USER MOD reduce.3.24.130724 H: found=0, std=0, add=494, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 495 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 98 SER OG : rot -88:sc= 0.902 USER MOD Single : A 103 MET CE :methyl -119:sc= 0 (180deg=-1.25) USER MOD Single : A 106 LYS NZ :NH3+ 172:sc= -0.549 (180deg=-0.827) USER MOD Single : A 107 ASN : amide:sc= -0.261 X(o=-0.26,f=-0.41) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 146:sc= 1.01 (180deg=0.365) USER MOD Single : A 120 MET CE :methyl -142:sc= -0.404 (180deg=-3.25!) USER MOD Single : A 122 GLN : amide:sc= -0.15 X(o=-0.15,f=0) USER MOD Single : A 124 THR OG1 : rot -43:sc= 0.00493 USER MOD Single : A 127 THR OG1 : rot -49:sc= 0.531 USER MOD Single : A 129 THR OG1 : rot 180:sc= 0 USER MOD Single : A 137 MET CE :methyl -167:sc= -3.23! (180deg=-3.85!) USER MOD Single : A 138 LYS NZ :NH3+ -162:sc= -0.939 (180deg=-1.32) USER MOD Single : A 142 LYS NZ :NH3+ 173:sc= 1.79 (180deg=1.54) USER MOD Single : A 143 ASN : amide:sc= -0.351 X(o=-0.35,f=-0.56) USER MOD Single : A 144 ASN : amide:sc= -1.98 X(o=-2,f=-1.9) USER MOD Single : A 150 TYR OH : rot 180:sc= -0.737 USER MOD Single : A 157 MET CE :methyl -135:sc= -1.34 (180deg=-4.78!) USER MOD Single : A 158 LYS NZ :NH3+ -108:sc= 0.243 (180deg=-1.09!) USER MOD ----------------------------------------------------------------- ATOM 60 N GLU A 94 1.498 5.167 4.570 1.00 1.26 N ATOM 61 CA GLU A 94 1.379 6.442 5.348 1.00 1.17 C ATOM 62 C GLU A 94 2.507 6.579 6.388 1.00 1.12 C ATOM 63 O GLU A 94 2.728 7.650 6.921 1.00 1.09 O ATOM 64 CB GLU A 94 0.009 6.387 6.024 1.00 1.33 C ATOM 65 CG GLU A 94 -0.906 7.428 5.368 1.00 1.28 C ATOM 66 CD GLU A 94 -0.545 8.826 5.876 1.00 1.44 C ATOM 67 OE1 GLU A 94 -1.063 9.213 6.909 1.00 1.94 O ATOM 68 OE2 GLU A 94 0.244 9.486 5.220 1.00 2.09 O ATOM 0 HA GLU A 94 1.471 7.311 4.697 1.00 1.17 H new ATOM 0 HB2 GLU A 94 -0.421 5.390 5.925 1.00 1.33 H new ATOM 0 HB3 GLU A 94 0.106 6.588 7.091 1.00 1.33 H new ATOM 0 HG2 GLU A 94 -0.801 7.386 4.284 1.00 1.28 H new ATOM 0 HG3 GLU A 94 -1.948 7.206 5.596 1.00 1.28 H new ATOM 75 N GLU A 95 3.232 5.515 6.672 1.00 1.19 N ATOM 76 CA GLU A 95 4.354 5.603 7.667 1.00 1.23 C ATOM 77 C GLU A 95 5.353 6.689 7.237 1.00 1.03 C ATOM 78 O GLU A 95 5.714 7.558 8.009 1.00 1.01 O ATOM 79 CB GLU A 95 5.029 4.224 7.645 1.00 1.45 C ATOM 80 CG GLU A 95 4.153 3.196 8.375 1.00 1.90 C ATOM 81 CD GLU A 95 3.380 2.357 7.353 1.00 2.12 C ATOM 82 OE1 GLU A 95 3.951 1.409 6.839 1.00 2.49 O ATOM 83 OE2 GLU A 95 2.232 2.678 7.101 1.00 2.66 O ATOM 0 H GLU A 95 3.094 4.593 6.258 1.00 1.19 H new ATOM 0 HA GLU A 95 3.997 5.864 8.663 1.00 1.23 H new ATOM 0 HB2 GLU A 95 5.193 3.907 6.615 1.00 1.45 H new ATOM 0 HB3 GLU A 95 6.008 4.282 8.121 1.00 1.45 H new ATOM 0 HG2 GLU A 95 4.774 2.550 8.995 1.00 1.90 H new ATOM 0 HG3 GLU A 95 3.458 3.705 9.042 1.00 1.90 H new ATOM 90 N GLU A 96 5.788 6.644 6.002 1.00 1.02 N ATOM 91 CA GLU A 96 6.751 7.671 5.489 1.00 0.94 C ATOM 92 C GLU A 96 5.977 8.789 4.776 1.00 0.79 C ATOM 93 O GLU A 96 6.392 9.931 4.756 1.00 0.82 O ATOM 94 CB GLU A 96 7.649 6.926 4.488 1.00 1.15 C ATOM 95 CG GLU A 96 8.133 5.598 5.091 1.00 1.62 C ATOM 96 CD GLU A 96 7.508 4.426 4.327 1.00 1.99 C ATOM 97 OE1 GLU A 96 6.311 4.221 4.462 1.00 2.18 O ATOM 98 OE2 GLU A 96 8.237 3.748 3.624 1.00 2.78 O ATOM 0 H GLU A 96 5.516 5.935 5.321 1.00 1.02 H new ATOM 0 HA GLU A 96 7.333 8.128 6.289 1.00 0.94 H new ATOM 0 HB2 GLU A 96 7.098 6.736 3.567 1.00 1.15 H new ATOM 0 HB3 GLU A 96 8.505 7.547 4.225 1.00 1.15 H new ATOM 0 HG2 GLU A 96 9.220 5.539 5.040 1.00 1.62 H new ATOM 0 HG3 GLU A 96 7.860 5.545 6.145 1.00 1.62 H new ATOM 105 N LEU A 97 4.850 8.452 4.193 1.00 0.77 N ATOM 106 CA LEU A 97 4.011 9.460 3.468 1.00 0.71 C ATOM 107 C LEU A 97 3.671 10.652 4.377 1.00 0.67 C ATOM 108 O LEU A 97 3.899 11.795 4.023 1.00 0.75 O ATOM 109 CB LEU A 97 2.731 8.692 3.104 1.00 0.80 C ATOM 110 CG LEU A 97 2.801 8.108 1.683 1.00 0.77 C ATOM 111 CD1 LEU A 97 2.213 9.114 0.699 1.00 1.40 C ATOM 112 CD2 LEU A 97 4.252 7.787 1.294 1.00 1.22 C ATOM 0 H LEU A 97 4.470 7.505 4.189 1.00 0.77 H new ATOM 0 HA LEU A 97 4.524 9.872 2.599 1.00 0.71 H new ATOM 0 HB2 LEU A 97 2.574 7.886 3.821 1.00 0.80 H new ATOM 0 HB3 LEU A 97 1.872 9.359 3.181 1.00 0.80 H new ATOM 0 HG LEU A 97 2.228 7.181 1.654 1.00 0.77 H new ATOM 0 HD11 LEU A 97 2.260 8.706 -0.310 1.00 1.40 H new ATOM 0 HD12 LEU A 97 1.174 9.315 0.961 1.00 1.40 H new ATOM 0 HD13 LEU A 97 2.784 10.041 0.742 1.00 1.40 H new ATOM 0 HD21 LEU A 97 4.276 7.375 0.285 1.00 1.22 H new ATOM 0 HD22 LEU A 97 4.848 8.699 1.328 1.00 1.22 H new ATOM 0 HD23 LEU A 97 4.663 7.059 1.993 1.00 1.22 H new ATOM 124 N SER A 98 3.109 10.391 5.534 1.00 0.69 N ATOM 125 CA SER A 98 2.726 11.500 6.469 1.00 0.76 C ATOM 126 C SER A 98 3.932 12.390 6.810 1.00 0.72 C ATOM 127 O SER A 98 3.842 13.603 6.754 1.00 0.77 O ATOM 128 CB SER A 98 2.189 10.804 7.724 1.00 0.92 C ATOM 129 OG SER A 98 3.216 10.008 8.307 1.00 1.57 O ATOM 0 H SER A 98 2.898 9.453 5.873 1.00 0.69 H new ATOM 0 HA SER A 98 1.985 12.161 6.020 1.00 0.76 H new ATOM 0 HB2 SER A 98 1.839 11.546 8.442 1.00 0.92 H new ATOM 0 HB3 SER A 98 1.333 10.180 7.468 1.00 0.92 H new ATOM 0 HG SER A 98 3.201 9.112 7.910 1.00 1.57 H new ATOM 135 N ASP A 99 5.052 11.807 7.161 1.00 0.80 N ATOM 136 CA ASP A 99 6.254 12.635 7.504 1.00 0.86 C ATOM 137 C ASP A 99 6.790 13.359 6.260 1.00 0.81 C ATOM 138 O ASP A 99 7.220 14.495 6.337 1.00 0.91 O ATOM 139 CB ASP A 99 7.298 11.645 8.038 1.00 1.02 C ATOM 140 CG ASP A 99 7.950 12.218 9.297 1.00 1.23 C ATOM 141 OD1 ASP A 99 8.717 13.157 9.169 1.00 1.79 O ATOM 142 OD2 ASP A 99 7.673 11.708 10.370 1.00 1.83 O ATOM 0 H ASP A 99 5.187 10.798 7.225 1.00 0.80 H new ATOM 0 HA ASP A 99 6.013 13.405 8.237 1.00 0.86 H new ATOM 0 HB2 ASP A 99 6.826 10.689 8.264 1.00 1.02 H new ATOM 0 HB3 ASP A 99 8.056 11.455 7.278 1.00 1.02 H new ATOM 147 N LEU A 100 6.767 12.712 5.117 1.00 0.75 N ATOM 148 CA LEU A 100 7.277 13.360 3.863 1.00 0.76 C ATOM 149 C LEU A 100 6.551 14.689 3.600 1.00 0.68 C ATOM 150 O LEU A 100 7.172 15.693 3.313 1.00 0.79 O ATOM 151 CB LEU A 100 6.987 12.349 2.744 1.00 0.86 C ATOM 152 CG LEU A 100 8.006 12.521 1.614 1.00 0.79 C ATOM 153 CD1 LEU A 100 9.263 11.702 1.926 1.00 1.41 C ATOM 154 CD2 LEU A 100 7.397 12.033 0.296 1.00 1.41 C ATOM 0 H LEU A 100 6.417 11.762 4.998 1.00 0.75 H new ATOM 0 HA LEU A 100 8.338 13.599 3.931 1.00 0.76 H new ATOM 0 HB2 LEU A 100 7.034 11.334 3.137 1.00 0.86 H new ATOM 0 HB3 LEU A 100 5.977 12.496 2.361 1.00 0.86 H new ATOM 0 HG LEU A 100 8.271 13.575 1.526 1.00 0.79 H new ATOM 0 HD11 LEU A 100 9.987 11.826 1.121 1.00 1.41 H new ATOM 0 HD12 LEU A 100 9.700 12.048 2.863 1.00 1.41 H new ATOM 0 HD13 LEU A 100 8.998 10.649 2.017 1.00 1.41 H new ATOM 0 HD21 LEU A 100 8.123 12.156 -0.508 1.00 1.41 H new ATOM 0 HD22 LEU A 100 7.130 10.980 0.386 1.00 1.41 H new ATOM 0 HD23 LEU A 100 6.504 12.615 0.070 1.00 1.41 H new ATOM 166 N PHE A 101 5.243 14.701 3.705 1.00 0.60 N ATOM 167 CA PHE A 101 4.471 15.965 3.466 1.00 0.59 C ATOM 168 C PHE A 101 4.716 16.989 4.591 1.00 0.60 C ATOM 169 O PHE A 101 4.502 18.174 4.418 1.00 0.72 O ATOM 170 CB PHE A 101 3.001 15.534 3.470 1.00 0.61 C ATOM 171 CG PHE A 101 2.159 16.621 2.855 1.00 0.58 C ATOM 172 CD1 PHE A 101 2.166 16.805 1.472 1.00 0.86 C ATOM 173 CD2 PHE A 101 1.367 17.438 3.667 1.00 0.68 C