USER MOD reduce.3.24.130724 H: found=0, std=0, add=747, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 751 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 4 ASN : amide:sc= -2.42 K(o=-2.4,f=-8.4!) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0722 USER MOD Single : A 10 GLN : amide:sc=-0.00229 X(o=-0.0023,f=0) USER MOD Single : A 13 GLN : amide:sc= -8.92! K(o=-8.9!,f=-4) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 76:sc= 0.854 USER MOD Single : A 24 THR OG1 : rot -88:sc= 1.31 USER MOD Single : A 29 SER OG : rot -121:sc= 0.733 USER MOD Single : A 31 SER OG : rot -141:sc= 0.486 USER MOD Single : A 32 HIS : no HD1:sc= -0.742 K(o=-0.74,f=-0.024) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 16:sc= -6.41! USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.0335 USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.337 USER MOD Single : A 65 THR OG1 : rot 73:sc= -5.24! USER MOD Single : A 67 THR OG1 : rot 171:sc= -0.576 USER MOD Single : A 69 LYS NZ :NH3+ -132:sc= 1.22 (180deg=-0.246) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 73 GLN : amide:sc= -0.0386 X(o=-0.039,f=0) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 76 MET CE :methyl 148:sc= -0.0156 (180deg=-1.13) USER MOD Single : A 77 THR OG1 : rot 180:sc= -0.149! USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 TYR OH : rot -130:sc= -1.42 USER MOD Single : A 92 GLN : amide:sc= -0.0141 X(o=-0.014,f=0) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.108 K(o=-0.11,f=-1.6!) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 CYS SG : rot 180:sc= 0.262 USER MOD ----------------------------------------------------------------- ATOM 49 N ASN A 4 -8.780 7.626 8.102 1.00 0.00 N ATOM 50 CA ASN A 4 -8.333 7.043 6.849 1.00 0.00 C ATOM 51 C ASN A 4 -8.713 5.562 6.816 1.00 0.00 C ATOM 52 O ASN A 4 -9.220 5.026 7.800 1.00 0.00 O ATOM 53 CB ASN A 4 -6.813 7.145 6.704 1.00 0.00 C ATOM 54 CG ASN A 4 -6.389 6.987 5.243 1.00 0.00 C ATOM 55 OD1 ASN A 4 -6.017 5.918 4.789 1.00 0.00 O ATOM 56 ND2 ASN A 4 -6.466 8.110 4.533 1.00 0.00 N ATOM 0 HA ASN A 4 -8.810 7.589 6.035 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -6.472 8.108 7.083 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -6.334 6.376 7.310 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -6.205 8.109 3.547 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -6.786 8.972 4.975 1.00 0.00 H new ATOM 63 N ASP A 5 -8.452 4.942 5.675 1.00 0.00 N ATOM 64 CA ASP A 5 -8.760 3.532 5.501 1.00 0.00 C ATOM 65 C ASP A 5 -7.462 2.756 5.269 1.00 0.00 C ATOM 66 O ASP A 5 -7.313 1.633 5.749 1.00 0.00 O ATOM 67 CB ASP A 5 -9.666 3.312 4.288 1.00 0.00 C ATOM 68 CG ASP A 5 -10.991 4.077 4.323 1.00 0.00 C ATOM 69 OD1 ASP A 5 -11.099 5.138 4.957 1.00 0.00 O ATOM 70 OD2 ASP A 5 -11.951 3.535 3.654 1.00 0.00 O ATOM 0 H ASP A 5 -8.031 5.390 4.861 1.00 0.00 H new ATOM 0 HA ASP A 5 -9.270 3.185 6.400 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -9.121 3.600 3.389 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -9.881 2.247 4.202 1.00 0.00 H new ATOM 76 N ILE A 6 -6.557 3.385 4.534 1.00 0.00 N ATOM 77 CA ILE A 6 -5.277 2.767 4.233 1.00 0.00 C ATOM 78 C ILE A 6 -4.296 3.841 3.761 1.00 0.00 C ATOM 79 O ILE A 6 -4.669 4.743 3.012 1.00 0.00 O ATOM 80 CB ILE A 6 -5.458 1.619 3.237 1.00 0.00 C ATOM 81 CG1 ILE A 6 -4.105 1.045 2.811 1.00 0.00 C ATOM 82 CG2 ILE A 6 -6.297 2.061 2.037 1.00 0.00 C ATOM 83 CD1 ILE A 6 -4.280 -0.289 2.083 1.00 0.00 C ATOM 0 H ILE A 6 -6.685 4.316 4.138 1.00 0.00 H new ATOM 0 HA ILE A 6 -4.851 2.317 5.130 1.00 0.00 H new ATOM 0 HB ILE A 6 -6.005 0.818 3.734 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -3.594 1.754 2.160 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -3.473 0.905 3.688 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -6.410 1.226 1.345 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -7.280 2.384 2.380 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -5.800 2.888 1.530 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -3.303 -0.675 1.791 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -4.770 -1.003 2.745 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -4.892 -0.140 1.193 1.00 0.00 H new ATOM 95 N THR A 7 -3.059 3.710 4.218 1.00 0.00 N ATOM 96 CA THR A 7 -2.021 4.658 3.853 1.00 0.00 C ATOM 97 C THR A 7 -1.043 4.023 2.862 1.00 0.00 C ATOM 98 O THR A 7 -1.068 2.812 2.650 1.00 0.00 O ATOM 99 CB THR A 7 -1.351 5.146 5.139 1.00 0.00 C ATOM 100 OG1 THR A 7 -1.341 3.997 5.982 1.00 0.00 O ATOM 101 CG2 THR A 7 -2.211 6.158 5.899 1.00 0.00 C ATOM 0 H THR A 7 -2.753 2.961 4.838 1.00 0.00 H new ATOM 0 HA THR A 7 -2.440 5.523 3.339 1.00 0.00 H new ATOM 0 HB THR A 7 -0.388 5.596 4.899 1.00 0.00 H new ATOM 0 HG1 THR A 7 -0.922 4.223 6.838 1.00 0.00 H new ATOM 0 HG21 THR A 7 -1.690 6.472 6.803 1.00 0.00 H new ATOM 0 HG22 THR A 7 -2.396 7.026 5.266 1.00 0.00 H new ATOM 0 HG23 THR A 7 -3.161 5.698 6.170 1.00 0.00 H new ATOM 109 N PHE A 8 -0.205 4.870 2.281 1.00 0.00 N ATOM 110 CA PHE A 8 0.779 4.406 1.318 1.00 0.00 C ATOM 111 C PHE A 8 1.981 5.351 1.265 1.00 0.00 C ATOM 112 O PHE A 8 1.845 6.514 0.887 1.00 0.00 O ATOM 113 CB PHE A 8 0.094 4.394 -0.050 1.00 0.00 C ATOM 114 CG PHE A 8 -1.217 3.605 -0.083 1.00 0.00 C ATOM 115 CD1 PHE A 8 -1.193 2.251 -0.213 1.00 0.00 C ATOM 116 CD2 PHE A 8 -2.406 4.258 0.018 1.00 0.00 C ATOM 117 CE1 PHE A 8 -2.409 1.520 -0.243 1.00 0.00 C ATOM 118 CE2 PHE A 8 -3.622 3.526 -0.012 1.00 0.00 C ATOM 119 CZ PHE A 8 -3.598 2.172 -0.142 1.00 0.00 C ATOM 0 H PHE A 8 -0.188 5.874 2.459 1.00 0.00 H new ATOM 0 HA PHE A 8 1.140 3.417 1.601 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -0.105 5.422 -0.354 1.00 0.00 H new ATOM 0 HB3 PHE A 8 0.779 3.971 -0.784 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -0.249 1.733 -0.293 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -2.425 5.333 0.121 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -2.390 0.445 -0.346 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -4.566 4.044 0.068 1.00 0.00 H new ATOM 0 HZ PHE A 8 -4.523 1.615 -0.165 1.00 0.00 H new ATOM 129 N PHE A 9 3.131 4.817 1.649 1.00 0.00 N ATOM 130 CA PHE A 9 4.356 5.598 1.650 1.00 0.00 C ATOM 131 C PHE A 9 4.464 6.449 0.384 1.00 0.00 C ATOM 132 O PHE A 9 3.789 6.181 -0.609 1.00 0.00 O ATOM 133 CB PHE A 9 5.519 4.604 1.683 1.00 0.00 C ATOM 134 CG PHE A 9 6.887 5.255 1.903 1.00 0.00 C ATOM 135 CD1 PHE A 9 7.003 6.331 2.727 1.00 0.00 C ATOM 136 CD2 PHE A 9 7.986 4.757 1.276 1.00 0.00 C ATOM 137 CE1 PHE A 9 8.272 6.934 2.932 1.00 0.00 C ATOM 138 CE2 PHE A 9 9.255 5.361 1.481 1.00 0.00 C ATOM 139 CZ PHE A 9 9.371 6.437 2.304 1.00 0.00 C ATOM 0 H PHE A 9 3.240 3.852 1.962 1.00 0.00 H new ATOM 0 HA PHE A 9 4.369 6.269 2.509 1.00 0.00 H new ATOM 0 HB2 PHE A 9 5.341 3.878 2.477 1.00 0.00 H new ATOM 0 HB3 PHE A 9 5.538 4.051 0.744 1.00 0.00 H new ATOM 0 HD1 PHE A 9 6.130 6.727 3.225 1.00 0.00 H new ATOM 0 HD2 PHE A 9 7.894 3.902 0.622 1.00 0.00 H new ATOM 0 HE1 PHE A 9 8.364 7.788 3.587 1.00 0.00 H new ATOM 0 HE2 PHE A 9 10.128 4.966 0.983 1.00 0.00 H new ATOM 0 HZ PHE A 9 10.336 6.897 2.459 1.00 0.00 H new ATOM 149 N GLN A 10 5.318 7.459 0.459 1.00 0.00 N ATOM 150 CA GLN A 10 5.523 8.352 -0.669 1.00 0.00 C ATOM 151 C GLN A 10 5.830 7.548 -1.933 1.00 0.00 C ATOM 152 O GLN A 10 5.164 7.713 -2.955 1.00 0.00 O ATOM 153 CB GLN A 10 6.638 9.359 -0.375 1.00 0.00 C ATOM 154 CG GLN A 10 6.719 10.421 -1.473 1.00 0.00 C ATOM 155 CD GLN A 10 8.157 10.586 -1.971 1.00 0.00 C ATOM 156 OE1 GLN A 10 9.019 11.118 -1.291 1.00 0.00 O ATOM 157 NE2 GLN A 10 8.365 10.102 -3.192 1.00 0.00 N ATOM 0 H GLN A 10 5.876 7.679 1.284 1.00 0.00 H new ATOM 0 HA GLN A 10 4.604 8.915 -0.834 1.00 0.00 H new ATOM 0 HB2 GLN A 10 6.456 9.838 0.587 1.00 0.00 H new ATOM 0 HB3 GLN A 10 7.592 8.838 -0.296 1.00 0.00 H new ATOM 0 HG2 GLN A 10 6.072 10.140 -2.304 1.00 0.00 H new ATOM 0 HG3 GLN A 10 6.351 11.373 -1.091 1.00 0.00 H new ATOM 0 HE21 GLN A 10 7.598 9.669 -3.706 1.00 0.00 H new ATOM 0 HE22 GLN A 10 9.291 10.164 -3.614 1.00 0.00 H new ATOM 166 N ARG A 11 6.838 6.695 -1.824 1.00 0.00 N ATOM 167 CA ARG A 11 7.241 5.865 -2.946 1.00 0.00 C ATOM 168 C ARG A 11 6.024 5.157 -3.547 1.00 0.00 C ATOM 169 O ARG A 11 5.810 5.203 -4.758 1.00 0.00 O ATOM 170 CB ARG A 11 8.269 4.817 -2.515 1.00 0.00 C ATOM 171 CG ARG A 11 9.527 5.483 -1.954 1.00 0.00 C ATOM 172 CD ARG A 11 10.788 4.743 -2.407 1.00 0.00 C ATOM 173 NE ARG A 11 11.714 5.683 -3.075 1.00 0.00 N ATOM 174 CZ ARG A 11 11.591 6.084 -4.359 1.00 0.00 C ATOM 175 NH1 ARG A 11 10.577 5.628 -5.124 1.00 0.00 N ATOM 176 NH2 ARG A 11 12.477 6.928 -4.853 1.00 0.00 N ATOM 0 H ARG A 11 7.388 6.561 -0.975 1.00 0.00 H new ATOM 0 HA ARG A 11 7.694 6.516 -3.694 1.00 0.00 H new ATOM 0 HB2 ARG A 11 7.832 4.162 -1.761 1.00 0.00 H new ATOM 0 HB3 ARG A 11 8.534 4.190 -3.366 1.00 0.00 H new ATOM 0 HG2 ARG A 11 9.572 6.521 -2.284 1.00 0.00 H new ATOM 0 HG3 ARG A 11 9.481 5.497 -0.865 1.00 0.00 H new ATOM 0 HD2 ARG A 11 11.279 4.285 -1.548 1.00 0.00 H new ATOM 0 HD3 ARG A 11 10.521 3.936 -3.090 1.00 0.00 H new ATOM 0 HE ARG A 11 12.495 6.052 -2.532 1.00 0.00 H new ATOM 0 HH11 ARG A 11 9.897 4.976 -4.733 1.00 0.00 H new ATOM 0 HH12 ARG A 11 10.491 5.935 -6.093 1.00 0.00 H new ATOM 0 HH21 ARG A 11 13.240 7.267 -4.267 1.00 0.00 H new ATOM 0 HH22 ARG A 11 12.399 7.241 -5.821 1.00 0.00 H new ATOM 189 N PHE A 12 5.259 4.520 -2.673 1.00 0.00 N ATOM 190 CA PHE A 12 4.069 3.804 -3.102 1.00 0.00 C ATOM 191 C PHE A 12 3.014 4.770 -3.645 1.00 0.00 C ATOM 192 O PHE A 12 2.226 4.408 -4.517 1.00 0.00 O ATOM 193 CB PHE A 12 3.506 3.093 -1.870 1.00 0.00 C ATOM 194 CG PHE A 12 2.979 1.684 -2.151 1.00 0.00 C ATOM 195 CD1 PHE A 12 2.276 1.436 -3.289 1.00 0.00 C ATOM 196 CD2 PHE A 12 3.214 0.681 -1.264 1.00 0.00 C ATOM 197 CE1 PHE A 12 1.787 0.129 -3.549 1.00 0.00 C ATOM 198 CE2 PHE A 12 2.725 -0.627 -1.525 1.00 0.00 C ATOM 199 CZ PHE A 12 2.022 -0.875 -2.662 1.00 0.00 C ATOM 0 H PHE A 12 5.440 4.485 -1.670 1.00 0.00 H new ATOM 0 HA PHE A 12 4.323 3.102 -3.896 1.00 0.00 H new ATOM 0 HB2 PHE A 12 4.285 3.034 -1.110 1.00 0.00 H new ATOM 0 HB3 PHE A 12 2.699 3.695 -1.453 1.00 0.00 H new ATOM 0 HD1 PHE A 12 2.090 2.233 -3.994 1.00 0.00 H new ATOM 0 HD2 PHE A 12 3.772 0.879 -0.361 1.00 0.00 H new ATOM 0 HE1 PHE A 12 1.228 -0.068 -4.452 1.00 0.00 H new ATOM 0 HE2 PHE A 12 2.912 -1.424 -0.821 1.00 0.00 H new ATOM 0 HZ PHE A 12 1.650 -1.869 -2.861 1.00 0.00 H new ATOM 209 N GLN A 13 3.034 5.981 -3.107 1.00 0.00 N ATOM 210 CA GLN A 13 2.089 7.001 -3.527 1.00 0.00 C ATOM 211 C GLN A 13 2.350 7.402 -4.980 1.00 0.00 C ATOM 212 O GLN A 13 1.424 7.464 -5.788 1.00 0.00 O ATOM 213 CB GLN A 13 2.150 8.219 -2.603 1.00 0.00 C ATOM 214 CG GLN A 13 1.017 8.186 -1.576 1.00 0.00 C ATOM 215 CD GLN A 13 0.084 9.387 -1.751 1.00 0.00 C ATOM 216 OE1 GLN A 13 -0.279 9.768 -2.851 1.00 0.00 O ATOM 217 NE2 GLN A 13 -0.282 9.958 -0.607 1.00 0.00 N ATOM 0 H GLN A 13 3.690 6.278 -2.384 1.00 0.00 H new ATOM 0 HA GLN A 13 1.084 6.585 -3.461 1.00 0.00 H new