USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=19 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 Set 1.1: A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 162 STL O2 : rot 131:sc= 0.841 USER MOD Single : A 92 LYS NZ :NH3+ -166:sc= 1.79 (180deg=1.15) USER MOD Single : A 93 SER OG : rot 18:sc= 0.029 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 103 MET CE :methyl -168:sc=-0.000936 (180deg=-0.214) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 ASN : amide:sc= -0.13 K(o=-0.13,f=-2.8!) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 157:sc= 0.721 (180deg=0.266) USER MOD Single : A 120 MET CE :methyl 152:sc= -3.9! (180deg=-5.46!) USER MOD Single : A 122 GLN : amide:sc= 0.339 X(o=0.34,f=-0.033) USER MOD Single : A 124 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 THR OG1 : rot 180:sc= 0 USER MOD Single : A 129 THR OG1 : rot 180:sc= 0 USER MOD Single : A 137 MET CE :methyl -108:sc= -4.07 (180deg=-10.7!) USER MOD Single : A 138 LYS NZ :NH3+ -138:sc= 0.351 (180deg=-0.00738) USER MOD Single : A 142 LYS NZ :NH3+ 168:sc= 1.81 (180deg=1.5) USER MOD Single : A 143 ASN : amide:sc= -0.248 X(o=-0.25,f=-0.19) USER MOD Single : A 144 ASN : amide:sc= -0.0231 X(o=-0.023,f=0) USER MOD Single : A 150 TYR OH : rot -25:sc= 0.659 USER MOD Single : A 157 MET CE :methyl -162:sc= -2.31 (180deg=-4.38!) USER MOD Single : A 158 LYS NZ :NH3+ 168:sc= 1.66 (180deg=1.28) USER MOD Single : A 162 STL O1 : rot 180:sc= 0 USER MOD Single : A 162 STL O3 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 90 11.791 6.442 2.512 1.00 2.87 N ATOM 2 CA MET A 90 11.383 6.909 1.149 1.00 2.20 C ATOM 3 C MET A 90 9.852 6.990 1.053 1.00 1.76 C ATOM 4 O MET A 90 9.151 6.750 2.017 1.00 2.23 O ATOM 5 CB MET A 90 11.934 5.849 0.185 1.00 2.68 C ATOM 6 CG MET A 90 12.920 6.498 -0.789 1.00 3.11 C ATOM 7 SD MET A 90 14.451 6.913 0.080 1.00 4.08 S ATOM 8 CE MET A 90 15.503 7.070 -1.384 1.00 4.71 C ATOM 0 HA MET A 90 11.765 7.903 0.919 1.00 2.20 H new ATOM 0 HB2 MET A 90 12.430 5.057 0.746 1.00 2.68 H new ATOM 0 HB3 MET A 90 11.116 5.385 -0.366 1.00 2.68 H new ATOM 0 HG2 MET A 90 13.132 5.818 -1.614 1.00 3.11 H new ATOM 0 HG3 MET A 90 12.481 7.397 -1.221 1.00 3.11 H new ATOM 0 HE1 MET A 90 16.517 7.328 -1.078 1.00 4.71 H new ATOM 0 HE2 MET A 90 15.517 6.124 -1.925 1.00 4.71 H new ATOM 0 HE3 MET A 90 15.110 7.853 -2.032 1.00 4.71 H new ATOM 20 N GLY A 91 9.327 7.322 -0.101 1.00 1.61 N ATOM 21 CA GLY A 91 7.841 7.409 -0.250 1.00 1.31 C ATOM 22 C GLY A 91 7.265 5.997 -0.367 1.00 1.37 C ATOM 23 O GLY A 91 7.201 5.432 -1.443 1.00 1.61 O ATOM 0 H GLY A 91 9.861 7.536 -0.943 1.00 1.61 H new ATOM 0 HA2 GLY A 91 7.407 7.922 0.608 1.00 1.31 H new ATOM 0 HA3 GLY A 91 7.586 7.994 -1.134 1.00 1.31 H new ATOM 27 N LYS A 92 6.861 5.415 0.735 1.00 1.27 N ATOM 28 CA LYS A 92 6.306 4.027 0.695 1.00 1.47 C ATOM 29 C LYS A 92 4.905 3.986 1.318 1.00 1.40 C ATOM 30 O LYS A 92 3.925 3.742 0.639 1.00 1.56 O ATOM 31 CB LYS A 92 7.297 3.201 1.520 1.00 1.61 C ATOM 32 CG LYS A 92 6.868 1.730 1.548 1.00 1.94 C ATOM 33 CD LYS A 92 7.599 1.006 2.686 1.00 2.31 C ATOM 34 CE LYS A 92 6.669 0.874 3.898 1.00 2.59 C ATOM 35 NZ LYS A 92 7.380 1.564 5.014 1.00 3.20 N1+ ATOM 0 H LYS A 92 6.892 5.842 1.661 1.00 1.27 H new ATOM 0 HA LYS A 92 6.196 3.648 -0.321 1.00 1.47 H new ATOM 0 HB2 LYS A 92 8.297 3.287 1.094 1.00 1.61 H new ATOM 0 HB3 LYS A 92 7.349 3.591 2.536 1.00 1.61 H new ATOM 0 HG2 LYS A 92 5.790 1.657 1.690 1.00 1.94 H new ATOM 0 HG3 LYS A 92 7.097 1.255 0.594 1.00 1.94 H new ATOM 0 HD2 LYS A 92 7.921 0.019 2.354 1.00 2.31 H new ATOM 0 HD3 LYS A 92 8.497 1.558 2.963 1.00 2.31 H new ATOM 0 HE2 LYS A 92 5.701 1.335 3.703 1.00 2.59 H new ATOM 0 HE3 LYS A 92 6.481 -0.173 4.138 1.00 2.59 H new ATOM 0 HZ1 LYS A 92 6.930 1.316 5.918 1.00 3.20 H new ATOM 0 HZ2 LYS A 92 8.376 1.264 5.029 1.00 3.20 H new ATOM 0 HZ3 LYS A 92 7.330 2.593 4.873 1.00 3.20 H new ATOM 49 N SER A 93 4.804 4.220 2.602 1.00 1.38 N ATOM 50 CA SER A 93 3.467 4.190 3.267 1.00 1.40 C ATOM 51 C SER A 93 3.352 5.326 4.287 1.00 1.20 C ATOM 52 O SER A 93 4.269 6.105 4.464 1.00 1.08 O ATOM 53 CB SER A 93 3.399 2.829 3.959 1.00 1.60 C ATOM 54 OG SER A 93 2.945 1.856 3.028 1.00 2.20 O ATOM 0 H SER A 93 5.589 4.430 3.218 1.00 1.38 H new ATOM 0 HA SER A 93 2.650 4.325 2.558 1.00 1.40 H new ATOM 0 HB2 SER A 93 4.381 2.553 4.343 1.00 1.60 H new ATOM 0 HB3 SER A 93 2.724 2.875 4.814 1.00 1.60 H new ATOM 0 HG SER A 93 3.060 2.197 2.116 1.00 2.20 H new ATOM 60 N GLU A 94 2.226 5.423 4.953 1.00 1.26 N ATOM 61 CA GLU A 94 2.012 6.510 5.969 1.00 1.17 C ATOM 62 C GLU A 94 3.230 6.681 6.897 1.00 1.12 C ATOM 63 O GLU A 94 3.459 7.755 7.423 1.00 1.09 O ATOM 64 CB GLU A 94 0.787 6.061 6.771 1.00 1.33 C ATOM 65 CG GLU A 94 -0.474 6.224 5.913 1.00 1.28 C ATOM 66 CD GLU A 94 -0.742 7.710 5.662 1.00 1.44 C ATOM 67 OE1 GLU A 94 -1.188 8.378 6.579 1.00 2.09 O ATOM 68 OE2 GLU A 94 -0.495 8.153 4.554 1.00 1.94 O ATOM 0 H GLU A 94 1.435 4.789 4.836 1.00 1.26 H new ATOM 0 HA GLU A 94 1.870 7.478 5.488 1.00 1.17 H new ATOM 0 HB2 GLU A 94 0.900 5.021 7.076 1.00 1.33 H new ATOM 0 HB3 GLU A 94 0.699 6.653 7.682 1.00 1.33 H new ATOM 0 HG2 GLU A 94 -0.349 5.702 4.964 1.00 1.28 H new ATOM 0 HG3 GLU A 94 -1.328 5.771 6.416 1.00 1.28 H new ATOM 75 N GLU A 95 4.014 5.645 7.093 1.00 1.19 N ATOM 76 CA GLU A 95 5.221 5.759 7.977 1.00 1.23 C ATOM 77 C GLU A 95 6.112 6.916 7.509 1.00 1.03 C ATOM 78 O GLU A 95 6.434 7.809 8.270 1.00 1.01 O ATOM 79 CB GLU A 95 5.962 4.427 7.822 1.00 1.45 C ATOM 80 CG GLU A 95 5.130 3.293 8.429 1.00 1.90 C ATOM 81 CD GLU A 95 5.195 2.071 7.514 1.00 2.12 C ATOM 82 OE1 GLU A 95 6.131 1.301 7.650 1.00 2.49 O ATOM 83 OE2 GLU A 95 4.313 1.928 6.685 1.00 2.66 O ATOM 0 H GLU A 95 3.870 4.724 6.678 1.00 1.19 H new ATOM 0 HA GLU A 95 4.950 5.958 9.014 1.00 1.23 H new ATOM 0 HB2 GLU A 95 6.151 4.227 6.767 1.00 1.45 H new ATOM 0 HB3 GLU A 95 6.933 4.481 8.315 1.00 1.45 H new ATOM 0 HG2 GLU A 95 5.508 3.040 9.420 1.00 1.90 H new ATOM 0 HG3 GLU A 95 4.096 3.613 8.554 1.00 1.90 H new ATOM 90 N GLU A 96 6.506 6.904 6.260 1.00 1.02 N ATOM 91 CA GLU A 96 7.376 8.000 5.731 1.00 0.94 C ATOM 92 C GLU A 96 6.532 9.073 5.024 1.00 0.79 C ATOM 93 O GLU A 96 6.858 10.243 5.063 1.00 0.82 O ATOM 94 CB GLU A 96 8.322 7.327 4.726 1.00 1.15 C ATOM 95 CG GLU A 96 9.019 6.122 5.373 1.00 1.62 C ATOM 96 CD GLU A 96 8.704 4.858 4.571 1.00 1.99 C ATOM 97 OE1 GLU A 96 7.598 4.358 4.699 1.00 2.78 O ATOM 98 OE2 GLU A 96 9.573 4.413 3.839 1.00 2.18 O ATOM 0 H GLU A 96 6.262 6.181 5.583 1.00 1.02 H new ATOM 0 HA GLU A 96 7.919 8.499 6.534 1.00 0.94 H new ATOM 0 HB2 GLU A 96 7.761 7.003 3.849 1.00 1.15 H new ATOM 0 HB3 GLU A 96 9.067 8.044 4.381 1.00 1.15 H new ATOM 0 HG2 GLU A 96 10.096 6.286 5.405 1.00 1.62 H new ATOM 0 HG3 GLU A 96 8.683 6.005 6.403 1.00 1.62 H new ATOM 105 N LEU A 97 5.461 8.683 4.365 1.00 0.77 N ATOM 106 CA LEU A 97 4.606 9.683 3.638 1.00 0.71 C ATOM 107 C LEU A 97 4.165 10.827 4.567 1.00 0.67 C ATOM 108 O LEU A 97 4.192 11.982 4.184 1.00 0.75 O ATOM 109 CB LEU A 97 3.374 8.907 3.147 1.00 0.80 C ATOM 110 CG LEU A 97 3.759 7.830 2.119 1.00 0.77 C ATOM 111 CD1 LEU A 97 2.518 7.442 1.319 1.00 1.40 C ATOM 112 CD2 LEU A 97 4.832 8.355 1.160 1.00 1.22 C ATOM 0 H LEU A 97 5.143 7.716 4.299 1.00 0.77 H new ATOM 0 HA LEU A 97 5.161 10.139 2.818 1.00 0.71 H new ATOM 0 HB2 LEU A 97 2.875 8.439 3.996 1.00 0.80 H new ATOM 0 HB3 LEU A 97 2.661 9.600 2.700 1.00 0.80 H new ATOM 0 HG LEU A 97 4.157 6.964 2.648 1.00 0.77 H new ATOM 0 HD11 LEU A 97 2.781 6.678 0.587 1.00 1.40 H new ATOM 0 HD12 LEU A 97 1.757 7.050 1.994 1.00 1.40 H new ATOM 0 HD13 LEU A 97 2.128 8.320 0.804 1.00 1.40 H new ATOM 0 HD21 LEU A 97 5.090 7.577 0.441 1.00 1.22 H new ATOM 0 HD22 LEU A 97 4.450 9.227 0.629 1.00 1.22 H new ATOM 0 HD23 LEU A 97 5.721 8.635 1.726 1.00 1.22 H new ATOM 124 N SER A 98 3.754 10.519 5.777 1.00 0.69 N ATOM 125 CA SER A 98 3.306 11.596 6.722 1.00 0.76 C ATOM 126 C SER A 98 4.396 12.667 6.878 1.00 0.72 C ATOM 127 O SER A 98 4.143 13.845 6.702 1.00 0.77 O ATOM 128 CB SER A 98 3.043 10.889 8.054 1.00 0.92 C ATOM 129 OG SER A 98 2.763 11.860 9.056 1.00 1.57 O ATOM 0 H SER A 98 3.709 9.571 6.150 1.00 0.69 H new ATOM 0 HA SER A 98 2.416 12.109 6.358 1.00 0.76 H new ATOM 0 HB2 SER A 98 