USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 580 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 98 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 150 TYR OH : rot -7:sc= -0.119 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 103 MET CE :methyl 152:sc= -0.384 (180deg=-1.55!) USER MOD Single : A 106 LYS NZ :NH3+ -167:sc= -0.205 (180deg=-0.592) USER MOD Single : A 107 ASN : amide:sc= -0.135 K(o=-0.13,f=-0.93) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 MET CE :methyl -119:sc= -2.73 (180deg=-8.12!) USER MOD Single : A 122 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 124 THR OG1 : rot 30:sc= -6.24! USER MOD Single : A 127 THR OG1 : rot -18:sc= 0.35 USER MOD Single : A 129 THR OG1 : rot 180:sc= 0 USER MOD Single : A 137 MET CE :methyl -147:sc= -0.774 (180deg=-2.36!) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 143 ASN : amide:sc= -1.99 X(o=-2,f=-2.2!) USER MOD Single : A 144 ASN : amide:sc= -0.269 K(o=-0.27,f=-2.2!) USER MOD Single : A 157 MET CE :methyl 159:sc= -1.64 (180deg=-2.17!) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 71 N SER A 93 3.106 15.461 -1.065 1.00 0.00 N ATOM 72 CA SER A 93 3.374 14.032 -1.182 1.00 0.00 C ATOM 73 C SER A 93 2.519 13.234 -0.203 1.00 0.00 C ATOM 74 O SER A 93 1.925 12.220 -0.566 1.00 0.00 O ATOM 75 CB SER A 93 4.856 13.748 -0.932 1.00 0.00 C ATOM 76 OG SER A 93 5.089 12.360 -0.768 1.00 0.00 O ATOM 0 HA SER A 93 3.117 13.722 -2.195 1.00 0.00 H new ATOM 0 HB2 SER A 93 5.447 14.123 -1.767 1.00 0.00 H new ATOM 0 HB3 SER A 93 5.187 14.283 -0.042 1.00 0.00 H new ATOM 0 HG SER A 93 6.044 12.205 -0.611 1.00 0.00 H new ATOM 82 N GLU A 94 2.463 13.699 1.041 1.00 0.00 N ATOM 83 CA GLU A 94 1.682 13.029 2.075 1.00 0.00 C ATOM 84 C GLU A 94 0.213 12.934 1.673 1.00 0.00 C ATOM 85 O GLU A 94 -0.480 11.983 2.036 1.00 0.00 O ATOM 86 CB GLU A 94 1.816 13.773 3.406 1.00 0.00 C ATOM 87 CG GLU A 94 2.346 12.906 4.536 1.00 0.00 C ATOM 88 CD GLU A 94 2.026 13.473 5.905 1.00 0.00 C ATOM 89 OE1 GLU A 94 0.834 13.724 6.181 1.00 0.00 O ATOM 90 OE2 GLU A 94 2.969 13.668 6.702 1.00 0.00 O ATOM 0 H GLU A 94 2.949 14.538 1.358 1.00 0.00 H new ATOM 0 HA GLU A 94 2.071 12.018 2.193 1.00 0.00 H new ATOM 0 HB2 GLU A 94 2.481 14.626 3.271 1.00 0.00 H new ATOM 0 HB3 GLU A 94 0.842 14.171 3.690 1.00 0.00 H new ATOM 0 HG2 GLU A 94 1.920 11.906 4.452 1.00 0.00 H new ATOM 0 HG3 GLU A 94 3.426 12.802 4.433 1.00 0.00 H new ATOM 97 N GLU A 95 -0.256 13.926 0.923 1.00 0.00 N ATOM 98 CA GLU A 95 -1.643 13.955 0.473 1.00 0.00 C ATOM 99 C GLU A 95 -1.964 12.735 -0.384 1.00 0.00 C ATOM 100 O GLU A 95 -3.095 12.250 -0.393 1.00 0.00 O ATOM 101 CB GLU A 95 -1.917 15.234 -0.320 1.00 0.00 C ATOM 102 CG GLU A 95 -0.958 15.448 -1.480 1.00 0.00 C ATOM 103 CD GLU A 95 -1.300 16.677 -2.299 1.00 0.00 C ATOM 104 OE1 GLU A 95 -0.881 17.787 -1.909 1.00 0.00 O ATOM 105 OE2 GLU A 95 -1.987 16.529 -3.332 1.00 0.00 O ATOM 0 H GLU A 95 0.304 14.720 0.614 1.00 0.00 H new ATOM 0 HA GLU A 95 -2.284 13.936 1.354 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -2.937 15.202 -0.704 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -1.856 16.089 0.353 1.00 0.00 H new ATOM 0 HG2 GLU A 95 0.057 15.543 -1.095 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -0.973 14.570 -2.126 1.00 0.00 H new ATOM 112 N GLU A 96 -0.961 12.243 -1.104 1.00 0.00 N ATOM 113 CA GLU A 96 -1.137 11.080 -1.966 1.00 0.00 C ATOM 114 C GLU A 96 -1.593 9.868 -1.158 1.00 0.00 C ATOM 115 O GLU A 96 -2.625 9.267 -1.453 1.00 0.00 O ATOM 116 CB GLU A 96 0.167 10.760 -2.698 1.00 0.00 C ATOM 117 CG GLU A 96 0.753 11.949 -3.442 1.00 0.00 C ATOM 118 CD GLU A 96 1.507 11.541 -4.692 1.00 0.00 C ATOM 119 OE1 GLU A 96 0.954 10.752 -5.488 1.00 0.00 O ATOM 120 OE2 GLU A 96 2.650 12.010 -4.877 1.00 0.00 O ATOM 0 H GLU A 96 -0.018 12.632 -1.108 1.00 0.00 H new ATOM 0 HA GLU A 96 -1.908 11.315 -2.700 1.00 0.00 H new ATOM 0 HB2 GLU A 96 0.899 10.396 -1.977 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -0.012 9.951 -3.406 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -0.050 12.634 -3.714 1.00 0.00 H new ATOM 0 HG3 GLU A 96 1.425 12.493 -2.778 1.00 0.00 H new ATOM 127 N LEU A 97 -0.816 9.516 -0.139 1.00 0.00 N ATOM 128 CA LEU A 97 -1.143 8.376 0.710 1.00 0.00 C ATOM 129 C LEU A 97 -2.465 8.599 1.436 1.00 0.00 C ATOM 130 O LEU A 97 -3.233 7.662 1.650 1.00 0.00 O ATOM 131 CB LEU A 97 -0.024 8.134 1.724 1.00 0.00 C ATOM 132 CG LEU A 97 1.190 7.380 1.176 1.00 0.00 C ATOM 133 CD1 LEU A 97 2.483 8.023 1.658 1.00 0.00 C ATOM 134 CD2 LEU A 97 1.134 5.911 1.580 1.00 0.00 C ATOM 0 H LEU A 97 0.043 10.002 0.119 1.00 0.00 H new ATOM 0 HA LEU A 97 -1.244 7.497 0.074 1.00 0.00 H new ATOM 0 HB2 LEU A 97 0.309 9.097 2.112 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -0.431 7.574 2.566 1.00 0.00 H new ATOM 0 HG LEU A 97 1.167 7.436 0.088 1.00 0.00 H new ATOM 0 HD11 LEU A 97 3.334 7.473 1.258 1.00 0.00 H new ATOM 0 HD12 LEU A 97 2.525 9.057 1.315 1.00 0.00 H new ATOM 0 HD13 LEU A 97 2.516 8.001 2.747 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.005 5.391 1.182 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.130 5.833 2.667 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.227 5.458 1.180 1.00 0.00 H new ATOM 146 N SER A 98 -2.726 9.848 1.812 1.00 0.00 N ATOM 147 CA SER A 98 -3.959 10.196 2.513 1.00 0.00 C ATOM 148 C SER A 98 -5.179 9.652 1.776 1.00 0.00 C ATOM 149 O SER A 98 -6.138 9.193 2.396 1.00 0.00 O ATOM 150 CB SER A 98 -4.074 11.715 2.662 1.00 0.00 C ATOM 151 OG SER A 98 -4.897 12.059 3.763 1.00 0.00 O ATOM 0 H SER A 98 -2.101 10.636 1.643 1.00 0.00 H new ATOM 0 HA SER A 98 -3.924 9.741 3.503 1.00 0.00 H new ATOM 0 HB2 SER A 98 -3.082 12.146 2.797 1.00 0.00 H new ATOM 0 HB3 SER A 98 -4.486 12.143 1.748 1.00 0.00 H new ATOM 0 HG SER A 98 -4.953 13.035 3.837 1.00 0.00 H new ATOM 157 N ASP A 99 -5.133 9.705 0.449 1.00 0.00 N ATOM 158 CA ASP A 99 -6.232 9.215 -0.374 1.00 0.00 C ATOM 159 C ASP A 99 -6.114 7.711 -0.601 1.00 0.00 C ATOM 160 O ASP A 99 -7.118 7.017 -0.761 1.00 0.00 O ATOM 161 CB ASP A 99 -6.254 9.945 -1.719 1.00 0.00 C ATOM 162 CG ASP A 99 -7.547 9.719 -2.478 1.00 0.00 C ATOM 163 OD1 ASP A 99 -8.558 10.368 -2.135 1.00 0.00 O ATOM 164 OD2 ASP A 99 -7.550 8.893 -3.414 1.00 0.00 O ATOM 0 H ASP A 99 -4.346 10.082 -0.079 1.00 0.00 H new ATOM 0 HA ASP A 99 -7.165 9.412 0.155 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -6.116 11.013 -1.552 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -5.415 9.606 -2.327 1.00 0.00 H new ATOM 169 N LEU A 100 -4.881 7.213 -0.613 1.00 0.00 N ATOM 170 CA LEU A 100 -4.633 5.791 -0.821 1.00 0.00 C ATOM 171 C LEU A 100 -5.157 4.967 0.352 1.00 0.00 C ATOM 172 O LEU A 100 -5.752 3.907 0.160 1.00 0.00 O ATOM 173 CB LEU A 100 -3.135 5.532 -1.010 1.00 0.00 C ATOM 174 CG LEU A 100 -2.562 5.968 -2.360 1.00 0.00 C ATOM 175 CD1 LEU A 100 -1.089 5.600 -2.458 1.00 0.00 C ATOM 176 CD2 LEU A 100 -3.348 5.338 -3.500 1.00 0.00 C ATOM 0 H LEU A 100 -4.039 7.773 -0.481 1.00 0.00 H new ATOM 0 HA LEU A 100 -5.165 5.486 -1.723 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -2.591 6.048 -0.219 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -2.948 4.466 -0.882 1.00 0.00 H new ATOM 0 HG LEU A 100 -2.651 7.052 -2.439 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -0.698 5.918 -3.425 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -0.536 6.098 -1.662 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -0.976 4.520 -2.358 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -2.927 5.659 -4.453 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -3.291 4.252 -3.425 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -4.390 5.651 -3.440 1.00 0.00 H new ATOM 188 N PHE A 101 -4.929 5.458 1.567 1.00 0.00 N ATOM 189 CA PHE A 101 -5.376 4.763 2.770 1.00 0.00 C ATOM 190 C PHE A 101 -6.888 4.555 2.755 1.00 0.00 C ATOM 191 O PHE A 101 -7.373 3.442 2.957 1.00 0.00 O ATOM 192 CB PHE A 101 -4.973 5.549 4.020 1.00 0.00 C ATOM 193 CG PHE A 101 -4.859 4.700 5.255 1.00 0.00 C ATOM 194 CD1 PHE A 101 -4.053 3.572 5.265 1.00 0.00 C ATOM 195 CD2 PHE A 101 -5.556 5.031 6.405 1.00 0.00 C ATOM 196 CE1 PHE A 101 -3.945 2.791 6.401 1.00 0.00 C ATOM 197 CE2 PHE A 101 -5.452 4.254 7.543 1.00 0.00 C ATOM 198 CZ PHE A 101 -4.646 3.132 7.541 1.00 0.00 C ATOM 0 H PHE A 101 -4.438 6.334 1.744 1.00 0.00 H new ATOM 0 HA PHE A 101 -4.894 3.786 2.790 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -4.017 6.040 3.838 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -5.707 6.335 4.197 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -3.503 3.300 4.376 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -6.188 5.907 6.413 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -3.313 1.915 6.397 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -6.000 