USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 557 hydrogens (12 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 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot -116:sc= 0.831 USER MOD Single : A 98 SER OG : rot 101:sc= 0.00107 USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 ASN : amide:sc= -0.335 K(o=-0.34,f=-1.7!) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ -179:sc= 0.864 (180deg=0.863) USER MOD Single : A 120 MET CE :methyl 161:sc= -8.21! (180deg=-10.1!) USER MOD Single : A 122 GLN : amide:sc= -1.71! X(o=-1.7!,f=-1.4) USER MOD Single : A 124 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 THR OG1 : rot -61:sc= 0.15 USER MOD Single : A 129 THR OG1 : rot 180:sc= 0.109 USER MOD Single : A 137 MET CE :methyl -135:sc= -3.38 (180deg=-6.88!) USER MOD Single : A 138 LYS NZ :NH3+ -159:sc= 0.905 (180deg=0.67) USER MOD Single : A 142 LYS NZ :NH3+ 176:sc= 1.54 (180deg=1.25) USER MOD Single : A 143 ASN : amide:sc= -0.274 X(o=-0.27,f=-0.078) USER MOD Single : A 144 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 150 TYR OH : rot 180:sc= -0.0109 USER MOD Single : A 157 MET CE :methyl 167:sc= -0.95 (180deg=-1.65) USER MOD Single : A 158 LYS NZ :NH3+ -172:sc= 1.17 (180deg=1.09) USER MOD Single : A 162 STL O1 : rot 170:sc= -2.86! USER MOD Single : A 162 STL O2 : rot 180:sc= 0 USER MOD Single : A 162 STL O3 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 90 11.743 6.057 4.316 1.00 2.87 N ATOM 2 CA MET A 90 12.201 6.654 3.023 1.00 2.20 C ATOM 3 C MET A 90 11.042 7.389 2.334 1.00 1.76 C ATOM 4 O MET A 90 11.109 8.581 2.098 1.00 2.23 O ATOM 5 CB MET A 90 12.666 5.469 2.169 1.00 2.68 C ATOM 6 CG MET A 90 14.075 5.043 2.591 1.00 3.11 C ATOM 7 SD MET A 90 14.364 3.334 2.071 1.00 4.08 S ATOM 8 CE MET A 90 15.994 3.137 2.833 1.00 4.71 C ATOM 0 HA MET A 90 12.997 7.383 3.172 1.00 2.20 H new ATOM 0 HB2 MET A 90 11.975 4.634 2.283 1.00 2.68 H new ATOM 0 HB3 MET A 90 12.661 5.745 1.115 1.00 2.68 H new ATOM 0 HG2 MET A 90 14.817 5.703 2.141 1.00 3.11 H new ATOM 0 HG3 MET A 90 14.185 5.130 3.672 1.00 3.11 H new ATOM 0 HE1 MET A 90 16.370 2.133 2.634 1.00 4.71 H new ATOM 0 HE2 MET A 90 16.682 3.872 2.415 1.00 4.71 H new ATOM 0 HE3 MET A 90 15.913 3.287 3.910 1.00 4.71 H new ATOM 20 N GLY A 91 9.982 6.686 2.015 1.00 1.61 N ATOM 21 CA GLY A 91 8.817 7.336 1.343 1.00 1.31 C ATOM 22 C GLY A 91 7.973 6.267 0.648 1.00 1.37 C ATOM 23 O GLY A 91 7.990 6.143 -0.562 1.00 1.61 O ATOM 0 H GLY A 91 9.875 5.687 2.192 1.00 1.61 H new ATOM 0 HA2 GLY A 91 8.214 7.873 2.075 1.00 1.31 H new ATOM 0 HA3 GLY A 91 9.165 8.070 0.616 1.00 1.31 H new ATOM 27 N LYS A 92 7.241 5.489 1.406 1.00 1.27 N ATOM 28 CA LYS A 92 6.398 4.417 0.797 1.00 1.47 C ATOM 29 C LYS A 92 4.987 4.449 1.394 1.00 1.40 C ATOM 30 O LYS A 92 4.036 4.827 0.736 1.00 1.56 O ATOM 31 CB LYS A 92 7.116 3.115 1.154 1.00 1.61 C ATOM 32 CG LYS A 92 6.685 2.008 0.186 1.00 1.94 C ATOM 33 CD LYS A 92 7.601 0.791 0.354 1.00 2.31 C ATOM 34 CE LYS A 92 6.748 -0.476 0.502 1.00 2.59 C ATOM 35 NZ LYS A 92 7.669 -1.514 1.058 1.00 3.20 N1+ ATOM 0 H LYS A 92 7.192 5.551 2.423 1.00 1.27 H new ATOM 0 HA LYS A 92 6.280 4.535 -0.280 1.00 1.47 H new ATOM 0 HB2 LYS A 92 8.195 3.257 1.102 1.00 1.61 H new ATOM 0 HB3 LYS A 92 6.881 2.828 2.179 1.00 1.61 H new ATOM 0 HG2 LYS A 92 5.650 1.726 0.378 1.00 1.94 H new ATOM 0 HG3 LYS A 92 6.731 2.371 -0.841 1.00 1.94 H new ATOM 0 HD2 LYS A 92 8.262 0.698 -0.508 1.00 2.31 H new ATOM 0 HD3 LYS A 92 8.236 0.919 1.231 1.00 2.31 H new ATOM 0 HE2 LYS A 92 5.902 -0.304 1.168 1.00 2.59 H new ATOM 0 HE3 LYS A 92 6.339 -0.788 -0.459 1.00 2.59 H new ATOM 0 HZ1 LYS A 92 7.150 -2.407 1.184 1.00 3.20 H new ATOM 0 HZ2 LYS A 92 8.461 -1.664 0.400 1.00 3.20 H new ATOM 0 HZ3 LYS A 92 8.038 -1.195 1.977 1.00 3.20 H new ATOM 49 N SER A 93 4.848 4.071 2.640 1.00 1.38 N ATOM 50 CA SER A 93 3.504 4.094 3.288 1.00 1.40 C ATOM 51 C SER A 93 3.351 5.388 4.089 1.00 1.20 C ATOM 52 O SER A 93 4.291 6.153 4.216 1.00 1.08 O ATOM 53 CB SER A 93 3.482 2.876 4.214 1.00 1.60 C ATOM 54 OG SER A 93 2.146 2.639 4.640 1.00 2.20 O ATOM 0 H SER A 93 5.610 3.747 3.236 1.00 1.38 H new ATOM 0 HA SER A 93 2.688 4.058 2.567 1.00 1.40 H new ATOM 0 HB2 SER A 93 3.871 2.001 3.694 1.00 1.60 H new ATOM 0 HB3 SER A 93 4.127 3.047 5.076 1.00 1.60 H new ATOM 0 HG SER A 93 2.084 2.768 5.609 1.00 2.20 H new ATOM 60 N GLU A 94 2.185 5.640 4.634 1.00 1.26 N ATOM 61 CA GLU A 94 1.984 6.894 5.432 1.00 1.17 C ATOM 62 C GLU A 94 3.112 7.063 6.461 1.00 1.12 C ATOM 63 O GLU A 94 3.464 8.169 6.822 1.00 1.09 O ATOM 64 CB GLU A 94 0.628 6.733 6.127 1.00 1.33 C ATOM 65 CG GLU A 94 -0.367 7.745 5.545 1.00 1.28 C ATOM 66 CD GLU A 94 0.133 9.173 5.796 1.00 1.44 C ATOM 67 OE1 GLU A 94 -0.161 9.705 6.853 1.00 1.94 O ATOM 68 OE2 GLU A 94 0.798 9.709 4.925 1.00 2.09 O ATOM 0 H GLU A 94 1.366 5.036 4.562 1.00 1.26 H new ATOM 0 HA GLU A 94 2.002 7.782 4.800 1.00 1.17 H new ATOM 0 HB2 GLU A 94 0.254 5.718 5.989 1.00 1.33 H new ATOM 0 HB3 GLU A 94 0.736 6.889 7.200 1.00 1.33 H new ATOM 0 HG2 GLU A 94 -0.487 7.575 4.475 1.00 1.28 H new ATOM 0 HG3 GLU A 94 -1.347 7.608 6.002 1.00 1.28 H new ATOM 75 N GLU A 95 3.693 5.973 6.911 1.00 1.19 N ATOM 76 CA GLU A 95 4.819 6.054 7.894 1.00 1.23 C ATOM 77 C GLU A 95 5.864 7.072 7.416 1.00 1.03 C ATOM 78 O GLU A 95 6.257 7.963 8.145 1.00 1.01 O ATOM 79 CB GLU A 95 5.422 4.643 7.915 1.00 1.45 C ATOM 80 CG GLU A 95 4.514 3.704 8.719 1.00 1.90 C ATOM 81 CD GLU A 95 3.743 2.790 7.764 1.00 2.12 C ATOM 82 OE1 GLU A 95 4.263 1.738 7.432 1.00 2.49 O ATOM 83 OE2 GLU A 95 2.647 3.161 7.378 1.00 2.66 O ATOM 0 H GLU A 95 3.432 5.026 6.636 1.00 1.19 H new ATOM 0 HA GLU A 95 4.487 6.375 8.881 1.00 1.23 H new ATOM 0 HB2 GLU A 95 5.536 4.271 6.897 1.00 1.45 H new ATOM 0 HB3 GLU A 95 6.418 4.669 8.358 1.00 1.45 H new ATOM 0 HG2 GLU A 95 5.111 3.106 9.407 1.00 1.90 H new ATOM 0 HG3 GLU A 95 3.818 4.285 9.323 1.00 1.90 H new ATOM 90 N GLU A 96 6.306 6.943 6.190 1.00 1.02 N ATOM 91 CA GLU A 96 7.321 7.895 5.640 1.00 0.94 C ATOM 92 C GLU A 96 6.632 9.008 4.830 1.00 0.79 C ATOM 93 O GLU A 96 7.124 10.118 4.753 1.00 0.82 O ATOM 94 CB GLU A 96 8.215 7.050 4.723 1.00 1.15 C ATOM 95 CG GLU A 96 8.629 5.749 5.429 1.00 1.62 C ATOM 96 CD GLU A 96 8.547 4.584 4.441 1.00 1.99 C ATOM 97 OE1 GLU A 96 7.462 4.053 4.270 1.00 2.18 O ATOM 98 OE2 GLU A 96 9.569 4.247 3.866 1.00 2.78 O ATOM 0 H GLU A 96 6.006 6.215 5.542 1.00 1.02 H new ATOM 0 HA GLU A 96 7.890 8.381 6.432 1.00 0.94 H new ATOM 0 HB2 GLU A 96 7.684 6.817 3.800 1.00 1.15 H new ATOM 0 HB3 GLU A 96 9.102 7.619 4.445 1.00 1.15 H new ATOM 0 HG2 GLU A 96 9.644 5.840 5.817 1.00 1.62 H new ATOM 0 HG3 GLU A 96 7.977 5.563 6.282 1.00 1.62 H new ATOM 105 N LEU A 97 5.507 8.714 4.217 1.00 0.77 N ATOM 106 CA LEU A 97 4.789 9.746 3.396 1.00 0.71 C ATOM 107 C LEU A 97 4.316 10.916 4.267 1.00 0.67 C ATOM 108 O LEU A 97 4.508 12.066 3.921 1.00 0.75 O ATOM 109 CB LEU A 97 3.579 9.020 2.792 1.00 0.80 C ATOM 110 CG LEU A 97 4.021 7.935 1.798 1.00 0.77 C ATOM 111 CD1 LEU A 97 2.935 7.760 0.740 1.00 1.40 C ATOM 112 CD2 LEU A 97 5.334 8.326 1.111 1.00 1.22 C ATOM 0 H LEU A 97 5.054 7.801 4.250 1.00 0.77 H new ATOM 0 HA LEU A 97 5.444 10.166 2.633 1.00 0.71 H new ATOM 0 HB2 LEU A 97 2.988 8.568 3.589 1.00 0.80 H new ATOM 0 HB3 LEU A 97 2.935 9.740 2.286 1.00 0.80 H new ATOM 0 HG LEU A 97 4.178 7.004 2.342 1.00 0.77 H new ATOM 0 HD11 LEU A 97 3.240 6.992 0.029 1.00 1.40 H new ATOM 0 HD12 LEU A 97 2.004 7.461 1.221 1.00 1.40 H new ATOM 0 HD13 LEU A 97 2.785 8.702 0.213 1.00 1.40 H new ATOM 0 HD21 LEU A 97 5.626 7.542 0.412 1.00 1.22 H new ATOM 0 HD22 LEU A 97 5.197 9.262 0.570 1.00 1.22 H new ATOM 0 HD23 LEU A 97 6.114 8.452 1.862 1.00 1.22 H new ATOM 124 N SER A 98 3.691 10.631 5.387 1.00 0.69 N ATOM 125 CA SER A 98 3.195 11.726 6.285 1.00 0.76 C ATOM 126 C SER A 98 4.314 12.734 6.568 1.00 0.72 C ATOM 127 O SER A 98 4.108 13.931 6.510 1.00 0.77 O ATOM 128 CB SER A 98 2.769 11.027 7.577 1.00 0.92 C ATOM 129 OG SER A 98 1.799 11.825 8.244 1.00 1.57 O ATOM 0 H SER A 98 3.503 9.685 5.719 1.00 0.69 H new ATOM 0 HA SER A 98 2.374 12.281 5.832 1.00 0.76 H new ATOM 0 HB2 SER A 98 2.356 10.043 7.353 1.00 0.92 H new ATOM 0 HB3 SER A 98 3.634 10.870 8.222 1.00 0.92 H new ATOM 0 HG SER A 