2.204 10.201 7.954 1.00 0.92 H new ATOM 0 HB3 SER A 98 3.910 10.294 8.340 1.00 0.92 H new ATOM 0 HG SER A 98 2.593 11.410 9.910 1.00 1.57 H new ATOM 135 N ASP A 99 5.606 12.270 7.195 1.00 0.80 N ATOM 136 CA ASP A 99 6.705 13.274 7.348 1.00 0.86 C ATOM 137 C ASP A 99 7.142 13.795 5.971 1.00 0.81 C ATOM 138 O ASP A 99 7.445 14.962 5.815 1.00 0.91 O ATOM 139 CB ASP A 99 7.853 12.535 8.042 1.00 1.02 C ATOM 140 CG ASP A 99 8.580 13.502 8.980 1.00 1.23 C ATOM 141 OD1 ASP A 99 7.978 13.917 9.959 1.00 1.83 O ATOM 142 OD2 ASP A 99 9.721 13.821 8.698 1.00 1.79 O ATOM 0 H ASP A 99 5.878 11.300 7.353 1.00 0.80 H new ATOM 0 HA ASP A 99 6.386 14.140 7.928 1.00 0.86 H new ATOM 0 HB2 ASP A 99 7.467 11.685 8.605 1.00 1.02 H new ATOM 0 HB3 ASP A 99 8.547 12.138 7.301 1.00 1.02 H new ATOM 147 N LEU A 100 7.161 12.946 4.968 1.00 0.75 N ATOM 148 CA LEU A 100 7.562 13.406 3.597 1.00 0.76 C ATOM 149 C LEU A 100 6.619 14.525 3.112 1.00 0.68 C ATOM 150 O LEU A 100 6.983 15.321 2.271 1.00 0.79 O ATOM 151 CB LEU A 100 7.453 12.165 2.700 1.00 0.86 C ATOM 152 CG LEU A 100 8.288 12.366 1.427 1.00 0.79 C ATOM 153 CD1 LEU A 100 9.722 11.871 1.650 1.00 1.41 C ATOM 154 CD2 LEU A 100 7.663 11.579 0.275 1.00 1.41 C ATOM 0 H LEU A 100 6.917 11.958 5.039 1.00 0.75 H new ATOM 0 HA LEU A 100 8.571 13.819 3.581 1.00 0.76 H new ATOM 0 HB2 LEU A 100 7.802 11.284 3.239 1.00 0.86 H new ATOM 0 HB3 LEU A 100 6.410 11.986 2.437 1.00 0.86 H new ATOM 0 HG LEU A 100 8.307 13.429 1.185 1.00 0.79 H new ATOM 0 HD11 LEU A 100 10.304 12.019 0.740 1.00 1.41 H new ATOM 0 HD12 LEU A 100 10.177 12.431 2.467 1.00 1.41 H new ATOM 0 HD13 LEU A 100 9.706 10.811 1.902 1.00 1.41 H new ATOM 0 HD21 LEU A 100 8.257 11.723 -0.628 1.00 1.41 H new ATOM 0 HD22 LEU A 100 7.639 10.519 0.529 1.00 1.41 H new ATOM 0 HD23 LEU A 100 6.647 11.933 0.101 1.00 1.41 H new ATOM 166 N PHE A 101 5.416 14.596 3.642 1.00 0.60 N ATOM 167 CA PHE A 101 4.465 15.677 3.222 1.00 0.59 C ATOM 168 C PHE A 101 4.564 16.883 4.173 1.00 0.60 C ATOM 169 O PHE A 101 4.795 18.001 3.755 1.00 0.72 O ATOM 170 CB PHE A 101 3.068 15.049 3.311 1.00 0.61 C ATOM 171 CG PHE A 101 2.050 15.985 2.695 1.00 0.58 C ATOM 172 CD1 PHE A 101 1.983 16.126 1.304 1.00 0.86 C ATOM 173 CD2 PHE A 101 1.167 16.703 3.512 1.00 0.68 C ATOM 174 CE1 PHE A 101 1.039 16.986 0.729 1.00 0.90 C ATOM 175 CE2 PHE A 101 0.224 17.563 2.935 1.00 0.73 C ATOM 176 CZ PHE A 101 0.159 17.703 1.546 1.00 0.69 C ATOM 0 H PHE A 101 5.054 13.952 4.346 1.00 0.60 H new ATOM 0 HA PHE A 101 4.688 16.041 2.219 1.00 0.59 H new ATOM 0 HB2 PHE A 101 3.056 14.090 2.793 1.00 0.61 H new ATOM 0 HB3 PHE A 101 2.813 14.852 4.352 1.00 0.61 H new ATOM 0 HD1 PHE A 101 2.661 15.570 0.673 1.00 0.86 H new ATOM 0 HD2 PHE A 101 1.213 16.594 4.585 1.00 0.68 H new ATOM 0 HE1 PHE A 101 0.991 17.095 -0.344 1.00 0.90 H new ATOM 0 HE2 PHE A 101 -0.454 18.119 3.565 1.00 0.73 H new ATOM 0 HZ PHE A 101 -0.571 18.365 1.104 1.00 0.69 H new ATOM 186 N ARG A 102 4.362 16.652 5.448 1.00 0.67 N ATOM 187 CA ARG A 102 4.404 17.761 6.457 1.00 0.76 C ATOM 188 C ARG A 102 5.828 18.320 6.638 1.00 0.68 C ATOM 189 O ARG A 102 6.027 19.520 6.639 1.00 0.78 O ATOM 190 CB ARG A 102 3.886 17.106 7.751 1.00 0.99 C ATOM 191 CG ARG A 102 4.453 17.811 8.990 1.00 1.30 C ATOM 192 CD ARG A 102 5.400 16.855 9.724 1.00 1.45 C ATOM 193 NE ARG A 102 6.563 17.690 10.140 1.00 2.12 N ATOM 194 CZ ARG A 102 7.115 17.507 11.305 1.00 2.71 C ATOM 195 NH1 ARG A 102 7.840 16.443 11.529 1.00 3.37 N1+ ATOM 196 NH2 ARG A 102 6.930 18.383 12.252 1.00 3.07 N ATOM 0 H ARG A 102 4.167 15.730 5.839 1.00 0.67 H new ATOM 0 HA ARG A 102 3.805 18.619 6.152 1.00 0.76 H new ATOM 0 HB2 ARG A 102 2.797 17.146 7.772 1.00 0.99 H new ATOM 0 HB3 ARG A 102 4.167 16.053 7.767 1.00 0.99 H new ATOM 0 HG2 ARG A 102 4.986 18.716 8.697 1.00 1.30 H new ATOM 0 HG3 ARG A 102 3.643 18.118 9.651 1.00 1.30 H new ATOM 0 HD2 ARG A 102 4.911 16.404 10.588 1.00 1.45 H new ATOM 0 HD3 ARG A 102 5.715 16.039 9.074 1.00 1.45 H new ATOM 0 HE ARG A 102 6.927 18.406 9.511 1.00 2.12 H new ATOM 0 HH11 ARG A 102 7.975 15.753 10.790 1.00 3.37 H new ATOM 0 HH12 ARG A 102 8.271 16.303 12.443 1.00 3.37 H new ATOM 0 HH21 ARG A 102 6.355 19.207 12.079 1.00 3.07 H new ATOM 0 HH22 ARG A 102 7.360 18.244 13.166 1.00 3.07 H new ATOM 210 N MET A 103 6.811 17.473 6.809 1.00 0.71 N ATOM 211 CA MET A 103 8.213 17.975 7.010 1.00 0.75 C ATOM 212 C MET A 103 8.814 18.540 5.708 1.00 0.68 C ATOM 213 O MET A 103 9.892 19.102 5.719 1.00 0.83 O ATOM 214 CB MET A 103 9.006 16.753 7.482 1.00 0.93 C ATOM 215 CG MET A 103 9.935 17.154 8.632 1.00 1.27 C ATOM 216 SD MET A 103 11.631 17.306 8.015 1.00 1.82 S ATOM 217 CE MET A 103 12.342 15.927 8.948 1.00 2.43 C ATOM 0 H MET A 103 6.709 16.458 6.819 1.00 0.71 H new ATOM 0 HA MET A 103 8.240 18.795 7.728 1.00 0.75 H new ATOM 0 HB2 MET A 103 8.324 15.969 7.809 1.00 0.93 H new ATOM 0 HB3 MET A 103 9.589 16.344 6.656 1.00 0.93 H new ATOM 0 HG2 MET A 103 9.608 18.100 9.065 1.00 1.27 H new ATOM 0 HG3 MET A 103 9.891 16.408 9.426 1.00 1.27 H new ATOM 0 HE1 MET A 103 13.429 15.967 8.884 1.00 2.43 H new ATOM 0 HE2 MET A 103 12.037 15.998 9.992 1.00 2.43 H new ATOM 0 HE3 MET A 103 11.988 14.984 8.530 1.00 2.43 H new ATOM 227 N PHE A 104 8.135 18.397 4.594 1.00 0.68 N ATOM 228 CA PHE A 104 8.684 18.929 3.307 1.00 0.79 C ATOM 229 C PHE A 104 8.072 20.292 2.960 1.00 0.71 C ATOM 230 O PHE A 104 8.732 21.132 2.381 1.00 0.88 O ATOM 231 CB PHE A 104 8.290 17.895 2.253 1.00 0.94 C ATOM 232 CG PHE A 104 9.455 16.971 1.984 1.00 1.31 C ATOM 233 CD1 PHE A 104 9.923 16.118 2.990 1.00 1.26 C ATOM 234 CD2 PHE A 104 10.067 16.971 0.726 1.00 2.03 C ATOM 235 CE1 PHE A 104 11.002 15.263 2.737 1.00 1.86 C ATOM 236 CE2 PHE A 104 11.146 16.116 0.472 1.00 2.65 C ATOM 237 CZ PHE A 104 11.615 15.263 1.478 1.00 2.56 C ATOM 0 H PHE A 104 7.228 17.937 4.521 1.00 0.68 H new ATOM 0 HA PHE A 104 9.762 19.080 3.366 1.00 0.79 H new ATOM 0 HB2 PHE A 104 7.430 17.321 2.597 1.00 0.94 H new ATOM 0 HB3 PHE A 104 7.991 18.396 1.332 1.00 0.94 H new ATOM 0 HD1 PHE A 104 9.452 16.119 3.962 1.00 1.26 H new ATOM 0 HD2 PHE A 104 9.707 17.631 -0.049 1.00 2.03 H new ATOM 0 HE1 PHE A 104 11.362 14.603 3.513 1.00 1.86 H new ATOM 0 HE2 PHE A 104 11.617 16.114 -0.500 1.00 2.65 H new ATOM 0 HZ PHE A 104 12.449 14.605 1.283 1.00 2.56 H new ATOM 247 N ASP A 105 6.818 20.513 3.295 1.00 0.61 N ATOM 248 CA ASP A 105 6.166 21.823 2.964 1.00 0.60 C ATOM 249 C ASP A 105 6.928 22.992 3.603 1.00 0.56 C ATOM 250 O ASP A 105 6.644 23.405 4.713 1.00 0.63 O ATOM 251 CB ASP A 105 4.739 21.731 3.520 1.00 0.68 C ATOM 252 CG ASP A 105 3.835 22.702 2.756 1.00 0.86 C ATOM 253 OD1 ASP A 105 3.406 22.350 1.671 1.00 1.45 O ATOM 254 OD2 ASP A 105 3.588 23.784 3.263 1.00 0.84 O ATOM 0 H ASP A 105 6.221 19.844 3.782 1.00 0.61 H new ATOM 0 HA ASP A 105 6.165 22.007 1.890 1.00 0.60 H new ATOM 0 HB2 ASP A 105 4.363 20.713 3.422 1.00 0.68 H new ATOM 0 HB3 ASP A 105 4.734 21.972 4.583 1.00 0.68 H new ATOM 259 N LYS A 106 7.888 23.530 2.896 1.00 0.59 N ATOM 260 CA LYS A 106 8.674 24.678 3.437 1.00 0.66 C ATOM 261 C LYS A 106 7.808 25.944 3.467 1.00 0.55 C ATOM 262 O LYS A 106 8.100 26.882 4.184 1.00 0.63 O ATOM 263 CB LYS A 106 9.852 24.848 2.472 1.00 0.87 C ATOM 264 CG LYS A 106 10.908 23.775 2.760 1.00 1.21 C ATOM 265 CD LYS A 106 12.042 23.886 1.740 1.00 1.61 C ATOM 266 CE LYS A 106 13.113 24.852 2.260 1.00 1.77 C ATOM 267 NZ LYS A 106 13.101 25.998 1.306 1.00 2.14 N1+ ATOM 0 H LYS A 106 8.162 23.222 1.963 1.00 0.59 H new ATOM 0 HA LYS A 106 9.012 24.503 4.458 1.00 0.66 H new ATOM 0 HB2 LYS A 106 9.506 24.766 1.442 1.00 0.87 H new ATOM 0 HB3 LYS A 106 10.287 25.841 2.584 1.00 0.87 H new ATOM 0 HG2 LYS A 106 11.300 23.898 3.770 1.00 1.21 H new ATOM 0 HG3 LYS A 106 10.457 22.784 2.711 1.00 1.21 H new ATOM 0 HD2 LYS A 106 12.480 22.904 1.561 1.00 1.61 H new ATOM 0 HD3 LYS A 106 11.652 24.240 0.786 1.00 1.61 H new ATOM 0 HE2 LYS A 106 12.887 25.181 3.274 1.00 1.77 H new ATOM 0 HE3 LYS A 106 14.093 24.375 2.290 1.00 1.77 H new ATOM 0 HZ1 LYS A 106 13.810 26.701 1.598 1.00 2.14 H new ATOM 0 HZ2 LYS A 106 13.326 25.656 0.350 1.00 2.14 H new ATOM 0 HZ3 LYS A 106 12.159 26.438 1.303 1.00 2.14 H new ATOM 281 N ASN A 107 6.736 25.974 2.706 1.00 0.48 N ATOM 282 CA ASN A 107 5.853 27.178 2.711 