4.524 8.433 1.00 0.00 H new ATOM 0 HZ PHE A 101 -4.564 2.523 8.429 1.00 0.00 H new ATOM 208 N ARG A 102 -7.626 5.634 2.517 1.00 0.00 N ATOM 209 CA ARG A 102 -9.083 5.573 2.479 1.00 0.00 C ATOM 210 C ARG A 102 -9.569 4.583 1.424 1.00 0.00 C ATOM 211 O ARG A 102 -10.663 4.030 1.537 1.00 0.00 O ATOM 212 CB ARG A 102 -9.663 6.961 2.197 1.00 0.00 C ATOM 213 CG ARG A 102 -10.012 7.742 3.453 1.00 0.00 C ATOM 214 CD ARG A 102 -10.735 9.038 3.122 1.00 0.00 C ATOM 215 NE ARG A 102 -11.865 9.279 4.017 1.00 0.00 N ATOM 216 CZ ARG A 102 -12.511 10.440 4.099 1.00 0.00 C ATOM 217 NH1 ARG A 102 -12.142 11.468 3.345 1.00 0.00 N ATOM 218 NH2 ARG A 102 -13.528 10.573 4.939 1.00 0.00 N ATOM 0 H ARG A 102 -7.239 6.562 2.347 1.00 0.00 H new ATOM 0 HA ARG A 102 -9.429 5.229 3.454 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -8.944 7.534 1.611 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -10.559 6.854 1.585 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -10.639 7.130 4.101 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -9.101 7.964 4.009 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -10.035 9.871 3.189 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -11.090 9.002 2.092 1.00 0.00 H new ATOM 0 HE ARG A 102 -12.177 8.513 4.614 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -11.359 11.371 2.698 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -12.641 12.355 3.412 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -13.815 9.786 5.521 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -14.024 11.462 5.003 1.00 0.00 H new ATOM 232 N MET A 103 -8.754 4.366 0.396 1.00 0.00 N ATOM 233 CA MET A 103 -9.111 3.446 -0.679 1.00 0.00 C ATOM 234 C MET A 103 -8.580 2.042 -0.404 1.00 0.00 C ATOM 235 O MET A 103 -9.184 1.051 -0.813 1.00 0.00 O ATOM 236 CB MET A 103 -8.565 3.956 -2.014 1.00 0.00 C ATOM 237 CG MET A 103 -9.229 3.322 -3.225 1.00 0.00 C ATOM 238 SD MET A 103 -8.176 3.349 -4.688 1.00 0.00 S ATOM 239 CE MET A 103 -6.769 2.403 -4.110 1.00 0.00 C ATOM 0 H MET A 103 -7.844 4.813 0.285 1.00 0.00 H new ATOM 0 HA MET A 103 -10.199 3.396 -0.730 1.00 0.00 H new ATOM 0 HB2 MET A 103 -8.697 5.037 -2.062 1.00 0.00 H new ATOM 0 HB3 MET A 103 -7.493 3.764 -2.056 1.00 0.00 H new ATOM 0 HG2 MET A 103 -9.493 2.291 -2.991 1.00 0.00 H new ATOM 0 HG3 MET A 103 -10.159 3.848 -3.442 1.00 0.00 H new ATOM 0 HE1 MET A 103 -6.289 1.911 -4.956 1.00 0.00 H new ATOM 0 HE2 MET A 103 -6.056 3.070 -3.626 1.00 0.00 H new ATOM 0 HE3 MET A 103 -7.105 1.651 -3.396 1.00 0.00 H new ATOM 249 N PHE A 104 -7.447 1.964 0.285 1.00 0.00 N ATOM 250 CA PHE A 104 -6.837 0.678 0.605 1.00 0.00 C ATOM 251 C PHE A 104 -7.533 0.019 1.792 1.00 0.00 C ATOM 252 O PHE A 104 -7.739 -1.194 1.807 1.00 0.00 O ATOM 253 CB PHE A 104 -5.347 0.857 0.906 1.00 0.00 C ATOM 254 CG PHE A 104 -4.473 -0.163 0.233 1.00 0.00 C ATOM 255 CD1 PHE A 104 -4.487 -1.485 0.646 1.00 0.00 C ATOM 256 CD2 PHE A 104 -3.639 0.201 -0.812 1.00 0.00 C ATOM 257 CE1 PHE A 104 -3.684 -2.426 0.030 1.00 0.00 C ATOM 258 CE2 PHE A 104 -2.834 -0.736 -1.432 1.00 0.00 C ATOM 259 CZ PHE A 104 -2.857 -2.051 -1.011 1.00 0.00 C ATOM 0 H PHE A 104 -6.933 2.774 0.632 1.00 0.00 H new ATOM 0 HA PHE A 104 -6.951 0.028 -0.262 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -5.038 1.854 0.591 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -5.193 0.802 1.984 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -5.133 -1.784 1.459 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -3.618 1.228 -1.146 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -3.703 -3.453 0.362 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -2.188 -0.440 -2.245 1.00 0.00 H new ATOM 0 HZ PHE A 104 -2.230 -2.785 -1.495 1.00 0.00 H new ATOM 269 N ASP A 105 -7.892 0.824 2.787 1.00 0.00 N ATOM 270 CA ASP A 105 -8.563 0.312 3.976 1.00 0.00 C ATOM 271 C ASP A 105 -9.893 -0.342 3.615 1.00 0.00 C ATOM 272 O ASP A 105 -10.027 -1.565 3.669 1.00 0.00 O ATOM 273 CB ASP A 105 -8.788 1.439 4.987 1.00 0.00 C ATOM 274 CG ASP A 105 -8.506 1.003 6.412 1.00 0.00 C ATOM 275 OD1 ASP A 105 -8.426 -0.220 6.655 1.00 0.00 O ATOM 276 OD2 ASP A 105 -8.365 1.885 7.286 1.00 0.00 O ATOM 0 H ASP A 105 -7.730 1.831 2.794 1.00 0.00 H new ATOM 0 HA ASP A 105 -7.921 -0.445 4.426 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -8.146 2.283 4.735 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -9.818 1.788 4.914 1.00 0.00 H new ATOM 281 N LYS A 106 -10.875 0.479 3.248 1.00 0.00 N ATOM 282 CA LYS A 106 -12.199 -0.022 2.879 1.00 0.00 C ATOM 283 C LYS A 106 -12.893 -0.697 4.061 1.00 0.00 C ATOM 284 O LYS A 106 -13.926 -1.346 3.895 1.00 0.00 O ATOM 285 CB LYS A 106 -12.082 -1.011 1.721 1.00 0.00 C ATOM 286 CG LYS A 106 -12.249 -0.372 0.352 1.00 0.00 C ATOM 287 CD LYS A 106 -11.267 -0.948 -0.656 1.00 0.00 C ATOM 288 CE LYS A 106 -11.870 -2.119 -1.415 1.00 0.00 C ATOM 289 NZ LYS A 106 -12.566 -3.072 -0.507 1.00 0.00 N ATOM 0 H LYS A 106 -10.780 1.493 3.198 1.00 0.00 H new ATOM 0 HA LYS A 106 -12.802 0.833 2.573 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -11.108 -1.498 1.768 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -12.835 -1.790 1.843 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -13.268 -0.528 -0.002 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -12.101 0.705 0.432 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -10.969 -0.171 -1.360 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -10.364 -1.274 -0.140 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -12.575 -1.745 -2.158 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -11.083 -2.644 -1.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -12.769 -3.954 -1.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -11.958 -3.279 0.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -13.458 -2.650 -0.178 1.00 0.00 H new ATOM 303 N ASN A 107 -12.321 -0.546 5.249 1.00 0.00 N ATOM 304 CA ASN A 107 -12.884 -1.146 6.452 1.00 0.00 C ATOM 305 C ASN A 107 -13.447 -0.081 7.390 1.00 0.00 C ATOM 306 O ASN A 107 -14.292 -0.372 8.237 1.00 0.00 O ATOM 307 CB ASN A 107 -11.816 -1.966 7.178 1.00 0.00 C ATOM 308 CG ASN A 107 -12.367 -3.257 7.752 1.00 0.00 C ATOM 309 OD1 ASN A 107 -13.217 -3.907 7.144 1.00 0.00 O ATOM 310 ND2 ASN A 107 -11.883 -3.635 8.929 1.00 0.00 N ATOM 0 H ASN A 107 -11.466 -0.012 5.405 1.00 0.00 H new ATOM 0 HA ASN A 107 -13.702 -1.801 6.151 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -11.006 -2.196 6.486 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -11.388 -1.368 7.982 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -12.215 -4.495 9.365 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -11.179 -3.065 9.398 1.00 0.00 H new ATOM 317 N ALA A 108 -12.973 1.153 7.239 1.00 0.00 N ATOM 318 CA ALA A 108 -13.429 2.257 8.077 1.00 0.00 C ATOM 319 C ALA A 108 -12.961 2.077 9.516 1.00 0.00 C ATOM 320 O ALA A 108 -13.699 2.358 10.461 1.00 0.00 O ATOM 321 CB ALA A 108 -14.946 2.378 8.021 1.00 0.00 C ATOM 0 H ALA A 108 -12.273 1.413 6.544 1.00 0.00 H new ATOM 0 HA ALA A 108 -12.993 3.178 7.691 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -15.268 3.206 8.652 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -15.259 2.562 6.993 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -15.398 1.453 8.378 1.00 0.00 H new ATOM 327 N ASP A 109 -11.728 1.605 9.675 1.00 0.00 N ATOM 328 CA ASP A 109 -11.157 1.385 10.999 1.00 0.00 C ATOM 329 C ASP A 109 -9.950 2.290 11.224 1.00 0.00 C ATOM 330 O ASP A 109 -9.826 2.927 12.270 1.00 0.00 O ATOM 331 CB ASP A 109 -10.749 -0.080 11.164 1.00 0.00 C ATOM 332 CG ASP A 109 -9.752 -0.524 10.111 1.00 0.00 C ATOM 333 OD1 ASP A 109 -9.728 0.085 9.022 1.00 0.00 O ATOM 334 OD2 ASP A 109 -8.995 -1.482 10.377 1.00 0.00 O ATOM 0 H ASP A 109 -11.105 1.368 8.903 1.00 0.00 H new ATOM 0 HA ASP A 109 -11.916 1.628 11.742 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -10.317 -0.225 12.154 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -11.637 -0.710 11.109 1.00 0.00 H new ATOM 339 N GLY A 110 -9.064 2.345 10.234 1.00 0.00 N ATOM 340 CA GLY A 110 -7.881 3.179 10.343 1.00 0.00 C ATOM 341 C GLY A 110 -6.587 2.389 10.267 1.00 0.00 C ATOM 342 O GLY A 110 -5.504 2.952 10.423 1.00 0.00 O ATOM 0 H GLY A 110 -9.144 1.827 9.359 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -7.893 3.923 9.546 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -7.913 3.723 11.287 1.00 0.00 H new ATOM 346 N TYR A 111 -6.691 1.083 10.029 1.00 0.00 N ATOM 347 CA TYR A 111 -5.509 0.232 9.938 1.00 0.00 C ATOM 348 C TYR A 111 -5.692 -0.845 8.873 1.00 0.00 C ATOM 349 O TYR A 111 -6.813 -1.126 8.450 1.00 0.00 O ATOM 350 CB TYR A 111 -5.211 -0.422 11.291 1.00 0.00 C ATOM 351 CG TYR A 111 -5.582 0.435 12.482 1.00 0.00 C ATOM 352 CD1 