ATOM 0 HB2 GLN A 13 3.111 8.242 -2.089 1.00 0.00 H new ATOM 0 HB3 GLN A 13 2.083 9.132 -3.194 1.00 0.00 H new ATOM 0 HG2 GLN A 13 0.450 7.261 -1.684 1.00 0.00 H new ATOM 0 HG3 GLN A 13 1.434 8.188 -0.569 1.00 0.00 H new ATOM 0 HE21 GLN A 13 0.059 9.588 0.280 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -0.904 10.766 -0.617 1.00 0.00 H new ATOM 226 N ASP A 14 3.617 7.664 -5.269 1.00 0.00 N ATOM 227 CA ASP A 14 4.012 8.057 -6.611 1.00 0.00 C ATOM 228 C ASP A 14 3.693 6.922 -7.585 1.00 0.00 C ATOM 229 O ASP A 14 3.137 7.156 -8.657 1.00 0.00 O ATOM 230 CB ASP A 14 5.515 8.334 -6.684 1.00 0.00 C ATOM 231 CG ASP A 14 6.072 8.516 -8.097 1.00 0.00 C ATOM 232 OD1 ASP A 14 5.979 9.604 -8.685 1.00 0.00 O ATOM 233 OD2 ASP A 14 6.627 7.468 -8.603 1.00 0.00 O ATOM 0 H ASP A 14 4.382 7.612 -4.597 1.00 0.00 H new ATOM 0 HA ASP A 14 3.465 8.963 -6.871 1.00 0.00 H new ATOM 0 HB2 ASP A 14 5.732 9.232 -6.106 1.00 0.00 H new ATOM 0 HB3 ASP A 14 6.044 7.511 -6.204 1.00 0.00 H new ATOM 239 N ASP A 15 4.058 5.715 -7.178 1.00 0.00 N ATOM 240 CA ASP A 15 3.818 4.542 -8.002 1.00 0.00 C ATOM 241 C ASP A 15 2.332 4.473 -8.361 1.00 0.00 C ATOM 242 O ASP A 15 1.979 4.191 -9.505 1.00 0.00 O ATOM 243 CB ASP A 15 4.184 3.259 -7.253 1.00 0.00 C ATOM 244 CG ASP A 15 3.581 1.978 -7.832 1.00 0.00 C ATOM 245 OD1 ASP A 15 3.773 1.660 -9.015 1.00 0.00 O ATOM 246 OD2 ASP A 15 2.877 1.284 -7.004 1.00 0.00 O ATOM 0 H ASP A 15 4.518 5.524 -6.288 1.00 0.00 H new ATOM 0 HA ASP A 15 4.435 4.625 -8.897 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.269 3.159 -7.243 1.00 0.00 H new ATOM 0 HB3 ASP A 15 3.863 3.357 -6.216 1.00 0.00 H new ATOM 252 N ILE A 16 1.502 4.734 -7.362 1.00 0.00 N ATOM 253 CA ILE A 16 0.063 4.704 -7.558 1.00 0.00 C ATOM 254 C ILE A 16 -0.349 5.870 -8.459 1.00 0.00 C ATOM 255 O ILE A 16 -1.191 5.710 -9.342 1.00 0.00 O ATOM 256 CB ILE A 16 -0.662 4.683 -6.210 1.00 0.00 C ATOM 257 CG1 ILE A 16 -0.303 3.425 -5.415 1.00 0.00 C ATOM 258 CG2 ILE A 16 -2.173 4.831 -6.398 1.00 0.00 C ATOM 259 CD1 ILE A 16 -0.545 3.636 -3.919 1.00 0.00 C ATOM 0 H ILE A 16 1.799 4.967 -6.414 1.00 0.00 H new ATOM 0 HA ILE A 16 -0.233 3.787 -8.067 1.00 0.00 H new ATOM 0 HB ILE A 16 -0.325 5.540 -5.627 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.899 2.584 -5.769 1.00 0.00 H new ATOM 0 HG13 ILE A 16 0.743 3.168 -5.586 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.664 4.813 -5.425 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.387 5.777 -6.895 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.546 4.008 -7.008 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -0.282 2.728 -3.376 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.071 4.462 -3.564 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -1.596 3.869 -3.750 1.00 0.00 H new ATOM 271 N LEU A 17 0.263 7.017 -8.205 1.00 0.00 N ATOM 272 CA LEU A 17 -0.029 8.210 -8.982 1.00 0.00 C ATOM 273 C LEU A 17 0.296 7.947 -10.454 1.00 0.00 C ATOM 274 O LEU A 17 -0.265 8.588 -11.341 1.00 0.00 O ATOM 275 CB LEU A 17 0.700 9.422 -8.398 1.00 0.00 C ATOM 276 CG LEU A 17 1.754 10.069 -9.299 1.00 0.00 C ATOM 277 CD1 LEU A 17 1.116 11.092 -10.241 1.00 0.00 C ATOM 278 CD2 LEU A 17 2.884 10.680 -8.469 1.00 0.00 C ATOM 0 H LEU A 17 0.960 7.146 -7.472 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.091 8.450 -8.927 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.042 10.178 -8.140 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.182 9.118 -7.469 1.00 0.00 H new ATOM 0 HG LEU A 17 2.196 9.291 -9.921 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.887 11.537 -10.870 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.376 10.596 -10.869 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.630 11.872 -9.655 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.620 11.133 -9.134 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.477 11.442 -7.805 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.362 9.900 -7.876 1.00 0.00 H new ATOM 290 N ALA A 18 1.201 7.003 -10.667 1.00 0.00 N ATOM 291 CA ALA A 18 1.607 6.647 -12.016 1.00 0.00 C ATOM 292 C ALA A 18 0.501 5.822 -12.677 1.00 0.00 C ATOM 293 O ALA A 18 0.601 5.471 -13.851 1.00 0.00 O ATOM 294 CB ALA A 18 2.942 5.900 -11.967 1.00 0.00 C ATOM 0 H ALA A 18 1.664 6.474 -9.928 1.00 0.00 H new ATOM 0 HA ALA A 18 1.756 7.542 -12.620 1.00 0.00 H new ATOM 0 HB1 ALA A 18 3.247 5.633 -12.979 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.701 6.540 -11.517 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.831 4.994 -11.371 1.00 0.00 H new ATOM 300 N GLY A 19 -0.528 5.536 -11.893 1.00 0.00 N ATOM 301 CA GLY A 19 -1.652 4.759 -12.387 1.00 0.00 C ATOM 302 C GLY A 19 -1.216 3.341 -12.762 1.00 0.00 C ATOM 303 O GLY A 19 -1.075 3.023 -13.942 1.00 0.00 O ATOM 0 H GLY A 19 -0.607 5.828 -10.919 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -2.431 4.714 -11.625 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -2.085 5.252 -13.257 1.00 0.00 H new ATOM 307 N ARG A 20 -1.014 2.528 -11.736 1.00 0.00 N ATOM 308 CA ARG A 20 -0.596 1.152 -11.942 1.00 0.00 C ATOM 309 C ARG A 20 -1.288 0.230 -10.936 1.00 0.00 C ATOM 310 O ARG A 20 -0.810 0.058 -9.816 1.00 0.00 O ATOM 311 CB ARG A 20 0.920 1.008 -11.796 1.00 0.00 C ATOM 312 CG ARG A 20 1.629 1.311 -13.118 1.00 0.00 C ATOM 313 CD ARG A 20 3.041 1.846 -12.872 1.00 0.00 C ATOM 314 NE ARG A 20 3.575 2.454 -14.111 1.00 0.00 N ATOM 315 CZ ARG A 20 4.822 2.958 -14.231 1.00 0.00 C ATOM 316 NH1 ARG A 20 5.675 2.932 -13.185 1.00 0.00 N ATOM 317 NH2 ARG A 20 5.194 3.478 -15.386 1.00 0.00 N ATOM 0 H ARG A 20 -1.132 2.796 -10.759 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.880 0.868 -12.955 1.00 0.00 H new ATOM 0 HB2 ARG A 20 1.280 1.686 -11.022 1.00 0.00 H new ATOM 0 HB3 ARG A 20 1.163 -0.004 -11.472 1.00 0.00 H new ATOM 0 HG2 ARG A 20 1.679 0.406 -13.724 1.00 0.00 H new ATOM 0 HG3 ARG A 20 1.053 2.042 -13.685 1.00 0.00 H new ATOM 0 HD2 ARG A 20 3.024 2.586 -12.072 1.00 0.00 H new ATOM 0 HD3 ARG A 20 3.693 1.037 -12.544 1.00 0.00 H new ATOM 0 HE ARG A 20 2.963 2.495 -14.926 1.00 0.00 H new ATOM 0 HH11 ARG A 20 5.379 2.530 -12.296 1.00 0.00 H new ATOM 0 HH12 ARG A 20 6.615 3.315 -13.284 1.00 0.00 H new ATOM 0 HH21 ARG A 20 4.543 3.495 -16.171 1.00 0.00 H new ATOM 0 HH22 ARG A 20 6.132 3.863 -15.493 1.00 0.00 H new ATOM 330 N LYS A 21 -2.403 -0.338 -11.371 1.00 0.00 N ATOM 331 CA LYS A 21 -3.165 -1.237 -10.522 1.00 0.00 C ATOM 332 C LYS A 21 -2.201 -2.105 -9.710 1.00 0.00 C ATOM 333 O LYS A 21 -1.642 -3.070 -10.228 1.00 0.00 O ATOM 334 CB LYS A 21 -4.164 -2.043 -11.355 1.00 0.00 C ATOM 335 CG LYS A 21 -3.489 -2.646 -12.588 1.00 0.00 C ATOM 336 CD LYS A 21 -3.943 -1.935 -13.865 1.00 0.00 C ATOM 337 CE LYS A 21 -2.802 -1.850 -14.880 1.00 0.00 C ATOM 338 NZ LYS A 21 -3.265 -2.284 -16.217 1.00 0.00 N ATOM 0 H LYS A 21 -2.797 -0.193 -12.301 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.763 -0.671 -9.808 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -4.593 -2.838 -10.745 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -4.987 -1.399 -11.665 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -2.406 -2.567 -12.489 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -3.727 -3.708 -12.654 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -4.785 -2.470 -14.303 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -4.294 -0.932 -13.622 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -2.429 -0.827 -14.932 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.971 -2.476 -14.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -2.478 -2.220 -16.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -3.599 -3.267 -16.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.043 -1.670 -16.531 1.00 0.00 H new ATOM 351 N THR A 22 -2.037 -1.730 -8.450 1.00 0.00 N ATOM 352 CA THR A 22 -1.150 -2.462 -7.561 1.00 0.00 C ATOM 353 C THR A 22 -1.932 -3.025 -6.373 1.00 0.00 C ATOM 354 O THR A 22 -3.019 -2.543 -6.055 1.00 0.00 O ATOM 355 CB THR A 22 -0.013 -1.524 -7.151 1.00 0.00 C ATOM 356 OG1 THR A 22 0.879 -1.553 -8.262 1.00 0.00 O ATOM 357 CG2 THR A 22 0.817 -2.082 -5.993 1.00 0.00 C ATOM 0 H THR A 22 -2.503 -0.929 -8.023 1.00 0.00 H new ATOM 0 HA THR A 22 -0.713 -3.326 -8.061 1.00 0.00 H new ATOM 0 HB THR A 22 -0.426 -0.555 -6.869 1.00 0.00 H new ATOM 0 HG1 THR A 22 0.508 -1.016 -8.993 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.610 -1.378 -5.741 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.176 -2.231 -5.125 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.257 -3.035 -6.287 1.00 0.00 H new ATOM 365 N ILE A 23 -1.349 -4.037 -5.747 1.00 0.00 N ATOM 366 CA ILE A 23 -1.977 -4.671 -4.601 1.00 0.00 C ATOM 367 C ILE A 23 -1.400 -4.076 -3.315 1.00 0.00 C ATOM 368 O ILE A 23 -0.268 -3.594 -3.303 1.00 0.00 O ATOM 369 CB ILE A 23 -1.842 -6.192 -4.689 1.00 0.00 C ATOM 370 CG1 ILE A 23 -1.206 -6.610 -6.016 1.00 0.00 C ATOM 371 CG2 ILE A 23 -3.192 -6.876 -4.460 1.00 0.00 C ATOM 372 CD1 ILE A 23 0.321 -6.574 -5.927 1.00 0.00 C ATOM 0 H ILE A 23 -0.448 -4.434 -6.012 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.048 -4.469 -4.594 1.00 0.00 H new ATOM 0 HB ILE A 23 -1.174 -6.522 -3.894 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -1.535 -7.615 -6.280 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -1.543 -5.945 -6.811 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -3.068 -7.957 -4.528 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.569 -6.615 -3.471 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.901 -6.544 -5.218 1.00 0.00 H new ATOM 0 HD11 ILE A 23 0.748 -6.875 -6.883 1.00 0.00 H new ATOM 0 HD12 ILE A 23 0.648 -5.562 -5.686 1.00 0.00 H new ATOM 0 HD13 ILE A 23 0.656 -7.259 -5.148 1.00 0.00 H new ATOM 384 N THR A 24 -2.204 -4.129 -2.263 1.00 0.00 N ATOM 385 CA THR A 24 -1.787 -3.601 -0.975 1.00 0.00 C ATOM 386 C THR A 24 -1.786 -4.709 0.080 1.00 0.00 C ATOM 387 O THR A 24 -2.219 -5.829 -0.190 1.00 0.00 O ATOM 388 CB THR A 24 -2.707 -2.430 -0.624 1.00 0.00 C ATOM 389 OG1 THR A 24 -3.911 -3.052 -0.186 1.00 0.00 O ATOM 390 CG2 THR A 24 -3.129 -1.627 -1.857 1.00 0.00 C ATOM 0 H THR A 24 -3.142 -4.529 -2.276 1.00 0.00 H new ATOM 0 HA THR A 24 -0.763 -3.229 -1.013 1.00 0.00 H new ATOM 0 HB THR A 24 -2.202 -1.772 0.083 1.00 0.00 H new ATOM 0 HG1 THR A 24 -4.495 -3.212 -0.956 1.00 0.00 H new ATOM 0 HG21 THR A 24 -3.781 -0.808 -1.552 1.00 0.00 H new ATOM 0 HG22 THR A 24 -2.244 -1.223 -2.348 1.00 0.00 H new ATOM 0 HG23 THR A 24 -3.663 -2.277 -2.550 1.00 0.00 H new ATOM 398 N ILE A 25 -1.294 -4.359 1.259 1.00 0.00 N ATOM 399 CA ILE A 25 -1.230 -5.310 2.356 1.00 0.00 C ATOM 400 C ILE A 25 -1.787 -4.659 3.623 1.00 0.00 C ATOM 401 O ILE A 25 -1.514 -3.491 3.896 1.00 0.00 O ATOM 402 CB ILE A 25 0.193 -5.849 2.516 1.00 0.00 C ATOM 403 CG1 ILE A 25 0.705 -6.445 1.202 1.00 0.00 C ATOM 404 CG2 ILE A 25 0.273 -6.851 3.669 1.00 0.00 C ATOM 405 CD1 ILE A 25 1.491 -5.407 0.400 1.00 0.00 C ATOM 0 H ILE A 25 -0.936 -3.430 1.479 1.00 0.00 H new ATOM 0 HA ILE A 25 -1.853 -6.179 2.143 1.00 0.00 H new ATOM 0 HB ILE A 25 0.848 -5.015 2.768 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.341 -7.305 1.412 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -0.136 -6.807 0.610 1.00 0.00 H new ATOM 0 HG21 ILE A 25 1.295 -7.219 3.761 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -0.022 -6.362 4.597 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -0.397 -7.688 3.471 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.844 -5.856 -0.529 1.00 0.00 H new ATOM 0 HD12 ILE A 25 0.846 -4.559 0.171 1.00 0.00 H new ATOM 0 HD13 ILE A 25 2.345 -5.065 0.985 1.00 0.00 H new ATOM 417 N ARG A 26 -2.557 -5.442 4.363 1.00 0.00 N ATOM 418 CA ARG A 26 -3.155 -4.956 5.595 1.00 0.00 C ATOM 419 C ARG A 26 -3.099 -6.038 6.675 1.00 0.00 C ATOM 420 O ARG A 26 -2.730 -7.179 6.398 1.00 0.00 O ATOM 421 CB ARG A 26 -4.611 -4.540 5.374 1.00 0.00 C ATOM 422 CG ARG A 26 -4.923 -4.410 3.882 1.00 0.00 C ATOM 423 CD ARG A 26 -4.278 -3.154 3.294 1.00 0.00 C ATOM 424 NE ARG A 26 -3.668 -2.346 4.373 1.00 0.00 N ATOM 425 CZ ARG A 26 -4.328 -1.402 5.078 1.00 0.00 C ATOM 426 NH1 ARG A 26 -5.628 -1.140 4.823 1.00 0.00 N ATOM 427 NH2 ARG A 26 -3.684 -0.740 6.020 1.00 0.00 N ATOM 0 H ARG A 26 -2.781 -6.410 4.133 1.00 0.00 H new ATOM 0 HA ARG A 26 -2.586 -4.085 5.919 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -5.276 -5.276 5.826 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -4.801 -3.590 5.873 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -4.560 -5.291 3.353 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -6.002 -4.372 3.735 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -3.518 -3.433 2.564 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -5.027 -2.564 2.766 1.00 0.00 H new ATOM 0 HE ARG A 26 -2.687 -2.512 4.599 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -6.119 -1.657 4.093 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -6.119 -0.425 5.360 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -2.702 -0.944 6.207 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -4.168 -0.024 6.562 1.00 0.00 H new ATOM 440 N ASP A 27 -3.472 -5.643 7.884 1.00 0.00 N ATOM 441 CA ASP A 27 -3.469 -6.565 9.007 1.00 0.00 C ATOM 442 C ASP A 27 -4.892 -7.071 9.249 1.00 0.00 C ATOM 443 O ASP A 27 -5.830 -6.280 9.334 1.00 0.00 O ATOM 444 CB ASP A 27 -2.989 -5.875 10.285 1.00 0.00 C ATOM 445 CG ASP A 27 -3.255 -6.650 11.577 1.00 0.00 C ATOM 446 OD1 ASP A 27 -3.744 -7.789 11.550 1.00 0.00 O ATOM 447 OD2 ASP A 27 -2.935 -6.028 12.661 1.00 0.00 O ATOM 0 H ASP A 27 -3.778 -4.697 8.110 1.00 0.00 H new ATOM 0 HA ASP A 27 -2.795 -7.387 8.766 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -1.917 -5.694 10.202 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -3.472 -4.901 10.357 1.00 0.00 H new ATOM 453 N GLU A 28 -5.009 -8.387 9.353 1.00 0.00 N ATOM 454 CA GLU A 28 -6.302 -9.008 9.584 1.00 0.00 C ATOM 455 C GLU A 28 -7.030 -8.307 10.733 1.00 0.00 C ATOM 456 O GLU A 28 -8.222 -8.023 10.635 1.00 0.00 O ATOM 457 CB GLU A 28 -6.149 -10.505 9.863 1.00 0.00 C ATOM 458 CG GLU A 28 -7.398 -11.065 10.547 1.00 0.00 C ATOM 459 CD GLU A 28 -8.618 -10.964 9.629 1.00 0.00 C ATOM 460 OE1 GLU A 28 -9.333 -11.958 9.436 1.00 0.00 O ATOM 461 OE2 GLU A 28 -8.813 -9.800 9.107 1.00 0.00 O ATOM 0 H GLU A 28 -4.229 -9.040 9.281 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.902 -8.900 8.680 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.973 -11.037 8.928 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.277 -10.674 10.495 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.230 -12.106 10.822 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.587 -10.518 11.471 1.00 0.00 H new ATOM 469 N SER A 29 -6.281 -8.049 11.795 1.00 0.00 N ATOM 470 CA SER A 29 -6.841 -7.387 12.962 1.00 0.00 C ATOM 471 C SER A 29 -7.466 -6.052 12.556 1.00 0.00 C ATOM 472 O SER A 29 -8.307 -5.512 13.273 1.00 0.00 O ATOM 473 CB SER A 29 -5.773 -7.169 14.036 1.00 0.00 C ATOM 474 OG SER A 29 -5.032 -5.971 13.816 1.00 0.00 O ATOM 0 H SER A 29 -5.292 -8.286 11.872 1.00 0.00 H new ATOM 0 HA SER A 29 -7.615 -8.030 13.382 1.00 0.00 H new ATOM 0 HB2 SER A 29 -6.248 -7.127 15.016 1.00 0.00 H new ATOM 0 HB3 SER A 29 -5.092 -8.020 14.048 1.00 0.00 H new ATOM 0 HG SER A 29 -4.082 -6.188 13.713 1.00 0.00 H new ATOM 480 N GLU A 30 -7.033 -5.557 11.405 1.00 0.00 N ATOM 481 CA GLU A 30 -7.540 -4.295 10.895 1.00 0.00 C ATOM 482 C GLU A 30 -7.975 -4.448 9.436 1.00 0.00 C ATOM 483 O GLU A 30 -8.080 -3.462 8.709 1.00 0.00 O ATOM 484 CB GLU A 30 -6.497 -3.185 11.042 1.00 0.00 C ATOM 485 CG GLU A 30 -6.512 -2.601 12.456 1.00 0.00 C ATOM 486 CD GLU A 30 -5.518 -1.445 12.583 1.00 0.00 C ATOM 487 OE1 GLU A 30 -5.926 -0.300 12.823 1.00 0.00 O ATOM 488 OE2 GLU A 30 -4.280 -1.772 12.424 1.00 0.00 O ATOM 0 H GLU A 30 -6.337 -6.008 10.812 1.00 0.00 H new ATOM 0 HA GLU A 30 -8.411 -4.011 11.486 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.506 -3.581 10.819 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -6.696 -2.396 10.317 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -7.515 -2.251 12.698 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -6.264 -3.380 13.177 1.00 0.00 H new ATOM 496 N SER A 31 -8.217 -5.693 9.052 1.00 0.00 N ATOM 497 CA SER A 31 -8.639 -5.989 7.694 1.00 0.00 C ATOM 498 C SER A 31 -10.121 -6.368 7.677 1.00 0.00 C ATOM 499 O SER A 31 -10.483 -7.487 8.035 1.00 0.00 O ATOM 500 CB SER A 31 -7.797 -7.113 7.088 1.00 0.00 C ATOM 501 OG SER A 31 -7.587 -6.929 5.690 1.00 0.00 O ATOM 0 H SER A 31 -8.129 -6.508 9.658 1.00 0.00 H new ATOM 0 HA SER A 31 -8.492 -5.095 7.088 1.00 0.00 H new ATOM 0 HB2 SER A 31 -6.834 -7.159 7.596 1.00 0.00 H new ATOM 0 HB3 SER A 31 -8.293 -8.069 7.257 1.00 0.00 H new ATOM 0 HG SER A 31 -7.637 -7.795 5.235 1.00 0.00 H new ATOM 507 N HIS A 32 -10.938 -5.413 7.257 1.00 0.00 N ATOM 508 CA HIS A 32 -12.373 -5.633 7.188 1.00 0.00 C ATOM 509 C HIS A 32 -12.991 -4.675 6.167 1.00 0.00 C ATOM 510 O HIS A 32 -12.975 -3.461 6.361 1.00 0.00 O ATOM 511 CB HIS A 32 -13.008 -5.511 8.575 1.00 0.00 C ATOM 512 CG HIS A 32 -12.553 -4.301 9.355 1.00 0.00 C ATOM 513 ND1 HIS A 32 -13.394 -3.243 9.654 1.00 0.00 N ATOM 514 CD2 HIS A 32 -11.339 -3.992 9.894 1.00 0.00 C ATOM 515 CE1 HIS A 32 -12.706 -2.343 10.341 1.00 0.00 C ATOM 516 NE2 HIS A 32 -11.432 -2.809 10.488 1.00 0.00 N ATOM 0 H HIS A 32 -10.634 -4.485 6.961 1.00 0.00 H new ATOM 0 HA HIS A 32 -12.573 -6.649 6.848 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -14.092 -5.473 8.465 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -12.777 -6.408 9.149 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -10.452 -4.606 9.846 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -13.087 -1.405 10.718 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -10.676 -2.327 10.974 1.00 0.00 H new ATOM 524 N PHE A 33 -13.521 -5.259 5.102 1.00 0.00 N ATOM 525 CA PHE A 33 -14.143 -4.473 4.050 1.00 0.00 C ATOM 526 C PHE A 33 -14.687 -5.374 2.941 1.00 0.00 C ATOM 527 O PHE A 33 -14.903 -6.566 3.154 1.00 0.00 O ATOM 528 CB PHE A 33 -13.057 -3.566 3.468 1.00 0.00 C ATOM 529 CG PHE A 33 -13.567 -2.197 3.013 1.00 0.00 C ATOM 530 CD1 PHE A 33 -14.482 -1.528 3.764 1.00 0.00 C ATOM 531 CD2 PHE A 33 -13.106 -1.650 1.856 1.00 0.00 C ATOM 532 CE1 PHE A 33 -14.955 -0.258 3.342 1.00 0.00 C ATOM 533 CE2 PHE A 33 -13.580 -0.380 1.433 1.00 0.00 C ATOM 534 CZ PHE A 33 -14.495 0.290 2.185 1.00 0.00 C ATOM 0 H PHE A 33 -13.532 -6.267 4.945 1.00 0.00 H new ATOM 0 HA PHE A 33 -14.976 -3.900 4.457 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -12.279 -3.422 4.217 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -12.593 -4.070 2.620 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -14.849 -1.963 4.682 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -12.380 -2.182 1.259 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -15.681 0.274 3.940 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -13.214 0.054 0.514 1.00 0.00 H new ATOM 0 HZ PHE A 33 -14.856 1.256 1.864 1.00 0.00 H new ATOM 544 N LYS A 34 -14.892 -4.771 1.779 1.00 0.00 N ATOM 545 CA LYS A 34 -15.407 -5.505 0.635 1.00 0.00 C ATOM 546 C LYS A 34 -14.860 -4.883 -0.652 1.00 0.00 C ATOM 547 O LYS A 34 -14.458 -3.721 -0.662 1.00 0.00 O ATOM 548 CB LYS A 34 -16.934 -5.572 0.685 1.00 0.00 C ATOM 549 CG LYS A 34 -17.408 -6.407 1.876 1.00 0.00 C ATOM 550 CD LYS A 34 -16.996 -7.872 1.717 1.00 0.00 C ATOM 551 CE LYS A 34 -17.659 -8.746 2.784 1.00 0.00 C ATOM 552 NZ LYS A 34 -17.963 -10.088 2.238 1.00 0.00 N ATOM 0 H LYS A 34 -14.711 -3.782 1.605 1.00 0.00 H new ATOM 0 HA LYS A 34 -15.065 -6.540 0.660 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -17.344 -4.564 0.757 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -17.313 -6.005 -0.241 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -16.987 -6.005 2.797 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -18.492 -6.338 1.965 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -17.276 -8.227 0.725 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -15.912 -7.959 1.792 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -17.000 -8.839 3.648 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -18.577 -8.272 3.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -18.413 -10.669 2.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -18.609 -9.995 1.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -17.082 -10.544 1.927 1.00 0.00 H new ATOM 565 N THR A 35 -14.862 -5.686 -1.706 1.00 0.00 N ATOM 566 CA THR A 35 -14.372 -5.229 -2.995 1.00 0.00 C ATOM 567 C THR A 35 -15.395 -4.305 -3.658 1.00 0.00 C ATOM 568 O THR A 35 -16.582 -4.361 -3.344 1.00 0.00 O ATOM 569 CB THR A 35 -14.032 -6.462 -3.835 1.00 0.00 C ATOM 570 OG1 THR A 35 -13.205 -7.248 -2.981 1.00 0.00 O ATOM 571 CG2 THR A 35 -13.129 -6.130 -5.025 1.00 0.00 C ATOM 0 H THR A 35 -15.195 -6.650 -1.693 1.00 0.00 H new ATOM 0 HA THR A 35 -13.466 -4.632 -2.885 1.00 0.00 H new ATOM 0 HB THR A 35 -14.953 -6.920 -4.195 1.00 0.00 H new ATOM 0 HG1 THR A 35 -12.940 -8.068 -3.447 1.00 0.00 H new ATOM 0 HG21 THR A 35 -12.919 -7.040 -5.587 1.00 0.00 H new ATOM 0 HG22 THR A 35 -13.630 -5.411 -5.673 1.00 0.00 H new ATOM 0 HG23 THR A 35 -12.194 -5.702 -4.664 1.00 0.00 H new ATOM 579 N GLY A 36 -14.896 -3.476 -4.563 1.00 0.00 N ATOM 580 CA GLY A 36 -15.751 -2.541 -5.274 1.00 0.00 C ATOM 581 C GLY A 36 -15.976 -1.270 -4.451 1.00 0.00 C ATOM 582 O GLY A 36 -16.450 -0.263 -4.975 1.00 0.00 O ATOM 0 H GLY A 36 -13.910 -3.432 -4.820 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -15.298 -2.283 -6.231 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -16.709 -3.012 -5.492 1.00 0.00 H new ATOM 586 N ASP A 37 -15.626 -1.359 -3.177 1.00 0.00 N ATOM 587 CA ASP A 37 -15.784 -0.229 -2.277 1.00 0.00 C ATOM 588 C ASP A 37 -14.681 0.795 -2.552 1.00 0.00 C ATOM 589 O ASP A 37 -13.908 0.641 -3.497 1.00 0.00 O ATOM 590 CB ASP A 37 -15.667 -0.668 -0.816 1.00 0.00 C ATOM 591 CG ASP A 37 -17.001 -0.895 -0.100 1.00 0.00 C ATOM 592 OD1 ASP