1.00 0.50 C ATOM 283 C ASN A 107 5.134 27.307 4.070 1.00 0.58 C ATOM 284 O ASN A 107 4.731 28.385 4.462 1.00 0.70 O ATOM 285 CB ASN A 107 4.857 26.953 1.577 1.00 0.54 C ATOM 286 CG ASN A 107 4.442 28.297 0.965 1.00 0.70 C ATOM 287 OD1 ASN A 107 4.948 29.336 1.338 1.00 1.00 O ATOM 288 ND2 ASN A 107 3.539 28.319 0.025 1.00 0.78 N ATOM 0 H ASN A 107 6.439 25.220 2.087 1.00 0.48 H new ATOM 0 HA ASN A 107 6.413 28.102 2.568 1.00 0.50 H new ATOM 0 HB2 ASN A 107 5.303 26.318 0.811 1.00 0.54 H new ATOM 0 HB3 ASN A 107 3.978 26.429 1.953 1.00 0.54 H new ATOM 0 HD21 ASN A 107 3.260 29.206 -0.394 1.00 0.78 H new ATOM 0 HD22 ASN A 107 3.111 27.449 -0.292 1.00 0.78 H new ATOM 295 N ALA A 108 5.005 26.207 4.793 1.00 0.65 N ATOM 296 CA ALA A 108 4.358 26.211 6.152 1.00 0.84 C ATOM 297 C ALA A 108 2.830 26.414 6.104 1.00 0.78 C ATOM 298 O ALA A 108 2.253 26.953 7.032 1.00 0.96 O ATOM 299 CB ALA A 108 5.036 27.351 6.923 1.00 1.03 C ATOM 0 H ALA A 108 5.329 25.289 4.488 1.00 0.65 H new ATOM 0 HA ALA A 108 4.490 25.241 6.632 1.00 0.84 H new ATOM 0 HB1 ALA A 108 4.613 27.414 7.926 1.00 1.03 H new ATOM 0 HB2 ALA A 108 6.106 27.158 6.992 1.00 1.03 H new ATOM 0 HB3 ALA A 108 4.870 28.293 6.400 1.00 1.03 H new ATOM 305 N ASP A 109 2.158 25.956 5.072 1.00 0.73 N ATOM 306 CA ASP A 109 0.661 26.105 5.041 1.00 0.74 C ATOM 307 C ASP A 109 -0.027 24.726 5.051 1.00 0.78 C ATOM 308 O ASP A 109 -1.168 24.609 5.456 1.00 0.96 O ATOM 309 CB ASP A 109 0.304 26.906 3.776 1.00 0.72 C ATOM 310 CG ASP A 109 0.948 26.299 2.535 1.00 1.15 C ATOM 311 OD1 ASP A 109 0.538 25.223 2.136 1.00 1.66 O ATOM 312 OD2 ASP A 109 1.831 26.932 1.992 1.00 1.95 O ATOM 0 H ASP A 109 2.570 25.493 4.262 1.00 0.73 H new ATOM 0 HA ASP A 109 0.308 26.633 5.927 1.00 0.74 H new ATOM 0 HB2 ASP A 109 -0.779 26.930 3.652 1.00 0.72 H new ATOM 0 HB3 ASP A 109 0.634 27.938 3.892 1.00 0.72 H new ATOM 317 N GLY A 110 0.656 23.678 4.639 1.00 0.76 N ATOM 318 CA GLY A 110 0.029 22.319 4.667 1.00 0.85 C ATOM 319 C GLY A 110 -0.125 21.730 3.255 1.00 0.70 C ATOM 320 O GLY A 110 -0.092 20.527 3.085 1.00 0.73 O ATOM 0 H GLY A 110 1.613 23.708 4.288 1.00 0.76 H new ATOM 0 HA2 GLY A 110 0.638 21.650 5.275 1.00 0.85 H new ATOM 0 HA3 GLY A 110 -0.949 22.380 5.144 1.00 0.85 H new ATOM 324 N TYR A 111 -0.309 22.548 2.247 1.00 0.68 N ATOM 325 CA TYR A 111 -0.486 21.999 0.859 1.00 0.60 C ATOM 326 C TYR A 111 0.779 22.211 0.025 1.00 0.58 C ATOM 327 O TYR A 111 1.251 23.317 -0.124 1.00 0.83 O ATOM 328 CB TYR A 111 -1.653 22.789 0.254 1.00 0.68 C ATOM 329 CG TYR A 111 -2.839 22.757 1.190 1.00 0.68 C ATOM 330 CD1 TYR A 111 -3.781 21.729 1.086 1.00 0.78 C ATOM 331 CD2 TYR A 111 -2.995 23.757 2.159 1.00 0.71 C ATOM 332 CE1 TYR A 111 -4.880 21.699 1.951 1.00 0.83 C ATOM 333 CE2 TYR A 111 -4.094 23.725 3.024 1.00 0.78 C ATOM 334 CZ TYR A 111 -5.037 22.697 2.920 1.00 0.80 C ATOM 335 OH TYR A 111 -6.122 22.669 3.771 1.00 0.90 O ATOM 0 H TYR A 111 -0.345 23.565 2.320 1.00 0.68 H new ATOM 0 HA TYR A 111 -0.679 20.926 0.876 1.00 0.60 H new ATOM 0 HB2 TYR A 111 -1.350 23.820 0.073 1.00 0.68 H new ATOM 0 HB3 TYR A 111 -1.929 22.364 -0.711 1.00 0.68 H new ATOM 0 HD1 TYR A 111 -3.660 20.959 0.339 1.00 0.78 H new ATOM 0 HD2 TYR A 111 -2.268 24.551 2.238 1.00 0.71 H new ATOM 0 HE1 TYR A 111 -5.608 20.905 1.871 1.00 0.83 H new ATOM 0 HE2 TYR A 111 -4.214 24.494 3.772 1.00 0.78 H new ATOM 0 HH TYR A 111 -6.078 23.434 4.383 1.00 0.90 H new ATOM 345 N ILE A 112 1.322 21.162 -0.534 1.00 0.50 N ATOM 346 CA ILE A 112 2.558 21.312 -1.367 1.00 0.50 C ATOM 347 C ILE A 112 2.210 21.944 -2.725 1.00 0.49 C ATOM 348 O ILE A 112 1.228 21.589 -3.350 1.00 0.66 O ATOM 349 CB ILE A 112 3.108 19.889 -1.536 1.00 0.50 C ATOM 350 CG1 ILE A 112 3.519 19.347 -0.152 1.00 0.62 C ATOM 351 CG2 ILE A 112 4.322 19.920 -2.477 1.00 0.58 C ATOM 352 CD1 ILE A 112 4.401 18.100 -0.298 1.00 0.66 C ATOM 0 H ILE A 112 0.967 20.209 -0.452 1.00 0.50 H new ATOM 0 HA ILE A 112 3.295 21.967 -0.902 1.00 0.50 H new ATOM 0 HB ILE A 112 2.346 19.239 -1.967 1.00 0.50 H new ATOM 0 HG12 ILE A 112 4.058 20.117 0.400 1.00 0.62 H new ATOM 0 HG13 ILE A 112 2.629 19.103 0.428 1.00 0.62 H new ATOM 0 HG21 ILE A 112 4.714 18.910 -2.598 1.00 0.58 H new ATOM 0 HG22 ILE A 112 4.019 20.311 -3.448 1.00 0.58 H new ATOM 0 HG23 ILE A 112 5.095 20.561 -2.053 1.00 0.58 H new ATOM 0 HD11 ILE A 112 4.680 17.734 0.690 1.00 0.66 H new ATOM 0 HD12 ILE A 112 3.850 17.325 -0.830 1.00 0.66 H new ATOM 0 HD13 ILE A 112 5.301 18.354 -0.858 1.00 0.66 H new ATOM 364 N ASP A 113 3.004 22.888 -3.172 1.00 0.47 N ATOM 365 CA ASP A 113 2.725 23.560 -4.480 1.00 0.50 C ATOM 366 C ASP A 113 3.715 23.097 -5.556 1.00 0.50 C ATOM 367 O ASP A 113 4.648 22.364 -5.284 1.00 0.57 O ATOM 368 CB ASP A 113 2.901 25.054 -4.197 1.00 0.60 C ATOM 369 CG ASP A 113 1.702 25.827 -4.746 1.00 1.17 C ATOM 370 OD1 ASP A 113 1.728 26.172 -5.916 1.00 1.77 O ATOM 371 OD2 ASP A 113 0.778 26.059 -3.986 1.00 1.85 O ATOM 0 H ASP A 113 3.836 23.223 -2.685 1.00 0.47 H new ATOM 0 HA ASP A 113 1.729 23.323 -4.856 1.00 0.50 H new ATOM 0 HB2 ASP A 113 2.994 25.222 -3.124 1.00 0.60 H new ATOM 0 HB3 ASP A 113 3.821 25.415 -4.657 1.00 0.60 H new ATOM 376 N LEU A 114 3.507 23.526 -6.775 1.00 0.52 N ATOM 377 CA LEU A 114 4.414 23.127 -7.902 1.00 0.57 C ATOM 378 C LEU A 114 5.871 23.533 -7.631 1.00 0.63 C ATOM 379 O LEU A 114 6.793 22.819 -7.977 1.00 0.80 O ATOM 380 CB LEU A 114 3.885 23.889 -9.124 1.00 0.62 C ATOM 381 CG LEU A 114 2.931 23.000 -9.927 1.00 0.61 C ATOM 382 CD1 LEU A 114 1.697 23.811 -10.327 1.00 0.91 C ATOM 383 CD2 LEU A 114 3.638 22.505 -11.191 1.00 0.81 C ATOM 0 H LEU A 114 2.740 24.142 -7.043 1.00 0.52 H new ATOM 0 HA LEU A 114 4.415 22.046 -8.040 1.00 0.57 H new ATOM 0 HB2 LEU A 114 3.368 24.793 -8.803 1.00 0.62 H new ATOM 0 HB3 LEU A 114 4.717 24.204 -9.754 1.00 0.62 H new ATOM 0 HG LEU A 114 2.630 22.148 -9.318 1.00 0.61 H new ATOM 0 HD11 LEU A 114 1.017 23.180 -10.899 1.00 0.91 H new ATOM 0 HD12 LEU A 114 1.192 24.171 -9.431 1.00 0.91 H new ATOM 0 HD13 LEU A 114 2.002 24.661 -10.937 1.00 0.91 H new ATOM 0 HD21 LEU A 114 2.960 21.872 -11.763 1.00 0.81 H new ATOM 0 HD22 LEU A 114 3.937 23.359 -11.799 1.00 0.81 H new ATOM 0 HD23 LEU A 114 4.522 21.931 -10.912 1.00 0.81 H new ATOM 395 N ASP A 115 6.085 24.682 -7.039 1.00 0.61 N ATOM 396 CA ASP A 115 7.483 25.145 -6.774 1.00 0.71 C ATOM 397 C ASP A 115 8.093 24.436 -5.557 1.00 0.65 C ATOM 398 O ASP A 115 9.241 24.035 -5.584 1.00 0.89 O ATOM 399 CB ASP A 115 7.357 26.650 -6.517 1.00 0.80 C ATOM 400 CG ASP A 115 8.666 27.358 -6.887 1.00 1.17 C ATOM 401 OD1 ASP A 115 9.226 27.037 -7.926 1.00 1.76 O ATOM 402 OD2 ASP A 115 9.085 28.212 -6.125 1.00 1.76 O ATOM 0 H ASP A 115 5.352 25.320 -6.728 1.00 0.61 H new ATOM 0 HA ASP A 115 8.144 24.920 -7.611 1.00 0.71 H new ATOM 0 HB2 ASP A 115 6.534 27.060 -7.103 1.00 0.80 H new ATOM 0 HB3 ASP A 115 7.121 26.829 -5.468 1.00 0.80 H new ATOM 407 N GLU A 116 7.346 24.278 -4.494 1.00 0.51 N ATOM 408 CA GLU A 116 7.908 23.593 -3.285 1.00 0.48 C ATOM 409 C GLU A 116 8.318 22.146 -3.630 1.00 0.49 C ATOM 410 O GLU A 116 9.251 21.613 -3.063 1.00 0.63 O ATOM 411 CB GLU A 116 6.795 23.613 -2.229 1.00 0.48 C ATOM 412 CG GLU A 116 6.296 25.043 -2.001 1.00 0.57 C ATOM 413 CD GLU A 116 5.144 25.021 -1.001 1.00 0.60 C ATOM 414 OE1 GLU A 116 5.247 24.308 -0.014 1.00 1.36 O ATOM 415 OE2 GLU A 116 4.175 25.717 -1.236 1.00 1.19 O ATOM 0 H GLU A 116 6.379 24.590 -4.408 1.00 0.51 H new ATOM 0 HA GLU A 116 8.803 24.095 -2.918 1.00 0.48 H new ATOM 0 HB2 GLU A 116 5.968 22.980 -2.552 1.00 0.48 H new ATOM 0 HB3 GLU A 116 7.167 23.198 -1.292 1.00 0.48 H new ATOM 0 HG2 GLU A 116 7.107 25.668 -1.626 1.00 0.57 H new ATOM 0 HG3 GLU A 116 5.966 25.480 -2.944 1.00 0.57 H new ATOM 422 N LEU A 117 7.634 21.517 -4.566 1.00 0.48 N ATOM 423 CA LEU A 117 7.987 20.108 -4.962 1.00 0.52 C ATOM 424 C LEU A 117 9.465 20.015 -5.385 1.00 0.58 C ATOM 425 O LEU A 117 10.205 19.175 -4.905 1.00 0.69 O ATOM 426 CB LEU A 117 7.085 19.776 -6.163 1.00 0.55 C ATOM 427 CG LEU A 117 5.644 19.523 -5.704 1.00 0.50 C ATOM 428 CD1 LEU A 117 4.688 19.801 -6.865 1.00 0.58 C ATOM 429 CD2 LEU A 117 5.488 18.065 -5.264 1.00 0.53 C ATOM 0 H LEU A 117 6.846 21.920 -5.073 1.00 0.48 H new ATOM 0 HA LEU A 117 7.842 19.417 -4.132 1.00 0.52 H new