TYR A 111 -4.903 1.618 12.749 1.00 0.00 C ATOM 353 CD2 TYR A 111 -6.610 0.061 13.338 1.00 0.00 C ATOM 354 CE1 TYR A 111 -5.240 2.403 13.835 1.00 0.00 C ATOM 355 CE2 TYR A 111 -6.952 0.842 14.426 1.00 0.00 C ATOM 356 CZ TYR A 111 -6.264 2.011 14.670 1.00 0.00 C ATOM 357 OH TYR A 111 -6.602 2.791 15.752 1.00 0.00 O ATOM 0 H TYR A 111 -7.576 0.594 9.897 1.00 0.00 H new ATOM 0 HA TYR A 111 -4.666 0.862 9.654 1.00 0.00 H new ATOM 0 HB2 TYR A 111 -5.751 -1.367 11.353 1.00 0.00 H new ATOM 0 HB3 TYR A 111 -4.148 -0.658 11.343 1.00 0.00 H new ATOM 0 HD1 TYR A 111 -4.100 1.928 12.098 1.00 0.00 H new ATOM 0 HD2 TYR A 111 -7.151 -0.855 13.150 1.00 0.00 H new ATOM 0 HE1 TYR A 111 -4.703 3.320 14.029 1.00 0.00 H new ATOM 0 HE2 TYR A 111 -7.754 0.538 15.082 1.00 0.00 H new ATOM 0 HH TYR A 111 -7.344 2.374 16.237 1.00 0.00 H new ATOM 367 N ILE A 112 -4.585 -1.450 8.443 1.00 0.00 N ATOM 368 CA ILE A 112 -4.640 -2.498 7.429 1.00 0.00 C ATOM 369 C ILE A 112 -4.154 -3.830 7.987 1.00 0.00 C ATOM 370 O ILE A 112 -3.162 -3.886 8.714 1.00 0.00 O ATOM 371 CB ILE A 112 -3.797 -2.135 6.192 1.00 0.00 C ATOM 372 CG1 ILE A 112 -4.129 -0.718 5.716 1.00 0.00 C ATOM 373 CG2 ILE A 112 -4.029 -3.146 5.079 1.00 0.00 C ATOM 374 CD1 ILE A 112 -3.455 -0.337 4.413 1.00 0.00 C ATOM 0 H ILE A 112 -3.647 -1.233 8.779 1.00 0.00 H new ATOM 0 HA ILE A 112 -5.684 -2.590 7.131 1.00 0.00 H new ATOM 0 HB ILE A 112 -2.743 -2.164 6.467 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -5.209 -0.629 5.595 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -3.835 -0.007 6.488 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -3.427 -2.877 4.211 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -3.743 -4.140 5.425 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -5.083 -3.147 4.803 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -3.738 0.680 4.141 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -2.373 -0.393 4.533 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -3.768 -1.024 3.627 1.00 0.00 H new ATOM 386 N ASP A 113 -4.858 -4.902 7.641 1.00 0.00 N ATOM 387 CA ASP A 113 -4.499 -6.237 8.104 1.00 0.00 C ATOM 388 C ASP A 113 -4.368 -7.200 6.929 1.00 0.00 C ATOM 389 O ASP A 113 -4.313 -6.779 5.773 1.00 0.00 O ATOM 390 CB ASP A 113 -5.546 -6.755 9.093 1.00 0.00 C ATOM 391 CG ASP A 113 -4.924 -7.512 10.250 1.00 0.00 C ATOM 392 OD1 ASP A 113 -4.698 -8.732 10.108 1.00 0.00 O ATOM 393 OD2 ASP A 113 -4.662 -6.885 11.297 1.00 0.00 O ATOM 0 H ASP A 113 -5.682 -4.872 7.040 1.00 0.00 H new ATOM 0 HA ASP A 113 -3.535 -6.175 8.609 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -6.123 -5.915 9.480 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -6.245 -7.407 8.569 1.00 0.00 H new ATOM 398 N LEU A 114 -4.317 -8.494 7.229 1.00 0.00 N ATOM 399 CA LEU A 114 -4.192 -9.514 6.195 1.00 0.00 C ATOM 400 C LEU A 114 -5.332 -9.408 5.184 1.00 0.00 C ATOM 401 O LEU A 114 -5.161 -9.722 4.006 1.00 0.00 O ATOM 402 CB LEU A 114 -4.177 -10.909 6.825 1.00 0.00 C ATOM 403 CG LEU A 114 -2.785 -11.525 6.995 1.00 0.00 C ATOM 404 CD1 LEU A 114 -2.345 -11.463 8.450 1.00 0.00 C ATOM 405 CD2 LEU A 114 -2.770 -12.962 6.493 1.00 0.00 C ATOM 0 H LEU A 114 -4.360 -8.861 8.180 1.00 0.00 H new ATOM 0 HA LEU A 114 -3.251 -9.351 5.670 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -4.656 -10.855 7.802 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -4.781 -11.576 6.210 1.00 0.00 H new ATOM 0 HG LEU A 114 -2.080 -10.946 6.399 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -1.354 -11.906 8.550 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -2.313 -10.424 8.776 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -3.053 -12.015 9.068 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -1.773 -13.382 6.622 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -3.489 -13.553 7.060 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -3.038 -12.981 5.437 1.00 0.00 H new ATOM 417 N GLU A 115 -6.493 -8.962 5.653 1.00 0.00 N ATOM 418 CA GLU A 115 -7.659 -8.813 4.789 1.00 0.00 C ATOM 419 C GLU A 115 -7.384 -7.804 3.679 1.00 0.00 C ATOM 420 O GLU A 115 -7.406 -8.147 2.496 1.00 0.00 O ATOM 421 CB GLU A 115 -8.876 -8.374 5.609 1.00 0.00 C ATOM 422 CG GLU A 115 -9.915 -9.472 5.731 1.00 0.00 C ATOM 423 OE1 GLU A 115 -10.221 -10.116 4.707 1.00 0.00 O ATOM 424 OE2 GLU A 115 -10.422 -9.687 6.852 1.00 0.00 O ATOM 0 H GLU A 115 -6.652 -8.698 6.625 1.00 0.00 H new ATOM 0 HA GLU A 115 -7.870 -9.780 4.332 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -8.551 -8.073 6.605 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -9.329 -7.499 5.143 1.00 0.00 H new ATOM 429 N GLU A 116 -7.125 -6.559 4.066 1.00 0.00 N ATOM 430 CA GLU A 116 -6.845 -5.503 3.101 1.00 0.00 C ATOM 431 C GLU A 116 -5.566 -5.803 2.326 1.00 0.00 C ATOM 432 O GLU A 116 -5.421 -5.404 1.170 1.00 0.00 O ATOM 433 CB GLU A 116 -6.723 -4.152 3.806 1.00 0.00 C ATOM 434 CG GLU A 116 -8.058 -3.466 4.045 1.00 0.00 C ATOM 435 CD GLU A 116 -8.499 -3.536 5.494 1.00 0.00 C ATOM 436 OE1 GLU A 116 -7.800 -2.963 6.356 1.00 0.00 O ATOM 437 OE2 GLU A 116 -9.544 -4.164 5.767 1.00 0.00 O ATOM 0 H GLU A 116 -7.103 -6.257 5.040 1.00 0.00 H new ATOM 0 HA GLU A 116 -7.676 -5.460 2.397 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -6.222 -4.295 4.763 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -6.089 -3.496 3.209 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -7.985 -2.422 3.741 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -8.818 -3.929 3.415 1.00 0.00 H new ATOM 444 N LEU A 117 -4.641 -6.512 2.968 1.00 0.00 N ATOM 445 CA LEU A 117 -3.374 -6.869 2.337 1.00 0.00 C ATOM 446 C LEU A 117 -3.613 -7.535 0.986 1.00 0.00 C ATOM 447 O LEU A 117 -2.811 -7.396 0.062 1.00 0.00 O ATOM 448 CB LEU A 117 -2.570 -7.797 3.250 1.00 0.00 C ATOM 449 CG LEU A 117 -1.124 -7.364 3.499 1.00 0.00 C ATOM 450 CD1 LEU A 117 -0.322 -7.422 2.209 1.00 0.00 C ATOM 451 CD2 LEU A 117 -1.081 -5.965 4.098 1.00 0.00 C ATOM 0 H LEU A 117 -4.745 -6.850 3.925 1.00 0.00 H new ATOM 0 HA LEU A 117 -2.803 -5.955 2.173 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -3.082 -7.871 4.210 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -2.564 -8.796 2.814 1.00 0.00 H new ATOM 0 HG LEU A 117 -0.674 -8.054 4.213 1.00 0.00 H new ATOM 0 HD11 LEU A 117 0.704 -7.111 2.404 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -0.325 -8.442 1.824 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -0.769 -6.755 1.472 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -0.045 -5.674 4.268 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -1.548 -5.260 3.410 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -1.620 -5.958 5.045 1.00 0.00 H new ATOM 463 N LYS A 118 -4.730 -8.247 0.875 1.00 0.00 N ATOM 464 CA LYS A 118 -5.084 -8.922 -0.367 1.00 0.00 C ATOM 465 C LYS A 118 -5.134 -7.918 -1.515 1.00 0.00 C ATOM 466 O LYS A 118 -4.779 -8.233 -2.650 1.00 0.00 O ATOM 467 CB LYS A 118 -6.436 -9.622 -0.219 1.00 0.00 C ATOM 468 CG LYS A 118 -6.701 -10.676 -1.282 1.00 0.00 C ATOM 469 CD LYS A 118 -7.321 -10.071 -2.532 1.00 0.00 C ATOM 470 CE LYS A 118 -8.633 -9.365 -2.224 1.00 0.00 C ATOM 471 NZ LYS A 118 -9.686 -9.689 -3.226 1.00 0.00 N ATOM 0 H LYS A 118 -5.405 -8.371 1.630 1.00 0.00 H new ATOM 0 HA LYS A 118 -4.324 -9.671 -0.589 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -6.487 -10.090 0.764 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -7.228 -8.874 -0.257 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -5.766 -11.172 -1.543 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -7.366 -11.440 -0.879 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -6.623 -9.363 -2.978 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -7.494 -10.856 -3.269 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -8.976 -9.654 -1.230 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -8.470 -8.287 -2.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -10.564 -9.189 -2.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -9.370 -9.391 -4.