LYS A 5 8.977 8.779 6.716 1.00 0.00 C ATOM 70 CG LYS A 5 10.411 8.573 6.193 1.00 0.00 C ATOM 71 CD LYS A 5 10.571 8.612 4.667 1.00 0.00 C ATOM 72 CE LYS A 5 9.703 7.576 3.946 1.00 0.00 C ATOM 73 NZ LYS A 5 9.916 7.601 2.474 1.00 0.00 N ATOM 0 H LYS A 5 6.636 7.703 5.758 1.00 0.00 H new ATOM 0 HA LYS A 5 9.000 6.744 7.288 1.00 0.00 H new ATOM 0 HB2 LYS A 5 8.401 9.302 5.953 1.00 0.00 H new ATOM 0 HB3 LYS A 5 9.016 9.431 7.589 1.00 0.00 H new ATOM 0 HG2 LYS A 5 11.051 9.341 6.627 1.00 0.00 H new ATOM 0 HG3 LYS A 5 10.776 7.612 6.554 1.00 0.00 H new ATOM 0 HD2 LYS A 5 10.314 9.608 4.306 1.00 0.00 H new ATOM 0 HD3 LYS A 5 11.617 8.441 4.413 1.00 0.00 H new ATOM 0 HE2 LYS A 5 9.932 6.581 4.329 1.00 0.00 H new ATOM 0 HE3 LYS A 5 8.652 7.768 4.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 9.310 6.886 2.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 9.674 8.542 2.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 10.913 7.393 2.264 1.00 0.00 H new ATOM 87 N ALA A 6 7.790 7.370 9.516 1.00 0.00 N ATOM 88 CA ALA A 6 7.024 7.530 10.749 1.00 0.00 C ATOM 89 C ALA A 6 7.922 8.006 11.889 1.00 0.00 C ATOM 90 O ALA A 6 9.149 8.029 11.769 1.00 0.00 O ATOM 91 CB ALA A 6 6.338 6.204 11.109 1.00 0.00 C ATOM 0 H ALA A 6 8.709 6.951 9.659 1.00 0.00 H new ATOM 0 HA ALA A 6 6.259 8.290 10.592 1.00 0.00 H new ATOM 0 HB1 ALA A 6 5.768 6.328 12.030 1.00 0.00 H new ATOM 0 HB2 ALA A 6 5.666 5.911 10.302 1.00 0.00 H new ATOM 0 HB3 ALA A 6 7.093 5.431 11.251 1.00 0.00 H new ATOM 97 N THR A 7 7.289 8.353 13.007 1.00 0.00 N ATOM 98 CA THR A 7 7.923 8.744 14.257 1.00 0.00 C ATOM 99 C THR A 7 7.195 8.050 15.406 1.00 0.00 C ATOM 100 O THR A 7 6.107 7.504 15.206 1.00 0.00 O ATOM 101 CB THR A 7 7.858 10.273 14.438 1.00 0.00 C ATOM 102 OG1 THR A 7 6.542 10.760 14.234 1.00 0.00 O ATOM 103 CG2 THR A 7 8.804 11.032 13.502 1.00 0.00 C ATOM 0 H THR A 7 6.271 8.369 13.065 1.00 0.00 H new ATOM 0 HA THR A 7 8.972 8.448 14.245 1.00 0.00 H new ATOM 0 HB THR A 7 8.174 10.454 15.465 1.00 0.00 H new ATOM 0 HG1 THR A 7 6.530 11.732 14.357 1.00 0.00 H new ATOM 0 HG21 THR A 7 8.710 12.103 13.680 1.00 0.00 H new ATOM 0 HG22 THR A 7 9.831 10.721 13.693 1.00 0.00 H new ATOM 0 HG23 THR A 7 8.545 10.812 12.466 1.00 0.00 H new ATOM 111 N ASP A 8 7.741 8.152 16.619 1.00 0.00 N ATOM 112 CA ASP A 8 7.132 7.735 17.885 1.00 0.00 C ATOM 113 C ASP A 8 5.628 8.028 17.967 1.00 0.00 C ATOM 114 O ASP A 8 4.860 7.208 18.473 1.00 0.00 O ATOM 115 CB ASP A 8 7.857 8.457 19.033 1.00 0.00 C ATOM 116 CG ASP A 8 7.036 8.459 20.334 1.00 0.00 C ATOM 117 OD1 ASP A 8 7.099 7.475 21.105 1.00 0.00 O ATOM 118 OD2 ASP A 8 6.334 9.466 20.586 1.00 0.00 O ATOM 0 H ASP A 8 8.671 8.549 16.753 1.00 0.00 H new ATOM 0 HA ASP A 8 7.239 6.653 17.958 1.00 0.00 H new ATOM 0 HB2 ASP A 8 8.818 7.974 19.213 1.00 0.00 H new ATOM 0 HB3 ASP A 8 8.067 9.485 18.737 1.00 0.00 H new ATOM 123 N GLN A 9 5.209 9.190 17.459 1.00 0.00 N ATOM 124 CA GLN A 9 3.846 9.687 17.575 1.00 0.00 C ATOM 125 C GLN A 9 2.834 8.865 16.763 1.00 0.00 C ATOM 126 O GLN A 9 1.656 8.832 17.130 1.00 0.00 O ATOM 127 CB GLN A 9 3.825 11.151 17.122 1.00 0.00 C ATOM 128 CG GLN A 9 4.634 12.067 18.058 1.00 0.00 C ATOM 129 CD GLN A 9 3.970 12.242 19.427 1.00 0.00 C ATOM 130 OE1 GLN A 9 3.057 13.050 19.588 1.00 0.00 O ATOM 131 NE2 GLN A 9 4.391 11.506 20.445 1.00 0.00 N ATOM 0 H GLN A 9 5.825 9.821 16.946 1.00 0.00 H new ATOM 0 HA GLN A 9 3.542 9.596 18.618 1.00 0.00 H new ATOM 0 HB2 GLN A 9 4.228 11.222 16.112 1.00 0.00 H new ATOM 0 HB3 GLN A 9 2.793 11.500 17.079 1.00 0.00 H new ATOM 0 HG2 GLN A 9 5.633 11.652 18.193 1.00 0.00 H new ATOM 0 HG3 GLN A 9 4.755 13.044 17.589 1.00 0.00 H new ATOM 0 HE21 GLN A 9 5.148 10.836 20.311 1.00 0.00 H new ATOM 0 HE22 GLN A 9 3.958 11.609 21.363 1.00 0.00 H new ATOM 140 N SER A 10 3.278 8.201 15.691 1.00 0.00 N ATOM 141 CA SER A 10 2.395 7.559 14.712 1.00 0.00 C ATOM 142 C SER A 10 2.831 6.138 14.331 1.00 0.00 C ATOM 143 O SER A 10 2.070 5.429 13.672 1.00 0.00 O ATOM 144 CB SER A 10 2.298 8.444 13.460 1.00 0.00 C ATOM 145 OG SER A 10 1.963 9.785 13.795 1.00 0.00 O ATOM 0 H SER A 10 4.269 8.093 15.477 1.00 0.00 H new ATOM 0 HA SER A 10 1.417 7.455 15.182 1.00 0.00 H new ATOM 0 HB2 SER A 10 3.249 8.428 12.927 1.00 0.00 H new ATOM 0 HB3 SER A 10 1.546 8.038 12.783 1.00 0.00 H new ATOM 0 HG SER A 10 1.911 10.323 12.978 1.00 0.00 H new ATOM 151 N PHE A 11 4.019 5.692 14.752 1.00 0.00 N ATOM 152 CA PHE A 11 4.583 4.393 14.400 1.00 0.00 C ATOM 153 C PHE A 11 3.617 3.256 14.732 1.00 0.00 C ATOM 154 O PHE A 11 3.391 2.373 13.902 1.00 0.00 O ATOM 155 CB PHE A 11 5.917 4.221 15.140 1.00 0.00 C ATOM 156 CG PHE A 11 6.644 2.937 14.811 1.00 0.00 C ATOM 157 CD1 PHE A 11 7.535 2.905 13.724 1.00 0.00 C ATOM 158 CD2 PHE A 11 6.430 1.776 15.580 1.00 0.00 C ATOM 159 CE1 PHE A 11 8.224 1.723 13.416 1.00 0.00 C ATOM 160 CE2 PHE A 11 7.110 0.589 15.258 1.00 0.00 C ATOM 161 CZ PHE A 11 8.012 0.564 14.183 1.00 0.00 C ATOM 0 H PHE A 11 4.626 6.240 15.361 1.00 0.00 H new ATOM 0 HA PHE A 11 4.754 4.354 13.324 1.00 0.00 H new ATOM 0 HB2 PHE A 11 6.565 5.064 14.900 1.00 0.00 H new ATOM 0 HB3 PHE A 11 5.732 4.256 16.214 1.00 0.00 H new ATOM 0 HD1 PHE A 11 7.689 3.791 13.126 1.00 0.00 H new ATOM 0 HD2 PHE A 11 5.745 1.798 16.415 1.00 0.00 H new ATOM 0 HE1 PHE A 11 8.918 1.703 12.589 1.00 0.00 H new ATOM 0 HE2 PHE A 11 6.938 -0.305 15.839 1.00 0.00 H new ATOM 0 HZ PHE A 11 8.543 -0.346 13.945 1.00 0.00 H new ATOM 171 N SER A 12 3.010 3.290 15.920 1.00 0.00 N ATOM 172 CA SER A 12 2.092 2.255 16.372 1.00 0.00 C ATOM 173 C SER A 12 0.848 2.173 15.483 1.00 0.00 C ATOM 174 O SER A 12 0.364 1.079 15.193 1.00 0.00 O ATOM 175 CB SER A 12 1.718 2.517 17.835 1.00 0.00 C ATOM 176 OG SER A 12 2.884 2.769 18.610 1.00 0.00 O ATOM 0 H SER A 12 3.145 4.042 16.595 1.00 0.00 H new ATOM 0 HA SER A 12 2.589 1.288 16.298 1.00 0.00 H new ATOM 0 HB2 SER A 12 1.042 3.370 17.897 1.00 0.00 H new ATOM 0 HB3 SER A 12 1.184 1.657 18.240 1.00 0.00 H new ATOM 0 HG SER A 12 2.628 2.936 19.541 1.00 0.00 H new ATOM 182 N ALA A 13 0.345 3.318 15.012 1.00 0.00 N ATOM 183 CA ALA A 13 -0.795 3.356 14.111 1.00 0.00 C ATOM 184 C ALA A 13 -0.409 2.775 12.754 1.00 0.00 C ATOM 185 O ALA A 13 -1.142 1.955 12.199 1.00 0.00 O ATOM 186 CB ALA A 13 -1.320 4.789 13.972 1.00 0.00 C ATOM 0 H ALA A 13 0.719 4.237 15.247 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.597 2.746 14.527 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.173 4.800 13.294 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.628 5.160 14.949 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.532 5.428 13.574 1.00 0.00 H new ATOM 192 N GLU A 14 0.759 3.164 12.235 1.00 0.00 N ATOM 193 CA GLU A 14 1.227 2.705 10.934 1.00 0.00 C ATOM 194 C GLU A 14 1.445 1.191 10.934 1.00 0.00 C ATOM 195 O GLU A 14 1.147 0.533 9.935 1.00 0.00 O ATOM 196 CB GLU A 14 2.514 3.435 10.502 1.00 0.00 C ATOM 197 CG GLU A 14 2.298 4.899 10.080 1.00 0.00 C ATOM 198 CD GLU A 14 1.283 5.084 8.933 1.00 0.00 C ATOM 199 OE1 GLU A 14 1.076 4.143 8.133 1.00 0.00 O ATOM 200 OE2 GLU A 14 0.685 6.180 8.832 1.00 0.00 O ATOM 0 H GLU A 14 1.400 3.803 12.706 1.00 0.00 H new ATOM 0 HA GLU A 14 0.450 2.943 10.208 1.00 0.00 H new ATOM 0 HB2 GLU A 14 3.228 3.408 11.325 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.965 2.892 9.671 1.00 0.00 H new ATOM 0 HG2 GLU A 14 1.959 5.468 10.945 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.255 5.322 9.775 1.00 0.00 H new ATOM 207 N THR A 15 1.909 0.624 12.047 1.00 0.00 N ATOM 208 CA THR A 15 2.214 -0.791 12.177 1.00 0.00 C ATOM 209 C THR A 15 0.990 -1.652 12.514 1.00 0.00 C ATOM 210 O THR A 15 1.121 -2.873 12.617 1.00 0.00 O ATOM 211 CB THR A 15 3.382 -0.971 13.159 1.00 0.00 C ATOM 212 OG1 THR A 15 3.179 -0.270 14.366 1.00 0.00 O ATOM 213 CG2 THR A 15 4.702 -0.485 12.544 1.00 0.00 C ATOM 0 H THR A 15 2.086 1.153 12.901 1.00 0.00 H new ATOM 0 HA THR A 15 2.528 -1.165 11.202 1.00 0.00 H new ATOM 0 HB THR A 15 3.433 -2.039 13.370 1.00 0.00 H new ATOM 0 HG1 THR A 15 3.472 0.659 14.258 1.00 0.00 H new ATOM 0 HG21 THR A 15 5.511 -0.625 13.261 1.00 0.00 H new ATOM 0 HG22 THR A 15 4.915 -1.057 11.641 1.00 0.00 H new ATOM 0 HG23 THR A 15 4.619 0.572 12.292 1.00 0.00 H new ATOM 221 N SER A 16 -0.203 -1.059 12.626 1.00 0.00 N ATOM 222 CA SER A 16 -1.430 -1.754 13.001 1.00 0.00 C ATOM 223 C SER A 16 -2.314 -2.031 11.776 1.00 0.00 C ATOM 224 O SER A 16 -3.542 -2.029 11.871 1.00 0.00 O ATOM 225 CB SER A 16 -2.153 -0.974 14.109 1.00 0.00 C ATOM 226 OG SER A 16 -1.365 -0.921 15.283 1.00 0.00 O ATOM 0 H SER A 16 -0.341 -0.063 12.454 1.00 0.00 H new ATOM 0 HA SER A 16 -1.180 -2.734 13.407 1.00 0.00 H new ATOM 0 HB2 SER A 16 -2.370 0.037 13.765 1.00 0.00 H new ATOM 0 HB3 SER A 16 -3.110 -1.448 14.329 1.00 0.00 H new ATOM 0 HG SER A 16 -0.556 -0.395 15.111 1.00 0.00 H new ATOM 232 N GLU A 17 -1.692 -2.262 10.616 1.00 0.00 N ATOM 233 CA GLU A 17 -2.377 -2.517 9.348 1.00 0.00 C ATOM 234 C GLU A 17 -1.757 -3.736 8.647 1.00 0.00 C ATOM 235 O GLU A 17 -1.258 -3.648 7.524 1.00 0.00 O ATOM 236 CB GLU A 17 -2.414 -1.248 8.474 1.00 0.00 C ATOM 237 CG GLU A 17 -3.255 -0.124 9.101 1.00 0.00 C ATOM 238 CD GLU A 17 -3.559 0.995 8.094 1.00 0.00 C ATOM 239 OE1 GLU A 17 -2.612 1.673 7.637 1.00 0.00 O ATOM 240 OE2 GLU A 17 -4.747 1.213 7.757 1.00 0.00 O ATOM 0 H GLU A 17 -0.676 -2.277 10.532 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.420 -2.768 9.541 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.397 -0.890 8.315 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -2.821 -1.498 7.494 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.191 -0.538 9.477 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.724 0.292 9.957 1.00 0.00 H new ATOM 247 N GLY A 18 -1.768 -4.886 9.333 1.00 0.00 N ATOM 248 CA GLY A 18 -1.297 -6.160 8.801 1.00 0.00 C ATOM 249 C GLY A 18 0.159 -6.381 9.186 1.00 0.00 C ATOM 250 O GLY A 18 0.616 -5.878 10.217 1.00 0.00 O ATOM 0 H GLY A 18 -2.112 -4.952 10.291 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -1.911 -6.974 9.187 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -1.400 -6.170 7.716 1.00 0.00 H new ATOM 254 N VAL A 19 0.878 -7.169 8.385 1.00 0.00 N ATOM 255 CA VAL A 19 2.330 -7.255 8.497 1.00 0.00 C ATOM 256 C VAL A 19 2.885 -5.929 7.980 1.00 0.00 C ATOM 257 O VAL A 19 2.474 -5.441 6.922 1.00 0.00 O ATOM 258 CB VAL A 19 2.897 -8.461 7.716 1.00 0.00 C ATOM 259 CG1 VAL A 19 4.435 -8.520 7.779 1.00 0.00 C ATOM 260 CG2 VAL A 19 2.350 -9.780 8.283 1.00 0.00 C ATOM 0 H VAL A 19 0.477 -7.755 7.653 1.00 0.00 H new ATOM 0 HA VAL A 19 2.628 -7.419 9.533 1.00 0.00 H new ATOM 0 HB VAL A 19 2.585 -8.330 6.680 1.00 0.00 H new ATOM 0 HG11 VAL A 19 4.789 -9.384 7.216 