USER MOD reduce.3.24.130724 H: found=0, std=0, add=1005, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1005 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 87 LYS NZ :NH3+ -147:sc= 1.67 (180deg=1.04) USER MOD Set 1.2: A 136 THR OG1 : rot 78:sc= 1.68 USER MOD Set 2.1: A 70 TYR OH : rot 150:sc= 0.504 USER MOD Set 2.2: A 105 GLN : amide:sc= 0.383 K(o=0.89,f=0.22) USER MOD Set 3.1: A 103 LYS NZ :NH3+ -150:sc= 1.21 (180deg=-0.00722) USER MOD Set 3.2: A 107 GLN : amide:sc= 1.03 K(o=2.2,f=-3.8) USER MOD Set 4.1: A 46 THR OG1 : rot 72:sc= 1.77 USER MOD Set 4.2: A 81 TYR OH : rot -16:sc= 0.584 USER MOD Set 5.1: A 74 ASN : amide:sc= -0.758 X(o=-0.44,f=-0.47!) USER MOD Set 5.2: A 77 SER OG : rot 180:sc= 0.313 USER MOD Set 6.1: A 5 HIS : no HE2:sc= 0.458 K(o=0.46,f=-2.4!) USER MOD Set 6.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc= 1.18 K(o=1.2,f=-2.6!) USER MOD Single : A 12 SER OG : rot 81:sc= 1.26 USER MOD Single : A 13 THR OG1 : rot 77:sc= 1.23 USER MOD Single : A 16 MET CE :methyl 155:sc= 0 (180deg=-0.11) USER MOD Single : A 21 SER OG : rot -85:sc= 1.23 USER MOD Single : A 23 HIS : no HD1:sc= -0.271 X(o=-0.27,f=-0.21) USER MOD Single : A 28 GLN : amide:sc= -0.37 X(o=-0.37,f=-0.64) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.756 K(o=-0.76,f=-0.072) USER MOD Single : A 42 SER OG : rot 80:sc= 1.24 USER MOD Single : A 44 SER OG : rot 69:sc= 1.02 USER MOD Single : A 47 LYS NZ :NH3+ -175:sc= 1.24 (180deg=1.14) USER MOD Single : A 53 LYS NZ :NH3+ 157:sc= 1.16 (180deg=0.808) USER MOD Single : A 54 SER OG : rot -80:sc= 1.45 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.368 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= 0.948 K(o=0.95,f=0) USER MOD Single : A 67 SER OG : rot -165:sc= 0.545 USER MOD Single : A 68 LYS NZ :NH3+ -166:sc= 1.23 (180deg=0.877) USER MOD Single : A 72 LYS NZ :NH3+ 175:sc= 1.22 (180deg=1.13) USER MOD Single : A 75 GLN : amide:sc= 0.356 K(o=0.36,f=-3.7!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot -88:sc= 1.12 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0.974 (180deg=0.974) USER MOD Single : A 95 SER OG : rot 180:sc= -0.0828 USER MOD Single : A 97 LYS NZ :NH3+ -171:sc= 1.24 (180deg=0.849) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 131 SER OG : rot 75:sc= 1.21 USER MOD Single : A 137 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 52 N ASN A 4 5.395 9.545 5.511 1.00 0.00 N ATOM 53 CA ASN A 4 5.361 8.748 6.733 1.00 0.00 C ATOM 54 C ASN A 4 6.670 8.977 7.490 1.00 0.00 C ATOM 55 O ASN A 4 7.670 9.389 6.894 1.00 0.00 O ATOM 56 CB ASN A 4 5.149 7.254 6.407 1.00 0.00 C ATOM 57 CG ASN A 4 4.985 6.404 7.668 1.00 0.00 C ATOM 58 OD1 ASN A 4 4.429 6.854 8.665 1.00 0.00 O ATOM 59 ND2 ASN A 4 5.489 5.183 7.684 1.00 0.00 N ATOM 0 HA ASN A 4 4.523 9.055 7.358 1.00 0.00 H new ATOM 0 HB2 ASN A 4 4.265 7.143 5.779 1.00 0.00 H new ATOM 0 HB3 ASN A 4 5.998 6.886 5.831 1.00 0.00 H new ATOM 0 HD21 ASN A 4 5.416 4.612 8.526 1.00 0.00 H new ATOM 0 HD22 ASN A 4 5.951 4.811 6.854 1.00 0.00 H new ATOM 66 N HIS A 5 6.674 8.676 8.790 1.00 0.00 N ATOM 67 CA HIS A 5 7.786 8.908 9.708 1.00 0.00 C ATOM 68 C HIS A 5 9.085 8.253 9.217 1.00 0.00 C ATOM 69 O HIS A 5 10.162 8.789 9.471 1.00 0.00 O ATOM 70 CB HIS A 5 7.379 8.393 11.103 1.00 0.00 C ATOM 71 CG HIS A 5 8.276 8.806 12.250 1.00 0.00 C ATOM 72 ND1 HIS A 5 9.651 8.898 12.240 1.00 0.00 N ATOM 73 CD2 HIS A 5 7.869 9.116 13.521 1.00 0.00 C ATOM 74 CE1 HIS A 5 10.061 9.263 13.466 1.00 0.00 C ATOM 75 NE2 HIS A 5 9.006 9.409 14.289 1.00 0.00 N ATOM 0 H HIS A 5 5.870 8.247 9.248 1.00 0.00 H new ATOM 0 HA HIS A 5 7.994 9.977 9.759 1.00 0.00 H new ATOM 0 HB2 HIS A 5 6.368 8.740 11.316 1.00 0.00 H new ATOM 0 HB3 HIS A 5 7.342 7.304 11.070 1.00 0.00 H new ATOM 0 HD1 HIS A 5 10.255 8.719 11.438 1.00 0.00 H new ATOM 0 HD2 HIS A 5 6.848 9.132 13.872 1.00 0.00 H new ATOM 0 HE1 HIS A 5 11.091 9.417 13.751 1.00 0.00 H new ATOM 83 N GLU A 6 9.003 7.130 8.496 1.00 0.00 N ATOM 84 CA GLU A 6 10.179 6.463 7.935 1.00 0.00 C ATOM 85 C GLU A 6 10.951 7.396 7.000 1.00 0.00 C ATOM 86 O GLU A 6 12.176 7.482 7.070 1.00 0.00 O ATOM 87 CB GLU A 6 9.780 5.150 7.234 1.00 0.00 C ATOM 88 CG GLU A 6 8.787 5.312 6.072 1.00 0.00 C ATOM 89 CD GLU A 6 8.169 3.976 5.641 1.00 0.00 C ATOM 90 OE1 GLU A 6 8.909 3.062 5.213 1.00 0.00 O ATOM 91 OE2 GLU A 6 6.924 3.856 5.692 1.00 0.00 O ATOM 0 H GLU A 6 8.122 6.660 8.286 1.00 0.00 H new ATOM 0 HA GLU A 6 10.849 6.207 8.755 1.00 0.00 H new ATOM 0 HB2 GLU A 6 10.682 4.668 6.857 1.00 0.00 H new ATOM 0 HB3 GLU A 6 9.345 4.478 7.974 1.00 0.00 H new ATOM 0 HG2 GLU A 6 7.993 5.998 6.369 1.00 0.00 H new ATOM 0 HG3 GLU A 6 9.297 5.764 5.222 1.00 0.00 H new ATOM 98 N ILE A 7 10.244 8.143 6.153 1.00 0.00 N ATOM 99 CA ILE A 7 10.869 8.999 5.165 1.00 0.00 C ATOM 100 C ILE A 7 11.222 10.357 5.761 1.00 0.00 C ATOM 101 O ILE A 7 12.239 10.923 5.368 1.00 0.00 O ATOM 102 CB ILE A 7 9.991 8.992 3.898 1.00 0.00 C ATOM 103 CG1 ILE A 7 10.506 7.770 3.106 1.00 0.00 C ATOM 104 CG2 ILE A 7 10.033 10.282 3.069 1.00 0.00 C ATOM 105 CD1 ILE A 7 9.572 7.325 2.000 1.00 0.00 C ATOM 0 H ILE A 7 9.224 8.167 6.138 1.00 0.00 H new ATOM 0 HA ILE A 7 11.842 8.625 4.848 1.00 0.00 H new ATOM 0 HB ILE A 7 8.935 8.930 4.161 1.00 0.00 H new ATOM 0 HG12 ILE A 7 11.478 8.011 2.674 1.00 0.00 H new ATOM 0 HG13 ILE A 7 10.660 6.940 3.795 1.00 0.00 H new ATOM 0 HG21 ILE A 7 9.383 10.177 2.200 1.00 0.00 H new ATOM 0 HG22 ILE A 7 9.691 11.118 3.679 1.00 0.00 H new ATOM 0 HG23 ILE A 7 11.055 10.469 2.738 1.00 0.00 H new ATOM 0 HD11 ILE A 7 9.999 6.463 1.488 1.00 0.00 H new ATOM 0 HD12 ILE A 7 8.607 7.052 2.427 1.00 0.00 H new ATOM 0 HD13 ILE A 7 9.437 8.139 1.288 1.00 0.00 H new ATOM 117 N ASP A 8 10.476 10.849 6.754 1.00 0.00 N ATOM 118 CA ASP A 8 10.901 12.027 7.516 1.00 0.00 C ATOM 119 C ASP A 8 12.243 11.747 8.208 1.00 0.00 C ATOM 120 O ASP A 8 13.134 12.600 8.233 1.00 0.00 O ATOM 121 CB ASP A 8 9.841 12.402 8.555 1.00 0.00 C ATOM 122 CG ASP A 8 10.320 13.578 9.422 1.00 0.00 C ATOM 123 OD1 ASP A 8 10.294 14.733 8.942 1.00 0.00 O ATOM 124 OD2 ASP A 8 10.686 13.357 10.597 1.00 0.00 O ATOM 0 H ASP A 8 9.582 10.454 7.047 1.00 0.00 H new ATOM 0 HA ASP A 8 11.023 12.863 6.828 1.00 0.00 H new ATOM 0 HB2 ASP A 8 8.911 12.669 8.053 1.00 0.00 H new ATOM 0 HB3 ASP A 8 9.625 11.541 9.188 1.00 0.00 H new ATOM 129 N THR A 9 12.410 10.513 8.695 1.00 0.00 N ATOM 130 CA THR A 9 13.669 10.002 9.208 1.00 0.00 C ATOM 131 C THR A 9 14.730 9.964 8.103 1.00 0.00 C ATOM 132 O THR A 9 15.825 10.480 8.329 1.00 0.00 O ATOM 133 CB THR A 9 13.382 8.633 9.863 1.00 0.00 C ATOM 134 OG1 THR A 9 13.012 8.838 11.214 1.00 0.00 O ATOM 135 CG2 THR A 9 14.515 7.608 9.782 1.00 0.00 C ATOM 0 H THR A 9 11.652 9.833 8.741 1.00 0.00 H new ATOM 0 HA THR A 9 14.091 10.657 9.970 1.00 0.00 H new ATOM 0 HB THR A 9 12.572 8.193 9.282 1.00 0.00 H new ATOM 0 HG1 THR A 9 12.826 7.974 11.637 1.00 0.00 H new ATOM 0 HG21 THR A 9 14.206 6.685 10.273 1.00 0.00 H new ATOM 0 HG22 THR A 9 14.747 7.404 8.737 1.00 0.00 H new ATOM 0 HG23 THR A 9 15.400 8.004 10.279 1.00 0.00 H new ATOM 143 N ILE A 10 14.454 9.392 6.924 1.00 0.00 N ATOM 144 CA ILE A 10 15.463 9.276 5.866 1.00 0.00 C ATOM 145 C ILE A 10 15.930 10.669 5.438 1.00 0.00 C ATOM 146 O ILE A 10 17.139 10.893 5.371 1.00 0.00 O ATOM 147 CB ILE A 10 14.949 8.406 4.692 1.00 0.00 C ATOM 148 CG1 ILE A 10 14.918 6.931 5.152 1.00 0.00 C ATOM 149 CG2 ILE A 10 15.810 8.543 3.418 1.00 0.00 C ATOM 150 CD1 ILE A 10 14.155 6.002 4.205 1.00 0.00 C ATOM 0 H ILE A 10 13.543 9.004 6.680 1.00 0.00 H new ATOM 0 HA ILE A 10 16.337 8.753 6.253 1.00 0.00 H new ATOM 0 HB ILE A 10 13.951 8.755 4.428 1.00 0.00 H new ATOM 0 HG12 ILE A 10 15.942 6.570 5.252 1.00 0.00 H new ATOM 0 HG13 ILE A 10 14.463 6.879 6.141 1.00 0.00 H new ATOM 0 HG21 ILE A 10 15.399 7.910 2.632 1.00 0.00 H new ATOM 0 HG22 ILE A 10 15.807 9.581 3.087 1.00 0.00 H new ATOM 0 HG23 ILE A 10 16.833 8.235 3.635 1.00 0.00 H new ATOM 0 HD11 ILE A 10 14.178 4.985 4.596 1.00 0.00 H new ATOM 0 HD12 ILE A 10 13.121 6.336 4.123 1.00 0.00 H new ATOM 0 HD13 ILE A 10 14.622 6.023 3.220 1.00 0.00 H new ATOM 162 N LEU A 11 15.010 11.613 5.208 1.00 0.00 N ATOM 163 CA LEU A 11 15.379 12.960 4.782 1.00 0.00 C ATOM 164 C LEU A 11 16.268 13.619 5.822 1.00 0.00 C ATOM 165 O LEU A 11 17.323 14.138 5.473 1.00 0.00 O ATOM 166 CB LEU A 11 14.143 13.846 4.515 1.00 0.00 C ATOM 167 CG LEU A 11 13.765 14.025 3.033 1.00 0.00 C ATOM 168 CD1 LEU A 11 14.912 14.605 2.194 1.00 0.00 C ATOM 169 CD2 LEU A 11 13.268 12.723 2.407 1.00 0.00 C ATOM 0 H LEU A 11 14.006 11.465 5.311 1.00 0.00 H new ATOM 0 HA LEU A 11 15.925 12.860 3.844 1.00 0.00 H new ATOM 0 HB2 LEU A 11 13.290 13.417 5.041 1.00 0.00 H new ATOM 0 HB3 LEU A 11 14.322 14.830 4.948 1.00 0.00 H new ATOM 0 HG LEU A 11 12.949 14.747 3.026 1.00 0.00 H new ATOM 0 HD11 LEU A 11 14.589 14.709 1.158 1.00 0.00 H new ATOM 0 HD12 LEU A 11 15.192 15.582 2.587 1.00 0.00 H new ATOM 0 HD13 LEU A 11 15.771 13.936 2.240 1.00 0.00 H new ATOM 0 HD21 LEU A 11 13.013 12.896 1.362 1.00 0.00 H new ATOM 0 HD22 LEU A 11 14.051 11.967 2.469 1.00 0.00 H new ATOM 0 HD23 LEU A 11 12.385 12.375 2.943 1.00 0.00 H new ATOM 181 N SER A 12 15.873 13.584 7.091 1.00 0.00 N ATOM 182 CA SER A 12 16.630 14.221 8.158 1.00 0.00 C ATOM 183 C SER A 12 17.969 13.535 8.375 1.00 0.00 C ATOM 184 O SER A 12 18.959 14.221 8.616 1.00 0.00 O ATOM 185 CB SER A 12 15.802 14.237 9.451 1.00 0.00 C ATOM 186 OG SER A 12 14.497 14.744 9.223 1.00 0.00 O ATOM 0 H SER A 12 15.023 13.115 7.405 1.00 0.00 H new ATOM 0 HA SER A 12 16.839 15.249 7.864 1.00 0.00 H new ATOM 0 HB2 SER A 12 15.736 13.227 9.855 1.00 0.00 H new ATOM 0 HB3 SER A 12 16.306 14.848 10.200 1.00 0.00 H new ATOM 0 HG SER A 12 13.933 14.037 8.845 1.00 0.00 H new ATOM 192 N THR A 13 18.039 12.211 8.256 1.00 0.00 N ATOM 193 CA THR A 13 19.292 11.517 8.462 1.00 0.00 C ATOM 194 C THR A 13 20.257 11.839 7.321 1.00 0.00 C ATOM 195 O THR A 13 21.394 12.228 7.572 1.00 0.00 O ATOM 196 CB THR A 13 19.084 10.012 8.651 1.00 0.00 C ATOM 197 OG1 THR A 13 18.100 9.758 9.635 1.00 0.00 O ATOM 198 CG2 THR A 13 20.417 9.429 9.119 1.00 0.00 C ATOM 0 H THR A 13 17.249 11.610 8.021 1.00 0.00 H new ATOM 0 HA THR A 13 19.741 11.872 9.390 1.00 0.00 H new ATOM 0 HB THR A 13 18.751 9.563 7.715 1.00 0.00 H new ATOM 0 HG1 THR A 13 17.210 9.909 9.254 1.00 0.00 H new ATOM 0 HG21 THR A 13 20.312 8.354 9.266 1.00 0.00 H new ATOM 0 HG22 THR A 13 21.182 9.619 8.366 1.00 0.00 H new ATOM 0 HG23 THR A 13 20.709 9.897 10.059 1.00 0.00 H new ATOM 206 N LEU A 14 19.826 11.736 6.067 1.00 0.00 N ATOM 207 CA LEU A 14 20.702 12.053 4.944 1.00 0.00 C ATOM 208 C LEU A 14 21.059 13.539 4.958 1.00 0.00 C ATOM 209 O LEU A 14 22.215 13.864 4.726 1.00 0.00 O ATOM 210 CB LEU A 14 20.102 11.601 3.602 1.00 0.00 C ATOM 211 CG LEU A 14 20.476 10.144 3.255 1.00 0.00 C ATOM 212 CD1 LEU A 14 19.986 9.120 4.289 1.00 0.00 C ATOM 213 CD2 LEU A 14 19.903 9.767 1.888 1.00 0.00 C ATOM 0 H LEU A 14 18.886 11.439 5.805 1.00 0.00 H new ATOM 0 HA LEU A 14 21.628 11.489 5.059 1.00 0.00 H new ATOM 0 HB2 LEU A 14 19.017 11.696 3.641 1.00 0.00 H new ATOM 0 HB3 LEU A 14 20.451 12.262 2.809 1.00 0.00 