ATOM 174 CE1 PHE A 101 1.383 17.806 0.897 1.00 0.90 C ATOM 175 CE2 PHE A 101 0.582 18.443 3.093 1.00 0.73 C ATOM 176 CZ PHE A 101 0.589 18.626 1.705 1.00 0.69 C ATOM 0 H PHE A 101 4.675 13.889 3.946 1.00 0.60 H new ATOM 0 HA PHE A 101 4.770 16.445 2.534 1.00 0.59 H new ATOM 0 HB2 PHE A 101 2.881 14.606 2.911 1.00 0.61 H new ATOM 0 HB3 PHE A 101 2.671 15.337 4.490 1.00 0.61 H new ATOM 0 HD1 PHE A 101 2.778 16.172 0.846 1.00 0.86 H new ATOM 0 HD2 PHE A 101 1.361 17.293 4.737 1.00 0.68 H new ATOM 0 HE1 PHE A 101 1.390 17.948 -0.174 1.00 0.90 H new ATOM 0 HE2 PHE A 101 -0.028 19.077 3.719 1.00 0.73 H new ATOM 0 HZ PHE A 101 -0.018 19.400 1.259 1.00 0.69 H new ATOM 186 N ARG A 102 5.137 16.535 5.742 1.00 0.67 N ATOM 187 CA ARG A 102 5.369 17.463 6.893 1.00 0.76 C ATOM 188 C ARG A 102 6.808 18.033 6.900 1.00 0.68 C ATOM 189 O ARG A 102 7.073 19.027 7.550 1.00 0.78 O ATOM 190 CB ARG A 102 5.118 16.578 8.128 1.00 0.99 C ATOM 191 CG ARG A 102 5.722 17.213 9.385 1.00 1.30 C ATOM 192 CD ARG A 102 7.115 16.623 9.637 1.00 1.45 C ATOM 193 NE ARG A 102 7.120 16.241 11.078 1.00 2.12 N ATOM 194 CZ ARG A 102 7.595 15.084 11.439 1.00 2.71 C ATOM 195 NH1 ARG A 102 8.882 14.895 11.478 1.00 3.07 N ATOM 196 NH2 ARG A 102 6.784 14.119 11.766 1.00 3.37 N1+ ATOM 0 H ARG A 102 5.332 15.553 5.938 1.00 0.67 H new ATOM 0 HA ARG A 102 4.721 18.339 6.853 1.00 0.76 H new ATOM 0 HB2 ARG A 102 4.046 16.435 8.267 1.00 0.99 H new ATOM 0 HB3 ARG A 102 5.553 15.592 7.968 1.00 0.99 H new ATOM 0 HG2 ARG A 102 5.790 18.294 9.263 1.00 1.30 H new ATOM 0 HG3 ARG A 102 5.077 17.029 10.244 1.00 1.30 H new ATOM 0 HD2 ARG A 102 7.298 15.758 8.999 1.00 1.45 H new ATOM 0 HD3 ARG A 102 7.897 17.351 9.419 1.00 1.45 H new ATOM 0 HE ARG A 102 6.752 16.884 11.779 1.00 2.12 H new ATOM 0 HH11 ARG A 102 9.517 15.653 11.226 1.00 3.07 H new ATOM 0 HH12 ARG A 102 9.256 13.989 11.761 1.00 3.07 H new ATOM 0 HH21 ARG A 102 5.775 14.269 11.739 1.00 3.37 H new ATOM 0 HH22 ARG A 102 7.157 13.213 12.049 1.00 3.37 H new ATOM 210 N MET A 103 7.742 17.410 6.219 1.00 0.71 N ATOM 211 CA MET A 103 9.156 17.924 6.247 1.00 0.75 C ATOM 212 C MET A 103 9.506 18.829 5.051 1.00 0.68 C ATOM 213 O MET A 103 10.420 19.629 5.140 1.00 0.83 O ATOM 214 CB MET A 103 10.034 16.669 6.212 1.00 0.93 C ATOM 215 CG MET A 103 10.082 16.025 7.600 1.00 1.27 C ATOM 216 SD MET A 103 11.488 14.885 7.688 1.00 1.82 S ATOM 217 CE MET A 103 10.744 13.514 6.769 1.00 2.43 C ATOM 0 H MET A 103 7.592 16.577 5.650 1.00 0.71 H new ATOM 0 HA MET A 103 9.307 18.543 7.131 1.00 0.75 H new ATOM 0 HB2 MET A 103 9.639 15.959 5.486 1.00 0.93 H new ATOM 0 HB3 MET A 103 11.042 16.929 5.888 1.00 0.93 H new ATOM 0 HG2 MET A 103 10.175 16.794 8.367 1.00 1.27 H new ATOM 0 HG3 MET A 103 9.153 15.490 7.797 1.00 1.27 H new ATOM 0 HE1 MET A 103 10.689 12.634 7.410 1.00 2.43 H new ATOM 0 HE2 MET A 103 9.740 13.793 6.449 1.00 2.43 H new ATOM 0 HE3 MET A 103 11.354 13.288 5.895 1.00 2.43 H new ATOM 227 N PHE A 104 8.841 18.699 3.929 1.00 0.68 N ATOM 228 CA PHE A 104 9.222 19.550 2.748 1.00 0.79 C ATOM 229 C PHE A 104 8.277 20.744 2.529 1.00 0.71 C ATOM 230 O PHE A 104 8.485 21.522 1.616 1.00 0.88 O ATOM 231 CB PHE A 104 9.169 18.612 1.540 1.00 0.94 C ATOM 232 CG PHE A 104 10.113 17.446 1.741 1.00 1.31 C ATOM 233 CD1 PHE A 104 11.426 17.660 2.183 1.00 2.03 C ATOM 234 CD2 PHE A 104 9.667 16.149 1.480 1.00 1.26 C ATOM 235 CE1 PHE A 104 12.289 16.571 2.364 1.00 2.65 C ATOM 236 CE2 PHE A 104 10.528 15.060 1.660 1.00 1.86 C ATOM 237 CZ PHE A 104 11.839 15.271 2.102 1.00 2.56 C ATOM 0 H PHE A 104 8.065 18.055 3.776 1.00 0.68 H new ATOM 0 HA PHE A 104 10.207 19.989 2.908 1.00 0.79 H new ATOM 0 HB2 PHE A 104 8.152 18.246 1.399 1.00 0.94 H new ATOM 0 HB3 PHE A 104 9.440 19.157 0.635 1.00 0.94 H new ATOM 0 HD1 PHE A 104 11.772 18.663 2.384 1.00 2.03 H new ATOM 0 HD2 PHE A 104 8.656 15.986 1.138 1.00 1.26 H new ATOM 0 HE1 PHE A 104 13.301 16.734 2.705 1.00 2.65 H new ATOM 0 HE2 PHE A 104 10.181 14.058 1.458 1.00 1.86 H new ATOM 0 HZ PHE A 104 12.504 14.431 2.241 1.00 2.56 H new ATOM 247 N ASP A 105 7.255 20.914 3.334 1.00 0.61 N ATOM 248 CA ASP A 105 6.334 22.080 3.127 1.00 0.60 C ATOM 249 C ASP A 105 7.054 23.387 3.506 1.00 0.56 C ATOM 250 O ASP A 105 6.846 23.946 4.569 1.00 0.63 O ATOM 251 CB ASP A 105 5.127 21.820 4.037 1.00 0.68 C ATOM 252 CG ASP A 105 3.921 22.614 3.526 1.00 0.86 C ATOM 253 OD1 ASP A 105 3.268 22.144 2.609 1.00 0.84 O ATOM 254 OD2 ASP A 105 3.672 23.686 4.054 1.00 1.45 O ATOM 0 H ASP A 105 7.019 20.304 4.117 1.00 0.61 H new ATOM 0 HA ASP A 105 6.021 22.184 2.088 1.00 0.60 H new ATOM 0 HB2 ASP A 105 4.894 20.755 4.054 1.00 0.68 H new ATOM 0 HB3 ASP A 105 5.361 22.112 5.061 1.00 0.68 H new ATOM 259 N LYS A 106 7.913 23.864 2.635 1.00 0.59 N ATOM 260 CA LYS A 106 8.681 25.124 2.911 1.00 0.66 C ATOM 261 C LYS A 106 7.744 26.340 2.969 1.00 0.55 C ATOM 262 O LYS A 106 7.983 27.279 3.704 1.00 0.63 O ATOM 263 CB LYS A 106 9.665 25.244 1.735 1.00 0.87 C ATOM 264 CG LYS A 106 10.317 26.634 1.727 1.00 1.21 C ATOM 265 CD LYS A 106 10.377 27.163 0.289 1.00 1.61 C ATOM 266 CE LYS A 106 9.126 28.003 -0.013 1.00 1.77 C ATOM 267 NZ LYS A 106 8.640 27.526 -1.341 1.00 2.14 N1+ ATOM 0 H LYS A 106 8.117 23.430 1.735 1.00 0.59 H new ATOM 0 HA LYS A 106 9.190 25.092 3.874 1.00 0.66 H new ATOM 0 HB2 LYS A 106 10.433 24.475 1.814 1.00 0.87 H new ATOM 0 HB3 LYS A 106 9.141 25.075 0.794 1.00 0.87 H new ATOM 0 HG2 LYS A 106 9.746 27.319 2.354 1.00 1.21 H new ATOM 0 HG3 LYS A 106 11.321 26.579 2.148 1.00 1.21 H new ATOM 0 HD2 LYS A 106 11.273 27.768 0.152 1.00 1.61 H new ATOM 0 HD3 LYS A 106 10.444 26.330 -0.411 1.00 1.61 H new ATOM 0 HE2 LYS A 106 8.366 27.866 0.756 1.00 1.77 H new ATOM 0 HE3 LYS A 106 9.364 29.066 -0.040 1.00 1.77 H new ATOM 0 HZ1 LYS A 106 7.717 27.957 -1.548 1.00 2.14 H new ATOM 0 HZ2 LYS A 106 9.322 27.797 -2.078 1.00 2.14 H new ATOM 0 HZ3 LYS A 106 8.542 26.491 -1.324 1.00 2.14 H new ATOM 281 N ASN A 107 6.687 26.331 2.198 1.00 0.48 N ATOM 282 CA ASN A 107 5.740 27.490 2.203 1.00 0.50 C ATOM 283 C ASN A 107 4.993 27.587 3.553 1.00 0.58 C ATOM 284 O ASN A 107 4.540 28.649 3.935 1.00 0.70 O ATOM 285 CB ASN A 107 4.779 27.190 1.057 1.00 0.54 C ATOM 286 CG ASN A 107 3.923 28.411 0.735 1.00 0.70 C ATOM 287 OD1 ASN A 107 4.420 29.511 0.612 1.00 1.00 O ATOM 288 ND2 ASN A 107 2.642 28.252 0.582 1.00 0.78 N ATOM 0 H ASN A 107 6.437 25.572 1.564 1.00 0.48 H new ATOM 0 HA ASN A 107 6.246 28.447 2.078 1.00 0.50 H new ATOM 0 HB2 ASN A 107 5.342 26.891 0.173 1.00 0.54 H new ATOM 0 HB3 ASN A 107 4.137 26.351 1.325 1.00 0.54 H new ATOM 0 HD21 ASN A 107 2.052 29.053 0.358 1.00 0.78 H new ATOM 0 HD22 ASN A 107 2.227 27.326 0.686 1.00 0.78 H new ATOM 295 N ALA A 108 4.890 26.489 4.280 1.00 0.65 N ATOM 296 CA ALA A 108 4.204 26.487 5.623 1.00 0.84 C ATOM 297 C ALA A 108 2.704 26.824 5.517 1.00 0.78 C ATOM 298 O ALA A 108 2.312 27.975 5.514 1.00 0.96 O ATOM 299 CB ALA A 108 4.942 27.541 6.459 1.00 1.03 C ATOM 0 H ALA A 108 5.258 25.582 3.994 1.00 0.65 H new ATOM 0 HA ALA A 108 4.245 25.496 6.076 1.00 0.84 H new ATOM 0 HB1 ALA A 108 4.496 27.595 7.452 1.00 1.03 H new ATOM 0 HB2 ALA A 108 5.993 27.265 6.548 1.00 1.03 H new ATOM 0 HB3 ALA A 108 4.862 28.513 5.972 1.00 1.03 H new ATOM 305 N ASP A 109 1.864 25.811 5.457 1.00 0.73 N ATOM 306 CA ASP A 109 0.375 26.036 5.378 1.00 0.74 C ATOM 307 C ASP A 109 -0.388 24.693 