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.852 -7.610 7.348 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.753 -8.608 8.818 1.00 0.00 H new ATOM 0 HG21 VAL A 19 2.762 -10.617 7.719 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.637 -9.872 9.331 1.00 0.00 H new ATOM 0 HG23 VAL A 19 1.263 -9.788 8.202 1.00 0.00 H new ATOM 270 N VAL A 20 3.838 -5.366 8.712 1.00 0.00 N ATOM 271 CA VAL A 20 4.503 -4.115 8.397 1.00 0.00 C ATOM 272 C VAL A 20 5.976 -4.338 8.726 1.00 0.00 C ATOM 273 O VAL A 20 6.296 -5.014 9.703 1.00 0.00 O ATOM 274 CB VAL A 20 3.865 -2.973 9.219 1.00 0.00 C ATOM 275 CG1 VAL A 20 4.507 -1.618 8.888 1.00 0.00 C ATOM 276 CG2 VAL A 20 2.349 -2.873 8.952 1.00 0.00 C ATOM 0 H VAL A 20 4.180 -5.788 9.575 1.00 0.00 H new ATOM 0 HA VAL A 20 4.401 -3.824 7.352 1.00 0.00 H new ATOM 0 HB VAL A 20 4.038 -3.210 10.269 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.035 -0.837 9.484 1.00 0.00 H new ATOM 0 HG12 VAL A 20 5.572 -1.655 9.116 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.370 -1.400 7.829 1.00 0.00 H new ATOM 0 HG21 VAL A 20 1.928 -2.061 9.544 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.178 -2.677 7.894 1.00 0.00 H new ATOM 0 HG23 VAL A 20 1.868 -3.811 9.229 1.00 0.00 H new ATOM 286 N LEU A 21 6.880 -3.790 7.917 1.00 0.00 N ATOM 287 CA LEU A 21 8.313 -4.014 8.046 1.00 0.00 C ATOM 288 C LEU A 21 8.944 -2.648 8.269 1.00 0.00 C ATOM 289 O LEU A 21 9.081 -1.847 7.344 1.00 0.00 O ATOM 290 CB LEU A 21 8.811 -4.776 6.808 1.00 0.00 C ATOM 291 CG LEU A 21 10.217 -5.387 6.951 1.00 0.00 C ATOM 292 CD1 LEU A 21 10.567 -6.110 5.650 1.00 0.00 C ATOM 293 CD2 LEU A 21 11.331 -4.386 7.270 1.00 0.00 C ATOM 0 H LEU A 21 6.632 -3.171 7.145 1.00 0.00 H new ATOM 0 HA LEU A 21 8.590 -4.643 8.892 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.104 -5.574 6.581 1.00 0.00 H new ATOM 0 HB3 LEU A 21 8.810 -4.097 5.955 1.00 0.00 H new ATOM 0 HG LEU A 21 10.167 -6.060 7.807 1.00 0.00 H new ATOM 0 HD11 LEU A 21 11.561 -6.549 5.734 1.00 0.00 H new ATOM 0 HD12 LEU A 21 9.837 -6.898 5.464 1.00 0.00 H new ATOM 0 HD13 LEU A 21 10.553 -5.399 4.824 1.00 0.00 H new ATOM 0 HD21 LEU A 21 12.282 -4.913 7.351 1.00 0.00 H new ATOM 0 HD22 LEU A 21 11.394 -3.645 6.473 1.00 0.00 H new ATOM 0 HD23 LEU A 21 11.112 -3.886 8.214 1.00 0.00 H new ATOM 305 N ALA A 22 9.238 -2.334 9.525 1.00 0.00 N ATOM 306 CA ALA A 22 9.851 -1.078 9.888 1.00 0.00 C ATOM 307 C ALA A 22 11.354 -1.160 9.652 1.00 0.00 C ATOM 308 O ALA A 22 11.959 -2.206 9.885 1.00 0.00 O ATOM 309 CB ALA A 22 9.562 -0.771 11.351 1.00 0.00 C ATOM 0 H ALA A 22 9.054 -2.950 10.317 1.00 0.00 H new ATOM 0 HA ALA A 22 9.439 -0.278 9.273 1.00 0.00 H new ATOM 0 HB1 ALA A 22 10.026 0.177 11.622 1.00 0.00 H new ATOM 0 HB2 ALA A 22 8.485 -0.705 11.503 1.00 0.00 H new ATOM 0 HB3 ALA A 22 9.968 -1.566 11.977 1.00 0.00 H new ATOM 315 N ASP A 23 11.957 -0.038 9.272 1.00 0.00 N ATOM 316 CA ASP A 23 13.370 0.106 8.943 1.00 0.00 C ATOM 317 C ASP A 23 13.915 1.240 9.807 1.00 0.00 C ATOM 318 O ASP A 23 13.743 2.423 9.503 1.00 0.00 O ATOM 319 CB ASP A 23 13.549 0.393 7.448 1.00 0.00 C ATOM 320 CG ASP A 23 14.964 0.914 7.130 1.00 0.00 C ATOM 321 OD1 ASP A 23 15.952 0.295 7.583 1.00 0.00 O ATOM 322 OD2 ASP A 23 15.072 1.924 6.396 1.00 0.00 O ATOM 0 H ASP A 23 11.446 0.840 9.181 1.00 0.00 H new ATOM 0 HA ASP A 23 13.918 -0.814 9.146 1.00 0.00 H new ATOM 0 HB2 ASP A 23 13.360 -0.517 6.878 1.00 0.00 H new ATOM 0 HB3 ASP A 23 12.811 1.128 7.128 1.00 0.00 H new ATOM 327 N PHE A 24 14.478 0.869 10.953 1.00 0.00 N ATOM 328 CA PHE A 24 15.148 1.776 11.862 1.00 0.00 C ATOM 329 C PHE A 24 16.478 2.124 11.210 1.00 0.00 C ATOM 330 O PHE A 24 17.334 1.251 11.015 1.00 0.00 O ATOM 331 CB PHE A 24 15.312 1.137 13.249 1.00 0.00 C ATOM 332 CG PHE A 24 14.003 1.053 14.014 1.00 0.00 C ATOM 333 CD1 PHE A 24 12.989 0.168 13.599 1.00 0.00 C ATOM 334 CD2 PHE A 24 13.760 1.928 15.091 1.00 0.00 C ATOM 335 CE1 PHE A 24 11.727 0.202 14.214 1.00 0.00 C ATOM 336 CE2 PHE A 24 12.495 1.961 15.704 1.00 0.00 C ATOM 337 CZ PHE A 24 11.470 1.118 15.244 1.00 0.00 C ATOM 0 H PHE A 24 14.478 -0.098 11.278 1.00 0.00 H new ATOM 0 HA PHE A 24 14.570 2.684 12.033 1.00 0.00 H new ATOM 0 HB2 PHE A 24 15.727 0.135 13.136 1.00 0.00 H new ATOM 0 HB3 PHE A 24 16.030 1.716 13.829 1.00 0.00 H new ATOM 0 HD1 PHE A 24 13.183 -0.539 12.806 1.00 0.00 H new ATOM 0 HD2 PHE A 24 14.548 2.575 15.447 1.00 0.00 H new ATOM 0 HE1 PHE A 24 10.953 -0.479 13.893 1.00 0.00 H new ATOM 0 HE2 PHE A 24 12.312 2.634 16.528 1.00 0.00 H new ATOM 0 HZ PHE A 24 10.485 1.175 15.683 1.00 0.00 H new ATOM 347 N TRP A 25 16.612 3.397 10.842 1.00 0.00 N ATOM 348 CA TRP A 25 17.715 3.929 10.063 1.00 0.00 C ATOM 349 C TRP A 25 17.924 5.387 10.479 1.00 0.00 C ATOM 350 O TRP A 25 17.278 5.859 11.412 1.00 0.00 O ATOM 351 CB TRP A 25 17.426 3.731 8.554 1.00 0.00 C ATOM 352 CG TRP A 25 17.258 4.945 7.684 1.00 0.00 C ATOM 353 CD1 TRP A 25 18.178 5.425 6.817 1.00 0.00 C ATOM 354 CD2 TRP A 25 16.169 5.922 7.671 1.00 0.00 C ATOM 355 NE1 TRP A 25 17.692 6.563 6.207 1.00 0.00 N ATOM 356 CE2 TRP A 25 16.492 6.958 6.747 1.00 0.00 C ATOM 357 CE3 TRP A 25 14.965 6.062 8.386 1.00 0.00 C ATOM 358 CZ2 TRP A 25 15.672 8.075 6.546 1.00 0.00 C ATOM 359 CZ3 TRP A 25 14.129 7.182 8.198 1.00 0.00 C ATOM 360 CH2 TRP A 25 14.486 8.193 7.286 1.00 0.00 C ATOM 0 H TRP A 25 15.925 4.109 11.091 1.00 0.00 H new ATOM 0 HA TRP A 25 18.649 3.401 10.254 1.00 0.00 H new ATOM 0 HB2 TRP A 25 18.239 3.136 8.137 1.00 0.00 H new ATOM 0 HB3 TRP A 25 16.518 3.134 8.467 1.00 0.00 H new ATOM 0 HD1 TRP A 25 19.146 4.984 6.630 1.00 0.00 H new ATOM 0 HE1 TRP A 25 18.166 7.052 5.447 1.00 0.00 H new ATOM 0 HE3 TRP A 25 14.676 5.297 9.092 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 15.949 8.836 5.831 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 13.209 7.265 8.757 1.00 0.00 H new ATOM 0 HH2 TRP A 25 13.850 9.056 7.156 1.00 0.00 H new ATOM 371 N ALA A 26 18.838 6.096 9.825 1.00 0.00 N ATOM 372 CA ALA A 26 18.979 7.538 9.912 1.00 0.00 C ATOM 373 C ALA A 26 19.669 7.975 8.621 1.00 0.00 C ATOM 374 O ALA A 26 20.492 7.215 8.107 1.00 0.00 O ATOM 375 CB ALA A 26 19.834 7.909 11.123 1.00 0.00 C ATOM 0 H ALA A 26 19.521 5.666 9.201 1.00 0.00 H new ATOM 0 HA ALA A 26 18.013 8.029 10.031 1.00 0.00 H new ATOM 0 HB1 ALA A 26 19.934 8.993 11.180 1.00 0.00 H new ATOM 0 HB2 ALA A 26 19.357 7.541 12.031 1.00 0.00 H new ATOM 0 HB3 ALA A 26 20.821 7.458 11.023 1.00 0.00 H new ATOM 381 N PRO A 27 19.413 9.171 8.076 1.00 0.00 N ATOM 382 CA PRO A 27 20.043 9.578 6.828 1.00 0.00 C ATOM 383 C PRO A 27 21.556 9.817 6.943 1.00 0.00 C ATOM 384 O PRO A 27 22.222 9.862 5.907 1.00 0.00 O ATOM 385 CB PRO A 27 19.260 10.795 6.339 1.00 0.00 C ATOM 386 CG PRO A 27 18.584 11.348 7.597 1.00 0.00 C ATOM 387 CD PRO A 27 18.412 10.131 8.506 1.00 0.00 C ATOM 0 HA PRO A 27 19.995 8.772 6.095 1.00 0.00 H new ATOM 0 HB2 PRO A 27 19.919 11.535 5.885 1.00 0.00 H new ATOM 0 HB3 PRO A 27 18.525 10.517 5.583 1.00 0.00 H new ATOM 0 HG2 PRO A 27 19.196 12.115 8.072 1.00 0.00 H new ATOM 0 HG3 PRO A 27 17.624 11.807 7.362 1.00 0.00 H new ATOM 0 HD2 PRO A 27 18.554 10.401 9.552 1.00 0.00 H new ATOM 0 HD3 PRO A 27 17.408 9.715 8.417 1.00 0.00 H new ATOM 395 N TRP A 28 22.136 9.903 8.149 1.00 0.00 N ATOM 396 CA TRP A 28 23.594 9.903 8.298 1.00 0.00 C ATOM 397 C TRP A 28 24.206 8.531 7.970 1.00 0.00 C ATOM 398 O TRP A 28 25.407 8.448 7.701 1.00 0.00 O ATOM 399 CB TRP A 28 24.015 10.355 9.707 1.00 0.00 C ATOM 400 CG TRP A 28 23.728 9.416 10.846 1.00 0.00 C ATOM 401 CD1 TRP A 28 22.674 9.507 11.683 1.00 0.00 C ATOM 402 CD2 TRP A 28 24.493 8.257 11.313 1.00 0.00 C ATOM 403 NE1 TRP A 28 22.725 8.501 12.625 1.00 0.00 N ATOM 404 CE2 TRP A 28 23.810 7.677 12.426 1.00 0.00 C ATOM 405 CE3 TRP A 28 25.694 7.629 10.913 1.00 0.00 C ATOM 406 CZ2 TRP A 28 24.272 6.525 13.081 1.00 0.00 C ATOM 407 CZ3 TRP A 28 26.167 6.470 11.559 1.00 0.00 C ATOM 408 CH2 TRP A 28 25.455 5.913 12.637 1.00 0.00 C ATOM 0 H TRP A 28 21.621 9.973 9.027 1.00 0.00 H new ATOM 0 HA TRP A 28 23.982 10.622 7.576 1.00 0.00 H new ATOM 0 HB2 TRP A 28 25.087 10.550 9.692 1.00 0.00 H new ATOM 0 HB3 TRP A 28 23.521 11.303 9.919 1.00 0.00 H new ATOM 0 HD1 TRP A 28 21.901 10.259 11.624 1.00 0.00 H new ATOM 0 HE1 TRP A 28 22.044 8.382 13.375 1.00 0.00 H new ATOM 0 HE3 TRP A 28 26.261 8.047 10.094 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 23.724 6.114 13.916 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 27.083 6.006 11.224 1.00 0.00 H new ATOM 0 HH2 TRP A 28 25.817 5.018 13.121 1.00 0.00 H new ATOM 419 N CYS A 29 23.402 7.461 8.026 1.00 0.00 N ATOM 420 CA CYS A 29 23.842 6.077 7.928 1.00 0.00 C ATOM 421 C CYS A 29 24.560 5.818 6.597 1.00 0.00 C ATOM 422 O CYS A 29 24.199 6.392 5.568 1.00 0.00 O ATOM 423 CB CYS A 29 22.608 5.176 8.060 1.00 0.00 C ATOM 424 SG CYS A 29 22.920 3.409 8.259 1.00 0.00 S ATOM 0 H CYS A 29 22.393 7.546 8.145 1.00 0.00 H new ATOM 0 HA CYS A 29 24.554 5.860 8.724 1.00 0.00 H new ATOM 0 HB2 CYS A 29 22.025 5.518 8.915 1.00 0.00 H new ATOM 0 HB3 CYS A 29 21.987 5.316 7.175 1.00 0.00 H new ATOM 429 N GLY A 30 25.518 4.892 6.606 1.00 0.00 N ATOM 430 CA GLY A 30 26.163 4.362 5.408 1.00 0.00 C ATOM 431 C GLY A 30 25.527 3.038 4.969 1.00 0.00 C ATOM 432 O GLY A 30 24.955 2.989 3.880 1.00 0.00 O ATOM 0 H GLY A 30 25.875 4.480 7.468 1.00 0.00 H new ATOM 0 HA2 GLY A 30 26.087 5.089 4.600 1.00 0.00 H new ATOM 0 HA3 GLY A 30 27.225 4.211 5.601 1.00 0.00 H new ATOM 436 N PRO A 31 25.534 1.970 5.793 1.00 0.00 N ATOM 437 CA PRO A 31 25.067 0.653 5.364 1.00 0.00 C ATOM 438 C PRO A 31 23.563 0.620 5.080 1.00 0.00 C ATOM 439 O PRO A 31 23.117 -0.157 4.236 1.00 0.00 O ATOM 440 CB PRO A 31 25.486 -0.326 6.467 1.00 0.00 C ATOM 441 CG PRO A 31 25.687 0.549 7.703 1.00 0.00 C ATOM 442 CD PRO A 31 26.101 1.903 7.132 1.00 0.00 C ATOM 0 HA PRO A 31 25.516 0.375 4.410 1.00 0.00 H new ATOM 0 HB2 PRO A 31 24.720 -1.083 6.637 1.00 0.00 H new ATOM 0 HB3 PRO A 31 26.402 -0.854 6.202 1.00 0.00 H new ATOM 0 HG2 PRO A 31 24.772 0.626 8.291 1.00 0.00 H new ATOM 0 HG3 PRO A 31 26.455 0.141 8.360 1.00 0.00 H new ATOM 0 HD2 PRO A 31 25.729 2.718 7.753 1.00 0.00 H new ATOM 0 HD3 PRO A 31 27.187 1.997 7.100 1.00 0.00 H new ATOM 450 N CYS A 32 22.774 1.503 5.705 1.00 0.00 N ATOM 451 CA CYS A 32 21.349 1.634 5.416 1.00 0.00 C ATOM 452 C CYS A 32 21.106 1.977 3.939 1.00 0.00 C ATOM 453 O CYS A 32 20.113 1.548 3.356 1.00 0.00 O ATOM 454 CB CYS A 32 20.703 2.703 6.302 1.00 0.00 C ATOM 455 SG CYS A 32 21.051 2.629 8.085 1.00 0.00 S ATOM 0 H CYS A 32 23.110 2.144 6.424 1.00 0.00 H new ATOM 0 HA CYS A 32 20.890 0.669 5.631 1.00 0.00 H new ATOM 0 HB2 CYS A 32 21.019 3.680 5.937 1.00 0.00 H new ATOM 0 HB3 CYS A 32 19.623 2.646 6.166 1.00 0.00 H new ATOM 460 N LYS A 33 22.018 2.722 3.305 1.00 0.00 N ATOM 461 CA LYS A 33 21.887 3.103 1.903 1.00 0.00 C ATOM 462 C LYS A 33 22.046 1.888 0.984 1.00 0.00 C ATOM 463 O LYS A 33 21.541 1.919 -0.134 1.00 0.00 O ATOM 464 CB LYS A 33 22.898 4.209 1.540 1.00 0.00 C ATOM 465 CG LYS A 33 22.977 5.382 2.538 1.00 0.00 C ATOM 466 CD LYS A 33 21.662 6.160 2.734 1.00 0.00 C ATOM 467 CE LYS A 33 21.736 7.142 3.919 1.00 0.00 C ATOM 468 NZ LYS A 33 22.835 8.130 3.789 1.00 0.00 N ATOM 0 H LYS A 33 22.864 3.075 3.752 1.00 0.00 H new ATOM 0 HA LYS A 33 20.883 3.501 1.754 1.00 0.00 H new ATOM 0 HB2 LYS A 33 23.887 3.760 1.453 1.00 0.00 H new ATOM 0 HB3 LYS A 33 22.641 4.606 0.558 1.00 0.00 H new ATOM 0 HG2 LYS A 33 23.301 4.996 3.505 1.00 0.00 H new ATOM 0 HG3 LYS A 33 23.745 6.077 2.199 1.00 0.00 H new ATOM 0 HD2 LYS A 33 21.429 6.710 1.823 1.00 0.00 H new ATOM 0 HD3 LYS A 33 20.847 5.456 2.899 1.00 0.00 H new ATOM 0 HE2 LYS A 33 20.787 7.672 4.004 1.00 0.00 H new ATOM 0 HE3 LYS A 33 21.870 6.578 4.