H new ATOM 0 HG LEU A 14 21.565 10.109 3.250 1.00 0.00 H new ATOM 0 HD11 LEU A 14 20.285 8.119 3.979 1.00 0.00 H new ATOM 0 HD12 LEU A 14 20.425 9.346 5.261 1.00 0.00 H new ATOM 0 HD13 LEU A 14 18.900 9.168 4.362 1.00 0.00 H new ATOM 0 HD21 LEU A 14 20.172 8.737 1.652 1.00 0.00 H new ATOM 0 HD22 LEU A 14 18.817 9.862 1.910 1.00 0.00 H new ATOM 0 HD23 LEU A 14 20.311 10.432 1.127 1.00 0.00 H new ATOM 225 N ARG A 15 20.133 14.441 5.305 1.00 0.00 N ATOM 226 CA ARG A 15 20.454 15.864 5.439 1.00 0.00 C ATOM 227 C ARG A 15 21.467 16.106 6.557 1.00 0.00 C ATOM 228 O ARG A 15 22.369 16.918 6.358 1.00 0.00 O ATOM 229 CB ARG A 15 19.193 16.717 5.664 1.00 0.00 C ATOM 230 CG ARG A 15 18.375 16.935 4.379 1.00 0.00 C ATOM 231 CD ARG A 15 17.067 17.672 4.700 1.00 0.00 C ATOM 232 NE ARG A 15 16.249 17.892 3.492 1.00 0.00 N ATOM 233 CZ ARG A 15 14.929 18.137 3.471 1.00 0.00 C ATOM 234 NH1 ARG A 15 14.224 18.298 4.584 1.00 0.00 N ATOM 235 NH2 ARG A 15 14.269 18.211 2.326 1.00 0.00 N ATOM 0 H ARG A 15 19.158 14.210 5.497 1.00 0.00 H new ATOM 0 HA ARG A 15 20.904 16.174 4.496 1.00 0.00 H new ATOM 0 HB2 ARG A 15 18.563 16.234 6.411 1.00 0.00 H new ATOM 0 HB3 ARG A 15 19.484 17.685 6.071 1.00 0.00 H new ATOM 0 HG2 ARG A 15 18.959 17.511 3.661 1.00 0.00 H new ATOM 0 HG3 ARG A 15 18.155 15.975 3.913 1.00 0.00 H new ATOM 0 HD2 ARG A 15 16.494 17.095 5.426 1.00 0.00 H new ATOM 0 HD3 ARG A 15 17.295 18.632 5.164 1.00 0.00 H new ATOM 0 HE ARG A 15 16.729 17.855 2.593 1.00 0.00 H new ATOM 0 HH11 ARG A 15 14.684 18.237 5.492 1.00 0.00 H new ATOM 0 HH12 ARG A 15 13.222 18.483 4.531 1.00 0.00 H new ATOM 0 HH21 ARG A 15 14.763 18.081 1.443 1.00 0.00 H new ATOM 0 HH22 ARG A 15 13.266 18.398 2.327 1.00 0.00 H new ATOM 249 N MET A 16 21.355 15.440 7.714 1.00 0.00 N ATOM 250 CA MET A 16 22.276 15.717 8.825 1.00 0.00 C ATOM 251 C MET A 16 23.683 15.203 8.503 1.00 0.00 C ATOM 252 O MET A 16 24.682 15.778 8.933 1.00 0.00 O ATOM 253 CB MET A 16 21.757 15.174 10.173 1.00 0.00 C ATOM 254 CG MET A 16 21.861 13.661 10.356 1.00 0.00 C ATOM 255 SD MET A 16 21.393 13.022 11.991 1.00 0.00 S ATOM 256 CE MET A 16 19.635 13.468 12.064 1.00 0.00 C ATOM 0 H MET A 16 20.655 14.723 7.904 1.00 0.00 H new ATOM 0 HA MET A 16 22.331 16.800 8.940 1.00 0.00 H new ATOM 0 HB2 MET A 16 22.310 15.659 10.977 1.00 0.00 H new ATOM 0 HB3 MET A 16 20.712 15.465 10.284 1.00 0.00 H new ATOM 0 HG2 MET A 16 21.232 13.180 9.607 1.00 0.00 H new ATOM 0 HG3 MET A 16 22.888 13.360 10.151 1.00 0.00 H new ATOM 0 HE1 MET A 16 19.117 12.795 12.747 1.00 0.00 H new ATOM 0 HE2 MET A 16 19.534 14.494 12.419 1.00 0.00 H new ATOM 0 HE3 MET A 16 19.197 13.384 11.070 1.00 0.00 H new ATOM 266 N GLU A 17 23.750 14.106 7.752 1.00 0.00 N ATOM 267 CA GLU A 17 24.945 13.380 7.409 1.00 0.00 C ATOM 268 C GLU A 17 25.665 14.032 6.216 1.00 0.00 C ATOM 269 O GLU A 17 26.896 14.006 6.140 1.00 0.00 O ATOM 270 CB GLU A 17 24.358 12.008 7.084 1.00 0.00 C ATOM 271 CG GLU A 17 25.306 10.969 6.563 1.00 0.00 C ATOM 272 CD GLU A 17 26.088 10.244 7.669 1.00 0.00 C ATOM 273 OE1 GLU A 17 27.145 10.743 8.113 1.00 0.00 O ATOM 274 OE2 GLU A 17 25.636 9.151 8.085 1.00 0.00 O ATOM 0 H GLU A 17 22.914 13.684 7.348 1.00 0.00 H new ATOM 0 HA GLU A 17 25.714 13.349 8.181 1.00 0.00 H new ATOM 0 HB2 GLU A 17 23.890 11.617 7.987 1.00 0.00 H new ATOM 0 HB3 GLU A 17 23.566 12.144 6.348 1.00 0.00 H new ATOM 0 HG2 GLU A 17 24.746 10.235 5.984 1.00 0.00 H new ATOM 0 HG3 GLU A 17 26.012 11.442 5.880 1.00 0.00 H new ATOM 281 N ALA A 18 24.902 14.619 5.289 1.00 0.00 N ATOM 282 CA ALA A 18 25.394 15.199 4.057 1.00 0.00 C ATOM 283 C ALA A 18 26.260 16.436 4.289 1.00 0.00 C ATOM 284 O ALA A 18 26.164 17.141 5.296 1.00 0.00 O ATOM 285 CB ALA A 18 24.198 15.580 3.176 1.00 0.00 C ATOM 0 H ALA A 18 23.890 14.701 5.389 1.00 0.00 H new ATOM 0 HA ALA A 18 26.022 14.452 3.571 1.00 0.00 H new ATOM 0 HB1 ALA A 18 24.557 16.018 2.245 1.00 0.00 H new ATOM 0 HB2 ALA A 18 23.610 14.689 2.955 1.00 0.00 H new ATOM 0 HB3 ALA A 18 23.575 16.304 3.701 1.00 0.00 H new ATOM 291 N ASP A 19 27.084 16.698 3.280 1.00 0.00 N ATOM 292 CA ASP A 19 27.857 17.926 3.130 1.00 0.00 C ATOM 293 C ASP A 19 26.882 19.079 2.829 1.00 0.00 C ATOM 294 O ASP A 19 25.952 18.864 2.042 1.00 0.00 O ATOM 295 CB ASP A 19 28.821 17.727 1.958 1.00 0.00 C ATOM 296 CG ASP A 19 29.751 18.920 1.713 1.00 0.00 C ATOM 297 OD1 ASP A 19 29.263 19.996 1.304 1.00 0.00 O ATOM 298 OD2 ASP A 19 30.983 18.739 1.840 1.00 0.00 O ATOM 0 H ASP A 19 27.237 16.038 2.517 1.00 0.00 H new ATOM 0 HA ASP A 19 28.419 18.161 4.034 1.00 0.00 H new ATOM 0 HB2 ASP A 19 29.425 16.839 2.144 1.00 0.00 H new ATOM 0 HB3 ASP A 19 28.244 17.536 1.053 1.00 0.00 H new ATOM 303 N PRO A 20 27.060 20.287 3.395 1.00 0.00 N ATOM 304 CA PRO A 20 26.197 21.439 3.133 1.00 0.00 C ATOM 305 C PRO A 20 25.904 21.718 1.654 1.00 0.00 C ATOM 306 O PRO A 20 24.797 22.151 1.327 1.00 0.00 O ATOM 307 CB PRO A 20 26.891 22.630 3.797 1.00 0.00 C ATOM 308 CG PRO A 20 27.634 21.988 4.964 1.00 0.00 C ATOM 309 CD PRO A 20 28.054 20.630 4.403 1.00 0.00 C ATOM 0 HA PRO A 20 25.207 21.238 3.541 1.00 0.00 H new ATOM 0 HB2 PRO A 20 27.573 23.133 3.112 1.00 0.00 H new ATOM 0 HB3 PRO A 20 26.174 23.377 4.137 1.00 0.00 H new ATOM 0 HG2 PRO A 20 28.496 22.582 5.269 1.00 0.00 H new ATOM 0 HG3 PRO A 20 26.994 21.882 5.840 1.00 0.00 H new ATOM 0 HD2 PRO A 20 29.051 20.680 3.966 1.00 0.00 H new ATOM 0 HD3 PRO A 20 28.088 19.876 5.190 1.00 0.00 H new ATOM 317 N SER A 21 26.855 21.460 0.749 1.00 0.00 N ATOM 318 CA SER A 21 26.678 21.700 -0.681 1.00 0.00 C ATOM 319 C SER A 21 25.546 20.857 -1.292 1.00 0.00 C ATOM 320 O SER A 21 24.985 21.236 -2.321 1.00 0.00 O ATOM 321 CB SER A 21 28.010 21.466 -1.409 1.00 0.00 C ATOM 322 OG SER A 21 28.543 20.181 -1.151 1.00 0.00 O ATOM 0 H SER A 21 27.769 21.078 0.992 1.00 0.00 H new ATOM 0 HA SER A 21 26.375 22.739 -0.810 1.00 0.00 H new ATOM 0 HB2 SER A 21 27.861 21.587 -2.482 1.00 0.00 H new ATOM 0 HB3 SER A 21 28.729 22.224 -1.099 1.00 0.00 H new ATOM 0 HG SER A 21 29.055 20.201 -0.316 1.00 0.00 H new ATOM 328 N LEU A 22 25.193 19.728 -0.666 1.00 0.00 N ATOM 329 CA LEU A 22 24.189 18.794 -1.168 1.00 0.00 C ATOM 330 C LEU A 22 22.774 19.163 -0.703 1.00 0.00 C ATOM 331 O LEU A 22 21.806 18.642 -1.258 1.00 0.00 O ATOM 332 CB LEU A 22 24.518 17.374 -0.678 1.00 0.00 C ATOM 333 CG LEU A 22 25.849 16.774 -1.179 1.00 0.00 C ATOM 334 CD1 LEU A 22 26.121 15.456 -0.442 1.00 0.00 C ATOM 335 CD2 LEU A 22 25.844 16.510 -2.691 1.00 0.00 C ATOM 0 H LEU A 22 25.607 19.436 0.219 1.00 0.00 H new ATOM 0 HA LEU A 22 24.212 18.843 -2.257 1.00 0.00 H new ATOM 0 HB2 LEU A 22 24.534 17.382 0.412 1.00 0.00 H new ATOM 0 HB3 LEU A 22 23.707 16.711 -0.980 1.00 0.00 H new ATOM 0 HG LEU A 22 26.632 17.504 -0.974 1.00 0.00 H new ATOM 0 HD11 LEU A 22 27.060 15.030 -0.794 1.00 0.00 H new ATOM 0 HD12 LEU A 22 26.187 15.645 0.629 1.00 0.00 H new ATOM 0 HD13 LEU A 22 25.309 14.756 -0.637 1.00 0.00 H new ATOM 0 HD21 LEU A 22 26.804 16.088 -2.990 1.00 0.00 H new ATOM 0 HD22 LEU A 22 25.047 15.807 -2.935 1.00 0.00 H new ATOM 0 HD23 LEU A 22 25.678 17.447 -3.223 1.00 0.00 H new ATOM 347 N HIS A 23 22.634 20.028 0.310 1.00 0.00 N ATOM 348 CA HIS A 23 21.352 20.329 0.946 1.00 0.00 C ATOM 349 C HIS A 23 20.233 20.751 -0.023 1.00 0.00 C ATOM 350 O HIS A 23 19.140 20.193 0.107 1.00 0.00 O ATOM 351 CB HIS A 23 21.522 21.395 2.044 1.00 0.00 C ATOM 352 CG HIS A 23 22.274 20.974 3.289 1.00 0.00 C ATOM 353 ND1 HIS A 23 22.543 21.794 4.364 1.00 0.00 N ATOM 354 CD2 HIS A 23 22.753 19.728 3.609 1.00 0.00 C ATOM 355 CE1 HIS A 23 23.163 21.064 5.306 1.00 0.00 C ATOM 356 NE2 HIS A 23 23.320 19.795 4.888 1.00 0.00 N ATOM 0 H HIS A 23 23.418 20.542 0.713 1.00 0.00 H new ATOM 0 HA HIS A 23 21.029 19.384 1.383 1.00 0.00 H new ATOM 0 HB2 HIS A 23 22.036 22.252 1.609 1.00 0.00 H new ATOM 0 HB3 HIS A 23 20.531 21.736 2.344 1.00 0.00 H new ATOM 0 HD2 HIS A 23 22.702 18.849 2.983 1.00 0.00 H new ATOM 0 HE1 HIS A 23 23.489 21.442 6.263 1.00 0.00 H new ATOM 0 HE2 HIS A 23 23.764 19.033 5.401 1.00 0.00 H new ATOM 364 N PRO A 24 20.422 21.690 -0.978 1.00 0.00 N ATOM 365 CA PRO A 24 19.291 22.224 -1.733 1.00 0.00 C ATOM 366 C PRO A 24 18.619 21.172 -2.617 1.00 0.00 C ATOM 367 O PRO A 24 17.400 21.223 -2.786 1.00 0.00 O ATOM 368 CB PRO A 24 19.826 23.414 -2.536 1.00 0.00 C ATOM 369 CG PRO A 24 21.330 23.167 -2.612 1.00 0.00 C ATOM 370 CD PRO A 24 21.632 22.437 -1.306 1.00 0.00 C ATOM 0 HA PRO A 24 18.499 22.544 -1.056 1.00 0.00 H new ATOM 0 HB2 PRO A 24 19.379 23.458 -3.529 1.00 0.00 H new ATOM 0 HB3 PRO A 24 19.602 24.360 -2.043 1.00 0.00 H new ATOM 0 HG2 PRO A 24 21.595 22.564 -3.481 1.00 0.00 H new ATOM 0 HG3 PRO A 24 21.888 24.100 -2.689 1.00 0.00 H new ATOM 0 HD2 PRO A 24 22.485 21.768 -1.420 1.00 0.00 H new ATOM 0 HD3 PRO A 24 21.883 23.142 -0.513 1.00 0.00 H new ATOM 378 N LEU A 25 19.374 20.197 -3.142 1.00 0.00 N ATOM 379 CA LEU A 25 18.806 19.127 -3.971 1.00 0.00 C ATOM 380 C LEU A 25 17.719 18.374 -3.206 1.00 0.00 C ATOM 381 O LEU A 25 16.706 17.979 -3.793 1.00 0.00 O ATOM 382 CB LEU A 25 19.864 18.115 -4.455 1.00 0.00 C ATOM 383 CG LEU A 25 20.970 18.614 -5.406 1.00 0.00 C ATOM 384 CD1 LEU A 25 20.473 19.628 -6.443 1.00 0.00 C ATOM 385 CD2 LEU A 25 22.177 19.175 -4.651 1.00 0.00 C ATOM 0 H LEU A 25 20.383 20.128 -3.006 1.00 0.00 H new ATOM 0 HA LEU A 25 18.384 19.617 -4.848 1.00 0.00 H new ATOM 0 HB2 LEU A 25 20.348 17.693 -3.574 1.00 0.00 H new ATOM 0 HB3 LEU A 25 19.340 17.299 -4.953 1.00 0.00 H new ATOM 0 HG LEU A 25 21.289 17.726 -5.953 1.00 0.00 H new ATOM 0 HD11 LEU A 25 21.304 19.936 -7.078 1.00 0.00 H new ATOM 0 HD12 LEU A 25 19.697 19.170 -7.057 1.00 0.00 H new ATOM 0 HD13 LEU A 25 20.064 20.500 -5.932 1.00 0.00 H new ATOM 0 HD21 LEU A 25 22.928 19.513 -5.365 1.00 0.00 H new ATOM 0 HD22 LEU A 25 21.861 20.015 -4.032 1.00 0.00 H new ATOM 0 HD23 LEU A 25 22.603 18.397 -4.017 1.00 0.00 H new ATOM 397 N PHE A 26 17.904 18.194 -1.894 1.00 0.00 N ATOM 398 CA PHE A 26 16.970 17.428 -1.092 1.00 0.00 C ATOM 399 C PHE A 26 15.659 18.164 -0.836 1.00 0.00 C ATOM 400 O PHE A 26 14.708 17.523 -0.389 1.00 0.00 O ATOM 401 CB PHE A 26 17.610 16.913 0.211 1.00 0.00 C ATOM 402 CG PHE A 26 18.379 15.612 0.056 1.00 0.00 C ATOM 403 CD1 PHE A 26 17.779 14.518 -0.602 1.00 0.00 C ATOM 404 CD2 PHE A 26 19.675 15.471 0.588 1.00 0.00 C ATOM 405 CE1 PHE A 26 18.479 13.320 -0.795 1.00 0.00 C ATOM 406 CE2 PHE A 26 20.360 14.251 0.445 1.00 0.00 C ATOM 407 CZ PHE A 26 19.766 13.183 -0.254 1.00 0.00 C ATOM 0 H PHE A 26 18.695 18.572 -1.373 1.00 0.00 H new ATOM 0 HA PHE A 26 16.711 16.553 -1.688 1.00 0.00 H new ATOM 0 HB2 PHE A 26 18.285 17.677 0.598 1.00 0.00 H new ATOM 0 HB3 PHE A 26 16.827 16.773 0.956 1.00 0.00 H new ATOM 0 HD1 PHE A 26 16.765 14.605 -0.962 1.00 0.00 H new ATOM 0 HD2 PHE A 26 20.142 16.297 1.104 1.00 0.00 H new ATOM 0 HE1 PHE A 26 18.033 12.511 -1.354 1.00 0.00 H new ATOM 0 HE2 PHE A 26 21.345 14.133 0.873 1.00 0.00 H new ATOM 0 HZ PHE A 26 20.304 12.254 -0.374 1.00 0.00 H new ATOM 417 N GLU A 27 15.556 19.469 -1.097 1.00 0.00 N ATOM 418 CA GLU A 27 14.278 20.169 -0.987 1.00 0.00 C ATOM 419 C GLU A 27 13.345 19.696 -2.108 1.00 0.00 C ATOM 420 