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -9.860 -10.714 -3.227 1.00 0.00 H new ATOM 485 N ILE A 119 -5.569 -6.702 -1.199 1.00 0.00 N ATOM 486 CA ILE A 119 -5.663 -5.634 -2.187 1.00 0.00 C ATOM 487 C ILE A 119 -4.328 -5.433 -2.903 1.00 0.00 C ATOM 488 O ILE A 119 -4.289 -5.008 -4.057 1.00 0.00 O ATOM 489 CB ILE A 119 -6.098 -4.307 -1.529 1.00 0.00 C ATOM 490 CG1 ILE A 119 -7.469 -4.470 -0.872 1.00 0.00 C ATOM 491 CG2 ILE A 119 -6.124 -3.177 -2.549 1.00 0.00 C ATOM 492 CD1 ILE A 119 -7.629 -3.668 0.401 1.00 0.00 C ATOM 0 H ILE A 119 -5.863 -6.431 -0.261 1.00 0.00 H new ATOM 0 HA ILE A 119 -6.417 -5.931 -2.916 1.00 0.00 H new ATOM 0 HB ILE A 119 -5.369 -4.049 -0.761 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -8.240 -4.169 -1.581 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -7.634 -5.524 -0.650 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -6.434 -2.253 -2.061 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -5.129 -3.047 -2.974 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -6.829 -3.421 -3.344 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -8.625 -3.832 0.812 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -6.880 -3.985 1.127 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -7.497 -2.608 0.182 1.00 0.00 H new ATOM 504 N MET A 120 -3.238 -5.747 -2.211 1.00 0.00 N ATOM 505 CA MET A 120 -1.905 -5.609 -2.783 1.00 0.00 C ATOM 506 C MET A 120 -1.688 -6.643 -3.882 1.00 0.00 C ATOM 507 O MET A 120 -1.003 -6.382 -4.871 1.00 0.00 O ATOM 508 CB MET A 120 -0.842 -5.770 -1.695 1.00 0.00 C ATOM 509 CG MET A 120 -1.102 -4.924 -0.459 1.00 0.00 C ATOM 510 SD MET A 120 0.050 -3.544 -0.302 1.00 0.00 S ATOM 511 CE MET A 120 -0.661 -2.665 1.087 1.00 0.00 C ATOM 0 H MET A 120 -3.252 -6.099 -1.254 1.00 0.00 H new ATOM 0 HA MET A 120 -1.817 -4.613 -3.217 1.00 0.00 H new ATOM 0 HB2 MET A 120 -0.790 -6.819 -1.403 1.00 0.00 H new ATOM 0 HB3 MET A 120 0.131 -5.505 -2.108 1.00 0.00 H new ATOM 0 HG2 MET A 120 -2.121 -4.539 -0.496 1.00 0.00 H new ATOM 0 HG3 MET A 120 -1.031 -5.553 0.428 1.00 0.00 H new ATOM 0 HE1 MET A 120 -0.947 -1.661 0.774 1.00 0.00 H new ATOM 0 HE2 MET A 120 -1.542 -3.199 1.443 1.00 0.00 H new ATOM 0 HE3 MET A 120 0.073 -2.599 1.890 1.00 0.00 H new ATOM 521 N LEU A 121 -2.280 -7.818 -3.698 1.00 0.00 N ATOM 522 CA LEU A 121 -2.160 -8.901 -4.668 1.00 0.00 C ATOM 523 C LEU A 121 -2.893 -8.559 -5.962 1.00 0.00 C ATOM 524 O LEU A 121 -2.496 -8.994 -7.043 1.00 0.00 O ATOM 525 CB LEU A 121 -2.717 -10.199 -4.079 1.00 0.00 C ATOM 526 CG LEU A 121 -1.801 -11.416 -4.207 1.00 0.00 C ATOM 527 CD1 LEU A 121 -1.447 -11.671 -5.665 1.00 0.00 C ATOM 528 CD2 LEU A 121 -0.542 -11.224 -3.374 1.00 0.00 C ATOM 0 H LEU A 121 -2.850 -8.045 -2.883 1.00 0.00 H new ATOM 0 HA LEU A 121 -1.103 -9.036 -4.898 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -2.934 -10.037 -3.023 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -3.665 -10.424 -4.568 1.00 0.00 H new ATOM 0 HG LEU A 121 -2.334 -12.289 -3.829 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -0.794 -12.541 -5.734 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -2.358 -11.855 -6.234 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -0.934 -10.800 -6.073 1.00 0.00 H new ATOM 0 HD21 LEU A 121 0.099 -12.100 -3.476 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -0.007 -10.340 -3.721 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -0.815 -11.095 -2.327 1.00 0.00 H new ATOM 540 N GLN A 122 -3.964 -7.776 -5.849 1.00 0.00 N ATOM 541 CA GLN A 122 -4.745 -7.378 -7.018 1.00 0.00 C ATOM 542 C GLN A 122 -3.838 -6.812 -8.106 1.00 0.00 C ATOM 543 O GLN A 122 -4.119 -6.943 -9.297 1.00 0.00 O ATOM 544 CB GLN A 122 -5.803 -6.343 -6.626 1.00 0.00 C ATOM 545 CG GLN A 122 -7.175 -6.945 -6.366 1.00 0.00 C ATOM 546 CD GLN A 122 -8.240 -6.392 -7.292 1.00 0.00 C ATOM 547 OE1 GLN A 122 -8.478 -6.928 -8.375 1.00 0.00 O ATOM 548 NE2 GLN A 122 -8.889 -5.313 -6.870 1.00 0.00 N ATOM 0 H GLN A 122 -4.310 -7.406 -4.964 1.00 0.00 H new ATOM 0 HA GLN A 122 -5.246 -8.263 -7.410 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -5.471 -5.817 -5.731 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -5.885 -5.601 -7.420 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -7.121 -8.027 -6.486 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -7.462 -6.752 -5.332 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -8.660 -4.901 -5.965 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -9.617 -4.896 -7.450 1.00 0.00 H new ATOM 557 N ALA A 123 -2.743 -6.190 -7.682 1.00 0.00 N ATOM 558 CA ALA A 123 -1.781 -5.609 -8.610 1.00 0.00 C ATOM 559 C ALA A 123 -1.008 -6.698 -9.345 1.00 0.00 C ATOM 560 O ALA A 123 -0.498 -6.481 -10.445 1.00 0.00 O ATOM 561 CB ALA A 123 -0.819 -4.699 -7.863 1.00 0.00 C ATOM 0 H ALA A 123 -2.500 -6.075 -6.698 1.00 0.00 H new ATOM 0 HA ALA A 123 -2.329 -5.022 -9.347 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -0.104 -4.270 -8.565 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -1.378 -3.898 -7.379 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -0.284 -5.276 -7.108 1.00 0.00 H new ATOM 567 N THR A 124 -0.917 -7.868 -8.722 1.00 0.00 N ATOM 568 CA THR A 124 -0.199 -8.995 -9.302 1.00 0.00 C ATOM 569 C THR A 124 -1.160 -9.997 -9.932 1.00 0.00 C ATOM 570 O THR A 124 -1.141 -10.215 -11.144 1.00 0.00 O ATOM 571 CB THR A 124 0.635 -9.686 -8.226 1.00 0.00 C ATOM 572 OG1 THR A 124 -0.014 -9.613 -6.968 1.00 0.00 O ATOM 573 CG2 THR A 124 2.015 -9.089 -8.063 1.00 0.00 C ATOM 0 H THR A 124 -1.334 -8.060 -7.811 1.00 0.00 H new ATOM 0 HA THR A 124 0.456 -8.613 -10.085 1.00 0.00 H new ATOM 0 HB THR A 124 0.740 -10.718 -8.560 1.00 0.00 H new ATOM 0 HG1 THR A 124 -0.985 -9.593 -7.101 1.00 0.00 H new ATOM 0 HG21 THR A 124 2.554 -9.627 -7.283 1.00 0.00 H new ATOM 0 HG22 THR A 124 2.560 -9.171 -9.003 1.00 0.00 H new ATOM 0 HG23 THR A 124 1.927 -8.039 -7.785 1.00 0.00 H new ATOM 581 N GLY A 125 -1.995 -10.608 -9.100 1.00 0.00 N ATOM 582 CA GLY A 125 -2.948 -11.586 -9.591 1.00 0.00 C ATOM 583 C GLY A 125 -2.282 -12.890 -9.987 1.00 0.00 C ATOM 584 O GLY A 125 -2.620 -13.482 -11.012 1.00 0.00 O ATOM 0 H GLY A 125 -2.029 -10.444 -8.094 1.00 0.00 H new ATOM 0 HA2 GLY A 125 -3.694 -11.781 -8.821 1.00 0.00 H new ATOM 0 HA3 GLY A 125 -3.477 -11.175 -10.451 1.00 0.00 H new ATOM 588 N GLU A 126 -1.329 -13.335 -9.173 1.00 0.00 N ATOM 589 CA GLU A 126 -0.608 -14.575 -9.443 1.00 0.00 C ATOM 590 C GLU A 126 -0.828 -15.590 -8.323 1.00 0.00 C ATOM 591 O GLU A 126 -1.747 -15.448 -7.516 1.00 0.00 O ATOM 592 CB GLU A 126 0.887 -14.290 -9.610 1.00 0.00 C ATOM 593 CG GLU A 126 1.507 -14.976 -10.816 1.00 0.00 C ATOM 594 CD GLU A 126 3.012 -14.810 -10.871 1.00 0.00 C ATOM 595 OE1 GLU A 126 3.483 -13.653 -10.854 1.00 0.00 O ATOM 596 OE2 GLU A 126 3.721 -15.837 -10.931 1.00 0.00 O ATOM 0 H GLU A 126 -1.038 -12.855 -8.321 1.00 0.00 H new ATOM 0 HA GLU A 126 -0.995 -15.000 -10.369 1.00 0.00 H new ATOM 0 HB2 GLU A 126 1.035 -13.214 -9.699 1.00 0.00 H new ATOM 0 HB3 GLU A 126 1.412 -14.611 -8.710 1.00 0.00 H new ATOM 0 HG2 GLU A 126 1.263 -16.038 -10.790 1.00 0.00 H new ATOM 0 HG3 GLU A 126 1.067 -14.570 -11.727 1.00 0.00 H new ATOM 603 N THR A 127 0.018 -16.615 -8.281 1.00 0.00 N ATOM 604 CA THR A 127 -0.086 -17.654 -7.261 1.00 0.00 C ATOM 605 C THR A 127 0.495 -17.189 -5.926 1.00 0.00 C ATOM 606 O THR A 127 0.369 -17.878 -4.914 1.00 0.00 O ATOM 607 CB THR A 127 0.629 -18.924 -7.725 1.00 0.00 C ATOM 608 OG1 THR A 127 0.538 -19.939 -6.741 1.00 0.00 O ATOM 609 CG2 THR A 127 2.095 -18.708 -8.029 1.00 0.00 C ATOM 0 H THR A 127 0.784 -16.749 -8.942 1.00 0.00 H new ATOM 0 HA THR A 127 -1.144 -17.868 -7.113 1.00 0.00 H new ATOM 0 HB THR A 127 0.124 -19.220 -8.645 1.00 0.00 H new ATOM 0 HG1 THR A 127 0.299 -19.539 -5.879 1.00 0.00 H new ATOM 0 HG21 THR A 127 2.542 -19.648 -8.353 1.00 0.00 H new ATOM 0 HG22 THR A 127 2.197 -17.966 -8.821 1.00 0.00 H new ATOM 0 HG23 THR A 127 2.604 -18.354 -7.133 1.00 0.00 H new ATOM 617 N ILE A 128 1.132 -16.019 -5.924 1.00 0.00 N ATOM 618 CA ILE A 128 1.727 -15.474 -4.708 1.00 0.00 C ATOM 619 C ILE A 128 0.670 -15.205 -3.639 1.00 0.00 C ATOM 620 O ILE A 128 0.997 -15.029 -2.465 1.00 0.00 O ATOM 621 CB ILE A 128 2.488 -14.166 -4.991 1.00 0.00 C ATOM 622 CG1 ILE A 128 1.627 -13.218 -5.826 1.00 0.00 C ATOM 623 CG2 ILE A 128 3.804 -14.455 -5.697 1.00 0.00 C ATOM 624 CD1 ILE A 128 2.054 -11.771 -5.726 1.00 0.00 C ATOM 0 H ILE A 128 1.248 -15.432 -6.750 1.00 0.00 H new ATOM 0 HA ILE A 128 2.426 -16.227 -4.342 1.00 0.00 H new ATOM 0 HB ILE A 128 2.709 -13.683 -4.039 1.00 0.00 H new ATOM 0 HG12 ILE A 128 1.666 -13.529 -6.870 1.00 0.00 H new ATOM 0 HG13 ILE A 128 0.589 -13.305 -5.506 1.00 0.00 H new ATOM 0 HG21 ILE A 128 4.327 -13.518 -5.889 1.00 0.00 H new ATOM 0 HG22 ILE A 128 4.422 -15.094 -5.067 1.00 0.00 H new ATOM 0 HG23 ILE A 128 3.606 -14.960 -6.642 1.00 0.00 H new ATOM 0 HD11 ILE A 128 1.400 -11.155 -6.343 1.00 0.00 H new ATOM 0 HD12 ILE A 128 1.988 -11.443 -4.689 1.00 0.00 H new ATOM 0 HD13 ILE A 128 3.082 -11.670 -6.074 1.00 0.00 H new ATOM 636 N THR A 129 -0.597 -15.166 -4.050 1.00 0.00 N ATOM 637 CA THR A 129 -1.704 -14.909 -3.129 1.00 0.00 C ATOM 638 C THR A 129 -1.541 -15.683 -1.823 1.00 0.00 C ATOM 639 O THR A 129 -0.893 -16.728 -1.783 1.00 0.00 O ATOM 640 CB THR A 129 -3.036 -15.279 -3.785 1.00 0.00 C ATOM 641 OG1 THR A 129 -3.058 -16.651 -4.138 1.00 0.00 O ATOM 642 CG2 THR A 129 -3.331 -14.479 -5.035 1.00 0.00 C ATOM 0 H THR A 129 -0.883 -15.310 -5.018 1.00 0.00 H new ATOM 0 HA THR A 129 -1.696 -13.844 -2.895 1.00 0.00 H new ATOM 0 HB THR A 129 -3.797 -15.051 -3.039 1.00 0.00 H new ATOM 0 HG1 THR A 129 -3.918 -16.868 -4.554 1.00 0.00 H new ATOM 0 HG21 THR A 129 -4.290 -14.792 -5.449 1.00 0.00 H new ATOM 0 HG22 THR A 129 -3.371 -13.418 -4.787 1.00 0.00 H new ATOM 0 HG23 THR A 129 -2.545 -14.650 -5.770 1.00 0.00 H new ATOM 650 N GLU A 130 -2.140 -15.157 -0.758 1.00 0.00 N ATOM 651 CA GLU A 130 -2.072 -15.789 0.557 1.00 0.00 C ATOM 652 C GLU A 130 -0.665 -15.699 1.141 1.00 0.00 C ATOM 653 O GLU A 130 -0.451 -15.057 2.168 1.00 0.00 O ATOM 654 CB GLU A 130 -2.514 -17.250 0.468 1.00 0.00 C ATOM 655 CG GLU A 130 -3.774 -17.448 -0.359 1.00 0.00 C ATOM 656 CD GLU A 130 -4.690 -18.510 0.218 1.00 0.00 C ATOM 657 OE1 GLU A 130 -5.110 -18.361 1.385 1.00 0.00 O ATOM 658 OE2 GLU A 130 -4.986 -19.490 -0.497 1.00 0.00 O ATOM 0 H GLU A 130 -2.680 -14.292 -0.780 1.00 0.00 H new ATOM 0 HA GLU A 130 -2.749 -15.253 1.222 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -1.707 -17.841 0.035 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -2.684 -17.633 1.474 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -4.314 -16.503 -0.423 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -3.497 -17.726 -1.376 1.00 0.00 H new ATOM 665 N ASP A 131 0.292 -16.345 0.482 1.00 0.00 N ATOM 666 CA ASP A 131 1.676 -16.333 0.943 1.00 0.00 C ATOM 667 C ASP A 131 2.225 -14.910 0.979 1.00 0.00 C ATOM 668 O ASP A 131 2.641 -14.422 2.030 1.00 0.00 O ATOM 669 CB ASP A 131 2.545 -17.209 0.039 1.00 0.00 C ATOM 670 CG ASP A 131 3.496 -18.088 0.827 1.00 0.00 C ATOM 671 OD1 ASP A 131 3.132 -18.502 1.947 1.00 0.00 O ATOM 672 OD2 ASP A 131 4.605 -18.363 0.323 1.00 0.00 O ATOM 0 H ASP A 131 0.135 -16.882 -0.371 1.00 0.00 H new ATOM 0 HA ASP A 131 1.700 -16.736 1.955 1.00 0.00 H new ATOM 0 HB2 ASP A 131 1.903 -17.836 -0.580 1.00 0.00 H new ATOM 0 HB3 ASP A 131 3.117 -16.574 -0.637 1.00 0.00 H new ATOM 677 N ASP A 132 2.222 -14.248 -0.174 1.00 0.00 N ATOM 678 CA ASP A 132 2.719 -12.879 -0.270 1.00 0.00 C ATOM 679 C ASP A 132 1.950 -11.951 0.668 1.00 0.00 C ATOM 680 O ASP A 132 2.451 -10.898 1.061 1.00 0.00 O ATOM 681 CB ASP A 132 2.612 -12.374 -1.711 1.00 0.00 C ATOM 682 CG ASP A 132 3.962 -12.296 -2.397 1.00 0.00 C ATOM 683 OD1 ASP A 132 4.515 -13.362 -2.741 1.00 0.00 O ATOM 684 OD2 ASP A 132 4.467 -11.170 -2.588 1.00 0.00 O ATOM 0 H ASP A 132 1.882 -14.636 -1.054 1.00 0.00 H new ATOM 0 HA ASP A 132 3.767 -12.879 0.030 1.00 0.00 H new ATOM 0 HB2 ASP A 132 1.957 -13.036 -2.278 1.00 0.00 H new ATOM 0 HB3 ASP A 132 2.148 -11.388 -1.714 1.00 0.00 H new ATOM 689 N ILE A 133 0.733 -12.350 1.026 1.00 0.00 N ATOM 690 CA ILE A 133 -0.098 -11.554 1.919 1.00 0.00 C ATOM 691 C ILE A 133 0.567 -11.393 3.281 1.00 0.00 C ATOM 692 O ILE A 133 0.683 -10.283 3.802 1.00 0.00 O ATOM 693 CB ILE A 133 -1.487 -12.193 2.122 1.00 0.00 C ATOM 694 CG1 ILE A 133 -2.127 -12.544 0.774 1.00 0.00 C ATOM 695 CG2 ILE A 133 -2.386 -11.262 2.920 1.00 0.00 C ATOM 696 CD1 ILE A 133 -2.501 -11.339 -0.061 1.00 0.00 C ATOM 0 H ILE A 133 0.302 -13.219 0.711 1.00 0.00 H new ATOM 0 HA ILE A 133 -0.219 -10.578 1.449 1.00 0.00 H new ATOM 0 HB ILE A 133 -1.362 -13.118 2.685 1.00 0.00 H new ATOM 0 HG12 ILE A 133 -1.436 -13.166 0.206 1.00 0.00 H new ATOM 0 HG13 ILE A 133 -3.021 -13.142 0.952 1.00 0.00 H new ATOM 0 HG21 ILE A 133 -3.363 -11.727 3.055 1.00 0.00 H new ATOM 0 HG22 ILE A 133 -1.937 -11.070 3.895 1.00 0.00 H new ATOM 0 HG23 ILE A 133 -2.503 -10.321 2.383 1.00 0.00 H new ATOM 0 HD11 ILE A 133 -2.947 -11.670 -0.999 1.00 0.00 H new ATOM 0 HD12 ILE A 133 -3.218 -10.726 0.485 1.00 0.00 H new ATOM 0 HD13 ILE A 133 -1.608 -10.751 -0.272 1.00 0.00 H new ATOM 708 N GLU A 134 0.997 -12.512 3.854 1.00 0.00 N ATOM 709 CA GLU A 134 1.646 -12.509 5.159 1.00 0.00 C ATOM 710 C GLU A 134 3.056 -11.929 5.075 1.00 0.00 C ATOM 711 O GLU A 134 3.581 -11.409 6.060 1.00 0.00 O ATOM 712 CB GLU A 134 1.699 -13.931 5.723 1.00 0.00 C ATOM 713 CG GLU A 134 0.725 -14.169 6.865 1.00 0.00 C ATOM 714 CD GLU A 134 1.394 -14.105 8.224 1.00 0.00 C ATOM 715 OE1 GLU A 134 1.561 -12.985 8.751 1.00 0.00 O ATOM 716 OE2 GLU A 134 1.749 -15.174 8.762 1.00 0.00 O ATOM 0 H GLU A 134 0.907 -13.436 3.432 1.00 0.00 H new ATOM 0 HA GLU A 134 1.059 -11.878 5.826 1.00 0.00 H new ATOM 0 HB2 GLU A 134 1.487 -14.639 4.922 1.00 0.00 H new ATOM 0 HB3 GLU A 134 2.711 -14.138 6.071 1.00 0.00 H new ATOM 0 HG2 GLU A 134 -0.071 -13.425 6.820 1.00 0.00 H new ATOM 0 HG3 GLU A 134 0.256 -15.145 6.740 1.00 0.00 H new ATOM 723 N GLU A 135 3.668 -12.028 3.899 1.00 0.00 N ATOM 724 CA GLU A 135 5.020 -11.519 3.699 1.00 0.00 C ATOM 725 C GLU A 135 5.027 -10.001 3.557 1.00 0.00 C ATOM 726 O GLU A 135 5.855 -9.318 4.160 1.00 0.00 O ATOM 727 CB GLU A 135 5.653 -12.163 2.464 1.00 0.00 C ATOM 728 CG GLU A 135 6.498 -13.386 2.782 1.00 0.00 C ATOM 729 CD GLU A 135 7.025 -14.070 1.536 1.00 0.00 C ATOM 730 OE1 GLU A 135 6.201 -14.544 0.725 1.00 0.00 O ATOM 731 OE2 GLU A 135 8.262 -14.132 1.370 1.00 0.00 O ATOM 0 H GLU A 135 3.250 -12.455 3.072 1.00 0.00 H new ATOM 0 HA GLU A 135 5.607 -11.779 4.580 1.00 0.00 H new ATOM 0 HB2 GLU A 135 4.864 -12.448 1.768 1.00 0.00 H new ATOM 0 HB3 GLU A 135 6.274 -11.424 1.957 1.00 0.00 H new ATOM 0 HG2 GLU A 135 7.337 -13.090 3.412 1.00 0.00 H new ATOM 0 HG3 GLU A 135 5.902 -14.095 3.357 1.00 0.00 H new ATOM 738 N LEU A 136 4.106 -9.473 2.758 1.00 0.00 N ATOM 739 CA LEU A 136 4.025 -8.033 2.549 1.00 0.00 C ATOM 740 C LEU A 136 3.569 -7.329 3.821 1.00 0.00 C ATOM 741 O LEU A 136 4.147 -6.321 4.228 1.00 0.00 O ATOM 742 CB LEU A 136 3.071 -7.706 1.397 1.00 0.00 C ATOM 743 CG LEU A 136 2.879 -6.212 1.112 1.00 0.00 C ATOM 744 CD1 LEU A 136 4.174 -5.449 1.344 1.00 0.00 C ATOM 745 CD2 LEU A 136 2.384 -6.000 -0.311 1.00 0.00 C ATOM 0 H LEU A 136 3.410 -10.017 2.248 1.00 0.00 H new ATOM 0 HA LEU A 136 5.021 -7.674 2.290 1.00 0.00 H new ATOM 0 HB2 LEU A 136 3.442 -8.187 0.492 1.00 0.00 H new ATOM 0 HB3 LEU A 136 2.098 -8.146 1.616 1.00 0.00 H new ATOM 0 HG LEU A 136 2.127 -5.827 1.801 1.00 0.00 H new ATOM 0 HD11 LEU A 136 4.015 -4.391 1.136 1.00 0.00 H new ATOM 0 HD12 LEU A 136 4.488 -5.572 2.381 1.00 0.00 H new ATOM 0 HD13 LEU A 136 4.948 -5.837 0.682 1.00 0.00 H new ATOM 0 HD21 LEU A 136 2.253 -4.934 -0.496 1.00 0.00 H new ATOM 0 HD22 LEU A 136 3.113 -6.403 -1.014 1.00 0.00 H new ATOM 0 HD23 LEU A 136 1.430 -6.511 -0.444 1.00 0.00 H new ATOM 757 N MET A 137 2.530 -7.871 4.446 1.00 0.00 N ATOM 758 CA MET A 137 1.987 -7.306 5.679 1.00 0.00 C ATOM 759 C MET A 137 3.099 -6.974 6.671 1.00 0.00 C ATOM 760 O MET A 137 3.003 -6.005 7.423 1.00 0.00 O ATOM 761 CB MET A 137 0.998 -8.283 6.319 1.00 0.00 C ATOM 762 CG MET A 137 -0.090 -7.602 7.134 1.00 0.00 C ATOM 763 SD MET A 137 0.147 -7.796 8.912 1.00 0.00 S ATOM 764 CE MET A 137 -1.155 -6.741 9.544 1.00 0.00 C ATOM 0 H MET A 137 2.044 -8.705 4.118 1.00 0.00 H new ATOM 0 HA MET A 137 1.468 -6.382 5.423 1.00 0.00 H new ATOM 0 HB2 MET A 137 0.533 -8.881 5.536 1.00 0.00 H new ATOM 0 HB3 MET A 137 1.545 -8.971 6.963 1.00 0.00 H new ATOM 0 HG2 MET A 137 -0.111 -6.540 6.888 1.00 0.00 H new ATOM 0 HG3 MET A 137 -1.060 -8.014 6.854 1.00 0.00 H new ATOM 0 HE1 MET A 137 -0.831 -6.284 10.479 1.00 0.00 H new ATOM 0 HE2 MET A 137 -1.376 -5.960 8.816 1.00 0.00 H new ATOM 0 HE3 MET A 137 -2.051 -7.336 9.722 1.00 0.00 H new ATOM 774 N LYS A 138 4.155 -7.784 6.665 1.00 0.00 N ATOM 775 CA LYS A 138 5.284 -7.569 7.564 1.00 0.00 C ATOM 776 C LYS A 138 5.881 -6.178 7.366 1.00 0.00 C ATOM 777 O LYS A 138 6.459 -5.602 8.287 1.00 0.00 O ATOM 778 CB LYS A 138 6.356 -8.636 7.334 1.00 0.00 C ATOM 779 CG LYS A 138 6.270 -9.804 8.304 1.00 0.00 C ATOM 780 CD LYS A 138 7.455 -10.744 8.151 1.00 0.00 C ATOM 781 CE LYS A 138 7.081 -11.989 7.363 1.00 0.00 C ATOM 782 NZ LYS A 138 7.981 -13.134 7.673 1.00 0.00 N ATOM 0 H LYS A 138 4.252 -8.592 6.050 1.00 0.00 H new ATOM 0 HA LYS A 138 4.920 -7.645 8.589 1.00 0.00 H new ATOM 0 HB2 LYS A 138 6.268 -9.013 6.315 1.00 0.00 H new ATOM 0 HB3 LYS A 138 7.340 -8.175 7.420 1.00 0.00 H new ATOM 0 HG2 LYS A 138 6.233 -9.427 9.326 1.00 0.00 H new ATOM 0 HG3 LYS A 138 5.344 -10.353 8.133 1.00 0.00 H new ATOM 0 HD2 LYS A 138 8.270 -10.224 7.647 1.00 0.00 H new ATOM 0 HD3 LYS A 138 7.822 -11.032 9.136 1.00 0.00 H new ATOM 0 HE2 LYS A 138 6.051 -12.266 7.589 1.00 0.00 H new ATOM 0 HE3 LYS A 138 7.126 -11.770 6.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 7.693 -13.963 7.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 8.961 -12.880 7.