ATOM 0 HB2 LEU A 117 7.105 20.599 -6.878 1.00 0.55 H new ATOM 0 HB3 LEU A 117 7.468 18.896 -6.679 1.00 0.55 H new ATOM 0 HG LEU A 117 5.413 20.181 -4.866 1.00 0.50 H new ATOM 0 HD11 LEU A 117 3.662 19.622 -6.543 1.00 0.58 H new ATOM 0 HD12 LEU A 117 4.793 20.838 -7.182 1.00 0.58 H new ATOM 0 HD13 LEU A 117 4.926 19.141 -7.699 1.00 0.58 H new ATOM 0 HD21 LEU A 117 4.462 17.891 -4.939 1.00 0.53 H new ATOM 0 HD22 LEU A 117 5.720 17.406 -6.100 1.00 0.53 H new ATOM 0 HD23 LEU A 117 6.170 17.859 -4.439 1.00 0.53 H new ATOM 441 N LYS A 118 9.892 20.866 -6.288 1.00 0.59 N ATOM 442 CA LYS A 118 11.315 20.830 -6.761 1.00 0.69 C ATOM 443 C LYS A 118 12.262 21.503 -5.752 1.00 0.64 C ATOM 444 O LYS A 118 13.422 21.153 -5.663 1.00 0.73 O ATOM 445 CB LYS A 118 11.310 21.593 -8.096 1.00 0.83 C ATOM 446 CG LYS A 118 11.157 23.098 -7.836 1.00 0.99 C ATOM 447 CD LYS A 118 10.981 23.852 -9.159 1.00 1.35 C ATOM 448 CE LYS A 118 12.115 24.873 -9.332 1.00 1.51 C ATOM 449 NZ LYS A 118 13.178 24.155 -10.095 1.00 1.99 N1+ ATOM 0 H LYS A 118 9.314 21.587 -6.720 1.00 0.59 H new ATOM 0 HA LYS A 118 11.675 19.807 -6.871 1.00 0.69 H new ATOM 0 HB2 LYS A 118 12.236 21.401 -8.638 1.00 0.83 H new ATOM 0 HB3 LYS A 118 10.493 21.239 -8.725 1.00 0.83 H new ATOM 0 HG2 LYS A 118 10.297 23.277 -7.191 1.00 0.99 H new ATOM 0 HG3 LYS A 118 12.034 23.474 -7.309 1.00 0.99 H new ATOM 0 HD2 LYS A 118 10.983 23.149 -9.992 1.00 1.35 H new ATOM 0 HD3 LYS A 118 10.017 24.360 -9.173 1.00 1.35 H new ATOM 0 HE2 LYS A 118 11.771 25.755 -9.872 1.00 1.51 H new ATOM 0 HE3 LYS A 118 12.487 25.215 -8.366 1.00 1.51 H new ATOM 0 HZ1 LYS A 118 13.784 24.847 -10.581 1.00 1.99 H new ATOM 0 HZ2 LYS A 118 13.755 23.590 -9.439 1.00 1.99 H new ATOM 0 HZ3 LYS A 118 12.737 23.527 -10.797 1.00 1.99 H new ATOM 463 N ILE A 119 11.783 22.466 -5.001 1.00 0.68 N ATOM 464 CA ILE A 119 12.667 23.161 -4.007 1.00 0.74 C ATOM 465 C ILE A 119 13.289 22.152 -3.029 1.00 0.75 C ATOM 466 O ILE A 119 14.462 22.229 -2.717 1.00 0.85 O ATOM 467 CB ILE A 119 11.744 24.158 -3.280 1.00 0.98 C ATOM 468 CG1 ILE A 119 11.829 25.516 -3.978 1.00 1.22 C ATOM 469 CG2 ILE A 119 12.166 24.324 -1.814 1.00 1.08 C ATOM 470 CD1 ILE A 119 10.448 26.176 -3.995 1.00 1.06 C ATOM 0 H ILE A 119 10.820 22.801 -5.032 1.00 0.68 H new ATOM 0 HA ILE A 119 13.506 23.667 -4.485 1.00 0.74 H new ATOM 0 HB ILE A 119 10.724 23.775 -3.310 1.00 0.98 H new ATOM 0 HG12 ILE A 119 12.543 26.157 -3.461 1.00 1.22 H new ATOM 0 HG13 ILE A 119 12.195 25.389 -4.997 1.00 1.22 H new ATOM 0 HG21 ILE A 119 11.500 25.032 -1.322 1.00 1.08 H new ATOM 0 HG22 ILE A 119 12.109 23.360 -1.308 1.00 1.08 H new ATOM 0 HG23 ILE A 119 13.189 24.697 -1.770 1.00 1.08 H new ATOM 0 HD11 ILE A 119 10.513 27.143 -4.493 1.00 1.06 H new ATOM 0 HD12 ILE A 119 9.746 25.538 -4.532 1.00 1.06 H new ATOM 0 HD13 ILE A 119 10.100 26.318 -2.972 1.00 1.06 H new ATOM 482 N MET A 120 12.520 21.210 -2.545 1.00 0.85 N ATOM 483 CA MET A 120 13.081 20.205 -1.589 1.00 1.01 C ATOM 484 C MET A 120 13.993 19.211 -2.321 1.00 0.95 C ATOM 485 O MET A 120 14.906 18.654 -1.738 1.00 1.11 O ATOM 486 CB MET A 120 11.865 19.488 -0.998 1.00 1.17 C ATOM 487 CG MET A 120 11.383 20.242 0.243 1.00 1.52 C ATOM 488 SD MET A 120 10.113 21.437 -0.237 1.00 1.88 S ATOM 489 CE MET A 120 8.748 20.261 -0.410 1.00 1.43 C ATOM 0 H MET A 120 11.532 21.093 -2.769 1.00 0.85 H new ATOM 0 HA MET A 120 13.690 20.675 -0.817 1.00 1.01 H new ATOM 0 HB2 MET A 120 11.066 19.434 -1.737 1.00 1.17 H new ATOM 0 HB3 MET A 120 12.126 18.463 -0.736 1.00 1.17 H new ATOM 0 HG2 MET A 120 10.981 19.541 0.975 1.00 1.52 H new ATOM 0 HG3 MET A 120 12.219 20.754 0.719 1.00 1.52 H new ATOM 0 HE1 MET A 120 7.804 20.768 -0.212 1.00 1.43 H new ATOM 0 HE2 MET A 120 8.739 19.860 -1.424 1.00 1.43 H new ATOM 0 HE3 MET A 120 8.878 19.446 0.302 1.00 1.43 H new ATOM 499 N LEU A 121 13.762 18.986 -3.593 1.00 0.87 N ATOM 500 CA LEU A 121 14.627 18.028 -4.351 1.00 0.95 C ATOM 501 C LEU A 121 15.987 18.661 -4.700 1.00 0.87 C ATOM 502 O LEU A 121 16.884 17.976 -5.151 1.00 0.97 O ATOM 503 CB LEU A 121 13.852 17.690 -5.631 1.00 1.09 C ATOM 504 CG LEU A 121 13.244 16.289 -5.509 1.00 1.41 C ATOM 505 CD1 LEU A 121 11.740 16.401 -5.260 1.00 2.03 C ATOM 506 CD2 LEU A 121 13.485 15.515 -6.809 1.00 1.80 C ATOM 0 H LEU A 121 13.016 19.422 -4.136 1.00 0.87 H new ATOM 0 HA LEU A 121 14.841 17.139 -3.758 1.00 0.95 H new ATOM 0 HB2 LEU A 121 13.065 18.426 -5.797 1.00 1.09 H new ATOM 0 HB3 LEU A 121 14.517 17.735 -6.493 1.00 1.09 H new ATOM 0 HG LEU A 121 13.712 15.764 -4.676 1.00 1.41 H new ATOM 0 HD11 LEU A 121 11.310 15.403 -5.174 1.00 2.03 H new ATOM 0 HD12 LEU A 121 11.564 16.953 -4.337 1.00 2.03 H new ATOM 0 HD13 LEU A 121 11.272 16.927 -6.092 1.00 2.03 H new ATOM 0 HD21 LEU A 121 13.053 14.518 -6.724 1.00 1.80 H new ATOM 0 HD22 LEU A 121 13.017 16.044 -7.639 1.00 1.80 H new ATOM 0 HD23 LEU A 121 14.557 15.432 -6.990 1.00 1.80 H new ATOM 518 N GLN A 122 16.156 19.951 -4.498 1.00 0.82 N ATOM 519 CA GLN A 122 17.472 20.601 -4.825 1.00 0.95 C ATOM 520 C GLN A 122 18.619 19.921 -4.058 1.00 1.04 C ATOM 521 O GLN A 122 19.723 19.808 -4.555 1.00 1.19 O ATOM 522 CB GLN A 122 17.330 22.063 -4.382 1.00 1.14 C ATOM 523 CG GLN A 122 16.296 22.779 -5.261 1.00 1.42 C ATOM 524 CD GLN A 122 16.994 23.830 -6.130 1.00 1.85 C ATOM 525 OE1 GLN A 122 17.606 24.748 -5.621 1.00 2.44 O ATOM 526 NE2 GLN A 122 16.924 23.740 -7.429 1.00 2.28 N ATOM 0 H GLN A 122 15.444 20.578 -4.123 1.00 0.82 H new ATOM 0 HA GLN A 122 17.707 20.518 -5.886 1.00 0.95 H new ATOM 0 HB2 GLN A 122 17.024 22.107 -3.337 1.00 1.14 H new ATOM 0 HB3 GLN A 122 18.293 22.569 -4.454 1.00 1.14 H new ATOM 0 HG2 GLN A 122 15.779 22.056 -5.893 1.00 1.42 H new ATOM 0 HG3 GLN A 122 15.540 23.254 -4.636 1.00 1.42 H new ATOM 0 HE21 GLN A 122 16.411 22.971 -7.860 1.00 2.28 H new ATOM 0 HE22 GLN A 122 17.382 24.439 -8.014 1.00 2.28 H new ATOM 535 N ALA A 123 18.363 19.467 -2.854 1.00 1.09 N ATOM 536 CA ALA A 123 19.437 18.794 -2.054 1.00 1.33 C ATOM 537 C ALA A 123 19.678 17.357 -2.555 1.00 1.38 C ATOM 538 O ALA A 123 20.795 16.875 -2.543 1.00 1.62 O ATOM 539 CB ALA A 123 18.917 18.789 -0.613 1.00 1.45 C ATOM 0 H ALA A 123 17.457 19.533 -2.390 1.00 1.09 H new ATOM 0 HA ALA A 123 20.393 19.311 -2.141 1.00 1.33 H new ATOM 0 HB1 ALA A 123 19.650 18.311 0.037 1.00 1.45 H new ATOM 0 HB2 ALA A 123 18.753 19.814 -0.282 1.00 1.45 H new ATOM 0 HB3 ALA A 123 17.978 18.238 -0.567 1.00 1.45 H new ATOM 545 N THR A 124 18.645 16.669 -2.993 1.00 1.29 N ATOM 546 CA THR A 124 18.832 15.262 -3.489 1.00 1.47 C ATOM 547 C THR A 124 19.187 15.240 -4.987 1.00 1.44 C ATOM 548 O THR A 124 19.816 14.314 -5.463 1.00 1.72 O ATOM 549 CB THR A 124 17.494 14.548 -3.236 1.00 1.56 C ATOM 550 OG1 THR A 124 17.688 13.143 -3.332 1.00 2.16 O ATOM 551 CG2 THR A 124 16.453 14.982 -4.273 1.00 1.92 C ATOM 0 H THR A 124 17.687 17.018 -3.029 1.00 1.29 H new ATOM 0 HA THR A 124 19.656 14.769 -2.973 1.00 1.47 H new ATOM 0 HB THR A 124 17.136 14.812 -2.241 1.00 1.56 H new ATOM 0 HG1 THR A 124 16.838 12.684 -3.170 1.00 2.16 H new ATOM 0 HG21 THR A 124 15.511 14.468 -4.080 1.00 1.92 H new ATOM 0 HG22 THR A 124 16.299 16.059 -4.205 1.00 1.92 H new ATOM 0 HG23 THR A 124 16.807 14.728 -5.272 1.00 1.92 H new ATOM 559 N GLY A 125 18.789 16.244 -5.731 1.00 1.26 N ATOM 560 CA GLY A 125 19.103 16.272 -7.192 1.00 1.32 C ATOM 561 C GLY A 125 17.978 16.984 -7.951 1.00 1.26 C ATOM 562 O GLY A 125 16.961 16.395 -8.261 1.00 1.63 O ATOM 0 H GLY A 125 18.260 17.046 -5.388 1.00 1.26 H new ATOM 0 HA2 GLY A 125 20.049 16.786 -7.360 1.00 1.32 H new ATOM 0 HA3 GLY A 125 19.221 15.256 -7.568 1.00 1.32 H new ATOM 566 N GLU A 126 18.160 18.247 -8.252 1.00 1.02 N ATOM 567 CA GLU A 126 17.110 19.011 -8.997 1.00 1.08 C ATOM 568 C GLU A 126 17.770 19.907 -10.057 1.00 0.89 C ATOM 569 O GLU A 126 17.753 21.121 -9.964 1.00 0.87 O ATOM 570 CB GLU A 126 16.391 19.848 -7.929 1.00 1.34 C ATOM 571 CG GLU A 126 14.904 19.969 -8.284 1.00 1.45 C ATOM 572 CD GLU A 126 14.644 21.298 -8.995 1.00 1.61 C ATOM 573 OE1 GLU A 126 14.492 22.295 -8.310 1.00 2.09 O ATOM 574 OE2 GLU A 126 14.591 21.297 -10.213 1.00 2.16 O ATOM 0 H GLU A 126 18.994 18.784 -8.013 1.00 1.02 H new ATOM 0 HA GLU A 126 16.413 18.361 -9.526 1.00 1.08 H new ATOM 0 HB2 GLU A 126 16.505 