98 0.904 11.464 8.072 1.00 1.57 H new ATOM 135 N ASP A 99 5.496 12.255 6.866 1.00 0.80 N ATOM 136 CA ASP A 99 6.638 13.179 7.149 1.00 0.86 C ATOM 137 C ASP A 99 7.172 13.796 5.846 1.00 0.81 C ATOM 138 O ASP A 99 7.462 14.975 5.791 1.00 0.91 O ATOM 139 CB ASP A 99 7.704 12.303 7.815 1.00 1.02 C ATOM 140 CG ASP A 99 7.480 12.298 9.328 1.00 1.23 C ATOM 141 OD1 ASP A 99 6.573 11.612 9.770 1.00 1.79 O ATOM 142 OD2 ASP A 99 8.214 12.983 10.019 1.00 1.83 O ATOM 0 H ASP A 99 5.720 11.262 6.926 1.00 0.80 H new ATOM 0 HA ASP A 99 6.342 14.013 7.786 1.00 0.86 H new ATOM 0 HB2 ASP A 99 7.652 11.287 7.425 1.00 1.02 H new ATOM 0 HB3 ASP A 99 8.699 12.683 7.584 1.00 1.02 H new ATOM 147 N LEU A 100 7.300 13.011 4.797 1.00 0.75 N ATOM 148 CA LEU A 100 7.813 13.562 3.496 1.00 0.76 C ATOM 149 C LEU A 100 6.970 14.773 3.064 1.00 0.68 C ATOM 150 O LEU A 100 7.496 15.821 2.754 1.00 0.79 O ATOM 151 CB LEU A 100 7.678 12.416 2.484 1.00 0.86 C ATOM 152 CG LEU A 100 8.689 12.606 1.344 1.00 0.79 C ATOM 153 CD1 LEU A 100 9.506 11.322 1.165 1.00 1.41 C ATOM 154 CD2 LEU A 100 7.946 12.920 0.040 1.00 1.41 C ATOM 0 H LEU A 100 7.072 12.017 4.785 1.00 0.75 H new ATOM 0 HA LEU A 100 8.844 13.906 3.575 1.00 0.76 H new ATOM 0 HB2 LEU A 100 7.849 11.460 2.979 1.00 0.86 H new ATOM 0 HB3 LEU A 100 6.665 12.390 2.083 1.00 0.86 H new ATOM 0 HG LEU A 100 9.355 13.433 1.590 1.00 0.79 H new ATOM 0 HD11 LEU A 100 10.224 11.457 0.356 1.00 1.41 H new ATOM 0 HD12 LEU A 100 10.039 11.098 2.089 1.00 1.41 H new ATOM 0 HD13 LEU A 100 8.837 10.496 0.923 1.00 1.41 H new ATOM 0 HD21 LEU A 100 8.667 13.054 -0.766 1.00 1.41 H new ATOM 0 HD22 LEU A 100 7.277 12.095 -0.205 1.00 1.41 H new ATOM 0 HD23 LEU A 100 7.365 13.834 0.163 1.00 1.41 H new ATOM 166 N PHE A 101 5.665 14.636 3.058 1.00 0.60 N ATOM 167 CA PHE A 101 4.777 15.780 2.662 1.00 0.59 C ATOM 168 C PHE A 101 4.804 16.874 3.742 1.00 0.60 C ATOM 169 O PHE A 101 4.910 18.049 3.444 1.00 0.72 O ATOM 170 CB PHE A 101 3.374 15.167 2.555 1.00 0.61 C ATOM 171 CG PHE A 101 2.399 16.172 1.977 1.00 0.58 C ATOM 172 CD1 PHE A 101 1.843 17.164 2.797 1.00 0.68 C ATOM 173 CD2 PHE A 101 2.039 16.102 0.627 1.00 0.86 C ATOM 174 CE1 PHE A 101 0.932 18.083 2.264 1.00 0.73 C ATOM 175 CE2 PHE A 101 1.125 17.020 0.097 1.00 0.90 C ATOM 176 CZ PHE A 101 0.573 18.012 0.915 1.00 0.69 C ATOM 0 H PHE A 101 5.173 13.779 3.311 1.00 0.60 H new ATOM 0 HA PHE A 101 5.094 16.248 1.730 1.00 0.59 H new ATOM 0 HB2 PHE A 101 3.406 14.278 1.925 1.00 0.61 H new ATOM 0 HB3 PHE A 101 3.034 14.847 3.540 1.00 0.61 H new ATOM 0 HD1 PHE A 101 2.118 17.219 3.840 1.00 0.68 H new ATOM 0 HD2 PHE A 101 2.467 15.339 -0.007 1.00 0.86 H new ATOM 0 HE1 PHE A 101 0.506 18.848 2.896 1.00 0.73 H new ATOM 0 HE2 PHE A 101 0.845 16.963 -0.945 1.00 0.90 H new ATOM 0 HZ PHE A 101 -0.130 18.722 0.504 1.00 0.69 H new ATOM 186 N ARG A 102 4.698 16.488 4.992 1.00 0.67 N ATOM 187 CA ARG A 102 4.698 17.486 6.113 1.00 0.76 C ATOM 188 C ARG A 102 5.998 18.312 6.153 1.00 0.68 C ATOM 189 O ARG A 102 5.978 19.483 6.486 1.00 0.78 O ATOM 190 CB ARG A 102 4.563 16.635 7.383 1.00 0.99 C ATOM 191 CG ARG A 102 4.696 17.516 8.633 1.00 1.30 C ATOM 192 CD ARG A 102 5.606 16.823 9.653 1.00 1.45 C ATOM 193 NE ARG A 102 4.712 15.879 10.387 1.00 2.12 N ATOM 194 CZ ARG A 102 5.027 14.619 10.471 1.00 2.71 C ATOM 195 NH1 ARG A 102 5.834 14.214 11.409 1.00 3.37 N1+ ATOM 196 NH2 ARG A 102 4.527 13.766 9.623 1.00 3.07 N ATOM 0 H ARG A 102 4.611 15.516 5.287 1.00 0.67 H new ATOM 0 HA ARG A 102 3.894 18.213 6.000 1.00 0.76 H new ATOM 0 HB2 ARG A 102 3.598 16.128 7.388 1.00 0.99 H new ATOM 0 HB3 ARG A 102 5.330 15.860 7.393 1.00 0.99 H new ATOM 0 HG2 ARG A 102 5.109 18.488 8.363 1.00 1.30 H new ATOM 0 HG3 ARG A 102 3.714 17.697 9.070 1.00 1.30 H new ATOM 0 HD2 ARG A 102 6.420 16.293 9.160 1.00 1.45 H new ATOM 0 HD3 ARG A 102 6.061 17.545 10.332 1.00 1.45 H new ATOM 0 HE ARG A 102 3.855 16.221 10.822 1.00 2.12 H new ATOM 0 HH11 ARG A 102 6.218 14.884 12.076 1.00 3.37 H new ATOM 0 HH12 ARG A 102 6.082 13.227 11.477 1.00 3.37 H new ATOM 0 HH21 ARG A 102 3.889 14.086 8.894 1.00 3.07 H new ATOM 0 HH22 ARG A 102 4.773 12.778 9.688 1.00 3.07 H new ATOM 210 N MET A 103 7.123 17.718 5.842 1.00 0.71 N ATOM 211 CA MET A 103 8.412 18.484 5.892 1.00 0.75 C ATOM 212 C MET A 103 8.764 19.106 4.529 1.00 0.68 C ATOM 213 O MET A 103 9.664 19.921 4.438 1.00 0.83 O ATOM 214 CB MET A 103 9.471 17.451 6.298 1.00 0.93 C ATOM 215 CG MET A 103 9.429 17.239 7.814 1.00 1.27 C ATOM 216 SD MET A 103 9.629 15.478 8.185 1.00 1.82 S ATOM 217 CE MET A 103 11.221 15.596 9.037 1.00 2.43 C ATOM 0 H MET A 103 7.208 16.742 5.557 1.00 0.71 H new ATOM 0 HA MET A 103 8.348 19.318 6.591 1.00 0.75 H new ATOM 0 HB2 MET A 103 9.289 16.507 5.784 1.00 0.93 H new ATOM 0 HB3 MET A 103 10.461 17.793 5.996 1.00 0.93 H new ATOM 0 HG2 MET A 103 10.220 17.815 8.294 1.00 1.27 H new ATOM 0 HG3 MET A 103 8.483 17.601 8.216 1.00 1.27 H new ATOM 0 HE1 MET A 103 11.537 14.603 9.357 1.00 2.43 H new ATOM 0 HE2 MET A 103 11.966 16.013 8.360 1.00 2.43 H new ATOM 0 HE3 MET A 103 11.120 16.243 9.908 1.00 2.43 H new ATOM 227 N PHE A 104 8.083 18.735 3.469 1.00 0.68 N ATOM 228 CA PHE A 104 8.424 19.320 2.132 1.00 0.79 C ATOM 229 C PHE A 104 7.654 20.625 1.854 1.00 0.71 C ATOM 230 O PHE A 104 7.962 21.327 0.908 1.00 0.88 O ATOM 231 CB PHE A 104 8.046 18.250 1.103 1.00 0.94 C ATOM 232 CG PHE A 104 9.277 17.475 0.675 1.00 1.31 C ATOM 233 CD1 PHE A 104 10.513 18.123 0.541 1.00 2.03 C ATOM 234 CD2 PHE A 104 9.178 16.104 0.411 1.00 1.26 C ATOM 235 CE1 PHE A 104 11.643 17.401 0.145 1.00 2.65 C ATOM 236 CE2 PHE A 104 10.309 15.382 0.015 1.00 1.86 C ATOM 237 CZ PHE A 104 11.541 16.030 -0.118 1.00 2.56 C ATOM 0 H PHE A 104 7.316 18.062 3.471 1.00 0.68 H new ATOM 0 HA PHE A 104 9.481 19.582 2.089 1.00 0.79 H new ATOM 0 HB2 PHE A 104 7.309 17.569 1.530 1.00 0.94 H new ATOM 0 HB3 PHE A 104 7.582 18.718 0.235 1.00 0.94 H new ATOM 0 HD1 PHE A 104 10.592 19.181 0.744 1.00 2.03 H new ATOM 0 HD2 PHE A 104 8.227 15.603 0.513 1.00 1.26 H new ATOM 0 HE1 PHE A 104 12.595 17.901 0.042 1.00 2.65 H new ATOM 0 HE2 PHE A 104 10.231 14.324 -0.188 1.00 1.86 H new ATOM 0 HZ PHE A 104 12.414 15.473 -0.424 1.00 2.56 H new ATOM 247 N ASP A 105 6.670 20.969 2.653 1.00 0.61 N ATOM 248 CA ASP A 105 5.920 22.240 2.396 1.00 0.60 C ATOM 249 C ASP A 105 6.731 23.442 2.901 1.00 0.56 C ATOM 250 O ASP A 105 6.546 23.911 4.009 1.00 0.63 O ATOM 251 CB ASP A 105 4.595 22.112 3.161 1.00 0.68 C ATOM 252 CG ASP A 105 3.552 23.043 2.532 1.00 0.86 C ATOM 253 OD1 ASP A 105 3.543 24.211 2.871 1.00 1.45 O ATOM 254 OD2 ASP A 105 2.784 22.575 1.714 1.00 0.84 O ATOM 0 H ASP A 105 6.357 20.432 3.462 1.00 0.61 H new ATOM 0 HA ASP A 105 5.743 22.399 1.332 1.00 0.60 H new ATOM 0 HB2 ASP A 105 4.243 21.081 3.131 1.00 0.68 H new ATOM 0 HB3 ASP A 105 4.742 22.368 4.210 1.00 0.68 H new ATOM 259 N LYS A 106 7.629 23.944 2.088 1.00 0.59 N ATOM 260 CA LYS A 106 8.457 25.122 2.509 1.00 0.66 C ATOM 261 C LYS A 106 7.576 26.373 2.640 1.00 0.55 C ATOM 262 O LYS A 106 7.909 27.299 3.354 1.00 0.63 O ATOM 263 CB LYS A 106 9.498 25.316 1.397 1.00 0.87 C ATOM 264 CG LYS A 106 10.372 24.062 1.271 1.00 1.21 C ATOM 265 CD LYS A 106 11.352 23.991 2.448 1.00 1.61 C ATOM 266 CE LYS A 106 11.529 22.532 2.878 1.00 1.77 C ATOM 267 NZ LYS A 106 12.851 22.493 3.568 1.00 2.14 N1+ ATOM 0 H LYS A 106 7.826 23.591 1.152 1.00 0.59 H new ATOM 0 HA LYS A 106 8.929 24.958 3.478 1.00 0.66 H new ATOM 0 HB2 LYS A 106 8.997 25.517 0.450 1.00 0.87 H new ATOM 0 HB3 LYS A 106 10.121 26.183 1.618 1.00 0.87 H new ATOM 0 HG2 LYS A 106 9.745 23.171 1.254 1.00 1.21 H new ATOM 0 HG3 LYS A 106 10.921 24.083 0.330 1.00 1.21 H new ATOM 0 HD2 LYS A 106 12.314 24.416 2.160 1.00 1.61 H new ATOM 0 HD3 LYS A 106 10.978 24.584 3.282 1.00 1.61 H new ATOM 0 HE2 LYS A 106 10.726 22.216 3.544 1.00 1.77 H new ATOM 0 HE3 LYS A 106 11.512 21.862 2.018 1.00 1.77 H new ATOM 0 HZ1 LYS A 106 13.045 21.524 3.893 1.00 2.14 H new ATOM 0 HZ2 LYS A 106 13.596 22.792 2.907 1.00 2.14 H new ATOM 0 HZ3 LYS A 106 12.835 23.135 4.386 1.00 2.14 H new ATOM 281 N ASN A 107 6.454 26.404 1.960 1.00 0.48 N ATOM 282 CA ASN A 107 5.545 27.590 2.044 1.00 0.50 C ATOM 283 C ASN A 107 4.788 27.598 3.388 1.00 0.58 C ATOM 284 O ASN A 107 