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 7.919 -13.360 8.686 1.00 0.00 H new ATOM 796 N ASP A 139 5.736 -5.645 6.156 1.00 0.00 N ATOM 797 CA ASP A 139 6.258 -4.322 5.835 1.00 0.00 C ATOM 798 C ASP A 139 5.407 -3.229 6.474 1.00 0.00 C ATOM 799 O ASP A 139 5.926 -2.341 7.151 1.00 0.00 O ATOM 800 CB ASP A 139 6.305 -4.126 4.319 1.00 0.00 C ATOM 801 CG ASP A 139 7.422 -3.194 3.890 1.00 0.00 C ATOM 802 OD1 ASP A 139 8.561 -3.372 4.372 1.00 0.00 O ATOM 803 OD2 ASP A 139 7.158 -2.288 3.072 1.00 0.00 O ATOM 0 H ASP A 139 5.261 -6.110 5.382 1.00 0.00 H new ATOM 0 HA ASP A 139 7.269 -4.250 6.237 1.00 0.00 H new ATOM 0 HB2 ASP A 139 6.437 -5.093 3.834 1.00 0.00 H new ATOM 0 HB3 ASP A 139 5.350 -3.726 3.978 1.00 0.00 H new ATOM 808 N GLY A 140 4.098 -3.301 6.255 1.00 0.00 N ATOM 809 CA GLY A 140 3.197 -2.311 6.818 1.00 0.00 C ATOM 810 C GLY A 140 3.297 -2.232 8.328 1.00 0.00 C ATOM 811 O GLY A 140 3.731 -1.218 8.876 1.00 0.00 O ATOM 0 H GLY A 140 3.645 -4.026 5.699 1.00 0.00 H new ATOM 0 HA2 GLY A 140 3.422 -1.334 6.390 1.00 0.00 H new ATOM 0 HA3 GLY A 140 2.172 -2.554 6.537 1.00 0.00 H new ATOM 815 N ASP A 141 2.895 -3.303 9.000 1.00 0.00 N ATOM 816 CA ASP A 141 2.940 -3.354 10.456 1.00 0.00 C ATOM 817 C ASP A 141 4.357 -3.640 10.945 1.00 0.00 C ATOM 818 O ASP A 141 4.793 -4.790 10.979 1.00 0.00 O ATOM 819 CB ASP A 141 1.975 -4.421 10.976 1.00 0.00 C ATOM 820 CG ASP A 141 1.996 -4.536 12.488 1.00 0.00 C ATOM 821 OD1 ASP A 141 1.962 -3.486 13.163 1.00 0.00 O ATOM 822 OD2 ASP A 141 2.045 -5.675 12.996 1.00 0.00 O ATOM 0 H ASP A 141 2.534 -4.149 8.560 1.00 0.00 H new ATOM 0 HA ASP A 141 2.635 -2.382 10.843 1.00 0.00 H new ATOM 0 HB2 ASP A 141 0.964 -4.183 10.647 1.00 0.00 H new ATOM 0 HB3 ASP A 141 2.234 -5.385 10.538 1.00 0.00 H new ATOM 827 N LYS A 142 5.071 -2.583 11.320 1.00 0.00 N ATOM 828 CA LYS A 142 6.440 -2.717 11.806 1.00 0.00 C ATOM 829 C LYS A 142 6.560 -2.215 13.241 1.00 0.00 C ATOM 830 O LYS A 142 7.590 -1.666 13.634 1.00 0.00 O ATOM 831 CB LYS A 142 7.400 -1.943 10.903 1.00 0.00 C ATOM 832 CG LYS A 142 7.836 -2.718 9.669 1.00 0.00 C ATOM 833 CD LYS A 142 9.342 -2.928 9.642 1.00 0.00 C ATOM 834 CE LYS A 142 9.712 -4.214 8.921 1.00 0.00 C ATOM 835 NZ LYS A 142 10.041 -5.311 9.873 1.00 0.00 N ATOM 0 H LYS A 142 4.724 -1.624 11.297 1.00 0.00 H new ATOM 0 HA LYS A 142 6.704 -3.774 11.787 1.00 0.00 H new ATOM 0 HB2 LYS A 142 6.921 -1.016 10.589 1.00 0.00 H new ATOM 0 HB3 LYS A 142 8.283 -1.667 11.479 1.00 0.00 H new ATOM 0 HG2 LYS A 142 7.333 -3.685 9.649 1.00 0.00 H new ATOM 0 HG3 LYS A 142 7.527 -2.180 8.773 1.00 0.00 H new ATOM 0 HD2 LYS A 142 9.820 -2.082 9.148 1.00 0.00 H new ATOM 0 HD3 LYS A 142 9.725 -2.959 10.662 1.00 0.00 H new ATOM 0 HE2 LYS A 142 8.884 -4.523 8.283 1.00 0.00 H new ATOM 0 HE3 LYS A 142 10.566 -4.031 8.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 10.288 -6.170 9.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 10.847 -5.027 10.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 9.218 -5.503 10.479 1.00 0.00 H new ATOM 849 N ASN A 143 5.500 -2.406 14.019 1.00 0.00 N ATOM 850 CA ASN A 143 5.485 -1.972 15.412 1.00 0.00 C ATOM 851 C ASN A 143 5.401 -3.164 16.365 1.00 0.00 C ATOM 852 O ASN A 143 5.289 -2.989 17.579 1.00 0.00 O ATOM 853 CB ASN A 143 4.308 -1.026 15.657 1.00 0.00 C ATOM 854 CG ASN A 143 4.691 0.431 15.484 1.00 0.00 C ATOM 855 OD1 ASN A 143 5.835 0.817 15.723 1.00 0.00 O ATOM 856 ND2 ASN A 143 3.732 1.249 15.067 1.00 0.00 N ATOM 0 H ASN A 143 4.640 -2.858 13.709 1.00 0.00 H new ATOM 0 HA ASN A 143 6.419 -1.445 15.608 1.00 0.00 H new ATOM 0 HB2 ASN A 143 3.500 -1.270 14.968 1.00 0.00 H new ATOM 0 HB3 ASN A 143 3.925 -1.181 16.666 1.00 0.00 H new ATOM 0 HD21 ASN A 143 3.930 2.241 14.933 1.00 0.00 H new ATOM 0 HD22 ASN A 143 2.797 0.886 14.881 1.00 0.00 H new ATOM 863 N ASN A 144 5.455 -4.374 15.813 1.00 0.00 N ATOM 864 CA ASN A 144 5.386 -5.585 16.623 1.00 0.00 C ATOM 865 C ASN A 144 4.071 -5.649 17.396 1.00 0.00 C ATOM 866 O ASN A 144 4.041 -6.056 18.557 1.00 0.00 O ATOM 867 CB ASN A 144 6.567 -5.639 17.593 1.00 0.00 C ATOM 868 CG ASN A 144 7.122 -7.041 17.750 1.00 0.00 C ATOM 869 OD1 ASN A 144 6.986 -7.879 16.858 1.00 0.00 O ATOM 870 ND2 ASN A 144 7.752 -7.305 18.889 1.00 0.00 N ATOM 0 H ASN A 144 5.546 -4.541 14.811 1.00 0.00 H new ATOM 0 HA ASN A 144 5.434 -6.445 15.955 1.00 0.00 H new ATOM 0 HB2 ASN A 144 7.356 -4.976 17.238 1.00 0.00 H new ATOM 0 HB3 ASN A 144 6.251 -5.265 18.567 1.00 0.00 H new ATOM 0 HD21 ASN A 144 8.146 -8.232 19.051 1.00 0.00 H new ATOM 0 HD22 ASN A 144 7.842 -6.581 19.602 1.00 0.00 H new ATOM 877 N ASP A 145 2.987 -5.246 16.742 1.00 0.00 N ATOM 878 CA ASP A 145 1.668 -5.259 17.365 1.00 0.00 C ATOM 879 C ASP A 145 0.688 -6.093 16.546 1.00 0.00 C ATOM 880 O ASP A 145 -0.098 -6.863 17.097 1.00 0.00 O ATOM 881 CB ASP A 145 1.139 -3.831 17.518 1.00 0.00 C ATOM 882 CG ASP A 145 0.966 -3.132 16.184 1.00 0.00 C ATOM 883 OD1 ASP A 145 1.990 -2.789 15.556 1.00 0.00 O ATOM 884 OD2 ASP A 145 -0.193 -2.927 15.767 1.00 0.00 O ATOM 0 H ASP A 145 2.996 -4.906 15.780 1.00 0.00 H new ATOM 0 HA ASP A 145 1.764 -5.711 18.352 1.00 0.00 H new ATOM 0 HB2 ASP A 145 0.182 -3.855 18.039 1.00 0.00 H new ATOM 0 HB3 ASP A 145 1.826 -3.257 18.139 1.00 0.00 H new ATOM 889 N GLY A 146 0.742 -5.935 15.228 1.00 0.00 N ATOM 890 CA GLY A 146 -0.145 -6.681 14.353 1.00 0.00 C ATOM 891 C GLY A 146 -1.135 -5.790 13.627 1.00 0.00 C ATOM 892 O GLY A 146 -2.173 -6.260 13.160 1.00 0.00 O ATOM 0 H GLY A 146 1.384 -5.304 14.749 1.00 0.00 H new ATOM 0 HA2 GLY A 146 0.449 -7.229 13.622 1.00 0.00 H new ATOM 0 HA3 GLY A 146 -0.690 -7.421 14.940 1.00 0.00 H new ATOM 896 N ARG A 147 -0.818 -4.502 13.531 1.00 0.00 N ATOM 897 CA ARG A 147 -1.691 -3.549 12.856 1.00 0.00 C ATOM 898 C ARG A 147 -0.891 -2.383 12.285 1.00 0.00 C ATOM 899 O ARG A 147 0.054 -1.900 12.910 1.00 0.00 O ATOM 900 CB ARG A 147 -2.752 -3.025 13.826 1.00 0.00 C ATOM 901 CG ARG A 147 -3.926 -3.972 14.016 1.00 0.00 C ATOM 902 CD ARG A 147 -5.171 -3.231 14.479 1.00 0.00 C ATOM 903 NE ARG A 147 -5.422 -3.420 15.906 1.00 0.00 N ATOM 904 CZ ARG A 147 -4.823 -2.718 16.867 1.00 0.00 C ATOM 905 NH1 ARG A 147 -3.940 -1.776 16.560 1.00 0.00 N ATOM 906 NH2 ARG A 147 -5.111 -2.958 18.139 1.00 0.00 N ATOM 0 H ARG A 147 0.036 -4.095 13.912 1.00 0.00 H new ATOM 0 HA ARG A 147 -2.182 -4.066 12.032 1.00 0.00 H new ATOM 0 HB2 ARG A 147 -2.287 -2.838 14.794 1.00 0.00 H new ATOM 0 HB3 ARG A 147 -3.124 -2.068 13.461 1.00 0.00 H new ATOM 0 HG2 ARG A 147 -4.135 -4.486 13.078 1.00 0.00 H new ATOM 0 HG3 ARG A 147 -3.663 -4.737 14.747 1.00 0.00 H new ATOM 0 HD2 ARG A 147 -5.059 -2.167 14.268 1.00 0.00 H new ATOM 0 HD3 ARG A 147 -6.033 -3.580 13.910 1.00 0.00 H new ATOM 0 HE ARG A 147 -6.097 -4.133 16.183 1.00 0.00 H new ATOM 0 HH11 ARG A 147 -3.716 -1.586 15.583 1.00 0.00 H new ATOM 0 HH12 ARG A 147 -3.485 -1.242 17.301 1.00 0.00 H new ATOM 0 HH21 ARG A 147 -5.790 -3.679 18.381 1.00 0.00 H new ATOM 0 HH22 ARG A 147 -4.653 -2.421 18.876 1.00 0.00 H new ATOM 920 N ILE A 148 -1.278 -1.932 11.096 1.00 0.00 N ATOM 921 CA ILE A 148 -0.602 -0.820 10.441 1.00 0.00 C ATOM 922 C ILE A 148 -1.553 0.366 10.294 1.00 0.00 C ATOM 923 O ILE A 148 -2.701 0.199 9.892 1.00 0.00 O ATOM 924 CB ILE A 148 -0.057 -1.247 9.059 1.00 0.00 C ATOM 925 CG1 ILE A 148 1.014 -0.269 8.573 1.00 0.00 C ATOM 926 CG2 ILE A 148 -1.175 -1.372 8.038 1.00 0.00 C ATOM 927 CD1 ILE A 148 0.470 1.083 8.171 1.00 0.00 C ATOM 0 H ILE A 148 -2.058 -2.321 10.566 1.00 0.00 H new ATOM 0 HA ILE A 148 0.241 -0.518 11.062 1.00 0.00 H new ATOM 0 HB ILE A 148 0.401 -2.230 9.172 1.00 0.00 H new ATOM 0 HG12 ILE A 148 1.753 -0.133 9.363 1.00 0.00 H new ATOM 0 HG13 ILE A 148 1.534 -0.708 7.722 1.00 0.00 H new ATOM 0 HG21 ILE A 148 -0.758 -1.674 7.077 1.00 0.00 H new ATOM 0 HG22 ILE A 148 -1.892 -2.121 8.374 1.00 0.00 H new ATOM 0 HG23 ILE A 148 -1.678 -0.411 7.930 1.00 0.00 H new ATOM 0 HD11 ILE A 148 1.289 1.720 7.838 1.00 0.00 H new ATOM 0 HD12 ILE A 148 -0.247 0.960 7.359 1.00 0.00 H new ATOM 0 HD13 ILE A 148 -0.025 1.545 9.025 1.00 0.00 H new ATOM 939 N ASP A 149 -1.077 1.561 10.640 1.00 0.00 N ATOM 940 CA ASP A 149 -1.905 2.763 10.563 1.00 0.00 C ATOM 941 C ASP A 149 -1.368 3.759 9.538 1.00 0.00 C ATOM 942 O ASP A 149 -0.225 3.659 9.096 1.00 0.00 O ATOM 943 CB ASP A 149 -1.986 3.428 11.940 1.00 0.00 C ATOM 944 CG ASP A 149 -2.991 4.563 11.981 1.00 0.00 C ATOM 945 OD1 ASP A 149 -4.203 4.280 12.074 1.00 0.00 O ATOM 946 OD2 ASP A 149 -2.564 5.736 11.919 1.00 0.00 O ATOM 0 H ASP A 149 -0.127 1.722 10.975 1.00 0.00 H new ATOM 0 HA ASP A 149 -2.901 2.459 10.240 1.00 0.00 H new ATOM 0 HB2 ASP A 149 -2.257 2.680 12.685 1.00 0.00 H new ATOM 0 HB3 ASP A 149 -1.002 3.809 12.214 1.00 0.00 H new ATOM 951 N TYR A 150 -2.214 4.721 9.166 1.00 0.00 N ATOM 952 CA TYR A 150 -1.857 5.754 8.190 1.00 0.00 C ATOM 953 C TYR A 150 -0.400 6.194 8.331 1.00 0.00 C ATOM 954 O TYR A 150 0.262 6.499 7.339 1.00 0.00 O ATOM 955 CB TYR A 150 -2.784 6.962 8.352 1.00 0.00 C ATOM 956 CG TYR A 150 -2.523 8.081 7.365 1.00 0.00 C ATOM 957 CD1 TYR A 150 -1.940 