19.382 -6.950 1.00 1.34 H new ATOM 0 HB3 GLU A 126 16.842 20.838 -7.865 1.00 1.34 H new ATOM 0 HG2 GLU A 126 14.606 19.139 -8.925 1.00 1.45 H new ATOM 0 HG3 GLU A 126 14.299 19.906 -7.379 1.00 1.45 H new ATOM 581 N THR A 127 18.357 19.309 -11.066 1.00 1.09 N ATOM 582 CA THR A 127 19.025 20.110 -12.141 1.00 1.21 C ATOM 583 C THR A 127 18.296 19.904 -13.478 1.00 1.29 C ATOM 584 O THR A 127 18.903 19.598 -14.488 1.00 1.60 O ATOM 585 CB THR A 127 20.461 19.566 -12.214 1.00 1.57 C ATOM 586 OG1 THR A 127 20.430 18.173 -12.498 1.00 1.91 O ATOM 587 CG2 THR A 127 21.174 19.795 -10.879 1.00 2.18 C ATOM 0 H THR A 127 18.402 18.298 -11.192 1.00 1.09 H new ATOM 0 HA THR A 127 19.011 21.180 -11.932 1.00 1.21 H new ATOM 0 HB THR A 127 20.999 20.089 -13.005 1.00 1.57 H new ATOM 0 HG1 THR A 127 21.346 17.828 -12.546 1.00 1.91 H new ATOM 0 HG21 THR A 127 22.191 19.407 -10.938 1.00 2.18 H new ATOM 0 HG22 THR A 127 21.205 20.863 -10.662 1.00 2.18 H new ATOM 0 HG23 THR A 127 20.634 19.279 -10.085 1.00 2.18 H new ATOM 595 N ILE A 128 16.996 20.066 -13.483 1.00 1.08 N ATOM 596 CA ILE A 128 16.206 19.875 -14.746 1.00 1.20 C ATOM 597 C ILE A 128 15.291 21.081 -14.997 1.00 1.18 C ATOM 598 O ILE A 128 15.115 21.929 -14.141 1.00 1.15 O ATOM 599 CB ILE A 128 15.368 18.605 -14.517 1.00 1.12 C ATOM 600 CG1 ILE A 128 14.642 18.698 -13.166 1.00 1.32 C ATOM 601 CG2 ILE A 128 16.283 17.376 -14.526 1.00 1.62 C ATOM 602 CD1 ILE A 128 13.664 17.531 -13.011 1.00 2.03 C ATOM 0 H ILE A 128 16.443 20.323 -12.665 1.00 1.08 H new ATOM 0 HA ILE A 128 16.854 19.782 -15.617 1.00 1.20 H new ATOM 0 HB ILE A 128 14.631 18.513 -15.315 1.00 1.12 H new ATOM 0 HG12 ILE A 128 15.368 18.684 -12.353 1.00 1.32 H new ATOM 0 HG13 ILE A 128 14.105 19.644 -13.098 1.00 1.32 H new ATOM 0 HG21 ILE A 128 15.687 16.478 -14.364 1.00 1.62 H new ATOM 0 HG22 ILE A 128 16.789 17.306 -15.489 1.00 1.62 H new ATOM 0 HG23 ILE A 128 17.024 17.468 -13.732 1.00 1.62 H new ATOM 0 HD11 ILE A 128 13.156 17.608 -12.050 1.00 2.03 H new ATOM 0 HD12 ILE A 128 12.928 17.564 -13.814 1.00 2.03 H new ATOM 0 HD13 ILE A 128 14.211 16.589 -13.058 1.00 2.03 H new ATOM 614 N THR A 129 14.703 21.163 -16.166 1.00 1.34 N ATOM 615 CA THR A 129 13.794 22.315 -16.472 1.00 1.42 C ATOM 616 C THR A 129 12.449 22.144 -15.747 1.00 1.16 C ATOM 617 O THR A 129 12.130 21.077 -15.255 1.00 0.97 O ATOM 618 CB THR A 129 13.609 22.294 -18.000 1.00 1.64 C ATOM 619 OG1 THR A 129 12.998 23.505 -18.422 1.00 2.23 O ATOM 620 CG2 THR A 129 12.724 21.114 -18.410 1.00 2.28 C ATOM 0 H THR A 129 14.812 20.485 -16.920 1.00 1.34 H new ATOM 0 HA THR A 129 14.207 23.265 -16.135 1.00 1.42 H new ATOM 0 HB THR A 129 14.586 22.189 -18.471 1.00 1.64 H new ATOM 0 HG1 THR A 129 12.882 23.491 -19.395 1.00 2.23 H new ATOM 0 HG21 THR A 129 12.601 21.111 -19.493 1.00 2.28 H new ATOM 0 HG22 THR A 129 13.192 20.181 -18.095 1.00 2.28 H new ATOM 0 HG23 THR A 129 11.748 21.209 -17.934 1.00 2.28 H new ATOM 628 N GLU A 130 11.665 23.192 -15.676 1.00 1.31 N ATOM 629 CA GLU A 130 10.335 23.107 -14.979 1.00 1.28 C ATOM 630 C GLU A 130 9.463 21.986 -15.571 1.00 1.16 C ATOM 631 O GLU A 130 8.686 21.371 -14.866 1.00 1.21 O ATOM 632 CB GLU A 130 9.668 24.475 -15.182 1.00 1.69 C ATOM 633 CG GLU A 130 9.680 24.859 -16.667 1.00 2.05 C ATOM 634 CD GLU A 130 10.581 26.079 -16.876 1.00 2.43 C ATOM 635 OE1 GLU A 130 11.778 25.889 -17.025 1.00 3.03 O ATOM 636 OE2 GLU A 130 10.060 27.181 -16.881 1.00 2.70 O ATOM 0 H GLU A 130 11.886 24.106 -16.070 1.00 1.31 H new ATOM 0 HA GLU A 130 10.461 22.871 -13.922 1.00 1.28 H new ATOM 0 HB2 GLU A 130 8.642 24.445 -14.816 1.00 1.69 H new ATOM 0 HB3 GLU A 130 10.192 25.233 -14.599 1.00 1.69 H new ATOM 0 HG2 GLU A 130 10.039 24.022 -17.266 1.00 2.05 H new ATOM 0 HG3 GLU A 130 8.667 25.081 -17.004 1.00 2.05 H new ATOM 643 N ASP A 131 9.590 21.709 -16.850 1.00 1.18 N ATOM 644 CA ASP A 131 8.771 20.619 -17.471 1.00 1.19 C ATOM 645 C ASP A 131 9.078 19.286 -16.779 1.00 1.07 C ATOM 646 O ASP A 131 8.183 18.545 -16.418 1.00 1.14 O ATOM 647 CB ASP A 131 9.194 20.579 -18.942 1.00 1.44 C ATOM 648 CG ASP A 131 7.955 20.692 -19.832 1.00 1.48 C ATOM 649 OD1 ASP A 131 7.183 19.748 -19.862 1.00 2.07 O ATOM 650 OD2 ASP A 131 7.801 21.720 -20.468 1.00 1.91 O ATOM 0 H ASP A 131 10.224 22.190 -17.488 1.00 1.18 H new ATOM 0 HA ASP A 131 7.700 20.795 -17.372 1.00 1.19 H new ATOM 0 HB2 ASP A 131 9.884 21.395 -19.155 1.00 1.44 H new ATOM 0 HB3 ASP A 131 9.724 19.650 -19.154 1.00 1.44 H new ATOM 655 N ASP A 132 10.341 18.994 -16.565 1.00 1.00 N ATOM 656 CA ASP A 132 10.712 17.727 -15.865 1.00 1.03 C ATOM 657 C ASP A 132 10.096 17.733 -14.457 1.00 0.88 C ATOM 658 O ASP A 132 9.686 16.709 -13.941 1.00 1.03 O ATOM 659 CB ASP A 132 12.243 17.737 -15.785 1.00 1.13 C ATOM 660 CG ASP A 132 12.850 17.442 -17.161 1.00 1.39 C ATOM 661 OD1 ASP A 132 12.571 16.384 -17.700 1.00 1.79 O ATOM 662 OD2 ASP A 132 13.596 18.276 -17.645 1.00 1.99 O ATOM 0 H ASP A 132 11.128 19.579 -16.846 1.00 1.00 H new ATOM 0 HA ASP A 132 10.350 16.839 -16.382 1.00 1.03 H new ATOM 0 HB2 ASP A 132 12.589 18.707 -15.428 1.00 1.13 H new ATOM 0 HB3 ASP A 132 12.581 16.993 -15.064 1.00 1.13 H new ATOM 667 N ILE A 133 10.004 18.893 -13.847 1.00 0.75 N ATOM 668 CA ILE A 133 9.385 18.989 -12.488 1.00 0.77 C ATOM 669 C ILE A 133 7.877 18.743 -12.612 1.00 0.70 C ATOM 670 O ILE A 133 7.286 18.033 -11.818 1.00 0.82 O ATOM 671 CB ILE A 133 9.652 20.424 -12.002 1.00 0.87 C ATOM 672 CG1 ILE A 133 11.150 20.760 -12.103 1.00 0.96 C ATOM 673 CG2 ILE A 133 9.197 20.560 -10.548 1.00 1.06 C ATOM 674 CD1 ILE A 133 11.964 19.776 -11.259 1.00 1.00 C ATOM 0 H ILE A 133 10.332 19.778 -14.234 1.00 0.75 H new ATOM 0 HA ILE A 133 9.795 18.257 -11.792 1.00 0.77 H new ATOM 0 HB ILE A 133 9.095 21.117 -12.633 1.00 0.87 H new ATOM 0 HG12 ILE A 133 11.472 20.713 -13.143 1.00 0.96 H new ATOM 0 HG13 ILE A 133 11.327 21.779 -11.760 1.00 0.96 H new ATOM 0 HG21 ILE A 133 9.385 21.576 -10.201 1.00 1.06 H new ATOM 0 HG22 ILE A 133 8.131 20.345 -10.479 1.00 1.06 H new ATOM 0 HG23 ILE A 133 9.750 19.856 -9.926 1.00 1.06 H new ATOM 0 HD11 ILE A 133 13.023 20.021 -11.336 1.00 1.00 H new ATOM 0 HD12 ILE A 133 11.650 19.844 -10.217 1.00 1.00 H new ATOM 0 HD13 ILE A 133 11.799 18.762 -11.622 1.00 1.00 H new ATOM 686 N GLU A 134 7.257 19.318 -13.619 1.00 0.61 N ATOM 687 CA GLU A 134 5.790 19.117 -13.824 1.00 0.64 C ATOM 688 C GLU A 134 5.487 17.621 -13.992 1.00 0.64 C ATOM 689 O GLU A 134 4.438 17.154 -13.600 1.00 0.76 O ATOM 690 CB GLU A 134 5.451 19.890 -15.100 1.00 0.73 C ATOM 691 CG GLU A 134 5.120 21.343 -14.744 1.00 0.89 C ATOM 692 CD GLU A 134 5.269 22.226 -15.983 1.00 1.21 C ATOM 693 OE1 GLU A 134 4.325 22.298 -16.751 1.00 1.87 O ATOM 694 OE2 GLU A 134 6.324 22.817 -16.140 1.00 1.86 O ATOM 0 H GLU A 134 7.709 19.919 -14.308 1.00 0.61 H new ATOM 0 HA GLU A 134 5.200 19.468 -12.978 1.00 0.64 H new ATOM 0 HB2 GLU A 134 6.292 19.857 -15.793 1.00 0.73 H new ATOM 0 HB3 GLU A 134 4.604 19.426 -15.605 1.00 0.73 H new ATOM 0 HG2 GLU A 134 4.103 21.410 -14.359 1.00 0.89 H new ATOM 0 HG3 GLU A 134 5.784 21.694 -13.954 1.00 0.89 H new ATOM 701 N GLU A 135 6.411 16.865 -14.552 1.00 0.59 N ATOM 702 CA GLU A 135 6.187 15.391 -14.718 1.00 0.67 C ATOM 703 C GLU A 135 5.789 14.780 -13.369 1.00 0.74 C ATOM 704 O GLU A 135 4.838 14.025 -13.277 1.00 0.91 O ATOM 705 CB GLU A 135 7.529 14.827 -15.200 1.00 0.72 C ATOM 706 CG GLU A 135 7.335 14.102 -16.536 1.00 1.16 C ATOM 707 CD GLU A 135 6.990 15.114 -17.631 1.00 1.56 C ATOM 708 OE1 GLU A 135 7.870 15.863 -18.020 1.00 2.29 O ATOM 709 OE2 GLU A 135 5.848 15.126 -18.059 1.00 2.03 O ATOM 0 H GLU A 135 7.307 17.207 -14.899 1.00 0.59 H new ATOM 0 HA GLU A 135 5.388 15.165 -15.424 1.00 0.67 H new ATOM 0 HB2 GLU A 135 8.253 15.634 -15.315 1.00 0.72 H new ATOM 0 HB3 GLU A 135 7.933 14.139 -14.457 1.00 0.72 H new ATOM 0 HG2 GLU A 135 8.243 13.561 -16.802 1.00 1.16 H new ATOM 0 HG3 GLU A 135 6.538 13.363 -16.447 1.00 1.16 H new ATOM 716 N LEU A 136 6.487 15.134 -12.314 1.00 0.73 N ATOM 717 CA LEU A 136 6.126 14.610 -10.960 1.00 0.87 C ATOM 718 C LEU A 136 4.790 15.237 -10.519 1.00 0.81 C ATOM 719 O LEU A 136 4.002 14.620 -9.832 1.00 1.00 O ATOM 720 CB LEU A 136 7.266 15.051 -10.027 1.00 0.99 C ATOM 721 CG LEU A 136 8.493 14.153 -10.226 1.00 1.09 