5.350 1.00 0.78 C ATOM 308 O ASP A 109 -1.516 24.613 5.799 1.00 0.96 O ATOM 309 CB ASP A 109 0.114 26.841 4.090 1.00 0.72 C ATOM 310 CG ASP A 109 0.890 26.251 2.916 1.00 1.15 C ATOM 311 OD1 ASP A 109 0.369 25.361 2.270 1.00 1.95 O ATOM 312 OD2 ASP A 109 1.993 26.702 2.681 1.00 1.66 O ATOM 0 H ASP A 109 2.147 24.831 5.459 1.00 0.73 H new ATOM 0 HA ASP A 109 0.021 26.579 6.254 1.00 0.74 H new ATOM 0 HB2 ASP A 109 -0.952 26.839 3.865 1.00 0.72 H new ATOM 0 HB3 ASP A 109 0.407 27.880 4.240 1.00 0.72 H new ATOM 317 N GLY A 110 0.213 23.640 4.836 1.00 0.76 N ATOM 318 CA GLY A 110 -0.486 22.313 4.797 1.00 0.85 C ATOM 319 C GLY A 110 -0.716 21.852 3.348 1.00 0.70 C ATOM 320 O GLY A 110 -1.296 20.809 3.117 1.00 0.73 O ATOM 0 H GLY A 110 1.154 23.644 4.443 1.00 0.76 H new ATOM 0 HA2 GLY A 110 0.108 21.570 5.329 1.00 0.85 H new ATOM 0 HA3 GLY A 110 -1.442 22.387 5.315 1.00 0.85 H new ATOM 324 N TYR A 111 -0.274 22.610 2.371 1.00 0.68 N ATOM 325 CA TYR A 111 -0.477 22.198 0.945 1.00 0.60 C ATOM 326 C TYR A 111 0.793 22.476 0.138 1.00 0.58 C ATOM 327 O TYR A 111 1.278 23.589 0.102 1.00 0.83 O ATOM 328 CB TYR A 111 -1.629 23.070 0.431 1.00 0.68 C ATOM 329 CG TYR A 111 -2.884 22.785 1.221 1.00 0.68 C ATOM 330 CD1 TYR A 111 -3.134 23.484 2.409 1.00 0.78 C ATOM 331 CD2 TYR A 111 -3.796 21.825 0.766 1.00 0.71 C ATOM 332 CE1 TYR A 111 -4.295 23.220 3.143 1.00 0.83 C ATOM 333 CE2 TYR A 111 -4.957 21.562 1.501 1.00 0.78 C ATOM 334 CZ TYR A 111 -5.206 22.260 2.689 1.00 0.80 C ATOM 335 OH TYR A 111 -6.351 22.003 3.412 1.00 0.90 O ATOM 0 H TYR A 111 0.218 23.494 2.500 1.00 0.68 H new ATOM 0 HA TYR A 111 -0.699 21.135 0.852 1.00 0.60 H new ATOM 0 HB2 TYR A 111 -1.366 24.124 0.519 1.00 0.68 H new ATOM 0 HB3 TYR A 111 -1.802 22.872 -0.627 1.00 0.68 H new ATOM 0 HD1 TYR A 111 -2.431 24.226 2.758 1.00 0.78 H new ATOM 0 HD2 TYR A 111 -3.603 21.288 -0.151 1.00 0.71 H new ATOM 0 HE1 TYR A 111 -4.488 23.757 4.060 1.00 0.83 H new ATOM 0 HE2 TYR A 111 -5.661 20.821 1.152 1.00 0.78 H new ATOM 0 HH TYR A 111 -6.876 21.311 2.958 1.00 0.90 H new ATOM 345 N ILE A 112 1.333 21.481 -0.516 1.00 0.50 N ATOM 346 CA ILE A 112 2.574 21.706 -1.321 1.00 0.50 C ATOM 347 C ILE A 112 2.221 22.319 -2.682 1.00 0.49 C ATOM 348 O ILE A 112 1.204 22.007 -3.271 1.00 0.66 O ATOM 349 CB ILE A 112 3.210 20.320 -1.485 1.00 0.50 C ATOM 350 CG1 ILE A 112 3.842 19.897 -0.155 1.00 0.62 C ATOM 351 CG2 ILE A 112 4.296 20.373 -2.563 1.00 0.58 C ATOM 352 CD1 ILE A 112 4.297 18.436 -0.238 1.00 0.66 C ATOM 0 H ILE A 112 0.972 20.527 -0.529 1.00 0.50 H new ATOM 0 HA ILE A 112 3.259 22.401 -0.836 1.00 0.50 H new ATOM 0 HB ILE A 112 2.444 19.602 -1.779 1.00 0.50 H new ATOM 0 HG12 ILE A 112 4.692 20.540 0.075 1.00 0.62 H new ATOM 0 HG13 ILE A 112 3.123 20.018 0.655 1.00 0.62 H new ATOM 0 HG21 ILE A 112 4.745 19.386 -2.676 1.00 0.58 H new ATOM 0 HG22 ILE A 112 3.854 20.681 -3.510 1.00 0.58 H new ATOM 0 HG23 ILE A 112 5.064 21.090 -2.271 1.00 0.58 H new ATOM 0 HD11 ILE A 112 4.746 18.140 0.710 1.00 0.66 H new ATOM 0 HD12 ILE A 112 3.438 17.799 -0.447 1.00 0.66 H new ATOM 0 HD13 ILE A 112 5.032 18.328 -1.036 1.00 0.66 H new ATOM 364 N ASP A 113 3.059 23.192 -3.177 1.00 0.47 N ATOM 365 CA ASP A 113 2.792 23.840 -4.494 1.00 0.50 C ATOM 366 C ASP A 113 3.840 23.402 -5.526 1.00 0.50 C ATOM 367 O ASP A 113 4.801 22.726 -5.204 1.00 0.57 O ATOM 368 CB ASP A 113 2.907 25.342 -4.217 1.00 0.60 C ATOM 369 CG ASP A 113 1.994 26.118 -5.168 1.00 1.17 C ATOM 370 OD1 ASP A 113 2.417 26.382 -6.281 1.00 1.77 O ATOM 371 OD2 ASP A 113 0.889 26.440 -4.765 1.00 1.85 O ATOM 0 H ASP A 113 3.923 23.486 -2.721 1.00 0.47 H new ATOM 0 HA ASP A 113 1.818 23.569 -4.901 1.00 0.50 H new ATOM 0 HB2 ASP A 113 2.633 25.552 -3.183 1.00 0.60 H new ATOM 0 HB3 ASP A 113 3.940 25.666 -4.345 1.00 0.60 H new ATOM 376 N LEU A 114 3.657 23.792 -6.764 1.00 0.52 N ATOM 377 CA LEU A 114 4.630 23.419 -7.842 1.00 0.57 C ATOM 378 C LEU A 114 6.061 23.826 -7.455 1.00 0.63 C ATOM 379 O LEU A 114 7.008 23.104 -7.709 1.00 0.80 O ATOM 380 CB LEU A 114 4.174 24.208 -9.073 1.00 0.62 C ATOM 381 CG LEU A 114 3.270 23.334 -9.943 1.00 0.61 C ATOM 382 CD1 LEU A 114 2.290 24.222 -10.712 1.00 0.91 C ATOM 383 CD2 LEU A 114 4.127 22.543 -10.934 1.00 0.81 C ATOM 0 H LEU A 114 2.869 24.358 -7.078 1.00 0.52 H new ATOM 0 HA LEU A 114 4.647 22.343 -8.017 1.00 0.57 H new ATOM 0 HB2 LEU A 114 3.639 25.105 -8.763 1.00 0.62 H new ATOM 0 HB3 LEU A 114 5.040 24.536 -9.647 1.00 0.62 H new ATOM 0 HG LEU A 114 2.714 22.642 -9.310 1.00 0.61 H new ATOM 0 HD11 LEU A 114 1.645 23.600 -11.333 1.00 0.91 H new ATOM 0 HD12 LEU A 114 1.680 24.786 -10.007 1.00 0.91 H new ATOM 0 HD13 LEU A 114 2.846 24.913 -11.345 1.00 0.91 H new ATOM 0 HD21 LEU A 114 3.484 21.920 -11.555 1.00 0.81 H new ATOM 0 HD22 LEU A 114 4.683 23.235 -11.567 1.00 0.81 H new ATOM 0 HD23 LEU A 114 4.826 21.911 -10.387 1.00 0.81 H new ATOM 395 N ASP A 115 6.219 24.977 -6.850 1.00 0.61 N ATOM 396 CA ASP A 115 7.584 25.441 -6.452 1.00 0.71 C ATOM 397 C ASP A 115 8.104 24.649 -5.243 1.00 0.65 C ATOM 398 O ASP A 115 9.227 24.190 -5.247 1.00 0.89 O ATOM 399 CB ASP A 115 7.417 26.925 -6.098 1.00 0.80 C ATOM 400 CG ASP A 115 8.707 27.456 -5.466 1.00 1.17 C ATOM 401 OD1 ASP A 115 9.645 27.710 -6.203 1.00 1.76 O ATOM 402 OD2 ASP A 115 8.735 27.597 -4.254 1.00 1.76 O ATOM 0 H ASP A 115 5.460 25.616 -6.614 1.00 0.61 H new ATOM 0 HA ASP A 115 8.310 25.291 -7.251 1.00 0.71 H new ATOM 0 HB2 ASP A 115 7.178 27.497 -6.994 1.00 0.80 H new ATOM 0 HB3 ASP A 115 6.584 27.052 -5.407 1.00 0.80 H new ATOM 407 N GLU A 116 7.304 24.498 -4.210 1.00 0.51 N ATOM 408 CA GLU A 116 7.769 23.745 -2.991 1.00 0.48 C ATOM 409 C GLU A 116 8.321 22.365 -3.375 1.00 0.49 C ATOM 410 O GLU A 116 9.329 21.933 -2.847 1.00 0.63 O ATOM 411 CB GLU A 116 6.545 23.596 -2.082 1.00 0.48 C ATOM 412 CG GLU A 116 5.926 24.965 -1.796 1.00 0.57 C ATOM 413 CD GLU A 116 4.902 24.818 -0.670 1.00 0.60 C ATOM 414 OE1 GLU A 116 5.284 24.371 0.401 1.00 1.19 O ATOM 415 OE2 GLU A 116 3.752 25.155 -0.893 1.00 1.36 O ATOM 0 H GLU A 116 6.352 24.861 -4.156 1.00 0.51 H new ATOM 0 HA GLU A 116 8.575 24.280 -2.489 1.00 0.48 H new ATOM 0 HB2 GLU A 116 5.808 22.948 -2.556 1.00 0.48 H new ATOM 0 HB3 GLU A 116 6.835 23.118 -1.146 1.00 0.48 H new ATOM 0 HG2 GLU A 116 6.700 25.677 -1.511 1.00 0.57 H new ATOM 0 HG3 GLU A 116 5.447 25.357 -2.693 1.00 0.57 H new ATOM 422 N LEU A 117 7.689 21.678 -4.301 1.00 0.48 N ATOM 423 CA LEU A 117 8.212 20.336 -4.721 1.00 0.52 C ATOM 424 C LEU A 117 9.656 20.491 -5.221 1.00 0.58 C ATOM 425 O LEU A 117 10.501 19.650 -4.986 1.00 0.69 O ATOM 426 CB LEU A 117 7.315 19.867 -5.875 1.00 0.55 C ATOM 427 CG LEU A 117 5.852 19.764 -5.425 1.00 0.50 C ATOM 428 CD1 LEU A 117 4.946 20.059 -6.617 1.00 0.58 C ATOM 429 CD2 LEU A 117 5.558 18.351 -4.912 1.00 0.53 C ATOM 0 H LEU A 117 6.842 21.985 -4.780 1.00 0.48 H new ATOM 0 HA LEU A 117 8.205 19.623 -3.897 1.00 0.52 H new ATOM 0 HB2 LEU A 117 7.395 20.564 -6.709 1.00 0.55 H new ATOM 0 HB3 LEU A 117 7.658 18.897 -6.236 1.00 0.55 H new ATOM 0 HG LEU A 117 5.670 20.481 -4.624 1.00 0.50 H new ATOM 0 HD11 LEU A 117 3.903 19.988 -6.308 1.00 0.58 H new ATOM 0 HD12 LEU A 117 5.147 21.064 -6.987 1.00 0.58 H new ATOM 0 HD13 LEU A 117 5.139 19.335 -7.409 1.00 0.58 H new ATOM 0 HD21 LEU A 117 4.517 18.288 -4.595 1.00 0.53 H new ATOM 0 HD22 LEU A 117 5.739 17.630 -5.709 1.00 0.53 H new