A 37 -17.897 -0.038 -0.133 1.00 0.00 O ATOM 593 OD2 ASP A 37 -17.102 -2.022 0.519 1.00 0.00 O ATOM 0 H ASP A 37 -15.233 -2.196 -2.746 1.00 0.00 H new ATOM 0 HA ASP A 37 -16.771 0.201 -2.447 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -15.088 -1.591 -0.775 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -15.102 0.087 -0.269 1.00 0.00 H new ATOM 599 N VAL A 38 -14.642 1.816 -1.709 1.00 0.00 N ATOM 600 CA VAL A 38 -13.646 2.865 -1.850 1.00 0.00 C ATOM 601 C VAL A 38 -12.566 2.683 -0.782 1.00 0.00 C ATOM 602 O VAL A 38 -12.851 2.219 0.321 1.00 0.00 O ATOM 603 CB VAL A 38 -14.319 4.237 -1.792 1.00 0.00 C ATOM 604 CG1 VAL A 38 -13.522 5.203 -0.913 1.00 0.00 C ATOM 605 CG2 VAL A 38 -14.517 4.811 -3.197 1.00 0.00 C ATOM 0 H VAL A 38 -15.284 1.939 -0.926 1.00 0.00 H new ATOM 0 HA VAL A 38 -13.157 2.799 -2.822 1.00 0.00 H new ATOM 0 HB VAL A 38 -15.303 4.108 -1.341 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -14.023 6.171 -0.889 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -13.456 4.804 0.099 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -12.519 5.324 -1.322 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -14.997 5.787 -3.127 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -13.549 4.917 -3.686 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -15.146 4.138 -3.780 1.00 0.00 H new ATOM 615 N LEU A 39 -11.349 3.060 -1.146 1.00 0.00 N ATOM 616 CA LEU A 39 -10.225 2.944 -0.232 1.00 0.00 C ATOM 617 C LEU A 39 -9.529 4.302 -0.113 1.00 0.00 C ATOM 618 O LEU A 39 -8.983 4.811 -1.090 1.00 0.00 O ATOM 619 CB LEU A 39 -9.293 1.812 -0.669 1.00 0.00 C ATOM 620 CG LEU A 39 -9.620 0.423 -0.116 1.00 0.00 C ATOM 621 CD1 LEU A 39 -8.864 -0.664 -0.882 1.00 0.00 C ATOM 622 CD2 LEU A 39 -9.354 0.355 1.389 1.00 0.00 C ATOM 0 H LEU A 39 -11.117 3.446 -2.061 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.571 2.673 0.765 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -9.303 1.760 -1.758 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.276 2.070 -0.372 1.00 0.00 H new ATOM 0 HG LEU A 39 -10.684 0.239 -0.263 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -9.114 -1.641 -0.469 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -9.147 -0.631 -1.934 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -7.791 -0.495 -0.790 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -9.595 -0.643 1.756 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -8.303 0.569 1.583 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -9.975 1.090 1.902 1.00 0.00 H new ATOM 634 N ARG A 40 -9.571 4.848 1.093 1.00 0.00 N ATOM 635 CA ARG A 40 -8.951 6.136 1.353 1.00 0.00 C ATOM 636 C ARG A 40 -7.427 6.012 1.305 1.00 0.00 C ATOM 637 O ARG A 40 -6.832 5.313 2.124 1.00 0.00 O ATOM 638 CB ARG A 40 -9.368 6.682 2.721 1.00 0.00 C ATOM 639 CG ARG A 40 -10.068 8.036 2.580 1.00 0.00 C ATOM 640 CD ARG A 40 -9.273 9.139 3.282 1.00 0.00 C ATOM 641 NE ARG A 40 -9.873 10.460 2.988 1.00 0.00 N ATOM 642 CZ ARG A 40 -11.063 10.875 3.471 1.00 0.00 C ATOM 643 NH1 ARG A 40 -11.792 10.076 4.277 1.00 0.00 N ATOM 644 NH2 ARG A 40 -11.503 12.076 3.143 1.00 0.00 N ATOM 0 H ARG A 40 -10.025 4.422 1.901 1.00 0.00 H new ATOM 0 HA ARG A 40 -9.287 6.827 0.580 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -10.035 5.973 3.212 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -8.490 6.787 3.358 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -10.184 8.282 1.524 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -11.070 7.978 3.005 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -9.266 8.965 4.358 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -8.235 9.119 2.949 1.00 0.00 H new ATOM 0 HE ARG A 40 -9.355 11.096 2.382 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -11.445 9.150 4.526 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -12.690 10.398 4.637 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -10.946 12.674 2.533 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -12.400 12.405 3.499 1.00 0.00 H new ATOM 657 N VAL A 41 -6.840 6.699 0.337 1.00 0.00 N ATOM 658 CA VAL A 41 -5.396 6.674 0.171 1.00 0.00 C ATOM 659 C VAL A 41 -4.808 8.000 0.657 1.00 0.00 C ATOM 660 O VAL A 41 -5.306 9.070 0.309 1.00 0.00 O ATOM 661 CB VAL A 41 -5.042 6.362 -1.285 1.00 0.00 C ATOM 662 CG1 VAL A 41 -6.000 5.323 -1.871 1.00 0.00 C ATOM 663 CG2 VAL A 41 -5.030 7.636 -2.132 1.00 0.00 C ATOM 0 H VAL A 41 -7.337 7.277 -0.341 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.956 5.881 0.776 1.00 0.00 H new ATOM 0 HB VAL A 41 -4.037 5.939 -1.302 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -5.727 5.119 -2.906 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -5.937 4.402 -1.291 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -7.020 5.706 -1.834 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.776 7.386 -3.162 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -6.016 8.101 -2.104 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.290 8.331 -1.734 1.00 0.00 H new ATOM 673 N GLY A 42 -3.757 7.887 1.455 1.00 0.00 N ATOM 674 CA GLY A 42 -3.095 9.064 1.993 1.00 0.00 C ATOM 675 C GLY A 42 -1.578 8.964 1.826 1.00 0.00 C ATOM 676 O GLY A 42 -1.091 8.218 0.978 1.00 0.00 O ATOM 0 H GLY A 42 -3.347 6.998 1.742 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -3.462 9.956 1.486 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -3.342 9.174 3.049 1.00 0.00 H new ATOM 680 N ARG A 43 -0.872 9.728 2.648 1.00 0.00 N ATOM 681 CA ARG A 43 0.580 9.735 2.601 1.00 0.00 C ATOM 682 C ARG A 43 1.156 9.729 4.019 1.00 0.00 C ATOM 683 O ARG A 43 0.592 10.341 4.925 1.00 0.00 O ATOM 684 CB ARG A 43 1.101 10.963 1.852 1.00 0.00 C ATOM 685 CG ARG A 43 2.394 10.640 1.101 1.00 0.00 C ATOM 686 CD ARG A 43 2.322 11.125 -0.349 1.00 0.00 C ATOM 687 NE ARG A 43 3.404 12.099 -0.611 1.00 0.00 N ATOM 688 CZ ARG A 43 3.497 12.843 -1.733 1.00 0.00 C ATOM 689 NH1 ARG A 43 2.571 12.731 -2.709 1.00 0.00 N ATOM 690 NH2 ARG A 43 4.507 13.683 -1.862 1.00 0.00 N ATOM 0 H ARG A 43 -1.279 10.346 3.350 1.00 0.00 H new ATOM 0 HA ARG A 43 0.899 8.838 2.071 1.00 0.00 H new ATOM 0 HB2 ARG A 43 0.345 11.312 1.148 1.00 0.00 H new ATOM 0 HB3 ARG A 43 1.279 11.775 2.557 1.00 0.00 H new ATOM 0 HG2 ARG A 43 3.238 11.111 1.604 1.00 0.00 H new ATOM 0 HG3 ARG A 43 2.571 9.565 1.120 1.00 0.00 H new ATOM 0 HD2 ARG A 43 2.411 10.278 -1.029 1.00 0.00 H new ATOM 0 HD3 ARG A 43 1.353 11.586 -0.539 1.00 0.00 H new ATOM 0 HE ARG A 43 4.125 12.216 0.101 1.00 0.00 H new ATOM 0 HH11 ARG A 43 1.793 12.080 -2.602 1.00 0.00 H new ATOM 0 HH12 ARG A 43 2.649 13.297 -3.554 1.00 0.00 H new ATOM 0 HH21 ARG A 43 5.202 13.762 -1.120 1.00 0.00 H new ATOM 0 HH22 ARG A 43 4.592 14.253 -2.704 1.00 0.00 H new ATOM 813 N CYS A 51 -6.076 10.943 -1.633 1.00 0.00 N ATOM 814 CA CYS A 51 -7.273 10.911 -2.457 1.00 0.00 C ATOM 815 C CYS A 51 -8.050 9.636 -2.125 1.00 0.00 C ATOM 816 O CYS A 51 -7.737 8.948 -1.154 1.00 0.00 O ATOM 817 CB CYS A 51 -6.938 11.004 -3.946 1.00 0.00 C ATOM 818 SG CYS A 51 -6.246 12.654 -4.330 1.00 0.00 S ATOM 0 HA CYS A 51 -7.892 11.781 -2.237 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -6.221 10.228 -4.215 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -7.835 10.829 -4.541 1.00 0.00 H new ATOM 0 HG CYS A 51 -5.963 12.722 -5.597 1.00 0.00 H new ATOM 824 N THR A 52 -9.049 9.358 -2.950 1.00 0.00 N ATOM 825 CA THR A 52 -9.873 8.177 -2.756 1.00 0.00 C ATOM 826 C THR A 52 -9.769 7.249 -3.969 1.00 0.00 C ATOM 827 O THR A 52 -9.710 7.713 -5.107 1.00 0.00 O ATOM 828 CB THR A 52 -11.302 8.640 -2.467 1.00 0.00 C ATOM 829 OG1 THR A 52 -11.133 9.853 -1.738 1.00 0.00 O ATOM 830 CG2 THR A 52 -12.031 7.716 -1.489 1.00 0.00 C ATOM 0 H THR A 52 -9.306 9.930 -3.754 1.00 0.00 H new ATOM 0 HA THR A 52 -9.528 7.589 -1.905 1.00 0.00 H new ATOM 0 HB THR A 52 -11.862 8.694 -3.401 1.00 0.00 H new ATOM 0 HG1 THR A 52 -12.011 10.223 -1.511 1.00 0.00 H new ATOM 0 HG21 THR A 52 -13.040 8.090 -1.319 1.00 0.00 H new ATOM 0 HG22 THR A 52 -12.082 6.711 -1.908 1.00 0.00 H new ATOM 0 HG23 THR A 52 -11.490 7.688 -0.543 1.00 0.00 H new ATOM 838 N ILE A 53 -9.750 5.956 -3.684 1.00 0.00 N ATOM 839 CA ILE A 53 -9.654 4.959 -4.737 1.00 0.00 C ATOM 840 C ILE A 53 -10.701 3.869 -4.498 1.00 0.00 C ATOM 841 O ILE A 53 -11.354 3.848 -3.456 1.00 0.00 O ATOM 842 CB ILE A 53 -8.224 4.426 -4.841 1.00 0.00 C ATOM 843 CG1 ILE A 53 -7.947 3.382 -3.757 1.00 0.00 C ATOM 844 CG2 ILE A 53 -7.208 5.570 -4.807 1.00 0.00 C ATOM 845 CD1 ILE A 53 -8.537 2.023 -4.141 1.00 0.00 C ATOM 0 H ILE A 53 -9.799 5.575 -2.739 1.00 0.00 H new ATOM 0 HA ILE A 53 -9.874 5.406 -5.706 1.00 0.00 H new ATOM 0 HB ILE A 53 -8.116 3.927 -5.804 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -6.872 3.286 -3.606 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -8.374 3.713 -2.810 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -6.200 5.163 -4.882 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -7.391 6.244 -5.644 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -7.309 6.118 -3.870 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -8.326 1.299 -3.354 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -9.615 2.117 -4.268 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -8.090 1.683 -5.075 1.00 0.00 H new ATOM 857 N GLU A 54 -10.827 2.989 -5.480 1.00 0.00 N ATOM 858 CA GLU A 54 -11.783 1.898 -5.390 1.00 0.00 C ATOM 859 C GLU A 54 -11.058 0.552 -5.432 1.00 0.00 C ATOM 860 O GLU A 54 -10.039 0.412 -6.108 1.00 0.00 O ATOM 861 CB GLU A 54 -12.829 1.993 -6.502 1.00 0.00 C ATOM 862 CG GLU A 54 -14.245 1.872 -5.935 1.00 0.00 C ATOM 863 CD GLU A 54 -15.289 2.287 -6.974 1.00 0.00 C ATOM 864 OE1 GLU A 54 -15.065 2.114 -8.181 1.00 0.00 O ATOM 865 OE2 GLU A 54 -16.365 2.806 -6.487 1.00 0.00 O ATOM 0 H GLU A 54 -10.283 3.009 -6.343 1.00 0.00 H new ATOM 0 HA GLU A 54 -12.306 1.977 -4.437 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -12.723 2.943 -7.025 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -12.658 1.204 -7.235 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -14.428 0.845 -5.621 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -14.340 2.499 -5.048 1.00 0.00 H new ATOM 873 N VAL A 55 -11.610 -0.405 -4.702 1.00 0.00 N ATOM 874 CA VAL A 55 -11.029 -1.736 -4.648 1.00 0.00 C ATOM 875 C VAL A 55 -11.316 -2.467 -5.961 1.00 0.00 C ATOM 876 O VAL A 55 -12.252 -2.118 -6.678 1.00 0.00 O ATOM 877 CB VAL A 55 -11.551 -2.485 -3.420 1.00 0.00 C ATOM 878 CG1 VAL A 55 -10.462 -3.376 -2.818 1.00 0.00 C ATOM 879 CG2 VAL A 55 -12.102 -1.511 -2.376 1.00 0.00 C ATOM 0 H VAL A 55 -12.454 -0.286 -4.142 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.946 -1.676 -4.540 1.00 0.00 H new ATOM 0 HB VAL A 55 -12.370 -3.128 -3.743 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -10.859 -3.897 -1.947 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -10.137 -4.105 -3.560 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -9.614 -2.761 -2.518 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -12.466 -2.070 -1.514 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -11.311 -0.831 -2.060 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -12.922 -0.938 -2.810 1.00 0.00 H new ATOM 889 N THR A 56 -10.493 -3.469 -6.235 1.00 0.00 N ATOM 890 CA THR A 56 -10.647 -4.252 -7.449 1.00 0.00 C ATOM 891 C THR A 56 -10.656 -5.747 -7.122 1.00 0.00 C ATOM 892 O THR A 56 -11.447 -6.504 -7.681 1.00 0.00 O ATOM 893 CB THR A 56 -9.532 -3.849 -8.416 1.00 0.00 C ATOM 894 OG1 THR A 56 -9.977 -4.333 -9.680 1.00 0.00 O ATOM 895 CG2 THR A 56 -8.231 -4.613 -8.162 1.00 0.00 C ATOM 0 H THR A 56 -9.718 -3.756 -5.637 1.00 0.00 H new ATOM 0 HA THR A 56 -11.604 -4.051 -7.931 1.00 0.00 H new ATOM 0 HB THR A 56 -9.347 -2.778 -8.329 1.00 0.00 H new ATOM 0 HG1 THR A 56 -9.313 -4.113 -10.367 1.00 0.00 H new ATOM 0 HG21 THR A 56 -7.473 -4.289 -8.875 1.00 0.00 H new ATOM 0 HG22 THR A 56 -7.884 -4.413 -7.148 1.00 0.00 H new ATOM 0 HG23 THR A 56 -8.408 -5.682 -8.281 1.00 0.00 H new ATOM 903 N ALA A 57 -9.766 -6.127 -6.216 1.00 0.00 N ATOM 904 CA ALA A 57 -9.662 -7.517 -5.808 1.00 0.00 C ATOM 905 C ALA A 57 -8.956 -7.595 -4.452 1.00 0.00 C ATOM 906 O ALA A 57 -8.410 -6.601 -3.976 1.00 0.00 O ATOM 907 CB ALA A 57 -8.932 -8.314 -6.891 1.00 0.00 C ATOM 0 H ALA A 57 -9.111 -5.496 -5.754 1.00 0.00 H new ATOM 0 HA ALA A 57 -10.652 -7.957 -5.690 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -8.854 -9.357 -6.585 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -9.488 -8.251 -7.826 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -7.933 -7.902 -7.035 1.00 0.00 H new ATOM 913 N THR A 58 -8.992 -8.784 -3.870 1.00 0.00 N ATOM 914 CA THR A 58 -8.362 -9.004 -2.579 1.00 0.00 C ATOM 915 C THR A 58 -7.754 -10.406 -2.514 1.00 0.00 C ATOM 916 O THR A 58 -8.241 -11.329 -3.166 1.00 0.00 O ATOM 917 CB THR A 58 -9.409 -8.744 -1.493 1.00 0.00 C ATOM 918 OG1 THR A 58 -9.434 -7.325 -1.368 1.00 0.00 O ATOM 919 CG2 THR A 58 -8.956 -9.231 -0.115 1.00 0.00 C ATOM 0 H THR A 58 -9.447 -9.605 -4.268 1.00 0.00 H new ATOM 0 HA THR A 58 -7.531 -8.317 -2.422 1.00 0.00 H new ATOM 0 HB THR A 58 -10.343 -9.237 -1.764 1.00 0.00 H new ATOM 0 HG1 THR A 58 -9.002 -6.920 -2.149 1.00 0.00 H new ATOM 0 HG21 THR A 58 -9.735 -9.023 0.619 1.00 0.00 H new ATOM 0 HG22 THR A 58 -8.770 -10.304 -0.152 1.00 0.00 H new ATOM 0 HG23 THR A 58 -8.040 -8.713 0.171 1.00 0.00 H new ATOM 927 N SER A 59 -6.699 -10.523 -1.720 1.00 0.00 N ATOM 928 CA SER A 59 -6.020 -11.797 -1.562 1.00 0.00 C ATOM 929 C SER A 59 -5.274 -11.829 -0.226 1.00 0.00 C ATOM 930 O SER A 59 -5.154 -10.807 0.447 1.00 0.00 O ATOM 931 CB SER A 59 -5.050 -12.052 -2.717 1.00 0.00 C ATOM 932 OG SER A 59 -4.814 -10.875 -3.486 1.00 0.00 O ATOM 0 H SER A 59 -6.299 -9.756 -1.180 1.00 0.00 H new ATOM 0 HA SER A 59 -6.770 -12.588 -1.572 1.00 0.00 H new ATOM 0 HB2 SER A 59 -4.104 -12.422 -2.321 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.452 -12.832 -3.363 1.00 0.00 H new ATOM 0 HG SER A 59 -4.188 -11.079 -4.212 1.00 0.00 H new ATOM 938 N THR A 60 -4.792 -13.015 0.117 1.00 0.00 N ATOM 939 CA THR A 60 -4.061 -13.194 1.360 1.00 0.00 C ATOM 940 C THR A 60 -2.613 -13.597 1.075 1.00 0.00 C ATOM 941 O THR A 60 -2.350 -14.724 0.657 1.00 0.00 O ATOM 942 CB THR A 60 -4.819 -14.214 2.212 1.00 0.00 C ATOM 943 OG1 THR A 60 -5.546 -14.988 1.261 1.00 0.00 O ATOM 944 CG2 THR A 60 -5.905 -13.566 3.074 1.00 0.00 C ATOM 0 H THR A 60 -4.893 -13.861 -0.444 1.00 0.00 H new ATOM 0 HA THR A 60 -4.001 -12.261 1.921 1.00 0.00 H new ATOM 0 HB THR A 60 -4.116 -14.745 2.854 1.00 0.00 H new ATOM 0 HG1 THR A 60 -6.065 -15.676 1.727 1.00 0.00 H new ATOM 0 HG21 THR A 60 -6.412 -14.334 3.658 1.00 0.00 H new ATOM 0 HG22 THR A 60 -5.450 -12.839 3.747 1.00 0.00 H new ATOM 0 HG23 THR A 60 -6.628 -13.063 2.431 1.00 0.00 H new ATOM 952 N VAL A 61 -1.712 -12.655 1.311 1.00 0.00 N ATOM 953 CA VAL A 61 -0.298 -12.898 1.084 1.00 0.00 C ATOM 954 C VAL A 61 0.525 -11.945 1.953 1.00 0.00 C ATOM 955 O VAL A 61 -0.022 -11.029 2.566 1.00 0.00 O ATOM 956 CB VAL A 61 0.022 -12.775 -0.407 1.00 0.00 C ATOM 957 CG1 VAL A 61 0.999 -13.866 -0.851 1.00 0.00 C ATOM 958 CG2 VAL A 61 -1.257 -12.809 -1.247 1.00 0.00 C ATOM 0 H VAL A 61 -1.934 -11.722 1.657 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.034 -13.914 1.376 1.00 0.00 H new ATOM 0 HB VAL A 61 0.503 -11.810 -0.567 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.209 -13.755 -1.915 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.927 -13.775 -0.286 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.558 -14.846 -0.669 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.001 -12.720 -2.303 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.778 -13.751 -1.078 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.904 -11.980 -0.959 1.00 0.00 H new ATOM 968 N THR A 62 1.827 -12.192 1.978 1.00 0.00 N ATOM 969 CA THR A 62 2.730 -11.367 2.761 1.00 0.00 C ATOM 970 C THR A 62 2.863 -9.978 2.133 1.00 0.00 C ATOM 971 O THR A 62 1.966 -9.524 1.425 1.00 0.00 O ATOM 972 CB THR A 62 4.063 -12.109 2.883 1.00 0.00 C ATOM 973 OG1 THR A 62 3.690 -13.482 2.956 1.00 0.00 O ATOM 974 CG2 THR A 62 4.762 -11.841 4.217 1.00 0.00 C ATOM 0 H THR A 62 2.277 -12.952 1.468 1.00 0.00 H new ATOM 0 HA THR A 62 2.342 -11.199 3.766 1.00 0.00 H new ATOM 0 HB THR A 62 4.719 -11.814 2.064 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.495 -14.036 3.035 1.00 0.00 H new ATOM 0 HG21 THR A 62 5.702 -12.391 4.252 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.962 -10.774 4.315 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.121 -12.167 5.036 1.00 0.00 H new ATOM 982 N LEU A 63 3.991 -9.341 2.416 1.00 0.00 N ATOM 983 CA LEU A 63 4.253 -8.013 1.888 1.00 0.00 C ATOM 984 C LEU A 63 5.166 -8.126 0.666 1.00 0.00 C ATOM 985 O LEU A 63 4.719 -7.950 -0.466 1.00 0.00 O ATOM 986 CB LEU A 63 4.803 -7.100 2.985 1.00 0.00 C ATOM 987 CG LEU A 63 5.902 -7.697 3.867 1.00 0.00 C ATOM 988 CD1 LEU A 63 7.214 -6.927 3.704 1.00 0.00 C ATOM 989 CD2 LEU A 63 5.455 -7.766 5.329 1.00 0.00 C ATOM 0 H LEU A 63 4.733 -9.720 3.004 1.00 0.00 H new ATOM 0 HA LEU A 63 3.327 -7.547 1.552 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.192 -6.196 2.516 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.975 -6.796 3.626 1.00 0.00 H new ATOM 0 HG LEU A 63 6.086 -8.720 3.538 1.00 0.00 H new ATOM 0 HD11 LEU A 63 7.978 -7.371 4.341 1.00 0.00 H new ATOM 0 HD12 LEU A 63 7.537 -6.974 2.664 1.00 0.00 H new ATOM 0 HD13 LEU A 63 7.063 -5.886 3.990 1.00 0.00 H new ATOM 0 HD21 LEU A 63 6.254 -8.194 5.934 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.226 -6.762 5.687 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.566 -8.391 5.408 1.00 0.00 H new ATOM 1001 N ASP A 64 6.430 -8.419 0.937 1.00 0.00 N ATOM 1002 CA ASP A 64 7.410 -8.557 -0.127 1.00 0.00 C ATOM 1003 C ASP A 64 6.908 -9.580 -1.148 1.00 0.00 C ATOM 1004 O ASP A 64 7.459 -9.692 -2.242 1.00 0.00 O ATOM 1005 CB ASP A 64 8.750 -9.055 0.420 1.00 0.00 C ATOM 1006 CG ASP A 64 9.986 -8.426 -0.226 1.00 0.00 C ATOM 1007 OD1 ASP A 64 9.894 -7.768 -1.273 1.00 0.00 O ATOM 1008 OD2 ASP A 64 11.095 -8.638 0.398 1.00 0.00 O ATOM 0 H ASP A 64 6.798 -8.564 1.877 1.00 0.00 H new ATOM 0 HA ASP A 64 7.548 -7.578 -0.587 1.00 0.00 H new ATOM 0 HB2 ASP A 64 8.782 -8.863 1.492 1.00 0.00 H new ATOM 0 HB3 ASP A 64 8.800 -10.136 0.288 1.00 0.00 H new ATOM 1014 N THR A 65 5.867 -10.299 -0.755 1.00 0.00 N ATOM 1015 CA THR A 65 5.283 -11.308 -1.622 1.00 0.00 C ATOM 1016 C THR A 65 4.588 -10.648 -2.815 1.00 0.00 C ATOM 1017 O THR A 65 4.122 -11.335 -3.724 1.00 0.00 O ATOM 1018 CB THR A 65 4.348 -12.175 -0.777 1.00 0.00 C ATOM 1019 OG1 THR A 65 3.777 -11.261 0.155 1.00 0.00 O ATOM 1020 CG2 THR A 65 5.107 -13.174 0.098 1.00 0.00 C ATOM 0 H THR A 65 5.413 -10.203 0.153 1.00 0.00 H new ATOM 0 HA THR A 65 6.050 -11.954 -2.049 1.00 0.00 H new ATOM 0 HB THR A 65 3.662 -12.714 -1.431 1.00 0.00 H new ATOM 0 HG1 THR A 65 3.130 -10.686 -0.305 1.00 0.00 H new ATOM 0 HG21 THR A 65 4.396 -13.764 0.677 1.00 0.00 H new ATOM 0 HG22 THR A 65 5.698 -13.836 -0.535 1.00 0.00 H new ATOM 0 HG23 THR A 65 5.768 -12.635 0.776 1.00 0.00 H new ATOM 1028 N LEU A 66 4.541 -9.325 -2.774 1.00 0.00 N ATOM 1029 CA LEU A 66 3.911 -8.565 -3.840 1.00 0.00 C ATOM 1030 C LEU A 66 4.144 -7.072 -3.603 1.00 0.00 C ATOM 1031 O LEU A 66 4.376 -6.319 -4.547 1.00 0.00 O ATOM 1032 CB LEU A 66 2.434 -8.945 -3.968 1.00 0.00 C ATOM 1033 CG LEU A 66 1.656 -9.064 -2.656 1.00 0.00 C ATOM 1034 CD1 LEU A 66 0.856 -7.791 -2.375 1.00 0.00 C ATOM 1035 CD2 LEU A 66 0.770 -10.311 -2.655 1.00 0.00 C ATOM 0 H LEU A 66 4.929 -8.760 -2.019 1.00 0.00 H new ATOM 0 HA LEU A 66 4.364 -8.809 -4.801 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.941 -8.201 -4.594 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.369 -9.898 -4.494 1.00 0.00 H new ATOM 0 HG LEU A 66 2.373 -9.179 -1.843 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.312 -7.902 -1.437 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.536 -6.943 -2.302 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.148 -7.620 -3.186 1.00 0.00 H new ATOM 0 HD21 LEU A 66 0.228 -10.372 -1.711 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.059 -10.253 -3.479 1.00 0.00 H new ATOM 0 HD23 LEU A 66 1.391 -11.199 -2.774 1.00 0.00 H new ATOM 1047 N THR A 67 4.073 -6.688 -2.337 1.00 0.00 N ATOM 1048 CA THR A 67 4.273 -5.299 -1.964 1.00 0.00 C ATOM 1049 C THR A 67 5.443 -4.699 -2.746 1.00 0.00 C ATOM 1050 O THR A 67 6.309 -5.427 -3.229 1.00 0.00 O ATOM 1051 CB THR A 67 4.463 -5.239 -0.447 1.00 0.00 C ATOM 1052 OG1 THR A 67 4.043 -3.923 -0.096 1.00 0.00 O ATOM 1053 CG2 THR A 67 5.937 -5.281 -0.039 1.00 0.00 C ATOM 0 H THR A 67 3.880 -7.315 -1.556 1.00 0.00 H new ATOM 0 HA THR A 67 3.405 -4.692 -2.222 1.00 0.00 H new ATOM 0 HB THR A 67 3.934 -6.071 0.018 1.00 0.00 H new ATOM 0 HG1 THR A 67 3.994 -3.844 0.880 1.00 0.00 H new ATOM 0 HG21 THR A 67 6.015 -5.236 1.047 1.00 0.00 H new ATOM 0 HG22 THR A 67 6.387 -6.207 -0.397 1.00 0.00 H new ATOM 0 HG23 THR A 67 6.460 -4.430 -0.476 1.00 0.00 H new ATOM 1061 N GLU A 68 5.432 -3.378 -2.847 1.00 0.00 N ATOM 1062 CA GLU A 68 6.481 -2.673 -3.563 1.00 0.00 C ATOM 1063 C GLU A 68 7.857 -3.110 -3.054 1.00 0.00 C ATOM 1064 O GLU A 68 8.855 -2.972 -3.758 1.00 0.00 O ATOM 1065 CB GLU A 68 6.307 -1.158 -3.439 1.00 0.00 C ATOM 1066 CG GLU A 68 5.550 -0.594 -4.644 1.00 0.00 C ATOM 1067 CD GLU A 68 6.485 0.210 -5.550 1.00 0.00 C ATOM 1068 OE1 GLU A 68 7.578 0.605 -5.119 1.00 0.00 O ATOM 1069 OE2 GLU A 68 6.040 0.420 -6.743 1.00 0.00 O ATOM 0 H GLU A 68 4.713 -2.777 -2.445 1.00 0.00 H new ATOM 0 HA GLU A 68 6.408 -2.929 -4.620 1.00 0.00 H new ATOM 0 HB2 GLU A 68 5.765 -0.924 -2.522 1.00 0.00 H new ATOM 0 HB3 GLU A 68 7.284 -0.681 -3.363 1.00 0.00 H new ATOM 0 HG2 GLU A 68 5.101 -1.410 -5.211 1.00 0.00 H new ATOM 0 HG3 GLU A 68 4.734 0.042 -4.301 1.00 0.00 H new ATOM 1077 N LYS A 69 7.864 -3.627 -1.834 1.00 0.00 N ATOM 1078 CA LYS A 69 9.100 -4.085 -1.222 1.00 0.00 C ATOM 1079 C LYS A 69 9.888 -4.916 -2.236 1.00 0.00 C ATOM 1080 O LYS A 69 11.099 -4.749 -2.375 1.00 0.00 O ATOM 1081 CB LYS A 69 8.809 -4.823 0.086 1.00 0.00 C ATOM 1082 CG LYS A 69 10.106 -5.159 0.825 1.00 0.00 C ATOM 1083 CD LYS A 69 9.832 -6.062 2.030 1.00 0.00 C ATOM 1084 CE LYS A 69 11.045 -6.117 2.961 1.00 0.00 C ATOM 1085 NZ LYS A 69 12.048 -7.077 2.447 1.00 0.00 N ATOM 0 H LYS A 69 7.033 -3.739 -1.253 1.00 0.00 H new ATOM 0 HA LYS A 69 9.727 -3.237 -0.949 1.00 0.00 H new ATOM 0 HB2 LYS A 69 8.173 -4.207 0.722 1.00 0.00 H new ATOM 0 HB3 LYS A 69 8.258 -5.740 -0.124 1.00 0.00 H new ATOM 0 HG2 LYS A 69 10.799 -5.655 0.145 1.00 0.00 H new ATOM 0 HG3 LYS A 69 10.588 -4.240 1.157 1.00 0.00 H new ATOM 0 HD2 LYS A 69 8.965 -5.691 2.577 1.00 0.00 H new ATOM 0 HD3 LYS A 69 9.586 -7.067 1.687 1.00 0.00 H new ATOM 0 HE2 LYS A 69 11.491 -5.126 3.046 1.00 0.00 H new ATOM 0 HE3 LYS A 69 10.730 -6.412 3.