C ATOM 722 CD1 LEU A 136 9.720 15.026 -10.502 1.00 1.74 C ATOM 723 CD2 LEU A 136 8.736 13.321 -8.957 1.00 1.75 C ATOM 0 H LEU A 136 7.290 15.763 -12.334 1.00 0.73 H new ATOM 0 HA LEU A 136 6.006 13.527 -10.948 1.00 0.87 H new ATOM 0 HB2 LEU A 136 7.530 16.089 -10.229 1.00 0.99 H new ATOM 0 HB3 LEU A 136 6.936 15.002 -8.989 1.00 0.99 H new ATOM 0 HG LEU A 136 8.320 13.485 -11.069 1.00 1.09 H new ATOM 0 HD11 LEU A 136 10.594 14.391 -10.644 1.00 1.74 H new ATOM 0 HD12 LEU A 136 9.551 15.617 -11.402 1.00 1.74 H new ATOM 0 HD13 LEU A 136 9.890 15.693 -9.657 1.00 1.74 H new ATOM 0 HD21 LEU A 136 9.608 12.684 -9.101 1.00 1.75 H new ATOM 0 HD22 LEU A 136 8.909 13.988 -8.112 1.00 1.75 H new ATOM 0 HD23 LEU A 136 7.863 12.700 -8.756 1.00 1.75 H new ATOM 735 N MET A 137 4.534 16.463 -10.922 1.00 0.67 N ATOM 736 CA MET A 137 3.255 17.143 -10.541 1.00 0.71 C ATOM 737 C MET A 137 2.060 16.617 -11.361 1.00 0.68 C ATOM 738 O MET A 137 0.923 16.808 -10.978 1.00 0.70 O ATOM 739 CB MET A 137 3.495 18.630 -10.830 1.00 0.82 C ATOM 740 CG MET A 137 2.357 19.468 -10.232 1.00 0.99 C ATOM 741 SD MET A 137 2.116 19.019 -8.494 1.00 0.94 S ATOM 742 CE MET A 137 1.228 20.509 -7.969 1.00 0.53 C ATOM 0 H MET A 137 5.161 17.022 -11.501 1.00 0.67 H new ATOM 0 HA MET A 137 3.003 16.956 -9.497 1.00 0.71 H new ATOM 0 HB2 MET A 137 4.450 18.942 -10.407 1.00 0.82 H new ATOM 0 HB3 MET A 137 3.554 18.796 -11.906 1.00 0.82 H new ATOM 0 HG2 MET A 137 2.592 20.529 -10.314 1.00 0.99 H new ATOM 0 HG3 MET A 137 1.437 19.301 -10.792 1.00 0.99 H new ATOM 0 HE1 MET A 137 1.878 21.118 -7.341 1.00 0.53 H new ATOM 0 HE2 MET A 137 0.930 21.083 -8.846 1.00 0.53 H new ATOM 0 HE3 MET A 137 0.341 20.224 -7.403 1.00 0.53 H new ATOM 752 N LYS A 138 2.291 15.964 -12.479 1.00 0.76 N ATOM 753 CA LYS A 138 1.137 15.446 -13.286 1.00 0.82 C ATOM 754 C LYS A 138 0.407 14.342 -12.513 1.00 0.72 C ATOM 755 O LYS A 138 -0.793 14.398 -12.336 1.00 0.84 O ATOM 756 CB LYS A 138 1.740 14.885 -14.577 1.00 0.99 C ATOM 757 CG LYS A 138 1.692 15.953 -15.678 1.00 1.57 C ATOM 758 CD LYS A 138 3.117 16.317 -16.108 1.00 2.09 C ATOM 759 CE LYS A 138 3.132 16.671 -17.599 1.00 2.74 C ATOM 760 NZ LYS A 138 4.349 17.515 -17.795 1.00 3.43 N1+ ATOM 0 H LYS A 138 3.216 15.770 -12.863 1.00 0.76 H new ATOM 0 HA LYS A 138 0.410 16.231 -13.497 1.00 0.82 H new ATOM 0 HB2 LYS A 138 2.770 14.574 -14.403 1.00 0.99 H new ATOM 0 HB3 LYS A 138 1.189 13.999 -14.892 1.00 0.99 H new ATOM 0 HG2 LYS A 138 1.127 15.582 -16.533 1.00 1.57 H new ATOM 0 HG3 LYS A 138 1.174 16.840 -15.315 1.00 1.57 H new ATOM 0 HD2 LYS A 138 3.480 17.160 -15.520 1.00 2.09 H new ATOM 0 HD3 LYS A 138 3.790 15.481 -15.916 1.00 2.09 H new ATOM 0 HE2 LYS A 138 3.173 15.773 -18.215 1.00 2.74 H new ATOM 0 HE3 LYS A 138 2.229 17.212 -17.883 1.00 2.74 H new ATOM 0 HZ1 LYS A 138 4.122 18.311 -18.425 1.00 3.43 H new ATOM 0 HZ2 LYS A 138 4.669 17.882 -16.876 1.00 3.43 H new ATOM 0 HZ3 LYS A 138 5.105 16.941 -18.221 1.00 3.43 H new ATOM 774 N ASP A 139 1.120 13.344 -12.045 1.00 0.75 N ATOM 775 CA ASP A 139 0.453 12.247 -11.275 1.00 0.78 C ATOM 776 C ASP A 139 -0.060 12.780 -9.928 1.00 0.70 C ATOM 777 O ASP A 139 -1.101 12.368 -9.454 1.00 0.81 O ATOM 778 CB ASP A 139 1.526 11.172 -11.066 1.00 0.97 C ATOM 779 CG ASP A 139 0.857 9.827 -10.764 1.00 1.16 C ATOM 780 OD1 ASP A 139 0.163 9.321 -11.632 1.00 1.69 O ATOM 781 OD2 ASP A 139 1.048 9.326 -9.670 1.00 1.66 O ATOM 0 H ASP A 139 2.128 13.242 -12.162 1.00 0.75 H new ATOM 0 HA ASP A 139 -0.410 11.845 -11.805 1.00 0.78 H new ATOM 0 HB2 ASP A 139 2.148 11.088 -11.957 1.00 0.97 H new ATOM 0 HB3 ASP A 139 2.183 11.455 -10.244 1.00 0.97 H new ATOM 786 N GLY A 140 0.649 13.705 -9.318 1.00 0.64 N ATOM 787 CA GLY A 140 0.182 14.271 -8.016 1.00 0.62 C ATOM 788 C GLY A 140 -0.996 15.208 -8.282 1.00 0.57 C ATOM 789 O GLY A 140 -2.092 14.998 -7.795 1.00 0.65 O ATOM 0 H GLY A 140 1.527 14.089 -9.667 1.00 0.64 H new ATOM 0 HA2 GLY A 140 -0.118 13.469 -7.342 1.00 0.62 H new ATOM 0 HA3 GLY A 140 0.992 14.812 -7.527 1.00 0.62 H new ATOM 793 N ASP A 141 -0.779 16.231 -9.064 1.00 0.56 N ATOM 794 CA ASP A 141 -1.878 17.186 -9.387 1.00 0.56 C ATOM 795 C ASP A 141 -2.426 16.897 -10.788 1.00 0.58 C ATOM 796 O ASP A 141 -2.245 17.673 -11.711 1.00 0.64 O ATOM 797 CB ASP A 141 -1.234 18.576 -9.333 1.00 0.60 C ATOM 798 CG ASP A 141 -2.259 19.597 -8.841 1.00 0.75 C ATOM 799 OD1 ASP A 141 -3.318 19.682 -9.437 1.00 1.14 O ATOM 800 OD2 ASP A 141 -1.972 20.272 -7.871 1.00 1.23 O ATOM 0 H ASP A 141 0.119 16.448 -9.496 1.00 0.56 H new ATOM 0 HA ASP A 141 -2.715 17.105 -8.693 1.00 0.56 H new ATOM 0 HB2 ASP A 141 -0.371 18.562 -8.667 1.00 0.60 H new ATOM 0 HB3 ASP A 141 -0.870 18.858 -10.321 1.00 0.60 H new ATOM 805 N LYS A 142 -3.101 15.787 -10.953 1.00 0.62 N ATOM 806 CA LYS A 142 -3.670 15.450 -12.296 1.00 0.70 C ATOM 807 C LYS A 142 -4.690 16.519 -12.726 1.00 0.79 C ATOM 808 O LYS A 142 -4.901 16.745 -13.901 1.00 0.92 O ATOM 809 CB LYS A 142 -4.343 14.086 -12.125 1.00 0.79 C ATOM 810 CG LYS A 142 -3.351 12.978 -12.497 1.00 0.88 C ATOM 811 CD LYS A 142 -4.010 11.610 -12.292 1.00 1.37 C ATOM 812 CE LYS A 142 -2.940 10.513 -12.272 1.00 1.79 C ATOM 813 NZ LYS A 142 -2.527 10.396 -10.845 1.00 2.44 N1+ ATOM 0 H LYS A 142 -3.283 15.102 -10.220 1.00 0.62 H new ATOM 0 HA LYS A 142 -2.903 15.420 -13.070 1.00 0.70 H new ATOM 0 HB2 LYS A 142 -4.677 13.960 -11.095 1.00 0.79 H new ATOM 0 HB3 LYS A 142 -5.229 14.023 -12.757 1.00 0.79 H new ATOM 0 HG2 LYS A 142 -3.037 13.090 -13.535 1.00 0.88 H new ATOM 0 HG3 LYS A 142 -2.454 13.057 -11.882 1.00 0.88 H new ATOM 0 HD2 LYS A 142 -4.569 11.602 -11.356 1.00 1.37 H new ATOM 0 HD3 LYS A 142 -4.725 11.418 -13.092 1.00 1.37 H new ATOM 0 HE2 LYS A 142 -3.337 9.569 -12.646 1.00 1.79 H new ATOM 0 HE3 LYS A 142 -2.094 10.777 -12.906 1.00 1.79 H new ATOM 0 HZ1 LYS A 142 -1.954 9.537 -10.719 1.00 2.44 H new ATOM 0 HZ2 LYS A 142 -1.966 11.230 -10.577 1.00 2.44 H new ATOM 0 HZ3 LYS A 142 -3.373 10.339 -10.242 1.00 2.44 H new ATOM 827 N ASN A 143 -5.302 17.196 -11.778 1.00 0.80 N ATOM 828 CA ASN A 143 -6.287 18.272 -12.126 1.00 0.95 C ATOM 829 C ASN A 143 -5.537 19.533 -12.595 1.00 0.92 C ATOM 830 O ASN A 143 -6.094 20.374 -13.274 1.00 1.08 O ATOM 831 CB ASN A 143 -7.068 18.568 -10.835 1.00 1.07 C ATOM 832 CG ASN A 143 -7.435 17.263 -10.120 1.00 1.36 C ATOM 833 OD1 ASN A 143 -8.279 16.521 -10.580 1.00 1.95 O ATOM 834 ND2 ASN A 143 -6.829 16.950 -9.007 1.00 1.70 N ATOM 0 H ASN A 143 -5.161 17.049 -10.779 1.00 0.80 H new ATOM 0 HA ASN A 143 -6.954 17.964 -12.931 1.00 0.95 H new ATOM 0 HB2 ASN A 143 -6.468 19.195 -10.175 1.00 1.07 H new ATOM 0 HB3 ASN A 143 -7.973 19.128 -11.070 1.00 1.07 H new ATOM 0 HD21 ASN A 143 -7.065 16.083 -8.524 1.00 1.70 H new ATOM 0 HD22 ASN A 143 -6.120 17.573 -8.620 1.00 1.70 H new ATOM 841 N ASN A 144 -4.274 19.658 -12.233 1.00 0.86 N ATOM 842 CA ASN A 144 -3.448 20.842 -12.644 1.00 0.93 C ATOM 843 C ASN A 144 -3.922 22.132 -11.952 1.00 1.03 C ATOM 844 O ASN A 144 -3.773 23.218 -12.483 1.00 1.71 O ATOM 845 CB ASN A 144 -3.597 20.941 -14.167 1.00 1.08 C ATOM 846 CG ASN A 144 -2.276 21.406 -14.783 1.00 1.49 C ATOM 847 OD1 ASN A 144 -2.201 22.475 -15.353 1.00 2.18 O ATOM 848 ND2 ASN A 144 -1.222 20.643 -14.691 1.00 1.97 N ATOM 0 H ASN A 144 -3.776 18.976 -11.661 1.00 0.86 H new ATOM 0 HA ASN A 144 -2.406 20.718 -12.350 1.00 0.93 H new ATOM 0 HB2 ASN A 144 -3.881 19.972 -14.578 1.00 1.08 H new ATOM 0 HB3 ASN A 144 -4.394 21.640 -14.420 1.00 1.08 H new ATOM 0 HD21 ASN A 144 -0.337 20.945 -15.098 1.00 1.97 H new ATOM 0 HD22 ASN A 144 -1.283 19.744 -14.212 1.00 1.97 H new ATOM 855 N ASP A 145 -4.462 22.031 -10.759 1.00 0.88 N ATOM 856 CA ASP A 145 -4.908 23.268 -10.036 1.00 0.92 C ATOM 857 C ASP A 145 -3.705 23.938 -9.346 1.00 0.91 C ATOM 858 O ASP A 145 -3.733 25.119 -9.047 1.00 1.07 O ATOM 859 CB ASP A 145 -5.976 22.827 -9.016 1.00 0.93 C ATOM 860 CG ASP A 145 -5.514 21.610 -8.208 1.00 1.40 C ATOM 861 OD1 ASP A 145 -4.685 21.779 -7.332 1.00 2.06 O ATOM 862 OD2 ASP A 145 -6.009 20.528 -8.471 1.00 1.89 O ATOM 0 H ASP A 145 -4.612 21.155 -10.258 1.00 0.88 H new ATOM 0 HA ASP A 145 -5.328 24.005 -10.721 1.00 0.92 H new ATOM 0 HB2 ASP A 145 -6.196 23.652 -8.339 1.00 0.93 H new ATOM 0 HB3 ASP A 145 -6.902 22.588 -9.538 1.00 0.93 H new