4.344 28.630 3.847 1.00 0.70 O ATOM 285 CB ASN A 107 4.583 27.422 0.870 1.00 0.54 C ATOM 286 CG ASN A 107 3.890 28.746 0.545 1.00 0.70 C ATOM 287 OD1 ASN A 107 4.408 29.811 0.820 1.00 1.00 O ATOM 288 ND2 ASN A 107 2.728 28.720 -0.042 1.00 0.78 N ATOM 0 H ASN A 107 6.128 25.656 1.348 1.00 0.48 H new ATOM 0 HA ASN A 107 6.086 28.535 1.995 1.00 0.50 H new ATOM 0 HB2 ASN A 107 5.128 27.067 -0.005 1.00 0.54 H new ATOM 0 HB3 ASN A 107 3.837 26.665 1.110 1.00 0.54 H new ATOM 0 HD21 ASN A 107 2.253 29.593 -0.271 1.00 0.78 H new ATOM 0 HD22 ASN A 107 2.293 27.827 -0.273 1.00 0.78 H new ATOM 295 N ALA A 108 4.662 26.449 4.018 1.00 0.65 N ATOM 296 CA ALA A 108 3.970 26.338 5.347 1.00 0.84 C ATOM 297 C ALA A 108 2.473 26.713 5.281 1.00 0.78 C ATOM 298 O ALA A 108 2.061 27.744 5.779 1.00 0.96 O ATOM 299 CB ALA A 108 4.730 27.291 6.278 1.00 1.03 C ATOM 0 H ALA A 108 5.018 25.564 3.657 1.00 0.65 H new ATOM 0 HA ALA A 108 3.984 25.307 5.699 1.00 0.84 H new ATOM 0 HB1 ALA A 108 4.281 27.265 7.271 1.00 1.03 H new ATOM 0 HB2 ALA A 108 5.773 26.981 6.343 1.00 1.03 H new ATOM 0 HB3 ALA A 108 4.677 28.305 5.883 1.00 1.03 H new ATOM 305 N ASP A 109 1.654 25.864 4.699 1.00 0.73 N ATOM 306 CA ASP A 109 0.177 26.158 4.640 1.00 0.74 C ATOM 307 C ASP A 109 -0.680 24.869 4.559 1.00 0.78 C ATOM 308 O ASP A 109 -1.895 24.943 4.555 1.00 0.96 O ATOM 309 CB ASP A 109 -0.033 27.027 3.396 1.00 0.72 C ATOM 310 CG ASP A 109 0.654 26.400 2.189 1.00 1.15 C ATOM 311 OD1 ASP A 109 0.137 25.428 1.670 1.00 1.66 O ATOM 312 OD2 ASP A 109 1.687 26.906 1.804 1.00 1.95 O ATOM 0 H ASP A 109 1.939 24.986 4.265 1.00 0.73 H new ATOM 0 HA ASP A 109 -0.143 26.665 5.550 1.00 0.74 H new ATOM 0 HB2 ASP A 109 -1.099 27.139 3.198 1.00 0.72 H new ATOM 0 HB3 ASP A 109 0.365 28.026 3.571 1.00 0.72 H new ATOM 317 N GLY A 110 -0.079 23.697 4.515 1.00 0.76 N ATOM 318 CA GLY A 110 -0.892 22.439 4.462 1.00 0.85 C ATOM 319 C GLY A 110 -0.871 21.813 3.058 1.00 0.70 C ATOM 320 O GLY A 110 -0.947 20.608 2.921 1.00 0.73 O ATOM 0 H GLY A 110 0.932 23.561 4.514 1.00 0.76 H new ATOM 0 HA2 GLY A 110 -0.504 21.723 5.187 1.00 0.85 H new ATOM 0 HA3 GLY A 110 -1.921 22.657 4.749 1.00 0.85 H new ATOM 324 N TYR A 111 -0.789 22.606 2.016 1.00 0.68 N ATOM 325 CA TYR A 111 -0.788 22.025 0.632 1.00 0.60 C ATOM 326 C TYR A 111 0.474 22.445 -0.124 1.00 0.58 C ATOM 327 O TYR A 111 0.748 23.616 -0.270 1.00 0.83 O ATOM 328 CB TYR A 111 -2.023 22.621 -0.053 1.00 0.68 C ATOM 329 CG TYR A 111 -3.256 22.413 0.798 1.00 0.68 C ATOM 330 CD1 TYR A 111 -3.521 23.274 1.873 1.00 0.71 C ATOM 331 CD2 TYR A 111 -4.134 21.362 0.512 1.00 0.78 C ATOM 332 CE1 TYR A 111 -4.663 23.082 2.659 1.00 0.78 C ATOM 333 CE2 TYR A 111 -5.276 21.172 1.299 1.00 0.83 C ATOM 334 CZ TYR A 111 -5.541 22.031 2.371 1.00 0.80 C ATOM 335 OH TYR A 111 -6.668 21.842 3.143 1.00 0.90 O ATOM 0 H TYR A 111 -0.723 23.623 2.061 1.00 0.68 H new ATOM 0 HA TYR A 111 -0.807 20.935 0.652 1.00 0.60 H new ATOM 0 HB2 TYR A 111 -1.870 23.686 -0.227 1.00 0.68 H new ATOM 0 HB3 TYR A 111 -2.165 22.155 -1.028 1.00 0.68 H new ATOM 0 HD1 TYR A 111 -2.844 24.085 2.094 1.00 0.71 H new ATOM 0 HD2 TYR A 111 -3.931 20.698 -0.315 1.00 0.78 H new ATOM 0 HE1 TYR A 111 -4.867 23.745 3.487 1.00 0.78 H new ATOM 0 HE2 TYR A 111 -5.954 20.361 1.078 1.00 0.83 H new ATOM 0 HH TYR A 111 -7.169 21.070 2.807 1.00 0.90 H new ATOM 345 N ILE A 112 1.238 21.504 -0.616 1.00 0.50 N ATOM 346 CA ILE A 112 2.487 21.866 -1.365 1.00 0.50 C ATOM 347 C ILE A 112 2.146 22.415 -2.757 1.00 0.49 C ATOM 348 O ILE A 112 1.224 21.960 -3.407 1.00 0.66 O ATOM 349 CB ILE A 112 3.293 20.564 -1.464 1.00 0.50 C ATOM 350 CG1 ILE A 112 3.807 20.184 -0.071 1.00 0.62 C ATOM 351 CG2 ILE A 112 4.485 20.759 -2.408 1.00 0.58 C ATOM 352 CD1 ILE A 112 4.081 18.681 -0.012 1.00 0.66 C ATOM 0 H ILE A 112 1.055 20.504 -0.534 1.00 0.50 H new ATOM 0 HA ILE A 112 3.053 22.649 -0.860 1.00 0.50 H new ATOM 0 HB ILE A 112 2.653 19.772 -1.853 1.00 0.50 H new ATOM 0 HG12 ILE A 112 4.718 20.738 0.154 1.00 0.62 H new ATOM 0 HG13 ILE A 112 3.072 20.459 0.685 1.00 0.62 H new ATOM 0 HG21 ILE A 112 5.053 19.831 -2.474 1.00 0.58 H new ATOM 0 HG22 ILE A 112 4.123 21.034 -3.399 1.00 0.58 H new ATOM 0 HG23 ILE A 112 5.128 21.551 -2.024 1.00 0.58 H new ATOM 0 HD11 ILE A 112 4.446 18.416 0.980 1.00 0.66 H new ATOM 0 HD12 ILE A 112 3.160 18.135 -0.217 1.00 0.66 H new ATOM 0 HD13 ILE A 112 4.832 18.419 -0.757 1.00 0.66 H new ATOM 364 N ASP A 113 2.884 23.398 -3.211 1.00 0.47 N ATOM 365 CA ASP A 113 2.609 23.995 -4.554 1.00 0.50 C ATOM 366 C ASP A 113 3.742 23.669 -5.543 1.00 0.50 C ATOM 367 O ASP A 113 4.750 23.088 -5.183 1.00 0.57 O ATOM 368 CB ASP A 113 2.516 25.505 -4.307 1.00 0.60 C ATOM 369 CG ASP A 113 1.312 25.810 -3.408 1.00 1.17 C ATOM 370 OD1 ASP A 113 1.468 25.769 -2.196 1.00 1.85 O ATOM 371 OD2 ASP A 113 0.255 26.081 -3.946 1.00 1.77 O ATOM 0 H ASP A 113 3.667 23.814 -2.707 1.00 0.47 H new ATOM 0 HA ASP A 113 1.696 23.598 -4.997 1.00 0.50 H new ATOM 0 HB2 ASP A 113 3.432 25.863 -3.838 1.00 0.60 H new ATOM 0 HB3 ASP A 113 2.416 26.033 -5.256 1.00 0.60 H new ATOM 376 N LEU A 114 3.567 24.033 -6.791 1.00 0.52 N ATOM 377 CA LEU A 114 4.604 23.747 -7.840 1.00 0.57 C ATOM 378 C LEU A 114 6.001 24.245 -7.428 1.00 0.63 C ATOM 379 O LEU A 114 6.990 23.564 -7.628 1.00 0.80 O ATOM 380 CB LEU A 114 4.125 24.506 -9.082 1.00 0.62 C ATOM 381 CG LEU A 114 3.022 23.707 -9.782 1.00 0.61 C ATOM 382 CD1 LEU A 114 1.895 24.649 -10.208 1.00 0.91 C ATOM 383 CD2 LEU A 114 3.602 23.022 -11.020 1.00 0.81 C ATOM 0 H LEU A 114 2.740 24.522 -7.134 1.00 0.52 H new ATOM 0 HA LEU A 114 4.705 22.674 -8.005 1.00 0.57 H new ATOM 0 HB2 LEU A 114 3.750 25.489 -8.797 1.00 0.62 H new ATOM 0 HB3 LEU A 114 4.959 24.668 -9.765 1.00 0.62 H new ATOM 0 HG LEU A 114 2.628 22.957 -9.096 1.00 0.61 H new ATOM 0 HD11 LEU A 114 1.112 24.077 -10.706 1.00 0.91 H new ATOM 0 HD12 LEU A 114 1.481 25.142 -9.329 1.00 0.91 H new ATOM 0 HD13 LEU A 114 2.288 25.400 -10.894 1.00 0.91 H new ATOM 0 HD21 LEU A 114 2.819 22.452 -11.521 1.00 0.81 H new ATOM 0 HD22 LEU A 114 3.995 23.776 -11.702 1.00 0.81 H new ATOM 0 HD23 LEU A 114 4.406 22.349 -10.721 1.00 0.81 H new ATOM 395 N ASP A 115 6.091 25.431 -6.881 1.00 0.61 N ATOM 396 CA ASP A 115 7.427 25.984 -6.483 1.00 0.71 C ATOM 397 C ASP A 115 8.106 25.119 -5.407 1.00 0.65 C ATOM 398 O ASP A 115 9.250 24.726 -5.558 1.00 0.89 O ATOM 399 CB ASP A 115 7.124 27.384 -5.946 1.00 0.80 C ATOM 400 CG ASP A 115 8.434 28.114 -5.654 1.00 1.17 C ATOM 401 OD1 ASP A 115 8.940 27.967 -4.555 1.00 1.76 O ATOM 402 OD2 ASP A 115 8.913 28.802 -6.538 1.00 1.76 O ATOM 0 H ASP A 115 5.297 26.043 -6.692 1.00 0.61 H new ATOM 0 HA ASP A 115 8.121 26.001 -7.324 1.00 0.71 H new ATOM 0 HB2 ASP A 115 6.538 27.945 -6.674 1.00 0.80 H new ATOM 0 HB3 ASP A 115 6.524 27.315 -5.039 1.00 0.80 H new ATOM 407 N GLU A 116 7.425 24.824 -4.326 1.00 0.51 N ATOM 408 CA GLU A 116 8.056 23.990 -3.245 1.00 0.48 C ATOM 409 C GLU A 116 8.421 22.599 -3.783 1.00 0.49 C ATOM 410 O GLU A 116 9.373 21.990 -3.332 1.00 0.63 O ATOM 411 CB GLU A 116 7.015 23.872 -2.125 1.00 0.48 C ATOM 412 CG GLU A 116 6.525 25.256 -1.707 1.00 0.57 C ATOM 413 CD GLU A 116 5.169 25.110 -1.035 1.00 0.60 C ATOM 414 OE1 GLU A 116 5.118 24.529 0.037 1.00 1.36 O ATOM 415 OE2 GLU A 116 4.203 25.579 -1.601 1.00 1.19 O ATOM 0 H GLU A 116 6.466 25.120 -4.143 1.00 0.51 H new ATOM 0 HA GLU A 116 8.976 24.448 -2.883 1.00 0.48 H new ATOM 0 HB2 GLU A 116 6.173 23.268 -2.464 1.00 0.48 H new ATOM 0 HB3 GLU A 116 7.450 23.359 -1.268 1.00 0.48 H new ATOM 0 HG2 GLU A 116 7.237 25.719 -1.024 1.00 0.57 H new ATOM 0 HG3 GLU A 116 6.447 25.908 -2.577 1.00 0.57 H new ATOM 422 N LEU A 117 7.678 22.096 -4.746 1.00 0.48 N ATOM 423 CA LEU A 117 7.991 20.745 -5.317 1.00 0.52 C ATOM 424 C LEU A 117 9.416 20.725 -5.892 1.00 0.58 C ATOM 425 O LEU A 117 10.165 19.795 -5.673 1.00 0.69 O ATOM 426 CB LEU A 117 6.971 20.528 -6.438 1.00 0.55 C ATOM 427 CG LEU A 117 5.583 20.260 -5.852 1.00 0.50 C ATOM 428 CD1 LEU A 117 4.565 20.212 -6.991 1.00 0.58 C ATOM 429 CD2 LEU A 117 5.575 18.923 -5.107 1.00 0.53 C ATOM 0 H LEU A 117 6.871 22.563 -5.159 1.00 0.48 H new ATOM 0 HA LEU A 117 7.936 19.965 -4.558 1.00 0.52 H new ATOM 0 HB2 LEU A 117 6.937 21.406 -7.083 1.00 0.55 H new ATOM 