O GLU A 27 12.190 19.352 -1.848 1.00 0.00 O ATOM 421 CB GLU A 27 14.478 21.692 -1.037 1.00 0.00 C ATOM 422 CG GLU A 27 15.298 22.209 0.155 1.00 0.00 C ATOM 423 CD GLU A 27 15.330 23.747 0.193 1.00 0.00 C ATOM 424 OE1 GLU A 27 14.405 24.365 0.770 1.00 0.00 O ATOM 425 OE2 GLU A 27 16.288 24.360 -0.328 1.00 0.00 O ATOM 0 H GLU A 27 16.338 20.058 -1.384 1.00 0.00 H new ATOM 0 HA GLU A 27 13.823 19.936 -0.024 1.00 0.00 H new ATOM 0 HB2 GLU A 27 14.981 21.960 -1.966 1.00 0.00 H new ATOM 0 HB3 GLU A 27 13.506 22.184 -1.048 1.00 0.00 H new ATOM 0 HG2 GLU A 27 14.871 21.830 1.083 1.00 0.00 H new ATOM 0 HG3 GLU A 27 16.316 21.824 0.092 1.00 0.00 H new ATOM 432 N GLN A 28 13.857 19.608 -3.342 1.00 0.00 N ATOM 433 CA GLN A 28 13.060 19.152 -4.481 1.00 0.00 C ATOM 434 C GLN A 28 12.747 17.663 -4.324 1.00 0.00 C ATOM 435 O GLN A 28 11.627 17.246 -4.600 1.00 0.00 O ATOM 436 CB GLN A 28 13.770 19.410 -5.822 1.00 0.00 C ATOM 437 CG GLN A 28 13.828 20.893 -6.235 1.00 0.00 C ATOM 438 CD GLN A 28 14.705 21.729 -5.306 1.00 0.00 C ATOM 439 OE1 GLN A 28 14.239 22.646 -4.634 1.00 0.00 O ATOM 440 NE2 GLN A 28 15.981 21.393 -5.210 1.00 0.00 N ATOM 0 H GLN A 28 14.821 19.848 -3.574 1.00 0.00 H new ATOM 0 HA GLN A 28 12.132 19.724 -4.492 1.00 0.00 H new ATOM 0 HB2 GLN A 28 14.787 19.022 -5.762 1.00 0.00 H new ATOM 0 HB3 GLN A 28 13.260 18.847 -6.604 1.00 0.00 H new ATOM 0 HG2 GLN A 28 14.210 20.968 -7.253 1.00 0.00 H new ATOM 0 HG3 GLN A 28 12.818 21.304 -6.242 1.00 0.00 H new ATOM 0 HE21 GLN A 28 16.351 20.629 -5.775 1.00 0.00 H new ATOM 0 HE22 GLN A 28 16.595 21.898 -4.571 1.00 0.00 H new ATOM 449 N PHE A 29 13.709 16.876 -3.830 1.00 0.00 N ATOM 450 CA PHE A 29 13.520 15.451 -3.595 1.00 0.00 C ATOM 451 C PHE A 29 12.377 15.204 -2.598 1.00 0.00 C ATOM 452 O PHE A 29 11.463 14.435 -2.893 1.00 0.00 O ATOM 453 CB PHE A 29 14.840 14.887 -3.070 1.00 0.00 C ATOM 454 CG PHE A 29 14.827 13.414 -2.734 1.00 0.00 C ATOM 455 CD1 PHE A 29 15.046 12.456 -3.739 1.00 0.00 C ATOM 456 CD2 PHE A 29 14.614 13.002 -1.405 1.00 0.00 C ATOM 457 CE1 PHE A 29 15.003 11.089 -3.420 1.00 0.00 C ATOM 458 CE2 PHE A 29 14.633 11.639 -1.080 1.00 0.00 C ATOM 459 CZ PHE A 29 14.811 10.682 -2.090 1.00 0.00 C ATOM 0 H PHE A 29 14.639 17.215 -3.584 1.00 0.00 H new ATOM 0 HA PHE A 29 13.241 14.950 -4.522 1.00 0.00 H new ATOM 0 HB2 PHE A 29 15.614 15.065 -3.816 1.00 0.00 H new ATOM 0 HB3 PHE A 29 15.124 15.444 -2.177 1.00 0.00 H new ATOM 0 HD1 PHE A 29 15.247 12.770 -4.753 1.00 0.00 H new ATOM 0 HD2 PHE A 29 14.436 13.738 -0.635 1.00 0.00 H new ATOM 0 HE1 PHE A 29 15.118 10.350 -4.199 1.00 0.00 H new ATOM 0 HE2 PHE A 29 14.511 11.326 -0.054 1.00 0.00 H new ATOM 0 HZ PHE A 29 14.800 9.630 -1.844 1.00 0.00 H new ATOM 469 N GLU A 30 12.388 15.891 -1.447 1.00 0.00 N ATOM 470 CA GLU A 30 11.328 15.770 -0.446 1.00 0.00 C ATOM 471 C GLU A 30 9.977 16.095 -1.077 1.00 0.00 C ATOM 472 O GLU A 30 9.030 15.307 -0.992 1.00 0.00 O ATOM 473 CB GLU A 30 11.637 16.698 0.745 1.00 0.00 C ATOM 474 CG GLU A 30 10.410 16.967 1.635 1.00 0.00 C ATOM 475 CD GLU A 30 10.774 17.563 3.008 1.00 0.00 C ATOM 476 OE1 GLU A 30 11.670 18.436 3.087 1.00 0.00 O ATOM 477 OE2 GLU A 30 10.158 17.167 4.022 1.00 0.00 O ATOM 0 H GLU A 30 13.129 16.542 -1.188 1.00 0.00 H new ATOM 0 HA GLU A 30 11.283 14.746 -0.075 1.00 0.00 H new ATOM 0 HB2 GLU A 30 12.427 16.252 1.350 1.00 0.00 H new ATOM 0 HB3 GLU A 30 12.021 17.646 0.369 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.736 17.650 1.117 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.866 16.034 1.784 1.00 0.00 H new ATOM 484 N LYS A 31 9.909 17.255 -1.728 1.00 0.00 N ATOM 485 CA LYS A 31 8.683 17.764 -2.306 1.00 0.00 C ATOM 486 C LYS A 31 8.143 16.781 -3.333 1.00 0.00 C ATOM 487 O LYS A 31 6.997 16.356 -3.221 1.00 0.00 O ATOM 488 CB LYS A 31 9.017 19.118 -2.933 1.00 0.00 C ATOM 489 CG LYS A 31 7.880 19.762 -3.726 1.00 0.00 C ATOM 490 CD LYS A 31 8.530 20.899 -4.513 1.00 0.00 C ATOM 491 CE LYS A 31 7.549 21.599 -5.454 1.00 0.00 C ATOM 492 NZ LYS A 31 6.532 22.416 -4.742 1.00 0.00 N ATOM 0 H LYS A 31 10.713 17.867 -1.866 1.00 0.00 H new ATOM 0 HA LYS A 31 7.904 17.887 -1.553 1.00 0.00 H new ATOM 0 HB2 LYS A 31 9.321 19.803 -2.141 1.00 0.00 H new ATOM 0 HB3 LYS A 31 9.875 18.994 -3.593 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.409 19.041 -4.394 1.00 0.00 H new ATOM 0 HG3 LYS A 31 7.101 20.138 -3.062 1.00 0.00 H new ATOM 0 HD2 LYS A 31 8.943 21.629 -3.816 1.00 0.00 H new ATOM 0 HD3 LYS A 31 9.365 20.504 -5.092 1.00 0.00 H new ATOM 0 HE2 LYS A 31 8.106 22.240 -6.137 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.042 20.850 -6.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 5.899 22.863 -5.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 5.977 21.805 -4.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 7.008 23.152 -4.182 1.00 0.00 H new ATOM 506 N PHE A 32 8.939 16.424 -4.337 1.00 0.00 N ATOM 507 CA PHE A 32 8.442 15.612 -5.430 1.00 0.00 C ATOM 508 C PHE A 32 8.088 14.190 -5.006 1.00 0.00 C ATOM 509 O PHE A 32 7.153 13.649 -5.588 1.00 0.00 O ATOM 510 CB PHE A 32 9.375 15.679 -6.647 1.00 0.00 C ATOM 511 CG PHE A 32 9.386 17.051 -7.307 1.00 0.00 C ATOM 512 CD1 PHE A 32 8.172 17.687 -7.639 1.00 0.00 C ATOM 513 CD2 PHE A 32 10.602 17.706 -7.580 1.00 0.00 C ATOM 514 CE1 PHE A 32 8.166 18.983 -8.177 1.00 0.00 C ATOM 515 CE2 PHE A 32 10.600 18.999 -8.135 1.00 0.00 C ATOM 516 CZ PHE A 32 9.383 19.644 -8.425 1.00 0.00 C ATOM 0 H PHE A 32 9.922 16.684 -4.412 1.00 0.00 H new ATOM 0 HA PHE A 32 7.493 16.045 -5.746 1.00 0.00 H new ATOM 0 HB2 PHE A 32 10.388 15.422 -6.337 1.00 0.00 H new ATOM 0 HB3 PHE A 32 9.066 14.932 -7.378 1.00 0.00 H new ATOM 0 HD1 PHE A 32 7.237 17.171 -7.477 1.00 0.00 H new ATOM 0 HD2 PHE A 32 11.539 17.215 -7.363 1.00 0.00 H new ATOM 0 HE1 PHE A 32 7.229 19.472 -8.400 1.00 0.00 H new ATOM 0 HE2 PHE A 32 11.536 19.498 -8.339 1.00 0.00 H new ATOM 0 HZ PHE A 32 9.383 20.643 -8.836 1.00 0.00 H new ATOM 526 N TYR A 33 8.718 13.588 -3.990 1.00 0.00 N ATOM 527 CA TYR A 33 8.207 12.320 -3.469 1.00 0.00 C ATOM 528 C TYR A 33 6.824 12.532 -2.851 1.00 0.00 C ATOM 529 O TYR A 33 5.904 11.764 -3.139 1.00 0.00 O ATOM 530 CB TYR A 33 9.175 11.671 -2.473 1.00 0.00 C ATOM 531 CG TYR A 33 8.556 10.517 -1.700 1.00 0.00 C ATOM 532 CD1 TYR A 33 8.527 9.227 -2.263 1.00 0.00 C ATOM 533 CD2 TYR A 33 7.953 10.746 -0.447 1.00 0.00 C ATOM 534 CE1 TYR A 33 7.893 8.169 -1.586 1.00 0.00 C ATOM 535 CE2 TYR A 33 7.306 9.698 0.230 1.00 0.00 C ATOM 536 CZ TYR A 33 7.269 8.404 -0.339 1.00 0.00 C ATOM 537 OH TYR A 33 6.637 7.394 0.323 1.00 0.00 O ATOM 0 H TYR A 33 9.554 13.945 -3.527 1.00 0.00 H new ATOM 0 HA TYR A 33 8.116 11.624 -4.303 1.00 0.00 H new ATOM 0 HB2 TYR A 33 10.052 11.310 -3.011 1.00 0.00 H new ATOM 0 HB3 TYR A 33 9.522 12.427 -1.768 1.00 0.00 H new ATOM 0 HD1 TYR A 33 8.994 9.048 -3.220 1.00 0.00 H new ATOM 0 HD2 TYR A 33 7.988 11.731 -0.005 1.00 0.00 H new ATOM 0 HE1 TYR A 33 7.883 7.179 -2.018 1.00 0.00 H new ATOM 0 HE2 TYR A 33 6.837 9.881 1.185 1.00 0.00 H new ATOM 0 HH TYR A 33 6.266 7.735 1.163 1.00 0.00 H new ATOM 547 N GLU A 34 6.653 13.588 -2.050 1.00 0.00 N ATOM 548 CA GLU A 34 5.381 13.860 -1.394 1.00 0.00 C ATOM 549 C GLU A 34 4.277 14.122 -2.426 1.00 0.00 C ATOM 550 O GLU A 34 3.157 13.641 -2.264 1.00 0.00 O ATOM 551 CB GLU A 34 5.560 14.997 -0.379 1.00 0.00 C ATOM 552 CG GLU A 34 4.311 15.220 0.483 1.00 0.00 C ATOM 553 CD GLU A 34 4.625 16.110 1.698 1.00 0.00 C ATOM 554 OE1 GLU A 34 5.191 15.599 2.692 1.00 0.00 O ATOM 555 OE2 GLU A 34 4.295 17.318 1.673 1.00 0.00 O ATOM 0 H GLU A 34 7.385 14.267 -1.843 1.00 0.00 H new ATOM 0 HA GLU A 34 5.054 12.983 -0.835 1.00 0.00 H new ATOM 0 HB2 GLU A 34 6.408 14.772 0.268 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.800 15.918 -0.910 1.00 0.00 H new ATOM 0 HG2 GLU A 34 3.529 15.684 -0.118 1.00 0.00 H new ATOM 0 HG3 GLU A 34 3.924 14.259 0.823 1.00 0.00 H new ATOM 562 N GLU A 35 4.611 14.801 -3.524 1.00 0.00 N ATOM 563 CA GLU A 35 3.719 15.111 -4.640 1.00 0.00 C ATOM 564 C GLU A 35 3.546 13.927 -5.612 1.00 0.00 C ATOM 565 O GLU A 35 2.876 14.079 -6.635 1.00 0.00 O ATOM 566 CB GLU A 35 4.263 16.344 -5.386 1.00 0.00 C ATOM 567 CG GLU A 35 4.211 17.630 -4.548 1.00 0.00 C ATOM 568 CD GLU A 35 2.780 18.178 -4.406 1.00 0.00 C ATOM 569 OE1 GLU A 35 2.326 18.938 -5.293 1.00 0.00 O ATOM 570 OE2 GLU A 35 2.099 17.877 -3.401 1.00 0.00 O ATOM 0 H GLU A 35 5.553 15.166 -3.665 1.00 0.00 H new ATOM 0 HA GLU A 35 2.730 15.320 -4.232 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.294 16.154 -5.685 1.00 0.00 H new ATOM 0 HB3 GLU A 35 3.688 16.490 -6.300 1.00 0.00 H new ATOM 0 HG2 GLU A 35 4.622 17.432 -3.558 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.844 18.388 -5.010 1.00 0.00 H new ATOM 577 N LYS A 36 4.130 12.755 -5.318 1.00 0.00 N ATOM 578 CA LYS A 36 4.085 11.548 -6.162 1.00 0.00 C ATOM 579 C LYS A 36 4.719 11.786 -7.548 1.00 0.00 C ATOM 580 O LYS A 36 4.436 11.071 -8.510 1.00 0.00 O ATOM 581 CB LYS A 36 2.630 11.023 -6.208 1.00 0.00 C ATOM 582 CG LYS A 36 2.476 9.554 -6.630 1.00 0.00 C ATOM 583 CD LYS A 36 0.993 9.154 -6.668 1.00 0.00 C ATOM 584 CE LYS A 36 0.824 7.724 -7.201 1.00 0.00 C ATOM 585 NZ LYS A 36 -0.602 7.317 -7.274 1.00 0.00 N ATOM 0 H LYS A 36 4.663 12.616 -4.460 1.00 0.00 H new ATOM 0 HA LYS A 36 4.702 10.764 -5.723 1.00 0.00 H new ATOM 0 HB2 LYS A 36 2.184 11.149 -5.221 1.00 0.00 H new ATOM 0 HB3 LYS A 36 2.059 11.644 -6.898 1.00 0.00 H new ATOM 0 HG2 LYS A 36 2.924 9.403 -7.612 1.00 0.00 H new ATOM 0 HG3 LYS A 36 3.014 8.912 -5.933 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.567 9.226 -5.667 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.441 9.849 -7.300 1.00 0.00 H new ATOM 0 HE2 LYS A 36 1.272 7.652 -8.192 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.365 7.032 -6.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -0.667 6.345 -7.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -1.024 7.359 -6.