ATOM 0 HD23 LEU A 117 6.209 18.128 -4.066 1.00 0.53 H new ATOM 441 N LYS A 118 9.931 21.574 -5.908 1.00 0.59 N ATOM 442 CA LYS A 118 11.303 21.828 -6.438 1.00 0.69 C ATOM 443 C LYS A 118 12.248 22.276 -5.311 1.00 0.64 C ATOM 444 O LYS A 118 13.427 21.979 -5.335 1.00 0.73 O ATOM 445 CB LYS A 118 11.108 22.952 -7.462 1.00 0.83 C ATOM 446 CG LYS A 118 12.461 23.396 -8.027 1.00 0.99 C ATOM 447 CD LYS A 118 12.609 24.913 -7.875 1.00 1.35 C ATOM 448 CE LYS A 118 11.539 25.621 -8.712 1.00 1.51 C ATOM 449 NZ LYS A 118 11.549 27.037 -8.242 1.00 1.99 N1+ ATOM 0 H LYS A 118 9.251 22.302 -6.126 1.00 0.59 H new ATOM 0 HA LYS A 118 11.753 20.937 -6.876 1.00 0.69 H new ATOM 0 HB2 LYS A 118 10.463 22.609 -8.271 1.00 0.83 H new ATOM 0 HB3 LYS A 118 10.607 23.798 -6.992 1.00 0.83 H new ATOM 0 HG2 LYS A 118 13.270 22.887 -7.503 1.00 0.99 H new ATOM 0 HG3 LYS A 118 12.537 23.117 -9.078 1.00 0.99 H new ATOM 0 HD2 LYS A 118 12.510 25.195 -6.827 1.00 1.35 H new ATOM 0 HD3 LYS A 118 13.602 25.226 -8.197 1.00 1.35 H new ATOM 0 HE2 LYS A 118 11.766 25.558 -9.776 1.00 1.51 H new ATOM 0 HE3 LYS A 118 10.560 25.165 -8.567 1.00 1.51 H new ATOM 0 HZ1 LYS A 118 11.339 27.669 -9.041 1.00 1.99 H new ATOM 0 HZ2 LYS A 118 10.829 27.162 -7.502 1.00 1.99 H new ATOM 0 HZ3 LYS A 118 12.486 27.268 -7.855 1.00 1.99 H new ATOM 463 N ILE A 119 11.742 22.988 -4.327 1.00 0.68 N ATOM 464 CA ILE A 119 12.619 23.455 -3.200 1.00 0.74 C ATOM 465 C ILE A 119 13.330 22.258 -2.558 1.00 0.75 C ATOM 466 O ILE A 119 14.541 22.232 -2.443 1.00 0.85 O ATOM 467 CB ILE A 119 11.685 24.118 -2.174 1.00 0.98 C ATOM 468 CG1 ILE A 119 10.859 25.234 -2.832 1.00 1.22 C ATOM 469 CG2 ILE A 119 12.522 24.710 -1.036 1.00 1.08 C ATOM 470 CD1 ILE A 119 11.779 26.297 -3.436 1.00 1.06 C ATOM 0 H ILE A 119 10.763 23.265 -4.256 1.00 0.68 H new ATOM 0 HA ILE A 119 13.383 24.148 -3.553 1.00 0.74 H new ATOM 0 HB ILE A 119 11.003 23.363 -1.784 1.00 0.98 H new ATOM 0 HG12 ILE A 119 10.221 24.813 -3.609 1.00 1.22 H new ATOM 0 HG13 ILE A 119 10.201 25.691 -2.093 1.00 1.22 H new ATOM 0 HG21 ILE A 119 11.863 25.181 -0.307 1.00 1.08 H new ATOM 0 HG22 ILE A 119 13.091 23.916 -0.552 1.00 1.08 H new ATOM 0 HG23 ILE A 119 13.209 25.455 -1.439 1.00 1.08 H new ATOM 0 HD11 ILE A 119 11.177 27.080 -3.898 1.00 1.06 H new ATOM 0 HD12 ILE A 119 12.398 26.731 -2.651 1.00 1.06 H new ATOM 0 HD13 ILE A 119 12.418 25.839 -4.190 1.00 1.06 H new ATOM 482 N MET A 120 12.580 21.266 -2.143 1.00 0.85 N ATOM 483 CA MET A 120 13.200 20.058 -1.510 1.00 1.01 C ATOM 484 C MET A 120 13.977 19.234 -2.553 1.00 0.95 C ATOM 485 O MET A 120 14.914 18.533 -2.223 1.00 1.11 O ATOM 486 CB MET A 120 12.029 19.246 -0.933 1.00 1.17 C ATOM 487 CG MET A 120 11.047 18.864 -2.047 1.00 1.52 C ATOM 488 SD MET A 120 10.385 17.212 -1.725 1.00 1.88 S ATOM 489 CE MET A 120 8.640 17.677 -1.641 1.00 1.43 C ATOM 0 H MET A 120 11.563 21.240 -2.215 1.00 0.85 H new ATOM 0 HA MET A 120 13.917 20.333 -0.736 1.00 1.01 H new ATOM 0 HB2 MET A 120 12.406 18.346 -0.447 1.00 1.17 H new ATOM 0 HB3 MET A 120 11.514 19.829 -0.169 1.00 1.17 H new ATOM 0 HG2 MET A 120 10.235 19.590 -2.096 1.00 1.52 H new ATOM 0 HG3 MET A 120 11.551 18.884 -3.013 1.00 1.52 H new ATOM 0 HE1 MET A 120 8.146 17.097 -0.861 1.00 1.43 H new ATOM 0 HE2 MET A 120 8.557 18.739 -1.411 1.00 1.43 H new ATOM 0 HE3 MET A 120 8.163 17.475 -2.600 1.00 1.43 H new ATOM 499 N LEU A 121 13.597 19.317 -3.808 1.00 0.87 N ATOM 500 CA LEU A 121 14.317 18.540 -4.868 1.00 0.95 C ATOM 501 C LEU A 121 15.754 19.058 -5.043 1.00 0.87 C ATOM 502 O LEU A 121 16.635 18.317 -5.431 1.00 0.97 O ATOM 503 CB LEU A 121 13.507 18.763 -6.153 1.00 1.09 C ATOM 504 CG LEU A 121 12.836 17.456 -6.591 1.00 1.41 C ATOM 505 CD1 LEU A 121 13.904 16.409 -6.914 1.00 2.03 C ATOM 506 CD2 LEU A 121 11.939 16.936 -5.466 1.00 1.80 C ATOM 0 H LEU A 121 12.821 19.888 -4.143 1.00 0.87 H new ATOM 0 HA LEU A 121 14.395 17.484 -4.611 1.00 0.95 H new ATOM 0 HB2 LEU A 121 12.751 19.530 -5.986 1.00 1.09 H new ATOM 0 HB3 LEU A 121 14.161 19.127 -6.945 1.00 1.09 H new ATOM 0 HG LEU A 121 12.233 17.644 -7.480 1.00 1.41 H new ATOM 0 HD11 LEU A 121 13.422 15.482 -7.225 1.00 2.03 H new ATOM 0 HD12 LEU A 121 14.540 16.775 -7.720 1.00 2.03 H new ATOM 0 HD13 LEU A 121 14.511 16.223 -6.028 1.00 2.03 H new ATOM 0 HD21 LEU A 121 11.463 16.007 -5.780 1.00 1.80 H new ATOM 0 HD22 LEU A 121 12.541 16.753 -4.576 1.00 1.80 H new ATOM 0 HD23 LEU A 121 11.173 17.677 -5.239 1.00 1.80 H new ATOM 518 N GLN A 122 15.996 20.318 -4.759 1.00 0.82 N ATOM 519 CA GLN A 122 17.380 20.881 -4.907 1.00 0.95 C ATOM 520 C GLN A 122 18.380 20.111 -4.032 1.00 1.04 C ATOM 521 O GLN A 122 19.536 19.971 -4.383 1.00 1.19 O ATOM 522 CB GLN A 122 17.273 22.339 -4.445 1.00 1.14 C ATOM 523 CG GLN A 122 17.113 23.254 -5.665 1.00 1.42 C ATOM 524 CD GLN A 122 16.173 24.410 -5.321 1.00 1.85 C ATOM 525 OE1 GLN A 122 16.584 25.390 -4.735 1.00 2.44 O ATOM 526 NE2 GLN A 122 14.918 24.335 -5.661 1.00 2.28 N ATOM 0 H GLN A 122 15.294 20.982 -4.431 1.00 0.82 H new ATOM 0 HA GLN A 122 17.740 20.802 -5.933 1.00 0.95 H new ATOM 0 HB2 GLN A 122 16.422 22.457 -3.775 1.00 1.14 H new ATOM 0 HB3 GLN A 122 18.163 22.619 -3.882 1.00 1.14 H new ATOM 0 HG2 GLN A 122 18.085 23.641 -5.971 1.00 1.42 H new ATOM 0 HG3 GLN A 122 16.716 22.687 -6.507 1.00 1.42 H new ATOM 0 HE21 GLN A 122 14.571 23.512 -6.154 1.00 2.28 H new ATOM 0 HE22 GLN A 122 14.282 25.099 -5.435 1.00 2.28 H new ATOM 535 N ALA A 123 17.946 19.612 -2.899 1.00 1.09 N ATOM 536 CA ALA A 123 18.876 18.852 -2.002 1.00 1.33 C ATOM 537 C ALA A 123 19.210 17.469 -2.591 1.00 1.38 C ATOM 538 O ALA A 123 20.267 16.924 -2.335 1.00 1.62 O ATOM 539 CB ALA A 123 18.125 18.703 -0.678 1.00 1.45 C ATOM 0 H ALA A 123 16.989 19.698 -2.556 1.00 1.09 H new ATOM 0 HA ALA A 123 19.827 19.371 -1.880 1.00 1.33 H new ATOM 0 HB1 ALA A 123 18.744 18.155 0.032 1.00 1.45 H new ATOM 0 HB2 ALA A 123 17.898 19.690 -0.275 1.00 1.45 H new ATOM 0 HB3 ALA A 123 17.196 18.158 -0.846 1.00 1.45 H new ATOM 545 N THR A 124 18.323 16.898 -3.375 1.00 1.29 N ATOM 546 CA THR A 124 18.603 15.552 -3.975 1.00 1.47 C ATOM 547 C THR A 124 19.026 15.676 -5.453 1.00 1.44 C ATOM 548 O THR A 124 19.481 14.719 -6.049 1.00 1.72 O ATOM 549 CB THR A 124 17.289 14.761 -3.839 1.00 1.56 C ATOM 550 OG1 THR A 124 17.557 13.377 -4.007 1.00 2.16 O ATOM 551 CG2 THR A 124 16.283 15.209 -4.899 1.00 1.92 C ATOM 0 H THR A 124 17.421 17.304 -3.624 1.00 1.29 H new ATOM 0 HA THR A 124 19.428 15.052 -3.468 1.00 1.47 H new ATOM 0 HB THR A 124 16.867 14.945 -2.851 1.00 1.56 H new ATOM 0 HG1 THR A 124 18.173 13.252 -4.759 1.00 2.16 H new ATOM 0 HG21 THR A 124 15.360 14.640 -4.788 1.00 1.92 H new ATOM 0 HG22 THR A 124 16.071 16.271 -4.774 1.00 1.92 H new ATOM 0 HG23 THR A 124 16.699 15.036 -5.892 1.00 1.92 H new ATOM 559 N GLY A 125 18.882 16.840 -6.049 1.00 1.26 N ATOM 560 CA GLY A 125 19.284 17.001 -7.480 1.00 1.32 C ATOM 561 C GLY A 125 18.721 18.307 -8.047 1.00 1.26 C ATOM 562 O GLY A 125 19.351 19.344 -7.972 1.00 1.63 O ATOM 0 H GLY A 125 18.506 17.678 -5.606 1.00 1.26 H new ATOM 0 HA2 GLY A 125 20.371 17.000 -7.562 1.00 1.32 H new ATOM 0 HA3 GLY A 125 18.920 16.156 -8.064 1.00 1.32 H new ATOM 566 N GLU A 126 17.540 18.255 -8.619 1.00 1.02 N ATOM 567 CA GLU A 126 16.910 19.482 -9.211 1.00 1.08 C ATOM 568 C GLU A 126 17.857 20.140 -10.229 1.00 0.89 C ATOM 569 O GLU A 126 18.313 21.254 -10.044 1.00 0.87 O ATOM 570 CB GLU A 126 16.641 20.413 -8.024 1.00 1.34 C ATOM 571 CG GLU A 126 15.220 20.979 -8.121 1.00 1.45 C ATOM 572 CD GLU A 126 15.129 21.957 -9.294 1.00 1.61 C ATOM 573 OE1 GLU A 126 15.373 23.133 -9.079 1.00 2.16 O ATOM 574 OE2 GLU A 126 14.811 21.514 -10.386 1.00 2.09 O ATOM 0 H GLU A 126 16.980 17.407 -8.702 1.00 1.02 H new ATOM 0 HA GLU A 126 15.993 19.250 -9.752 1.00 1.08 H new ATOM 0 HB2 GLU A 126 16.762 19.868 -7.088 1.00 1.34 H new ATOM 0 HB3 GLU A 126 17.367 21.226 -8.016 1.00 1.34 H new ATOM 0 HG2 GLU A 126 14.504 20.168 -8.256 1.00 1.45 H new ATOM 0 HG3 GLU A 126 14.957 21.485 -7.192 1.00 1.45 H new ATOM 581 N THR A 127 18.150 19.452 -11.303 1.00 1.09 N ATOM 582 CA THR A 127 19.064 20.021 -12.346 1.00 1.21 C ATOM 583 C THR A 127 18.489 19.768 -13.753 1.00 1.29 C ATOM 584 O THR A 127 19.168 19.278 -14.637 1.00 1.60 O ATOM 585 CB THR A 127 20.405 19.291 -12.139 1.00 1.57 C ATOM 586 OG1 THR A 127 21.359 19.763 -13.082 1.00 1.91 O ATOM 587 CG2 THR A 127 20.220 17.778 -12.304 1.00 2.18 C ATOM 0 H THR A 127 17.796 18.517 -11.505 1.00 1.09 H new ATOM 0 HA THR A 127 19.183 21.101 -12.258 1.00 1.21 H new ATOM 0 HB THR A 127 20.762 19.493 -11.129 1.00 1.57 H new ATOM 0 HG1 THR A 127 20.964 19.756 -13.979 1.00 1.91 H new ATOM 0 HG21 THR A 127 21.176 17.276 -12.155 1.00 2.18 H new ATOM 0 HG22 THR A 127 19.502 17.417 -11.568 1.00 2.18 H new ATOM 0 HG23 THR A 127 19.850 17.564 -13.307 1.00 2.18 H new ATOM 595 N ILE A 128 17.238 20.109 -13.964 1.00 1.08 N ATOM 596 CA ILE A 128 16.605 19.898 -15.311 1.00 1.20 C ATOM 597 C ILE A 128 15.624 21.036 -15.636 1.00 1.18 C ATOM 598 O ILE A 128 15.424 21.944 -14.851 1.00 1.15 O ATOM 599 CB ILE A 128 15.851 18.550 -15.254 1.00 1.12 C ATOM 600 CG1 ILE A 128 15.489 18.166 -13.798 1.00 1.32 C ATOM 601 CG2 ILE A 128 16.717 17.459 -15.895 1.00 1.62 C ATOM 602 CD1 ILE A 128 16.506 17.166 -13.233 1.00 2.03 C ATOM 0 H ILE A 128 16.626 20.525 -13.262 1.00 1.08 H new ATOM 0 HA ILE A 128 17.367 19.889 -16.091 1.00 1.20 H new ATOM 0 HB ILE A 128 14.917 18.650 -15.807 1.00 1.12 H new ATOM 0 HG12 ILE A 128 15.466 19.060 -13.175 1.00 1.32 H new ATOM 0 HG13 ILE A 128 14.490 17.732 -13.769 1.00 1.32 H new ATOM 0 HG21 ILE A 128 16.189 16.506 -15.857 1.00 1.62 H new ATOM 0 HG22 ILE A 128 16.921 17.720 -16.934 1.00 1.62 H new ATOM 0 HG23 ILE A 128 17.658 17.374 -15.351 1.00 1.62 H new ATOM 0 HD11 ILE A 128 16.234 16.909 -12.209 1.00 2.03 H new ATOM 0 HD12 ILE A 128 16.508 16.264 -13.845 1.00 2.03 H new ATOM 0 HD13 ILE A 128 17.500 17.613 -13.243 1.00 2.03 H new ATOM 614 N THR A 129 15.008 20.984 -16.795 1.00 1.34 N ATOM 615 CA THR A 129 14.032 22.051 -17.192 1.00 1.42 C ATOM 616 C THR A 129 12.764 21.959 -16.330 1.00 1.16 C ATOM 617 O THR A 129 12.525 20.966 -15.669 1.00 0.97 O ATOM 618 CB THR A 129 13.705 21.765 -18.667 1.00 1.64 C ATOM 619 OG1 THR A 129 14.914 21.667 -19.412 1.00 2.23 O ATOM 620 CG2 THR A 129 12.849 22.896 -19.242 1.00 2.28 C ATOM 0 H THR A 129 15.140 20.245 -17.486 1.00 1.34 H new ATOM 0 HA THR A 129 14.437 23.053 -17.052 1.00 1.42 H new ATOM 0 HB THR A 129 13.154 20.827 -18.733 1.00 1.64 H new ATOM 0 HG1 THR A 129 14.705 21.483 -20.352 1.00 2.23 H new ATOM 0 HG21 THR A 129 12.622 22.685 -20.287 1.00 2.28 H new ATOM 0 HG22 THR A 129 11.920 22.972 -18.677 1.00 2.28 H new ATOM 0 HG23 THR A 129 13.395 23.837 -19.172 1.00 2.28 H new ATOM 628 N GLU A 130 11.954 22.991 -16.333 1.00 1.31 N ATOM 629 CA GLU A 130 10.698 22.976 -15.511 1.00 1.28 C ATOM 630 C GLU A 130 9.808 21.768 -15.867 1.00 1.16 C ATOM 631 O GLU A 130 9.045 21.299 -15.044 1.00 1.21 O ATOM 632 CB GLU A 130 9.986 24.300 -15.824 1.00 1.69 C ATOM 633 CG GLU A 130 9.613 24.376 -17.311 1.00 2.05 C ATOM 634 CD GLU A 130 10.283 25.596 -17.947 1.00 2.43 C ATOM 635 OE1 GLU A 130 11.467 25.515 -18.230 1.00 3.03 O ATOM 636 OE2 GLU A 130 9.602 26.588 -18.139 1.00 2.70 O ATOM 0 H GLU A 130 12.107 23.845 -16.869 1.00 1.31 H new ATOM 0 HA GLU A 130 10.919 22.880 -14.448 1.00 1.28 H new ATOM 0 HB2 GLU A 130 9.087 24.389 -15.213 1.00 1.69 H new ATOM 0 HB3 GLU A 130 10.633 25.137 -15.563 1.00 1.69 H new ATOM 0 HG2 GLU A 130 9.929 23.467 -17.822 1.00 2.05 H new ATOM 0 HG3 GLU A 130 8.531 24.444 -17.422 1.00 2.05 H new ATOM 643 N ASP A 131 9.905 21.254 -17.075 1.00 1.18 N ATOM 644 CA ASP A 131 9.068 20.072 -17.467 1.00 1.19 C ATOM 645 C ASP A 131 9.310 18.898 -16.504 1.00 1.07 C ATOM 646 O ASP A 131 8.383 18.220 -16.099 1.00 1.14 O ATOM 647 CB ASP A 131 9.522 19.705 -18.884 1.00 1.44 C ATOM 648 CG ASP A 131 8.684 20.471 -19.907 1.00 1.48 C ATOM 649 OD1 ASP A 131 7.630 19.977 -20.270 1.00 2.07 O ATOM 650 OD2 ASP A 131 9.110 21.540 -20.308 1.00 1.91 O ATOM 0 H ASP A 131 10.527 21.603 -17.804 1.00 1.18 H new ATOM 0 HA ASP A 131 8.003 20.299 -17.428 1.00 1.19 H new ATOM 0 HB2 ASP A 131 10.578 19.944 -19.012 1.00 1.44 H new ATOM 0 HB3 ASP A 131 9.417 18.632 -19.044 1.00 1.44 H new ATOM 655 N ASP A 132 10.547 18.667 -16.127 1.00 1.00 N ATOM 656 CA ASP A 132 10.860 17.549 -15.179 1.00 1.03 C ATOM 657 C ASP A 132 10.124 17.761 -13.847 1.00 0.88 C ATOM 658 O ASP A 132 9.708 16.816 -13.203 1.00 1.03 O ATOM 659 CB ASP A 132 12.378 17.608 -14.978 1.00 1.13 C ATOM 660 CG ASP A 132 12.957 16.195 -15.045 1.00 1.39 C ATOM 661 OD1 ASP A 132 13.175 15.717 -16.145 1.00 1.99 O ATOM 662 OD2 ASP A 132 13.173 15.616 -13.995 1.00 1.79 O ATOM 0 H ASP A 132 11.355 19.207 -16.436 1.00 1.00 H new ATOM 0 HA ASP A 132 10.542 16.580 -15.563 1.00 1.03 H new ATOM 0 HB2 ASP A 132 12.833 18.235 -15.745 1.00 1.13 H new ATOM 0 HB3 ASP A 132 12.611 18.062 -14.015 1.00 1.13 H new ATOM 667 N ILE A 133 9.943 18.995 -13.442 1.00 0.75 N ATOM 668 CA ILE A 133 9.209 19.273 -12.166 1.00 0.77 C ATOM 669 C ILE A 133 7.744 18.867 -12.329 1.00 0.70 C ATOM 670 O ILE A 133 7.138 18.306 -11.434 1.00 0.82 O ATOM 671 CB ILE A 133 9.308 20.790 -11.943 1.00 0.87 C ATOM 672 CG1 ILE A 133 10.777 21.243 -11.994 1.00 0.96 C ATOM 673 CG2 ILE A 133 8.708 21.145 -10.577 1.00 1.06 C ATOM 674 CD1 ILE A 133 11.613 20.451 -10.981 1.00 1.00 C ATOM 0 H ILE A 133 10.272 19.822 -13.940 1.00 0.75 H new ATOM 0 HA ILE A 133 9.626 18.719 -11.325 1.00 0.77 H new ATOM 0 HB ILE A 133 8.755 21.301 -12.732 1.00 0.87 H new ATOM 0 HG12 ILE A 133 11.175 21.097 -12.998 1.00 0.96 H new ATOM 0 HG13 ILE A 133 10.844 22.309 -11.777 1.00 0.96 H new ATOM 0 HG21 ILE A 133 8.778 22.221 -10.418 1.00 1.06 H new ATOM 0 HG22 ILE A 133 7.662 20.841 -10.549 1.00 1.06 H new ATOM 0 HG23 ILE A 133 9.258 20.626 -9.792 1.00 1.06 H new ATOM 0 HD11 ILE A 133 12.651 20.782 -11.028 1.00 1.00 H new ATOM 0 HD12 ILE A 133 11.223 20.619 -9.977 1.00 1.00 H new ATOM 0 HD13 ILE A 133 11.560 19.388 -11.217 1.00 1.00 H new ATOM 686 N GLU A 134 7.179 19.151 -13.475 1.00 0.61 N ATOM 687 CA GLU A 134 5.754 18.794 -13.734 1.00 0.64 C ATOM 688 C GLU A 134 5.576 17.272 -13.847 1.00 0.64 C ATOM 689 O GLU A 134 4.485 16.766 -13.682 1.00 0.76 O ATOM 690 CB GLU A 134 5.414 19.475 -15.062 1.00 0.73 C ATOM 691 CG GLU A 134 4.635 20.762 -14.785 1.00 0.89 C ATOM 692 CD GLU A 134 3.180 20.417 -14.453 1.00 1.21 C ATOM 693 OE1 GLU A 134 2.515 19.848 -15.305 1.00 1.86 O ATOM 694 OE2 GLU A 134 2.757 20.725 -13.353 1.00 1.87 O ATOM 0 H GLU A 134 7.650 19.620 -14.249 1.00 0.61 H new ATOM 0 HA GLU A 134 5.102 19.118 -12.923 1.00 0.64 H new ATOM 0 HB2 GLU A 134 6.327 19.700 -15.613 1.00 0.73 H new ATOM 0 