0 HB3 LEU A 117 7.278 19.688 -7.060 1.00 0.55 H new ATOM 0 HG LEU A 117 5.326 21.056 -5.153 1.00 0.50 H new ATOM 0 HD11 LEU A 117 3.572 20.021 -6.584 1.00 0.58 H new ATOM 0 HD12 LEU A 117 4.564 21.166 -7.518 1.00 0.58 H new ATOM 0 HD13 LEU A 117 4.832 19.414 -7.684 1.00 0.58 H new ATOM 0 HD21 LEU A 117 4.583 18.742 -4.694 1.00 0.53 H new ATOM 0 HD22 LEU A 117 5.832 18.120 -5.798 1.00 0.53 H new ATOM 0 HD23 LEU A 117 6.305 18.953 -4.298 1.00 0.53 H new ATOM 441 N LYS A 118 9.792 21.753 -6.620 1.00 0.59 N ATOM 442 CA LYS A 118 11.171 21.811 -7.208 1.00 0.69 C ATOM 443 C LYS A 118 12.225 21.720 -6.089 1.00 0.64 C ATOM 444 O LYS A 118 13.242 21.071 -6.236 1.00 0.73 O ATOM 445 CB LYS A 118 11.228 23.165 -7.953 1.00 0.83 C ATOM 446 CG LYS A 118 12.482 23.963 -7.562 1.00 0.99 C ATOM 447 CD LYS A 118 12.368 25.395 -8.097 1.00 1.35 C ATOM 448 CE LYS A 118 12.407 26.393 -6.932 1.00 1.51 C ATOM 449 NZ LYS A 118 10.978 26.629 -6.569 1.00 1.99 N1+ ATOM 0 H LYS A 118 9.201 22.557 -6.833 1.00 0.59 H new ATOM 0 HA LYS A 118 11.382 20.984 -7.886 1.00 0.69 H new ATOM 0 HB2 LYS A 118 11.225 22.991 -9.029 1.00 0.83 H new ATOM 0 HB3 LYS A 118 10.336 23.748 -7.722 1.00 0.83 H new ATOM 0 HG2 LYS A 118 12.593 23.977 -6.478 1.00 0.99 H new ATOM 0 HG3 LYS A 118 13.372 23.482 -7.967 1.00 0.99 H new ATOM 0 HD2 LYS A 118 13.184 25.600 -8.790 1.00 1.35 H new ATOM 0 HD3 LYS A 118 11.439 25.511 -8.656 1.00 1.35 H new ATOM 0 HE2 LYS A 118 12.966 25.990 -6.087 1.00 1.51 H new ATOM 0 HE3 LYS A 118 12.897 27.321 -7.225 1.00 1.51 H new ATOM 0 HZ1 LYS A 118 10.927 27.315 -5.789 1.00 1.99 H new ATOM 0 HZ2 LYS A 118 10.467 27.003 -7.394 1.00 1.99 H new ATOM 0 HZ3 LYS A 118 10.543 25.733 -6.270 1.00 1.99 H new ATOM 463 N ILE A 119 11.978 22.359 -4.971 1.00 0.68 N ATOM 464 CA ILE A 119 12.955 22.313 -3.835 1.00 0.74 C ATOM 465 C ILE A 119 13.006 20.907 -3.195 1.00 0.75 C ATOM 466 O ILE A 119 13.916 20.599 -2.452 1.00 0.85 O ATOM 467 CB ILE A 119 12.445 23.366 -2.837 1.00 0.98 C ATOM 468 CG1 ILE A 119 12.620 24.767 -3.437 1.00 1.22 C ATOM 469 CG2 ILE A 119 13.240 23.281 -1.530 1.00 1.08 C ATOM 470 CD1 ILE A 119 11.381 25.614 -3.139 1.00 1.06 C ATOM 0 H ILE A 119 11.140 22.912 -4.795 1.00 0.68 H new ATOM 0 HA ILE A 119 13.974 22.521 -4.162 1.00 0.74 H new ATOM 0 HB ILE A 119 11.391 23.177 -2.633 1.00 0.98 H new ATOM 0 HG12 ILE A 119 13.507 25.244 -3.020 1.00 1.22 H new ATOM 0 HG13 ILE A 119 12.773 24.695 -4.514 1.00 1.22 H new ATOM 0 HG21 ILE A 119 12.871 24.031 -0.830 1.00 1.08 H new ATOM 0 HG22 ILE A 119 13.120 22.289 -1.095 1.00 1.08 H new ATOM 0 HG23 ILE A 119 14.295 23.463 -1.734 1.00 1.08 H new ATOM 0 HD11 ILE A 119 11.509 26.608 -3.567 1.00 1.06 H new ATOM 0 HD12 ILE A 119 10.503 25.141 -3.577 1.00 1.06 H new ATOM 0 HD13 ILE A 119 11.248 25.697 -2.060 1.00 1.06 H new ATOM 482 N MET A 120 12.055 20.045 -3.482 1.00 0.85 N ATOM 483 CA MET A 120 12.088 18.667 -2.885 1.00 1.01 C ATOM 484 C MET A 120 13.301 17.885 -3.414 1.00 0.95 C ATOM 485 O MET A 120 13.917 17.118 -2.698 1.00 1.11 O ATOM 486 CB MET A 120 10.797 17.980 -3.342 1.00 1.17 C ATOM 487 CG MET A 120 9.577 18.707 -2.778 1.00 1.52 C ATOM 488 SD MET A 120 8.075 17.899 -3.384 1.00 1.88 S ATOM 489 CE MET A 120 7.044 18.236 -1.940 1.00 1.43 C ATOM 0 H MET A 120 11.264 20.233 -4.098 1.00 0.85 H new ATOM 0 HA MET A 120 12.167 18.709 -1.799 1.00 1.01 H new ATOM 0 HB2 MET A 120 10.750 17.968 -4.431 1.00 1.17 H new ATOM 0 HB3 MET A 120 10.794 16.941 -3.012 1.00 1.17 H new ATOM 0 HG2 MET A 120 9.600 18.690 -1.688 1.00 1.52 H new ATOM 0 HG3 MET A 120 9.589 19.754 -3.081 1.00 1.52 H new ATOM 0 HE1 MET A 120 5.993 18.133 -2.211 1.00 1.43 H new ATOM 0 HE2 MET A 120 7.286 17.528 -1.147 1.00 1.43 H new ATOM 0 HE3 MET A 120 7.230 19.251 -1.589 1.00 1.43 H new ATOM 499 N LEU A 121 13.637 18.071 -4.668 1.00 0.87 N ATOM 500 CA LEU A 121 14.801 17.340 -5.270 1.00 0.95 C ATOM 501 C LEU A 121 16.146 17.858 -4.730 1.00 0.87 C ATOM 502 O LEU A 121 17.175 17.285 -5.012 1.00 0.97 O ATOM 503 CB LEU A 121 14.699 17.594 -6.781 1.00 1.09 C ATOM 504 CG LEU A 121 14.298 16.301 -7.511 1.00 1.41 C ATOM 505 CD1 LEU A 121 15.429 15.274 -7.414 1.00 2.03 C ATOM 506 CD2 LEU A 121 13.026 15.715 -6.883 1.00 1.80 C ATOM 0 H LEU A 121 13.152 18.702 -5.306 1.00 0.87 H new ATOM 0 HA LEU A 121 14.767 16.279 -5.021 1.00 0.95 H new ATOM 0 HB2 LEU A 121 13.963 18.374 -6.977 1.00 1.09 H new ATOM 0 HB3 LEU A 121 15.655 17.954 -7.162 1.00 1.09 H new ATOM 0 HG LEU A 121 14.109 16.535 -8.559 1.00 1.41 H new ATOM 0 HD11 LEU A 121 15.137 14.361 -7.933 1.00 2.03 H new ATOM 0 HD12 LEU A 121 16.330 15.681 -7.873 1.00 2.03 H new ATOM 0 HD13 LEU A 121 15.626 15.048 -6.366 1.00 2.03 H new ATOM 0 HD21 LEU A 121 12.750 14.800 -7.407 1.00 1.80 H new ATOM 0 HD22 LEU A 121 13.209 15.491 -5.832 1.00 1.80 H new ATOM 0 HD23 LEU A 121 12.214 16.438 -6.964 1.00 1.80 H new ATOM 518 N GLN A 122 16.158 18.932 -3.970 1.00 0.82 N ATOM 519 CA GLN A 122 17.460 19.461 -3.435 1.00 0.95 C ATOM 520 C GLN A 122 18.277 18.346 -2.760 1.00 1.04 C ATOM 521 O GLN A 122 19.491 18.337 -2.826 1.00 1.19 O ATOM 522 CB GLN A 122 17.080 20.541 -2.415 1.00 1.14 C ATOM 523 CG GLN A 122 17.834 21.837 -2.735 1.00 1.42 C ATOM 524 CD GLN A 122 16.850 23.009 -2.800 1.00 1.85 C ATOM 525 OE1 GLN A 122 16.724 23.762 -1.857 1.00 2.44 O ATOM 526 NE2 GLN A 122 16.145 23.199 -3.879 1.00 2.28 N ATOM 0 H GLN A 122 15.330 19.462 -3.698 1.00 0.82 H new ATOM 0 HA GLN A 122 18.083 19.859 -4.236 1.00 0.95 H new ATOM 0 HB2 GLN A 122 16.005 20.718 -2.441 1.00 1.14 H new ATOM 0 HB3 GLN A 122 17.324 20.206 -1.407 1.00 1.14 H new ATOM 0 HG2 GLN A 122 18.589 22.027 -1.972 1.00 1.42 H new ATOM 0 HG3 GLN A 122 18.359 21.738 -3.685 1.00 1.42 H new ATOM 0 HE21 GLN A 122 16.249 22.568 -4.674 1.00 2.28 H new ATOM 0 HE22 GLN A 122 15.490 23.979 -3.929 1.00 2.28 H new ATOM 535 N ALA A 123 17.626 17.406 -2.116 1.00 1.09 N ATOM 536 CA ALA A 123 18.376 16.298 -1.445 1.00 1.33 C ATOM 537 C ALA A 123 18.645 15.141 -2.423 1.00 1.38 C ATOM 538 O ALA A 123 19.681 14.507 -2.366 1.00 1.62 O ATOM 539 CB ALA A 123 17.467 15.837 -0.300 1.00 1.45 C ATOM 0 H ALA A 123 16.611 17.359 -2.027 1.00 1.09 H new ATOM 0 HA ALA A 123 19.351 16.629 -1.088 1.00 1.33 H new ATOM 0 HB1 ALA A 123 17.949 15.023 0.242 1.00 1.45 H new ATOM 0 HB2 ALA A 123 17.288 16.670 0.380 1.00 1.45 H new ATOM 0 HB3 ALA A 123 16.517 15.490 -0.707 1.00 1.45 H new ATOM 545 N THR A 124 17.723 14.856 -3.313 1.00 1.29 N ATOM 546 CA THR A 124 17.934 13.729 -4.284 1.00 1.47 C ATOM 547 C THR A 124 18.795 14.178 -5.478 1.00 1.44 C ATOM 548 O THR A 124 19.574 13.410 -6.011 1.00 1.72 O ATOM 549 CB THR A 124 16.529 13.330 -4.755 1.00 1.56 C ATOM 550 OG1 THR A 124 15.635 13.321 -3.650 1.00 2.16 O ATOM 551 CG2 THR A 124 16.574 11.935 -5.379 1.00 1.92 C ATOM 0 H THR A 124 16.837 15.351 -3.410 1.00 1.29 H new ATOM 0 HA THR A 124 18.463 12.897 -3.819 1.00 1.47 H new ATOM 0 HB THR A 124 16.183 14.051 -5.495 1.00 1.56 H new ATOM 0 HG1 THR A 124 14.739 13.067 -3.956 1.00 2.16 H new ATOM 0 HG21 THR A 124 15.575 11.653 -5.713 1.00 1.92 H new ATOM 0 HG22 THR A 124 17.254 11.939 -6.231 1.00 1.92 H new ATOM 0 HG23 THR A 124 16.925 11.216 -4.638 1.00 1.92 H new ATOM 559 N GLY A 125 18.654 15.410 -5.903 1.00 1.26 N ATOM 560 CA GLY A 125 19.454 15.917 -7.060 1.00 1.32 C ATOM 561 C GLY A 125 18.666 17.012 -7.788 1.00 1.26 C ATOM 562 O GLY A 125 17.985 16.755 -8.761 1.00 1.63 O ATOM 0 H GLY A 125 18.014 16.091 -5.494 1.00 1.26 H new ATOM 0 HA2 GLY A 125 20.408 16.312 -6.711 1.00 1.32 H new ATOM 0 HA3 GLY A 125 19.679 15.100 -7.745 1.00 1.32 H new ATOM 566 N GLU A 126 18.755 18.232 -7.317 1.00 1.02 N ATOM 567 CA GLU A 126 18.012 19.355 -7.973 1.00 1.08 C ATOM 568 C GLU A 126 18.870 19.985 -9.083 1.00 0.89 C ATOM 569 O GLU A 126 19.636 20.903 -8.852 1.00 0.87 O ATOM 570 CB GLU A 126 17.740 20.361 -6.847 1.00 1.34 C ATOM 571 CG GLU A 126 16.235 20.628 -6.733 1.00 1.45 C ATOM 572 CD GLU A 126 15.868 21.908 -7.489 1.00 1.61 C ATOM 573 OE1 GLU A 126 15.726 21.838 -8.698 1.00 2.16 O ATOM 574 OE2 GLU A 126 15.727 22.935 -6.844 1.00 2.09 O ATOM 0 H GLU A 126 19.311 18.500 -6.505 1.00 1.02 H new ATOM 0 HA GLU A 126 17.089 19.023 -8.447 1.00 1.08 H new ATOM 0 HB2 GLU A 126 18.121 19.973 -5.902 1.00 1.34 H new ATOM 0 HB3 GLU A 