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -1.115 7.961 -7.910 1.00 0.00 H new ATOM 599 N LEU A 37 5.588 12.790 -7.684 1.00 0.00 N ATOM 600 CA LEU A 37 6.216 13.197 -8.932 1.00 0.00 C ATOM 601 C LEU A 37 7.526 12.434 -9.131 1.00 0.00 C ATOM 602 O LEU A 37 8.607 13.020 -9.183 1.00 0.00 O ATOM 603 CB LEU A 37 6.349 14.739 -8.991 1.00 0.00 C ATOM 604 CG LEU A 37 5.475 15.391 -10.075 1.00 0.00 C ATOM 605 CD1 LEU A 37 5.764 14.831 -11.476 1.00 0.00 C ATOM 606 CD2 LEU A 37 3.992 15.278 -9.731 1.00 0.00 C ATOM 0 H LEU A 37 5.882 13.362 -6.892 1.00 0.00 H new ATOM 0 HA LEU A 37 5.587 12.930 -9.781 1.00 0.00 H new ATOM 0 HB2 LEU A 37 6.081 15.156 -8.020 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.392 14.999 -9.172 1.00 0.00 H new ATOM 0 HG LEU A 37 5.738 16.448 -10.098 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.121 15.324 -12.205 1.00 0.00 H new ATOM 0 HD12 LEU A 37 6.808 15.012 -11.732 1.00 0.00 H new ATOM 0 HD13 LEU A 37 5.569 13.759 -11.487 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.400 15.748 -10.516 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.717 14.227 -9.649 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.799 15.779 -8.782 1.00 0.00 H new ATOM 618 N TRP A 38 7.417 11.109 -9.228 1.00 0.00 N ATOM 619 CA TRP A 38 8.546 10.181 -9.359 1.00 0.00 C ATOM 620 C TRP A 38 9.608 10.634 -10.378 1.00 0.00 C ATOM 621 O TRP A 38 10.803 10.420 -10.169 1.00 0.00 O ATOM 622 CB TRP A 38 8.055 8.779 -9.750 1.00 0.00 C ATOM 623 CG TRP A 38 6.806 8.241 -9.115 1.00 0.00 C ATOM 624 CD1 TRP A 38 5.698 7.871 -9.793 1.00 0.00 C ATOM 625 CD2 TRP A 38 6.536 7.918 -7.716 1.00 0.00 C ATOM 626 NE1 TRP A 38 4.771 7.334 -8.925 1.00 0.00 N ATOM 627 CE2 TRP A 38 5.246 7.311 -7.631 1.00 0.00 C ATOM 628 CE3 TRP A 38 7.258 8.049 -6.511 1.00 0.00 C ATOM 629 CZ2 TRP A 38 4.714 6.836 -6.423 1.00 0.00 C ATOM 630 CZ3 TRP A 38 6.721 7.602 -5.288 1.00 0.00 C ATOM 631 CH2 TRP A 38 5.456 6.992 -5.240 1.00 0.00 C ATOM 0 H TRP A 38 6.514 10.635 -9.217 1.00 0.00 H new ATOM 0 HA TRP A 38 9.020 10.164 -8.378 1.00 0.00 H new ATOM 0 HB2 TRP A 38 7.904 8.773 -10.829 1.00 0.00 H new ATOM 0 HB3 TRP A 38 8.861 8.077 -9.537 1.00 0.00 H new ATOM 0 HD1 TRP A 38 5.559 7.980 -10.858 1.00 0.00 H new ATOM 0 HE1 TRP A 38 3.850 6.996 -9.205 1.00 0.00 H new ATOM 0 HE3 TRP A 38 8.239 8.500 -6.527 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 3.746 6.357 -6.403 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 7.288 7.729 -4.377 1.00 0.00 H new ATOM 0 HH2 TRP A 38 5.056 6.645 -4.299 1.00 0.00 H new ATOM 642 N PHE A 39 9.193 11.259 -11.483 1.00 0.00 N ATOM 643 CA PHE A 39 10.110 11.663 -12.543 1.00 0.00 C ATOM 644 C PHE A 39 10.992 12.840 -12.101 1.00 0.00 C ATOM 645 O PHE A 39 12.208 12.791 -12.272 1.00 0.00 O ATOM 646 CB PHE A 39 9.309 11.988 -13.815 1.00 0.00 C ATOM 647 CG PHE A 39 8.206 10.991 -14.150 1.00 0.00 C ATOM 648 CD1 PHE A 39 8.479 9.608 -14.234 1.00 0.00 C ATOM 649 CD2 PHE A 39 6.885 11.445 -14.339 1.00 0.00 C ATOM 650 CE1 PHE A 39 7.443 8.697 -14.505 1.00 0.00 C ATOM 651 CE2 PHE A 39 5.851 10.532 -14.610 1.00 0.00 C ATOM 652 CZ PHE A 39 6.128 9.157 -14.694 1.00 0.00 C ATOM 0 H PHE A 39 8.218 11.496 -11.664 1.00 0.00 H new ATOM 0 HA PHE A 39 10.787 10.838 -12.764 1.00 0.00 H new ATOM 0 HB2 PHE A 39 8.864 12.977 -13.704 1.00 0.00 H new ATOM 0 HB3 PHE A 39 9.999 12.042 -14.657 1.00 0.00 H new ATOM 0 HD1 PHE A 39 9.487 9.249 -14.090 1.00 0.00 H new ATOM 0 HD2 PHE A 39 6.666 12.501 -14.275 1.00 0.00 H new ATOM 0 HE1 PHE A 39 7.658 7.641 -14.568 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.842 10.888 -14.754 1.00 0.00 H new ATOM 0 HZ PHE A 39 5.333 8.456 -14.903 1.00 0.00 H new ATOM 662 N GLN A 40 10.418 13.882 -11.486 1.00 0.00 N ATOM 663 CA GLN A 40 11.195 15.030 -10.994 1.00 0.00 C ATOM 664 C GLN A 40 11.928 14.670 -9.697 1.00 0.00 C ATOM 665 O GLN A 40 12.999 15.194 -9.397 1.00 0.00 O ATOM 666 CB GLN A 40 10.287 16.249 -10.781 1.00 0.00 C ATOM 667 CG GLN A 40 9.588 16.661 -12.086 1.00 0.00 C ATOM 668 CD GLN A 40 8.771 17.942 -11.937 1.00 0.00 C ATOM 669 OE1 GLN A 40 8.988 18.931 -12.631 1.00 0.00 O ATOM 670 NE2 GLN A 40 7.799 17.942 -11.042 1.00 0.00 N ATOM 0 H GLN A 40 9.415 13.955 -11.316 1.00 0.00 H new ATOM 0 HA GLN A 40 11.939 15.286 -11.748 1.00 0.00 H new ATOM 0 HB2 GLN A 40 9.539 16.019 -10.022 1.00 0.00 H new ATOM 0 HB3 GLN A 40 10.878 17.084 -10.404 1.00 0.00 H new ATOM 0 HG2 GLN A 40 10.337 16.801 -12.866 1.00 0.00 H new ATOM 0 HG3 GLN A 40 8.933 15.853 -12.414 1.00 0.00 H new ATOM 0 HE21 GLN A 40 7.630 17.113 -10.472 1.00 0.00 H new ATOM 0 HE22 GLN A 40 7.217 18.771 -10.921 1.00 0.00 H new ATOM 679 N LEU A 41 11.375 13.733 -8.936 1.00 0.00 N ATOM 680 CA LEU A 41 12.046 13.121 -7.802 1.00 0.00 C ATOM 681 C LEU A 41 13.344 12.454 -8.280 1.00 0.00 C ATOM 682 O LEU A 41 14.398 12.637 -7.669 1.00 0.00 O ATOM 683 CB LEU A 41 11.047 12.130 -7.201 1.00 0.00 C ATOM 684 CG LEU A 41 11.603 11.191 -6.125 1.00 0.00 C ATOM 685 CD1 LEU A 41 12.024 11.994 -4.904 1.00 0.00 C ATOM 686 CD2 LEU A 41 10.512 10.184 -5.759 1.00 0.00 C ATOM 0 H LEU A 41 10.434 13.374 -9.094 1.00 0.00 H new ATOM 0 HA LEU A 41 12.340 13.842 -7.039 1.00 0.00 H new ATOM 0 HB2 LEU A 41 10.219 12.694 -6.772 1.00 0.00 H new ATOM 0 HB3 LEU A 41 10.636 11.524 -8.008 1.00 0.00 H new ATOM 0 HG LEU A 41 12.480 10.662 -6.498 1.00 0.00 H new ATOM 0 HD11 LEU A 41 12.418 11.320 -4.143 1.00 0.00 H new ATOM 0 HD12 LEU A 41 12.794 12.711 -5.188 1.00 0.00 H new ATOM 0 HD13 LEU A 41 11.162 12.527 -4.504 1.00 0.00 H new ATOM 0 HD21 LEU A 41 10.886 9.504 -4.993 1.00 0.00 H new ATOM 0 HD22 LEU A 41 9.640 10.715 -5.378 1.00 0.00 H new ATOM 0 HD23 LEU A 41 10.231 9.614 -6.645 1.00 0.00 H new ATOM 698 N SER A 42 13.291 11.743 -9.410 1.00 0.00 N ATOM 699 CA SER A 42 14.473 11.180 -10.046 1.00 0.00 C ATOM 700 C SER A 42 15.384 12.273 -10.615 1.00 0.00 C ATOM 701 O SER A 42 16.603 12.136 -10.527 1.00 0.00 O ATOM 702 CB SER A 42 14.063 10.175 -11.128 1.00 0.00 C ATOM 703 OG SER A 42 13.202 9.191 -10.588 1.00 0.00 O ATOM 0 H SER A 42 12.422 11.544 -9.906 1.00 0.00 H new ATOM 0 HA SER A 42 15.049 10.652 -9.286 1.00 0.00 H new ATOM 0 HB2 SER A 42 13.564 10.695 -11.945 1.00 0.00 H new ATOM 0 HB3 SER A 42 14.950 9.700 -11.547 1.00 0.00 H new ATOM 0 HG SER A 42 12.294 9.552 -10.521 1.00 0.00 H new ATOM 709 N GLU A 43 14.864 13.387 -11.151 1.00 0.00 N ATOM 710 CA GLU A 43 15.742 14.479 -11.584 1.00 0.00 C ATOM 711 C GLU A 43 16.494 15.073 -10.385 1.00 0.00 C ATOM 712 O GLU A 43 17.669 15.417 -10.507 1.00 0.00 O ATOM 713 CB GLU A 43 15.025 15.529 -12.460 1.00 0.00 C ATOM 714 CG GLU A 43 14.608 16.859 -11.803 1.00 0.00 C ATOM 715 CD GLU A 43 14.338 17.941 -12.858 1.00 0.00 C ATOM 716 OE1 GLU A 43 13.228 17.984 -13.434 1.00 0.00 O ATOM 717 OE2 GLU A 43 15.249 18.763 -13.107 1.00 0.00 O ATOM 0 H GLU A 43 13.867 13.552 -11.292 1.00 0.00 H new ATOM 0 HA GLU A 43 16.493 14.056 -12.251 1.00 0.00 H new ATOM 0 HB2 GLU A 43 15.677 15.763 -13.301 1.00 0.00 H new ATOM 0 HB3 GLU A 43 14.129 15.065 -12.871 1.00 0.00 H new ATOM 0 HG2 GLU A 43 13.713 16.705 -11.200 1.00 0.00 H new ATOM 0 HG3 GLU A 43 15.394 17.195 -11.127 1.00 0.00 H new ATOM 724 N SER A 44 15.850 15.135 -9.218 1.00 0.00 N ATOM 725 CA SER A 44 16.480 15.596 -7.986 1.00 0.00 C ATOM 726 C SER A 44 17.626 14.651 -7.597 1.00 0.00 C ATOM 727 O SER A 44 18.738 15.113 -7.338 1.00 0.00 O ATOM 728 CB SER A 44 15.432 15.720 -6.870 1.00 0.00 C ATOM 729 OG SER A 44 14.309 16.482 -7.287 1.00 0.00 O ATOM 0 H SER A 44 14.873 14.865 -9.104 1.00 0.00 H new ATOM 0 HA SER A 44 16.908 16.586 -8.143 1.00 0.00 H new ATOM 0 HB2 SER A 44 15.105 14.726 -6.566 1.00 0.00 H new ATOM 0 HB3 SER A 44 15.885 16.188 -5.996 1.00 0.00 H new ATOM 0 HG SER A 44 13.804 15.979 -7.960 1.00 0.00 H new ATOM 735 N LEU A 45 17.393 13.331 -7.640 1.00 0.00 N ATOM 736 CA LEU A 45 18.458 12.336 -7.482 1.00 0.00 C ATOM 737 C LEU A 45 19.546 12.474 -8.543 1.00 0.00 C ATOM 738 O LEU A 45 20.707 12.228 -8.236 1.00 0.00 O ATOM 739 CB LEU A 45 17.926 10.893 -7.519 1.00 0.00 C ATOM 740 CG LEU A 45 17.159 10.453 -6.264 1.00 0.00 C ATOM 741 CD1 LEU A 45 16.732 8.992 -6.427 1.00 0.00 C ATOM 742 CD2 LEU A 45 18.011 10.608 -4.991 1.00 0.00 C ATOM 0 H LEU A 45 16.467 12.928 -7.784 1.00 0.00 H new ATOM 0 HA LEU A 45 18.885 12.537 -6.499 1.00 0.00 H new ATOM 0 HB2 LEU A 45 17.271 10.785 -8.384 1.00 0.00 H new ATOM 0 HB3 LEU A 45 18.766 10.215 -7.669 1.00 0.00 H new ATOM 0 HG LEU A 45 16.284 11.094 -6.154 1.00 0.00 H new ATOM 0 HD11 LEU A 45 16.186 8.671 -5.540 1.00 0.00 H new ATOM 0 HD12 LEU A 45 16.090 8.896 -7.302 1.00 0.00 H new ATOM 0 HD13 LEU A 45 17.616 8.367 -6.555 1.00 0.00 H new ATOM 0 HD21 LEU A 45 17.433 10.286 -4.125 1.00 0.00 H new ATOM 0 HD22 LEU A 45 18.908 9.995 -5.077 1.00 0.00 H new ATOM 0 HD23 LEU A 45 18.296 11.653 -4.869 1.00 0.00 H new ATOM 754 N THR A 46 19.213 12.870 -9.767 1.00 0.00 N ATOM 755 CA THR A 46 20.194 13.034 -10.829 1.00 0.00 C ATOM 756 C THR A 46 21.077 14.254 -10.538 1.00 0.00 C ATOM 757 O THR A 46 22.302 14.158 -10.610 1.00 0.00 O ATOM 758 CB THR A 46 19.469 13.113 -12.183 1.00 0.00 C ATOM 759 OG1 THR A 46 18.639 11.975 -12.343 1.00 0.00 O ATOM 760 CG2 THR A 46 20.448 13.156 -13.358 1.00 0.00 C ATOM 0 H THR A 46 18.257 13.086 -10.049 1.00 0.00 H new ATOM 0 HA THR A 46 20.862 12.174 -10.875 1.00 0.00 H new ATOM 0 HB THR A 46 18.884 14.033 -12.183 1.00 0.00 H new ATOM 0 HG1 THR A 46 17.868 12.046 -11.742 1.00 0.00 H new ATOM 0 HG21 THR A 46 19.891 13.211 -14.294 1.00 0.00 H new ATOM 0 HG22 THR A 46 21.090 14.032 -13.265 1.00 0.00 H new ATOM 0 HG23 THR A 46 21.061 12.255 -13.354 1.00 0.00 H new ATOM 768 N LYS A 47 20.499 15.393 -10.141 1.00 0.00 N ATOM 769 CA LYS A 47 21.275 16.573 -9.761 1.00 0.00 C ATOM 770 C LYS A 47 22.110 16.298 -8.508 1.00 0.00 C ATOM 771 O LYS A 47 23.236 16.779 -8.412 1.00 0.00 O ATOM 772 CB LYS A 47 20.330 17.766 -9.558 1.00 0.00 C ATOM 773 CG LYS A 47 19.800 18.310 -10.895 1.00 0.00 C ATOM 774 CD LYS A 47 18.739 19.403 -10.688 1.00 0.00 C ATOM 775 CE LYS A 47 18.503 20.242 -11.955 1.00 0.00 C ATOM 776 NZ LYS A 47 17.924 19.474 -13.087 1.00 0.00 N ATOM 0 H LYS A 47 19.489 15.520 -10.075 1.00 0.00 H new ATOM 0 HA LYS A 47 21.972 16.816 -10.563 1.00 0.00 H new ATOM 0 HB2 LYS A 47 19.491 17.463 -8.931 1.00 0.00 H new ATOM 0 HB3 LYS A 47 20.855 18.559 -9.026 1.00 0.00 H new ATOM 0 HG2 LYS A 47 20.629 18.714 -11.477 1.00 0.00 H new ATOM 0 HG3 LYS A 47 19.371 17.493 -11.475 1.00 0.00 H new ATOM 0 HD2 LYS A 47 17.800 18.941 -10.382 1.00 0.00 H new ATOM 0 HD3 LYS A 47 19.051 20.058 -9.875 1.00 0.00 H new ATOM 0 HE2 LYS A 47 17.837 21.070 -11.712 1.00 0.00 H new ATOM 0 HE3 LYS A 47 19.450 20.678 -12.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 17.872 20.082 -13.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 18.525 18.650 -13.