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 22.642 8.947 4.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 23.733 7.689 4.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 22.901 8.448 2.801 1.00 0.00 H new ATOM 482 N MET A 34 22.713 0.818 1.439 1.00 0.00 N ATOM 483 CA MET A 34 22.842 -0.418 0.681 1.00 0.00 C ATOM 484 C MET A 34 21.506 -1.157 0.636 1.00 0.00 C ATOM 485 O MET A 34 21.127 -1.674 -0.413 1.00 0.00 O ATOM 486 CB MET A 34 23.912 -1.343 1.284 1.00 0.00 C ATOM 487 CG MET A 34 25.283 -0.681 1.457 1.00 0.00 C ATOM 488 SD MET A 34 26.622 -1.798 1.977 1.00 0.00 S ATOM 489 CE MET A 34 25.866 -2.649 3.393 1.00 0.00 C ATOM 0 H MET A 34 23.177 0.793 2.347 1.00 0.00 H new ATOM 0 HA MET A 34 23.148 -0.148 -0.330 1.00 0.00 H new ATOM 0 HB2 MET A 34 23.566 -1.697 2.255 1.00 0.00 H new ATOM 0 HB3 MET A 34 24.021 -2.220 0.645 1.00 0.00 H new ATOM 0 HG2 MET A 34 25.566 -0.216 0.513 1.00 0.00 H new ATOM 0 HG3 MET A 34 25.192 0.119 2.192 1.00 0.00 H new ATOM 0 HE1 MET A 34 26.645 -2.958 4.090 1.00 0.00 H new ATOM 0 HE2 MET A 34 25.176 -1.973 3.897 1.00 0.00 H new ATOM 0 HE3 MET A 34 25.323 -3.527 3.042 1.00 0.00 H new ATOM 499 N ILE A 35 20.789 -1.218 1.766 1.00 0.00 N ATOM 500 CA ILE A 35 19.534 -1.958 1.872 1.00 0.00 C ATOM 501 C ILE A 35 18.342 -1.124 1.377 1.00 0.00 C ATOM 502 O ILE A 35 17.343 -1.707 0.970 1.00 0.00 O ATOM 503 CB ILE A 35 19.358 -2.544 3.296 1.00 0.00 C ATOM 504 CG1 ILE A 35 18.229 -3.597 3.345 1.00 0.00 C ATOM 505 CG2 ILE A 35 19.179 -1.446 4.353 1.00 0.00 C ATOM 506 CD1 ILE A 35 18.123 -4.314 4.693 1.00 0.00 C ATOM 0 H ILE A 35 21.067 -0.754 2.631 1.00 0.00 H new ATOM 0 HA ILE A 35 19.573 -2.817 1.202 1.00 0.00 H new ATOM 0 HB ILE A 35 20.283 -3.063 3.546 1.00 0.00 H new ATOM 0 HG12 ILE A 35 17.279 -3.110 3.125 1.00 0.00 H new ATOM 0 HG13 ILE A 35 18.397 -4.336 2.561 1.00 0.00 H new ATOM 0 HG21 ILE A 35 19.059 -1.903 5.335 1.00 0.00 H new ATOM 0 HG22 ILE A 35 20.056 -0.799 4.358 1.00 0.00 H new ATOM 0 HG23 ILE A 35 18.294 -0.855 4.117 1.00 0.00 H new ATOM 0 HD11 ILE A 35 17.310 -5.039 4.656 1.00 0.00 H new ATOM 0 HD12 ILE A 35 19.060 -4.829 4.906 1.00 0.00 H new ATOM 0 HD13 ILE A 35 17.924 -3.585 5.478 1.00 0.00 H new ATOM 518 N ALA A 36 18.427 0.211 1.344 1.00 0.00 N ATOM 519 CA ALA A 36 17.351 1.071 0.846 1.00 0.00 C ATOM 520 C ALA A 36 16.795 0.644 -0.533 1.00 0.00 C ATOM 521 O ALA A 36 15.581 0.444 -0.628 1.00 0.00 O ATOM 522 CB ALA A 36 17.800 2.539 0.868 1.00 0.00 C ATOM 0 H ALA A 36 19.248 0.726 1.663 1.00 0.00 H new ATOM 0 HA ALA A 36 16.507 0.953 1.525 1.00 0.00 H new ATOM 0 HB1 ALA A 36 16.994 3.172 0.496 1.00 0.00 H new ATOM 0 HB2 ALA A 36 18.047 2.829 1.889 1.00 0.00 H new ATOM 0 HB3 ALA A 36 18.678 2.660 0.234 1.00 0.00 H new ATOM 528 N PRO A 37 17.606 0.418 -1.589 1.00 0.00 N ATOM 529 CA PRO A 37 17.080 -0.061 -2.865 1.00 0.00 C ATOM 530 C PRO A 37 16.539 -1.492 -2.777 1.00 0.00 C ATOM 531 O PRO A 37 15.649 -1.857 -3.543 1.00 0.00 O ATOM 532 CB PRO A 37 18.229 0.058 -3.871 1.00 0.00 C ATOM 533 CG PRO A 37 19.479 -0.008 -2.996 1.00 0.00 C ATOM 534 CD PRO A 37 19.031 0.690 -1.714 1.00 0.00 C ATOM 0 HA PRO A 37 16.223 0.537 -3.175 1.00 0.00 H new ATOM 0 HB2 PRO A 37 18.208 -0.751 -4.602 1.00 0.00 H new ATOM 0 HB3 PRO A 37 18.179 0.993 -4.429 1.00 0.00 H new ATOM 0 HG2 PRO A 37 19.789 -1.036 -2.810 1.00 0.00 H new ATOM 0 HG3 PRO A 37 20.324 0.501 -3.459 1.00 0.00 H new ATOM 0 HD2 PRO A 37 19.578 0.311 -0.851 1.00 0.00 H new ATOM 0 HD3 PRO A 37 19.221 1.762 -1.766 1.00 0.00 H new ATOM 542 N VAL A 38 17.033 -2.306 -1.842 1.00 0.00 N ATOM 543 CA VAL A 38 16.512 -3.642 -1.598 1.00 0.00 C ATOM 544 C VAL A 38 15.116 -3.540 -0.964 1.00 0.00 C ATOM 545 O VAL A 38 14.241 -4.324 -1.318 1.00 0.00 O ATOM 546 CB VAL A 38 17.495 -4.477 -0.748 1.00 0.00 C ATOM 547 CG1 VAL A 38 17.073 -5.950 -0.709 1.00 0.00 C ATOM 548 CG2 VAL A 38 18.930 -4.423 -1.301 1.00 0.00 C ATOM 0 H VAL A 38 17.810 -2.051 -1.232 1.00 0.00 H new ATOM 0 HA VAL A 38 16.409 -4.171 -2.545 1.00 0.00 H new ATOM 0 HB VAL A 38 17.471 -4.042 0.251 1.00 0.00 H new ATOM 0 HG11 VAL A 38 17.782 -6.516 -0.104 1.00 0.00 H new ATOM 0 HG12 VAL A 38 16.077 -6.032 -0.273 1.00 0.00 H new ATOM 0 HG13 VAL A 38 17.059 -6.352 -1.722 1.00 0.00 H new ATOM 0 HG21 VAL A 38 19.586 -5.024 -0.671 1.00 0.00 H new ATOM 0 HG22 VAL A 38 18.943 -4.816 -2.318 1.00 0.00 H new ATOM 0 HG23 VAL A 38 19.279 -3.390 -1.306 1.00 0.00 H new ATOM 558 N LEU A 39 14.860 -2.565 -0.083 1.00 0.00 N ATOM 559 CA LEU A 39 13.520 -2.295 0.429 1.00 0.00 C ATOM 560 C LEU A 39 12.606 -1.763 -0.668 1.00 0.00 C ATOM 561 O LEU A 39 11.435 -2.126 -0.686 1.00 0.00 O ATOM 562 CB LEU A 39 13.544 -1.313 1.611 1.00 0.00 C ATOM 563 CG LEU A 39 14.222 -1.870 2.873 1.00 0.00 C ATOM 564 CD1 LEU A 39 14.270 -0.781 3.949 1.00 0.00 C ATOM 565 CD2 LEU A 39 13.507 -3.113 3.422 1.00 0.00 C ATOM 0 H LEU A 39 15.578 -1.945 0.292 1.00 0.00 H new ATOM 0 HA LEU A 39 13.125 -3.246 0.786 1.00 0.00 H new ATOM 0 HB2 LEU A 39 14.061 -0.404 1.304 1.00 0.00 H new ATOM 0 HB3 LEU A 39 12.520 -1.030 1.856 1.00 0.00 H new ATOM 0 HG LEU A 39 15.232 -2.174 2.597 1.00 0.00 H new ATOM 0 HD11 LEU A 39 14.751 -1.175 4.844 1.00 0.00 H new ATOM 0 HD12 LEU A 39 14.838 0.072 3.578 1.00 0.00 H new ATOM 0 HD13 LEU A 39 13.256 -0.464 4.191 1.00 0.00 H new ATOM 0 HD21 LEU A 39 14.025 -3.467 4.313 1.00 0.00 H new ATOM 0 HD22 LEU A 39 12.479 -2.858 3.678 1.00 0.00 H new ATOM 0 HD23 LEU A 39 13.509 -3.898 2.665 1.00 0.00 H new ATOM 577 N GLU A 40 13.105 -0.942 -1.596 1.00 0.00 N ATOM 578 CA GLU A 40 12.318 -0.538 -2.759 1.00 0.00 C ATOM 579 C GLU A 40 11.960 -1.754 -3.619 1.00 0.00 C ATOM 580 O GLU A 40 10.826 -1.876 -4.086 1.00 0.00 O ATOM 581 CB GLU A 40 13.038 0.540 -3.585 1.00 0.00 C ATOM 582 CG GLU A 40 13.087 1.890 -2.855 1.00 0.00 C ATOM 583 CD GLU A 40 13.743 2.978 -3.723 1.00 0.00 C ATOM 584 OE1 GLU A 40 13.037 3.623 -4.532 1.00 0.00 O ATOM 585 OE2 GLU A 40 14.964 3.220 -3.593 1.00 0.00 O ATOM 0 H GLU A 40 14.045 -0.547 -1.563 1.00 0.00 H new ATOM 0 HA GLU A 40 11.391 -0.095 -2.396 1.00 0.00 H new ATOM 0 HB2 GLU A 40 14.053 0.210 -3.804 1.00 0.00 H new ATOM 0 HB3 GLU A 40 12.529 0.664 -4.541 1.00 0.00 H new ATOM 0 HG2 GLU A 40 12.076 2.197 -2.588 1.00 0.00 H new ATOM 0 HG3 GLU A 40 13.644 1.781 -1.924 1.00 0.00 H new ATOM 592 N GLU A 41 12.897 -2.679 -3.821 1.00 0.00 N ATOM 593 CA GLU A 41 12.626 -3.938 -4.499 1.00 0.00 C ATOM 594 C GLU A 41 11.560 -4.726 -3.739 1.00 0.00 C ATOM 595 O GLU A 41 10.609 -5.204 -4.348 1.00 0.00 O ATOM 596 CB GLU A 41 13.916 -4.759 -4.653 1.00 0.00 C ATOM 597 CG GLU A 41 14.718 -4.394 -5.907 1.00 0.00 C ATOM 598 CD GLU A 41 14.040 -4.905 -7.189 1.00 0.00 C ATOM 599 OE1 GLU A 41 13.850 -6.137 -7.315 1.00 0.00 O ATOM 600 OE2 GLU A 41 13.712 -4.087 -8.079 1.00 0.00 O ATOM 0 H GLU A 41 13.865 -2.573 -3.518 1.00 0.00 H new ATOM 0 HA GLU A 41 12.246 -3.724 -5.498 1.00 0.00 H new ATOM 0 HB2 GLU A 41 14.542 -4.609 -3.773 1.00 0.00 H new ATOM 0 HB3 GLU A 41 13.663 -5.819 -4.687 1.00 0.00 H new ATOM 0 HG2 GLU A 41 14.832 -3.311 -5.963 1.00 0.00 H new ATOM 0 HG3 GLU A 41 15.720 -4.816 -5.833 1.00 0.00 H new ATOM 607 N LEU A 42 11.685 -4.822 -2.414 1.00 0.00 N ATOM 608 CA LEU A 42 10.741 -5.532 -1.557 1.00 0.00 C ATOM 609 C LEU A 42 9.344 -4.918 -1.712 1.00 0.00 C ATOM 610 O LEU A 42 8.356 -5.635 -1.876 1.00 0.00 O ATOM 611 CB LEU A 42 11.216 -5.478 -0.088 1.00 0.00 C ATOM 612 CG LEU A 42 10.850 -6.702 0.775 1.00 0.00 C ATOM 613 CD1 LEU A 42 10.960 -6.314 2.249 1.00 0.00 C ATOM 614 CD2 LEU A 42 9.453 -7.278 0.544 1.00 0.00 C ATOM 0 H LEU A 42 12.459 -4.401 -1.900 1.00 0.00 H new ATOM 0 HA LEU A 42 10.692 -6.579 -1.855 1.00 0.00 H new ATOM 0 HB2 LEU A 42 12.300 -5.360 -0.079 1.00 0.00 H new ATOM 0 HB3 LEU A 42 10.795 -4.588 0.379 1.00 0.00 H new ATOM 0 HG LEU A 42 11.552 -7.482 0.480 1.00 0.00 H new ATOM 0 HD11 LEU A 42 10.703 -7.172 2.871 1.00 0.00 H new ATOM 0 HD12 LEU A 42 11.981 -6.000 2.467 1.00 0.00 H new ATOM 0 HD13 LEU A 42 10.274 -5.494 2.461 1.00 0.00 H new ATOM 0 HD21 LEU A 42 9.299 -8.134 1.201 1.00 0.00 H new ATOM 0 HD22 LEU A 42 8.705 -6.516 0.760 1.00 0.00 H new ATOM 0 HD23 LEU A 42 9.357 -7.596 -0.494 1.00 0.00 H new ATOM 626 N ASP A 43 9.253 -3.587 -1.721 1.00 0.00 N ATOM 627 CA ASP A 43 7.997 -2.866 -1.892 1.00 0.00 C ATOM 628 C ASP A 43 7.348 -3.198 -3.228 1.00 0.00 C ATOM 629 O ASP A 43 6.148 -3.448 -3.301 1.00 0.00 O ATOM 630 CB ASP A 43 8.221 -1.353 -1.828 1.00 0.00 C ATOM 631 CG ASP A 43 6.868 -0.634 -1.802 1.00 0.00 C ATOM 632 OD1 ASP A 43 6.126 -0.809 -0.812 1.00 0.00 O ATOM 633 OD2 ASP A 43 6.560 0.117 -2.755 1.00 0.00 O ATOM 0 H ASP A 43 10.061 -2.975 -1.608 1.00 0.00 H new ATOM 0 HA ASP A 43 7.340 -3.178 -1.080 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.797 -1.098 -0.939 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.802 -1.024 -2.689 1.00 0.00 H new ATOM 638 N GLN A 44 8.155 -3.253 -4.284 1.00 0.00 N ATOM 639 CA GLN A 44 7.693 -3.560 -5.629 1.00 0.00 C ATOM 640 C GLN A 44 7.318 -5.045 -5.798 1.00 0.00 C ATOM 641 O GLN A 44 6.718 -5.411 -6.810 1.00 0.00 O ATOM 642 CB GLN A 44 8.752 -3.093 -6.637 1.00 0.00 C ATOM 643 CG GLN A 44 8.839 -1.555 -6.660 1.00 0.00 C ATOM 644 CD GLN A 44 10.054 -1.085 -7.456 1.00 0.00 C ATOM 645 OE1 GLN A 44 9.969 -0.761 -8.639 1.00 0.00 O ATOM 646 NE2 GLN A 44 11.213 -1.050 -6.819 1.00 0.00 N ATOM 0 H GLN A 44 9.159 -3.083 -4.226 1.00 0.00 H new ATOM 0 HA GLN A 44 6.768 -3.017 -5.820 1.00 0.00 H new ATOM 0 HB2 GLN A 44 9.723 -3.513 -6.374 1.00 0.00 H new ATOM 0 HB3 GLN A 44 8.503 -3.463 -7.632 1.00 0.00 H new ATOM 0 HG2 GLN A 44 7.931 -1.143 -7.100 1.00 0.00 H new ATOM 0 HG3 GLN A 44 8.900 -1.176 -5.640 1.00 0.00 H new ATOM 