ATOM 867 N GLY A 146 -2.637 23.204 -9.120 1.00 0.84 N ATOM 868 CA GLY A 146 -1.422 23.807 -8.488 1.00 0.92 C ATOM 869 C GLY A 146 -1.374 23.552 -6.975 1.00 0.66 C ATOM 870 O GLY A 146 -0.501 24.059 -6.298 1.00 0.74 O ATOM 0 H GLY A 146 -2.557 22.213 -9.347 1.00 0.84 H new ATOM 0 HA2 GLY A 146 -0.528 23.393 -8.954 1.00 0.92 H new ATOM 0 HA3 GLY A 146 -1.411 24.881 -8.675 1.00 0.92 H new ATOM 874 N ARG A 147 -2.288 22.786 -6.431 1.00 0.56 N ATOM 875 CA ARG A 147 -2.260 22.529 -4.955 1.00 0.54 C ATOM 876 C ARG A 147 -2.275 21.023 -4.665 1.00 0.46 C ATOM 877 O ARG A 147 -3.105 20.294 -5.172 1.00 0.45 O ATOM 878 CB ARG A 147 -3.531 23.187 -4.402 1.00 0.77 C ATOM 879 CG ARG A 147 -3.610 24.657 -4.834 1.00 1.39 C ATOM 880 CD ARG A 147 -2.463 25.454 -4.202 1.00 1.79 C ATOM 881 NE ARG A 147 -2.580 26.823 -4.788 1.00 2.55 N ATOM 882 CZ ARG A 147 -1.754 27.214 -5.719 1.00 2.87 C ATOM 883 NH1 ARG A 147 -1.926 26.819 -6.948 1.00 3.10 N ATOM 884 NH2 ARG A 147 -0.764 28.007 -5.422 1.00 3.37 N1+ ATOM 0 H ARG A 147 -3.046 22.331 -6.939 1.00 0.56 H new ATOM 0 HA ARG A 147 -1.357 22.931 -4.496 1.00 0.54 H new ATOM 0 HB2 ARG A 147 -4.410 22.650 -4.759 1.00 0.77 H new ATOM 0 HB3 ARG A 147 -3.537 23.121 -3.314 1.00 0.77 H new ATOM 0 HG2 ARG A 147 -3.557 24.728 -5.920 1.00 1.39 H new ATOM 0 HG3 ARG A 147 -4.568 25.082 -4.533 1.00 1.39 H new ATOM 0 HD2 ARG A 147 -2.551 25.480 -3.116 1.00 1.79 H new ATOM 0 HD3 ARG A 147 -1.496 25.006 -4.433 1.00 1.79 H new ATOM 0 HE ARG A 147 -3.309 27.455 -4.459 1.00 2.55 H new ATOM 0 HH11 ARG A 147 -2.706 26.205 -7.182 1.00 3.10 H new ATOM 0 HH12 ARG A 147 -1.281 27.124 -7.677 1.00 3.10 H new ATOM 0 HH21 ARG A 147 -0.634 28.323 -4.461 1.00 3.37 H new ATOM 0 HH22 ARG A 147 -0.119 28.312 -6.151 1.00 3.37 H new ATOM 898 N ILE A 148 -1.366 20.555 -3.843 1.00 0.49 N ATOM 899 CA ILE A 148 -1.328 19.095 -3.515 1.00 0.44 C ATOM 900 C ILE A 148 -1.725 18.866 -2.047 1.00 0.46 C ATOM 901 O ILE A 148 -1.148 19.438 -1.141 1.00 0.63 O ATOM 902 CB ILE A 148 0.121 18.659 -3.764 1.00 0.46 C ATOM 903 CG1 ILE A 148 0.541 19.047 -5.189 1.00 0.56 C ATOM 904 CG2 ILE A 148 0.224 17.142 -3.608 1.00 0.47 C ATOM 905 CD1 ILE A 148 1.894 18.410 -5.524 1.00 0.63 C ATOM 0 H ILE A 148 -0.650 21.120 -3.386 1.00 0.49 H new ATOM 0 HA ILE A 148 -2.028 18.521 -4.122 1.00 0.44 H new ATOM 0 HB ILE A 148 0.775 19.152 -3.045 1.00 0.46 H new ATOM 0 HG12 ILE A 148 -0.213 18.716 -5.903 1.00 0.56 H new ATOM 0 HG13 ILE A 148 0.608 20.131 -5.275 1.00 0.56 H new ATOM 0 HG21 ILE A 148 1.253 16.827 -3.784 1.00 0.47 H new ATOM 0 HG22 ILE A 148 -0.074 16.859 -2.599 1.00 0.47 H new ATOM 0 HG23 ILE A 148 -0.433 16.657 -4.330 1.00 0.47 H new ATOM 0 HD11 ILE A 148 2.187 18.689 -6.536 1.00 0.63 H new ATOM 0 HD12 ILE A 148 2.647 18.762 -4.819 1.00 0.63 H new ATOM 0 HD13 ILE A 148 1.812 17.325 -5.456 1.00 0.63 H new ATOM 917 N ASP A 149 -2.716 18.037 -1.818 1.00 0.48 N ATOM 918 CA ASP A 149 -3.178 17.761 -0.418 1.00 0.53 C ATOM 919 C ASP A 149 -2.692 16.382 0.064 1.00 0.53 C ATOM 920 O ASP A 149 -1.961 15.691 -0.623 1.00 0.63 O ATOM 921 CB ASP A 149 -4.709 17.785 -0.511 1.00 0.58 C ATOM 922 CG ASP A 149 -5.317 18.452 0.728 1.00 1.05 C ATOM 923 OD1 ASP A 149 -4.816 18.222 1.819 1.00 1.65 O ATOM 924 OD2 ASP A 149 -6.284 19.176 0.565 1.00 1.84 O ATOM 0 H ASP A 149 -3.228 17.536 -2.544 1.00 0.48 H new ATOM 0 HA ASP A 149 -2.787 18.488 0.293 1.00 0.53 H new ATOM 0 HB2 ASP A 149 -5.015 18.324 -1.407 1.00 0.58 H new ATOM 0 HB3 ASP A 149 -5.089 16.768 -0.606 1.00 0.58 H new ATOM 929 N TYR A 150 -3.105 15.982 1.245 1.00 0.58 N ATOM 930 CA TYR A 150 -2.688 14.652 1.797 1.00 0.60 C ATOM 931 C TYR A 150 -3.376 13.507 1.033 1.00 0.59 C ATOM 932 O TYR A 150 -2.759 12.500 0.736 1.00 0.63 O ATOM 933 CB TYR A 150 -3.136 14.674 3.265 1.00 0.73 C ATOM 934 CG TYR A 150 -2.296 13.717 4.084 1.00 0.72 C ATOM 935 CD1 TYR A 150 -2.424 12.336 3.893 1.00 1.22 C ATOM 936 CD2 TYR A 150 -1.406 14.209 5.048 1.00 1.15 C ATOM 937 CE1 TYR A 150 -1.666 11.448 4.662 1.00 1.56 C ATOM 938 CE2 TYR A 150 -0.643 13.319 5.816 1.00 1.43 C ATOM 939 CZ TYR A 150 -0.775 11.938 5.624 1.00 1.48 C ATOM 940 OH TYR A 150 -0.026 11.061 6.384 1.00 1.96 O ATOM 0 H TYR A 150 -3.718 16.524 1.854 1.00 0.58 H new ATOM 0 HA TYR A 150 -1.615 14.486 1.700 1.00 0.60 H new ATOM 0 HB2 TYR A 150 -3.044 15.684 3.665 1.00 0.73 H new ATOM 0 HB3 TYR A 150 -4.188 14.397 3.336 1.00 0.73 H new ATOM 0 HD1 TYR A 150 -3.110 11.956 3.150 1.00 1.22 H new ATOM 0 HD2 TYR A 150 -1.308 15.274 5.199 1.00 1.15 H new ATOM 0 HE1 TYR A 150 -1.768 10.383 4.514 1.00 1.56 H new ATOM 0 HE2 TYR A 150 0.047 13.698 6.556 1.00 1.43 H new ATOM 0 HH TYR A 150 -0.486 10.197 6.435 1.00 1.96 H new ATOM 950 N ASP A 151 -4.641 13.651 0.704 1.00 0.64 N ATOM 951 CA ASP A 151 -5.346 12.564 -0.050 1.00 0.70 C ATOM 952 C ASP A 151 -4.740 12.426 -1.456 1.00 0.63 C ATOM 953 O ASP A 151 -4.548 11.329 -1.950 1.00 0.77 O ATOM 954 CB ASP A 151 -6.826 12.985 -0.106 1.00 0.79 C ATOM 955 CG ASP A 151 -7.034 14.100 -1.136 1.00 1.24 C ATOM 956 OD1 ASP A 151 -6.732 15.238 -0.818 1.00 1.90 O ATOM 957 OD2 ASP A 151 -7.493 13.796 -2.223 1.00 1.83 O ATOM 0 H ASP A 151 -5.211 14.468 0.924 1.00 0.64 H new ATOM 0 HA ASP A 151 -5.242 11.591 0.430 1.00 0.70 H new ATOM 0 HB2 ASP A 151 -7.444 12.125 -0.364 1.00 0.79 H new ATOM 0 HB3 ASP A 151 -7.149 13.327 0.877 1.00 0.79 H new ATOM 962 N GLU A 152 -4.413 13.530 -2.091 1.00 0.54 N ATOM 963 CA GLU A 152 -3.791 13.464 -3.452 1.00 0.56 C ATOM 964 C GLU A 152 -2.365 12.906 -3.334 1.00 0.52 C ATOM 965 O GLU A 152 -1.883 12.218 -4.214 1.00 0.65 O ATOM 966 CB GLU A 152 -3.771 14.911 -3.964 1.00 0.60 C ATOM 967 CG GLU A 152 -5.195 15.362 -4.302 1.00 0.77 C ATOM 968 CD GLU A 152 -5.142 16.613 -5.183 1.00 0.72 C ATOM 969 OE1 GLU A 152 -4.967 17.691 -4.640 1.00 1.17 O ATOM 970 OE2 GLU A 152 -5.272 16.474 -6.389 1.00 1.40 O ATOM 0 H GLU A 152 -4.551 14.472 -1.724 1.00 0.54 H new ATOM 0 HA GLU A 152 -4.340 12.813 -4.132 1.00 0.56 H new ATOM 0 HB2 GLU A 152 -3.342 15.568 -3.208 1.00 0.60 H new ATOM 0 HB3 GLU A 152 -3.137 14.985 -4.848 1.00 0.60 H new ATOM 0 HG2 GLU A 152 -5.727 14.563 -4.819 1.00 0.77 H new ATOM 0 HG3 GLU A 152 -5.747 15.573 -3.386 1.00 0.77 H new ATOM 977 N PHE A 153 -1.698 13.194 -2.237 1.00 0.46 N ATOM 978 CA PHE A 153 -0.308 12.685 -2.015 1.00 0.46 C ATOM 979 C PHE A 153 -0.278 11.155 -2.151 1.00 0.50 C ATOM 980 O PHE A 153 0.601 10.598 -2.780 1.00 0.64 O ATOM 981 CB PHE A 153 0.018 13.113 -0.580 1.00 0.49 C ATOM 982 CG PHE A 153 1.481 12.915 -0.280 1.00 0.48 C ATOM 983 CD1 PHE A 153 2.445 13.728 -0.886 1.00 0.52 C ATOM 984 CD2 PHE A 153 1.868 11.922 0.623 1.00 0.62 C ATOM 985 CE1 PHE A 153 3.800 13.544 -0.588 1.00 0.61 C ATOM 986 CE2 PHE A 153 3.222 11.739 0.923 1.00 0.73 C ATOM 987 CZ PHE A 153 4.188 12.550 0.316 1.00 0.68 C ATOM 0 H PHE A 153 -2.066 13.768 -1.478 1.00 0.46 H new ATOM 0 HA PHE A 153 0.411 13.074 -2.737 1.00 0.46 H new ATOM 0 HB2 PHE A 153 -0.248 14.161 -0.439 1.00 0.49 H new ATOM 0 HB3 PHE A 153 -0.583 12.535 0.122 1.00 0.49 H new ATOM 0 HD1 PHE A 153 2.144 14.496 -1.583 1.00 0.52 H new ATOM 0 HD2 PHE A 153 1.122 11.296 1.089 1.00 0.62 H new ATOM 0 HE1 PHE A 153 4.546 14.169 -1.056 1.00 0.61 H new ATOM 0 HE2 PHE A 153 3.522 10.973 1.622 1.00 0.73 H new ATOM 0 HZ PHE A 153 5.234 12.408 0.546 1.00 0.68 H new ATOM 997 N LEU A 154 -1.240 10.475 -1.574 1.00 0.53 N ATOM 998 CA LEU A 154 -1.278 8.982 -1.677 1.00 0.62 C ATOM 999 C LEU A 154 -1.400 8.552 -3.144 1.00 0.65 C ATOM 1000 O LEU A 154 -0.804 7.574 -3.560 1.00 0.83 O ATOM 1001 CB LEU A 154 -2.510 8.548 -0.871 1.00 0.75 C ATOM 1002 CG LEU A 154 -2.063 7.724 0.343 1.00 0.91 C ATOM 1003 CD1 LEU A 154 -0.959 8.473 1.093 1.00 1.65 C ATOM 1004 CD2 LEU A 154 -3.251 7.503 1.283 1.00 1.20 C ATOM 0 H LEU A 154 -2.001 10.890 -1.036 1.00 0.53 H new ATOM 0 HA LEU A 154 -0.368 8.521 -1.292 1.00 0.62 H new ATOM 0 HB2 LEU A 154 -3.070 9.424 -0.543 1.00 0.75 H new ATOM 0 HB3 LEU A 154 -3.179 7.958 -1.498 1.00 0.75 H new ATOM 0 HG LEU A 154 -1.685 6.760 0.002 1.00 0.91 H new ATOM 0 HD11 LEU A 154 -0.642 7.886 1.955 1.00 1.65 H new ATOM 0 HD12 LEU A 154 -0.109 8.629 0.429 1.00 1.65 H new ATOM 0 HD13 LEU A 154 -1.338 9.438 1.430 1.00 1.65 H new ATOM 0 HD21 LEU A 154 -2.930 6.917 2.144 1.00 1.20 H new ATOM 0 