7.830 6.129 1.00 0.00 C ATOM 958 CD2 TYR A 150 -2.866 9.392 7.673 1.00 0.00 C ATOM 959 CE1 TYR A 150 -1.705 8.853 5.230 1.00 0.00 C ATOM 960 CE2 TYR A 150 -2.634 10.420 6.779 1.00 0.00 C ATOM 961 CZ TYR A 150 -2.054 10.146 5.560 1.00 0.00 C ATOM 962 OH TYR A 150 -1.822 11.168 4.667 1.00 0.00 O ATOM 0 H TYR A 150 -3.163 4.807 9.531 1.00 0.00 H new ATOM 0 HA TYR A 150 -1.977 5.326 7.195 1.00 0.00 H new ATOM 0 HB2 TYR A 150 -3.817 6.631 8.244 1.00 0.00 H new ATOM 0 HB3 TYR A 150 -2.679 7.353 9.364 1.00 0.00 H new ATOM 0 HD1 TYR A 150 -1.666 6.819 5.867 1.00 0.00 H new ATOM 0 HD2 TYR A 150 -3.322 9.611 8.627 1.00 0.00 H new ATOM 0 HE1 TYR A 150 -1.250 8.641 4.274 1.00 0.00 H new ATOM 0 HE2 TYR A 150 -2.906 11.433 7.035 1.00 0.00 H new ATOM 0 HH TYR A 150 -1.301 10.829 3.910 1.00 0.00 H new ATOM 972 N ASP A 151 0.094 6.221 9.564 1.00 0.00 N ATOM 973 CA ASP A 151 1.473 6.621 9.823 1.00 0.00 C ATOM 974 C ASP A 151 2.449 5.666 9.142 1.00 0.00 C ATOM 975 O ASP A 151 3.134 6.039 8.190 1.00 0.00 O ATOM 976 CB ASP A 151 1.742 6.662 11.330 1.00 0.00 C ATOM 977 CG ASP A 151 2.358 7.975 11.771 1.00 0.00 C ATOM 978 OD1 ASP A 151 3.585 8.142 11.603 1.00 0.00 O ATOM 979 OD2 ASP A 151 1.615 8.837 12.286 1.00 0.00 O ATOM 0 H ASP A 151 -0.438 5.972 10.398 1.00 0.00 H new ATOM 0 HA ASP A 151 1.621 7.619 9.411 1.00 0.00 H new ATOM 0 HB2 ASP A 151 0.807 6.504 11.868 1.00 0.00 H new ATOM 0 HB3 ASP A 151 2.408 5.842 11.600 1.00 0.00 H new ATOM 984 N GLU A 152 2.502 4.431 9.631 1.00 0.00 N ATOM 985 CA GLU A 152 3.390 3.424 9.063 1.00 0.00 C ATOM 986 C GLU A 152 3.076 3.197 7.588 1.00 0.00 C ATOM 987 O GLU A 152 3.945 2.802 6.812 1.00 0.00 O ATOM 988 CB GLU A 152 3.268 2.108 9.835 1.00 0.00 C ATOM 989 CG GLU A 152 4.173 2.032 11.054 1.00 0.00 C ATOM 990 CD GLU A 152 3.606 1.145 12.145 1.00 0.00 C ATOM 991 OE1 GLU A 152 2.462 1.396 12.579 1.00 0.00 O ATOM 992 OE2 GLU A 152 4.305 0.199 12.564 1.00 0.00 O ATOM 0 H GLU A 152 1.941 4.104 10.418 1.00 0.00 H new ATOM 0 HA GLU A 152 4.414 3.788 9.147 1.00 0.00 H new ATOM 0 HB2 GLU A 152 2.233 1.977 10.152 1.00 0.00 H new ATOM 0 HB3 GLU A 152 3.504 1.281 9.166 1.00 0.00 H new ATOM 0 HG2 GLU A 152 5.150 1.653 10.754 1.00 0.00 H new ATOM 0 HG3 GLU A 152 4.328 3.036 11.450 1.00 0.00 H new ATOM 999 N PHE A 153 1.828 3.456 7.206 1.00 0.00 N ATOM 1000 CA PHE A 153 1.402 3.288 5.822 1.00 0.00 C ATOM 1001 C PHE A 153 2.275 4.122 4.889 1.00 0.00 C ATOM 1002 O PHE A 153 2.636 3.681 3.800 1.00 0.00 O ATOM 1003 CB PHE A 153 -0.075 3.681 5.674 1.00 0.00 C ATOM 1004 CG PHE A 153 -0.531 3.850 4.248 1.00 0.00 C ATOM 1005 CD1 PHE A 153 0.050 3.117 3.226 1.00 0.00 C ATOM 1006 CD2 PHE A 153 -1.537 4.748 3.933 1.00 0.00 C ATOM 1007 CE1 PHE A 153 -0.364 3.276 1.920 1.00 0.00 C ATOM 1008 CE2 PHE A 153 -1.956 4.911 2.627 1.00 0.00 C ATOM 1009 CZ PHE A 153 -1.368 4.174 1.619 1.00 0.00 C ATOM 0 H PHE A 153 1.095 3.783 7.836 1.00 0.00 H new ATOM 0 HA PHE A 153 1.513 2.239 5.546 1.00 0.00 H new ATOM 0 HB2 PHE A 153 -0.691 2.920 6.153 1.00 0.00 H new ATOM 0 HB3 PHE A 153 -0.246 4.614 6.211 1.00 0.00 H new ATOM 0 HD1 PHE A 153 0.836 2.413 3.455 1.00 0.00 H new ATOM 0 HD2 PHE A 153 -2.000 5.328 4.718 1.00 0.00 H new ATOM 0 HE1 PHE A 153 0.097 2.698 1.133 1.00 0.00 H new ATOM 0 HE2 PHE A 153 -2.742 5.614 2.395 1.00 0.00 H new ATOM 0 HZ PHE A 153 -1.693 4.300 0.597 1.00 0.00 H new ATOM 1019 N LEU A 154 2.615 5.328 5.324 1.00 0.00 N ATOM 1020 CA LEU A 154 3.449 6.213 4.523 1.00 0.00 C ATOM 1021 C LEU A 154 4.835 5.610 4.304 1.00 0.00 C ATOM 1022 O LEU A 154 5.560 6.017 3.396 1.00 0.00 O ATOM 1023 CB LEU A 154 3.555 7.587 5.188 1.00 0.00 C ATOM 1024 CG LEU A 154 2.228 8.184 5.678 1.00 0.00 C ATOM 1025 CD1 LEU A 154 2.374 9.681 5.910 1.00 0.00 C ATOM 1026 CD2 LEU A 154 1.093 7.906 4.692 1.00 0.00 C ATOM 0 H LEU A 154 2.327 5.714 6.223 1.00 0.00 H new ATOM 0 HA LEU A 154 2.980 6.334 3.547 1.00 0.00 H new ATOM 0 HB2 LEU A 154 4.235 7.510 6.037 1.00 0.00 H new ATOM 0 HB3 LEU A 154 4.007 8.281 4.479 1.00 0.00 H new ATOM 0 HG LEU A 154 1.974 7.703 6.623 1.00 0.00 H new ATOM 0 HD11 LEU A 154 1.425 10.090 6.257 1.00 0.00 H new ATOM 0 HD12 LEU A 154 3.143 9.859 6.662 1.00 0.00 H new ATOM 0 HD13 LEU A 154 2.659 10.168 4.977 1.00 0.00 H new ATOM 0 HD21 LEU A 154 0.168 8.342 5.069 1.00 0.00 H new ATOM 0 HD22 LEU A 154 1.335 8.348 3.725 1.00 0.00 H new ATOM 0 HD23 LEU A 154 0.966 6.829 4.577 1.00 0.00 H new ATOM 1038 N GLU A 155 5.193 4.626 5.126 1.00 0.00 N ATOM 1039 CA GLU A 155 6.483 3.959 5.000 1.00 0.00 C ATOM 1040 C GLU A 155 6.520 3.106 3.734 1.00 0.00 C ATOM 1041 O GLU A 155 7.589 2.805 3.203 1.00 0.00 O ATOM 1042 CB GLU A 155 6.755 3.087 6.228 1.00 0.00 C ATOM 1043 CG GLU A 155 8.192 2.602 6.325 1.00 0.00 C ATOM 1044 CD GLU A 155 8.436 1.742 7.549 1.00 0.00 C ATOM 1045 OE1 GLU A 155 8.668 2.309 8.637 1.00 0.00 O ATOM 1046 OE2 GLU A 155 8.396 0.500 7.419 1.00 0.00 O ATOM 0 H GLU A 155 4.608 4.275 5.884 1.00 0.00 H new ATOM 0 HA GLU A 155 7.259 4.721 4.932 1.00 0.00 H new ATOM 0 HB2 GLU A 155 6.510 3.653 7.127 1.00 0.00 H new ATOM 0 HB3 GLU A 155 6.090 2.224 6.204 1.00 0.00 H new ATOM 0 HG2 GLU A 155 8.440 2.032 5.430 1.00 0.00 H new ATOM 0 HG3 GLU A 155 8.861 3.462 6.351 1.00 0.00 H new ATOM 1053 N PHE A 156 5.338 2.723 3.255 1.00 0.00 N ATOM 1054 CA PHE A 156 5.221 1.912 2.047 1.00 0.00 C ATOM 1055 C PHE A 156 5.857 2.623 0.854 1.00 0.00 C ATOM 1056 O PHE A 156 6.777 2.102 0.224 1.00 0.00 O ATOM 1057 CB PHE A 156 3.745 1.625 1.755 1.00 0.00 C ATOM 1058 CG PHE A 156 3.428 0.169 1.575 1.00 0.00 C ATOM 1059 CD1 PHE A 156 3.196 -0.644 2.674 1.00 0.00 C ATOM 1060 CD2 PHE A 156 3.351 -0.384 0.308 1.00 0.00 C ATOM 1061 CE1 PHE A 156 2.893 -1.982 2.511 1.00 0.00 C ATOM 1062 CE2 PHE A 156 3.050 -1.722 0.139 1.00 0.00 C ATOM 1063 CZ PHE A 156 2.821 -2.522 1.242 1.00 0.00 C ATOM 0 H PHE A 156 4.446 2.963 3.687 1.00 0.00 H new ATOM 0 HA PHE A 156 5.748 0.972 2.209 1.00 0.00 H new ATOM 0 HB2 PHE A 156 3.141 2.019 2.572 1.00 0.00 H new ATOM 0 HB3 PHE A 156 3.453 2.164 0.854 1.00 0.00 H new ATOM 0 HD1 PHE A 156 3.253 -0.227 3.668 1.00 0.00 H new ATOM 0 HD2 PHE A 156 3.528 0.237 -0.558 1.00 0.00 H new ATOM 0 HE1 PHE A 156 2.713 -2.605 3.375 1.00 0.00 H new ATOM 0 HE2 PHE A 156 2.994 -2.142 -0.854 1.00 0.00 H new ATOM 0 HZ PHE A 156 2.586 -3.568 1.112 1.00 0.00 H new ATOM 1073 N MET A 157 5.354 3.817 0.554 1.00 0.00 N ATOM 1074 CA MET A 157 5.864 4.613 -0.563 1.00 0.00 C ATOM 1075 C MET A 157 7.354 4.882 -0.403 1.00 0.00 C ATOM 1076 O MET A 157 8.096 4.923 -1.383 1.00 0.00 O ATOM 1077 CB MET A 157 5.121 5.948 -0.668 1.00 0.00 C ATOM 1078 CG MET A 157 3.633 5.856 -0.381 1.00 0.00 C ATOM 1079 SD MET A 157 2.752 4.856 -1.593 1.00 0.00 S ATOM 1080 CE MET A 157 2.424 6.079 -2.860 1.00 0.00 C ATOM 0 H MET A 157 4.592 4.257 1.069 1.00 0.00 H new ATOM 0 HA MET A 157 5.699 4.038 -1.474 1.00 0.00 H new ATOM 0 HB2 MET A 157 5.571 6.657 0.027 1.00 0.00 H new ATOM 0 HB3 MET A 157 5.262 6.352 -1.671 1.00 0.00 H new ATOM 0 HG2 MET A 157 3.484 5.431 0.612 1.00 0.00 H new ATOM 0 HG3 MET A 157 3.207 6.859 -0.365 1.00 0.00 H new ATOM 0 HE1 MET A 157 2.233 5.578 -3.809 1.00 0.00 H new ATOM 0 HE2 MET A 157 1.552 6.669 -2.579 1.00 0.00 H new ATOM 0 HE3 MET A 157 3.288 6.735 -2.964 1.00 0.00 H new ATOM 1090 N LYS A 158 7.780 5.073 0.843 1.00 0.00 N ATOM 1091 CA LYS A 158 9.185 5.350 1.147 1.00 0.00 C ATOM 1092 C LYS A 158 10.118 4.459 0.327 1.00 0.00 C ATOM 1093 O LYS A 158 11.229 4.861 -0.018 1.00 0.00 O ATOM 1094 CB LYS A 158 9.450 5.155 2.642 1.00 0.00 C ATOM 1095 CG LYS A 158 9.844 6.437 3.361 1.00 0.00 C ATOM 1096 CD LYS A 158 11.232 6.336 3.979 1.00 0.00 C ATOM 1097 CE LYS A 158 12.199 7.325 3.348 1.00 0.00 C ATOM 1098 NZ LYS A 158 13.063 6.680 2.321 1.00 0.00 N ATOM 0 H LYS A 158 7.172 5.041 1.662 1.00 0.00 H new ATOM 0 HA LYS A 158 9.388 6.387 0.879 1.00 0.00 H new ATOM 0 HB2 LYS A 158 8.556 4.745 3.111 1.00 0.00 H new ATOM 0 HB3 LYS A 158 10.243 4.418 2.769 1.00 0.00 H new ATOM 0 HG2 LYS A 158 9.819 7.270 2.658 1.00 0.00 H new ATOM 0 HG3 LYS A 158 9.114 6.655 4.141 1.00 0.00 H new ATOM 0 HD2 LYS A 158 11.168 6.522 5.051 1.00 0.00 H new ATOM 0 HD3 LYS A 158 11.614 5.323 3.854 1.00 0.00 H new ATOM 0 HE2 LYS A 158 11.638 8.140 2.890 1.00 0.00 H new ATOM 0 HE3 LYS A 158 12.825 7.766 4.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 158 13.708 7.388 1.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 158 13.618 5.919 2.