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 16.968 19.151 -12.834 1.00 0.00 H new ATOM 790 N PHE A 48 21.587 15.506 -7.570 1.00 0.00 N ATOM 791 CA PHE A 48 22.328 15.043 -6.401 1.00 0.00 C ATOM 792 C PHE A 48 23.528 14.196 -6.852 1.00 0.00 C ATOM 793 O PHE A 48 24.661 14.512 -6.497 1.00 0.00 O ATOM 794 CB PHE A 48 21.332 14.291 -5.502 1.00 0.00 C ATOM 795 CG PHE A 48 21.840 13.711 -4.198 1.00 0.00 C ATOM 796 CD1 PHE A 48 22.401 14.548 -3.217 1.00 0.00 C ATOM 797 CD2 PHE A 48 21.619 12.348 -3.910 1.00 0.00 C ATOM 798 CE1 PHE A 48 22.766 14.016 -1.968 1.00 0.00 C ATOM 799 CE2 PHE A 48 21.970 11.828 -2.652 1.00 0.00 C ATOM 800 CZ PHE A 48 22.564 12.657 -1.690 1.00 0.00 C ATOM 0 H PHE A 48 20.626 15.166 -7.604 1.00 0.00 H new ATOM 0 HA PHE A 48 22.753 15.863 -5.822 1.00 0.00 H new ATOM 0 HB2 PHE A 48 20.515 14.973 -5.267 1.00 0.00 H new ATOM 0 HB3 PHE A 48 20.907 13.475 -6.086 1.00 0.00 H new ATOM 0 HD1 PHE A 48 22.551 15.598 -3.423 1.00 0.00 H new ATOM 0 HD2 PHE A 48 21.180 11.703 -4.657 1.00 0.00 H new ATOM 0 HE1 PHE A 48 23.205 14.658 -1.218 1.00 0.00 H new ATOM 0 HE2 PHE A 48 21.782 10.789 -2.426 1.00 0.00 H new ATOM 0 HZ PHE A 48 22.865 12.249 -0.736 1.00 0.00 H new ATOM 810 N PHE A 49 23.291 13.194 -7.708 1.00 0.00 N ATOM 811 CA PHE A 49 24.307 12.301 -8.263 1.00 0.00 C ATOM 812 C PHE A 49 25.412 13.061 -9.008 1.00 0.00 C ATOM 813 O PHE A 49 26.563 12.622 -8.998 1.00 0.00 O ATOM 814 CB PHE A 49 23.618 11.275 -9.187 1.00 0.00 C ATOM 815 CG PHE A 49 24.538 10.422 -10.046 1.00 0.00 C ATOM 816 CD1 PHE A 49 25.047 10.930 -11.259 1.00 0.00 C ATOM 817 CD2 PHE A 49 24.877 9.115 -9.651 1.00 0.00 C ATOM 818 CE1 PHE A 49 25.929 10.159 -12.037 1.00 0.00 C ATOM 819 CE2 PHE A 49 25.734 8.333 -10.443 1.00 0.00 C ATOM 820 CZ PHE A 49 26.272 8.858 -11.631 1.00 0.00 C ATOM 0 H PHE A 49 22.352 12.978 -8.043 1.00 0.00 H new ATOM 0 HA PHE A 49 24.799 11.785 -7.439 1.00 0.00 H new ATOM 0 HB2 PHE A 49 23.012 10.611 -8.570 1.00 0.00 H new ATOM 0 HB3 PHE A 49 22.934 11.811 -9.845 1.00 0.00 H new ATOM 0 HD1 PHE A 49 24.758 11.916 -11.592 1.00 0.00 H new ATOM 0 HD2 PHE A 49 24.476 8.710 -8.733 1.00 0.00 H new ATOM 0 HE1 PHE A 49 26.343 10.567 -12.947 1.00 0.00 H new ATOM 0 HE2 PHE A 49 25.980 7.326 -10.139 1.00 0.00 H new ATOM 0 HZ PHE A 49 26.946 8.264 -12.230 1.00 0.00 H new ATOM 830 N ASP A 50 25.081 14.188 -9.650 1.00 0.00 N ATOM 831 CA ASP A 50 26.035 14.982 -10.424 1.00 0.00 C ATOM 832 C ASP A 50 27.181 15.522 -9.559 1.00 0.00 C ATOM 833 O ASP A 50 28.251 15.832 -10.087 1.00 0.00 O ATOM 834 CB ASP A 50 25.313 16.130 -11.141 1.00 0.00 C ATOM 835 CG ASP A 50 26.273 16.935 -12.033 1.00 0.00 C ATOM 836 OD1 ASP A 50 26.737 16.401 -13.067 1.00 0.00 O ATOM 837 OD2 ASP A 50 26.529 18.125 -11.740 1.00 0.00 O ATOM 0 H ASP A 50 24.137 14.575 -9.645 1.00 0.00 H new ATOM 0 HA ASP A 50 26.481 14.320 -11.167 1.00 0.00 H new ATOM 0 HB2 ASP A 50 24.503 15.727 -11.749 1.00 0.00 H new ATOM 0 HB3 ASP A 50 24.860 16.792 -10.403 1.00 0.00 H new ATOM 842 N ASP A 51 27.000 15.586 -8.235 1.00 0.00 N ATOM 843 CA ASP A 51 28.068 15.872 -7.286 1.00 0.00 C ATOM 844 C ASP A 51 28.411 14.562 -6.580 1.00 0.00 C ATOM 845 O ASP A 51 27.609 14.035 -5.802 1.00 0.00 O ATOM 846 CB ASP A 51 27.656 16.961 -6.287 1.00 0.00 C ATOM 847 CG ASP A 51 28.839 17.406 -5.404 1.00 0.00 C ATOM 848 OD1 ASP A 51 29.774 16.611 -5.162 1.00 0.00 O ATOM 849 OD2 ASP A 51 28.842 18.581 -4.974 1.00 0.00 O ATOM 0 H ASP A 51 26.093 15.438 -7.792 1.00 0.00 H new ATOM 0 HA ASP A 51 28.943 16.260 -7.807 1.00 0.00 H new ATOM 0 HB2 ASP A 51 27.263 17.821 -6.829 1.00 0.00 H new ATOM 0 HB3 ASP A 51 26.851 16.588 -5.654 1.00 0.00 H new ATOM 854 N ALA A 52 29.602 14.025 -6.857 1.00 0.00 N ATOM 855 CA ALA A 52 30.069 12.754 -6.311 1.00 0.00 C ATOM 856 C ALA A 52 30.113 12.727 -4.775 1.00 0.00 C ATOM 857 O ALA A 52 30.183 11.643 -4.198 1.00 0.00 O ATOM 858 CB ALA A 52 31.447 12.422 -6.895 1.00 0.00 C ATOM 0 H ALA A 52 30.278 14.471 -7.477 1.00 0.00 H new ATOM 0 HA ALA A 52 29.344 11.994 -6.603 1.00 0.00 H new ATOM 0 HB1 ALA A 52 31.796 11.473 -6.487 1.00 0.00 H new ATOM 0 HB2 ALA A 52 31.374 12.346 -7.980 1.00 0.00 H new ATOM 0 HB3 ALA A 52 32.153 13.211 -6.633 1.00 0.00 H new ATOM 864 N LYS A 53 30.035 13.875 -4.088 1.00 0.00 N ATOM 865 CA LYS A 53 29.884 13.922 -2.632 1.00 0.00 C ATOM 866 C LYS A 53 28.652 13.123 -2.175 1.00 0.00 C ATOM 867 O LYS A 53 28.656 12.593 -1.065 1.00 0.00 O ATOM 868 CB LYS A 53 29.844 15.399 -2.199 1.00 0.00 C ATOM 869 CG LYS A 53 29.879 15.674 -0.688 1.00 0.00 C ATOM 870 CD LYS A 53 31.181 15.297 0.032 1.00 0.00 C ATOM 871 CE LYS A 53 32.436 16.056 -0.434 1.00 0.00 C ATOM 872 NZ LYS A 53 32.321 17.534 -0.307 1.00 0.00 N ATOM 0 H LYS A 53 30.075 14.794 -4.528 1.00 0.00 H new ATOM 0 HA LYS A 53 30.733 13.444 -2.144 1.00 0.00 H new ATOM 0 HB2 LYS A 53 30.689 15.912 -2.658 1.00 0.00 H new ATOM 0 HB3 LYS A 53 28.939 15.849 -2.606 1.00 0.00 H new ATOM 0 HG2 LYS A 53 29.692 16.736 -0.527 1.00 0.00 H new ATOM 0 HG3 LYS A 53 29.058 15.131 -0.220 1.00 0.00 H new ATOM 0 HD2 LYS A 53 31.049 15.469 1.100 1.00 0.00 H new ATOM 0 HD3 LYS A 53 31.353 14.229 -0.100 1.00 0.00 H new ATOM 0 HE2 LYS A 53 33.293 15.716 0.147 1.00 0.00 H new ATOM 0 HE3 LYS A 53 32.637 15.804 -1.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 33.271 17.953 -0.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 31.819 17.916 -1.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 31.792 17.768 0.557 1.00 0.00 H new ATOM 886 N SER A 54 27.615 13.007 -3.010 1.00 0.00 N ATOM 887 CA SER A 54 26.404 12.263 -2.685 1.00 0.00 C ATOM 888 C SER A 54 26.606 10.744 -2.649 1.00 0.00 C ATOM 889 O SER A 54 25.878 10.052 -1.938 1.00 0.00 O ATOM 890 CB SER A 54 25.330 12.588 -3.731 1.00 0.00 C ATOM 891 OG SER A 54 25.748 12.245 -5.039 1.00 0.00 O ATOM 0 H SER A 54 27.597 13.432 -3.937 1.00 0.00 H new ATOM 0 HA SER A 54 26.106 12.569 -1.682 1.00 0.00 H new ATOM 0 HB2 SER A 54 24.413 12.050 -3.490 1.00 0.00 H new ATOM 0 HB3 SER A 54 25.095 13.652 -3.692 1.00 0.00 H new ATOM 0 HG SER A 54 26.342 12.943 -5.386 1.00 0.00 H new ATOM 897 N THR A 55 27.572 10.220 -3.405 1.00 0.00 N ATOM 898 CA THR A 55 27.748 8.802 -3.678 1.00 0.00 C ATOM 899 C THR A 55 27.571 7.848 -2.484 1.00 0.00 C ATOM 900 O THR A 55 26.618 7.065 -2.526 1.00 0.00 O ATOM 901 CB THR A 55 28.986 8.654 -4.583 1.00 0.00 C ATOM 902 OG1 THR A 55 28.662 9.261 -5.829 1.00 0.00 O ATOM 903 CG2 THR A 55 29.393 7.219 -4.875 1.00 0.00 C ATOM 0 H THR A 55 28.278 10.799 -3.859 1.00 0.00 H new ATOM 0 HA THR A 55 26.899 8.415 -4.241 1.00 0.00 H new ATOM 0 HB THR A 55 29.822 9.116 -4.057 1.00 0.00 H new ATOM 0 HG1 THR A 55 29.428 9.190 -6.436 1.00 0.00 H new ATOM 0 HG21 THR A 55 30.273 7.214 -5.519 1.00 0.00 H new ATOM 0 HG22 THR A 55 29.625 6.709 -3.940 1.00 0.00 H new ATOM 0 HG23 THR A 55 28.574 6.703 -5.376 1.00 0.00 H new ATOM 911 N PRO A 56 28.371 7.891 -1.409 1.00 0.00 N ATOM 912 CA PRO A 56 28.195 7.000 -0.263 1.00 0.00 C ATOM 913 C PRO A 56 26.799 7.045 0.383 1.00 0.00 C ATOM 914 O PRO A 56 26.344 6.030 0.916 1.00 0.00 O ATOM 915 CB PRO A 56 29.293 7.402 0.725 1.00 0.00 C ATOM 916 CG PRO A 56 30.397 7.911 -0.201 1.00 0.00 C ATOM 917 CD PRO A 56 29.622 8.617 -1.305 1.00 0.00 C ATOM 0 HA PRO A 56 28.275 5.962 -0.587 1.00 0.00 H new ATOM 0 HB2 PRO A 56 28.955 8.174 1.416 1.00 0.00 H new ATOM 0 HB3 PRO A 56 29.626 6.557 1.328 1.00 0.00 H new ATOM 0 HG2 PRO A 56 31.074 8.592 0.315 1.00 0.00 H new ATOM 0 HG3 PRO A 56 31.003 7.094 -0.593 1.00 0.00 H new ATOM 0 HD2 PRO A 56 29.451 9.665 -1.059 1.00 0.00 H new ATOM 0 HD3 PRO A 56 30.170 8.596 -2.247 1.00 0.00 H new ATOM 925 N LEU A 57 26.100 8.189 0.332 1.00 0.00 N ATOM 926 CA LEU A 57 24.771 8.342 0.929 1.00 0.00 C ATOM 927 C LEU A 57 23.730 7.533 0.153 1.00 0.00 C ATOM 928 O LEU A 57 22.760 7.044 0.739 1.00 0.00 O ATOM 929 CB LEU A 57 24.331 9.823 0.945 1.00 0.00 C ATOM 930 CG LEU A 57 25.288 10.808 1.645 1.00 0.00 C ATOM 931 CD1 LEU A 57 24.805 12.244 1.428 1.00 0.00 C ATOM 932 CD2 LEU A 57 25.396 10.540 3.148 1.00 0.00 C ATOM 0 H LEU A 57 26.444 9.033 -0.126 1.00 0.00 H new ATOM 0 HA LEU A 57 24.837 7.974 1.953 1.00 0.00 H new ATOM 0 HB2 LEU A 57 24.194 10.151 -0.085 1.00 0.00 H new ATOM 0 HB3 LEU A 57 23.358 9.886 1.431 1.00 0.00 H new ATOM 0 HG LEU A 57 26.275 10.666 1.205 1.00 0.00 H new ATOM 0 HD11 LEU A 57 25.485 12.936 1.925 1.00 0.00 H new ATOM 0 HD12 LEU A 57 24.781 12.463 0.360 1.00 0.00 H new ATOM 0 HD13 LEU A 57 23.804 12.358 1.844 1.00 0.00 H new ATOM 0 HD21 LEU A 57 26.081 11.259 3.597 1.00 0.00 H new ATOM 0 HD22 LEU A 57 24.412 10.640 3.607 1.00 0.00 H new ATOM 0 HD23 LEU A 57 25.772 9.530 3.311 1.00 0.00 H new ATOM 944 N ARG A 58 23.897 7.387 -1.167 1.00 0.00 N ATOM 945 CA ARG A 58 22.850 6.820 -2.018 1.00 0.00 C ATOM 946 C ARG A 58 22.630 5.324 -1.793 1.00 0.00 C ATOM 947 O ARG A 58 21.607 4.819 -2.247 1.00 0.00 O ATOM 948 CB ARG A 58 23.093 7.120 -3.502 1.00 0.00 C ATOM 949 CG ARG A 58 22.998 8.617 -3.850 1.00 0.00 C ATOM 950 CD ARG A 58 23.093 8.905 -5.358 1.00 0.00 C ATOM 951 NE ARG A 58 24.133 8.078 -5.991 1.00 0.00 N ATOM 952 CZ ARG A 58 25.387 8.428 -6.267 1.00 0.00 C ATOM 953 NH1 ARG A 58 25.821 9.681 -6.219 1.00 0.00 N ATOM 954 NH2 ARG A 58 26.240 7.469 -6.576 1.00 0.00 N ATOM 0 H ARG A 58 24.746 7.654 -1.666 1.00 0.00 H new ATOM 0 HA ARG A 58 21.929 7.319 -1.716 1.00 0.00 H new ATOM 0 HB2 ARG A 58 24.080 6.752 -3.782 1.00 0.00 H new ATOM 0 HB3 ARG A 58 22.366 6.569 -4.099 1.00 0.00 H new ATOM 0 HG2 ARG A 58 22.054 9.010 -3.472 1.00 0.00 H new ATOM 0 HG3 ARG A 58 23.796 9.153 -3.335 1.00 0.00 H new ATOM 0 HD2 ARG A 58 22.130 8.709 -5.830 1.00 0.00 H new ATOM 0 HD3 ARG A 58 23.316 9.960 -5.517 1.00 0.00 H new ATOM 0 HE ARG A 58 23.862 7.129 -6.247 1.00 0.00 H new ATOM 0 HH11 ARG A 58 25.182 10.433 -5.960 1.00 0.00 H new ATOM 0 HH12 ARG A 58 26.794 9.893 -6.441 1.00 0.00 H new ATOM 0 HH21 ARG A 58 25.930 6.498 -6.597 1.00 0.00 H new ATOM 0 HH22 ARG A 58 27.210 7.699 -6.793 1.00 0.00 H new ATOM 968 N LEU A 59 23.501 4.612 -1.069 1.00 0.00 N ATOM 969 CA LEU A 59 23.208 3.233 -0.661 1.00 0.00 C ATOM 970 C LEU A 59 21.929 3.199 0.184 1.00 0.00 C ATOM 971 O LEU A 59 21.058 2.358 -0.044 1.00 0.00 O ATOM 972 CB LEU A 59 24.383 2.617 0.126 1.00 0.00 C ATOM 973 CG LEU A 59 25.678 2.422 -0.687 1.00 0.00 C ATOM 974 CD1 LEU A 59 26.802 1.906 0.217 1.00 0.00 C ATOM 975 CD2 LEU A 59 25.503 1.454 -1.868 1.00 0.00 C ATOM 0 H LEU A 59 24.406 4.963 -0.756 1.00 0.00 H new ATOM 0 HA LEU A 59 23.062 2.637 -1.562 1.00 0.00 H new ATOM 0 HB2 LEU A 59 24.602 3.255 0.982 1.00 0.00 H new ATOM 0 HB3 LEU A 59 24.070 1.650 0.520 1.00 0.00 H new ATOM 0 HG LEU A 59 25.934 3.400 -1.094 1.00 0.00 H new ATOM 0 HD11 LEU A 59 27.710 1.773 -0.371 1.00 0.00 H new ATOM 0 HD12 LEU A 59 26.988 2.626 1.014 1.00 0.00 H new ATOM 0 HD13 LEU A 59 26.509 0.951 0.653 1.00 0.00 H new ATOM 0 HD21 LEU A 59 26.448 1.357 -2.402 1.00 0.00 H new ATOM 0 HD22 LEU A 59 25.195 0.477 -1.495 1.00 0.00 H new ATOM 0 HD23 LEU A 59 24.741 1.840 -2.545 1.00 0.00 H new ATOM 987 N ARG A 60 21.785 4.145 1.123 1.00 0.00 N ATOM 988 CA ARG A 60 20.593 4.237 1.973 1.00 0.00 C ATOM 989 C ARG A 60 19.383 4.622 1.128 1.00 0.00 C ATOM 990 O ARG A 60 18.304 4.057 1.311 1.00 0.00 O ATOM 991 CB ARG A 60 20.789 5.266 3.102 1.00 0.00 C ATOM 992 CG ARG A 60 21.983 4.935 4.015 1.00 0.00 C ATOM 993 CD ARG A 60 22.175 6.016 5.085 1.00 0.00 C ATOM 994 NE ARG A 60 23.427 5.820 5.839 1.00 0.00 N ATOM 995 CZ ARG A 60 24.027 6.750 6.594 1.00 0.00 C ATOM 996 NH1 ARG A 60 23.457 7.925 6.828 1.00 0.00 N ATOM 997 NH2 ARG A 60 25.220 6.537 7.131 1.00 0.00 N ATOM 0 H ARG A 60 22.486 4.861 1.312 1.00 0.00 H new ATOM 0 HA ARG A 60 20.426 3.261 2.429 1.00 0.00 H new ATOM 0 HB2 ARG A 60 20.936 6.254 2.665 1.00 0.00 H new ATOM 0 HB3 ARG A 60 19.881 5.315 3.703 1.00 0.00 H new ATOM 0 HG2 ARG A 60 21.822 3.969 4.494 1.00 0.00 H new ATOM 0 HG3 ARG A 60 22.889 4.847 3.416 1.00 0.00 H new ATOM 0 HD2 ARG A 60 22.185 6.998 4.613 1.00 0.00 H new ATOM 0 HD3 ARG A 60 21.330 6.001 5.773 1.00 0.00 H new ATOM 0 HE ARG A 60 23.871 4.904 5.781 1.00 0.00 H new ATOM 0 HH11 ARG A 60 22.542 8.136 6.430 1.00 0.00 H new ATOM 0 HH12 ARG A 60 23.934 8.617 7.406 1.00 0.00 H new ATOM 0 HH21 ARG A 60 25.700 5.651 6.973 1.00 0.00 H new ATOM 0 HH22 ARG A 60 25.658 7.259 7.703 1.00 0.00 H new ATOM 1011 N LEU A 61 19.579 5.565 0.205 1.00 0.00 N ATOM 1012 CA LEU A 61 18.564 6.053 -0.722 1.00 0.00 C ATOM 1013 C LEU A 61 18.001 4.879 -1.533 1.00 0.00 C ATOM 1014 O LEU A 61 16.790 4.661 -1.556 1.00 0.00 O ATOM 1015 CB LEU A 61 19.209 7.144 -1.604 1.00 0.00 C ATOM 1016 CG LEU A 61 18.276 8.223 -2.170 1.00 0.00 C ATOM 1017 CD1 LEU A 61 17.152 7.640 -3.020 1.00 