0 HE21 GLN A 44 11.264 -1.323 -5.837 1.00 0.00 H new ATOM 0 HE22 GLN A 44 12.056 -0.750 -7.309 1.00 0.00 H new ATOM 655 N GLU A 45 7.639 -5.900 -4.822 1.00 0.00 N ATOM 656 CA GLU A 45 7.371 -7.333 -4.835 1.00 0.00 C ATOM 657 C GLU A 45 6.174 -7.668 -3.943 1.00 0.00 C ATOM 658 O GLU A 45 5.393 -8.554 -4.294 1.00 0.00 O ATOM 659 CB GLU A 45 8.627 -8.087 -4.359 1.00 0.00 C ATOM 660 CG GLU A 45 9.809 -8.019 -5.345 1.00 0.00 C ATOM 661 CD GLU A 45 9.851 -9.144 -6.390 1.00 0.00 C ATOM 662 OE1 GLU A 45 8.798 -9.550 -6.934 1.00 0.00 O ATOM 663 OE2 GLU A 45 10.977 -9.595 -6.707 1.00 0.00 O ATOM 0 H GLU A 45 8.111 -5.596 -3.970 1.00 0.00 H new ATOM 0 HA GLU A 45 7.126 -7.643 -5.851 1.00 0.00 H new ATOM 0 HB2 GLU A 45 8.943 -7.677 -3.400 1.00 0.00 H new ATOM 0 HB3 GLU A 45 8.368 -9.132 -4.189 1.00 0.00 H new ATOM 0 HG2 GLU A 45 9.773 -7.062 -5.865 1.00 0.00 H new ATOM 0 HG3 GLU A 45 10.738 -8.038 -4.776 1.00 0.00 H new ATOM 670 N MET A 46 5.984 -6.936 -2.836 1.00 0.00 N ATOM 671 CA MET A 46 5.044 -7.312 -1.780 1.00 0.00 C ATOM 672 C MET A 46 4.100 -6.188 -1.365 1.00 0.00 C ATOM 673 O MET A 46 3.219 -6.434 -0.545 1.00 0.00 O ATOM 674 CB MET A 46 5.824 -7.784 -0.541 1.00 0.00 C ATOM 675 CG MET A 46 6.831 -8.902 -0.836 1.00 0.00 C ATOM 676 SD MET A 46 6.163 -10.423 -1.561 1.00 0.00 S ATOM 677 CE MET A 46 5.369 -11.105 -0.093 1.00 0.00 C ATOM 0 H MET A 46 6.481 -6.065 -2.651 1.00 0.00 H new ATOM 0 HA MET A 46 4.427 -8.110 -2.193 1.00 0.00 H new ATOM 0 HB2 MET A 46 6.354 -6.934 -0.111 1.00 0.00 H new ATOM 0 HB3 MET A 46 5.117 -8.133 0.211 1.00 0.00 H new ATOM 0 HG2 MET A 46 7.590 -8.507 -1.511 1.00 0.00 H new ATOM 0 HG3 MET A 46 7.335 -9.161 0.095 1.00 0.00 H new ATOM 0 HE1 MET A 46 5.804 -12.077 0.137 1.00 0.00 H new ATOM 0 HE2 MET A 46 5.521 -10.431 0.750 1.00 0.00 H new ATOM 0 HE3 MET A 46 4.301 -11.220 -0.277 1.00 0.00 H new ATOM 687 N GLY A 47 4.236 -4.972 -1.899 1.00 0.00 N ATOM 688 CA GLY A 47 3.476 -3.795 -1.475 1.00 0.00 C ATOM 689 C GLY A 47 1.956 -3.922 -1.613 1.00 0.00 C ATOM 690 O GLY A 47 1.222 -3.100 -1.067 1.00 0.00 O ATOM 0 H GLY A 47 4.892 -4.775 -2.655 1.00 0.00 H new ATOM 0 HA2 GLY A 47 3.715 -3.583 -0.433 1.00 0.00 H new ATOM 0 HA3 GLY A 47 3.808 -2.937 -2.059 1.00 0.00 H new ATOM 694 N ASP A 48 1.465 -4.953 -2.301 1.00 0.00 N ATOM 695 CA ASP A 48 0.044 -5.287 -2.369 1.00 0.00 C ATOM 696 C ASP A 48 -0.493 -5.751 -1.008 1.00 0.00 C ATOM 697 O ASP A 48 -1.667 -5.545 -0.700 1.00 0.00 O ATOM 698 CB ASP A 48 -0.183 -6.378 -3.421 1.00 0.00 C ATOM 699 CG ASP A 48 -1.675 -6.731 -3.545 1.00 0.00 C ATOM 700 OD1 ASP A 48 -2.459 -5.894 -4.048 1.00 0.00 O ATOM 701 OD2 ASP A 48 -2.064 -7.865 -3.185 1.00 0.00 O ATOM 0 H ASP A 48 2.055 -5.590 -2.836 1.00 0.00 H new ATOM 0 HA ASP A 48 -0.500 -4.386 -2.652 1.00 0.00 H new ATOM 0 HB2 ASP A 48 0.195 -6.040 -4.386 1.00 0.00 H new ATOM 0 HB3 ASP A 48 0.383 -7.270 -3.152 1.00 0.00 H new ATOM 706 N LYS A 49 0.376 -6.336 -0.174 1.00 0.00 N ATOM 707 CA LYS A 49 0.058 -6.864 1.154 1.00 0.00 C ATOM 708 C LYS A 49 0.886 -6.185 2.245 1.00 0.00 C ATOM 709 O LYS A 49 0.455 -6.156 3.398 1.00 0.00 O ATOM 710 CB LYS A 49 0.334 -8.380 1.184 1.00 0.00 C ATOM 711 CG LYS A 49 -0.456 -9.214 0.162 1.00 0.00 C ATOM 712 CD LYS A 49 -1.975 -9.150 0.380 1.00 0.00 C ATOM 713 CE LYS A 49 -2.681 -10.106 -0.590 1.00 0.00 C ATOM 714 NZ LYS A 49 -4.158 -10.064 -0.448 1.00 0.00 N ATOM 0 H LYS A 49 1.359 -6.458 -0.418 1.00 0.00 H new ATOM 0 HA LYS A 49 -0.995 -6.663 1.349 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.399 -8.542 1.015 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.110 -8.753 2.183 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -0.224 -8.862 -0.843 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.130 -10.252 0.219 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -2.215 -9.418 1.409 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -2.331 -8.132 0.225 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -2.409 -9.848 -1.613 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.330 -11.123 -0.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -4.591 -10.726 -1.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -4.422 -10.336 0.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -4.498 -9.100 -0.642 1.00 0.00 H new ATOM 728 N LEU A 50 2.061 -5.652 1.903 1.00 0.00 N ATOM 729 CA LEU A 50 3.046 -5.158 2.858 1.00 0.00 C ATOM 730 C LEU A 50 3.008 -3.632 2.925 1.00 0.00 C ATOM 731 O LEU A 50 2.563 -2.962 1.992 1.00 0.00 O ATOM 732 CB LEU A 50 4.438 -5.664 2.416 1.00 0.00 C ATOM 733 CG LEU A 50 5.603 -5.399 3.391 1.00 0.00 C ATOM 734 CD1 LEU A 50 5.369 -6.060 4.753 1.00 0.00 C ATOM 735 CD2 LEU A 50 6.906 -5.914 2.780 1.00 0.00 C ATOM 0 H LEU A 50 2.357 -5.551 0.932 1.00 0.00 H new ATOM 0 HA LEU A 50 2.823 -5.529 3.858 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.373 -6.739 2.245 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.681 -5.203 1.459 1.00 0.00 H new ATOM 0 HG LEU A 50 5.667 -4.323 3.554 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.213 -5.849 5.410 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.456 -5.665 5.197 1.00 0.00 H new ATOM 0 HD13 LEU A 50 5.272 -7.138 4.622 1.00 0.00 H new ATOM 0 HD21 LEU A 50 7.730 -5.727 3.469 1.00 0.00 H new ATOM 0 HD22 LEU A 50 6.823 -6.985 2.596 1.00 0.00 H new ATOM 0 HD23 LEU A 50 7.096 -5.398 1.839 1.00 0.00 H new ATOM 747 N LYS A 51 3.526 -3.077 4.017 1.00 0.00 N ATOM 748 CA LYS A 51 3.834 -1.663 4.189 1.00 0.00 C ATOM 749 C LYS A 51 5.242 -1.652 4.774 1.00 0.00 C ATOM 750 O LYS A 51 5.562 -2.524 5.589 1.00 0.00 O ATOM 751 CB LYS A 51 2.807 -1.014 5.136 1.00 0.00 C ATOM 752 CG LYS A 51 3.063 0.487 5.361 1.00 0.00 C ATOM 753 CD LYS A 51 2.305 1.051 6.568 1.00 0.00 C ATOM 754 CE LYS A 51 0.781 1.004 6.401 1.00 0.00 C ATOM 755 NZ LYS A 51 0.117 1.639 7.555 1.00 0.00 N ATOM 0 H LYS A 51 3.753 -3.628 4.845 1.00 0.00 H new ATOM 0 HA LYS A 51 3.786 -1.092 3.262 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.806 -1.149 4.726 1.00 0.00 H new ATOM 0 HB3 LYS A 51 2.830 -1.529 6.096 1.00 0.00 H new ATOM 0 HG2 LYS A 51 4.131 0.650 5.502 1.00 0.00 H new ATOM 0 HG3 LYS A 51 2.771 1.037 4.467 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.584 0.488 7.459 1.00 0.00 H new ATOM 0 HD3 LYS A 51 2.614 2.083 6.733 1.00 0.00 H new ATOM 0 HE2 LYS A 51 0.494 1.515 5.482 1.00 0.00 H new ATOM 0 HE3 LYS A 51 0.451 -0.031 6.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -0.914 1.599 7.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 0.378 1.134 8.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 0.419 2.632 7.626 1.00 0.00 H new ATOM 769 N ILE A 52 6.069 -0.685 4.393 1.00 0.00 N ATOM 770 CA ILE A 52 7.420 -0.540 4.922 1.00 0.00 C ATOM 771 C ILE A 52 7.429 0.809 5.639 1.00 0.00 C ATOM 772 O ILE A 52 6.835 1.763 5.143 1.00 0.00 O ATOM 773 CB ILE A 52 8.466 -0.698 3.790 1.00 0.00 C ATOM 774 CG1 ILE A 52 8.362 -2.111 3.161 1.00 0.00 C ATOM 775 CG2 ILE A 52 9.898 -0.423 4.291 1.00 0.00 C ATOM 776 CD1 ILE A 52 9.341 -2.381 2.013 1.00 0.00 C ATOM 0 H ILE A 52 5.819 0.025 3.704 1.00 0.00 H new ATOM 0 HA ILE A 52 7.700 -1.317 5.633 1.00 0.00 H new ATOM 0 HB ILE A 52 8.246 0.046 3.024 1.00 0.00 H new ATOM 0 HG12 ILE A 52 8.527 -2.853 3.942 1.00 0.00 H new ATOM 0 HG13 ILE A 52 7.346 -2.255 2.794 1.00 0.00 H new ATOM 0 HG21 ILE A 52 10.601 -0.544 3.467 1.00 0.00 H new ATOM 0 HG22 ILE A 52 9.960 0.596 4.674 1.00 0.00 H new ATOM 0 HG23 ILE A 52 10.146 -1.126 5.086 1.00 0.00 H new ATOM 0 HD11 ILE A 52 9.192 -3.394 1.639 1.00 0.00 H new ATOM 0 HD12 ILE A 52 9.164 -1.667 1.209 1.00 0.00 H new ATOM 0 HD13 ILE A 52 10.364 -2.274 2.374 1.00 0.00 H new ATOM 788 N VAL A 53 8.058 0.905 6.811 1.00 0.00 N ATOM 789 CA VAL A 53 7.945 2.083 7.674 1.00 0.00 C ATOM 790 C VAL A 53 9.349 2.477 8.126 1.00 0.00 C ATOM 791 O VAL A 53 9.887 1.943 9.095 1.00 0.00 O ATOM 792 CB VAL A 53 6.948 1.806 8.827 1.00 0.00 C ATOM 793 CG1 VAL A 53 6.863 2.978 9.814 1.00 0.00 C ATOM 794 CG2 VAL A 53 5.528 1.571 8.286 1.00 0.00 C ATOM 0 H VAL A 53 8.658 0.172 7.188 1.00 0.00 H new ATOM 0 HA VAL A 53 7.528 2.938 7.142 1.00 0.00 H new ATOM 0 HB VAL A 53 7.325 0.919 9.336 1.00 0.00 H new ATOM 0 HG11 VAL A 53 6.152 2.737 10.604 1.00 0.00 H new ATOM 0 HG12 VAL A 53 7.845 3.157 10.252 1.00 0.00 H new ATOM 0 HG13 VAL A 53 6.532 3.873 9.288 1.00 0.00 H new ATOM 0 HG21 VAL A 53 4.849 1.379 9.117 1.00 0.00 H new ATOM 0 HG22 VAL A 53 5.195 2.455 7.742 1.00 0.00 H new ATOM 0 HG23 VAL A 53 5.532 0.712 7.615 1.00 0.00 H new ATOM 804 N LYS A 54 9.978 3.403 7.404 1.00 0.00 N ATOM 805 CA LYS A 54 11.292 3.906 7.783 1.00 0.00 C ATOM 806 C LYS A 54 11.103 4.818 8.996 1.00 0.00 C ATOM 807 O LYS A 54 10.132 5.579 9.046 1.00 0.00 O ATOM 808 CB LYS A 54 11.948 4.637 6.601 1.00 0.00 C ATOM 809 CG LYS A 54 12.140 3.721 5.378 1.00 0.00 C ATOM 810 CD LYS A 54 12.783 4.437 4.182 1.00 0.00 C ATOM 811 CE LYS A 54 14.139 5.091 4.491 1.00 0.00 C ATOM 812 NZ LYS A 54 15.223 4.108 4.754 1.00 0.00 N ATOM 0 H LYS A 54 9.597 3.818 6.554 1.00 0.00 H new ATOM 0 HA LYS A 54 11.964 3.090 8.048 1.00 0.00 H new ATOM 0 HB2 LYS A 54 11.332 5.491 6.319 1.00 0.00 H new ATOM 0 HB3 LYS A 54 12.916 5.030 6.912 1.00 0.00 H new ATOM 0 HG2 LYS A 54 12.762 2.872 5.662 1.00 0.00 H new ATOM 0 HG3 LYS A 54 11.172 3.321 5.076 1.00 0.00 H new ATOM 0 HD2 LYS A 54 12.915 3.720 3.372 1.00 0.00 H new ATOM 0 HD3 LYS A 54 12.097 5.203 3.821 1.00 0.00 H new ATOM 0 HE2 LYS A 54 14.428 5.724 3.652 1.00 0.00 H new ATOM 0 HE3 LYS A 54 14.031 5.742 5.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 16.055 4.602 5.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 14.893 3.404 5.