HB3 GLU A 134 4.822 18.805 -15.686 1.00 0.73 H new ATOM 0 HG2 GLU A 134 5.090 21.304 -13.956 1.00 0.89 H new ATOM 0 HG3 GLU A 134 4.675 21.418 -15.654 1.00 0.89 H new ATOM 701 N GLU A 135 6.629 16.536 -14.128 1.00 0.59 N ATOM 702 CA GLU A 135 6.496 15.046 -14.244 1.00 0.67 C ATOM 703 C GLU A 135 5.907 14.471 -12.950 1.00 0.74 C ATOM 704 O GLU A 135 4.975 13.690 -12.977 1.00 0.91 O ATOM 705 CB GLU A 135 7.919 14.526 -14.477 1.00 0.72 C ATOM 706 CG GLU A 135 7.972 13.769 -15.807 1.00 1.16 C ATOM 707 CD GLU A 135 7.809 14.755 -16.967 1.00 1.56 C ATOM 708 OE1 GLU A 135 8.767 15.447 -17.270 1.00 2.03 O ATOM 709 OE2 GLU A 135 6.728 14.803 -17.530 1.00 2.29 O ATOM 0 H GLU A 135 7.569 16.901 -14.281 1.00 0.59 H new ATOM 0 HA GLU A 135 5.829 14.752 -15.054 1.00 0.67 H new ATOM 0 HB2 GLU A 135 8.624 15.357 -14.491 1.00 0.72 H new ATOM 0 HB3 GLU A 135 8.216 13.869 -13.660 1.00 0.72 H new ATOM 0 HG2 GLU A 135 8.920 13.239 -15.898 1.00 1.16 H new ATOM 0 HG3 GLU A 135 7.183 13.018 -15.841 1.00 1.16 H new ATOM 716 N LEU A 136 6.430 14.873 -11.819 1.00 0.73 N ATOM 717 CA LEU A 136 5.885 14.375 -10.519 1.00 0.87 C ATOM 718 C LEU A 136 4.602 15.148 -10.171 1.00 0.81 C ATOM 719 O LEU A 136 3.702 14.620 -9.548 1.00 1.00 O ATOM 720 CB LEU A 136 6.985 14.641 -9.476 1.00 0.99 C ATOM 721 CG LEU A 136 8.301 13.934 -9.860 1.00 1.09 C ATOM 722 CD1 LEU A 136 9.093 13.600 -8.592 1.00 1.74 C ATOM 723 CD2 LEU A 136 8.016 12.631 -10.615 1.00 1.75 C ATOM 0 H LEU A 136 7.211 15.524 -11.740 1.00 0.73 H new ATOM 0 HA LEU A 136 5.628 13.316 -10.555 1.00 0.87 H new ATOM 0 HB2 LEU A 136 7.157 15.714 -9.391 1.00 0.99 H new ATOM 0 HB3 LEU A 136 6.654 14.293 -8.498 1.00 0.99 H new ATOM 0 HG LEU A 136 8.874 14.604 -10.501 1.00 1.09 H new ATOM 0 HD11 LEU A 136 10.023 13.100 -8.865 1.00 1.74 H new ATOM 0 HD12 LEU A 136 9.320 14.519 -8.052 1.00 1.74 H new ATOM 0 HD13 LEU A 136 8.501 12.942 -7.956 1.00 1.74 H new ATOM 0 HD21 LEU A 136 8.958 12.148 -10.876 1.00 1.75 H new ATOM 0 HD22 LEU A 136 7.430 11.964 -9.982 1.00 1.75 H new ATOM 0 HD23 LEU A 136 7.457 12.852 -11.524 1.00 1.75 H new ATOM 735 N MET A 137 4.512 16.398 -10.579 1.00 0.67 N ATOM 736 CA MET A 137 3.288 17.213 -10.286 1.00 0.71 C ATOM 737 C MET A 137 2.076 16.692 -11.082 1.00 0.68 C ATOM 738 O MET A 137 0.957 16.782 -10.627 1.00 0.70 O ATOM 739 CB MET A 137 3.640 18.641 -10.716 1.00 0.82 C ATOM 740 CG MET A 137 2.492 19.586 -10.349 1.00 0.99 C ATOM 741 SD MET A 137 2.703 20.148 -8.643 1.00 0.94 S ATOM 742 CE MET A 137 1.037 20.814 -8.410 1.00 0.53 C ATOM 0 H MET A 137 5.237 16.887 -11.103 1.00 0.67 H new ATOM 0 HA MET A 137 3.013 17.160 -9.233 1.00 0.71 H new ATOM 0 HB2 MET A 137 4.560 18.963 -10.227 1.00 0.82 H new ATOM 0 HB3 MET A 137 3.822 18.674 -11.790 1.00 0.82 H new ATOM 0 HG2 MET A 137 2.478 20.440 -11.026 1.00 0.99 H new ATOM 0 HG3 MET A 137 1.536 19.075 -10.460 1.00 0.99 H new ATOM 0 HE1 MET A 137 1.011 21.420 -7.504 1.00 0.53 H new ATOM 0 HE2 MET A 137 0.769 21.431 -9.267 1.00 0.53 H new ATOM 0 HE3 MET A 137 0.326 19.993 -8.318 1.00 0.53 H new ATOM 752 N LYS A 138 2.286 16.150 -12.259 1.00 0.76 N ATOM 753 CA LYS A 138 1.130 15.625 -13.061 1.00 0.82 C ATOM 754 C LYS A 138 0.413 14.514 -12.285 1.00 0.72 C ATOM 755 O LYS A 138 -0.775 14.586 -12.049 1.00 0.84 O ATOM 756 CB LYS A 138 1.739 15.068 -14.347 1.00 0.99 C ATOM 757 CG LYS A 138 1.918 16.201 -15.361 1.00 1.57 C ATOM 758 CD LYS A 138 2.698 15.689 -16.576 1.00 2.09 C ATOM 759 CE LYS A 138 3.286 16.878 -17.346 1.00 2.74 C ATOM 760 NZ LYS A 138 4.754 16.820 -17.095 1.00 3.43 N1+ ATOM 0 H LYS A 138 3.201 16.048 -12.698 1.00 0.76 H new ATOM 0 HA LYS A 138 0.394 16.402 -13.270 1.00 0.82 H new ATOM 0 HB2 LYS A 138 2.701 14.601 -14.134 1.00 0.99 H new ATOM 0 HB3 LYS A 138 1.094 14.293 -14.762 1.00 0.99 H new ATOM 0 HG2 LYS A 138 0.945 16.578 -15.674 1.00 1.57 H new ATOM 0 HG3 LYS A 138 2.449 17.034 -14.900 1.00 1.57 H new ATOM 0 HD2 LYS A 138 3.496 15.021 -16.253 1.00 2.09 H new ATOM 0 HD3 LYS A 138 2.041 15.111 -17.226 1.00 2.09 H new ATOM 0 HE2 LYS A 138 3.066 16.805 -18.411 1.00 2.74 H new ATOM 0 HE3 LYS A 138 2.864 17.820 -16.997 1.00 2.74 H new ATOM 0 HZ1 LYS A 138 5.181 17.741 -17.320 1.00 3.43 H new ATOM 0 HZ2 LYS A 138 4.926 16.593 -16.095 1.00 3.43 H new ATOM 0 HZ3 LYS A 138 5.180 16.085 -17.695 1.00 3.43 H new ATOM 774 N ASP A 139 1.130 13.495 -11.875 1.00 0.75 N ATOM 775 CA ASP A 139 0.482 12.393 -11.098 1.00 0.78 C ATOM 776 C ASP A 139 0.233 12.863 -9.659 1.00 0.70 C ATOM 777 O ASP A 139 -0.789 12.563 -9.071 1.00 0.81 O ATOM 778 CB ASP A 139 1.468 11.221 -11.134 1.00 0.97 C ATOM 779 CG ASP A 139 0.739 9.930 -10.753 1.00 1.16 C ATOM 780 OD1 ASP A 139 0.549 9.706 -9.569 1.00 1.66 O ATOM 781 OD2 ASP A 139 0.372 9.193 -11.651 1.00 1.69 O ATOM 0 H ASP A 139 2.129 13.379 -12.044 1.00 0.75 H new ATOM 0 HA ASP A 139 -0.482 12.100 -11.514 1.00 0.78 H new ATOM 0 HB2 ASP A 139 1.901 11.127 -12.130 1.00 0.97 H new ATOM 0 HB3 ASP A 139 2.292 11.403 -10.444 1.00 0.97 H new ATOM 786 N GLY A 140 1.152 13.621 -9.102 1.00 0.64 N ATOM 787 CA GLY A 140 0.968 14.142 -7.714 1.00 0.62 C ATOM 788 C GLY A 140 -0.260 15.054 -7.684 1.00 0.57 C ATOM 789 O GLY A 140 -0.986 15.096 -6.712 1.00 0.65 O ATOM 0 H GLY A 140 2.023 13.900 -9.554 1.00 0.64 H new ATOM 0 HA2 GLY A 140 0.840 13.315 -7.015 1.00 0.62 H new ATOM 0 HA3 GLY A 140 1.854 14.693 -7.398 1.00 0.62 H new ATOM 793 N ASP A 141 -0.496 15.773 -8.754 1.00 0.56 N ATOM 794 CA ASP A 141 -1.676 16.677 -8.823 1.00 0.56 C ATOM 795 C ASP A 141 -2.350 16.558 -10.196 1.00 0.58 C ATOM 796 O ASP A 141 -2.266 17.449 -11.022 1.00 0.64 O ATOM 797 CB ASP A 141 -1.118 18.092 -8.617 1.00 0.60 C ATOM 798 CG ASP A 141 -2.244 19.045 -8.197 1.00 0.75 C ATOM 799 OD1 ASP A 141 -3.320 18.960 -8.765 1.00 1.23 O ATOM 800 OD2 ASP A 141 -2.012 19.844 -7.310 1.00 1.14 O ATOM 0 H ASP A 141 0.088 15.769 -9.590 1.00 0.56 H new ATOM 0 HA ASP A 141 -2.428 16.429 -8.074 1.00 0.56 H new ATOM 0 HB2 ASP A 141 -0.340 18.077 -7.854 1.00 0.60 H new ATOM 0 HB3 ASP A 141 -0.655 18.447 -9.538 1.00 0.60 H new ATOM 805 N LYS A 142 -3.039 15.470 -10.441 1.00 0.62 N ATOM 806 CA LYS A 142 -3.742 15.312 -11.754 1.00 0.70 C ATOM 807 C LYS A 142 -4.852 16.374 -11.876 1.00 0.79 C ATOM 808 O LYS A 142 -5.363 16.629 -12.950 1.00 0.92 O ATOM 809 CB LYS A 142 -4.318 13.894 -11.738 1.00 0.79 C ATOM 810 CG LYS A 142 -3.196 12.889 -12.022 1.00 0.88 C ATOM 811 CD LYS A 142 -3.732 11.463 -11.851 1.00 1.37 C ATOM 812 CE LYS A 142 -2.575 10.508 -11.535 1.00 1.79 C ATOM 813 NZ LYS A 142 -2.417 10.559 -10.054 1.00 2.44 N1+ ATOM 0 H LYS A 142 -3.145 14.689 -9.794 1.00 0.62 H new ATOM 0 HA LYS A 142 -3.079 15.451 -12.608 1.00 0.70 H new ATOM 0 HB2 LYS A 142 -4.773 13.685 -10.770 1.00 0.79 H new ATOM 0 HB3 LYS A 142 -5.104 13.800 -12.487 1.00 0.79 H new ATOM 0 HG2 LYS A 142 -2.817 13.027 -13.035 1.00 0.88 H new ATOM 0 HG3 LYS A 142 -2.361 13.059 -11.343 1.00 0.88 H new ATOM 0 HD2 LYS A 142 -4.468 11.435 -11.048 1.00 1.37 H new ATOM 0 HD3 LYS A 142 -4.241 11.144 -12.761 1.00 1.37 H new ATOM 0 HE2 LYS A 142 -2.797 9.496 -11.872 1.00 1.79 H new ATOM 0 HE3 LYS A 142 -1.660 10.818 -12.039 1.00 1.79 H new ATOM 0 HZ1 LYS A 142 -1.725 9.843 -9.754 1.00 2.44 H new ATOM 0 HZ2 LYS A 142 -2.083 11.503 -9.773 1.00 2.44 H new ATOM 0 HZ3 LYS A 142 -3.333 10.366 -9.600 1.00 2.44 H new ATOM 827 N ASN A 143 -5.197 17.014 -10.778 1.00 0.80 N