126 18.269 21.293 -7.046 1.00 1.34 H new ATOM 0 HG2 GLU A 126 15.677 19.784 -7.138 1.00 1.45 H new ATOM 0 HG3 GLU A 126 15.953 20.722 -5.684 1.00 1.45 H new ATOM 581 N THR A 127 18.743 19.486 -10.287 1.00 1.09 N ATOM 582 CA THR A 127 19.539 20.034 -11.434 1.00 1.21 C ATOM 583 C THR A 127 18.811 19.727 -12.754 1.00 1.29 C ATOM 584 O THR A 127 19.368 19.151 -13.670 1.00 1.60 O ATOM 585 CB THR A 127 20.902 19.321 -11.355 1.00 1.57 C ATOM 586 OG1 THR A 127 21.781 19.876 -12.326 1.00 1.91 O ATOM 587 CG2 THR A 127 20.735 17.815 -11.608 1.00 2.18 C ATOM 0 H THR A 127 18.118 18.717 -10.529 1.00 1.09 H new ATOM 0 HA THR A 127 19.664 21.116 -11.390 1.00 1.21 H new ATOM 0 HB THR A 127 21.319 19.462 -10.358 1.00 1.57 H new ATOM 0 HG1 THR A 127 21.407 19.740 -13.222 1.00 1.91 H new ATOM 0 HG21 THR A 127 21.707 17.326 -11.549 1.00 2.18 H new ATOM 0 HG22 THR A 127 20.069 17.391 -10.856 1.00 2.18 H new ATOM 0 HG23 THR A 127 20.310 17.658 -12.599 1.00 2.18 H new ATOM 595 N ILE A 128 17.557 20.100 -12.846 1.00 1.08 N ATOM 596 CA ILE A 128 16.773 19.820 -14.090 1.00 1.20 C ATOM 597 C ILE A 128 15.946 21.048 -14.517 1.00 1.18 C ATOM 598 O ILE A 128 15.892 22.046 -13.821 1.00 1.15 O ATOM 599 CB ILE A 128 15.866 18.642 -13.705 1.00 1.12 C ATOM 600 CG1 ILE A 128 15.471 17.869 -14.964 1.00 1.32 C ATOM 601 CG2 ILE A 128 14.603 19.156 -13.003 1.00 1.62 C ATOM 602 CD1 ILE A 128 15.720 16.373 -14.755 1.00 2.03 C ATOM 0 H ILE A 128 17.042 20.587 -12.112 1.00 1.08 H new ATOM 0 HA ILE A 128 17.412 19.590 -14.942 1.00 1.20 H new ATOM 0 HB ILE A 128 16.408 17.984 -13.025 1.00 1.12 H new ATOM 0 HG12 ILE A 128 14.420 18.043 -15.194 1.00 1.32 H new ATOM 0 HG13 ILE A 128 16.047 18.227 -15.817 1.00 1.32 H new ATOM 0 HG21 ILE A 128 13.967 18.312 -12.734 1.00 1.62 H new ATOM 0 HG22 ILE A 128 14.884 19.700 -12.101 1.00 1.62 H new ATOM 0 HG23 ILE A 128 14.059 19.821 -13.674 1.00 1.62 H new ATOM 0 HD11 ILE A 128 15.437 15.828 -15.655 1.00 2.03 H new ATOM 0 HD12 ILE A 128 16.777 16.206 -14.547 1.00 2.03 H new ATOM 0 HD13 ILE A 128 15.124 16.019 -13.914 1.00 2.03 H new ATOM 614 N THR A 129 15.305 20.974 -15.661 1.00 1.34 N ATOM 615 CA THR A 129 14.478 22.126 -16.157 1.00 1.42 C ATOM 616 C THR A 129 13.147 22.213 -15.392 1.00 1.16 C ATOM 617 O THR A 129 12.809 21.344 -14.609 1.00 0.97 O ATOM 618 CB THR A 129 14.216 21.845 -17.648 1.00 1.64 C ATOM 619 OG1 THR A 129 15.156 20.899 -18.145 1.00 2.23 O ATOM 620 CG2 THR A 129 14.345 23.144 -18.442 1.00 2.28 C ATOM 0 H THR A 129 15.319 20.161 -16.277 1.00 1.34 H new ATOM 0 HA THR A 129 14.994 23.075 -16.007 1.00 1.42 H new ATOM 0 HB THR A 129 13.210 21.440 -17.757 1.00 1.64 H new ATOM 0 HG1 THR A 129 14.978 20.728 -19.093 1.00 2.23 H new ATOM 0 HG21 THR A 129 14.160 22.945 -19.498 1.00 2.28 H new ATOM 0 HG22 THR A 129 13.617 23.868 -18.076 1.00 2.28 H new ATOM 0 HG23 THR A 129 15.350 23.547 -18.320 1.00 2.28 H new ATOM 628 N GLU A 130 12.390 23.260 -15.617 1.00 1.31 N ATOM 629 CA GLU A 130 11.078 23.420 -14.909 1.00 1.28 C ATOM 630 C GLU A 130 10.062 22.378 -15.397 1.00 1.16 C ATOM 631 O GLU A 130 9.340 21.794 -14.610 1.00 1.21 O ATOM 632 CB GLU A 130 10.604 24.833 -15.263 1.00 1.69 C ATOM 633 CG GLU A 130 9.224 25.086 -14.642 1.00 2.05 C ATOM 634 CD GLU A 130 9.263 26.360 -13.794 1.00 2.43 C ATOM 635 OE1 GLU A 130 9.122 27.431 -14.360 1.00 2.70 O ATOM 636 OE2 GLU A 130 9.433 26.241 -12.592 1.00 3.03 O ATOM 0 H GLU A 130 12.624 24.014 -16.263 1.00 1.31 H new ATOM 0 HA GLU A 130 11.179 23.276 -13.833 1.00 1.28 H new ATOM 0 HB2 GLU A 130 11.319 25.569 -14.896 1.00 1.69 H new ATOM 0 HB3 GLU A 130 10.553 24.949 -16.346 1.00 1.69 H new ATOM 0 HG2 GLU A 130 8.474 25.183 -15.427 1.00 2.05 H new ATOM 0 HG3 GLU A 130 8.931 24.236 -14.025 1.00 2.05 H new ATOM 643 N ASP A 131 9.997 22.149 -16.687 1.00 1.18 N ATOM 644 CA ASP A 131 9.021 21.147 -17.232 1.00 1.19 C ATOM 645 C ASP A 131 9.210 19.777 -16.559 1.00 1.07 C ATOM 646 O ASP A 131 8.248 19.082 -16.284 1.00 1.14 O ATOM 647 CB ASP A 131 9.293 21.068 -18.744 1.00 1.44 C ATOM 648 CG ASP A 131 10.790 20.880 -19.021 1.00 1.48 C ATOM 649 OD1 ASP A 131 11.473 21.880 -19.160 1.00 2.07 O ATOM 650 OD2 ASP A 131 11.223 19.743 -19.097 1.00 1.91 O ATOM 0 H ASP A 131 10.577 22.612 -17.387 1.00 1.18 H new ATOM 0 HA ASP A 131 7.991 21.445 -17.034 1.00 1.19 H new ATOM 0 HB2 ASP A 131 8.732 20.239 -19.176 1.00 1.44 H new ATOM 0 HB3 ASP A 131 8.941 21.978 -19.229 1.00 1.44 H new ATOM 655 N ASP A 132 10.431 19.391 -16.274 1.00 1.00 N ATOM 656 CA ASP A 132 10.662 18.076 -15.601 1.00 1.03 C ATOM 657 C ASP A 132 10.022 18.079 -14.203 1.00 0.88 C ATOM 658 O ASP A 132 9.523 17.070 -13.741 1.00 1.03 O ATOM 659 CB ASP A 132 12.180 17.936 -15.500 1.00 1.13 C ATOM 660 CG ASP A 132 12.529 16.554 -14.947 1.00 1.39 C ATOM 661 OD1 ASP A 132 12.655 15.635 -15.739 1.00 1.99 O ATOM 662 OD2 ASP A 132 12.668 16.439 -13.740 1.00 1.79 O ATOM 0 H ASP A 132 11.274 19.928 -16.478 1.00 1.00 H new ATOM 0 HA ASP A 132 10.218 17.247 -16.152 1.00 1.03 H new ATOM 0 HB2 ASP A 132 12.634 18.072 -16.481 1.00 1.13 H new ATOM 0 HB3 ASP A 132 12.585 18.712 -14.851 1.00 1.13 H new ATOM 667 N ILE A 133 10.013 19.211 -13.539 1.00 0.75 N ATOM 668 CA ILE A 133 9.378 19.279 -12.181 1.00 0.77 C ATOM 669 C ILE A 133 7.874 18.996 -12.319 1.00 0.70 C ATOM 670 O ILE A 133 7.276 18.332 -11.492 1.00 0.82 O ATOM 671 CB ILE A 133 9.609 20.713 -11.665 1.00 0.87 C ATOM 672 CG1 ILE A 133 11.078 21.138 -11.850 1.00 0.96 C ATOM 673 CG2 ILE A 133 9.258 20.781 -10.175 1.00 1.06 C ATOM 674 CD1 ILE A 133 12.021 20.028 -11.373 1.00 1.00 C ATOM 0 H ILE A 133 10.415 20.086 -13.875 1.00 0.75 H new ATOM 0 HA ILE A 133 9.801 18.548 -11.492 1.00 0.77 H new ATOM 0 HB ILE A 133 8.973 21.388 -12.238 1.00 0.87 H new ATOM 0 HG12 ILE A 133 11.269 21.360 -12.900 1.00 0.96 H new ATOM 0 HG13 ILE A 133 11.271 22.053 -11.290 1.00 0.96 H new ATOM 0 HG21 ILE A 133 9.421 21.795 -9.809 1.00 1.06 H new ATOM 0 HG22 ILE A 133 8.212 20.508 -10.035 1.00 1.06 H new ATOM 0 HG23 ILE A 133 9.891 20.089 -9.620 1.00 1.06 H new ATOM 0 HD11 ILE A 133 13.055 20.345 -11.511 1.00 1.00 H new ATOM 0 HD12 ILE A 133 11.841 19.826 -10.317 1.00 1.00 H new ATOM 0 HD13 ILE A 133 11.839 19.122 -11.951 1.00 1.00 H new ATOM 686 N GLU A 134 7.269 19.489 -13.374 1.00 0.61 N ATOM 687 CA GLU A 134 5.809 19.252 -13.603 1.00 0.64 C ATOM 688 C GLU A 134 5.539 17.770 -13.927 1.00 0.64 C ATOM 689 O GLU A 134 4.439 17.283 -13.734 1.00 0.76 O ATOM 690 CB GLU A 134 5.451 20.139 -14.800 1.00 0.73 C ATOM 691 CG GLU A 134 4.857 21.459 -14.300 1.00 0.89 C ATOM 692 CD GLU A 134 3.340 21.319 -14.152 1.00 1.21 C ATOM 693 OE1 GLU A 134 2.911 20.720 -13.179 1.00 1.86 O ATOM 694 OE2 GLU A 134 2.634 21.813 -15.014 1.00 1.87 O ATOM 0 H GLU A 134 7.729 20.050 -14.091 1.00 0.61 H new ATOM 0 HA GLU A 134 5.213 19.488 -12.721 1.00 0.64 H new ATOM 0 HB2 GLU A 134 6.340 20.333 -15.401 1.00 0.73 H new ATOM 0 HB3 GLU A 134 4.736 19.627 -15.444 1.00 0.73 H new ATOM 0 HG2 GLU A 134 5.302 21.730 -13.342 1.00 0.89 H new ATOM 0 HG3 GLU A 134 5.091 22.262 -14.999 1.00 0.89 H new ATOM 701 N GLU A 135 6.530 17.047 -14.408 1.00 0.59 N ATOM 702 CA GLU A 135 6.322 15.597 -14.730 1.00 0.67 C ATOM 703 C GLU A 135 5.840 14.847 -13.483 1.00 0.74 C ATOM 704 O GLU A 135 4.982 13.991 -13.561 1.00 0.91 O ATOM 705 CB GLU A 135 7.691 15.072 -15.181 1.00 0.72 C ATOM 706 CG GLU A 135 7.578 14.458 -16.582 1.00 1.16 C ATOM 707 CD GLU A 135 6.514 13.355 -16.589 1.00 1.56 C ATOM 708 OE1 GLU A 135 6.764 12.309 -16.013 1.00 2.29 O ATOM 709 OE2 GLU A 135 5.466 13.577 -17.170 1.00 2.03 O ATOM 0 H GLU A 135 7.470 17.399 -14.590 1.00 0.59 H new ATOM 0 HA GLU A 135 5.567 15.455 -15.503 1.00 0.67 H new ATOM 0 HB2 GLU A 135 8.418 15.884 -15.188 1.00 0.72 H new ATOM 0 HB3 GLU A 135 8.055 14.325 -14.475 1.00 0.72 H new ATOM 0 HG2 GLU A 135 7.317 15.230 -17.306 1.00 1.16 H new ATOM 0 HG3 GLU A 135 8.541 14.047 -16.886 1.00 1.16 H new ATOM 716 N LEU A 136 6.374 15.179 -12.331 1.00 0.73 N ATOM 717 CA LEU A 136 5.929 14.505 -11.073 1.00 0.87 C ATOM 718 C LEU A 136 4.688 15.223 -10.512 1.00 0.81 C ATOM 719 O LEU A 136 3.878 14.628 -9.825 1.00 1.00 O ATOM 720 CB LEU A 136 7.108 14.623 -10.089 1.00 0.99 C ATOM 721 CG LEU A 136 8.375 13.955 -10.652 1.00 1.09 C ATOM 722 CD1 LEU A 136 9.312 