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 158 12.468 6.281 1.567 1.00 0.00 H new ATOM 1112 N GLY A 159 9.656 3.254 0.012 1.00 0.00 N ATOM 1113 CA GLY A 159 10.460 2.336 -0.773 1.00 0.00 C ATOM 1114 C GLY A 159 10.482 2.707 -2.243 1.00 0.00 C ATOM 1115 O GLY A 159 11.523 2.631 -2.894 1.00 0.00 O ATOM 0 H GLY A 159 8.741 2.897 0.286 1.00 0.00 H new ATOM 0 HA2 GLY A 159 11.479 2.327 -0.387 1.00 0.00 H new ATOM 0 HA3 GLY A 159 10.068 1.325 -0.661 1.00 0.00 H new ATOM 1119 N VAL A 160 9.328 3.112 -2.764 1.00 0.00 N ATOM 1120 CA VAL A 160 9.212 3.501 -4.161 1.00 0.00 C ATOM 1121 C VAL A 160 10.082 4.716 -4.471 1.00 0.00 C ATOM 1122 O VAL A 160 10.455 4.946 -5.621 1.00 0.00 O ATOM 1123 CB VAL A 160 7.751 3.822 -4.527 1.00 0.00 C ATOM 1124 CG1 VAL A 160 7.610 4.036 -6.024 1.00 0.00 C ATOM 1125 CG2 VAL A 160 6.819 2.716 -4.052 1.00 0.00 C ATOM 0 H VAL A 160 8.458 3.179 -2.236 1.00 0.00 H new ATOM 0 HA VAL A 160 9.555 2.655 -4.757 1.00 0.00 H new ATOM 0 HB VAL A 160 7.468 4.745 -4.020 1.00 0.00 H new ATOM 0 HG11 VAL A 160 6.571 4.262 -6.263 1.00 0.00 H new ATOM 0 HG12 VAL A 160 8.242 4.868 -6.334 1.00 0.00 H new ATOM 0 HG13 VAL A 160 7.915 3.132 -6.551 1.00 0.00 H new ATOM 0 HG21 VAL A 160 5.792 2.964 -4.322 1.00 0.00 H new ATOM 0 HG22 VAL A 160 7.101 1.775 -4.524 1.00 0.00 H new ATOM 0 HG23 VAL A 160 6.896 2.616 -2.969 1.00 0.00 H new ATOM 1135 N GLU A 161 10.403 5.492 -3.438 1.00 0.00 N ATOM 1136 CA GLU A 161 11.229 6.683 -3.604 1.00 0.00 C ATOM 1137 C GLU A 161 12.676 6.400 -3.212 1.00 0.00 C ATOM 1138 O GLU A 161 12.917 6.088 -2.026 1.00 0.00 O ATOM 1139 CB GLU A 161 10.672 7.835 -2.762 1.00 0.00 C ATOM 1140 CG GLU A 161 10.278 9.053 -3.581 1.00 0.00 C ATOM 1141 CD GLU A 161 11.285 10.182 -3.471 1.00 0.00 C ATOM 1142 OE1 GLU A 161 12.464 9.898 -3.172 1.00 0.00 O ATOM 1143 OE2 GLU A 161 10.894 11.349 -3.683 1.00 0.00 O ATOM 1144 OXT GLU A 161 13.557 6.493 -4.093 1.00 0.00 O ATOM 0 H GLU A 161 10.104 5.317 -2.479 1.00 0.00 H new ATOM 0 HA GLU A 161 11.208 6.968 -4.656 1.00 0.00 H new ATOM 0 HB2 GLU A 161 9.801 7.482 -2.210 1.00 0.00 H new ATOM 0 HB3 GLU A 161 11.419 8.129 -2.025 1.00 0.00 H new ATOM 0 HG2 GLU A 161 10.174 8.765 -4.627 1.00 0.00 H new ATOM 0 HG3 GLU A 161 9.302 9.408 -3.250 1.00 0.00 H new ATOM 1226 N PHE B 132 7.106 -5.494 -5.772 1.00 0.00 N ATOM 1227 CA PHE B 132 7.242 -5.999 -7.128 1.00 0.00 C ATOM 1228 C PHE B 132 6.426 -5.172 -8.127 1.00 0.00 C ATOM 1229 O PHE B 132 6.891 -4.136 -8.603 1.00 0.00 O ATOM 1230 CB PHE B 132 6.838 -7.478 -7.179 1.00 0.00 C ATOM 1231 CG PHE B 132 5.868 -7.895 -6.102 1.00 0.00 C ATOM 1232 CD1 PHE B 132 6.270 -7.974 -4.776 1.00 0.00 C ATOM 1233 CD2 PHE B 132 4.554 -8.210 -6.415 1.00 0.00 C ATOM 1234 CE1 PHE B 132 5.382 -8.356 -3.788 1.00 0.00 C ATOM 1235 CE2 PHE B 132 3.662 -8.592 -5.431 1.00 0.00 C ATOM 1236 CZ PHE B 132 4.077 -8.665 -4.116 1.00 0.00 C ATOM 0 HA PHE B 132 8.288 -5.909 -7.419 1.00 0.00 H new ATOM 0 HB2 PHE B 132 6.394 -7.688 -8.152 1.00 0.00 H new ATOM 0 HB3 PHE B 132 7.736 -8.091 -7.100 1.00 0.00 H new ATOM 0 HD1 PHE B 132 7.290 -7.734 -4.513 1.00 0.00 H new ATOM 0 HD2 PHE B 132 4.223 -8.156 -7.442 1.00 0.00 H new ATOM 0 HE1 PHE B 132 5.709 -8.413 -2.760 1.00 0.00 H new ATOM 0 HE2 PHE B 132 2.642 -8.833 -5.690 1.00 0.00 H new ATOM 0 HZ PHE B 132 3.382 -8.963 -3.345 1.00 0.00 H new ATOM 1246 N ASP B 133 5.214 -5.626 -8.446 1.00 0.00 N ATOM 1247 CA ASP B 133 4.356 -4.914 -9.388 1.00 0.00 C ATOM 1248 C ASP B 133 3.541 -3.835 -8.680 1.00 0.00 C ATOM 1249 O ASP B 133 2.583 -3.302 -9.238 1.00 0.00 O ATOM 1250 CB ASP B 133 3.419 -5.893 -10.098 1.00 0.00 C ATOM 1251 CG ASP B 133 3.207 -5.535 -11.556 1.00 0.00 C ATOM 1252 OD1 ASP B 133 3.452 -4.366 -11.922 1.00 0.00 O ATOM 1253 OD2 ASP B 133 2.794 -6.423 -12.331 1.00 0.00 O ATOM 0 H ASP B 133 4.807 -6.481 -8.067 1.00 0.00 H new ATOM 0 HA ASP B 133 4.996 -4.432 -10.127 1.00 0.00 H new ATOM 0 HB2 ASP B 133 3.831 -6.900 -10.030 1.00 0.00 H new ATOM 0 HB3 ASP B 133 2.457 -5.907 -9.586 1.00 0.00 H new ATOM 1258 N LEU B 134 3.930 -3.517 -7.449 1.00 0.00 N ATOM 1259 CA LEU B 134 3.243 -2.505 -6.665 1.00 0.00 C ATOM 1260 C LEU B 134 4.075 -1.233 -6.596 1.00 0.00 C ATOM 1261 O LEU B 134 3.586 -0.138 -6.872 1.00 0.00 O ATOM 1262 CB LEU B 134 2.986 -3.027 -5.254 1.00 0.00 C ATOM 1263 CG LEU B 134 2.304 -4.393 -5.183 1.00 0.00 C ATOM 1264 CD1 LEU B 134 3.340 -5.508 -5.210 1.00 0.00 C ATOM 1265 CD2 LEU B 134 1.442 -4.493 -3.935 1.00 0.00 C ATOM 0 H LEU B 134 4.722 -3.950 -6.974 1.00 0.00 H new ATOM 0 HA LEU B 134 2.291 -2.279 -7.146 1.00 0.00 H new ATOM 0 HB2 LEU B 134 3.938 -3.085 -4.726 1.00 0.00 H new ATOM 0 HB3 LEU B 134 2.370 -2.302 -4.722 1.00 0.00 H new ATOM 0 HG LEU B 134 1.659 -4.503 -6.055 1.00 0.00 H new ATOM 0 HD11 LEU B 134 2.837 -6.474 -5.159 1.00 0.00 H new ATOM 0 HD12 LEU B 134 3.916 -5.447 -6.134 1.00 0.00 H new ATOM 0 HD13 LEU B 134 4.010 -5.402 -4.357 1.00 0.00 H new ATOM 0 HD21 LEU B 134 0.964 -5.472 -3.901 1.00 0.00 H new ATOM 0 HD22 LEU B 134 2.066 -4.362 -3.051 1.00 0.00 H new ATOM 0 HD23 LEU B 134 0.677 -3.716 -3.958 1.00 0.00 H new ATOM 1277 N ARG B 135 5.340 -1.393 -6.225 1.00 0.00 N ATOM 1278 CA ARG B 135 6.258 -0.264 -6.113 1.00 0.00 C ATOM 1279 C ARG B 135 6.306 0.533 -7.410 1.00 0.00 C ATOM 1280 O ARG B 135 6.455 1.755 -7.392 1.00 0.00 O ATOM 1281 CB ARG B 135 7.664 -0.754 -5.766 1.00 0.00 C ATOM 1282 CG ARG B 135 8.703 0.355 -5.731 1.00 0.00 C ATOM 1283 CD ARG B 135 10.092 -0.191 -5.443 1.00 0.00 C ATOM 1284 NE ARG B 135 11.141 0.647 -6.020 1.00 0.00 N ATOM 1285 CZ ARG B 135 11.517 0.592 -7.296 1.00 0.00 C ATOM 1286 NH1 ARG B 135 10.931 -0.254 -8.133 1.00 0.00 N ATOM 1287 NH2 ARG B 135 12.483 1.387 -7.736 1.00 0.00 N ATOM 0 H ARG B 135 5.755 -2.296 -5.996 1.00 0.00 H new ATOM 0 HA ARG B 135 5.892 0.384 -5.317 1.00 0.00 H new ATOM 0 HB2 ARG B 135 7.638 -1.247 -4.794 1.00 0.00 H new ATOM 0 HB3 ARG B 135 7.969 -1.504 -6.496 1.00 0.00 H new ATOM 0 HG2 ARG B 135 8.708 0.880 -6.686 1.00 0.00 H new ATOM 0 HG3 ARG B 135 8.432 1.085 -4.968 1.00 0.00 H new ATOM 0 HD2 ARG B 135 10.237 -0.262 -4.365 1.00 0.00 H new ATOM 0 HD3 ARG B 135 10.174 -1.202 -5.843 1.00 0.00 H new ATOM 0 HE ARG B 135 11.613 1.314 -5.409 1.00 0.00 H new ATOM 0 HH11 ARG B 135 10.187 -0.868 -7.800 1.00 0.00 H new ATOM 0 HH12 ARG B 135 11.224 -0.291 -9.109 1.00 0.00 H new ATOM 0 HH21 ARG B 135 12.937 2.040 -7.097 1.00 0.00 H new ATOM 0 HH22 ARG B 135 12.772 1.346 -8.713 1.00 0.00 H new ATOM 1301 N GLY B 136 6.187 -0.164 -8.533 1.00 0.00 N ATOM 1302 CA GLY B 136 6.229 0.506 -9.816 1.00 0.00 C ATOM 1303 C GLY B 136 4.878 1.045 -10.246 1.00 0.00 C ATOM 1304 O GLY B 136 4.686 1.404 -11.408 1.00 0.00 O ATOM 0 H GLY B 136 6.063 -1.175 -8.578 1.00 0.00 H new ATOM 0 HA2 GLY B 136 6.943 1.328 -9.768 1.00 0.00 H new ATOM 0 HA3 GLY B 136 6.594 -0.190 -10.572 1.00 0.00 H new ATOM 1308 N LYS B 137 3.945 1.109 -9.304 1.00 0.00 N ATOM 1309 CA LYS B 137 2.605 1.616 -9.578 1.00 0.00 C ATOM 1310 C LYS B 137 2.130 2.527 -8.447 1.00 0.00 C ATOM 1311 O LYS B 137 0.946 2.847 -8.351 1.00 0.00 O ATOM 1312 CB LYS B 137 1.617 0.460 -9.754 1.00 0.00 C ATOM 1313 CG LYS B 137 2.158 -0.692 -10.586 1.00 0.00 C ATOM 1314 CD LYS B 137 1.925 -0.466 -12.071 1.00 0.00 C ATOM 1315 CE LYS B 137 1.529 -1.754 -12.775 1.00 0.00 C ATOM 1316 NZ LYS B 137 1.492 -1.590 -14.254 1.00 0.00 N ATOM 0 H LYS B 137 4.092 0.815 -8.339 1.00 0.00 H new ATOM 0 HA LYS B 137 2.648 2.192 -10.502 1.00 0.00 H new ATOM 0 HB2 LYS B 137 1.334 0.084 -8.771 1.00 0.00 H new ATOM 0 HB3 LYS B 137 0.709 0.839 -10.223 1.00 0.00 H new ATOM 0 HG2 LYS B 137 3.225 -0.808 -10.398 1.00 0.00 H new ATOM 0 HG3 LYS B 137 1.677 -1.621 -10.279 1.00 0.00 H new ATOM 0 HD2 LYS B 137 1.142 0.280 -12.208 1.00 0.00 H new ATOM 0 HD3 LYS B 137 2.831 -0.065 -12.526 1.00 0.00 H new ATOM 0 HE2 LYS B 137 2.236 -2.542 -12.515 1.00 0.00 H new ATOM 0 HE3 LYS B 137 0.549 -2.075 -12.421 1.00 0.00 H new ATOM 0 HZ1 LYS B 137 1.218 -2.490 -14.696 1.00 0.00 H new ATOM 0 HZ2 LYS B 137 0.799 -0.856 -14.505 1.00 0.00 H new ATOM 0 HZ3 LYS B 137 2.433 -1.309 -14.596 1.00 0.00 H new ATOM 1330 N PHE B 138 3.062 2.940 -7.591 1.00 0.00 N ATOM 1331 CA PHE B 138 2.739 3.810 -6.468 1.00 0.00 C ATOM 1332 C PHE B 138 3.330 5.201 -6.676 1.00 0.00 C ATOM 1333 O PHE B 138 3.678 5.890 -5.717 1.00 0.00 O ATOM 1334 CB PHE B 138 3.267 3.202 -5.166 1.00 0.00 C ATOM 1335 CG PHE B 138 2.231 2.434 -4.396 1.00 0.00 C ATOM 1336 CD1 PHE B 138 1.208 3.094 -3.735 1.00 0.00 C ATOM 1337 CD2 PHE B 138 2.283 1.051 -4.331 1.00 0.00 C ATOM 1338 CE1 PHE B 138 0.256 2.390 -3.024 1.00 0.00 C ATOM 1339 CE2 PHE B 138 1.334 0.341 -3.621 1.00 0.00 C ATOM 1340 CZ PHE B 138 0.319 1.011 -2.966 1.00 0.00 C ATOM 0 H PHE B 138 4.047 2.685 -7.656 1.00 0.00 H new ATOM 0 HA PHE B 138 1.655 3.904 -6.404 1.00 0.00 H new ATOM 0 HB2 PHE B 138 4.101 2.539 -5.397 1.00 0.00 H new ATOM 0 HB3 PHE B 138 3.659 4.000 -4.535 1.00 0.00 H new ATOM 0 HD1 PHE B 138 1.154 4.172 -3.776 1.00 0.00 H new ATOM 0 HD2 PHE B 138 3.074 0.522 -4.841 1.00 0.00 H new ATOM 0 HE1 PHE B 138 -0.537 2.917 -2.514 1.00 0.00 H new ATOM 0 HE2 PHE B 138 1.386 -0.737 -3.578 1.00 0.00 H new ATOM 0 HZ PHE B 138 -0.424 0.458 -2.410 1.00 0.00 H new