ATOM 828 CA ASN A 143 -6.235 18.089 -10.804 1.00 0.95 C ATOM 829 C ASN A 143 -5.646 19.381 -11.413 1.00 0.92 C ATOM 830 O ASN A 143 -6.365 20.324 -11.678 1.00 1.08 O ATOM 831 CB ASN A 143 -6.596 18.292 -9.327 1.00 1.07 C ATOM 832 CG ASN A 143 -7.696 19.345 -9.179 1.00 1.36 C ATOM 833 OD1 ASN A 143 -8.608 19.412 -9.978 1.00 1.95 O ATOM 834 ND2 ASN A 143 -7.649 20.173 -8.173 1.00 1.70 N ATOM 0 H ASN A 143 -4.796 16.832 -9.858 1.00 0.80 H new ATOM 0 HA ASN A 143 -7.104 17.831 -11.410 1.00 0.95 H new ATOM 0 HB2 ASN A 143 -6.929 17.348 -8.896 1.00 1.07 H new ATOM 0 HB3 ASN A 143 -5.712 18.602 -8.771 1.00 1.07 H new ATOM 0 HD21 ASN A 143 -8.378 20.877 -8.057 1.00 1.70 H new ATOM 0 HD22 ASN A 143 -6.883 20.117 -7.502 1.00 1.70 H new ATOM 841 N ASN A 144 -4.339 19.411 -11.636 1.00 0.86 N ATOM 842 CA ASN A 144 -3.647 20.608 -12.235 1.00 0.93 C ATOM 843 C ASN A 144 -4.265 21.941 -11.778 1.00 1.03 C ATOM 844 O ASN A 144 -4.527 22.825 -12.574 1.00 1.71 O ATOM 845 CB ASN A 144 -3.749 20.430 -13.762 1.00 1.08 C ATOM 846 CG ASN A 144 -5.212 20.332 -14.208 1.00 1.49 C ATOM 847 OD1 ASN A 144 -5.851 21.332 -14.461 1.00 2.18 O ATOM 848 ND2 ASN A 144 -5.771 19.160 -14.325 1.00 1.97 N ATOM 0 H ASN A 144 -3.713 18.635 -11.421 1.00 0.86 H new ATOM 0 HA ASN A 144 -2.610 20.657 -11.903 1.00 0.93 H new ATOM 0 HB2 ASN A 144 -3.268 21.271 -14.262 1.00 1.08 H new ATOM 0 HB3 ASN A 144 -3.212 19.530 -14.063 1.00 1.08 H new ATOM 0 HD21 ASN A 144 -6.742 19.086 -14.628 1.00 1.97 H new ATOM 0 HD22 ASN A 144 -5.237 18.317 -14.113 1.00 1.97 H new ATOM 855 N ASP A 145 -4.465 22.100 -10.495 1.00 0.88 N ATOM 856 CA ASP A 145 -5.033 23.381 -9.973 1.00 0.92 C ATOM 857 C ASP A 145 -3.906 24.278 -9.424 1.00 0.91 C ATOM 858 O ASP A 145 -4.093 25.463 -9.222 1.00 1.07 O ATOM 859 CB ASP A 145 -6.013 22.970 -8.866 1.00 0.93 C ATOM 860 CG ASP A 145 -5.256 22.351 -7.689 1.00 1.40 C ATOM 861 OD1 ASP A 145 -4.925 21.183 -7.776 1.00 2.06 O ATOM 862 OD2 ASP A 145 -5.026 23.053 -6.722 1.00 1.89 O ATOM 0 H ASP A 145 -4.259 21.397 -9.785 1.00 0.88 H new ATOM 0 HA ASP A 145 -5.536 23.959 -10.749 1.00 0.92 H new ATOM 0 HB2 ASP A 145 -6.576 23.840 -8.528 1.00 0.93 H new ATOM 0 HB3 ASP A 145 -6.736 22.255 -9.258 1.00 0.93 H new ATOM 867 N GLY A 146 -2.733 23.724 -9.199 1.00 0.84 N ATOM 868 CA GLY A 146 -1.592 24.543 -8.684 1.00 0.92 C ATOM 869 C GLY A 146 -1.224 24.135 -7.251 1.00 0.66 C ATOM 870 O GLY A 146 -0.081 24.250 -6.851 1.00 0.74 O ATOM 0 H GLY A 146 -2.521 22.738 -9.351 1.00 0.84 H new ATOM 0 HA2 GLY A 146 -0.727 24.418 -9.335 1.00 0.92 H new ATOM 0 HA3 GLY A 146 -1.858 25.600 -8.708 1.00 0.92 H new ATOM 874 N ARG A 147 -2.168 23.659 -6.475 1.00 0.56 N ATOM 875 CA ARG A 147 -1.846 23.255 -5.070 1.00 0.54 C ATOM 876 C ARG A 147 -2.088 21.755 -4.867 1.00 0.46 C ATOM 877 O ARG A 147 -3.147 21.236 -5.172 1.00 0.45 O ATOM 878 CB ARG A 147 -2.798 24.075 -4.198 1.00 0.77 C ATOM 879 CG ARG A 147 -2.159 25.429 -3.875 1.00 1.39 C ATOM 880 CD ARG A 147 -1.261 25.294 -2.643 1.00 1.79 C ATOM 881 NE ARG A 147 -1.598 26.473 -1.791 1.00 2.55 N ATOM 882 CZ ARG A 147 -0.669 27.317 -1.430 1.00 2.87 C ATOM 883 NH1 ARG A 147 0.170 27.784 -2.313 1.00 3.37 N1+ ATOM 884 NH2 ARG A 147 -0.584 27.693 -0.185 1.00 3.10 N ATOM 0 H ARG A 147 -3.142 23.533 -6.751 1.00 0.56 H new ATOM 0 HA ARG A 147 -0.800 23.436 -4.822 1.00 0.54 H new ATOM 0 HB2 ARG A 147 -3.746 24.223 -4.716 1.00 0.77 H new ATOM 0 HB3 ARG A 147 -3.019 23.536 -3.276 1.00 0.77 H new ATOM 0 HG2 ARG A 147 -1.575 25.779 -4.726 1.00 1.39 H new ATOM 0 HG3 ARG A 147 -2.934 26.174 -3.693 1.00 1.39 H new ATOM 0 HD2 ARG A 147 -1.451 24.359 -2.116 1.00 1.79 H new ATOM 0 HD3 ARG A 147 -0.207 25.295 -2.920 1.00 1.79 H new ATOM 0 HE ARG A 147 -2.561 26.620 -1.489 1.00 2.55 H new ATOM 0 HH11 ARG A 147 0.101 27.490 -3.287 1.00 3.37 H new ATOM 0 HH12 ARG A 147 0.895 28.443 -2.029 1.00 3.37 H new ATOM 0 HH21 ARG A 147 -1.242 27.328 0.504 1.00 3.10 H new ATOM 0 HH22 ARG A 147 0.140 28.352 0.100 1.00 3.10 H new ATOM 898 N ILE A 148 -1.111 21.058 -4.344 1.00 0.49 N ATOM 899 CA ILE A 148 -1.266 19.588 -4.108 1.00 0.44 C ATOM 900 C ILE A 148 -1.956 19.342 -2.757 1.00 0.46 C ATOM 901 O ILE A 148 -1.673 20.004 -1.775 1.00 0.63 O ATOM 902 CB ILE A 148 0.165 19.027 -4.120 1.00 0.46 C ATOM 903 CG1 ILE A 148 0.853 19.404 -5.443 1.00 0.56 C ATOM 904 CG2 ILE A 148 0.130 17.501 -3.983 1.00 0.47 C ATOM 905 CD1 ILE A 148 2.027 18.457 -5.716 1.00 0.63 C ATOM 0 H ILE A 148 -0.208 21.445 -4.069 1.00 0.49 H new ATOM 0 HA ILE A 148 -1.886 19.104 -4.863 1.00 0.44 H new ATOM 0 HB ILE A 148 0.721 19.450 -3.283 1.00 0.46 H new ATOM 0 HG12 ILE A 148 0.136 19.352 -6.262 1.00 0.56 H new ATOM 0 HG13 ILE A 148 1.209 20.433 -5.396 1.00 0.56 H new ATOM 0 HG21 ILE A 148 1.148 17.111 -3.992 1.00 0.47 H new ATOM 0 HG22 ILE A 148 -0.353 17.231 -3.044 1.00 0.47 H new ATOM 0 HG23 ILE A 148 -0.430 17.074 -4.815 1.00 0.47 H new ATOM 0 HD11 ILE A 148 2.507 18.733 -6.655 1.00 0.63 H new ATOM 0 HD12 ILE A 148 2.750 18.531 -4.904 1.00 0.63 H new ATOM 0 HD13 ILE A 148 1.660 17.433 -5.784 1.00 0.63 H new ATOM 917 N ASP A 149 -2.869 18.401 -2.709 1.00 0.48 N ATOM 918 CA ASP A 149 -3.599 18.112 -1.434 1.00 0.53 C ATOM 919 C ASP A 149 -3.180 16.750 -0.860 1.00 0.53 C ATOM 920 O ASP A 149 -2.713 15.879 -1.573 1.00 0.63 O ATOM 921 CB ASP A 149 -5.081 18.104 -1.824 1.00 0.58 C ATOM 922 CG ASP A 149 -5.462 19.458 -2.429 1.00 1.05 C ATOM 923 OD1 ASP A 149 -5.703 20.379 -1.668 1.00 1.65 O ATOM 924 OD2 ASP A 149 -5.502 19.550 -3.646 1.00 1.84 O ATOM 0 H ASP A 149 -3.141 17.819 -3.501 1.00 0.48 H new ATOM 0 HA ASP A 149 -3.381 18.849 -0.661 1.00 0.53 H new ATOM 0 HB2 ASP A 149 -5.274 17.307 -2.542 1.00 0.58 H new ATOM 0 HB3 ASP A 149 -5.697 17.900 -0.948 1.00 0.58 H new ATOM 929 N TYR A 150 -3.339 16.574 0.431 1.00 0.58 N ATOM 930 CA TYR A 150 -2.948 15.284 1.097 1.00 0.60 C ATOM 931 C TYR A 150 -3.555 14.070 0.374 1.00 0.59 C ATOM 932 O TYR A 150 -2.899 13.063 0.194 1.00 0.63 O ATOM 933 CB TYR A 150 -3.510 15.389 2.519 1.00 0.73 C ATOM 934 CG TYR A 150 -2.466 14.951 3.524 1.00 0.72 C ATOM 935 CD1 TYR A 150 -2.294 13.591 3.813 1.00 1.22 C ATOM 936 CD2 TYR A 150 -1.681 15.907 4.181 1.00 1.15 C ATOM 937 CE1 TYR A 150 -1.342 13.189 4.758 1.00 1.56 C ATOM 938 CE2 TYR A 150 -0.726 15.504 5.121 1.00 1.43 C ATOM 939 CZ TYR A 150 -0.558 14.146 5.410 1.00 1.48 C ATOM 940 OH TYR A 150 0.381 13.751 6.341 1.00 1.96 O ATOM 0 H TYR A 150 -3.727 17.276 1.061 1.00 0.58 H new ATOM 0 HA TYR A 150 -1.868 15.139 1.081 1.00 0.60 H new ATOM 0 HB2 TYR A 150 -3.815 16.415 2.723 1.00 0.73 H new ATOM 0 HB3 TYR A 150 -4.400 14.767 2.613 1.00 0.73 H new ATOM 0 HD1 TYR A 150 -2.896 12.852 3.306 1.00 1.22 H new ATOM 0 HD2 TYR A 150 -1.813 16.956 3.962 1.00 1.15 H new ATOM 0 HE1 TYR A 150 -1.213 12.141 4.983 1.00 1.56 H new ATOM 0 HE2 TYR A 150 -0.118 16.242 5.624 1.00 1.43 H new ATOM 0 HH TYR A 150 0.839 14.540 6.698 1.00 1.96 H new ATOM 950 N ASP A 151 -4.799 14.158 -0.032 1.00 0.64 N ATOM 951 CA ASP A 151 -5.445 13.006 -0.740 1.00 0.70 C ATOM 952 C ASP A 151 -4.666 12.660 -2.017 1.00 0.63 C ATOM 953 O ASP A 151 -4.272 11.525 -2.222 1.00 0.77 O ATOM 954 CB ASP A 151 -6.860 13.486 -1.076 1.00 0.79 C ATOM 955 CG ASP A 151 -7.698 13.537 0.203 1.00 1.24 C ATOM 956 OD1 ASP A 151 -8.143 12.488 0.637 1.00 1.83 O ATOM 957 OD2 ASP A 151 -7.879 14.624 0.726 1.00 1.90 O ATOM 0 H ASP A 151 -5.395 