0.00 C ATOM 1018 CD2 LEU A 61 17.707 9.115 -1.064 1.00 0.00 C ATOM 0 H LEU A 61 20.481 6.024 0.080 1.00 0.00 H new ATOM 0 HA LEU A 61 17.719 6.498 -0.196 1.00 0.00 H new ATOM 0 HB2 LEU A 61 19.984 7.639 -1.018 1.00 0.00 H new ATOM 0 HB3 LEU A 61 19.706 6.653 -2.441 1.00 0.00 H new ATOM 0 HG LEU A 61 18.891 8.840 -2.826 1.00 0.00 H new ATOM 0 HD11 LEU A 61 16.523 8.447 -3.395 1.00 0.00 H new ATOM 0 HD12 LEU A 61 17.578 7.092 -3.861 1.00 0.00 H new ATOM 0 HD13 LEU A 61 16.551 6.963 -2.413 1.00 0.00 H new ATOM 0 HD21 LEU A 61 17.051 9.866 -1.504 1.00 0.00 H new ATOM 0 HD22 LEU A 61 17.140 8.505 -0.361 1.00 0.00 H new ATOM 0 HD23 LEU A 61 18.524 9.609 -0.539 1.00 0.00 H new ATOM 1030 N TYR A 62 18.871 4.079 -2.151 1.00 0.00 N ATOM 1031 CA TYR A 62 18.451 2.926 -2.927 1.00 0.00 C ATOM 1032 C TYR A 62 17.703 1.923 -2.043 1.00 0.00 C ATOM 1033 O TYR A 62 16.574 1.546 -2.360 1.00 0.00 O ATOM 1034 CB TYR A 62 19.667 2.266 -3.601 1.00 0.00 C ATOM 1035 CG TYR A 62 19.327 0.901 -4.169 1.00 0.00 C ATOM 1036 CD1 TYR A 62 18.530 0.798 -5.324 1.00 0.00 C ATOM 1037 CD2 TYR A 62 19.682 -0.260 -3.453 1.00 0.00 C ATOM 1038 CE1 TYR A 62 18.054 -0.456 -5.742 1.00 0.00 C ATOM 1039 CE2 TYR A 62 19.217 -1.519 -3.869 1.00 0.00 C ATOM 1040 CZ TYR A 62 18.387 -1.621 -5.010 1.00 0.00 C ATOM 1041 OH TYR A 62 17.899 -2.831 -5.402 1.00 0.00 O ATOM 0 H TYR A 62 19.881 4.217 -2.124 1.00 0.00 H new ATOM 0 HA TYR A 62 17.767 3.261 -3.707 1.00 0.00 H new ATOM 0 HB2 TYR A 62 20.034 2.911 -4.400 1.00 0.00 H new ATOM 0 HB3 TYR A 62 20.475 2.167 -2.876 1.00 0.00 H new ATOM 0 HD1 TYR A 62 18.284 1.684 -5.890 1.00 0.00 H new ATOM 0 HD2 TYR A 62 20.314 -0.182 -2.581 1.00 0.00 H new ATOM 0 HE1 TYR A 62 17.433 -0.531 -6.623 1.00 0.00 H new ATOM 0 HE2 TYR A 62 19.493 -2.407 -3.319 1.00 0.00 H new ATOM 0 HH TYR A 62 18.223 -3.527 -4.793 1.00 0.00 H new ATOM 1051 N ASP A 63 18.317 1.522 -0.926 1.00 0.00 N ATOM 1052 CA ASP A 63 17.827 0.407 -0.122 1.00 0.00 C ATOM 1053 C ASP A 63 16.500 0.680 0.588 1.00 0.00 C ATOM 1054 O ASP A 63 15.721 -0.255 0.783 1.00 0.00 O ATOM 1055 CB ASP A 63 18.894 0.001 0.899 1.00 0.00 C ATOM 1056 CG ASP A 63 18.455 -1.228 1.713 1.00 0.00 C ATOM 1057 OD1 ASP A 63 18.366 -2.338 1.138 1.00 0.00 O ATOM 1058 OD2 ASP A 63 18.250 -1.107 2.940 1.00 0.00 O ATOM 0 H ASP A 63 19.162 1.960 -0.559 1.00 0.00 H new ATOM 0 HA ASP A 63 17.629 -0.407 -0.819 1.00 0.00 H new ATOM 0 HB2 ASP A 63 19.829 -0.218 0.383 1.00 0.00 H new ATOM 0 HB3 ASP A 63 19.090 0.835 1.573 1.00 0.00 H new ATOM 1063 N ASN A 64 16.195 1.936 0.940 1.00 0.00 N ATOM 1064 CA ASN A 64 15.055 2.247 1.817 1.00 0.00 C ATOM 1065 C ASN A 64 14.028 3.182 1.186 1.00 0.00 C ATOM 1066 O ASN A 64 12.946 3.346 1.755 1.00 0.00 O ATOM 1067 CB ASN A 64 15.524 2.910 3.123 1.00 0.00 C ATOM 1068 CG ASN A 64 16.577 2.128 3.884 1.00 0.00 C ATOM 1069 OD1 ASN A 64 16.274 1.285 4.725 1.00 0.00 O ATOM 1070 ND2 ASN A 64 17.834 2.425 3.607 1.00 0.00 N ATOM 0 H ASN A 64 16.721 2.754 0.632 1.00 0.00 H new ATOM 0 HA ASN A 64 14.584 1.282 2.003 1.00 0.00 H new ATOM 0 HB2 ASN A 64 15.921 3.898 2.891 1.00 0.00 H new ATOM 0 HB3 ASN A 64 14.660 3.057 3.771 1.00 0.00 H new ATOM 0 HD21 ASN A 64 18.591 1.949 4.098 1.00 0.00 H new ATOM 0 HD22 ASN A 64 18.048 3.131 2.902 1.00 0.00 H new ATOM 1077 N PHE A 65 14.346 3.822 0.058 1.00 0.00 N ATOM 1078 CA PHE A 65 13.525 4.893 -0.488 1.00 0.00 C ATOM 1079 C PHE A 65 13.159 4.557 -1.941 1.00 0.00 C ATOM 1080 O PHE A 65 11.988 4.306 -2.216 1.00 0.00 O ATOM 1081 CB PHE A 65 14.272 6.221 -0.284 1.00 0.00 C ATOM 1082 CG PHE A 65 13.417 7.467 -0.409 1.00 0.00 C ATOM 1083 CD1 PHE A 65 12.824 7.800 -1.637 1.00 0.00 C ATOM 1084 CD2 PHE A 65 13.253 8.330 0.688 1.00 0.00 C ATOM 1085 CE1 PHE A 65 12.048 8.968 -1.762 1.00 0.00 C ATOM 1086 CE2 PHE A 65 12.517 9.516 0.552 1.00 0.00 C ATOM 1087 CZ PHE A 65 11.895 9.829 -0.665 1.00 0.00 C ATOM 0 H PHE A 65 15.176 3.610 -0.496 1.00 0.00 H new ATOM 0 HA PHE A 65 12.571 5.000 0.028 1.00 0.00 H new ATOM 0 HB2 PHE A 65 14.732 6.213 0.704 1.00 0.00 H new ATOM 0 HB3 PHE A 65 15.081 6.280 -1.012 1.00 0.00 H new ATOM 0 HD1 PHE A 65 12.964 7.155 -2.492 1.00 0.00 H new ATOM 0 HD2 PHE A 65 13.696 8.079 1.640 1.00 0.00 H new ATOM 0 HE1 PHE A 65 11.571 9.201 -2.702 1.00 0.00 H new ATOM 0 HE2 PHE A 65 12.429 10.192 1.390 1.00 0.00 H new ATOM 0 HZ PHE A 65 11.302 10.727 -0.757 1.00 0.00 H new ATOM 1097 N VAL A 66 14.129 4.460 -2.863 1.00 0.00 N ATOM 1098 CA VAL A 66 13.860 4.099 -4.268 1.00 0.00 C ATOM 1099 C VAL A 66 13.315 2.667 -4.365 1.00 0.00 C ATOM 1100 O VAL A 66 12.522 2.376 -5.262 1.00 0.00 O ATOM 1101 CB VAL A 66 15.116 4.365 -5.136 1.00 0.00 C ATOM 1102 CG1 VAL A 66 15.133 3.749 -6.550 1.00 0.00 C ATOM 1103 CG2 VAL A 66 15.278 5.881 -5.317 1.00 0.00 C ATOM 0 H VAL A 66 15.115 4.628 -2.661 1.00 0.00 H new ATOM 0 HA VAL A 66 13.074 4.736 -4.674 1.00 0.00 H new ATOM 0 HB VAL A 66 15.922 3.881 -4.585 1.00 0.00 H new ATOM 0 HG11 VAL A 66 16.066 4.011 -7.050 1.00 0.00 H new ATOM 0 HG12 VAL A 66 15.053 2.664 -6.475 1.00 0.00 H new ATOM 0 HG13 VAL A 66 14.292 4.136 -7.126 1.00 0.00 H new ATOM 0 HG21 VAL A 66 16.159 6.083 -5.926 1.00 0.00 H new ATOM 0 HG22 VAL A 66 14.395 6.285 -5.811 1.00 0.00 H new ATOM 0 HG23 VAL A 66 15.396 6.353 -4.342 1.00 0.00 H new ATOM 1113 N SER A 67 13.622 1.794 -3.401 1.00 0.00 N ATOM 1114 CA SER A 67 13.034 0.467 -3.273 1.00 0.00 C ATOM 1115 C SER A 67 11.493 0.471 -3.226 1.00 0.00 C ATOM 1116 O SER A 67 10.880 -0.569 -3.475 1.00 0.00 O ATOM 1117 CB SER A 67 13.640 -0.208 -2.034 1.00 0.00 C ATOM 1118 OG SER A 67 13.648 0.666 -0.917 1.00 0.00 O ATOM 0 H SER A 67 14.304 2.001 -2.672 1.00 0.00 H new ATOM 0 HA SER A 67 13.275 -0.101 -4.171 1.00 0.00 H new ATOM 0 HB2 SER A 67 13.070 -1.105 -1.791 1.00 0.00 H new ATOM 0 HB3 SER A 67 14.658 -0.528 -2.254 1.00 0.00 H new ATOM 0 HG SER A 67 14.248 0.311 -0.228 1.00 0.00 H new ATOM 1124 N LYS A 68 10.844 1.609 -2.948 1.00 0.00 N ATOM 1125 CA LYS A 68 9.385 1.715 -2.915 1.00 0.00 C ATOM 1126 C LYS A 68 8.772 1.993 -4.292 1.00 0.00 C ATOM 1127 O LYS A 68 7.576 1.750 -4.464 1.00 0.00 O ATOM 1128 CB LYS A 68 8.975 2.824 -1.932 1.00 0.00 C ATOM 1129 CG LYS A 68 9.437 2.548 -0.491 1.00 0.00 C ATOM 1130 CD LYS A 68 9.010 3.700 0.428 1.00 0.00 C ATOM 1131 CE LYS A 68 9.478 3.512 1.879 1.00 0.00 C ATOM 1132 NZ LYS A 68 8.834 2.359 2.556 1.00 0.00 N ATOM 0 H LYS A 68 11.322 2.485 -2.739 1.00 0.00 H new ATOM 0 HA LYS A 68 9.000 0.749 -2.587 1.00 0.00 H new ATOM 0 HB2 LYS A 68 9.394 3.773 -2.267 1.00 0.00 H new ATOM 0 HB3 LYS A 68 7.890 2.932 -1.946 1.00 0.00 H new ATOM 0 HG2 LYS A 68 9.008 1.611 -0.136 1.00 0.00 H new ATOM 0 HG3 LYS A 68 10.521 2.433 -0.464 1.00 0.00 H new ATOM 0 HD2 LYS A 68 9.412 4.636 0.040 1.00 0.00 H new ATOM 0 HD3 LYS A 68 7.924 3.789 0.410 1.00 0.00 H new ATOM 0 HE2 LYS A 68 10.559 3.374 1.890 1.00 0.00 H new ATOM 0 HE3 LYS A 68 9.267 4.421 2.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 9.000 2.421 3.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 7.811 2.374 2.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 9.239 1.473 2.192 1.00 0.00 H new ATOM 1146 N PHE A 69 9.532 2.511 -5.267 1.00 0.00 N ATOM 1147 CA PHE A 69 8.966 3.003 -6.530 1.00 0.00 C ATOM 1148 C PHE A 69 9.891 2.841 -7.739 1.00 0.00 C ATOM 1149 O PHE A 69 9.605 3.414 -8.789 1.00 0.00 O ATOM 1150 CB PHE A 69 8.510 4.467 -6.364 1.00 0.00 C ATOM 1151 CG PHE A 69 9.576 5.408 -5.845 1.00 0.00 C ATOM 1152 CD1 PHE A 69 10.562 5.928 -6.706 1.00 0.00 C ATOM 1153 CD2 PHE A 69 9.577 5.759 -4.484 1.00 0.00 C ATOM 1154 CE1 PHE A 69 11.558 6.779 -6.199 1.00 0.00 C ATOM 1155 CE2 PHE A 69 10.568 6.609 -3.978 1.00 0.00 C ATOM 1156 CZ PHE A 69 11.562 7.113 -4.833 1.00 0.00 C ATOM 0 H PHE A 69 10.546 2.600 -5.204 1.00 0.00 H new ATOM 0 HA PHE A 69 8.105 2.372 -6.751 1.00 0.00 H new ATOM 0 HB2 PHE A 69 8.158 4.835 -7.328 1.00 0.00 H new ATOM 0 HB3 PHE A 69 7.659 4.493 -5.683 1.00 0.00 H new ATOM 0 HD1 PHE A 69 10.552 5.673 -7.755 1.00 0.00 H new ATOM 0 HD2 PHE A 69 8.812 5.372 -3.827 1.00 0.00 H new ATOM 0 HE1 PHE A 69 12.318 7.175 -6.856 1.00 0.00 H new ATOM 0 HE2 PHE A 69 10.568 6.877 -2.932 1.00 0.00 H new ATOM 0 HZ PHE A 69 12.332 7.760 -4.440 1.00 0.00 H new ATOM 1166 N TYR A 70 10.968 2.056 -7.638 1.00 0.00 N ATOM 1167 CA TYR A 70 11.877 1.754 -8.745 1.00 0.00 C ATOM 1168 C TYR A 70 11.132 1.336 -10.022 1.00 0.00 C ATOM 1169 O TYR A 70 11.535 1.698 -11.126 1.00 0.00 O ATOM 1170 CB TYR A 70 12.897 0.687 -8.319 1.00 0.00 C ATOM 1171 CG TYR A 70 12.287 -0.664 -8.003 1.00 0.00 C ATOM 1172 CD1 TYR A 70 11.695 -0.897 -6.750 1.00 0.00 C ATOM 1173 CD2 TYR A 70 12.248 -1.666 -8.987 1.00 0.00 C ATOM 1174 CE1 TYR A 70 11.051 -2.115 -6.486 1.00 0.00 C ATOM 1175 CE2 TYR A 70 11.607 -2.887 -8.733 1.00 0.00 C ATOM 1176 CZ TYR A 70 11.005 -3.123 -7.477 1.00 0.00 C ATOM 1177 OH TYR A 70 10.385 -4.313 -7.234 1.00 0.00 O ATOM 0 H TYR A 70 11.237 1.603 -6.764 1.00 0.00 H new ATOM 0 HA TYR A 70 12.411 2.672 -8.989 1.00 0.00 H new ATOM 0 HB2 TYR A 70 13.632 0.564 -9.115 1.00 0.00 H new ATOM 0 HB3 TYR A 70 13.435 1.045 -7.441 1.00 0.00 H new ATOM 0 HD1 TYR A 70 11.736 -0.134 -5.986 1.00 0.00 H new ATOM 0 HD2 TYR A 70 12.715 -1.495 -9.946 1.00 0.00 H new ATOM 0 HE1 TYR A 70 10.589 -2.283 -5.524 1.00 0.00 H new ATOM 0 HE2 TYR A 70 11.573 -3.648 -9.499 1.00 0.00 H new ATOM 0 HH TYR A 70 10.025 -4.671 -8.072 1.00 0.00 H new ATOM 1187 N ASP A 71 10.014 0.618 -9.882 1.00 0.00 N ATOM 1188 CA ASP A 71 9.187 0.168 -10.996 1.00 0.00 C ATOM 1189 C ASP A 71 8.484 1.320 -11.730 1.00 0.00 C ATOM 1190 O ASP A 71 8.199 1.176 -12.920 1.00 0.00 O ATOM 1191 CB ASP A 71 8.171 -0.877 -10.514 1.00 0.00 C ATOM 1192 CG ASP A 71 7.037 -0.269 -9.684 1.00 0.00 C ATOM 1193 OD1 ASP A 71 7.291 0.107 -8.516 1.00 0.00 O ATOM 1194 OD2 ASP A 71 5.896 -0.180 -10.186 1.00 0.00 O ATOM 0 H ASP A 71 9.655 0.330 -8.972 1.00 0.00 H new ATOM 0 HA ASP A 71 9.857 -0.290 -11.724 1.00 0.00 H new ATOM 0 HB2 ASP A 71 7.747 -1.390 -11.378 1.00 0.00 H new ATOM 0 HB3 ASP A 71 8.687 -1.630 -9.918 1.00 0.00 H new ATOM 1199 N LYS A 72 8.261 2.479 -11.097 1.00 0.00 N ATOM 1200 CA LYS A 72 7.629 3.641 -11.738 1.00 0.00 C ATOM 1201 C LYS A 72 8.630 4.495 -12.522 1.00 0.00 C ATOM 1202 O LYS A 72 8.196 5.406 -13.227 1.00 0.00 O ATOM 1203 CB LYS A 72 6.878 4.527 -10.716 1.00 0.00 C ATOM 1204 CG LYS A 72 5.641 3.857 -10.089 1.00 0.00 C ATOM 1205 CD LYS A 72 5.957 3.194 -8.744 1.00 0.00 C ATOM 1206 CE LYS A 72 4.790 2.320 -8.266 1.00 0.00 C ATOM 1207 NZ LYS A 72 5.207 1.383 -7.195 1.00 0.00 N ATOM 0 H LYS A 72 8.515 2.638 -10.122 1.00 0.00 H new ATOM 0 HA LYS A 72 6.907 3.231 -12.444 1.00 0.00 H new ATOM 0 HB2 LYS A 72 7.568 4.808 -9.920 1.00 0.00 H new ATOM 0 HB3 LYS A 72 6.568 5.448 -11.209 1.00 0.00 H new ATOM 0 HG2 LYS A 72 4.859 4.603 -9.949 1.00 0.00 H new ATOM 0 HG3 LYS A 72 5.248 3.108 -10.777 1.00 0.00 H new ATOM 0 HD2 LYS A 72 6.856 2.585 -8.839 1.00 0.00 H new ATOM 0 HD3 LYS A 72 6.169 3.961 -7.999 1.00 0.00 H new ATOM 0 HE2 LYS A 72 3.985 2.957 -7.899 1.00 0.00 H new ATOM 0 HE3 LYS A 72 4.390 1.755 -9.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 4.375 0.870 -6.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 5.896 0.704 -7.