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 15.480 3.630 3.867 1.00 0.00 H new ATOM 826 N ILE A 55 12.015 4.773 9.962 1.00 0.00 N ATOM 827 CA ILE A 55 11.957 5.616 11.150 1.00 0.00 C ATOM 828 C ILE A 55 13.382 6.032 11.520 1.00 0.00 C ATOM 829 O ILE A 55 14.292 5.199 11.603 1.00 0.00 O ATOM 830 CB ILE A 55 11.140 4.932 12.275 1.00 0.00 C ATOM 831 CG1 ILE A 55 11.145 5.807 13.547 1.00 0.00 C ATOM 832 CG2 ILE A 55 11.586 3.492 12.583 1.00 0.00 C ATOM 833 CD1 ILE A 55 10.030 5.450 14.538 1.00 0.00 C ATOM 0 H ILE A 55 12.820 4.147 9.942 1.00 0.00 H new ATOM 0 HA ILE A 55 11.409 6.539 10.961 1.00 0.00 H new ATOM 0 HB ILE A 55 10.119 4.842 11.904 1.00 0.00 H new ATOM 0 HG12 ILE A 55 12.109 5.705 14.045 1.00 0.00 H new ATOM 0 HG13 ILE A 55 11.044 6.853 13.259 1.00 0.00 H new ATOM 0 HG21 ILE A 55 10.967 3.082 13.381 1.00 0.00 H new ATOM 0 HG22 ILE A 55 11.478 2.879 11.688 1.00 0.00 H new ATOM 0 HG23 ILE A 55 12.629 3.494 12.898 1.00 0.00 H new ATOM 0 HD11 ILE A 55 10.093 6.104 15.408 1.00 0.00 H new ATOM 0 HD12 ILE A 55 9.061 5.579 14.057 1.00 0.00 H new ATOM 0 HD13 ILE A 55 10.143 4.413 14.855 1.00 0.00 H new ATOM 845 N ASP A 56 13.561 7.348 11.659 1.00 0.00 N ATOM 846 CA ASP A 56 14.856 7.999 11.821 1.00 0.00 C ATOM 847 C ASP A 56 15.235 8.004 13.298 1.00 0.00 C ATOM 848 O ASP A 56 14.666 8.770 14.082 1.00 0.00 O ATOM 849 CB ASP A 56 14.805 9.432 11.271 1.00 0.00 C ATOM 850 CG ASP A 56 16.134 10.191 11.451 1.00 0.00 C ATOM 851 OD1 ASP A 56 17.132 9.601 11.919 1.00 0.00 O ATOM 852 OD2 ASP A 56 16.169 11.388 11.085 1.00 0.00 O ATOM 0 H ASP A 56 12.782 8.007 11.661 1.00 0.00 H new ATOM 0 HA ASP A 56 15.611 7.449 11.260 1.00 0.00 H new ATOM 0 HB2 ASP A 56 14.551 9.400 10.211 1.00 0.00 H new ATOM 0 HB3 ASP A 56 14.008 9.980 11.773 1.00 0.00 H new ATOM 857 N VAL A 57 16.164 7.142 13.705 1.00 0.00 N ATOM 858 CA VAL A 57 16.563 7.004 15.101 1.00 0.00 C ATOM 859 C VAL A 57 17.164 8.297 15.664 1.00 0.00 C ATOM 860 O VAL A 57 17.121 8.487 16.880 1.00 0.00 O ATOM 861 CB VAL A 57 17.484 5.781 15.307 1.00 0.00 C ATOM 862 CG1 VAL A 57 16.784 4.493 14.848 1.00 0.00 C ATOM 863 CG2 VAL A 57 18.844 5.893 14.604 1.00 0.00 C ATOM 0 H VAL A 57 16.663 6.517 13.072 1.00 0.00 H new ATOM 0 HA VAL A 57 15.658 6.819 15.679 1.00 0.00 H new ATOM 0 HB VAL A 57 17.684 5.750 16.378 1.00 0.00 H new ATOM 0 HG11 VAL A 57 17.449 3.643 15.001 1.00 0.00 H new ATOM 0 HG12 VAL A 57 15.872 4.349 15.427 1.00 0.00 H new ATOM 0 HG13 VAL A 57 16.534 4.572 13.790 1.00 0.00 H new ATOM 0 HG21 VAL A 57 19.429 4.994 14.799 1.00 0.00 H new ATOM 0 HG22 VAL A 57 18.691 6.001 13.530 1.00 0.00 H new ATOM 0 HG23 VAL A 57 19.379 6.764 14.983 1.00 0.00 H new ATOM 873 N ASP A 58 17.653 9.223 14.826 1.00 0.00 N ATOM 874 CA ASP A 58 18.192 10.509 15.285 1.00 0.00 C ATOM 875 C ASP A 58 17.099 11.412 15.875 1.00 0.00 C ATOM 876 O ASP A 58 17.404 12.354 16.606 1.00 0.00 O ATOM 877 CB ASP A 58 18.923 11.233 14.149 1.00 0.00 C ATOM 878 CG ASP A 58 19.646 12.493 14.653 1.00 0.00 C ATOM 879 OD1 ASP A 58 20.591 12.370 15.466 1.00 0.00 O ATOM 880 OD2 ASP A 58 19.318 13.613 14.197 1.00 0.00 O ATOM 0 H ASP A 58 17.685 9.101 13.814 1.00 0.00 H new ATOM 0 HA ASP A 58 18.906 10.290 16.079 1.00 0.00 H new ATOM 0 HB2 ASP A 58 19.645 10.557 13.691 1.00 0.00 H new ATOM 0 HB3 ASP A 58 18.209 11.509 13.373 1.00 0.00 H new ATOM 885 N GLU A 59 15.824 11.081 15.652 1.00 0.00 N ATOM 886 CA GLU A 59 14.670 11.785 16.215 1.00 0.00 C ATOM 887 C GLU A 59 13.751 10.828 16.996 1.00 0.00 C ATOM 888 O GLU A 59 12.698 11.249 17.477 1.00 0.00 O ATOM 889 CB GLU A 59 13.902 12.494 15.087 1.00 0.00 C ATOM 890 CG GLU A 59 14.724 13.600 14.405 1.00 0.00 C ATOM 891 CD GLU A 59 13.846 14.473 13.490 1.00 0.00 C ATOM 892 OE1 GLU A 59 13.527 14.061 12.352 1.00 0.00 O ATOM 893 OE2 GLU A 59 13.472 15.599 13.895 1.00 0.00 O ATOM 0 H GLU A 59 15.560 10.295 15.059 1.00 0.00 H new ATOM 0 HA GLU A 59 15.028 12.530 16.925 1.00 0.00 H new ATOM 0 HB2 GLU A 59 13.603 11.758 14.340 1.00 0.00 H new ATOM 0 HB3 GLU A 59 12.988 12.926 15.493 1.00 0.00 H new ATOM 0 HG2 GLU A 59 15.195 14.225 15.164 1.00 0.00 H new ATOM 0 HG3 GLU A 59 15.526 13.150 13.820 1.00 0.00 H new ATOM 900 N ASN A 60 14.125 9.547 17.125 1.00 0.00 N ATOM 901 CA ASN A 60 13.258 8.485 17.647 1.00 0.00 C ATOM 902 C ASN A 60 14.043 7.508 18.524 1.00 0.00 C ATOM 903 O ASN A 60 13.851 6.291 18.436 1.00 0.00 O ATOM 904 CB ASN A 60 12.530 7.762 16.498 1.00 0.00 C ATOM 905 CG ASN A 60 11.562 8.676 15.763 1.00 0.00 C ATOM 906 OD1 ASN A 60 10.446 8.908 16.214 1.00 0.00 O ATOM 907 ND2 ASN A 60 11.959 9.207 14.620 1.00 0.00 N ATOM 0 H ASN A 60 15.054 9.216 16.865 1.00 0.00 H new ATOM 0 HA ASN A 60 12.500 8.946 18.281 1.00 0.00 H new ATOM 0 HB2 ASN A 60 13.265 7.373 15.793 1.00 0.00 H new ATOM 0 HB3 ASN A 60 11.986 6.906 16.897 1.00 0.00 H new ATOM 0 HD21 ASN A 60 11.333 9.821 14.098 1.00 0.00 H new ATOM 0 HD22 ASN A 60 12.891 9.003 14.259 1.00 0.00 H new ATOM 914 N GLN A 61 14.947 8.024 19.366 1.00 0.00 N ATOM 915 CA GLN A 61 15.651 7.220 20.362 1.00 0.00 C ATOM 916 C GLN A 61 14.679 6.422 21.236 1.00 0.00 C ATOM 917 O GLN A 61 15.017 5.326 21.675 1.00 0.00 O ATOM 918 CB GLN A 61 16.527 8.101 21.271 1.00 0.00 C ATOM 919 CG GLN A 61 17.634 8.854 20.522 1.00 0.00 C ATOM 920 CD GLN A 61 17.235 10.273 20.123 1.00 0.00 C ATOM 921 OE1 GLN A 61 17.130 11.175 20.951 1.00 0.00 O ATOM 922 NE2 GLN A 61 17.012 10.498 18.842 1.00 0.00 N ATOM 0 H GLN A 61 15.208 9.010 19.373 1.00 0.00 H new ATOM 0 HA GLN A 61 16.283 6.526 19.809 1.00 0.00 H new ATOM 0 HB2 GLN A 61 15.891 8.823 21.783 1.00 0.00 H new ATOM 0 HB3 GLN A 61 16.982 7.475 22.039 1.00 0.00 H new ATOM 0 HG2 GLN A 61 18.524 8.897 21.150 1.00 0.00 H new ATOM 0 HG3 GLN A 61 17.903 8.294 19.626 1.00 0.00 H new ATOM 0 HE21 GLN A 61 17.103 9.738 18.167 1.00 0.00 H new ATOM 0 HE22 GLN A 61 16.748 11.431 18.527 1.00 0.00 H new ATOM 931 N GLU A 62 13.478 6.946 21.487 1.00 0.00 N ATOM 932 CA GLU A 62 12.473 6.307 22.318 1.00 0.00 C ATOM 933 C GLU A 62 12.007 5.006 21.659 1.00 0.00 C ATOM 934 O GLU A 62 12.036 3.948 22.286 1.00 0.00 O ATOM 935 CB GLU A 62 11.279 7.255 22.555 1.00 0.00 C ATOM 936 CG GLU A 62 11.656 8.630 23.139 1.00 0.00 C ATOM 937 CD GLU A 62 11.829 9.733 22.072 1.00 0.00 C ATOM 938 OE1 GLU A 62 12.584 9.538 21.093 1.00 0.00 O ATOM 939 OE2 GLU A 62 11.220 10.817 22.226 1.00 0.00 O ATOM 0 H GLU A 62 13.177 7.844 21.108 1.00 0.00 H new ATOM 0 HA GLU A 62 12.914 6.073 23.287 1.00 0.00 H new ATOM 0 HB2 GLU A 62 10.760 7.407 21.609 1.00 0.00 H new ATOM 0 HB3 GLU A 62 10.575 6.769 23.230 1.00 0.00 H new ATOM 0 HG2 GLU A 62 10.885 8.938 23.845 1.00 0.00 H new ATOM 0 HG3 GLU A 62 12.584 8.533 23.702 1.00 0.00 H new ATOM 946 N THR A 63 11.630 5.063 20.381 1.00 0.00 N ATOM 947 CA THR A 63 11.136 3.913 19.642 1.00 0.00 C ATOM 948 C THR A 63 12.278 2.916 19.406 1.00 0.00 C ATOM 949 O THR A 63 12.077 1.714 19.504 1.00 0.00 O ATOM 950 CB THR A 63 10.513 4.382 18.316 1.00 0.00 C ATOM 951 OG1 THR A 63 10.020 5.711 18.414 1.00 0.00 O ATOM 952 CG2 THR A 63 9.369 3.478 17.854 1.00 0.00 C ATOM 0 H THR A 63 11.661 5.920 19.829 1.00 0.00 H new ATOM 0 HA THR A 63 10.363 3.405 20.219 1.00 0.00 H new ATOM 0 HB THR A 63 11.318 4.336 17.582 1.00 0.00 H new ATOM 0 HG1 THR A 63 9.632 5.980 17.555 1.00 0.00 H new ATOM 0 HG21 THR A 63 8.965 3.854 16.914 1.00 0.00 H new ATOM 0 HG22 THR A 63 9.742 2.464 17.709 1.00 0.00 H new ATOM 0 HG23 THR A 63 8.583 3.471 18.609 1.00 0.00 H new ATOM 960 N ALA A 64 13.502 3.387 19.155 1.00 0.00 N ATOM 961 CA ALA A 64 14.682 2.530 19.101 1.00 0.00 C ATOM 962 C ALA A 64 14.885 1.803 20.437 1.00 0.00 C ATOM 963 O ALA A 64 15.079 0.585 20.459 1.00 0.00 O ATOM 964 CB ALA A 64 15.902 3.383 18.728 1.00 0.00 C ATOM 0 H ALA A 64 13.700 4.373 18.984 1.00 0.00 H new ATOM 0 HA ALA A 64 14.546 1.763 18.339 1.00 0.00 H new ATOM 0 HB1 ALA A 64 16.789 2.751 18.685 1.00 0.00 H new ATOM 0 HB2 ALA A 64 15.739 3.845 17.754 1.00 0.00 H new ATOM 0 HB3 ALA A 64 16.046 4.160 19.479 1.00 0.00 H new ATOM 970 N GLY A 65 14.779 2.521 21.557 1.00 0.00 N ATOM 971 CA GLY A 65 14.897 1.960 22.896 1.00 0.00 C ATOM 972 C GLY A 65 13.791 0.950 23.198 1.00 0.00 C ATOM 973 O GLY A 65 14.024 -0.001 23.945 1.00 0.00 O ATOM 0 H GLY A 65 14.606 3.526 21.554 1.00 0.00 H new ATOM 0 HA2 GLY A 65 15.868 1.475 23.001 1.00 0.00 H new ATOM 0 HA3 GLY A 65 14.862 2.765 23.630 1.00 0.00 H new ATOM 977 N LYS A 66 12.618 1.099 22.570 1.00 0.00 N ATOM 978 CA LYS A 66 11.464 0.216 22.730 1.00 0.00 C ATOM 979 C LYS A 66 11.820 -1.240 22.416 1.00 0.00 C ATOM 980 O LYS A 66 11.237 -2.139 23.023 1.00 0.00 O ATOM 981 CB LYS A 66 10.315 0.726 21.847 1.00 0.00 C ATOM 982 CG LYS A 66 8.957 0.128 22.238 1.00 0.00 C ATOM 983 CD LYS A 66 7.833 0.889 21.527 1.00 0.00 C ATOM 984 CE LYS A 66 6.491 0.167 21.701 1.00 0.00 C ATOM 985 NZ LYS A 66 5.391 0.844 20.969 1.00 0.00 N ATOM 0 H LYS A 66 12.444 1.863 21.917 1.00 0.00 H new ATOM 0 HA LYS A 66 11.143 0.233 23.772 1.00 0.00 H new ATOM 0 HB2 LYS A 66 10.263 1.812 21.918 1.00 0.00 H new ATOM 0 HB3 LYS A 66 10.528 0.484 20.806 1.00 0.00 H new ATOM 0 HG2 LYS A 66 8.922 -0.927 21.968 1.00 0.00 H new ATOM 0 HG3 LYS A 66 8.821 0.185 23.318 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.762 1.900 21.928 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.066 0.983 20.466 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.584 -0.859 21.346 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.242 0.116 22.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 4.504 0.322 21.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 5.284 1.815 21.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 5.614 0.870 19.954 1.00 0.00 H new ATOM 999 N TYR A 67 12.797 -1.474 21.529 1.00 0.00 N ATOM 1000 CA TYR A 67 13.227 -2.823 21.141 1.00 0.00 C ATOM 1001 C TYR A 67 14.728 -3.044 21.372 1.00 0.00 C ATOM 1002 O TYR A 67 15.259 -4.083 20.977 1.00 0.00 O ATOM 1003 CB TYR A 67 12.848 -3.106 19.677 1.00 0.00 C ATOM 1004 CG TYR A 67 11.567 -2.444 19.217 1.00 0.00 C ATOM 1005 CD1 TYR A 67 10.314 -2.958 19.593 1.00 0.00 C ATOM 1006 CD2 TYR A 67 11.645 -1.240 18.496 1.00 0.00 C ATOM 1007 CE1 TYR A 67 9.138 -2.275 19.236 1.00 0.00 C ATOM 1008 CE2 TYR A 67 10.481 -0.544 18.160 1.00 0.00 C ATOM 1009 CZ TYR A 67 9.215 -1.059 18.519 1.00 0.00 C ATOM 1010 OH TYR A 67 8.069 -0.387 18.217 1.00 0.00 O ATOM 0 H TYR A 67 13.313 -0.730 21.059 1.00 0.00 H new ATOM 0 HA TYR A 67 12.702 -3.530 21.783 1.00 0.00 H new ATOM 0 HB2 TYR A 67 13.664 -2.775 19.034 1.00 0.00 H new ATOM 0 HB3 TYR A 67 12.753 -4.183 19.542 1.00 0.00 H new ATOM 0 HD1 TYR A 67 10.255 -3.878 20.156 1.00 0.00 H new ATOM 0 HD2 TYR A 67 12.608 -0.851 18.201 1.00 0.00 H new ATOM 0 HE1 TYR A 67 8.175 -2.680 19.510 1.00 0.00 H new ATOM 0 HE2 TYR A 67 10.549 0.391 17.624 1.00 0.00 H new ATOM 0 HH TYR A 67 8.085 -0.121 17.274 1.00 0.00 H new ATOM 1020 N GLY A 68 15.424 -2.084 21.991 1.00 0.00 N ATOM 1021 CA GLY A 68 16.868 -2.139 22.182 1.00 0.00 C ATOM 1022 C GLY A 68 17.615 -2.153 20.847 1.00 0.00 C ATOM 1023 O GLY A 68 18.554 -2.932 20.683 1.00 0.00 O ATOM 0 H GLY A 68 14.993 -1.243 22.374 1.00 0.00 H new ATOM 0 HA2 GLY A 68 17.190 -1.280 22.770 1.00 0.00 H new ATOM 0 HA3 GLY A 68 17.126 -3.031 22.753 1.00 0.00 H new ATOM 1027 N VAL A 69 17.177 -1.340 19.878 1.00 0.00 N ATOM 1028 CA VAL A 69 17.846 -1.134 18.594 1.00 0.00 C ATOM 1029 C VAL A 69 19.219 -0.503 18.871 1.00 0.00 C ATOM 1030 O VAL A 69 19.345 0.708 19.060 1.00 0.00 O ATOM 1031 CB VAL A 69 16.935 -0.302 17.661 1.00 0.00 C ATOM 1032 CG1 VAL A 69 17.610 0.018 16.323 1.00 0.00 C ATOM 1033 CG2 VAL A 69 15.606 -1.030 17.386 1.00 0.00 C ATOM 0 H VAL A 69 16.322 -0.792 19.972 1.00 0.00 H new ATOM 0 HA VAL A 69 18.023 -2.071 18.066 1.00 0.00 H new ATOM 0 HB VAL A 69 16.741 0.634 18.185 