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 12.356 -7.703 3.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 11.626 -7.646 1.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 12.868 -6.557 2.075 1.00 0.00 H new ATOM 1098 N HIS A 70 9.169 -5.795 -2.919 1.00 0.00 N ATOM 1099 CA HIS A 70 9.786 -6.653 -3.916 1.00 0.00 C ATOM 1100 C HIS A 70 10.353 -5.797 -5.050 1.00 0.00 C ATOM 1101 O HIS A 70 11.487 -6.002 -5.480 1.00 0.00 O ATOM 1102 CB HIS A 70 8.796 -7.711 -4.410 1.00 0.00 C ATOM 1103 CG HIS A 70 9.294 -8.515 -5.587 1.00 0.00 C ATOM 1104 ND1 HIS A 70 8.705 -8.456 -6.838 1.00 0.00 N ATOM 1105 CD2 HIS A 70 10.329 -9.397 -5.690 1.00 0.00 C ATOM 1106 CE1 HIS A 70 9.364 -9.269 -7.650 1.00 0.00 C ATOM 1107 NE2 HIS A 70 10.370 -9.852 -6.937 1.00 0.00 N ATOM 0 H HIS A 70 8.165 -5.931 -2.801 1.00 0.00 H new ATOM 0 HA HIS A 70 10.617 -7.197 -3.468 1.00 0.00 H new ATOM 0 HB2 HIS A 70 8.567 -8.391 -3.589 1.00 0.00 H new ATOM 0 HB3 HIS A 70 7.863 -7.220 -4.687 1.00 0.00 H new ATOM 0 HD2 HIS A 70 11.001 -9.678 -4.893 1.00 0.00 H new ATOM 0 HE1 HIS A 70 9.143 -9.440 -8.693 1.00 0.00 H new ATOM 0 HE2 HIS A 70 11.043 -10.526 -7.301 1.00 0.00 H new ATOM 1115 N ALA A 71 9.538 -4.856 -5.503 1.00 0.00 N ATOM 1116 CA ALA A 71 9.944 -3.968 -6.579 1.00 0.00 C ATOM 1117 C ALA A 71 11.268 -3.298 -6.208 1.00 0.00 C ATOM 1118 O ALA A 71 12.202 -3.275 -7.009 1.00 0.00 O ATOM 1119 CB ALA A 71 8.832 -2.952 -6.850 1.00 0.00 C ATOM 0 H ALA A 71 8.598 -4.689 -5.144 1.00 0.00 H new ATOM 0 HA ALA A 71 10.104 -4.529 -7.500 1.00 0.00 H new ATOM 0 HB1 ALA A 71 9.137 -2.286 -7.657 1.00 0.00 H new ATOM 0 HB2 ALA A 71 7.921 -3.477 -7.137 1.00 0.00 H new ATOM 0 HB3 ALA A 71 8.645 -2.368 -5.949 1.00 0.00 H new ATOM 1125 N GLU A 72 11.308 -2.768 -4.994 1.00 0.00 N ATOM 1126 CA GLU A 72 12.502 -2.099 -4.508 1.00 0.00 C ATOM 1127 C GLU A 72 13.647 -3.102 -4.355 1.00 0.00 C ATOM 1128 O GLU A 72 14.782 -2.816 -4.733 1.00 0.00 O ATOM 1129 CB GLU A 72 12.227 -1.376 -3.188 1.00 0.00 C ATOM 1130 CG GLU A 72 12.463 0.129 -3.328 1.00 0.00 C ATOM 1131 CD GLU A 72 11.335 0.925 -2.666 1.00 0.00 C ATOM 1132 OE1 GLU A 72 11.599 1.762 -1.790 1.00 0.00 O ATOM 1133 OE2 GLU A 72 10.150 0.649 -3.093 1.00 0.00 O ATOM 0 H GLU A 72 10.532 -2.789 -4.333 1.00 0.00 H new ATOM 0 HA GLU A 72 12.798 -1.348 -5.241 1.00 0.00 H new ATOM 0 HB2 GLU A 72 11.199 -1.559 -2.876 1.00 0.00 H new ATOM 0 HB3 GLU A 72 12.873 -1.778 -2.408 1.00 0.00 H new ATOM 0 HG2 GLU A 72 13.417 0.395 -2.872 1.00 0.00 H new ATOM 0 HG3 GLU A 72 12.529 0.394 -4.383 1.00 0.00 H new ATOM 1141 N GLN A 73 13.310 -4.257 -3.799 1.00 0.00 N ATOM 1142 CA GLN A 73 14.296 -5.304 -3.592 1.00 0.00 C ATOM 1143 C GLN A 73 15.108 -5.529 -4.869 1.00 0.00 C ATOM 1144 O GLN A 73 16.297 -5.835 -4.806 1.00 0.00 O ATOM 1145 CB GLN A 73 13.629 -6.601 -3.130 1.00 0.00 C ATOM 1146 CG GLN A 73 14.329 -7.167 -1.893 1.00 0.00 C ATOM 1147 CD GLN A 73 14.497 -8.683 -2.003 1.00 0.00 C ATOM 1148 OE1 GLN A 73 13.913 -9.454 -1.260 1.00 0.00 O ATOM 1149 NE2 GLN A 73 15.325 -9.067 -2.970 1.00 0.00 N ATOM 0 H GLN A 73 12.368 -4.490 -3.486 1.00 0.00 H new ATOM 0 HA GLN A 73 14.978 -4.984 -2.804 1.00 0.00 H new ATOM 0 HB2 GLN A 73 12.579 -6.414 -2.904 1.00 0.00 H new ATOM 0 HB3 GLN A 73 13.656 -7.335 -3.935 1.00 0.00 H new ATOM 0 HG2 GLN A 73 15.306 -6.697 -1.777 1.00 0.00 H new ATOM 0 HG3 GLN A 73 13.751 -6.926 -1.001 1.00 0.00 H new ATOM 0 HE21 GLN A 73 15.782 -8.369 -3.557 1.00 0.00 H new ATOM 0 HE22 GLN A 73 15.503 -10.059 -3.125 1.00 0.00 H new ATOM 1158 N GLU A 74 14.433 -5.368 -5.997 1.00 0.00 N ATOM 1159 CA GLU A 74 15.076 -5.550 -7.287 1.00 0.00 C ATOM 1160 C GLU A 74 15.470 -4.196 -7.880 1.00 0.00 C ATOM 1161 O GLU A 74 15.537 -4.044 -9.099 1.00 0.00 O ATOM 1162 CB GLU A 74 14.173 -6.327 -8.246 1.00 0.00 C ATOM 1163 CG GLU A 74 14.814 -7.657 -8.648 1.00 0.00 C ATOM 1164 CD GLU A 74 15.318 -7.610 -10.091 1.00 0.00 C ATOM 1165 OE1 GLU A 74 14.713 -6.933 -10.937 1.00 0.00 O ATOM 1166 OE2 GLU A 74 16.378 -8.307 -10.322 1.00 0.00 O ATOM 0 H GLU A 74 13.446 -5.113 -6.045 1.00 0.00 H new ATOM 0 HA GLU A 74 15.982 -6.137 -7.139 1.00 0.00 H new ATOM 0 HB2 GLU A 74 13.209 -6.512 -7.773 1.00 0.00 H new ATOM 0 HB3 GLU A 74 13.981 -5.728 -9.136 1.00 0.00 H new ATOM 0 HG2 GLU A 74 15.643 -7.883 -7.977 1.00 0.00 H new ATOM 0 HG3 GLU A 74 14.088 -8.462 -8.539 1.00 0.00 H new ATOM 1174 N ASN A 75 15.719 -3.246 -6.990 1.00 0.00 N ATOM 1175 CA ASN A 75 16.103 -1.910 -7.410 1.00 0.00 C ATOM 1176 C ASN A 75 16.946 -1.257 -6.312 1.00 0.00 C ATOM 1177 O ASN A 75 18.113 -0.937 -6.529 1.00 0.00 O ATOM 1178 CB ASN A 75 14.873 -1.031 -7.647 1.00 0.00 C ATOM 1179 CG ASN A 75 14.555 -0.924 -9.140 1.00 0.00 C ATOM 1180 OD1 ASN A 75 13.947 -1.798 -9.736 1.00 0.00 O ATOM 1181 ND2 ASN A 75 15.000 0.193 -9.709 1.00 0.00 N ATOM 0 H ASN A 75 15.662 -3.376 -5.980 1.00 0.00 H new ATOM 0 HA ASN A 75 16.667 -1.998 -8.338 1.00 0.00 H new ATOM 0 HB2 ASN A 75 14.016 -1.448 -7.118 1.00 0.00 H new ATOM 0 HB3 ASN A 75 15.048 -0.036 -7.237 1.00 0.00 H new ATOM 0 HD21 ASN A 75 14.839 0.358 -10.703 1.00 0.00 H new ATOM 0 HD22 ASN A 75 15.502 0.884 -9.152 1.00 0.00 H new ATOM 1188 N MET A 76 16.320 -1.080 -5.158 1.00 0.00 N ATOM 1189 CA MET A 76 16.998 -0.471 -4.026 1.00 0.00 C ATOM 1190 C MET A 76 17.678 -1.533 -3.159 1.00 0.00 C ATOM 1191 O MET A 76 17.586 -2.725 -3.445 1.00 0.00 O ATOM 1192 CB MET A 76 15.985 0.305 -3.181 1.00 0.00 C ATOM 1193 CG MET A 76 15.272 1.368 -4.020 1.00 0.00 C ATOM 1194 SD MET A 76 16.468 2.476 -4.746 1.00 0.00 S ATOM 1195 CE MET A 76 15.705 2.759 -6.334 1.00 0.00 C ATOM 0 H MET A 76 15.351 -1.347 -4.982 1.00 0.00 H new ATOM 0 HA MET A 76 17.763 0.206 -4.406 1.00 0.00 H new ATOM 0 HB2 MET A 76 15.252 -0.384 -2.761 1.00 0.00 H new ATOM 0 HB3 MET A 76 16.494 0.780 -2.342 1.00 0.00 H new ATOM 0 HG2 MET A 76 14.684 0.890 -4.804 1.00 0.00 H new ATOM 0 HG3 MET A 76 14.576 1.929 -3.396 1.00 0.00 H new ATOM 0 HE1 MET A 76 15.938 3.768 -6.675 1.00 0.00 H new ATOM 0 HE2 MET A 76 16.085 2.035 -7.055 1.00 0.00 H new ATOM 0 HE3 MET A 76 14.624 2.648 -6.244 1.00 0.00 H new ATOM 1205 N THR A 77 18.347 -1.060 -2.117 1.00 0.00 N ATOM 1206 CA THR A 77 19.043 -1.954 -1.207 1.00 0.00 C ATOM 1207 C THR A 77 18.105 -2.410 -0.087 1.00 0.00 C ATOM 1208 O THR A 77 16.922 -2.073 -0.086 1.00 0.00 O ATOM 1209 CB THR A 77 20.291 -1.231 -0.698 1.00 0.00 C ATOM 1210 OG1 THR A 77 20.901 -2.171 0.183 1.00 0.00 O ATOM 1211 CG2 THR A 77 19.954 -0.041 0.203 1.00 0.00 C ATOM 0 H THR A 77 18.422 -0.070 -1.883 1.00 0.00 H new ATOM 0 HA THR A 77 19.361 -2.866 -1.713 1.00 0.00 H new ATOM 0 HB THR A 77 20.882 -0.887 -1.547 1.00 0.00 H new ATOM 0 HG1 THR A 77 21.720 -1.784 0.558 1.00 0.00 H new ATOM 0 HG21 THR A 77 20.876 0.436 0.536 1.00 0.00 H new ATOM 0 HG22 THR A 77 19.354 0.679 -0.354 1.00 0.00 H new ATOM 0 HG23 THR A 77 19.392 -0.389 1.070 1.00 0.00 H new ATOM 1219 N LEU A 78 18.670 -3.169 0.841 1.00 0.00 N ATOM 1220 CA LEU A 78 17.899 -3.675 1.964 1.00 0.00 C ATOM 1221 C LEU A 78 17.566 -2.519 2.910 1.00 0.00 C ATOM 1222 O LEU A 78 16.468 -2.461 3.462 1.00 0.00 O ATOM 1223 CB LEU A 78 18.637 -4.831 2.643 1.00 0.00 C ATOM 1224 CG LEU A 78 18.233 -6.238 2.197 1.00 0.00 C ATOM 1225 CD1 LEU A 78 18.670 -6.503 0.755 1.00 0.00 C ATOM 1226 CD2 LEU A 78 18.772 -7.295 3.163 1.00 0.00 C ATOM 0 H LEU A 78 19.652 -3.446 0.838 1.00 0.00 H new ATOM 0 HA LEU A 78 16.952 -4.090 1.620 1.00 0.00 H new ATOM 0 HB2 LEU A 78 19.705 -4.708 2.466 1.00 0.00 H new ATOM 0 HB3 LEU A 78 18.481 -4.753 3.719 1.00 0.00 H new ATOM 0 HG LEU A 78 17.145 -6.305 2.221 1.00 0.00 H new ATOM 0 HD11 LEU A 78 18.371 -7.510 0.463 1.00 0.00 H new ATOM 0 HD12 LEU A 78 18.198 -5.778 0.093 1.00 0.00 H new ATOM 0 HD13 LEU A 78 19.754 -6.411 0.680 1.00 0.00 H new ATOM 0 HD21 LEU A 78 18.471 -8.286 2.823 1.00 0.00 H new ATOM 0 HD22 LEU A 78 19.860 -7.238 3.195 1.00 0.00 H new ATOM 0 HD23 LEU A 78 18.370 -7.116 4.160 1.00 0.00 H new ATOM 1238 N THR A 79 18.533 -1.627 3.067 1.00 0.00 N ATOM 1239 CA THR A 79 18.356 -0.477 3.936 1.00 0.00 C ATOM 1240 C THR A 79 17.120 0.322 3.518 1.00 0.00 C ATOM 1241 O THR A 79 16.235 0.575 4.334 1.00 0.00 O ATOM 1242 CB THR A 79 19.648 0.342 3.905 1.00 0.00 C ATOM 1243 OG1 THR A 79 20.453 -0.242 4.925 1.00 0.00 O ATOM 1244 CG2 THR A 79 19.439 1.784 4.375 1.00 0.00 C ATOM 0 H THR A 79 19.442 -1.678 2.607 1.00 0.00 H new ATOM 0 HA THR A 79 18.173 -0.784 4.966 1.00 0.00 H new ATOM 0 HB THR A 79 20.052 0.345 2.892 1.00 0.00 H new ATOM 0 HG1 THR A 79 21.312 0.228 4.973 1.00 0.00 H new ATOM 0 HG21 THR A 79 20.387 2.321 4.334 1.00 0.00 H new ATOM 0 HG22 THR A 79 18.714 2.276 3.727 1.00 0.00 H new ATOM 0 HG23 THR A 79 19.067 1.782 5.400 1.00 0.00 H new ATOM 1252 N GLU A 80 17.099 0.697 2.247 1.00 0.00 N ATOM 1253 CA GLU A 80 15.986 1.462 1.711 1.00 0.00 C ATOM 1254 C GLU A 80 14.665 0.736 1.978 1.00 0.00 C ATOM 1255 O GLU A 80 13.688 1.353 2.401 1.00 0.00 O ATOM 1256 CB GLU A 80 16.173 1.727 0.216 1.00 0.00 C ATOM 1257 CG GLU A 80 16.402 3.216 -0.052 1.00 0.00 C ATOM 1258 CD GLU A 80 16.078 3.567 -1.506 1.00 0.00 C ATOM 1259 OE1 GLU A 80 16.982 3.934 -2.271 1.00 0.00 O ATOM 1260 OE2 GLU A 80 14.835 3.447 -1.832 1.00 0.00 O ATOM 0 H GLU A 80 17.835 0.485 1.573 1.00 0.00 H new ATOM 0 HA GLU A 80 15.957 2.427 2.217 1.00 0.00 H new ATOM 0 HB2 GLU A 80 17.021 1.152 -0.156 1.00 0.00 H new ATOM 0 HB3 GLU A 80 15.293 1.386 -0.330 1.00 0.00 H new ATOM 0 HG2 GLU A 80 15.779 3.810 0.617 1.00 0.00 H new ATOM 0 HG3 GLU A 80 17.439 3.473 0.166 1.00 0.00 H new ATOM 1268 N LEU A 81 14.678 -0.564 1.721 1.00 0.00 N ATOM 1269 CA LEU A 81 13.494 -1.379 1.929 1.00 0.00 C ATOM 1270 C LEU A 81 13.077 -1.301 3.399 1.00 0.00 C ATOM 1271 O LEU A 81 11.890 -1.351 3.714 1.00 0.00 O ATOM 1272 CB LEU A 81 13.733 -2.807 1.433 1.00 0.00 C ATOM 1273 CG LEU A 81 13.350 -3.084 -0.022 1.00 0.00 C ATOM 1274 CD1 LEU A 81 13.347 -4.587 -0.311 1.00 0.00 C ATOM 1275 CD2 LEU A 81 12.011 -2.431 -0.371 1.00 0.00 C ATOM 0 H LEU A 81 15.490 -1.072 1.371 1.00 0.00 H new ATOM 0 HA LEU A 81 12.660 -0.996 1.340 1.00 0.00 H new ATOM 0 HB2 LEU A 81 14.789 -3.043 1.561 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.174 -3.491 2.072 1.00 0.00 H new ATOM 0 HG LEU A 81 14.105 -2.633 -0.666 1.00 0.00 H new ATOM 0 HD11 LEU A 81 13.072 -4.757 -1.352 1.00 0.00 H new ATOM 0 HD12 LEU A 81 14.341 -4.995 -0.128 1.00 0.00 H new ATOM 0 HD13 LEU A 81 12.626 -5.081 0.340 1.00 0.00 H new ATOM 0 HD21 LEU A 81 11.763 -2.644 -1.411 1.00 0.00 H new ATOM 0 HD22 LEU A 81 11.231 -2.831 0.277 1.00 0.00 H new ATOM 0 HD23 LEU A 81 12.084 -1.353 -0.228 1.00 0.00 H new ATOM 1287 N LYS A 82 14.078 -1.179 4.259 1.00 0.00 N ATOM 1288 CA LYS A 82 13.830 -1.094 5.688 1.00 0.00 C ATOM 1289 C LYS A 82 13.201 0.263 6.012 1.00 0.00 C ATOM 1290 O LYS A 82 12.379 0.370 6.920 1.00 0.00 O ATOM 1291 CB LYS A 82 15.112 -1.380 6.472 1.00 0.00 C ATOM 1292 CG LYS A 82 14.826 -2.269 7.684 1.00 0.00 C ATOM 1293 CD LYS A 82 15.591 -3.590 7.588 1.00 0.00 C ATOM 1294 CE LYS A 82 16.211 -3.965 8.936 1.00 0.00 C ATOM 1295 NZ LYS A 82 16.484 -5.418 8.995 1.00 0.00 N ATOM 0 H LYS A 82 15.062 -1.137 3.993 1.00 0.00 H new ATOM 0 HA LYS A 82 13.117 -1.859 5.997 1.00 0.00 H new ATOM 0 HB2 LYS A 82 15.839 -1.867 5.822 1.00 0.00 H new ATOM 0 HB3 LYS A 82 15.558 -0.442 6.802 1.00 0.00 H new ATOM 0 HG2 LYS A 82 15.109 -1.746 8.598 1.00 0.00 H new ATOM 0 HG3 LYS A 82 13.756 -2.468 7.749 1.00 0.00 H new ATOM 0 HD2 LYS A 82 14.917 -4.382 7.261 1.00 0.00 H new ATOM 0 HD3 LYS A 82 16.374 -3.507 6.834 1.00 0.00 H new ATOM 0 HE2 LYS A 82 17.137 -3.409 9.084 1.00 0.00 H new ATOM 0 HE3 LYS A 82 15.536 -3.683 9.