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 5.643 1.917 -6.416 1.00 0.00 H new ATOM 1221 N ILE A 73 9.938 4.235 -12.426 1.00 0.00 N ATOM 1222 CA ILE A 73 10.975 5.101 -12.992 1.00 0.00 C ATOM 1223 C ILE A 73 11.938 4.293 -13.859 1.00 0.00 C ATOM 1224 O ILE A 73 11.741 3.096 -14.082 1.00 0.00 O ATOM 1225 CB ILE A 73 11.665 5.933 -11.883 1.00 0.00 C ATOM 1226 CG1 ILE A 73 12.309 5.060 -10.785 1.00 0.00 C ATOM 1227 CG2 ILE A 73 10.643 6.915 -11.287 1.00 0.00 C ATOM 1228 CD1 ILE A 73 13.293 5.837 -9.904 1.00 0.00 C ATOM 0 H ILE A 73 10.308 3.412 -11.950 1.00 0.00 H new ATOM 0 HA ILE A 73 10.515 5.829 -13.660 1.00 0.00 H new ATOM 0 HB ILE A 73 12.488 6.484 -12.338 1.00 0.00 H new ATOM 0 HG12 ILE A 73 11.524 4.637 -10.158 1.00 0.00 H new ATOM 0 HG13 ILE A 73 12.830 4.224 -11.252 1.00 0.00 H new ATOM 0 HG21 ILE A 73 11.120 7.506 -10.505 1.00 0.00 H new ATOM 0 HG22 ILE A 73 10.276 7.578 -12.070 1.00 0.00 H new ATOM 0 HG23 ILE A 73 9.808 6.358 -10.863 1.00 0.00 H new ATOM 0 HD11 ILE A 73 13.713 5.170 -9.151 1.00 0.00 H new ATOM 0 HD12 ILE A 73 14.096 6.238 -10.522 1.00 0.00 H new ATOM 0 HD13 ILE A 73 12.771 6.657 -9.411 1.00 0.00 H new ATOM 1240 N ASN A 74 12.937 4.967 -14.430 1.00 0.00 N ATOM 1241 CA ASN A 74 13.859 4.375 -15.386 1.00 0.00 C ATOM 1242 C ASN A 74 14.791 3.386 -14.687 1.00 0.00 C ATOM 1243 O ASN A 74 15.471 3.732 -13.716 1.00 0.00 O ATOM 1244 CB ASN A 74 14.648 5.505 -16.060 1.00 0.00 C ATOM 1245 CG ASN A 74 15.861 5.020 -16.846 1.00 0.00 C ATOM 1246 OD1 ASN A 74 15.851 3.962 -17.466 1.00 0.00 O ATOM 1247 ND2 ASN A 74 16.951 5.762 -16.798 1.00 0.00 N ATOM 0 H ASN A 74 13.127 5.950 -14.236 1.00 0.00 H new ATOM 0 HA ASN A 74 13.309 3.818 -16.144 1.00 0.00 H new ATOM 0 HB2 ASN A 74 13.984 6.049 -16.732 1.00 0.00 H new ATOM 0 HB3 ASN A 74 14.978 6.211 -15.298 1.00 0.00 H new ATOM 0 HD21 ASN A 74 17.797 5.457 -17.280 1.00 0.00 H new ATOM 0 HD22 ASN A 74 16.948 6.640 -16.279 1.00 0.00 H new ATOM 1254 N GLN A 75 14.867 2.173 -15.233 1.00 0.00 N ATOM 1255 CA GLN A 75 15.705 1.091 -14.730 1.00 0.00 C ATOM 1256 C GLN A 75 17.175 1.509 -14.651 1.00 0.00 C ATOM 1257 O GLN A 75 17.859 1.172 -13.684 1.00 0.00 O ATOM 1258 CB GLN A 75 15.572 -0.157 -15.630 1.00 0.00 C ATOM 1259 CG GLN A 75 14.129 -0.663 -15.816 1.00 0.00 C ATOM 1260 CD GLN A 75 13.421 -0.056 -17.029 1.00 0.00 C ATOM 1261 OE1 GLN A 75 12.900 1.052 -16.953 1.00 0.00 O ATOM 1262 NE2 GLN A 75 13.362 -0.741 -18.160 1.00 0.00 N ATOM 0 H GLN A 75 14.331 1.911 -16.061 1.00 0.00 H new ATOM 0 HA GLN A 75 15.361 0.853 -13.724 1.00 0.00 H new ATOM 0 HB2 GLN A 75 15.992 0.071 -16.610 1.00 0.00 H new ATOM 0 HB3 GLN A 75 16.173 -0.961 -15.205 1.00 0.00 H new ATOM 0 HG2 GLN A 75 14.143 -1.748 -15.919 1.00 0.00 H new ATOM 0 HG3 GLN A 75 13.554 -0.436 -14.918 1.00 0.00 H new ATOM 0 HE21 GLN A 75 13.796 -1.662 -18.222 1.00 0.00 H new ATOM 0 HE22 GLN A 75 12.883 -0.348 -18.970 1.00 0.00 H new ATOM 1271 N LEU A 76 17.655 2.271 -15.641 1.00 0.00 N ATOM 1272 CA LEU A 76 19.048 2.706 -15.673 1.00 0.00 C ATOM 1273 C LEU A 76 19.297 3.778 -14.619 1.00 0.00 C ATOM 1274 O LEU A 76 20.400 3.810 -14.093 1.00 0.00 O ATOM 1275 CB LEU A 76 19.466 3.182 -17.075 1.00 0.00 C ATOM 1276 CG LEU A 76 19.255 2.148 -18.200 1.00 0.00 C ATOM 1277 CD1 LEU A 76 19.819 2.702 -19.512 1.00 0.00 C ATOM 1278 CD2 LEU A 76 19.910 0.795 -17.897 1.00 0.00 C ATOM 0 H LEU A 76 17.095 2.597 -16.429 1.00 0.00 H new ATOM 0 HA LEU A 76 19.673 1.845 -15.435 1.00 0.00 H new ATOM 0 HB2 LEU A 76 18.904 4.083 -17.320 1.00 0.00 H new ATOM 0 HB3 LEU A 76 20.520 3.460 -17.050 1.00 0.00 H new ATOM 0 HG LEU A 76 18.182 1.976 -18.281 1.00 0.00 H new ATOM 0 HD11 LEU A 76 19.671 1.973 -20.308 1.00 0.00 H new ATOM 0 HD12 LEU A 76 19.304 3.628 -19.767 1.00 0.00 H new ATOM 0 HD13 LEU A 76 20.884 2.900 -19.395 1.00 0.00 H new ATOM 0 HD21 LEU A 76 19.728 0.109 -18.724 1.00 0.00 H new ATOM 0 HD22 LEU A 76 20.984 0.931 -17.769 1.00 0.00 H new ATOM 0 HD23 LEU A 76 19.485 0.382 -16.982 1.00 0.00 H new ATOM 1290 N SER A 77 18.314 4.608 -14.250 1.00 0.00 N ATOM 1291 CA SER A 77 18.473 5.563 -13.160 1.00 0.00 C ATOM 1292 C SER A 77 18.745 4.832 -11.854 1.00 0.00 C ATOM 1293 O SER A 77 19.752 5.124 -11.204 1.00 0.00 O ATOM 1294 CB SER A 77 17.259 6.489 -13.063 1.00 0.00 C ATOM 1295 OG SER A 77 17.082 7.184 -14.288 1.00 0.00 O ATOM 0 H SER A 77 17.397 4.633 -14.697 1.00 0.00 H new ATOM 0 HA SER A 77 19.336 6.195 -13.368 1.00 0.00 H new ATOM 0 HB2 SER A 77 16.366 5.909 -12.832 1.00 0.00 H new ATOM 0 HB3 SER A 77 17.397 7.200 -12.248 1.00 0.00 H new ATOM 0 HG SER A 77 16.302 7.774 -14.220 1.00 0.00 H new ATOM 1301 N VAL A 78 17.912 3.851 -11.491 1.00 0.00 N ATOM 1302 CA VAL A 78 18.081 3.203 -10.194 1.00 0.00 C ATOM 1303 C VAL A 78 19.429 2.479 -10.133 1.00 0.00 C ATOM 1304 O VAL A 78 20.155 2.651 -9.146 1.00 0.00 O ATOM 1305 CB VAL A 78 16.877 2.331 -9.793 1.00 0.00 C ATOM 1306 CG1 VAL A 78 15.576 3.133 -9.937 1.00 0.00 C ATOM 1307 CG2 VAL A 78 16.732 1.019 -10.567 1.00 0.00 C ATOM 0 H VAL A 78 17.140 3.500 -12.058 1.00 0.00 H new ATOM 0 HA VAL A 78 18.104 3.978 -9.428 1.00 0.00 H new ATOM 0 HB VAL A 78 17.070 2.052 -8.757 1.00 0.00 H new ATOM 0 HG11 VAL A 78 14.730 2.508 -9.651 1.00 0.00 H new ATOM 0 HG12 VAL A 78 15.615 4.009 -9.290 1.00 0.00 H new ATOM 0 HG13 VAL A 78 15.458 3.452 -10.973 1.00 0.00 H new ATOM 0 HG21 VAL A 78 15.855 0.480 -10.209 1.00 0.00 H new ATOM 0 HG22 VAL A 78 16.617 1.234 -11.629 1.00 0.00 H new ATOM 0 HG23 VAL A 78 17.621 0.407 -10.415 1.00 0.00 H new ATOM 1317 N VAL A 79 19.819 1.745 -11.192 1.00 0.00 N ATOM 1318 CA VAL A 79 21.114 1.111 -11.182 1.00 0.00 C ATOM 1319 C VAL A 79 22.219 2.164 -11.210 1.00 0.00 C ATOM 1320 O VAL A 79 23.164 1.981 -10.471 1.00 0.00 O ATOM 1321 CB VAL A 79 21.287 0.014 -12.250 1.00 0.00 C ATOM 1322 CG1 VAL A 79 20.388 -1.203 -12.006 1.00 0.00 C ATOM 1323 CG2 VAL A 79 21.178 0.425 -13.717 1.00 0.00 C ATOM 0 H VAL A 79 19.263 1.590 -12.033 1.00 0.00 H new ATOM 0 HA VAL A 79 21.195 0.565 -10.242 1.00 0.00 H new ATOM 0 HB VAL A 79 22.337 -0.241 -12.103 1.00 0.00 H new ATOM 0 HG11 VAL A 79 20.554 -1.941 -12.790 1.00 0.00 H new ATOM 0 HG12 VAL A 79 20.626 -1.643 -11.037 1.00 0.00 H new ATOM 0 HG13 VAL A 79 19.343 -0.892 -12.017 1.00 0.00 H new ATOM 0 HG21 VAL A 79 21.321 -0.450 -14.351 1.00 0.00 H new ATOM 0 HG22 VAL A 79 20.192 0.851 -13.903 1.00 0.00 H new ATOM 0 HG23 VAL A 79 21.943 1.167 -13.945 1.00 0.00 H new ATOM 1333 N LYS A 80 22.141 3.266 -11.970 1.00 0.00 N ATOM 1334 CA LYS A 80 23.231 4.250 -12.088 1.00 0.00 C ATOM 1335 C LYS A 80 23.600 4.858 -10.738 1.00 0.00 C ATOM 1336 O LYS A 80 24.785 5.021 -10.442 1.00 0.00 O ATOM 1337 CB LYS A 80 22.826 5.329 -13.109 1.00 0.00 C ATOM 1338 CG LYS A 80 23.848 6.459 -13.295 1.00 0.00 C ATOM 1339 CD LYS A 80 23.411 7.363 -14.457 1.00 0.00 C ATOM 1340 CE LYS A 80 24.393 8.527 -14.639 1.00 0.00 C ATOM 1341 NZ LYS A 80 24.043 9.381 -15.801 1.00 0.00 N ATOM 0 H LYS A 80 21.317 3.502 -12.523 1.00 0.00 H new ATOM 0 HA LYS A 80 24.127 3.742 -12.443 1.00 0.00 H new ATOM 0 HB2 LYS A 80 22.656 4.850 -14.073 1.00 0.00 H new ATOM 0 HB3 LYS A 80 21.877 5.765 -12.798 1.00 0.00 H new ATOM 0 HG2 LYS A 80 23.931 7.043 -12.378 1.00 0.00 H new ATOM 0 HG3 LYS A 80 24.834 6.041 -13.497 1.00 0.00 H new ATOM 0 HD2 LYS A 80 23.356 6.780 -15.377 1.00 0.00 H new ATOM 0 HD3 LYS A 80 22.411 7.751 -14.265 1.00 0.00 H new ATOM 0 HE2 LYS A 80 24.405 9.135 -13.734 1.00 0.00 H new ATOM 0 HE3 LYS A 80 25.401 8.133 -14.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 24.734 10.154 -15.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 24.057 8.809 -16.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 23.092 9.780 -15.665 1.00 0.00 H new ATOM 1355 N TYR A 81 22.600 5.173 -9.917 1.00 0.00 N ATOM 1356 CA TYR A 81 22.832 5.769 -8.603 1.00 0.00 C ATOM 1357 C TYR A 81 23.573 4.752 -7.725 1.00 0.00 C ATOM 1358 O TYR A 81 24.675 5.023 -7.213 1.00 0.00 O ATOM 1359 CB TYR A 81 21.495 6.193 -7.958 1.00 0.00 C ATOM 1360 CG TYR A 81 20.578 7.103 -8.769 1.00 0.00 C ATOM 1361 CD1 TYR A 81 21.093 8.126 -9.593 1.00 0.00 C ATOM 1362 CD2 TYR A 81 19.182 6.916 -8.688 1.00 0.00 C ATOM 1363 CE1 TYR A 81 20.227 8.931 -10.357 1.00 0.00 C ATOM 1364 CE2 TYR A 81 18.311 7.713 -9.452 1.00 0.00 C ATOM 1365 CZ TYR A 81 18.831 8.718 -10.296 1.00 0.00 C ATOM 1366 OH TYR A 81 17.974 9.461 -11.047 1.00 0.00 O ATOM 0 H TYR A 81 21.616 5.024 -10.141 1.00 0.00 H new ATOM 0 HA TYR A 81 23.443 6.666 -8.705 1.00 0.00 H new ATOM 0 HB2 TYR A 81 20.939 5.288 -7.712 1.00 0.00 H new ATOM 0 HB3 TYR A 81 21.720 6.695 -7.017 1.00 0.00 H new ATOM 0 HD1 TYR A 81 22.159 8.293 -9.638 1.00 0.00 H new ATOM 0 HD2 TYR A 81 18.780 6.156 -8.035 1.00 0.00 H new ATOM 0 HE1 TYR A 81 20.628 9.710 -10.988 1.00 0.00 H new ATOM 0 HE2 TYR A 81 17.244 7.556 -9.393 1.00 0.00 H new ATOM 0 HH TYR A 81 18.437 10.259 -11.378 1.00 0.00 H new ATOM 1376 N LEU A 82 22.958 3.568 -7.610 1.00 0.00 N ATOM 1377 CA LEU A 82 23.500 2.455 -6.849 1.00 0.00 C ATOM 1378 C LEU A 82 24.908 2.133 -7.339 1.00 0.00 C ATOM 1379 O LEU A 82 25.793 1.960 -6.519 1.00 0.00 O ATOM 1380 CB LEU A 82 22.557 1.246 -6.979 1.00 0.00 C ATOM 1381 CG LEU A 82 23.087 -0.053 -6.340 1.00 0.00 C ATOM 1382 CD1 LEU A 82 23.340 0.089 -4.834 1.00 0.00 C ATOM 1383 CD2 LEU A 82 22.077 -1.177 -6.586 1.00 0.00 C ATOM 0 H LEU A 82 22.061 3.362 -8.050 1.00 0.00 H new ATOM 0 HA LEU A 82 23.571 2.717 -5.793 1.00 0.00 H new ATOM 0 HB2 LEU A 82 21.601 1.497 -6.520 1.00 0.00 H new ATOM 0 HB3 LEU A 82 22.365 1.063 -8.036 1.00 0.00 H new ATOM 0 HG LEU A 82 24.046 -0.283 -6.805 1.00 0.00 H new ATOM 0 HD11 LEU A 82 23.712 -0.855 -4.437 1.00 0.00 H new ATOM 0 HD12 LEU A 82 24.079 0.871 -4.661 1.00 0.00 H new ATOM 0 HD13 LEU A 82 22.409 0.352 -4.332 1.00 0.00 H new ATOM 0 HD21 LEU A 82 22.444 -2.100 -6.137 1.00 0.00 H new ATOM 0 HD22 LEU A 82 21.120 -0.911 -6.138 1.00 0.00 H new ATOM 0 HD23 LEU A 82 21.947 -1.321 -7.659 1.00 0.00 H new ATOM 1395 N LEU A 83 25.122 2.103 -8.654 1.00 0.00 N ATOM 1396 CA LEU A 83 26.358 1.709 -9.311 1.00 0.00 C ATOM 1397 C LEU A 83 27.514 2.534 -8.794 1.00 0.00 C ATOM 1398 O LEU A 83 28.454 1.949 -8.273 1.00 0.00 O ATOM 1399 CB LEU A 83 26.241 1.855 -10.845 1.00 0.00 C ATOM 1400 CG LEU A 83 25.716 0.580 -11.529 1.00 0.00 C ATOM 1401 CD1 LEU A 83 25.082 0.874 -12.903 1.00 0.00 C ATOM 1402 CD2 LEU A 83 26.885 -0.404 -11.668 1.00 0.00 C ATOM 0 H LEU A 83 24.397 2.368 -9.321 1.00 0.00 H new ATOM 0 HA LEU A 83 26.543 0.660 -9.082 1.00 0.00 H new ATOM 0 HB2 LEU A 83 25.575 2.686 -11.076 1.00 0.00 H new ATOM 0 HB3 LEU A 83 27.218 2.106 -11.257 1.00 0.00 H new ATOM 0 HG LEU A 83 24.926 0.148 -10.915 1.00 0.00 H new ATOM 0 HD11 LEU A 83 24.727 -0.056 -13.346 1.00 0.00 H new ATOM 0 HD12 LEU A 83 24.244 1.560 -12.778 1.00 0.00 H new ATOM 0 HD13 LEU A 83 25.827 1.327 -13.558 1.00 0.00 H new ATOM 0 HD21 LEU A 83 26.537 -1.317 -12.151 1.00 0.00 H new ATOM 0 HD22 LEU A 83 27.672 0.048 -12.272 1.00 0.00 H new ATOM 0 HD23 LEU A 83 27.278 -0.644 -10.680 1.00 0.00 H new ATOM 1414 N ALA A 84 27.462 3.865 -8.884 1.00 0.00 N ATOM 1415 CA ALA A 84 28.596 4.651 -8.411 1.00 0.00 C ATOM 1416 C ALA A 84 