1.00 0.00 H new ATOM 0 HG11 VAL A 69 16.931 0.603 15.703 1.00 0.00 H new ATOM 0 HG12 VAL A 69 18.521 0.589 16.502 1.00 0.00 H new ATOM 0 HG13 VAL A 69 17.860 -0.911 15.810 1.00 0.00 H new ATOM 0 HG21 VAL A 69 14.987 -0.421 16.727 1.00 0.00 H new ATOM 0 HG22 VAL A 69 15.808 -1.989 16.909 1.00 0.00 H new ATOM 0 HG23 VAL A 69 15.081 -1.196 18.327 1.00 0.00 H new ATOM 1043 N MET A 70 20.240 -1.356 18.965 1.00 0.00 N ATOM 1044 CA MET A 70 21.608 -0.995 19.317 1.00 0.00 C ATOM 1045 C MET A 70 22.334 -0.274 18.178 1.00 0.00 C ATOM 1046 O MET A 70 23.194 0.572 18.433 1.00 0.00 O ATOM 1047 CB MET A 70 22.372 -2.265 19.740 1.00 0.00 C ATOM 1048 CG MET A 70 22.665 -3.302 18.637 1.00 0.00 C ATOM 1049 SD MET A 70 21.251 -4.068 17.784 1.00 0.00 S ATOM 1050 CE MET A 70 20.658 -5.192 19.077 1.00 0.00 C ATOM 0 H MET A 70 20.129 -2.355 18.791 1.00 0.00 H new ATOM 0 HA MET A 70 21.571 -0.292 20.149 1.00 0.00 H new ATOM 0 HB2 MET A 70 23.322 -1.959 20.179 1.00 0.00 H new ATOM 0 HB3 MET A 70 21.801 -2.758 20.527 1.00 0.00 H new ATOM 0 HG2 MET A 70 23.288 -2.820 17.883 1.00 0.00 H new ATOM 0 HG3 MET A 70 23.260 -4.101 19.080 1.00 0.00 H new ATOM 0 HE1 MET A 70 19.789 -5.740 18.712 1.00 0.00 H new ATOM 0 HE2 MET A 70 21.448 -5.896 19.337 1.00 0.00 H new ATOM 0 HE3 MET A 70 20.379 -4.616 19.960 1.00 0.00 H new ATOM 1060 N SER A 71 21.975 -0.602 16.937 1.00 0.00 N ATOM 1061 CA SER A 71 22.631 -0.169 15.713 1.00 0.00 C ATOM 1062 C SER A 71 21.594 -0.028 14.595 1.00 0.00 C ATOM 1063 O SER A 71 20.428 -0.389 14.778 1.00 0.00 O ATOM 1064 CB SER A 71 23.717 -1.188 15.319 1.00 0.00 C ATOM 1065 OG SER A 71 24.705 -1.323 16.330 1.00 0.00 O ATOM 0 H SER A 71 21.176 -1.209 16.754 1.00 0.00 H new ATOM 0 HA SER A 71 23.104 0.800 15.874 1.00 0.00 H new ATOM 0 HB2 SER A 71 23.255 -2.157 15.131 1.00 0.00 H new ATOM 0 HB3 SER A 71 24.190 -0.874 14.388 1.00 0.00 H new ATOM 0 HG SER A 71 25.376 -1.978 16.046 1.00 0.00 H new ATOM 1071 N ILE A 72 22.018 0.462 13.428 1.00 0.00 N ATOM 1072 CA ILE A 72 21.204 0.576 12.221 1.00 0.00 C ATOM 1073 C ILE A 72 22.052 0.126 11.009 1.00 0.00 C ATOM 1074 O ILE A 72 23.282 0.217 11.089 1.00 0.00 O ATOM 1075 CB ILE A 72 20.648 2.012 12.062 1.00 0.00 C ATOM 1076 CG1 ILE A 72 21.754 3.096 12.011 1.00 0.00 C ATOM 1077 CG2 ILE A 72 19.622 2.321 13.170 1.00 0.00 C ATOM 1078 CD1 ILE A 72 21.245 4.486 11.609 1.00 0.00 C ATOM 0 H ILE A 72 22.971 0.801 13.295 1.00 0.00 H new ATOM 0 HA ILE A 72 20.333 -0.075 12.291 1.00 0.00 H new ATOM 0 HB ILE A 72 20.148 2.046 11.094 1.00 0.00 H new ATOM 0 HG12 ILE A 72 22.229 3.163 12.990 1.00 0.00 H new ATOM 0 HG13 ILE A 72 22.523 2.783 11.305 1.00 0.00 H new ATOM 0 HG21 ILE A 72 19.242 3.335 13.042 1.00 0.00 H new ATOM 0 HG22 ILE A 72 18.795 1.613 13.108 1.00 0.00 H new ATOM 0 HG23 ILE A 72 20.102 2.234 14.145 1.00 0.00 H new ATOM 0 HD11 ILE A 72 22.078 5.189 11.596 1.00 0.00 H new ATOM 0 HD12 ILE A 72 20.797 4.436 10.617 1.00 0.00 H new ATOM 0 HD13 ILE A 72 20.498 4.822 12.328 1.00 0.00 H new ATOM 1090 N PRO A 73 21.456 -0.347 9.895 1.00 0.00 N ATOM 1091 CA PRO A 73 20.029 -0.577 9.707 1.00 0.00 C ATOM 1092 C PRO A 73 19.552 -1.729 10.590 1.00 0.00 C ATOM 1093 O PRO A 73 20.249 -2.736 10.737 1.00 0.00 O ATOM 1094 CB PRO A 73 19.854 -0.919 8.223 1.00 0.00 C ATOM 1095 CG PRO A 73 21.196 -1.535 7.834 1.00 0.00 C ATOM 1096 CD PRO A 73 22.191 -0.781 8.713 1.00 0.00 C ATOM 0 HA PRO A 73 19.440 0.297 9.985 1.00 0.00 H new ATOM 0 HB2 PRO A 73 19.032 -1.618 8.067 1.00 0.00 H new ATOM 0 HB3 PRO A 73 19.634 -0.031 7.630 1.00 0.00 H new ATOM 0 HG2 PRO A 73 21.219 -2.607 8.028 1.00 0.00 H new ATOM 0 HG3 PRO A 73 21.410 -1.398 6.774 1.00 0.00 H new ATOM 0 HD2 PRO A 73 23.027 -1.423 8.991 1.00 0.00 H new ATOM 0 HD3 PRO A 73 22.608 0.074 8.181 1.00 0.00 H new ATOM 1104 N THR A 74 18.353 -1.589 11.146 1.00 0.00 N ATOM 1105 CA THR A 74 17.709 -2.637 11.927 1.00 0.00 C ATOM 1106 C THR A 74 16.253 -2.698 11.481 1.00 0.00 C ATOM 1107 O THR A 74 15.622 -1.664 11.264 1.00 0.00 O ATOM 1108 CB THR A 74 17.896 -2.338 13.423 1.00 0.00 C ATOM 1109 OG1 THR A 74 19.250 -2.547 13.762 1.00 0.00 O ATOM 1110 CG2 THR A 74 17.049 -3.222 14.342 1.00 0.00 C ATOM 0 H THR A 74 17.797 -0.738 11.066 1.00 0.00 H new ATOM 0 HA THR A 74 18.150 -3.620 11.764 1.00 0.00 H new ATOM 0 HB THR A 74 17.577 -1.306 13.572 1.00 0.00 H new ATOM 0 HG1 THR A 74 19.555 -1.825 14.350 1.00 0.00 H new ATOM 0 HG21 THR A 74 17.236 -2.951 15.381 1.00 0.00 H new ATOM 0 HG22 THR A 74 15.993 -3.078 14.114 1.00 0.00 H new ATOM 0 HG23 THR A 74 17.314 -4.268 14.186 1.00 0.00 H new ATOM 1118 N LEU A 75 15.722 -3.907 11.312 1.00 0.00 N ATOM 1119 CA LEU A 75 14.397 -4.135 10.769 1.00 0.00 C ATOM 1120 C LEU A 75 13.554 -4.753 11.870 1.00 0.00 C ATOM 1121 O LEU A 75 13.993 -5.706 12.521 1.00 0.00 O ATOM 1122 CB LEU A 75 14.416 -5.051 9.539 1.00 0.00 C ATOM 1123 CG LEU A 75 15.153 -4.536 8.287 1.00 0.00 C ATOM 1124 CD1 LEU A 75 14.952 -3.054 7.973 1.00 0.00 C ATOM 1125 CD2 LEU A 75 16.649 -4.878 8.314 1.00 0.00 C ATOM 0 H LEU A 75 16.214 -4.767 11.555 1.00 0.00 H new ATOM 0 HA LEU A 75 13.981 -3.185 10.435 1.00 0.00 H new ATOM 0 HB2 LEU A 75 14.868 -5.999 9.831 1.00 0.00 H new ATOM 0 HB3 LEU A 75 13.384 -5.263 9.260 1.00 0.00 H new ATOM 0 HG LEU A 75 14.675 -5.076 7.470 1.00 0.00 H new ATOM 0 HD11 LEU A 75 15.512 -2.793 7.075 1.00 0.00 H new ATOM 0 HD12 LEU A 75 13.892 -2.857 7.810 1.00 0.00 H new ATOM 0 HD13 LEU A 75 15.308 -2.453 8.810 1.00 0.00 H new ATOM 0 HD21 LEU A 75 17.126 -4.495 7.412 1.00 0.00 H new ATOM 0 HD22 LEU A 75 17.111 -4.422 9.190 1.00 0.00 H new ATOM 0 HD23 LEU A 75 16.774 -5.960 8.359 1.00 0.00 H new ATOM 1137 N LEU A 76 12.342 -4.240 12.056 1.00 0.00 N ATOM 1138 CA LEU A 76 11.379 -4.755 13.022 1.00 0.00 C ATOM 1139 C LEU A 76 10.191 -5.128 12.160 1.00 0.00 C ATOM 1140 O LEU A 76 9.618 -4.260 11.505 1.00 0.00 O ATOM 1141 CB LEU A 76 10.989 -3.686 14.071 1.00 0.00 C ATOM 1142 CG LEU A 76 11.910 -3.484 15.293 1.00 0.00 C ATOM 1143 CD1 LEU A 76 11.818 -4.683 16.240 1.00 0.00 C ATOM 1144 CD2 LEU A 76 13.371 -3.241 14.918 1.00 0.00 C ATOM 0 H LEU A 76 11.995 -3.439 11.529 1.00 0.00 H new ATOM 0 HA LEU A 76 11.773 -5.590 13.602 1.00 0.00 H new ATOM 0 HB2 LEU A 76 10.908 -2.729 13.555 1.00 0.00 H new ATOM 0 HB3 LEU A 76 9.995 -3.933 14.442 1.00 0.00 H new ATOM 0 HG LEU A 76 11.553 -2.583 15.792 1.00 0.00 H new ATOM 0 HD11 LEU A 76 12.474 -4.522 17.095 1.00 0.00 H new ATOM 0 HD12 LEU A 76 10.791 -4.795 16.587 1.00 0.00 H new ATOM 0 HD13 LEU A 76 12.124 -5.587 15.713 1.00 0.00 H new ATOM 0 HD21 LEU A 76 13.962 -3.107 15.824 1.00 0.00 H new ATOM 0 HD22 LEU A 76 13.751 -4.097 14.360 1.00 0.00 H new ATOM 0 HD23 LEU A 76 13.444 -2.345 14.302 1.00 0.00 H new ATOM 1156 N VAL A 77 9.838 -6.405 12.109 1.00 0.00 N ATOM 1157 CA VAL A 77 8.632 -6.834 11.424 1.00 0.00 C ATOM 1158 C VAL A 77 7.575 -6.822 12.514 1.00 0.00 C ATOM 1159 O VAL A 77 7.742 -7.500 13.533 1.00 0.00 O ATOM 1160 CB VAL A 77 8.785 -8.222 10.770 1.00 0.00 C ATOM 1161 CG1 VAL A 77 7.677 -8.436 9.729 1.00 0.00 C ATOM 1162 CG2 VAL A 77 10.150 -8.424 10.086 1.00 0.00 C ATOM 0 H VAL A 77 10.373 -7.162 12.536 1.00 0.00 H new ATOM 0 HA VAL A 77 8.377 -6.183 10.588 1.00 0.00 H new ATOM 0 HB VAL A 77 8.709 -8.950 11.577 1.00 0.00 H new ATOM 0 HG11 VAL A 77 7.792 -9.419 9.272 1.00 0.00 H new ATOM 0 HG12 VAL A 77 6.704 -8.374 10.216 1.00 0.00 H new ATOM 0 HG13 VAL A 77 7.747 -7.667 8.959 1.00 0.00 H new ATOM 0 HG21 VAL A 77 10.193 -9.420 9.646 1.00 0.00 H new ATOM 0 HG22 VAL A 77 10.279 -7.676 9.304 1.00 0.00 H new ATOM 0 HG23 VAL A 77 10.946 -8.319 10.824 1.00 0.00 H new ATOM 1172 N LEU A 78 6.514 -6.044 12.322 1.00 0.00 N ATOM 1173 CA LEU A 78 5.381 -5.987 13.225 1.00 0.00 C ATOM 1174 C LEU A 78 4.197 -6.622 12.512 1.00 0.00 C ATOM 1175 O LEU A 78 4.131 -6.640 11.281 1.00 0.00 O ATOM 1176 CB LEU A 78 5.061 -4.543 13.674 1.00 0.00 C ATOM 1177 CG LEU A 78 6.112 -3.934 14.629 1.00 0.00 C ATOM 1178 CD1 LEU A 78 7.228 -3.198 13.882 1.00 0.00 C ATOM 1179 CD2 LEU A 78 5.480 -2.973 15.641 1.00 0.00 C ATOM 0 H LEU A 78 6.421 -5.425 11.517 1.00 0.00 H new ATOM 0 HA LEU A 78 5.614 -6.532 14.140 1.00 0.00 H new ATOM 0 HB2 LEU A 78 4.977 -3.909 12.791 1.00 0.00 H new ATOM 0 HB3 LEU A 78 4.089 -4.534 14.167 1.00 0.00 H new ATOM 0 HG LEU A 78 6.545 -4.783 15.159 1.00 0.00 H new ATOM 0 HD11 LEU A 78 7.939 -2.790 14.600 1.00 0.00 H new ATOM 0 HD12 LEU A 78 7.742 -3.894 13.218 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.799 -2.386 13.295 1.00 0.00 H new ATOM 0 HD21 LEU A 78 6.255 -2.569 16.292 1.00 0.00 H new ATOM 0 HD22 LEU A 78 4.989 -2.157 15.110 1.00 0.00 H new ATOM 0 HD23 LEU A 78 4.745 -3.509 16.242 1.00 0.00 H new ATOM 1191 N LYS A 79 3.248 -7.123 13.292 1.00 0.00 N ATOM 1192 CA LYS A 79 2.005 -7.703 12.818 1.00 0.00 C ATOM 1193 C LYS A 79 0.914 -7.101 13.686 1.00 0.00 C ATOM 1194 O LYS A 79 0.891 -7.344 14.890 1.00 0.00 O ATOM 1195 CB LYS A 79 2.077 -9.234 12.933 1.00 0.00 C ATOM 1196 CG LYS A 79 0.831 -9.916 12.350 1.00 0.00 C ATOM 1197 CD LYS A 79 0.834 -11.442 12.548 1.00 0.00 C ATOM 1198 CE LYS A 79 0.771 -11.904 14.015 1.00 0.00 C ATOM 1199 NZ LYS A 79 -0.507 -11.551 14.687 1.00 0.00 N ATOM 0 H LYS A 79 3.329 -7.136 14.309 1.00 0.00 H new ATOM 0 HA LYS A 79 1.806 -7.487 11.768 1.00 0.00 H new ATOM 0 HB2 LYS A 79 2.964 -9.595 12.413 1.00 0.00 H new ATOM 0 HB3 LYS A 79 2.186 -9.514 13.981 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -0.059 -9.496 12.818 1.00 0.00 H new ATOM 0 HG3 LYS A 79 0.766 -9.693 11.285 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -0.016 -11.865 12.012 1.00 0.00 H new ATOM 0 HD3 LYS A 79 1.735 -11.851 12.091 1.00 0.00 H new ATOM 0 HE2 LYS A 79 0.908 -12.985 14.055 1.00 0.00 H new ATOM 0 HE3 LYS A 79 1.599 -11.457 14.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -0.487 -11.889 15.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -0.630 -10.518 14.