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 16.904 -5.655 9.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 15.595 -5.943 8.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 17.145 -5.678 8.236 1.00 0.00 H new ATOM 1308 N LYS A 83 13.613 1.267 5.250 1.00 0.00 N ATOM 1309 CA LYS A 83 13.100 2.612 5.445 1.00 0.00 C ATOM 1310 C LYS A 83 11.623 2.653 5.049 1.00 0.00 C ATOM 1311 O LYS A 83 10.780 3.093 5.829 1.00 0.00 O ATOM 1312 CB LYS A 83 13.965 3.628 4.696 1.00 0.00 C ATOM 1313 CG LYS A 83 14.428 4.748 5.630 1.00 0.00 C ATOM 1314 CD LYS A 83 13.318 5.778 5.845 1.00 0.00 C ATOM 1315 CE LYS A 83 13.901 7.172 6.082 1.00 0.00 C ATOM 1316 NZ LYS A 83 14.597 7.229 7.387 1.00 0.00 N ATOM 0 H LYS A 83 14.295 1.175 4.498 1.00 0.00 H new ATOM 0 HA LYS A 83 13.156 2.892 6.497 1.00 0.00 H new ATOM 0 HB2 LYS A 83 14.832 3.126 4.266 1.00 0.00 H new ATOM 0 HB3 LYS A 83 13.399 4.052 3.867 1.00 0.00 H new ATOM 0 HG2 LYS A 83 14.728 4.326 6.589 1.00 0.00 H new ATOM 0 HG3 LYS A 83 15.306 5.237 5.209 1.00 0.00 H new ATOM 0 HD2 LYS A 83 12.662 5.798 4.975 1.00 0.00 H new ATOM 0 HD3 LYS A 83 12.707 5.486 6.699 1.00 0.00 H new ATOM 0 HE2 LYS A 83 14.597 7.422 5.281 1.00 0.00 H new ATOM 0 HE3 LYS A 83 13.104 7.915 6.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 14.987 8.182 7.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 13.924 7.011 8.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 15.370 6.534 7.399 1.00 0.00 H new ATOM 1329 N VAL A 84 11.354 2.187 3.838 1.00 0.00 N ATOM 1330 CA VAL A 84 9.993 2.165 3.330 1.00 0.00 C ATOM 1331 C VAL A 84 9.147 1.225 4.191 1.00 0.00 C ATOM 1332 O VAL A 84 8.013 1.549 4.541 1.00 0.00 O ATOM 1333 CB VAL A 84 9.994 1.780 1.849 1.00 0.00 C ATOM 1334 CG1 VAL A 84 11.027 2.597 1.071 1.00 0.00 C ATOM 1335 CG2 VAL A 84 10.234 0.280 1.672 1.00 0.00 C ATOM 0 H VAL A 84 12.056 1.822 3.194 1.00 0.00 H new ATOM 0 HA VAL A 84 9.545 3.157 3.395 1.00 0.00 H new ATOM 0 HB VAL A 84 9.009 2.011 1.442 1.00 0.00 H new ATOM 0 HG11 VAL A 84 11.007 2.304 0.021 1.00 0.00 H new ATOM 0 HG12 VAL A 84 10.791 3.658 1.156 1.00 0.00 H new ATOM 0 HG13 VAL A 84 12.020 2.412 1.481 1.00 0.00 H new ATOM 0 HG21 VAL A 84 10.230 0.034 0.610 1.00 0.00 H new ATOM 0 HG22 VAL A 84 11.199 0.013 2.103 1.00 0.00 H new ATOM 0 HG23 VAL A 84 9.445 -0.277 2.177 1.00 0.00 H new ATOM 1345 N ILE A 85 9.731 0.078 4.509 1.00 0.00 N ATOM 1346 CA ILE A 85 9.045 -0.911 5.322 1.00 0.00 C ATOM 1347 C ILE A 85 8.649 -0.280 6.659 1.00 0.00 C ATOM 1348 O ILE A 85 7.556 -0.528 7.166 1.00 0.00 O ATOM 1349 CB ILE A 85 9.901 -2.171 5.467 1.00 0.00 C ATOM 1350 CG1 ILE A 85 9.842 -3.022 4.197 1.00 0.00 C ATOM 1351 CG2 ILE A 85 9.497 -2.968 6.710 1.00 0.00 C ATOM 1352 CD1 ILE A 85 8.682 -4.018 4.256 1.00 0.00 C ATOM 0 H ILE A 85 10.672 -0.188 4.218 1.00 0.00 H new ATOM 0 HA ILE A 85 8.124 -1.232 4.835 1.00 0.00 H new ATOM 0 HB ILE A 85 10.939 -1.866 5.603 1.00 0.00 H new ATOM 0 HG12 ILE A 85 9.727 -2.375 3.327 1.00 0.00 H new ATOM 0 HG13 ILE A 85 10.782 -3.560 4.072 1.00 0.00 H new ATOM 0 HG21 ILE A 85 10.121 -3.858 6.790 1.00 0.00 H new ATOM 0 HG22 ILE A 85 9.631 -2.350 7.598 1.00 0.00 H new ATOM 0 HG23 ILE A 85 8.451 -3.264 6.629 1.00 0.00 H new ATOM 0 HD11 ILE A 85 8.664 -4.610 3.341 1.00 0.00 H new ATOM 0 HD12 ILE A 85 8.813 -4.679 5.113 1.00 0.00 H new ATOM 0 HD13 ILE A 85 7.742 -3.476 4.356 1.00 0.00 H new ATOM 1364 N ALA A 86 9.558 0.524 7.190 1.00 0.00 N ATOM 1365 CA ALA A 86 9.317 1.192 8.457 1.00 0.00 C ATOM 1366 C ALA A 86 8.327 2.339 8.244 1.00 0.00 C ATOM 1367 O ALA A 86 7.628 2.741 9.173 1.00 0.00 O ATOM 1368 CB ALA A 86 10.647 1.672 9.043 1.00 0.00 C ATOM 0 H ALA A 86 10.463 0.728 6.766 1.00 0.00 H new ATOM 0 HA ALA A 86 8.874 0.502 9.175 1.00 0.00 H new ATOM 0 HB1 ALA A 86 10.466 2.173 9.994 1.00 0.00 H new ATOM 0 HB2 ALA A 86 11.304 0.817 9.203 1.00 0.00 H new ATOM 0 HB3 ALA A 86 11.120 2.368 8.350 1.00 0.00 H new ATOM 1374 N ASP A 87 8.298 2.832 7.015 1.00 0.00 N ATOM 1375 CA ASP A 87 7.404 3.924 6.668 1.00 0.00 C ATOM 1376 C ASP A 87 6.004 3.368 6.403 1.00 0.00 C ATOM 1377 O ASP A 87 5.009 4.068 6.584 1.00 0.00 O ATOM 1378 CB ASP A 87 7.876 4.640 5.401 1.00 0.00 C ATOM 1379 CG ASP A 87 8.057 6.153 5.542 1.00 0.00 C ATOM 1380 OD1 ASP A 87 9.184 6.669 5.493 1.00 0.00 O ATOM 1381 OD2 ASP A 87 6.965 6.819 5.711 1.00 0.00 O ATOM 0 H ASP A 87 8.879 2.496 6.247 1.00 0.00 H new ATOM 0 HA ASP A 87 7.395 4.629 7.499 1.00 0.00 H new ATOM 0 HB2 ASP A 87 8.824 4.204 5.087 1.00 0.00 H new ATOM 0 HB3 ASP A 87 7.157 4.448 4.604 1.00 0.00 H new ATOM 1387 N ILE A 88 5.971 2.113 5.979 1.00 0.00 N ATOM 1388 CA ILE A 88 4.710 1.454 5.687 1.00 0.00 C ATOM 1389 C ILE A 88 4.183 0.784 6.958 1.00 0.00 C ATOM 1390 O ILE A 88 3.073 1.073 7.402 1.00 0.00 O ATOM 1391 CB ILE A 88 4.867 0.494 4.506 1.00 0.00 C ATOM 1392 CG1 ILE A 88 3.585 0.437 3.672 1.00 0.00 C ATOM 1393 CG2 ILE A 88 5.304 -0.893 4.981 1.00 0.00 C ATOM 1394 CD1 ILE A 88 3.903 0.220 2.191 1.00 0.00 C ATOM 0 H ILE A 88 6.798 1.535 5.831 1.00 0.00 H new ATOM 0 HA ILE A 88 3.962 2.184 5.377 1.00 0.00 H new ATOM 0 HB ILE A 88 5.656 0.875 3.858 1.00 0.00 H new ATOM 0 HG12 ILE A 88 2.948 -0.370 4.033 1.00 0.00 H new ATOM 0 HG13 ILE A 88 3.025 1.364 3.795 1.00 0.00 H new ATOM 0 HG21 ILE A 88 5.408 -1.556 4.122 1.00 0.00 H new ATOM 0 HG22 ILE A 88 6.261 -0.816 5.498 1.00 0.00 H new ATOM 0 HG23 ILE A 88 4.555 -1.297 5.662 1.00 0.00 H new ATOM 0 HD11 ILE A 88 2.975 0.183 1.621 1.00 0.00 H new ATOM 0 HD12 ILE A 88 4.520 1.042 1.827 1.00 0.00 H new ATOM 0 HD13 ILE A 88 4.441 -0.720 2.068 1.00 0.00 H new ATOM 1406 N TYR A 89 5.005 -0.098 7.507 1.00 0.00 N ATOM 1407 CA TYR A 89 4.636 -0.811 8.718 1.00 0.00 C ATOM 1408 C TYR A 89 5.583 -1.986 8.972 1.00 0.00 C ATOM 1409 O TYR A 89 6.088 -2.596 8.031 1.00 0.00 O ATOM 1410 CB TYR A 89 3.225 -1.351 8.477 1.00 0.00 C ATOM 1411 CG TYR A 89 3.080 -2.156 7.184 1.00 0.00 C ATOM 1412 CD1 TYR A 89 3.686 -3.391 7.068 1.00 0.00 C ATOM 1413 CD2 TYR A 89 2.343 -1.648 6.134 1.00 0.00 C ATOM 1414 CE1 TYR A 89 3.549 -4.149 5.852 1.00 0.00 C ATOM 1415 CE2 TYR A 89 2.207 -2.406 4.917 1.00 0.00 C ATOM 1416 CZ TYR A 89 2.816 -3.619 4.836 1.00 0.00 C ATOM 1417 OH TYR A 89 2.687 -4.335 3.687 1.00 0.00 O ATOM 0 H TYR A 89 5.925 -0.335 7.136 1.00 0.00 H new ATOM 0 HA TYR A 89 4.688 -0.150 9.583 1.00 0.00 H new ATOM 0 HB2 TYR A 89 2.939 -1.981 9.319 1.00 0.00 H new ATOM 0 HB3 TYR A 89 2.526 -0.515 8.453 1.00 0.00 H new ATOM 0 HD1 TYR A 89 4.263 -3.789 7.890 1.00 0.00 H new ATOM 0 HD2 TYR A 89 1.868 -0.682 6.225 1.00 0.00 H new ATOM 0 HE1 TYR A 89 4.018 -5.117 5.749 1.00 0.00 H new ATOM 0 HE2 TYR A 89 1.634 -2.020 4.087 1.00 0.00 H new ATOM 0 HH TYR A 89 2.903 -3.765 2.920 1.00 0.00 H new ATOM 1427 N PRO A 90 5.799 -2.277 10.283 1.00 0.00 N ATOM 1428 CA PRO A 90 6.676 -3.368 10.673 1.00 0.00 C ATOM 1429 C PRO A 90 5.999 -4.722 10.449 1.00 0.00 C ATOM 1430 O PRO A 90 4.917 -4.790 9.867 1.00 0.00 O ATOM 1431 CB PRO A 90 7.008 -3.104 12.132 1.00 0.00 C ATOM 1432 CG PRO A 90 5.943 -2.143 12.635 1.00 0.00 C ATOM 1433 CD PRO A 90 5.218 -1.577 11.425 1.00 0.00 C ATOM 0 HA PRO A 90 7.585 -3.412 10.074 1.00 0.00 H new ATOM 0 HB2 PRO A 90 7.002 -4.030 12.708 1.00 0.00 H new ATOM 0 HB3 PRO A 90 8.003 -2.672 12.234 1.00 0.00 H new ATOM 0 HG2 PRO A 90 5.243 -2.659 13.293 1.00 0.00 H new ATOM 0 HG3 PRO A 90 6.397 -1.341 13.218 1.00 0.00 H new ATOM 0 HD2 PRO A 90 4.144 -1.750 11.491 1.00 0.00 H new ATOM 0 HD3 PRO A 90 5.363 -0.500 11.345 1.00 0.00 H new ATOM 1441 N GLY A 91 6.664 -5.765 10.922 1.00 0.00 N ATOM 1442 CA GLY A 91 6.140 -7.113 10.781 1.00 0.00 C ATOM 1443 C GLY A 91 6.285 -7.610 9.341 1.00 0.00 C ATOM 1444 O GLY A 91 5.706 -7.035 8.421 1.00 0.00 O ATOM 0 H GLY A 91 7.561 -5.704 11.403 1.00 0.00 H new ATOM 0 HA2 GLY A 91 6.669 -7.785 11.456 1.00 0.00 H new ATOM 0 HA3 GLY A 91 5.090 -7.131 11.072 1.00 0.00 H new ATOM 1448 N GLN A 92 7.062 -8.673 9.191 1.00 0.00 N ATOM 1449 CA GLN A 92 7.290 -9.254 7.879 1.00 0.00 C ATOM 1450 C GLN A 92 6.710 -10.668 7.816 1.00 0.00 C ATOM 1451 O GLN A 92 7.419 -11.620 7.494 1.00 0.00 O ATOM 1452 CB GLN A 92 8.781 -9.257 7.533 1.00 0.00 C ATOM 1453 CG GLN A 92 8.996 -9.047 6.033 1.00 0.00 C ATOM 1454 CD GLN A 92 9.773 -10.215 5.422 1.00 0.00 C ATOM 1455 OE1 GLN A 92 10.981 -10.171 5.256 1.00 0.00 O ATOM 1456 NE2 GLN A 92 9.015 -11.259 5.098 1.00 0.00 N ATOM 0 H GLN A 92 7.541 -9.147 9.957 1.00 0.00 H new ATOM 0 HA GLN A 92 6.779 -8.640 7.137 1.00 0.00 H new ATOM 0 HB2 GLN A 92 9.289 -8.470 8.091 1.00 0.00 H new ATOM 0 HB3 GLN A 92 9.227 -10.203 7.839 1.00 0.00 H new ATOM 0 HG2 GLN A 92 8.032 -8.946 5.534 1.00 0.00 H new ATOM 0 HG3 GLN A 92 9.540 -8.117 5.867 1.00 0.00 H new ATOM 0 HE21 GLN A 92 8.009 -11.230 5.264 1.00 0.00 H new ATOM 0 HE22 GLN A 92 9.440 -12.089 4.684 1.00 0.00 H new ATOM 1465 N THR A 93 5.425 -10.760 8.128 1.00 0.00 N ATOM 1466 CA THR A 93 4.741 -12.042 8.110 1.00 0.00 C ATOM 1467 C THR A 93 3.467 -11.955 7.269 1.00 0.00 C ATOM 1468 O THR A 93 2.878 -10.883 7.136 1.00 0.00 O ATOM 1469 CB THR A 93 4.485 -12.461 9.559 1.00 0.00 C ATOM 1470 OG1 THR A 93 3.367 -11.672 9.956 1.00 0.00 O ATOM 1471 CG2 THR A 93 5.606 -12.021 10.503 1.00 0.00 C ATOM 0 H THR A 93 4.840 -9.968 8.394 1.00 0.00 H new ATOM 0 HA THR A 93 5.353 -12.810 7.637 1.00 0.00 H new ATOM 0 HB THR A 93 4.373 -13.544 9.609 1.00 0.00 H new ATOM 0 HG1 THR A 93 3.132 -11.881 10.884 1.00 0.00 H new ATOM 0 HG21 THR A 93 5.374 -12.343 11.518 1.00 0.00 H new ATOM 0 HG22 THR A 93 6.547 -12.471 10.185 1.00 0.00 H new ATOM 0 HG23 THR A 93 5.697 -10.935 10.479 1.00 0.00 H new