HD22 LEU A 154 -3.631 8.467 1.621 1.00 1.20 H new ATOM 0 HD23 LEU A 154 -4.039 6.967 0.754 1.00 1.20 H new ATOM 1016 N GLU A 155 -2.153 9.280 -3.934 1.00 0.69 N ATOM 1017 CA GLU A 155 -2.299 8.917 -5.378 1.00 0.81 C ATOM 1018 C GLU A 155 -0.936 8.998 -6.086 1.00 0.76 C ATOM 1019 O GLU A 155 -0.597 8.145 -6.883 1.00 0.90 O ATOM 1020 CB GLU A 155 -3.280 9.942 -5.961 1.00 0.97 C ATOM 1021 CG GLU A 155 -4.385 9.210 -6.732 1.00 1.41 C ATOM 1022 CD GLU A 155 -4.051 9.194 -8.225 1.00 2.06 C ATOM 1023 OE1 GLU A 155 -3.224 8.388 -8.621 1.00 2.57 O ATOM 1024 OE2 GLU A 155 -4.627 9.987 -8.953 1.00 2.77 O ATOM 0 H GLU A 155 -2.672 10.108 -3.641 1.00 0.69 H new ATOM 0 HA GLU A 155 -2.663 7.898 -5.510 1.00 0.81 H new ATOM 0 HB2 GLU A 155 -3.715 10.541 -5.161 1.00 0.97 H new ATOM 0 HB3 GLU A 155 -2.754 10.629 -6.623 1.00 0.97 H new ATOM 0 HG2 GLU A 155 -4.485 8.190 -6.361 1.00 1.41 H new ATOM 0 HG3 GLU A 155 -5.343 9.704 -6.569 1.00 1.41 H new ATOM 1031 N PHE A 156 -0.146 10.010 -5.796 1.00 0.66 N ATOM 1032 CA PHE A 156 1.195 10.125 -6.457 1.00 0.77 C ATOM 1033 C PHE A 156 2.165 9.066 -5.917 1.00 0.71 C ATOM 1034 O PHE A 156 2.969 8.529 -6.655 1.00 0.88 O ATOM 1035 CB PHE A 156 1.710 11.532 -6.134 1.00 0.84 C ATOM 1036 CG PHE A 156 3.088 11.696 -6.736 1.00 1.01 C ATOM 1037 CD1 PHE A 156 3.223 12.021 -8.088 1.00 1.49 C ATOM 1038 CD2 PHE A 156 4.229 11.500 -5.949 1.00 1.09 C ATOM 1039 CE1 PHE A 156 4.495 12.153 -8.654 1.00 1.72 C ATOM 1040 CE2 PHE A 156 5.502 11.636 -6.515 1.00 1.31 C ATOM 1041 CZ PHE A 156 5.635 11.962 -7.868 1.00 1.53 C ATOM 0 H PHE A 156 -0.371 10.754 -5.136 1.00 0.66 H new ATOM 0 HA PHE A 156 1.116 9.963 -7.532 1.00 0.77 H new ATOM 0 HB2 PHE A 156 1.031 12.284 -6.535 1.00 0.84 H new ATOM 0 HB3 PHE A 156 1.749 11.681 -5.055 1.00 0.84 H new ATOM 0 HD1 PHE A 156 2.344 12.171 -8.697 1.00 1.49 H new ATOM 0 HD2 PHE A 156 4.127 11.244 -4.905 1.00 1.09 H new ATOM 0 HE1 PHE A 156 4.597 12.403 -9.700 1.00 1.72 H new ATOM 0 HE2 PHE A 156 6.382 11.489 -5.906 1.00 1.31 H new ATOM 0 HZ PHE A 156 6.617 12.066 -8.305 1.00 1.53 H new ATOM 1051 N MET A 157 2.105 8.763 -4.640 1.00 0.61 N ATOM 1052 CA MET A 157 3.036 7.738 -4.062 1.00 0.69 C ATOM 1053 C MET A 157 2.948 6.410 -4.831 1.00 0.83 C ATOM 1054 O MET A 157 3.906 5.664 -4.904 1.00 1.17 O ATOM 1055 CB MET A 157 2.572 7.550 -2.618 1.00 0.84 C ATOM 1056 CG MET A 157 3.387 8.448 -1.699 1.00 0.92 C ATOM 1057 SD MET A 157 5.117 7.936 -1.756 1.00 1.56 S ATOM 1058 CE MET A 157 5.739 9.425 -2.556 1.00 0.90 C ATOM 0 H MET A 157 1.454 9.180 -3.975 1.00 0.61 H new ATOM 0 HA MET A 157 4.075 8.060 -4.125 1.00 0.69 H new ATOM 0 HB2 MET A 157 1.512 7.790 -2.532 1.00 0.84 H new ATOM 0 HB3 MET A 157 2.688 6.508 -2.321 1.00 0.84 H new ATOM 0 HG2 MET A 157 3.292 9.489 -2.009 1.00 0.92 H new ATOM 0 HG3 MET A 157 3.009 8.384 -0.679 1.00 0.92 H new ATOM 0 HE1 MET A 157 6.721 9.225 -2.985 1.00 0.90 H new ATOM 0 HE2 MET A 157 5.052 9.727 -3.347 1.00 0.90 H new ATOM 0 HE3 MET A 157 5.821 10.226 -1.821 1.00 0.90 H new ATOM 1068 N LYS A 158 1.805 6.114 -5.402 1.00 0.86 N ATOM 1069 CA LYS A 158 1.640 4.839 -6.169 1.00 1.07 C ATOM 1070 C LYS A 158 2.596 4.788 -7.378 1.00 1.36 C ATOM 1071 O LYS A 158 3.004 3.722 -7.801 1.00 1.73 O ATOM 1072 CB LYS A 158 0.171 4.857 -6.619 1.00 1.28 C ATOM 1073 CG LYS A 158 -0.039 3.929 -7.822 1.00 1.66 C ATOM 1074 CD LYS A 158 -0.067 4.755 -9.114 1.00 2.24 C ATOM 1075 CE LYS A 158 -1.317 5.643 -9.136 1.00 2.85 C ATOM 1076 NZ LYS A 158 -0.813 7.033 -9.344 1.00 3.52 N1+ ATOM 0 H LYS A 158 0.974 6.705 -5.369 1.00 0.86 H new ATOM 0 HA LYS A 158 1.879 3.960 -5.571 1.00 1.07 H new ATOM 0 HB2 LYS A 158 -0.471 4.544 -5.795 1.00 1.28 H new ATOM 0 HB3 LYS A 158 -0.121 5.874 -6.882 1.00 1.28 H new ATOM 0 HG2 LYS A 158 0.762 3.191 -7.868 1.00 1.66 H new ATOM 0 HG3 LYS A 158 -0.973 3.379 -7.710 1.00 1.66 H new ATOM 0 HD2 LYS A 158 0.829 5.371 -9.182 1.00 2.24 H new ATOM 0 HD3 LYS A 158 -0.065 4.093 -9.980 1.00 2.24 H new ATOM 0 HE2 LYS A 158 -1.995 5.347 -9.937 1.00 2.85 H new ATOM 0 HE3 LYS A 158 -1.873 5.562 -8.202 1.00 2.85 H new ATOM 0 HZ1 LYS A 158 -1.610 7.661 -9.572 1.00 3.52 H new ATOM 0 HZ2 LYS A 158 -0.346 7.366 -8.477 1.00 3.52 H new ATOM 0 HZ3 LYS A 158 -0.131 7.041 -10.129 1.00 3.52 H new ATOM 1090 N GLY A 159 2.952 5.921 -7.940 1.00 1.73 N ATOM 1091 CA GLY A 159 3.873 5.918 -9.121 1.00 2.35 C ATOM 1092 C GLY A 159 5.196 6.612 -8.776 1.00 2.13 C ATOM 1093 O GLY A 159 5.710 7.394 -9.555 1.00 2.59 O ATOM 0 H GLY A 159 2.645 6.844 -7.632 1.00 1.73 H new ATOM 0 HA2 GLY A 159 4.066 4.892 -9.436 1.00 2.35 H new ATOM 0 HA3 GLY A 159 3.398 6.426 -9.961 1.00 2.35 H new ATOM 1097 N VAL A 160 5.759 6.328 -7.626 1.00 1.87 N ATOM 1098 CA VAL A 160 7.057 6.971 -7.243 1.00 1.87 C ATOM 1099 C VAL A 160 7.678 6.260 -6.027 1.00 2.39 C ATOM 1100 O VAL A 160 6.981 5.707 -5.196 1.00 3.11 O ATOM 1101 CB VAL A 160 6.696 8.427 -6.912 1.00 1.68 C ATOM 1102 CG1 VAL A 160 5.967 8.493 -5.569 1.00 1.89 C ATOM 1103 CG2 VAL A 160 7.972 9.270 -6.837 1.00 1.76 C ATOM 0 H VAL A 160 5.377 5.680 -6.937 1.00 1.87 H new ATOM 0 HA VAL A 160 7.799 6.911 -8.040 1.00 1.87 H new ATOM 0 HB VAL A 160 6.045 8.817 -7.695 1.00 1.68 H new ATOM 0 HG11 VAL A 160 5.715 9.529 -5.342 1.00 1.89 H new ATOM 0 HG12 VAL A 160 5.054 7.900 -5.621 1.00 1.89 H new ATOM 0 HG13 VAL A 160 6.612 8.097 -4.785 1.00 1.89 H new ATOM 0 HG21 VAL A 160 7.713 10.302 -6.602 1.00 1.76 H new ATOM 0 HG22 VAL A 160 8.625 8.874 -6.059 1.00 1.76 H new ATOM 0 HG23 VAL A 160 8.488 9.235 -7.796 1.00 1.76 H new ATOM 1113 N GLU A 161 8.984 6.274 -5.926 1.00 2.52 N ATOM 1114 CA GLU A 161 9.667 5.605 -4.773 1.00 3.28 C ATOM 1115 C GLU A 161 10.809 6.486 -4.248 1.00 3.90 C ATOM 1116 O GLU A 161 11.672 6.839 -5.037 1.00 4.34 O ATOM 1117 CB GLU A 161 10.221 4.296 -5.348 1.00 3.49 C ATOM 1118 CG GLU A 161 9.367 3.117 -4.871 1.00 4.11 C ATOM 1119 CD GLU A 161 9.716 1.869 -5.684 1.00 4.29 C ATOM 1120 OE1 GLU A 161 10.640 1.172 -5.297 1.00 4.60 O ATOM 1121 OE2 GLU A 161 9.050 1.626 -6.677 1.00 4.56 O ATOM 1122 OXT GLU A 161 10.797 6.799 -3.069 1.00 4.37 O ATOM 0 H GLU A 161 9.610 6.722 -6.595 1.00 2.52 H new ATOM 0 HA GLU A 161 8.990 5.431 -3.936 1.00 3.28 H new ATOM 0 HB2 GLU A 161 10.223 4.339 -6.437 1.00 3.49 H new ATOM 0 HB3 GLU A 161 11.255 4.159 -5.033 1.00 3.49 H new ATOM 0 HG2 GLU A 161 9.542 2.934 -3.811 1.00 4.11 H new ATOM 0 HG3 GLU A 161 8.309 3.352 -4.983 1.00 4.11 H new TER 1129 GLU A 161 HETATM 1130 CA CA A 1 2.822 24.878 0.831 1.00 0.75 CA HETATM 1131 CA CA A 2 -4.418 19.055 -6.944 1.00 0.00 CA HETATM 1132 C1 STL A 162 12.697 11.809 -2.035 1.00 20.00 C HETATM 1133 C2 STL A 162 13.304 10.665 -2.587 1.00 20.00 C HETATM 1134 C3 STL A 162 12.811 10.110 -3.775 1.00 20.00 C HETATM 1135 C4 STL A 162 11.706 10.698 -4.420 1.00 20.00 C HETATM 1136 C5 STL A 162 11.087 11.832 -3.875 1.00 20.00 C HETATM 1137 C6 STL A 162 11.585 12.395 -2.688 1.00 20.00 C HETATM 1138 C7 STL A 162 9.969 12.413 -4.454 1.00 20.00 C HETATM 1139 C8 STL A 162 8.847 12.878 -3.750 1.00 20.00 C HETATM 1140 C9 STL A 162 7.700 13.472 -4.262 1.00 20.00 C HETATM 1141 C10 STL A 162 7.670 14.166 -5.496 1.00 20.00 C HETATM 1142 C11 STL A 162 6.468 14.775 -5.930 1.00 20.00 C HETATM 1143 C12 STL A 162 5.326 14.663 -5.105 1.00 20.00 C HETATM 1144 C13 STL A 162 5.346 13.968 -3.876 1.00 20.00 C HETATM 1145 C14 STL A 162 6.542 13.367 -3.453 1.00 20.00 C HETATM 1146 O1 STL A 162 4.169 15.237 -5.507 1.00 20.00 O HETATM 1147 O2 STL A 162 13.392 9.006 -4.311 1.00 20.00 O HETATM 1148 O3 STL A 162 13.170 12.347 -0.888 1.00 20.00 O HETATM 0 HO3 STL A 162 12.635 13.133 -0.650 1.00 20.00 H new HETATM 0 HO2 STL A 162 12.701 8.346 -4.529 1.00 20.00 H new HETATM 0 HO1 STL A 162 3.473 15.074 -4.837 1.00 20.00 H new HETATM 0 H8 STL A 162 8.880 12.758 -2.667 1.00 20.00 H new HETATM 0 H7 STL A 162 9.961 12.517 -5.539 1.00 20.00 H new HETATM 0 H6 STL A 162 11.115 13.284 -2.269 1.00 20.00 H new HETATM 0 H4 STL A 162 11.330 10.269 -5.349 1.00 20.00 H new HETATM 0 H2 STL A 162 14.160 10.210 -2.089 1.00 20.00 H new HETATM 0 H14 STL A 162 6.579 12.823 -2.509 1.00 20.00 H new HETATM 0 H13 STL A 162 4.446 13.899 -3.265 1.00 20.00 H new HETATM 0 H11 STL A 162 6.424 15.316 -6.875 1.00 20.00 H new HETATM 0 H10 STL A 162 8.569 14.231 -6.109 1.00 20.00 H new