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -1.299 -11.999 14.183 1.00 0.00 H new ATOM 1213 N ASP A 80 0.027 -6.318 13.073 1.00 0.00 N ATOM 1214 CA ASP A 80 -1.138 -5.711 13.722 1.00 0.00 C ATOM 1215 C ASP A 80 -0.770 -4.980 15.029 1.00 0.00 C ATOM 1216 O ASP A 80 -1.470 -5.067 16.040 1.00 0.00 O ATOM 1217 CB ASP A 80 -2.260 -6.752 13.875 1.00 0.00 C ATOM 1218 CG ASP A 80 -3.578 -6.132 14.374 1.00 0.00 C ATOM 1219 OD1 ASP A 80 -3.984 -5.064 13.867 1.00 0.00 O ATOM 1220 OD2 ASP A 80 -4.250 -6.746 15.237 1.00 0.00 O ATOM 0 H ASP A 80 0.100 -6.081 12.084 1.00 0.00 H new ATOM 0 HA ASP A 80 -1.527 -4.922 13.078 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -2.432 -7.239 12.915 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -1.940 -7.526 14.572 1.00 0.00 H new ATOM 1225 N GLY A 81 0.370 -4.282 15.014 1.00 0.00 N ATOM 1226 CA GLY A 81 0.764 -3.344 16.058 1.00 0.00 C ATOM 1227 C GLY A 81 1.833 -3.853 17.026 1.00 0.00 C ATOM 1228 O GLY A 81 2.273 -3.071 17.871 1.00 0.00 O ATOM 0 H GLY A 81 1.054 -4.358 14.261 1.00 0.00 H new ATOM 0 HA2 GLY A 81 1.130 -2.433 15.585 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -0.122 -3.072 16.632 1.00 0.00 H new ATOM 1232 N GLU A 82 2.278 -5.113 16.932 1.00 0.00 N ATOM 1233 CA GLU A 82 3.277 -5.683 17.834 1.00 0.00 C ATOM 1234 C GLU A 82 4.361 -6.407 17.036 1.00 0.00 C ATOM 1235 O GLU A 82 4.091 -6.902 15.943 1.00 0.00 O ATOM 1236 CB GLU A 82 2.568 -6.590 18.850 1.00 0.00 C ATOM 1237 CG GLU A 82 2.057 -7.931 18.300 1.00 0.00 C ATOM 1238 CD GLU A 82 1.342 -8.745 19.395 1.00 0.00 C ATOM 1239 OE1 GLU A 82 2.002 -9.544 20.097 1.00 0.00 O ATOM 1240 OE2 GLU A 82 0.108 -8.607 19.559 1.00 0.00 O ATOM 0 H GLU A 82 1.950 -5.767 16.221 1.00 0.00 H new ATOM 0 HA GLU A 82 3.786 -4.896 18.391 1.00 0.00 H new ATOM 0 HB2 GLU A 82 3.256 -6.793 19.671 1.00 0.00 H new ATOM 0 HB3 GLU A 82 1.723 -6.044 19.270 1.00 0.00 H new ATOM 0 HG2 GLU A 82 1.372 -7.750 17.472 1.00 0.00 H new ATOM 0 HG3 GLU A 82 2.893 -8.507 17.903 1.00 0.00 H new ATOM 1247 N VAL A 83 5.592 -6.452 17.553 1.00 0.00 N ATOM 1248 CA VAL A 83 6.718 -7.100 16.885 1.00 0.00 C ATOM 1249 C VAL A 83 6.422 -8.590 16.747 1.00 0.00 C ATOM 1250 O VAL A 83 6.001 -9.251 17.700 1.00 0.00 O ATOM 1251 CB VAL A 83 8.041 -6.831 17.632 1.00 0.00 C ATOM 1252 CG1 VAL A 83 9.246 -7.353 16.834 1.00 0.00 C ATOM 1253 CG2 VAL A 83 8.256 -5.329 17.879 1.00 0.00 C ATOM 0 H VAL A 83 5.834 -6.036 18.453 1.00 0.00 H new ATOM 0 HA VAL A 83 6.844 -6.679 15.887 1.00 0.00 H new ATOM 0 HB VAL A 83 7.966 -7.355 18.585 1.00 0.00 H new ATOM 0 HG11 VAL A 83 10.164 -7.149 17.386 1.00 0.00 H new ATOM 0 HG12 VAL A 83 9.145 -8.428 16.683 1.00 0.00 H new ATOM 0 HG13 VAL A 83 9.286 -6.853 15.866 1.00 0.00 H new ATOM 0 HG21 VAL A 83 9.198 -5.178 18.407 1.00 0.00 H new ATOM 0 HG22 VAL A 83 8.287 -4.804 16.924 1.00 0.00 H new ATOM 0 HG23 VAL A 83 7.436 -4.938 18.481 1.00 0.00 H new ATOM 1263 N VAL A 84 6.693 -9.103 15.551 1.00 0.00 N ATOM 1264 CA VAL A 84 6.607 -10.506 15.211 1.00 0.00 C ATOM 1265 C VAL A 84 7.992 -11.038 14.797 1.00 0.00 C ATOM 1266 O VAL A 84 8.266 -12.208 15.067 1.00 0.00 O ATOM 1267 CB VAL A 84 5.461 -10.694 14.187 1.00 0.00 C ATOM 1268 CG1 VAL A 84 5.850 -10.392 12.731 1.00 0.00 C ATOM 1269 CG2 VAL A 84 4.858 -12.095 14.296 1.00 0.00 C ATOM 0 H VAL A 84 6.990 -8.524 14.766 1.00 0.00 H new ATOM 0 HA VAL A 84 6.338 -11.126 16.067 1.00 0.00 H new ATOM 0 HB VAL A 84 4.714 -9.947 14.455 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.987 -10.550 12.084 1.00 0.00 H new ATOM 0 HG12 VAL A 84 6.180 -9.356 12.650 1.00 0.00 H new ATOM 0 HG13 VAL A 84 6.659 -11.055 12.425 1.00 0.00 H new ATOM 0 HG21 VAL A 84 4.055 -12.203 13.567 1.00 0.00 H new ATOM 0 HG22 VAL A 84 5.629 -12.839 14.099 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.459 -12.242 15.300 1.00 0.00 H new ATOM 1279 N GLU A 85 8.904 -10.206 14.257 1.00 0.00 N ATOM 1280 CA GLU A 85 10.299 -10.611 13.993 1.00 0.00 C ATOM 1281 C GLU A 85 11.233 -9.396 14.101 1.00 0.00 C ATOM 1282 O GLU A 85 10.774 -8.256 14.019 1.00 0.00 O ATOM 1283 CB GLU A 85 10.464 -11.254 12.593 1.00 0.00 C ATOM 1284 CG GLU A 85 9.853 -12.650 12.378 1.00 0.00 C ATOM 1285 CD GLU A 85 10.545 -13.789 13.159 1.00 0.00 C ATOM 1286 OE1 GLU A 85 11.467 -13.547 13.972 1.00 0.00 O ATOM 1287 OE2 GLU A 85 10.186 -14.966 12.921 1.00 0.00 O ATOM 0 H GLU A 85 8.697 -9.243 13.993 1.00 0.00 H new ATOM 0 HA GLU A 85 10.563 -11.356 14.743 1.00 0.00 H new ATOM 0 HB2 GLU A 85 10.026 -10.578 11.858 1.00 0.00 H new ATOM 0 HB3 GLU A 85 11.530 -11.316 12.374 1.00 0.00 H new ATOM 0 HG2 GLU A 85 8.802 -12.619 12.665 1.00 0.00 H new ATOM 0 HG3 GLU A 85 9.887 -12.886 11.314 1.00 0.00 H new ATOM 1294 N THR A 86 12.544 -9.626 14.234 1.00 0.00 N ATOM 1295 CA THR A 86 13.578 -8.592 14.282 1.00 0.00 C ATOM 1296 C THR A 86 14.803 -9.092 13.497 1.00 0.00 C ATOM 1297 O THR A 86 15.121 -10.284 13.558 1.00 0.00 O ATOM 1298 CB THR A 86 13.963 -8.316 15.753 1.00 0.00 C ATOM 1299 OG1 THR A 86 12.823 -8.117 16.569 1.00 0.00 O ATOM 1300 CG2 THR A 86 14.872 -7.093 15.914 1.00 0.00 C ATOM 0 H THR A 86 12.925 -10.569 14.314 1.00 0.00 H new ATOM 0 HA THR A 86 13.211 -7.667 13.839 1.00 0.00 H new ATOM 0 HB THR A 86 14.504 -9.208 16.070 1.00 0.00 H new ATOM 0 HG1 THR A 86 13.107 -7.947 17.491 1.00 0.00 H new ATOM 0 HG21 THR A 86 15.107 -6.951 16.969 1.00 0.00 H new ATOM 0 HG22 THR A 86 15.794 -7.249 15.354 1.00 0.00 H new ATOM 0 HG23 THR A 86 14.362 -6.208 15.534 1.00 0.00 H new ATOM 1308 N SER A 87 15.510 -8.185 12.814 1.00 0.00 N ATOM 1309 CA SER A 87 16.751 -8.451 12.086 1.00 0.00 C ATOM 1310 C SER A 87 17.668 -7.227 12.206 1.00 0.00 C ATOM 1311 O SER A 87 17.176 -6.107 12.331 1.00 0.00 O ATOM 1312 CB SER A 87 16.439 -8.731 10.608 1.00 0.00 C ATOM 1313 OG SER A 87 15.486 -9.769 10.453 1.00 0.00 O ATOM 0 H SER A 87 15.221 -7.209 12.752 1.00 0.00 H new ATOM 0 HA SER A 87 17.248 -9.324 12.509 1.00 0.00 H new ATOM 0 HB2 SER A 87 16.064 -7.822 10.138 1.00 0.00 H new ATOM 0 HB3 SER A 87 17.358 -9.002 10.089 1.00 0.00 H new ATOM 0 HG SER A 87 15.314 -9.915 9.499 1.00 0.00 H new ATOM 1319 N VAL A 88 18.988 -7.411 12.141 1.00 0.00 N ATOM 1320 CA VAL A 88 19.975 -6.339 12.303 1.00 0.00 C ATOM 1321 C VAL A 88 20.988 -6.467 11.161 1.00 0.00 C ATOM 1322 O VAL A 88 21.341 -7.584 10.767 1.00 0.00 O ATOM 1323 CB VAL A 88 20.634 -6.443 13.701 1.00 0.00 C ATOM 1324 CG1 VAL A 88 21.668 -5.332 13.949 1.00 0.00 C ATOM 1325 CG2 VAL A 88 19.602 -6.393 14.840 1.00 0.00 C ATOM 0 H VAL A 88 19.409 -8.324 11.971 1.00 0.00 H new ATOM 0 HA VAL A 88 19.513 -5.353 12.251 1.00 0.00 H new ATOM 0 HB VAL A 88 21.134 -7.412 13.702 1.00 0.00 H new ATOM 0 HG11 VAL A 88 22.099 -5.452 14.943 1.00 0.00 H new ATOM 0 HG12 VAL A 88 22.458 -5.396 13.201 1.00 0.00 H new ATOM 0 HG13 VAL A 88 21.181 -4.359 13.880 1.00 0.00 H new ATOM 0 HG21 VAL A 88 20.114 -6.470 15.799 1.00 0.00 H new ATOM 0 HG22 VAL A 88 19.056 -5.451 14.795 1.00 0.00 H new ATOM 0 HG23 VAL A 88 18.903 -7.223 14.735 1.00 0.00 H new ATOM 1335 N GLY A 89 21.461 -5.337 10.634 1.00 0.00 N ATOM 1336 CA GLY A 89 22.411 -5.291 9.531 1.00 0.00 C ATOM 1337 C GLY A 89 21.728 -5.522 8.183 1.00 0.00 C ATOM 1338 O GLY A 89 20.510 -5.716 8.107 1.00 0.00 O ATOM 0 H GLY A 89 21.187 -4.414 10.970 1.00 0.00 H new ATOM 0 HA2 GLY A 89 22.912 -4.323 9.523 1.00 0.00 H new ATOM 0 HA3 GLY A 89 23.181 -6.048 9.683 1.00 0.00 H new ATOM 1342 N PHE A 90 22.522 -5.487 7.109 1.00 0.00 N ATOM 1343 CA PHE A 90 22.045 -5.724 5.748 1.00 0.00 C ATOM 1344 C PHE A 90 21.392 -7.100 5.642 1.00 0.00 C ATOM 1345 O PHE A 90 21.828 -8.061 6.285 1.00 0.00 O ATOM 1346 CB PHE A 90 23.209 -5.573 4.752 1.00 0.00 C ATOM 1347 CG PHE A 90 22.823 -5.811 3.302 1.00 0.00 C ATOM 1348 CD1 PHE A 90 22.853 -7.114 2.764 1.00 0.00 C ATOM 1349 CD2 PHE A 90 22.403 -4.736 2.495 1.00 0.00 C ATOM 1350 CE1 PHE A 90 22.446 -7.343 1.439 1.00 0.00 C ATOM 1351 CE2 PHE A 90 22.004 -4.965 1.166 1.00 0.00 C ATOM 1352 CZ PHE A 90 22.020 -6.268 0.639 1.00 0.00 C ATOM 0 H PHE A 90 23.522 -5.292 7.163 1.00 0.00 H new ATOM 0 HA PHE A 90 21.287 -4.982 5.499 1.00 0.00 H new ATOM 0 HB2 PHE A 90 23.625 -4.570 4.846 1.00 0.00 H new ATOM 0 HB3 PHE A 90 23.999 -6.272 5.025 1.00 0.00 H new ATOM 0 HD1 PHE A 90 23.190 -7.940 3.373 1.00 0.00 H new ATOM 0 HD2 PHE A 90 22.387 -3.734 2.897 1.00 0.00 H new ATOM 0 HE1 PHE A 90 22.460 -8.344 1.035 1.00 0.00 H new ATOM 0 HE2 PHE A 90 21.685 -4.138 0.549 1.00 0.00 H new ATOM 0 HZ PHE A 90 21.705 -6.443 -0.379 1.00 0.00 H new ATOM 1362 N LYS A 91 20.345 -7.190 4.819 1.00 0.00 N ATOM 1363 CA LYS A 91 19.535 -8.383 4.641 1.00 0.00 C ATOM 1364 C LYS A 91 19.007 -8.375 3.203 1.00 0.00 C ATOM 1365 O LYS A 91 18.567 -7.314 2.752 1.00 0.00 O ATOM 1366 CB LYS A 91 18.381 -8.340 5.667 1.00 0.00 C ATOM 1367 CG LYS A 91 18.138 -9.663 6.406 1.00 0.00 C ATOM 1368 CD LYS A 91 19.332 -10.213 7.207 1.00 0.00 C ATOM 1369 CE LYS A 91 19.796 -9.252 8.315 1.00 0.00 C ATOM 1370 NZ LYS A 91 21.212 -9.473 8.689 1.00 0.00 N ATOM 0 H LYS A 91 20.033 -6.408 4.244 1.00 0.00 H new ATOM 0 HA LYS A 91 20.107 -9.297 4.804 1.00 0.00 H new ATOM 0 HB2 LYS A 91 18.592 -7.562 6.401 1.00 0.00 H new ATOM 0 HB3 LYS A 91 17.464 -8.052 5.152 1.00 0.00 H new ATOM 0 HG2 LYS A 91 17.299 -9.527 7.088 1.00 0.00 H new ATOM 0 HG3 LYS A 91 17.837 -10.415 5.676 1.00 0.00 H new ATOM 0 HD2 LYS A 91 19.056 -11.169 7.653 1.00 0.00 H new ATOM 0 HD3 LYS A 91 20.162 -10.406 6.528 1.00 0.00 H new ATOM 0 HE2 LYS A 91 19.667 -8.223 7.979 1.00 0.00 H new ATOM 0 HE3 LYS A 91 19.165 -9.382 9.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 21.434 -8.928 9.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 21.369 -10.485 8.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 21.829 -9.162 7.912 1.00 0.00 H new ATOM 1384 N PRO A 92 19.054 -9.499 2.470 1.00 0.00 N ATOM 1385 CA PRO A 92 18.567 -9.550 1.100 1.00 0.00 C ATOM 1386 C PRO A 92 17.035 -9.548 1.067 1.00 0.00 C ATOM 1387 O PRO A 92 16.369 -10.000 2.004 1.00 0.00 O ATOM 1388 CB PRO A 92 19.152 -10.836 0.510 1.00 0.00 C ATOM 1389 CG PRO A 92 19.285 -11.755 1.724 1.00 0.00 C ATOM 1390 CD PRO A 92 19.619 -10.786 2.859 1.00 0.00 C ATOM 0 HA PRO A 92 18.874 -8.679 0.521 1.00 0.00 H new ATOM 0 HB2 PRO A 92 18.497 -11.264 -0.248 1.00 0.00 H new ATOM 0 HB3 PRO A 92 20.116 -10.657 0.034 1.00 0.00 H new ATOM 0 HG2 PRO A 92 18.362 -12.301 1.919 1.00 0.00 H new ATOM 0 HG3 PRO A 92 20.071 -12.497 1.583 1.00 0.00 H new ATOM 0 HD2 PRO A 92 19.194 -11.129 3.802 1.00 0.00 H new ATOM 0 HD3 PRO A 92 20.697 -10.711 3.003 1.00 0.00 H new ATOM 1398 N LYS A 93 16.475 -9.116 -0.068 1.00 0.00 N ATOM 1399 CA LYS A 93 15.030 -9.087 -0.310 1.00 0.00 C ATOM 1400 C LYS A 93 14.390 -10.458 -0.145 1.00 0.00 C ATOM 1401 O LYS A 93 13.222 -10.528 0.225 1.00 0.00 O ATOM 1402 CB LYS A 93 14.701 -8.498 -1.698 1.00 0.00 C ATOM 1403 CG LYS A 93 15.499 -9.116 -2.863 1.00 0.00 C ATOM 1404 CD LYS A 93 15.186 -8.477 -4.224 1.00 0.00 C ATOM 1405 CE LYS A 93 13.754 -8.805 -4.687 1.00 0.00 C ATOM 1406 NZ LYS A 93 13.552 -8.631 -6.148 1.00 0.00 N ATOM 0 H LYS A 93 17.023 -8.771 -0.856 1.00 0.00 H new ATOM 0 HA LYS A 93 14.602 -8.433 0.450 1.00 0.00 H new ATOM 0 HB2 LYS A 93 13.637 -8.632 -1.892 1.00 0.00 H new ATOM 0 HB3 LYS A 93 14.888 -7.424 -1.676 1.00 0.00 H new ATOM 0 HG2 LYS A 93 16.565 -9.013 -2.658 1.00 0.00 H new ATOM 0 HG3 LYS A 93 15.286 -10.184 -2.914 1.00 0.00 H new ATOM 0 HD2 LYS A 93 15.309 -7.396 -4.156 1.00 0.00 H new ATOM 0 HD3 LYS A 93 15.900 -8.833 -4.967 1.00 0.00 H new ATOM 0 HE2 LYS A 93 13.519 -9.834 -4.415 1.00 0.00 H new ATOM 0 HE3 LYS A 93 13.052 -8.166 -4.