13.576 -9.497 1.00 1.74 C ATOM 723 CD2 LEU A 136 8.006 12.691 -11.432 1.00 1.75 C ATOM 0 H LEU A 136 7.098 15.887 -12.209 1.00 0.73 H new ATOM 0 HA LEU A 136 5.659 13.463 -11.243 1.00 0.87 H new ATOM 0 HB2 LEU A 136 7.309 15.674 -9.884 1.00 0.99 H new ATOM 0 HB3 LEU A 136 6.840 14.158 -9.140 1.00 0.99 H new ATOM 0 HG LEU A 136 8.874 14.657 -11.321 1.00 1.09 H new ATOM 0 HD11 LEU A 136 10.209 13.103 -9.896 1.00 1.74 H new ATOM 0 HD12 LEU A 136 9.590 14.474 -8.945 1.00 1.74 H new ATOM 0 HD13 LEU A 136 8.803 12.882 -8.828 1.00 1.74 H new ATOM 0 HD21 LEU A 136 8.911 12.228 -11.825 1.00 1.75 H new ATOM 0 HD22 LEU A 136 7.498 11.990 -10.770 1.00 1.75 H new ATOM 0 HD23 LEU A 136 7.345 12.953 -12.258 1.00 1.75 H new ATOM 735 N MET A 137 4.536 16.502 -10.799 1.00 0.67 N ATOM 736 CA MET A 137 3.352 17.267 -10.287 1.00 0.71 C ATOM 737 C MET A 137 2.042 16.647 -10.787 1.00 0.68 C ATOM 738 O MET A 137 1.113 16.470 -10.024 1.00 0.70 O ATOM 739 CB MET A 137 3.508 18.688 -10.843 1.00 0.82 C ATOM 740 CG MET A 137 3.077 19.710 -9.786 1.00 0.99 C ATOM 741 SD MET A 137 1.267 19.833 -9.751 1.00 0.94 S ATOM 742 CE MET A 137 1.124 20.717 -8.175 1.00 0.53 C ATOM 0 H MET A 137 5.185 17.046 -11.367 1.00 0.67 H new ATOM 0 HA MET A 137 3.313 17.254 -9.198 1.00 0.71 H new ATOM 0 HB2 MET A 137 4.545 18.864 -11.131 1.00 0.82 H new ATOM 0 HB3 MET A 137 2.903 18.805 -11.742 1.00 0.82 H new ATOM 0 HG2 MET A 137 3.449 19.412 -8.806 1.00 0.99 H new ATOM 0 HG3 MET A 137 3.512 20.684 -10.010 1.00 0.99 H new ATOM 0 HE1 MET A 137 0.336 20.264 -7.574 1.00 0.53 H new ATOM 0 HE2 MET A 137 2.070 20.657 -7.637 1.00 0.53 H new ATOM 0 HE3 MET A 137 0.880 21.762 -8.365 1.00 0.53 H new ATOM 752 N LYS A 138 1.955 16.315 -12.057 1.00 0.76 N ATOM 753 CA LYS A 138 0.688 15.703 -12.585 1.00 0.82 C ATOM 754 C LYS A 138 0.345 14.431 -11.796 1.00 0.72 C ATOM 755 O LYS A 138 -0.810 14.160 -11.524 1.00 0.84 O ATOM 756 CB LYS A 138 0.937 15.388 -14.071 1.00 0.99 C ATOM 757 CG LYS A 138 2.206 14.540 -14.248 1.00 1.57 C ATOM 758 CD LYS A 138 1.831 13.128 -14.714 1.00 2.09 C ATOM 759 CE LYS A 138 2.784 12.686 -15.834 1.00 2.74 C ATOM 760 NZ LYS A 138 3.824 11.850 -15.165 1.00 3.43 N1+ ATOM 0 H LYS A 138 2.698 16.439 -12.745 1.00 0.76 H new ATOM 0 HA LYS A 138 -0.159 16.381 -12.476 1.00 0.82 H new ATOM 0 HB2 LYS A 138 0.079 14.856 -14.483 1.00 0.99 H new ATOM 0 HB3 LYS A 138 1.035 16.317 -14.632 1.00 0.99 H new ATOM 0 HG2 LYS A 138 2.868 15.009 -14.976 1.00 1.57 H new ATOM 0 HG3 LYS A 138 2.753 14.488 -13.307 1.00 1.57 H new ATOM 0 HD2 LYS A 138 1.888 12.431 -13.878 1.00 2.09 H new ATOM 0 HD3 LYS A 138 0.801 13.113 -15.072 1.00 2.09 H new ATOM 0 HE2 LYS A 138 2.255 12.117 -16.598 1.00 2.74 H new ATOM 0 HE3 LYS A 138 3.232 13.547 -16.331 1.00 2.74 H new ATOM 0 HZ1 LYS A 138 4.675 11.811 -15.762 1.00 3.43 H new ATOM 0 HZ2 LYS A 138 4.066 12.268 -14.244 1.00 3.43 H new ATOM 0 HZ3 LYS A 138 3.457 10.888 -15.022 1.00 3.43 H new ATOM 774 N ASP A 139 1.336 13.666 -11.399 1.00 0.75 N ATOM 775 CA ASP A 139 1.056 12.436 -10.596 1.00 0.78 C ATOM 776 C ASP A 139 0.562 12.851 -9.200 1.00 0.70 C ATOM 777 O ASP A 139 -0.274 12.197 -8.610 1.00 0.81 O ATOM 778 CB ASP A 139 2.392 11.685 -10.505 1.00 0.97 C ATOM 779 CG ASP A 139 2.841 11.240 -11.899 1.00 1.16 C ATOM 780 OD1 ASP A 139 2.130 10.462 -12.513 1.00 1.66 O ATOM 781 OD2 ASP A 139 3.893 11.682 -12.325 1.00 1.69 O ATOM 0 H ASP A 139 2.321 13.841 -11.596 1.00 0.75 H new ATOM 0 HA ASP A 139 0.288 11.806 -11.045 1.00 0.78 H new ATOM 0 HB2 ASP A 139 3.150 12.328 -10.058 1.00 0.97 H new ATOM 0 HB3 ASP A 139 2.287 10.817 -9.854 1.00 0.97 H new ATOM 786 N GLY A 140 1.065 13.951 -8.683 1.00 0.64 N ATOM 787 CA GLY A 140 0.618 14.440 -7.343 1.00 0.62 C ATOM 788 C GLY A 140 -0.767 15.075 -7.486 1.00 0.57 C ATOM 789 O GLY A 140 -1.718 14.661 -6.853 1.00 0.65 O ATOM 0 H GLY A 140 1.770 14.532 -9.138 1.00 0.64 H new ATOM 0 HA2 GLY A 140 0.583 13.614 -6.632 1.00 0.62 H new ATOM 0 HA3 GLY A 140 1.328 15.168 -6.951 1.00 0.62 H new ATOM 793 N ASP A 141 -0.885 16.071 -8.329 1.00 0.56 N ATOM 794 CA ASP A 141 -2.204 16.736 -8.539 1.00 0.56 C ATOM 795 C ASP A 141 -2.748 16.400 -9.932 1.00 0.58 C ATOM 796 O ASP A 141 -2.448 17.070 -10.903 1.00 0.64 O ATOM 797 CB ASP A 141 -1.924 18.242 -8.428 1.00 0.60 C ATOM 798 CG ASP A 141 -3.232 19.020 -8.215 1.00 0.75 C ATOM 799 OD1 ASP A 141 -4.291 18.478 -8.496 1.00 1.14 O ATOM 800 OD2 ASP A 141 -3.151 20.152 -7.777 1.00 1.23 O ATOM 0 H ASP A 141 -0.118 16.453 -8.883 1.00 0.56 H new ATOM 0 HA ASP A 141 -2.947 16.406 -7.813 1.00 0.56 H new ATOM 0 HB2 ASP A 141 -1.243 18.431 -7.598 1.00 0.60 H new ATOM 0 HB3 ASP A 141 -1.429 18.593 -9.333 1.00 0.60 H new ATOM 805 N LYS A 142 -3.559 15.380 -10.034 1.00 0.62 N ATOM 806 CA LYS A 142 -4.138 15.019 -11.366 1.00 0.70 C ATOM 807 C LYS A 142 -5.188 16.061 -11.779 1.00 0.79 C ATOM 808 O LYS A 142 -5.457 16.249 -12.951 1.00 0.92 O ATOM 809 CB LYS A 142 -4.778 13.639 -11.180 1.00 0.79 C ATOM 810 CG LYS A 142 -3.982 12.601 -11.977 1.00 0.88 C ATOM 811 CD LYS A 142 -3.785 11.340 -11.130 1.00 1.37 C ATOM 812 CE LYS A 142 -2.485 11.455 -10.328 1.00 1.79 C ATOM 813 NZ LYS A 142 -2.912 11.610 -8.907 1.00 2.44 N1+ ATOM 0 H LYS A 142 -3.846 14.783 -9.258 1.00 0.62 H new ATOM 0 HA LYS A 142 -3.382 14.999 -12.151 1.00 0.70 H new ATOM 0 HB2 LYS A 142 -4.792 13.371 -10.124 1.00 0.79 H new ATOM 0 HB3 LYS A 142 -5.814 13.657 -11.518 1.00 0.79 H new ATOM 0 HG2 LYS A 142 -4.509 12.353 -12.898 1.00 0.88 H new ATOM 0 HG3 LYS A 142 -3.014 13.013 -12.264 1.00 0.88 H new ATOM 0 HD2 LYS A 142 -4.630 11.208 -10.454 1.00 1.37 H new ATOM 0 HD3 LYS A 142 -3.751 10.460 -11.773 1.00 1.37 H new ATOM 0 HE2 LYS A 142 -1.863 10.569 -10.458 1.00 1.79 H new ATOM 0 HE3 LYS A 142 -1.894 12.310 -10.657 1.00 1.79 H new ATOM 0 HZ1 LYS A 142 -2.073 11.626 -8.292 1.00 2.44 H new ATOM 0 HZ2 LYS A 142 -3.439 12.500 -8.798 1.00 2.44 H new ATOM 0 HZ3 LYS A 142 -3.522 10.812 -8.639 1.00 2.44 H new ATOM 827 N ASN A 143 -5.769 16.751 -10.824 1.00 0.80 N ATOM 828 CA ASN A 143 -6.787 17.796 -11.159 1.00 0.95 C ATOM 829 C ASN A 143 -6.089 19.051 -11.702 1.00 0.92 C ATOM 830 O ASN A 143 -6.673 19.824 -12.440 1.00 1.08 O ATOM 831 CB ASN A 143 -7.503 18.123 -9.838 1.00 1.07 C ATOM 832 CG ASN A 143 -7.936 16.835 -9.128 1.00 1.36 C ATOM 833 OD1 ASN A 143 -8.661 16.035 -9.682 1.00 1.95 O ATOM 834 ND2 ASN A 143 -7.518 16.603 -7.914 1.00 1.70 N ATOM 0 H ASN A 143 -5.581 16.635 -9.828 1.00 0.80 H new ATOM 0 HA ASN A 143 -7.486 17.449 -11.920 1.00 0.95 H new ATOM 0 HB2 ASN A 143 -6.840 18.697 -9.191 1.00 1.07 H new ATOM 0 HB3 ASN A 143 -8.375 18.747 -10.035 1.00 1.07 H new ATOM 0 HD21 ASN A 143 -7.801 15.750 -7.432 1.00 1.70 H new ATOM 0 HD22 ASN A 143 -6.909 17.275 -7.447 1.00 1.70 H new ATOM 841 N ASN A 144 -4.842 19.259 -11.331 1.00 0.86 N ATOM 842 CA ASN A 144 -4.083 20.459 -11.801 1.00 0.93 C ATOM 843 C ASN A 144 -4.771 21.747 -11.319 1.00 1.03 C ATOM 844 O ASN A 144 -4.769 22.756 -12.001 1.00 1.71 O ATOM 845 CB ASN A 144 -4.078 20.364 -13.332 1.00 1.08 C ATOM 846 CG ASN A 144 -2.641 20.463 -13.845 1.00 1.49 C ATOM 847 OD1 ASN A 144 -2.072 19.481 -14.276 1.00 2.18 O ATOM 848 ND2 ASN A 144 -2.025 21.610 -13.817 1.00 1.97 N ATOM 0 H ASN A 144 -4.316 18.638 -10.715 1.00 0.86 H new ATOM 0 HA ASN A 144 -3.068 20.487 -11.406 1.00 0.93 H new ATOM 0 HB2 ASN A 144 -4.525 19.422 -13.650 1.00 1.08 H new ATOM 0 HB3 ASN A 144 -4.683 21.164 -13.758 1.00 1.08 H new ATOM 0 HD21 ASN A 144 -1.066 21.682 -14.157 1.00 1.97 H new ATOM 0 HD22 ASN A 144 -2.502 22.436 -13.455 1.00 1.97 H new ATOM 855 N ASP A 145 -5.351 21.717 -10.139 1.00 0.88 N ATOM 856 CA ASP A 145 -6.035 22.938 -9.597 1.00 0.92 C ATOM 857 C ASP A 145 -5.002 23.973 -9.117 1.00 0.91 C ATOM 858 O ASP A 145 -5.299 25.150 -9.020 1.00 1.07 O ATOM 859 CB ASP A 145 -6.928 22.456 -8.433 1.00 0.93 C ATOM 860 CG ASP A 145 -6.155 21.527 -7.488 1.00 1.40 C ATOM 861 OD1 ASP A 145 -5.362 22.026 -6.708 1.00 1.89 O ATOM 862 OD2 ASP A 145 -6.380 20.331 -7.554 1.00 2.06 O ATOM 0 H ASP A 145 -5.380 20.900 -9.529 1.00 0.88 H new ATOM 0 HA ASP A 145 -6.632 23.431 -10.364 1.00 0.92 H new ATOM 0 HB2 ASP A 145 -7.301 23.316 -7.877 1.00 0.93 H new ATOM 0 HB3 ASP A 145 -7.797 21.933 -8.831 1.00 0.93 H new ATOM 867 N GLY A 146 -3.791 23.552 -8.836 1.00 0.84 N ATOM 868 CA GLY A 146 -2.742 24.519 -8.385 1.00 0.92 C ATOM 869 C GLY A 146 -2.368 24.276 -6.916 1.00 0.66 C ATOM 870 O GLY A 146 -1.812 25.143 -6.270 1.00 0.74 O ATOM 0 H GLY A 146 -3.485 22.581 -8.900 1.00 0.84 H new ATOM 0 HA2 GLY A 146 -1.856 24.419 -9.011 1.00 0.92 H new ATOM 0 HA3 GLY A 146 -3.105 25.539 -8.508 1.00 0.92 H new ATOM 874 N ARG A 147 -2.656 23.111 -6.383 1.00 0.56 N ATOM 875 CA ARG A 147 -2.301 22.832 -4.958 1.00 0.54 C ATOM 876 C ARG A 147 -2.301 21.325 -4.689 1.00 0.46 C ATOM 877 O ARG A 147 -3.249 20.625 -5.001 1.00 0.45 O ATOM 878 CB ARG A 147 -3.389 23.520 -4.126 1.00 0.77 C ATOM 879 CG ARG A 147 -2.835 23.866 -2.743 1.00 1.39 C ATOM 880 CD ARG A 147 -2.569 25.370 -2.654 1.00 1.79 C ATOM 881 NE ARG A 147 -1.505 25.509 -1.621 1.00 2.55 N ATOM 882 CZ ARG A 147 -1.506 26.530 -0.813 1.00 2.87 C ATOM 883 NH1 ARG A 147 -2.300 26.546 0.219 1.00 3.10 N ATOM 884 NH2 ARG A 147 -0.714 27.536 -1.043 1.00 3.37 N1+ ATOM 0 H ARG A 147 -3.120 22.346 -6.873 1.00 0.56 H new ATOM 0 HA ARG A 147 -1.305 23.199 -4.711 1.00 0.54 H new ATOM 0 HB2 ARG A 147 -3.728 24.425 -4.630 1.00 0.77 H new ATOM 0 HB3 ARG A 147 -4.255 22.865 -4.029 1.00 0.77 H new ATOM 0 HG2 ARG A 147 -3.544 23.566 -1.971 1.00 1.39 H new ATOM 0 HG3 ARG A 147 -1.914 23.313 -2.561 1.00 1.39 H new ATOM 0 HD2 ARG A 147 -2.243 25.771 -3.614 1.00 1.79 H new ATOM 0 HD3 ARG A 147 -3.469 25.915 -2.370 1.00 1.79 H new ATOM 0 HE ARG A 147 -0.773 24.802 -1.546 1.00 2.55 H new ATOM 0 HH11 ARG A 147 -2.923 25.758 0.396 1.00 3.10 H new ATOM 0 HH12 ARG A 147 -2.299 27.347 0.851 1.00 3.10 H new ATOM 0 HH21 ARG A 147 -0.095 27.523 -1.854 1.00 3.37 H new ATOM 0 HH22 ARG A 147 -0.712 28.338 -0.413 1.00 3.37 H new ATOM 898 N ILE A 148 -1.248 20.821 -4.104 1.00 0.49 N ATOM 899 CA ILE A 148 -1.188 19.360 -3.809 1.00 0.44 C ATOM 900 C ILE A 148 -1.766 19.079 -2.421 1.00 0.46 C ATOM 901 O ILE A 148 -1.445 19.744 -1.454 1.00 0.63 O ATOM 902 CB ILE A 148 0.294 18.984 -3.877 1.00 0.46 C ATOM 903 CG1 ILE A 148 0.820 19.243 -5.292 1.00 0.56 C ATOM 904 CG2 ILE A 148 0.459 17.499 -3.542 1.00 0.47 C ATOM 905 CD1 ILE A 148 2.278 18.790 -5.394 1.00 0.63 C ATOM 0 H ILE A 148 -0.428 21.356 -3.818 1.00 0.49 H new ATOM 0 HA ILE A 148 -1.774 18.774 -4.517 1.00 0.44 H new ATOM 0 HB ILE A 148 0.854 19.585 -3.161 1.00 0.46 H new ATOM 0 HG12 ILE A 148 0.211 18.707 -6.020 1.00 0.56 H new ATOM 0 HG13 ILE A 148 0.742 20.304 -5.531 1.00 0.56 H new ATOM 0 HG21 ILE A 148 1.514 17.230 -3.590 1.00 0.47 H new ATOM 0 HG22 ILE A 148 0.082 17.309 -2.537 1.00 0.47 H new ATOM 0 HG23 ILE A 148 -0.101 16.900 -4.260 1.00 0.47 H new ATOM 0 HD11 ILE A 148 2.647 18.976 -6.402 1.00 0.63 H new ATOM 0 HD12 ILE A 148 2.883 19.346 -4.678 1.00 0.63 H new ATOM 0 HD13 ILE A 148 2.344 17.724 -5.175 1.00 0.63 H new ATOM 917 N ASP A 149 -2.623 18.098 -2.324 1.00 0.48 N ATOM 918 CA ASP A 149 -3.244 17.758 -1.012 1.00 0.53 C ATOM 919 C ASP A 149 -2.588 16.504 -0.420 1.00 0.53 C ATOM 920 O ASP A 149 -1.831 15.814 -1.080 1.00 0.63 O ATOM 921 CB ASP A 149 -4.720 17.488 -1.329 1.00 0.58 C ATOM 922 CG ASP A 149 -5.348 18.712 -2.005 1.00 1.05 C ATOM 923 OD1 ASP A 149 -5.235 18.821 -3.215 1.00 1.84 O ATOM 924 OD2 ASP A 149 -5.936 19.512 -1.302 1.00 1.65 O ATOM 0 H ASP A 149 -2.921 17.513 -3.105 1.00 0.48 H new ATOM 0 HA ASP A 149 -3.121 18.557 -0.281 1.00 0.53 H new ATOM 0 HB2 ASP A 149 -4.806 16.619 -1.981 1.00 0.58 H new ATOM 0 HB3 ASP A 149 -5.260 17.253 -0.412 1.00 0.58 H new ATOM 929 N TYR A 150 -2.885 16.203 0.818 1.00 0.58 N ATOM 930 CA TYR A 150 -2.297 14.990 1.469 1.00 0.60 C ATOM 931 C TYR A 150 -2.897 13.715 0.854 1.00 0.59 C ATOM 932 O TYR A 150 -2.205 12.737 0.638 1.00 0.63 O ATOM 933 CB TYR A 150 -2.674 15.128 2.955 1.00 0.73 C ATOM 934 CG TYR A 150 -2.785 13.767 3.608 1.00 0.72 C ATOM 935 CD1 TYR A 150 -1.634 13.112 4.059 1.00 1.15 C ATOM 936 CD2 TYR A 150 -4.039 13.165 3.762 1.00 1.22 C ATOM 937 CE1 TYR A 150 -1.738 11.856 4.668 1.00 1.43 C ATOM 938 CE2 TYR A 150 -4.144 11.910 4.371 1.00 1.56 C ATOM 939 CZ TYR A 150 -2.993 11.253 4.823 1.00 1.48 C ATOM 940 OH TYR A 150 -3.098 10.013 5.420 1.00 1.96 O ATOM 0 H TYR A 150 -3.512 16.747 1.410 1.00 0.58 H new ATOM 0 HA TYR A 150 -1.218 14.916 1.332 1.00 0.60 H new ATOM 0 HB2 TYR A 150 -1.922 15.725 3.472 1.00 0.73 H new ATOM 0 HB3 TYR A 150 -3.621 15.659 3.047 1.00 0.73 H new ATOM 0 HD1 TYR A 150 -0.666 13.575 3.937 1.00 1.15 H new ATOM 0 HD2 TYR A 150 -4.927 13.670 3.410 1.00 1.22 H new ATOM 0 HE1 TYR A 150 -0.850 11.351 5.019 1.00 1.43 H new ATOM 0 HE2 TYR A 150 -5.113 11.448 4.493 1.00 1.56 H new ATOM 0 HH TYR A 150 -4.039 9.742 5.448 1.00 1.96 H new ATOM 950 N ASP A 151 -4.180 13.722 0.576 1.00 0.64 N ATOM 951 CA ASP A 151 -4.834 12.512 -0.018 1.00 0.70 C ATOM 952 C ASP A 151 -4.247 12.199 -1.404 1.00 0.63 C ATOM 953 O ASP A 151 -4.020 11.050 -1.739 1.00 0.77 O ATOM 954 CB ASP A 151 -6.323 12.868 -0.132 1.00 0.79 C ATOM 955 CG ASP A 151 -6.929 13.034 1.265 1.00 1.24 C ATOM 956 OD1 ASP A 151 -6.861 14.133 1.792 1.00 1.83 O ATOM 957 OD2 ASP A 151 -7.452 12.062 1.781 1.00 1.90 O ATOM 0 H ASP A 151 -4.803 14.514 0.735 1.00 0.64 H new ATOM 0 HA ASP A 151 -4.673 11.626 0.596 1.00 0.70 H new ATOM 0 HB2 ASP A 151 -6.443 13.790 -0.701 1.00 0.79 H new ATOM 0 HB3 ASP A 151 -6.852 12.086 -0.677 1.00 0.79 H new ATOM 962 N GLU A 152 -3.994 13.206 -2.208 1.00 0.54 N ATOM 963 CA GLU A 152 -3.417 12.959 -3.570 1.00 0.56 C ATOM 964 C GLU A 152 -1.943 12.534 -3.465 1.00 0.52 C ATOM 965 O GLU A 152 -1.421 11.875 -4.344 1.00 0.65 O ATOM 966 CB GLU A 152 -3.554 14.292 -4.318 1.00 0.60 C ATOM 967 CG GLU A 152 -4.752 14.219 -5.276 1.00 0.77 C ATOM 968 CD GLU A 152 -5.220 15.630 -5.642 1.00 0.72 C ATOM 969 OE1 GLU A 152 -5.784 16.290 -4.786 1.00 1.17 O ATOM 970 OE2 GLU A 152 -5.009 16.028 -6.774 1.00 1.40 O ATOM 0 H GLU A 152 -4.162 14.186 -1.981 1.00 0.54 H new ATOM 0 HA GLU A 152 -3.933 12.153 -4.091 1.00 0.56 H new ATOM 0 HB2 GLU A 152 -3.691 15.108 -3.608 1.00 0.60 H new ATOM 0 HB3 GLU A 152 -2.641 14.505 -4.875 1.00 0.60 H new ATOM 0 HG2 GLU A 152 -4.473 13.674 -6.178 1.00 0.77 H new ATOM 0 HG3 GLU A 152 -5.568 13.667 -4.809 1.00 0.77 H new ATOM 977 N PHE A 153 -1.271 12.894 -2.393 1.00 0.46 N ATOM 978 CA PHE A 153 0.164 12.497 -2.235 1.00 0.46 C ATOM 979 C PHE A 153 0.284 10.976 -2.075 1.00 0.50 C ATOM 980 O PHE A 153 1.187 10.361 -2.612 1.00 0.64 O ATOM 981 CB PHE A 153 0.650 13.216 -0.971 1.00 0.49 C ATOM 982 CG PHE A 153 2.100 12.875 -0.723 1.00 0.48 C ATOM 983 CD1 PHE A 153 3.077 13.237 -1.658 1.00 0.52 C ATOM 984 CD2 PHE A 153 2.465 12.188 0.441 1.00 0.62 C ATOM 985 CE1 PHE A 153 4.417 12.911 -1.428 1.00 0.61 C ATOM 986 CE2 PHE A 153 3.804 11.862 0.669 1.00 0.73 C ATOM 987 CZ PHE A 153 4.780 12.223 -0.263 1.00 0.68 C ATOM 0 H PHE A 153 -1.655 13.444 -1.624 1.00 0.46 H new ATOM 0 HA PHE A 153 0.760 12.769 -3.106 1.00 0.46 H new ATOM 0 HB2 PHE A 153 0.533 14.294 -1.085 1.00 0.49 H new ATOM 0 HB3 PHE A 153 0.044 12.919 -0.115 1.00 0.49 H new ATOM 0 HD1 PHE A 153 2.796 13.767 -2.556 1.00 0.52 H new ATOM 0 HD2 PHE A 153 1.711 11.910 1.163 1.00 0.62 H new ATOM 0 HE1 PHE A 153 5.172 13.190 -2.148 1.00 0.61 H new ATOM 0 HE2 PHE A 153 4.085 11.331 1.566 1.00 0.73 H new ATOM 0 HZ PHE A 153 5.815 11.971 -0.085 1.00 0.68 H new ATOM 997 N LEU A 154 -0.622 10.364 -1.352 1.00 0.53 N ATOM 998 CA LEU A 154 -0.561 8.878 -1.172 1.00 0.62 C ATOM 999 C LEU A 154 -0.775 8.186 -2.524 1.00 0.65 C ATOM 1000 O LEU A 154 -0.099 7.229 -2.853 1.00 0.83 O ATOM 1001 CB LEU A 154 -1.687 8.535 -0.187 1.00 0.75 C ATOM 1002 CG LEU A 154 -1.498 9.312 1.127 1.00 0.91 C ATOM 1003 CD1 LEU A 154 -2.428 8.739 2.200 1.00 1.65 C ATOM 1004 CD2 LEU A 154 -0.046 9.195 1.604 1.00 1.20 C ATOM 0 H LEU A 154 -1.399 10.826 -0.880 1.00 0.53 H new ATOM 0 HA LEU A 154 0.404 8.543 -0.792 1.00 0.62 H new ATOM 0 HB2 LEU A 154 -2.653 8.781 -0.628 1.00 0.75 H new ATOM 0 HB3 LEU A 154 -1.691 7.464 0.013 1.00 0.75 H new ATOM 0 HG LEU A 154 -1.736 10.361 0.954 1.00 0.91 H new ATOM 0 HD11 LEU A 154 -2.293 9.290 3.131 1.00 1.65 H new ATOM 0 HD12 LEU A 154 -3.463 8.830 1.871 1.00 1.65 H new ATOM 0 HD13 LEU A 154 -2.191 7.688 2.364 1.00 1.65 H new ATOM 0 HD21 LEU A 154 0.077 9.749 2.535 1.00 1.20 H new ATOM 0 HD22 LEU A 154 