14.976 0.096 1.00 0.64 H new ATOM 0 HA ASP A 151 -5.460 12.103 -0.130 1.00 0.70 H new ATOM 0 HB2 ASP A 151 -6.821 14.473 -1.538 1.00 0.79 H new ATOM 0 HB3 ASP A 151 -7.321 12.814 -1.799 1.00 0.79 H new ATOM 962 N GLU A 152 -4.426 13.632 -2.866 1.00 0.54 N ATOM 963 CA GLU A 152 -3.655 13.365 -4.123 1.00 0.56 C ATOM 964 C GLU A 152 -2.216 12.934 -3.782 1.00 0.52 C ATOM 965 O GLU A 152 -1.601 12.171 -4.505 1.00 0.65 O ATOM 966 CB GLU A 152 -3.658 14.695 -4.888 1.00 0.60 C ATOM 967 CG GLU A 152 -4.878 14.755 -5.817 1.00 0.77 C ATOM 968 CD GLU A 152 -5.189 16.211 -6.174 1.00 0.72 C ATOM 969 OE1 GLU A 152 -5.733 16.905 -5.331 1.00 1.40 O ATOM 970 OE2 GLU A 152 -4.876 16.613 -7.282 1.00 1.17 O ATOM 0 H GLU A 152 -4.730 14.598 -2.743 1.00 0.54 H new ATOM 0 HA GLU A 152 -4.094 12.561 -4.713 1.00 0.56 H new ATOM 0 HB2 GLU A 152 -3.682 15.529 -4.187 1.00 0.60 H new ATOM 0 HB3 GLU A 152 -2.741 14.793 -5.469 1.00 0.60 H new ATOM 0 HG2 GLU A 152 -4.684 14.182 -6.724 1.00 0.77 H new ATOM 0 HG3 GLU A 152 -5.740 14.299 -5.330 1.00 0.77 H new ATOM 977 N PHE A 153 -1.683 13.411 -2.678 1.00 0.46 N ATOM 978 CA PHE A 153 -0.292 13.030 -2.270 1.00 0.46 C ATOM 979 C PHE A 153 -0.200 11.511 -2.028 1.00 0.50 C ATOM 980 O PHE A 153 0.772 10.877 -2.394 1.00 0.64 O ATOM 981 CB PHE A 153 -0.033 13.815 -0.974 1.00 0.49 C ATOM 982 CG PHE A 153 1.380 13.586 -0.493 1.00 0.48 C ATOM 983 CD1 PHE A 153 1.665 12.521 0.372 1.00 0.62 C ATOM 984 CD2 PHE A 153 2.403 14.446 -0.901 1.00 0.52 C ATOM 985 CE1 PHE A 153 2.974 12.319 0.826 1.00 0.73 C ATOM 986 CE2 PHE A 153 3.713 14.243 -0.448 1.00 0.61 C ATOM 987 CZ PHE A 153 3.998 13.182 0.416 1.00 0.68 C ATOM 0 H PHE A 153 -2.156 14.051 -2.040 1.00 0.46 H new ATOM 0 HA PHE A 153 0.446 13.263 -3.038 1.00 0.46 H new ATOM 0 HB2 PHE A 153 -0.197 14.879 -1.147 1.00 0.49 H new ATOM 0 HB3 PHE A 153 -0.740 13.504 -0.205 1.00 0.49 H new ATOM 0 HD1 PHE A 153 0.875 11.856 0.688 1.00 0.62 H new ATOM 0 HD2 PHE A 153 2.184 15.268 -1.566 1.00 0.52 H new ATOM 0 HE1 PHE A 153 3.194 11.498 1.492 1.00 0.73 H new ATOM 0 HE2 PHE A 153 4.503 14.907 -0.767 1.00 0.61 H new ATOM 0 HZ PHE A 153 5.008 13.028 0.767 1.00 0.68 H new ATOM 997 N LEU A 154 -1.206 10.923 -1.425 1.00 0.53 N ATOM 998 CA LEU A 154 -1.176 9.443 -1.170 1.00 0.62 C ATOM 999 C LEU A 154 -1.228 8.662 -2.495 1.00 0.65 C ATOM 1000 O LEU A 154 -0.608 7.625 -2.637 1.00 0.83 O ATOM 1001 CB LEU A 154 -2.433 9.145 -0.336 1.00 0.75 C ATOM 1002 CG LEU A 154 -2.091 9.080 1.161 1.00 0.91 C ATOM 1003 CD1 LEU A 154 -0.997 8.039 1.407 1.00 1.65 C ATOM 1004 CD2 LEU A 154 -1.608 10.451 1.644 1.00 1.20 C ATOM 0 H LEU A 154 -2.046 11.401 -1.098 1.00 0.53 H new ATOM 0 HA LEU A 154 -0.261 9.145 -0.657 1.00 0.62 H new ATOM 0 HB2 LEU A 154 -3.182 9.918 -0.509 1.00 0.75 H new ATOM 0 HB3 LEU A 154 -2.871 8.199 -0.655 1.00 0.75 H new ATOM 0 HG LEU A 154 -2.987 8.795 1.713 1.00 0.91 H new ATOM 0 HD11 LEU A 154 -0.763 8.002 2.471 1.00 1.65 H new ATOM 0 HD12 LEU A 154 -1.345 7.060 1.078 1.00 1.65 H new ATOM 0 HD13 LEU A 154 -0.102 8.313 0.848 1.00 1.65 H new ATOM 0 HD21 LEU A 154 -1.367 10.399 2.706 1.00 1.20 H new ATOM 0 HD22 LEU A 154 -0.719 10.742 1.084 1.00 1.20 H new ATOM 0 HD23 LEU A 154 -2.394 11.190 1.486 1.00 1.20 H new ATOM 1016 N GLU A 155 -1.972 9.151 -3.459 1.00 0.69 N ATOM 1017 CA GLU A 155 -2.080 8.440 -4.773 1.00 0.81 C ATOM 1018 C GLU A 155 -0.745 8.471 -5.534 1.00 0.76 C ATOM 1019 O GLU A 155 -0.361 7.498 -6.155 1.00 0.90 O ATOM 1020 CB GLU A 155 -3.157 9.206 -5.552 1.00 0.97 C ATOM 1021 CG GLU A 155 -3.947 8.234 -6.437 1.00 1.41 C ATOM 1022 CD GLU A 155 -3.543 8.425 -7.900 1.00 2.06 C ATOM 1023 OE1 GLU A 155 -2.450 8.017 -8.251 1.00 2.77 O ATOM 1024 OE2 GLU A 155 -4.333 8.978 -8.645 1.00 2.57 O ATOM 0 H GLU A 155 -2.511 10.015 -3.392 1.00 0.69 H new ATOM 0 HA GLU A 155 -2.333 7.388 -4.640 1.00 0.81 H new ATOM 0 HB2 GLU A 155 -3.830 9.711 -4.859 1.00 0.97 H new ATOM 0 HB3 GLU A 155 -2.694 9.978 -6.167 1.00 0.97 H new ATOM 0 HG2 GLU A 155 -3.754 7.207 -6.128 1.00 1.41 H new ATOM 0 HG3 GLU A 155 -5.017 8.407 -6.319 1.00 1.41 H new ATOM 1031 N PHE A 156 -0.041 9.577 -5.500 1.00 0.66 N ATOM 1032 CA PHE A 156 1.262 9.666 -6.237 1.00 0.77 C ATOM 1033 C PHE A 156 2.327 8.748 -5.616 1.00 0.71 C ATOM 1034 O PHE A 156 3.050 8.073 -6.322 1.00 0.88 O ATOM 1035 CB PHE A 156 1.690 11.135 -6.129 1.00 0.84 C ATOM 1036 CG PHE A 156 3.042 11.315 -6.785 1.00 1.01 C ATOM 1037 CD1 PHE A 156 3.126 11.460 -8.171 1.00 1.49 C ATOM 1038 CD2 PHE A 156 4.208 11.329 -6.010 1.00 1.09 C ATOM 1039 CE1 PHE A 156 4.372 11.621 -8.787 1.00 1.72 C ATOM 1040 CE2 PHE A 156 5.455 11.492 -6.625 1.00 1.31 C ATOM 1041 CZ PHE A 156 5.537 11.637 -8.014 1.00 1.53 C ATOM 0 H PHE A 156 -0.311 10.421 -4.995 1.00 0.66 H new ATOM 0 HA PHE A 156 1.152 9.343 -7.272 1.00 0.77 H new ATOM 0 HB2 PHE A 156 0.952 11.776 -6.610 1.00 0.84 H new ATOM 0 HB3 PHE A 156 1.739 11.435 -5.082 1.00 0.84 H new ATOM 0 HD1 PHE A 156 2.227 11.448 -8.769 1.00 1.49 H new ATOM 0 HD2 PHE A 156 4.145 11.214 -4.938 1.00 1.09 H new ATOM 0 HE1 PHE A 156 4.434 11.733 -9.859 1.00 1.72 H new ATOM 0 HE2 PHE A 156 6.354 11.506 -6.027 1.00 1.31 H new ATOM 0 HZ PHE A 156 6.499 11.761 -8.489 1.00 1.53 H new ATOM 1051 N MET A 157 2.441 8.726 -4.308 1.00 0.61 N ATOM 1052 CA MET A 157 3.484 7.862 -3.653 1.00 0.69 C ATOM 1053 C MET A 157 3.228 6.356 -3.873 1.00 0.83 C ATOM 1054 O MET A 157 4.033 5.535 -3.474 1.00 1.17 O ATOM 1055 CB MET A 157 3.415 8.197 -2.160 1.00 0.84 C ATOM 1056 CG MET A 157 3.964 9.606 -1.901 1.00 0.92 C ATOM 1057 SD MET A 157 5.405 9.923 -2.953 1.00 1.56 S ATOM 1058 CE MET A 157 6.678 9.504 -1.739 1.00 0.90 C ATOM 0 H MET A 157 1.861 9.266 -3.666 1.00 0.61 H new ATOM 0 HA MET A 157 4.465 8.060 -4.084 1.00 0.69 H new ATOM 0 HB2 MET A 157 2.383 8.133 -1.814 1.00 0.84 H new ATOM 0 HB3 MET A 157 3.989 7.466 -1.590 1.00 0.84 H new ATOM 0 HG2 MET A 157 3.190 10.347 -2.100 1.00 0.92 H new ATOM 0 HG3 MET A 157 4.242 9.708 -0.852 1.00 0.92 H new ATOM 0 HE1 MET A 157 7.462 10.261 -1.759 1.00 0.90 H new ATOM 0 HE2 MET A 157 6.234 9.467 -0.744 1.00 0.90 H new ATOM 0 HE3 MET A 157 7.106 8.531 -1.982 1.00 0.90 H new ATOM 1068 N LYS A 158 2.132 5.981 -4.501 1.00 0.86 N ATOM 1069 CA LYS A 158 1.858 4.522 -4.740 1.00 1.07 C ATOM 1070 C LYS A 158 3.061 3.849 -5.425 1.00 1.36 C ATOM 1071 O LYS A 158 3.347 2.691 -5.186 1.00 1.73 O ATOM 1072 CB LYS A 158 0.635 4.485 -5.664 1.00 1.28 C ATOM 1073 CG LYS A 158 -0.608 4.084 -4.864 1.00 1.66 C ATOM 1074 CD LYS A 158 -1.740 3.713 -5.827 1.00 2.24 C ATOM 1075 CE LYS A 158 -2.412 4.991 -6.349 1.00 2.85 C ATOM 1076 NZ LYS A 158 -1.658 5.378 -7.582 1.00 3.52 N1+ ATOM 0 H LYS A 158 1.420 6.619 -4.856 1.00 0.86 H new ATOM 0 HA LYS A 158 1.683 3.987 -3.806 1.00 1.07 H new ATOM 0 HB2 LYS A 158 0.484 5.463 -6.122 1.00 1.28 H new ATOM 0 HB3 LYS A 158 0.802 3.776 -6.475 1.00 1.28 H new ATOM 0 HG2 LYS A 158 -0.378 3.240 -4.214 1.00 1.66 H new ATOM 0 HG3 LYS A 158 -0.919 4.906 -4.220 1.00 1.66 H new ATOM 0 HD2 LYS A 158 -1.346 3.131 -6.660 1.00 2.24 H new ATOM 0 HD3 LYS A 158 -2.473 3.086 -5.319 1.00 2.24 H new ATOM 0 HE2 LYS A 158 -3.464 4.815 -6.574 1.00 2.85 H new ATOM 0 HE3 LYS A 158 -2.374 5.785 -5.603 1.00 2.85 H new ATOM 0 HZ1 LYS A 158 -1.085 6.224 -7.387 1.00 3.52 H new ATOM 0 HZ2 LYS A 158 -1.035 4.596 -7.868 1.00 3.52 H new ATOM 0 HZ3 LYS A 158 -2.329 5.584 -8.349 1.00 3.52 H new