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 12.565 -8.851 -6.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 13.763 -7.648 -6.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 14.187 -9.272 -6.665 1.00 0.00 H new ATOM 1420 N GLU A 94 15.105 -11.539 -0.450 1.00 0.00 N ATOM 1421 CA GLU A 94 14.581 -12.893 -0.313 1.00 0.00 C ATOM 1422 C GLU A 94 14.338 -13.214 1.165 1.00 0.00 C ATOM 1423 O GLU A 94 13.245 -13.647 1.523 1.00 0.00 O ATOM 1424 CB GLU A 94 15.551 -13.883 -0.976 1.00 0.00 C ATOM 1425 CG GLU A 94 15.003 -15.318 -0.983 1.00 0.00 C ATOM 1426 CD GLU A 94 15.933 -16.271 -1.756 1.00 0.00 C ATOM 1427 OE1 GLU A 94 16.908 -16.792 -1.169 1.00 0.00 O ATOM 1428 OE2 GLU A 94 15.689 -16.525 -2.958 1.00 0.00 O ATOM 0 H GLU A 94 16.063 -11.499 -0.799 1.00 0.00 H new ATOM 0 HA GLU A 94 13.620 -12.979 -0.820 1.00 0.00 H new ATOM 0 HB2 GLU A 94 15.747 -13.566 -2.000 1.00 0.00 H new ATOM 0 HB3 GLU A 94 16.505 -13.863 -0.448 1.00 0.00 H new ATOM 0 HG2 GLU A 94 14.889 -15.671 0.042 1.00 0.00 H new ATOM 0 HG3 GLU A 94 14.011 -15.328 -1.436 1.00 0.00 H new ATOM 1435 N ALA A 95 15.318 -12.945 2.036 1.00 0.00 N ATOM 1436 CA ALA A 95 15.191 -13.214 3.463 1.00 0.00 C ATOM 1437 C ALA A 95 14.065 -12.375 4.063 1.00 0.00 C ATOM 1438 O ALA A 95 13.235 -12.885 4.817 1.00 0.00 O ATOM 1439 CB ALA A 95 16.517 -12.934 4.176 1.00 0.00 C ATOM 0 H ALA A 95 16.214 -12.537 1.768 1.00 0.00 H new ATOM 0 HA ALA A 95 14.943 -14.266 3.601 1.00 0.00 H new ATOM 0 HB1 ALA A 95 16.408 -13.139 5.241 1.00 0.00 H new ATOM 0 HB2 ALA A 95 17.295 -13.574 3.761 1.00 0.00 H new ATOM 0 HB3 ALA A 95 16.793 -11.889 4.034 1.00 0.00 H new ATOM 1445 N LEU A 96 14.013 -11.092 3.695 1.00 0.00 N ATOM 1446 CA LEU A 96 12.968 -10.198 4.170 1.00 0.00 C ATOM 1447 C LEU A 96 11.596 -10.689 3.714 1.00 0.00 C ATOM 1448 O LEU A 96 10.666 -10.716 4.517 1.00 0.00 O ATOM 1449 CB LEU A 96 13.216 -8.750 3.723 1.00 0.00 C ATOM 1450 CG LEU A 96 14.485 -8.090 4.297 1.00 0.00 C ATOM 1451 CD1 LEU A 96 14.581 -6.653 3.776 1.00 0.00 C ATOM 1452 CD2 LEU A 96 14.511 -8.071 5.833 1.00 0.00 C ATOM 0 H LEU A 96 14.687 -10.654 3.068 1.00 0.00 H new ATOM 0 HA LEU A 96 12.990 -10.206 5.260 1.00 0.00 H new ATOM 0 HB2 LEU A 96 13.276 -8.729 2.635 1.00 0.00 H new ATOM 0 HB3 LEU A 96 12.353 -8.147 4.006 1.00 0.00 H new ATOM 0 HG LEU A 96 15.336 -8.687 3.969 1.00 0.00 H new ATOM 0 HD11 LEU A 96 15.477 -6.179 4.178 1.00 0.00 H new ATOM 0 HD12 LEU A 96 14.633 -6.663 2.687 1.00 0.00 H new ATOM 0 HD13 LEU A 96 13.701 -6.092 4.091 1.00 0.00 H new ATOM 0 HD21 LEU A 96 15.429 -7.594 6.175 1.00 0.00 H new ATOM 0 HD22 LEU A 96 13.652 -7.513 6.205 1.00 0.00 H new ATOM 0 HD23 LEU A 96 14.471 -9.093 6.210 1.00 0.00 H new ATOM 1464 N GLN A 97 11.468 -11.131 2.461 1.00 0.00 N ATOM 1465 CA GLN A 97 10.225 -11.698 1.959 1.00 0.00 C ATOM 1466 C GLN A 97 9.838 -12.947 2.731 1.00 0.00 C ATOM 1467 O GLN A 97 8.659 -13.110 3.010 1.00 0.00 O ATOM 1468 CB GLN A 97 10.317 -12.035 0.464 1.00 0.00 C ATOM 1469 CG GLN A 97 9.959 -10.833 -0.412 1.00 0.00 C ATOM 1470 CD GLN A 97 10.337 -11.086 -1.869 1.00 0.00 C ATOM 1471 OE1 GLN A 97 9.503 -11.383 -2.718 1.00 0.00 O ATOM 1472 NE2 GLN A 97 11.620 -10.997 -2.180 1.00 0.00 N ATOM 0 H GLN A 97 12.221 -11.104 1.773 1.00 0.00 H new ATOM 0 HA GLN A 97 9.457 -10.938 2.099 1.00 0.00 H new ATOM 0 HB2 GLN A 97 11.327 -12.369 0.228 1.00 0.00 H new ATOM 0 HB3 GLN A 97 9.646 -12.864 0.236 1.00 0.00 H new ATOM 0 HG2 GLN A 97 8.890 -10.631 -0.340 1.00 0.00 H new ATOM 0 HG3 GLN A 97 10.476 -9.946 -0.047 1.00 0.00 H new ATOM 0 HE21 GLN A 97 12.302 -10.749 -1.464 1.00 0.00 H new ATOM 0 HE22 GLN A 97 11.927 -11.176 -3.136 1.00 0.00 H new ATOM 1481 N GLU A 98 10.776 -13.819 3.092 1.00 0.00 N ATOM 1482 CA GLU A 98 10.448 -15.012 3.864 1.00 0.00 C ATOM 1483 C GLU A 98 9.913 -14.624 5.246 1.00 0.00 C ATOM 1484 O GLU A 98 8.917 -15.189 5.697 1.00 0.00 O ATOM 1485 CB GLU A 98 11.653 -15.958 3.987 1.00 0.00 C ATOM 1486 CG GLU A 98 11.941 -16.710 2.681 1.00 0.00 C ATOM 1487 CD GLU A 98 13.062 -17.750 2.866 1.00 0.00 C ATOM 1488 OE1 GLU A 98 14.254 -17.376 2.933 1.00 0.00 O ATOM 1489 OE2 GLU A 98 12.759 -18.963 2.936 1.00 0.00 O ATOM 0 H GLU A 98 11.765 -13.722 2.863 1.00 0.00 H new ATOM 0 HA GLU A 98 9.667 -15.552 3.328 1.00 0.00 H new ATOM 0 HB2 GLU A 98 12.534 -15.384 4.275 1.00 0.00 H new ATOM 0 HB3 GLU A 98 11.467 -16.678 4.784 1.00 0.00 H new ATOM 0 HG2 GLU A 98 11.034 -17.208 2.339 1.00 0.00 H new ATOM 0 HG3 GLU A 98 12.227 -15.999 1.906 1.00 0.00 H new ATOM 1496 N LEU A 99 10.528 -13.630 5.894 1.00 0.00 N ATOM 1497 CA LEU A 99 10.087 -13.140 7.203 1.00 0.00 C ATOM 1498 C LEU A 99 8.683 -12.533 7.122 1.00 0.00 C ATOM 1499 O LEU A 99 7.874 -12.735 8.027 1.00 0.00 O ATOM 1500 CB LEU A 99 11.076 -12.107 7.770 1.00 0.00 C ATOM 1501 CG LEU A 99 12.447 -12.694 8.153 1.00 0.00 C ATOM 1502 CD1 LEU A 99 13.428 -11.557 8.446 1.00 0.00 C ATOM 1503 CD2 LEU A 99 12.372 -13.619 9.375 1.00 0.00 C ATOM 0 H LEU A 99 11.345 -13.143 5.526 1.00 0.00 H new ATOM 0 HA LEU A 99 10.055 -13.996 7.877 1.00 0.00 H new ATOM 0 HB2 LEU A 99 11.224 -11.318 7.032 1.00 0.00 H new ATOM 0 HB3 LEU A 99 10.633 -11.641 8.650 1.00 0.00 H new ATOM 0 HG LEU A 99 12.788 -13.291 7.307 1.00 0.00 H new ATOM 0 HD11 LEU A 99 14.398 -11.974 8.717 1.00 0.00 H new ATOM 0 HD12 LEU A 99 13.536 -10.932 7.559 1.00 0.00 H new ATOM 0 HD13 LEU A 99 13.049 -10.953 9.271 1.00 0.00 H new ATOM 0 HD21 LEU A 99 13.366 -14.005 9.601 1.00 0.00 H new ATOM 0 HD22 LEU A 99 11.996 -13.060 10.232 1.00 0.00 H new ATOM 0 HD23 LEU A 99 11.700 -14.450 9.161 1.00 0.00 H new ATOM 1515 N VAL A 100 8.374 -11.816 6.041 1.00 0.00 N ATOM 1516 CA VAL A 100 7.029 -11.333 5.748 1.00 0.00 C ATOM 1517 C VAL A 100 6.086 -12.531 5.539 1.00 0.00 C ATOM 1518 O VAL A 100 5.032 -12.629 6.166 1.00 0.00 O ATOM 1519 CB VAL A 100 7.110 -10.396 4.519 1.00 0.00 C ATOM 1520 CG1 VAL A 100 5.745 -10.032 3.925 1.00 0.00 C ATOM 1521 CG2 VAL A 100 7.857 -9.092 4.837 1.00 0.00 C ATOM 0 H VAL A 100 9.062 -11.552 5.336 1.00 0.00 H new ATOM 0 HA VAL A 100 6.617 -10.759 6.578 1.00 0.00 H new ATOM 0 HB VAL A 100 7.661 -10.976 3.779 1.00 0.00 H new ATOM 0 HG11 VAL A 100 5.885 -9.373 3.068 1.00 0.00 H new ATOM 0 HG12 VAL A 100 5.234 -10.940 3.605 1.00 0.00 H new ATOM 0 HG13 VAL A 100 5.144 -9.524 4.679 1.00 0.00 H new ATOM 0 HG21 VAL A 100 7.890 -8.465 3.946 1.00 0.00 H new ATOM 0 HG22 VAL A 100 7.339 -8.561 5.635 1.00 0.00 H new ATOM 0 HG23 VAL A 100 8.873 -9.323 5.155 1.00 0.00 H new ATOM 1531 N ASN A 101 6.482 -13.464 4.674 1.00 0.00 N ATOM 1532 CA ASN A 101 5.664 -14.559 4.162 1.00 0.00 C ATOM 1533 C ASN A 101 5.162 -15.454 5.287 1.00 0.00 C ATOM 1534 O ASN A 101 3.996 -15.846 5.281 1.00 0.00 O ATOM 1535 CB ASN A 101 6.484 -15.382 3.157 1.00 0.00 C ATOM 1536 CG ASN A 101 5.677 -16.497 2.505 1.00 0.00 C ATOM 1537 OD1 ASN A 101 5.392 -17.528 3.106 1.00 0.00 O ATOM 1538 ND2 ASN A 101 5.326 -16.325 1.243 1.00 0.00 N ATOM 0 H ASN A 101 7.428 -13.476 4.294 1.00 0.00 H new ATOM 0 HA ASN A 101 4.792 -14.133 3.665 1.00 0.00 H new ATOM 0 HB2 ASN A 101 6.871 -14.720 2.382 1.00 0.00 H new ATOM 0 HB3 ASN A 101 7.346 -15.814 3.666 1.00 0.00 H new ATOM 0 HD21 ASN A 101 4.810 -17.056 0.753 1.00 0.00 H new ATOM 0 HD22 ASN A 101 5.571 -15.461 0.759 1.00 0.00 H new ATOM 1545 N LYS A 102 6.017 -15.741 6.275 1.00 0.00 N ATOM 1546 CA LYS A 102 5.660 -16.627 7.382 1.00 0.00 C ATOM 1547 C LYS A 102 4.617 -16.018 8.331 1.00 0.00 C ATOM 1548 O LYS A 102 4.132 -16.741 9.203 1.00 0.00 O ATOM 1549 CB LYS A 102 6.922 -17.150 8.097 1.00 0.00 C ATOM 1550 CG LYS A 102 7.757 -16.068 8.800 1.00 0.00 C ATOM 1551 CD LYS A 102 9.057 -16.605 9.420 1.00 0.00 C ATOM 1552 CE LYS A 102 8.831 -17.529 10.627 1.00 0.00 C ATOM 1553 NZ LYS A 102 8.425 -16.789 11.845 1.00 0.00 N ATOM 0 H LYS A 102 6.965 -15.369 6.328 1.00 0.00 H new ATOM 0 HA LYS A 102 5.157 -17.496 6.957 1.00 0.00 H new ATOM 0 HB2 LYS A 102 6.623 -17.895 8.834 1.00 0.00 H new ATOM 0 HB3 LYS A 102 7.552 -17.659 7.367 1.00 0.00 H new ATOM 0 HG2 LYS A 102 8.002 -15.285 8.082 1.00 0.00 H new ATOM 0 HG3 LYS A 102 7.154 -15.606 9.582 1.00 0.00 H new ATOM 0 HD2 LYS A 102 9.615 -17.148 8.658 1.00 0.00 H new ATOM 0 HD3 LYS A 102 9.676 -15.763 9.729 1.00 0.00 H new ATOM 0 HE2 LYS A 102 8.063 -18.262 10.379 1.00 0.00 H new ATOM 0 HE3 LYS A 102 9.747 -18.083 10.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 8.028 -17.454 12.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 9.254 -16.314 12.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 7.707 -16.079 11.596 1.00 0.00 H new ATOM 1567 N HIS A 103 4.240 -14.743 8.164 1.00 0.00 N ATOM 1568 CA HIS A 103 3.211 -14.084 8.972 1.00 0.00 C ATOM 1569 C HIS A 103 2.075 -13.461 8.149 1.00 0.00 C ATOM 1570 O HIS A 103 1.025 -13.164 8.725 1.00 0.00 O ATOM 1571 CB HIS A 103 3.867 -13.050 9.892 1.00 0.00 C ATOM 1572 CG HIS A 103 4.725 -13.710 10.938 1.00 0.00 C ATOM 1573 ND1 HIS A 103 4.286 -14.540 11.946 1.00 0.00 N ATOM 1574 CD2 HIS A 103 6.091 -13.729 10.963 1.00 0.00 C ATOM 1575 CE1 HIS A 103 5.364 -15.048 12.562 1.00 0.00 C ATOM 1576 NE2 HIS A 103 6.495 -14.586 11.996 1.00 0.00 N ATOM 0 H HIS A 103 4.648 -14.135 7.454 1.00 0.00 H new ATOM 0 HA HIS A 103 2.731 -14.859 9.570 1.00 0.00 H new ATOM 0 HB2 HIS A 103 4.475 -12.367 9.299 1.00 0.00 H new ATOM 0 HB3 HIS A 103 3.096 -12.451 10.377 1.00 0.00 H new ATOM 0 HD1 HIS A 103 3.313 -14.734 12.182 1.00 0.00 H new ATOM 0 HD2 HIS A 103 6.745 -13.180 10.302 1.00 0.00 H new ATOM 0 HE1 HIS A 103 5.329 -15.733 13.396 1.00 0.00 H new ATOM 1584 N LEU A 104 2.237 -13.277 6.832 1.00 0.00 N ATOM 1585 CA LEU A 104 1.132 -12.905 5.953 1.00 0.00 C ATOM 1586 C LEU A 104 0.042 -13.971 6.031 1.00 0.00 C ATOM 1587 O LEU A 104 0.364 -15.178 6.007 1.00 0.00 O ATOM 1588 CB LEU A 104 1.595 -12.717 4.495 1.00 0.00 C ATOM 1589 CG LEU A 104 2.250 -11.360 4.177 1.00 0.00 C ATOM 1590 CD1 LEU A 104 2.620 -11.327 2.689 1.00 0.00 C ATOM 1591 CD2 LEU A 104 1.335 -10.166 4.479 1.00 0.00 C ATOM 1592 OXT LEU A 104 -1.147 -13.596 6.081 1.00 0.00 O ATOM 0 H LEU A 104 3.132 -13.382 6.354 1.00 0.00 H new ATOM 0 HA LEU A 104 0.736 -11.947 6.291 1.00 0.00 H new ATOM 0 HB2 LEU A 104 2.304 -13.509 4.252 1.00 0.00 H new ATOM 0 HB3 LEU A 104 0.734 -12.848 3.839 1.00 0.00 H new ATOM 0 HG LEU A 104 3.129 -11.268 4.815 1.00 0.00 H new ATOM 0 HD11 LEU A 104 3.085 -10.370 2.451 1.00 0.00 H new ATOM 0 HD12 LEU A 104 3.318 -12.135 2.470 1.00 0.00 H new ATOM 0 HD13 LEU A 104 1.720 -11.453 2.087 1.00 0.00 H new ATOM 0 HD21 LEU A 104 1.854 -9.239 4.234 1.00 0.00 H new ATOM 0 HD22 LEU A 104 0.427 -10.243 3.881 1.00 0.00 H new ATOM 0 HD23 LEU A 104 1.073 -10.167 5.537 1.00 0.00 H new TER 1604 LEU A 104