0.199 8.146 1.771 1.00 1.20 H new ATOM 0 HD23 LEU A 154 0.620 9.607 0.846 1.00 1.20 H new ATOM 1016 N GLU A 155 -1.689 8.686 -3.323 1.00 0.69 N ATOM 1017 CA GLU A 155 -1.923 8.080 -4.671 1.00 0.81 C ATOM 1018 C GLU A 155 -0.730 8.385 -5.594 1.00 0.76 C ATOM 1019 O GLU A 155 -0.505 7.701 -6.575 1.00 0.90 O ATOM 1020 CB GLU A 155 -3.199 8.747 -5.199 1.00 0.97 C ATOM 1021 CG GLU A 155 -3.823 7.875 -6.296 1.00 1.41 C ATOM 1022 CD GLU A 155 -3.667 8.563 -7.654 1.00 2.06 C ATOM 1023 OE1 GLU A 155 -4.484 9.415 -7.964 1.00 2.77 O ATOM 1024 OE2 GLU A 155 -2.733 8.230 -8.363 1.00 2.57 O ATOM 0 H GLU A 155 -2.281 9.486 -3.099 1.00 0.69 H new ATOM 0 HA GLU A 155 -2.027 6.996 -4.626 1.00 0.81 H new ATOM 0 HB2 GLU A 155 -3.910 8.889 -4.385 1.00 0.97 H new ATOM 0 HB3 GLU A 155 -2.967 9.736 -5.595 1.00 0.97 H new ATOM 0 HG2 GLU A 155 -3.341 6.898 -6.315 1.00 1.41 H new ATOM 0 HG3 GLU A 155 -4.878 7.705 -6.083 1.00 1.41 H new ATOM 1031 N PHE A 156 0.038 9.405 -5.281 1.00 0.66 N ATOM 1032 CA PHE A 156 1.220 9.757 -6.128 1.00 0.77 C ATOM 1033 C PHE A 156 2.438 8.906 -5.734 1.00 0.71 C ATOM 1034 O PHE A 156 3.131 8.382 -6.585 1.00 0.88 O ATOM 1035 CB PHE A 156 1.480 11.245 -5.845 1.00 0.84 C ATOM 1036 CG PHE A 156 2.922 11.586 -6.154 1.00 1.01 C ATOM 1037 CD1 PHE A 156 3.291 11.956 -7.450 1.00 1.49 C ATOM 1038 CD2 PHE A 156 3.889 11.525 -5.143 1.00 1.09 C ATOM 1039 CE1 PHE A 156 4.624 12.264 -7.739 1.00 1.72 C ATOM 1040 CE2 PHE A 156 5.224 11.834 -5.431 1.00 1.31 C ATOM 1041 CZ PHE A 156 5.590 12.203 -6.730 1.00 1.53 C ATOM 0 H PHE A 156 -0.106 10.009 -4.472 1.00 0.66 H new ATOM 0 HA PHE A 156 1.040 9.568 -7.186 1.00 0.77 H new ATOM 0 HB2 PHE A 156 0.814 11.861 -6.450 1.00 0.84 H new ATOM 0 HB3 PHE A 156 1.260 11.469 -4.801 1.00 0.84 H new ATOM 0 HD1 PHE A 156 2.545 12.004 -8.230 1.00 1.49 H new ATOM 0 HD2 PHE A 156 3.605 11.240 -4.141 1.00 1.09 H new ATOM 0 HE1 PHE A 156 4.907 12.549 -8.741 1.00 1.72 H new ATOM 0 HE2 PHE A 156 5.970 11.788 -4.652 1.00 1.31 H new ATOM 0 HZ PHE A 156 6.619 12.441 -6.954 1.00 1.53 H new ATOM 1051 N MET A 157 2.709 8.776 -4.454 1.00 0.61 N ATOM 1052 CA MET A 157 3.894 7.971 -4.006 1.00 0.69 C ATOM 1053 C MET A 157 3.793 6.519 -4.495 1.00 0.83 C ATOM 1054 O MET A 157 4.793 5.872 -4.734 1.00 1.17 O ATOM 1055 CB MET A 157 3.866 8.025 -2.477 1.00 0.84 C ATOM 1056 CG MET A 157 4.322 9.407 -1.994 1.00 0.92 C ATOM 1057 SD MET A 157 5.888 9.854 -2.790 1.00 1.56 S ATOM 1058 CE MET A 157 6.992 9.087 -1.581 1.00 0.90 C ATOM 0 H MET A 157 2.161 9.192 -3.701 1.00 0.61 H new ATOM 0 HA MET A 157 4.824 8.369 -4.413 1.00 0.69 H new ATOM 0 HB2 MET A 157 2.859 7.818 -2.116 1.00 0.84 H new ATOM 0 HB3 MET A 157 4.517 7.254 -2.065 1.00 0.84 H new ATOM 0 HG2 MET A 157 3.561 10.152 -2.226 1.00 0.92 H new ATOM 0 HG3 MET A 157 4.443 9.401 -0.911 1.00 0.92 H new ATOM 0 HE1 MET A 157 8.002 9.040 -1.989 1.00 0.90 H new ATOM 0 HE2 MET A 157 6.998 9.679 -0.666 1.00 0.90 H new ATOM 0 HE3 MET A 157 6.643 8.079 -1.358 1.00 0.90 H new ATOM 1068 N LYS A 158 2.597 6.008 -4.655 1.00 0.86 N ATOM 1069 CA LYS A 158 2.440 4.599 -5.144 1.00 1.07 C ATOM 1070 C LYS A 158 2.666 4.515 -6.667 1.00 1.36 C ATOM 1071 O LYS A 158 2.649 3.443 -7.241 1.00 1.73 O ATOM 1072 CB LYS A 158 1.002 4.197 -4.784 1.00 1.28 C ATOM 1073 CG LYS A 158 0.003 5.121 -5.489 1.00 1.66 C ATOM 1074 CD LYS A 158 -0.960 4.287 -6.338 1.00 2.24 C ATOM 1075 CE LYS A 158 -0.629 4.473 -7.823 1.00 2.85 C ATOM 1076 NZ LYS A 158 -1.403 5.677 -8.245 1.00 3.52 N1+ ATOM 0 H LYS A 158 1.724 6.502 -4.469 1.00 0.86 H new ATOM 0 HA LYS A 158 3.172 3.933 -4.687 1.00 1.07 H new ATOM 0 HB2 LYS A 158 0.821 3.163 -5.077 1.00 1.28 H new ATOM 0 HB3 LYS A 158 0.860 4.252 -3.705 1.00 1.28 H new ATOM 0 HG2 LYS A 158 -0.554 5.700 -4.752 1.00 1.66 H new ATOM 0 HG3 LYS A 158 0.534 5.834 -6.119 1.00 1.66 H new ATOM 0 HD2 LYS A 158 -0.882 3.234 -6.067 1.00 2.24 H new ATOM 0 HD3 LYS A 158 -1.989 4.591 -6.143 1.00 2.24 H new ATOM 0 HE2 LYS A 158 0.441 4.619 -7.973 1.00 2.85 H new ATOM 0 HE3 LYS A 158 -0.916 3.596 -8.404 1.00 2.85 H new ATOM 0 HZ1 LYS A 158 -1.336 5.789 -9.277 1.00 3.52 H new ATOM 0 HZ2 LYS A 158 -2.400 5.562 -7.973 1.00 3.52 H new ATOM 0 HZ3 LYS A 158 -1.013 6.521 -7.780 1.00 3.52 H new ATOM 1090 N GLY A 159 2.877 5.635 -7.324 1.00 1.73 N ATOM 1091 CA GLY A 159 3.108 5.620 -8.801 1.00 2.35 C ATOM 1092 C GLY A 159 4.510 6.159 -9.110 1.00 2.13 C ATOM 1093 O GLY A 159 5.239 5.586 -9.897 1.00 2.59 O ATOM 0 H GLY A 159 2.898 6.560 -6.895 1.00 1.73 H new ATOM 0 HA2 GLY A 159 3.005 4.605 -9.185 1.00 2.35 H new ATOM 0 HA3 GLY A 159 2.355 6.228 -9.303 1.00 2.35 H new ATOM 1097 N VAL A 160 4.889 7.257 -8.497 1.00 1.87 N ATOM 1098 CA VAL A 160 6.246 7.840 -8.751 1.00 1.87 C ATOM 1099 C VAL A 160 7.348 6.861 -8.313 1.00 2.39 C ATOM 1100 O VAL A 160 7.137 6.002 -7.477 1.00 3.11 O ATOM 1101 CB VAL A 160 6.294 9.133 -7.919 1.00 1.68 C ATOM 1102 CG1 VAL A 160 6.393 8.796 -6.427 1.00 1.89 C ATOM 1103 CG2 VAL A 160 7.510 9.967 -8.335 1.00 1.76 C ATOM 0 H VAL A 160 4.316 7.775 -7.831 1.00 1.87 H new ATOM 0 HA VAL A 160 6.414 8.037 -9.810 1.00 1.87 H new ATOM 0 HB VAL A 160 5.382 9.702 -8.097 1.00 1.68 H new ATOM 0 HG11 VAL A 160 6.426 9.718 -5.847 1.00 1.89 H new ATOM 0 HG12 VAL A 160 5.524 8.210 -6.128 1.00 1.89 H new ATOM 0 HG13 VAL A 160 7.300 8.219 -6.244 1.00 1.89 H new ATOM 0 HG21 VAL A 160 7.542 10.883 -7.745 1.00 1.76 H new ATOM 0 HG22 VAL A 160 8.421 9.393 -8.164 1.00 1.76 H new ATOM 0 HG23 VAL A 160 7.433 10.220 -9.393 1.00 1.76 H new ATOM 1113 N GLU A 161 8.518 6.991 -8.878 1.00 2.52 N ATOM 1114 CA GLU A 161 9.645 6.082 -8.511 1.00 3.28 C ATOM 1115 C GLU A 161 10.881 6.906 -8.126 1.00 3.90 C ATOM 1116 O GLU A 161 11.475 6.604 -7.104 1.00 4.34 O ATOM 1117 CB GLU A 161 9.911 5.258 -9.777 1.00 3.49 C ATOM 1118 CG GLU A 161 9.926 3.765 -9.431 1.00 4.11 C ATOM 1119 CD GLU A 161 10.210 2.947 -10.692 1.00 4.29 C ATOM 1120 OE1 GLU A 161 9.323 2.844 -11.522 1.00 4.60 O ATOM 1121 OE2 GLU A 161 11.311 2.435 -10.806 1.00 4.56 O ATOM 1122 OXT GLU A 161 11.210 7.828 -8.856 1.00 4.37 O ATOM 0 H GLU A 161 8.744 7.692 -9.583 1.00 2.52 H new ATOM 0 HA GLU A 161 9.411 5.448 -7.656 1.00 3.28 H new ATOM 0 HB2 GLU A 161 9.141 5.460 -10.522 1.00 3.49 H new ATOM 0 HB3 GLU A 161 10.865 5.548 -10.217 1.00 3.49 H new ATOM 0 HG2 GLU A 161 10.687 3.564 -8.677 1.00 4.11 H new ATOM 0 HG3 GLU A 161 8.967 3.471 -9.003 1.00 4.11 H new TER 1129 GLU A 161 HETATM 1130 CA CA A 1 2.583 25.036 0.352 1.00 0.75 CA HETATM 1131 CA CA A 2 -5.018 18.714 -5.887 1.00 0.00 CA HETATM 1132 C1 STL A 162 12.754 11.514 -2.283 1.00 20.00 C HETATM 1133 C2 STL A 162 13.376 10.416 -2.907 1.00 20.00 C HETATM 1134 C3 STL A 162 13.033 10.064 -4.220 1.00 20.00 C HETATM 1135 C4 STL A 162 12.061 10.809 -4.916 1.00 20.00 C HETATM 1136 C5 STL A 162 11.426 11.902 -4.299 1.00 20.00 C HETATM 1137 C6 STL A 162 11.778 12.259 -2.985 1.00 20.00 C HETATM 1138 C7 STL A 162 10.434 12.646 -4.932 1.00 20.00 C HETATM 1139 C8 STL A 162 9.357 13.278 -4.281 1.00 20.00 C HETATM 1140 C9 STL A 162 8.332 14.038 -4.839 1.00 20.00 C HETATM 1141 C10 STL A 162 8.282 14.406 -6.208 1.00 20.00 C HETATM 1142 C11 STL A 162 7.201 15.188 -6.686 1.00 20.00 C HETATM 1143 C12 STL A 162 6.198 15.578 -5.769 1.00 20.00 C HETATM 1144 C13 STL A 162 6.242 15.214 -4.401 1.00 20.00 C HETATM 1145 C14 STL A 162 7.317 14.439 -3.938 1.00 20.00 C HETATM 1146 O1 STL A 162 5.158 16.327 -6.218 1.00 20.00 O HETATM 1147 O2 STL A 162 13.631 9.006 -4.828 1.00 20.00 O HETATM 1148 O3 STL A 162 13.081 11.858 -1.018 1.00 20.00 O HETATM 0 HO3 STL A 162 12.557 12.640 -0.746 1.00 20.00 H new HETATM 0 HO2 STL A 162 13.273 8.904 -5.734 1.00 20.00 H new HETATM 0 HO1 STL A 162 4.471 16.383 -5.522 1.00 20.00 H new HETATM 0 H8 STL A 162 9.321 13.156 -3.198 1.00 20.00 H new HETATM 0 H7 STL A 162 10.496 12.747 -6.016 1.00 20.00 H new HETATM 0 H6 STL A 162 11.297 13.112 -2.506 1.00 20.00 H new HETATM 0 H4 STL A 162 11.799 10.537 -5.939 1.00 20.00 H new HETATM 0 H2 STL A 162 14.126 9.838 -2.368 1.00 20.00 H new HETATM 0 H14 STL A 162 7.370 14.147 -2.889 1.00 20.00 H new HETATM 0 H13 STL A 162 5.453 15.531 -3.718 1.00 20.00 H new HETATM 0 H11 STL A 162 7.144 15.481 -7.734 1.00 20.00 H new HETATM 0 H10 STL A 162 9.071 14.089 -6.889 1.00 20.00 H new