ATOM 1479 N GLN A 94 3.078 -13.097 6.721 1.00 0.00 N ATOM 1480 CA GLN A 94 1.884 -13.164 5.896 1.00 0.00 C ATOM 1481 C GLN A 94 0.807 -12.225 6.444 1.00 0.00 C ATOM 1482 O GLN A 94 0.712 -12.023 7.654 1.00 0.00 O ATOM 1483 CB GLN A 94 1.363 -14.599 5.800 1.00 0.00 C ATOM 1484 CG GLN A 94 2.223 -15.432 4.847 1.00 0.00 C ATOM 1485 CD GLN A 94 2.268 -16.896 5.287 1.00 0.00 C ATOM 1486 OE1 GLN A 94 1.553 -17.326 6.177 1.00 0.00 O ATOM 1487 NE2 GLN A 94 3.147 -17.636 4.617 1.00 0.00 N ATOM 0 H GLN A 94 3.569 -13.984 6.832 1.00 0.00 H new ATOM 0 HA GLN A 94 2.144 -12.839 4.889 1.00 0.00 H new ATOM 0 HB2 GLN A 94 1.363 -15.057 6.789 1.00 0.00 H new ATOM 0 HB3 GLN A 94 0.330 -14.592 5.452 1.00 0.00 H new ATOM 0 HG2 GLN A 94 1.821 -15.365 3.836 1.00 0.00 H new ATOM 0 HG3 GLN A 94 3.234 -15.027 4.816 1.00 0.00 H new ATOM 0 HE21 GLN A 94 3.715 -17.213 3.883 1.00 0.00 H new ATOM 0 HE22 GLN A 94 3.253 -18.626 4.837 1.00 0.00 H new ATOM 1496 N PHE A 95 0.023 -11.677 5.527 1.00 0.00 N ATOM 1497 CA PHE A 95 -1.043 -10.764 5.903 1.00 0.00 C ATOM 1498 C PHE A 95 -2.081 -10.643 4.786 1.00 0.00 C ATOM 1499 O PHE A 95 -1.955 -11.287 3.745 1.00 0.00 O ATOM 1500 CB PHE A 95 -0.400 -9.396 6.136 1.00 0.00 C ATOM 1501 CG PHE A 95 -0.087 -9.096 7.603 1.00 0.00 C ATOM 1502 CD1 PHE A 95 -0.992 -9.411 8.569 1.00 0.00 C ATOM 1503 CD2 PHE A 95 1.095 -8.515 7.942 1.00 0.00 C ATOM 1504 CE1 PHE A 95 -0.702 -9.132 9.931 1.00 0.00 C ATOM 1505 CE2 PHE A 95 1.384 -8.237 9.304 1.00 0.00 C ATOM 1506 CZ PHE A 95 0.480 -8.551 10.270 1.00 0.00 C ATOM 0 H PHE A 95 0.105 -11.848 4.525 1.00 0.00 H new ATOM 0 HA PHE A 95 -1.550 -11.132 6.795 1.00 0.00 H new ATOM 0 HB2 PHE A 95 0.523 -9.337 5.559 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -1.066 -8.623 5.752 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -1.930 -9.873 8.300 1.00 0.00 H new ATOM 0 HD2 PHE A 95 1.814 -8.265 7.175 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -1.420 -9.381 10.698 1.00 0.00 H new ATOM 0 HE2 PHE A 95 2.323 -7.776 9.573 1.00 0.00 H new ATOM 0 HZ PHE A 95 0.701 -8.339 11.306 1.00 0.00 H new ATOM 1516 N TYR A 96 -3.083 -9.815 5.040 1.00 0.00 N ATOM 1517 CA TYR A 96 -4.142 -9.601 4.068 1.00 0.00 C ATOM 1518 C TYR A 96 -3.709 -8.599 2.996 1.00 0.00 C ATOM 1519 O TYR A 96 -3.195 -7.528 3.314 1.00 0.00 O ATOM 1520 CB TYR A 96 -5.320 -9.016 4.849 1.00 0.00 C ATOM 1521 CG TYR A 96 -6.548 -9.927 4.898 1.00 0.00 C ATOM 1522 CD1 TYR A 96 -7.444 -9.934 3.848 1.00 0.00 C ATOM 1523 CD2 TYR A 96 -6.761 -10.740 5.992 1.00 0.00 C ATOM 1524 CE1 TYR A 96 -8.600 -10.791 3.894 1.00 0.00 C ATOM 1525 CE2 TYR A 96 -7.917 -11.597 6.038 1.00 0.00 C ATOM 1526 CZ TYR A 96 -8.780 -11.581 4.987 1.00 0.00 C ATOM 1527 OH TYR A 96 -9.872 -12.390 5.030 1.00 0.00 O ATOM 0 H TYR A 96 -3.184 -9.284 5.905 1.00 0.00 H new ATOM 0 HA TYR A 96 -4.395 -10.535 3.566 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -4.997 -8.803 5.868 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -5.604 -8.064 4.400 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -7.278 -9.297 2.992 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -6.061 -10.734 6.814 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -9.309 -10.806 3.079 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -8.095 -12.238 6.888 1.00 0.00 H new ATOM 0 HH TYR A 96 -9.870 -12.897 5.868 1.00 0.00 H new ATOM 1537 N VAL A 97 -3.932 -8.983 1.747 1.00 0.00 N ATOM 1538 CA VAL A 97 -3.571 -8.132 0.627 1.00 0.00 C ATOM 1539 C VAL A 97 -4.836 -7.741 -0.140 1.00 0.00 C ATOM 1540 O VAL A 97 -5.645 -8.600 -0.489 1.00 0.00 O ATOM 1541 CB VAL A 97 -2.534 -8.835 -0.251 1.00 0.00 C ATOM 1542 CG1 VAL A 97 -2.263 -8.035 -1.527 1.00 0.00 C ATOM 1543 CG2 VAL A 97 -1.239 -9.085 0.524 1.00 0.00 C ATOM 0 H VAL A 97 -4.358 -9.872 1.487 1.00 0.00 H new ATOM 0 HA VAL A 97 -3.108 -7.211 0.981 1.00 0.00 H new ATOM 0 HB VAL A 97 -2.943 -9.803 -0.542 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.522 -8.557 -2.133 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.188 -7.931 -2.094 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -1.885 -7.047 -1.264 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -0.519 -9.586 -0.123 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -0.826 -8.134 0.859 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.448 -9.714 1.389 1.00 0.00 H new ATOM 1553 N ILE A 98 -4.968 -6.445 -0.379 1.00 0.00 N ATOM 1554 CA ILE A 98 -6.121 -5.930 -1.098 1.00 0.00 C ATOM 1555 C ILE A 98 -5.648 -5.194 -2.352 1.00 0.00 C ATOM 1556 O ILE A 98 -4.804 -4.302 -2.272 1.00 0.00 O ATOM 1557 CB ILE A 98 -6.990 -5.074 -0.173 1.00 0.00 C ATOM 1558 CG1 ILE A 98 -6.931 -5.589 1.266 1.00 0.00 C ATOM 1559 CG2 ILE A 98 -8.427 -4.990 -0.694 1.00 0.00 C ATOM 1560 CD1 ILE A 98 -7.326 -7.066 1.337 1.00 0.00 C ATOM 0 H ILE A 98 -4.295 -5.736 -0.088 1.00 0.00 H new ATOM 0 HA ILE A 98 -6.759 -6.748 -1.431 1.00 0.00 H new ATOM 0 HB ILE A 98 -6.589 -4.060 -0.168 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -5.924 -5.459 1.661 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -7.599 -5.000 1.895 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -9.023 -4.376 -0.019 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -8.428 -4.542 -1.688 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -8.854 -5.991 -0.747 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -7.276 -7.407 2.371 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -8.343 -7.189 0.964 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -6.642 -7.655 0.727 1.00 0.00 H new ATOM 1572 N GLU A 99 -6.212 -5.593 -3.483 1.00 0.00 N ATOM 1573 CA GLU A 99 -5.858 -4.982 -4.752 1.00 0.00 C ATOM 1574 C GLU A 99 -6.879 -3.905 -5.126 1.00 0.00 C ATOM 1575 O GLU A 99 -8.059 -4.024 -4.802 1.00 0.00 O ATOM 1576 CB GLU A 99 -5.746 -6.037 -5.856 1.00 0.00 C ATOM 1577 CG GLU A 99 -4.655 -5.664 -6.861 1.00 0.00 C ATOM 1578 CD GLU A 99 -4.344 -6.836 -7.794 1.00 0.00 C ATOM 1579 OE1 GLU A 99 -3.725 -6.641 -8.850 1.00 0.00 O ATOM 1580 OE2 GLU A 99 -4.771 -7.984 -7.387 1.00 0.00 O ATOM 0 H GLU A 99 -6.912 -6.332 -3.546 1.00 0.00 H new ATOM 0 HA GLU A 99 -4.882 -4.509 -4.645 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -5.522 -7.008 -5.415 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -6.702 -6.133 -6.371 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -4.975 -4.803 -7.448 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -3.751 -5.369 -6.329 1.00 0.00 H new ATOM 1588 N PHE A 100 -6.386 -2.877 -5.802 1.00 0.00 N ATOM 1589 CA PHE A 100 -7.240 -1.780 -6.222 1.00 0.00 C ATOM 1590 C PHE A 100 -6.741 -1.169 -7.534 1.00 0.00 C ATOM 1591 O PHE A 100 -5.616 -1.430 -7.956 1.00 0.00 O ATOM 1592 CB PHE A 100 -7.178 -0.718 -5.123 1.00 0.00 C ATOM 1593 CG PHE A 100 -5.825 -0.012 -5.014 1.00 0.00 C ATOM 1594 CD1 PHE A 100 -4.717 -0.717 -4.660 1.00 0.00 C ATOM 1595 CD2 PHE A 100 -5.729 1.319 -5.273 1.00 0.00 C ATOM 1596 CE1 PHE A 100 -3.461 -0.063 -4.560 1.00 0.00 C ATOM 1597 CE2 PHE A 100 -4.473 1.974 -5.172 1.00 0.00 C ATOM 1598 CZ PHE A 100 -3.366 1.269 -4.818 1.00 0.00 C ATOM 0 H PHE A 100 -5.406 -2.781 -6.069 1.00 0.00 H new ATOM 0 HA PHE A 100 -8.256 -2.140 -6.382 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -7.951 0.028 -5.309 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -7.410 -1.186 -4.166 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -4.793 -1.775 -4.455 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -6.608 1.879 -5.556 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -2.581 -0.623 -4.279 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -4.397 3.032 -5.376 1.00 0.00 H new ATOM 0 HZ PHE A 100 -2.411 1.767 -4.742 1.00 0.00 H new ATOM 1608 N LYS A 101 -7.603 -0.366 -8.141 1.00 0.00 N ATOM 1609 CA LYS A 101 -7.265 0.284 -9.395 1.00 0.00 C ATOM 1610 C LYS A 101 -7.826 1.707 -9.395 1.00 0.00 C ATOM 1611 O LYS A 101 -8.855 1.972 -8.774 1.00 0.00 O ATOM 1612 CB LYS A 101 -7.733 -0.561 -10.581 1.00 0.00 C ATOM 1613 CG LYS A 101 -9.248 -0.457 -10.764 1.00 0.00 C ATOM 1614 CD LYS A 101 -9.632 -0.583 -12.240 1.00 0.00 C ATOM 1615 CE LYS A 101 -10.954 0.132 -12.526 1.00 0.00 C ATOM 1616 NZ LYS A 101 -12.100 -0.747 -12.198 1.00 0.00 N ATOM 0 H LYS A 101 -8.535 -0.151 -7.787 1.00 0.00 H new ATOM 0 HA LYS A 101 -6.183 0.367 -9.500 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -7.230 -0.230 -11.489 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -7.453 -1.602 -10.423 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -9.742 -1.239 -10.188 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -9.600 0.497 -10.373 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -8.843 -0.159 -12.862 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -9.719 -1.636 -12.508 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -11.012 1.049 -11.940 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -10.998 0.421 -13.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -12.990 -0.247 -12.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -12.051 -1.611 -12.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -12.065 -1.002 -11.190 1.00 0.00 H new ATOM 1629 N CYS A 102 -7.127 2.586 -10.098 1.00 0.00 N ATOM 1630 CA CYS A 102 -7.543 3.975 -10.186 1.00 0.00 C ATOM 1631 C CYS A 102 -8.430 4.133 -11.423 1.00 0.00 C ATOM 1632 O CYS A 102 -8.769 3.149 -12.077 1.00 0.00 O ATOM 1633 CB CYS A 102 -6.343 4.924 -10.220 1.00 0.00 C ATOM 1634 SG CYS A 102 -6.752 6.481 -9.350 1.00 0.00 S ATOM 0 H CYS A 102 -6.275 2.363 -10.612 1.00 0.00 H new ATOM 0 HA CYS A 102 -8.111 4.244 -9.295 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -5.481 4.451 -9.750 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -6.066 5.137 -11.253 1.00 0.00 H new ATOM 0 HG CYS A 102 -5.726 7.279 -9.383 1.00 0.00 H new ATOM 1640 N LEU A 103 -8.780 5.379 -11.705 1.00 0.00 N ATOM 1641 CA LEU A 103 -9.621 5.679 -12.852 1.00 0.00 C ATOM 1642 C LEU A 103 -9.169 6.999 -13.479 1.00 0.00 C ATOM 1643 O LEU A 103 -9.379 7.229 -14.669 1.00 0.00 O ATOM 1644 CB LEU A 103 -11.098 5.661 -12.452 1.00 0.00 C ATOM 1645 CG LEU A 103 -11.435 6.296 -11.102 1.00 0.00 C ATOM 1646 CD1 LEU A 103 -11.754 7.784 -11.261 1.00 0.00 C ATOM 1647 CD2 LEU A 103 -12.568 5.538 -10.407 1.00 0.00 C ATOM 0 H LEU A 103 -8.497 6.193 -11.159 1.00 0.00 H new ATOM 0 HA LEU A 103 -9.512 4.910 -13.616 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -11.670 6.174 -13.225 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -11.438 4.625 -12.439 1.00 0.00 H new ATOM 0 HG LEU A 103 -10.557 6.221 -10.460 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -11.990 8.212 -10.287 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -10.891 8.298 -11.683 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -12.609 7.904 -11.927 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -12.788 6.010 -9.449 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -13.459 5.559 -11.035 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -12.266 4.504 -10.241 1.00 0.00 H new