28.829 4.425 -6.915 1.00 0.00 C ATOM 1417 O ALA A 84 29.984 4.335 -6.498 1.00 0.00 O ATOM 1418 CB ALA A 84 28.423 6.135 -8.740 1.00 0.00 C ATOM 0 H ALA A 84 26.681 4.400 -9.264 1.00 0.00 H new ATOM 0 HA ALA A 84 29.486 4.309 -8.939 1.00 0.00 H new ATOM 0 HB1 ALA A 84 29.285 6.692 -8.374 1.00 0.00 H new ATOM 0 HB2 ALA A 84 28.341 6.261 -9.820 1.00 0.00 H new ATOM 0 HB3 ALA A 84 27.519 6.511 -8.261 1.00 0.00 H new ATOM 1424 N SER A 85 27.769 4.281 -6.113 1.00 0.00 N ATOM 1425 CA SER A 85 27.942 3.996 -4.685 1.00 0.00 C ATOM 1426 C SER A 85 28.595 2.624 -4.439 1.00 0.00 C ATOM 1427 O SER A 85 29.497 2.484 -3.615 1.00 0.00 O ATOM 1428 CB SER A 85 26.578 4.106 -4.008 1.00 0.00 C ATOM 1429 OG SER A 85 25.950 5.307 -4.415 1.00 0.00 O ATOM 0 H SER A 85 26.799 4.355 -6.421 1.00 0.00 H new ATOM 0 HA SER A 85 28.627 4.725 -4.253 1.00 0.00 H new ATOM 0 HB2 SER A 85 25.958 3.250 -4.273 1.00 0.00 H new ATOM 0 HB3 SER A 85 26.695 4.092 -2.924 1.00 0.00 H new ATOM 0 HG SER A 85 26.223 6.037 -3.821 1.00 0.00 H new ATOM 1435 N LEU A 86 28.161 1.616 -5.186 1.00 0.00 N ATOM 1436 CA LEU A 86 28.476 0.204 -5.028 1.00 0.00 C ATOM 1437 C LEU A 86 29.845 -0.141 -5.617 1.00 0.00 C ATOM 1438 O LEU A 86 30.561 -0.978 -5.075 1.00 0.00 O ATOM 1439 CB LEU A 86 27.344 -0.536 -5.749 1.00 0.00 C ATOM 1440 CG LEU A 86 27.406 -2.063 -5.775 1.00 0.00 C ATOM 1441 CD1 LEU A 86 27.414 -2.661 -4.363 1.00 0.00 C ATOM 1442 CD2 LEU A 86 26.173 -2.528 -6.563 1.00 0.00 C ATOM 0 H LEU A 86 27.535 1.777 -5.975 1.00 0.00 H new ATOM 0 HA LEU A 86 28.542 -0.081 -3.978 1.00 0.00 H new ATOM 0 HB2 LEU A 86 26.402 -0.245 -5.284 1.00 0.00 H new ATOM 0 HB3 LEU A 86 27.314 -0.183 -6.780 1.00 0.00 H new ATOM 0 HG LEU A 86 28.331 -2.401 -6.243 1.00 0.00 H new ATOM 0 HD11 LEU A 86 27.459 -3.748 -4.429 1.00 0.00 H new ATOM 0 HD12 LEU A 86 28.284 -2.294 -3.817 1.00 0.00 H new ATOM 0 HD13 LEU A 86 26.505 -2.366 -3.838 1.00 0.00 H new ATOM 0 HD21 LEU A 86 26.164 -3.617 -6.615 1.00 0.00 H new ATOM 0 HD22 LEU A 86 25.269 -2.181 -6.062 1.00 0.00 H new ATOM 0 HD23 LEU A 86 26.210 -2.117 -7.572 1.00 0.00 H new ATOM 1454 N LYS A 87 30.238 0.525 -6.707 1.00 0.00 N ATOM 1455 CA LYS A 87 31.584 0.422 -7.264 1.00 0.00 C ATOM 1456 C LYS A 87 32.577 1.133 -6.339 1.00 0.00 C ATOM 1457 O LYS A 87 33.738 0.728 -6.284 1.00 0.00 O ATOM 1458 CB LYS A 87 31.632 1.038 -8.674 1.00 0.00 C ATOM 1459 CG LYS A 87 30.754 0.346 -9.735 1.00 0.00 C ATOM 1460 CD LYS A 87 31.281 -0.996 -10.267 1.00 0.00 C ATOM 1461 CE LYS A 87 30.345 -1.438 -11.407 1.00 0.00 C ATOM 1462 NZ LYS A 87 30.799 -2.644 -12.140 1.00 0.00 N ATOM 0 H LYS A 87 29.626 1.153 -7.228 1.00 0.00 H new ATOM 0 HA LYS A 87 31.857 -0.630 -7.342 1.00 0.00 H new ATOM 0 HB2 LYS A 87 31.330 2.083 -8.605 1.00 0.00 H new ATOM 0 HB3 LYS A 87 32.665 1.027 -9.021 1.00 0.00 H new ATOM 0 HG2 LYS A 87 29.764 0.183 -9.310 1.00 0.00 H new ATOM 0 HG3 LYS A 87 30.631 1.026 -10.578 1.00 0.00 H new ATOM 0 HD2 LYS A 87 32.304 -0.891 -10.629 1.00 0.00 H new ATOM 0 HD3 LYS A 87 31.299 -1.743 -9.474 1.00 0.00 H new ATOM 0 HE2 LYS A 87 29.355 -1.630 -10.994 1.00 0.00 H new ATOM 0 HE3 LYS A 87 30.241 -0.615 -12.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 30.512 -2.573 -13.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 31.835 -2.716 -12.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 30.369 -3.491 -11.716 1.00 0.00 H new ATOM 1476 N ASP A 88 32.148 2.183 -5.624 1.00 0.00 N ATOM 1477 CA ASP A 88 32.994 2.867 -4.644 1.00 0.00 C ATOM 1478 C ASP A 88 33.200 2.030 -3.377 1.00 0.00 C ATOM 1479 O ASP A 88 34.244 2.170 -2.734 1.00 0.00 O ATOM 1480 CB ASP A 88 32.435 4.250 -4.290 1.00 0.00 C ATOM 1481 CG ASP A 88 33.306 4.946 -3.230 1.00 0.00 C ATOM 1482 OD1 ASP A 88 34.457 5.325 -3.544 1.00 0.00 O ATOM 1483 OD2 ASP A 88 32.836 5.136 -2.086 1.00 0.00 O ATOM 0 H ASP A 88 31.211 2.577 -5.710 1.00 0.00 H new ATOM 0 HA ASP A 88 33.969 3.001 -5.113 1.00 0.00 H new ATOM 0 HB2 ASP A 88 32.387 4.867 -5.188 1.00 0.00 H new ATOM 0 HB3 ASP A 88 31.415 4.149 -3.918 1.00 0.00 H new ATOM 1488 N SER A 89 32.261 1.140 -3.027 1.00 0.00 N ATOM 1489 CA SER A 89 32.460 0.152 -1.965 1.00 0.00 C ATOM 1490 C SER A 89 33.719 -0.692 -2.231 1.00 0.00 C ATOM 1491 O SER A 89 34.082 -0.958 -3.379 1.00 0.00 O ATOM 1492 CB SER A 89 31.227 -0.755 -1.836 1.00 0.00 C ATOM 1493 OG SER A 89 30.026 -0.003 -1.781 1.00 0.00 O ATOM 0 H SER A 89 31.345 1.087 -3.473 1.00 0.00 H new ATOM 0 HA SER A 89 32.599 0.687 -1.026 1.00 0.00 H new ATOM 0 HB2 SER A 89 31.189 -1.440 -2.683 1.00 0.00 H new ATOM 0 HB3 SER A 89 31.316 -1.365 -0.937 1.00 0.00 H new ATOM 0 HG SER A 89 29.262 -0.612 -1.701 1.00 0.00 H new ATOM 1499 N LYS A 90 34.389 -1.139 -1.162 1.00 0.00 N ATOM 1500 CA LYS A 90 35.714 -1.770 -1.239 1.00 0.00 C ATOM 1501 C LYS A 90 35.602 -3.284 -1.465 1.00 0.00 C ATOM 1502 O LYS A 90 36.419 -4.057 -0.960 1.00 0.00 O ATOM 1503 CB LYS A 90 36.556 -1.393 0.001 1.00 0.00 C ATOM 1504 CG LYS A 90 36.565 0.110 0.357 1.00 0.00 C ATOM 1505 CD LYS A 90 36.922 1.038 -0.817 1.00 0.00 C ATOM 1506 CE LYS A 90 36.719 2.506 -0.417 1.00 0.00 C ATOM 1507 NZ LYS A 90 36.577 3.385 -1.602 1.00 0.00 N ATOM 0 H LYS A 90 34.025 -1.073 -0.212 1.00 0.00 H new ATOM 0 HA LYS A 90 36.243 -1.384 -2.110 1.00 0.00 H new ATOM 0 HB2 LYS A 90 36.180 -1.951 0.859 1.00 0.00 H new ATOM 0 HB3 LYS A 90 37.583 -1.717 -0.165 1.00 0.00 H new ATOM 0 HG2 LYS A 90 35.582 0.387 0.737 1.00 0.00 H new ATOM 0 HG3 LYS A 90 37.278 0.275 1.165 1.00 0.00 H new ATOM 0 HD2 LYS A 90 37.958 0.875 -1.116 1.00 0.00 H new ATOM 0 HD3 LYS A 90 36.300 0.800 -1.680 1.00 0.00 H new ATOM 0 HE2 LYS A 90 35.830 2.593 0.208 1.00 0.00 H new ATOM 0 HE3 LYS A 90 37.565 2.839 0.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 36.442 4.368 -1.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 37.435 3.322 -2.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 35.754 3.083 -2.162 1.00 0.00 H new ATOM 1521 N ASP A 91 34.569 -3.718 -2.186 1.00 0.00 N ATOM 1522 CA ASP A 91 34.276 -5.110 -2.521 1.00 0.00 C ATOM 1523 C ASP A 91 33.481 -5.115 -3.833 1.00 0.00 C ATOM 1524 O ASP A 91 32.878 -4.093 -4.174 1.00 0.00 O ATOM 1525 CB ASP A 91 33.458 -5.756 -1.391 1.00 0.00 C ATOM 1526 CG ASP A 91 33.237 -7.247 -1.662 1.00 0.00 C ATOM 1527 OD1 ASP A 91 34.127 -8.061 -1.325 1.00 0.00 O ATOM 1528 OD2 ASP A 91 32.194 -7.595 -2.253 1.00 0.00 O ATOM 0 H ASP A 91 33.878 -3.074 -2.572 1.00 0.00 H new ATOM 0 HA ASP A 91 35.196 -5.683 -2.639 1.00 0.00 H new ATOM 0 HB2 ASP A 91 33.977 -5.628 -0.441 1.00 0.00 H new ATOM 0 HB3 ASP A 91 32.496 -5.252 -1.299 1.00 0.00 H new ATOM 1533 N PHE A 92 33.469 -6.234 -4.568 1.00 0.00 N ATOM 1534 CA PHE A 92 32.764 -6.367 -5.846 1.00 0.00 C ATOM 1535 C PHE A 92 31.911 -7.643 -5.925 1.00 0.00 C ATOM 1536 O PHE A 92 31.162 -7.826 -6.886 1.00 0.00 O ATOM 1537 CB PHE A 92 33.770 -6.291 -7.008 1.00 0.00 C ATOM 1538 CG PHE A 92 34.615 -7.540 -7.204 1.00 0.00 C ATOM 1539 CD1 PHE A 92 35.689 -7.826 -6.337 1.00 0.00 C ATOM 1540 CD2 PHE A 92 34.310 -8.435 -8.248 1.00 0.00 C ATOM 1541 CE1 PHE A 92 36.431 -9.009 -6.497 1.00 0.00 C ATOM 1542 CE2 PHE A 92 35.071 -9.605 -8.425 1.00 0.00 C ATOM 1543 CZ PHE A 92 36.128 -9.896 -7.546 1.00 0.00 C ATOM 0 H PHE A 92 33.957 -7.084 -4.286 1.00 0.00 H new ATOM 0 HA PHE A 92 32.065 -5.535 -5.925 1.00 0.00 H new ATOM 0 HB2 PHE A 92 33.224 -6.091 -7.930 1.00 0.00 H new ATOM 0 HB3 PHE A 92 34.434 -5.443 -6.840 1.00 0.00 H new ATOM 0 HD1 PHE A 92 35.942 -7.134 -5.547 1.00 0.00 H new ATOM 0 HD2 PHE A 92 33.488 -8.222 -8.916 1.00 0.00 H new ATOM 0 HE1 PHE A 92 37.235 -9.237 -5.813 1.00 0.00 H new ATOM 0 HE2 PHE A 92 34.843 -10.280 -9.237 1.00 0.00 H new ATOM 0 HZ PHE A 92 36.707 -10.799 -7.675 1.00 0.00 H new ATOM 1553 N ASP A 93 31.988 -8.526 -4.925 1.00 0.00 N ATOM 1554 CA ASP A 93 31.140 -9.711 -4.848 1.00 0.00 C ATOM 1555 C ASP A 93 29.758 -9.318 -4.327 1.00 0.00 C ATOM 1556 O ASP A 93 28.743 -9.819 -4.808 1.00 0.00 O ATOM 1557 CB ASP A 93 31.771 -10.753 -3.924 1.00 0.00 C ATOM 1558 CG ASP A 93 30.825 -11.945 -3.742 1.00 0.00 C ATOM 1559 OD1 ASP A 93 30.706 -12.777 -4.669 1.00 0.00 O ATOM 1560 OD2 ASP A 93 30.197 -12.069 -2.668 1.00 0.00 O ATOM 0 H ASP A 93 32.642 -8.436 -4.147 1.00 0.00 H new ATOM 0 HA ASP A 93 31.040 -10.143 -5.844 1.00 0.00 H new ATOM 0 HB2 ASP A 93 32.719 -11.093 -4.341 1.00 0.00 H new ATOM 0 HB3 ASP A 93 31.992 -10.304 -2.956 1.00 0.00 H new ATOM 1565 N GLU A 94 29.699 -8.349 -3.412 1.00 0.00 N ATOM 1566 CA GLU A 94 28.442 -7.747 -2.992 1.00 0.00 C ATOM 1567 C GLU A 94 27.736 -7.145 -4.215 1.00 0.00 C ATOM 1568 O GLU A 94 26.524 -7.290 -4.370 1.00 0.00 O ATOM 1569 CB GLU A 94 28.718 -6.677 -1.919 1.00 0.00 C ATOM 1570 CG GLU A 94 27.518 -6.437 -0.997 1.00 0.00 C ATOM 1571 CD GLU A 94 27.303 -7.588 0.004 1.00 0.00 C ATOM 1572 OE1 GLU A 94 27.917 -7.572 1.095 1.00 0.00 O ATOM 1573 OE2 GLU A 94 26.498 -8.503 -0.275 1.00 0.00 O ATOM 0 H GLU A 94 30.520 -7.964 -2.946 1.00 0.00 H new ATOM 0 HA GLU A 94 27.788 -8.502 -2.556 1.00 0.00 H new ATOM 0 HB2 GLU A 94 29.575 -6.983 -1.320 1.00 0.00 H new ATOM 0 HB3 GLU A 94 28.988 -5.741 -2.407 1.00 0.00 H new ATOM 0 HG2 GLU A 94 27.665 -5.506 -0.449 1.00 0.00 H new ATOM 0 HG3 GLU A 94 26.619 -6.312 -1.601 1.00 0.00 H new ATOM 1580 N SER A 95 28.495 -6.524 -5.122 1.00 0.00 N ATOM 1581 CA SER A 95 27.963 -5.931 -6.338 1.00 0.00 C ATOM 1582 C SER A 95 27.308 -6.971 -7.248 1.00 0.00 C ATOM 1583 O SER A 95 26.261 -6.694 -7.839 1.00 0.00 O ATOM 1584 CB SER A 95 29.071 -5.172 -7.076 1.00 0.00 C ATOM 1585 OG SER A 95 29.860 -4.442 -6.153 1.00 0.00 O ATOM 0 H SER A 95 29.505 -6.421 -5.026 1.00 0.00 H new ATOM 0 HA SER A 95 27.180 -5.228 -6.053 1.00 0.00 H new ATOM 0 HB2 SER A 95 29.698 -5.873 -7.627 1.00 0.00 H new ATOM 0 HB3 SER A 95 28.632 -4.493 -7.808 1.00 0.00 H new ATOM 0 HG SER A 95 30.566 -3.962 -6.634 1.00 0.00 H new ATOM 1591 N LEU A 96 27.890 -8.174 -7.326 1.00 0.00 N ATOM 1592 CA LEU A 96 27.334 -9.296 -8.054 1.00 0.00 C ATOM 1593 C LEU A 96 25.942 -9.629 -7.514 1.00 0.00 C ATOM 1594 O LEU A 96 25.003 -9.740 -8.301 1.00 0.00 O ATOM 1595 CB LEU A 96 28.334 -10.461 -7.981 1.00 0.00 C ATOM 1596 CG LEU A 96 28.057 -11.658 -8.898 1.00 0.00 C ATOM 1597 CD1 LEU A 96 27.031 -12.628 -8.305 1.00 0.00 C ATOM 1598 CD2 LEU A 96 27.656 -11.240 -10.308 1.00 0.00 C ATOM 0 H LEU A 96 28.778 -8.388 -6.872 1.00 0.00 H new ATOM 0 HA LEU A 96 27.189 -9.061 -9.108 1.00 0.00 H new ATOM 0 HB2 LEU A 96 29.326 -10.074 -8.215 1.00 0.00 H new ATOM 0 HB3 LEU A 96 28.366 -10.819 -6.952 1.00 0.00 H new ATOM 0 HG LEU A 96 29.006 -12.190 -8.974 1.00 0.00 H new ATOM 0 HD11 LEU A 96 26.872 -13.457 -8.995 1.00 0.00 H new ATOM 0 HD12 LEU A 96 27.401 -13.013 -7.355 1.00 0.00 H new ATOM 0 HD13 LEU A 96 26.088 -12.106 -8.142 1.00 0.00 H new ATOM 0 HD21 LEU A 96 27.472 -12.128 -10.912 1.00 0.00 H new ATOM 0 HD22 LEU A 96 26.749 -10.637 -10.265 1.00 0.00 H new ATOM 0 HD23 LEU A 96 28.459 -10.656 -10.757 1.00 0.00 H new ATOM 1610 N LYS A 97 25.780 -9.718 -6.184 1.00 0.00 N ATOM 1611 CA LYS A 97 24.462 -9.944 -5.583 1.00 0.00 C ATOM 1612 C LYS A 97 23.518 -8.793 -5.923 1.00 0.00 C ATOM 1613 O LYS A 97 22.408 -9.043 -6.393 1.00 0.00 O ATOM 1614 CB LYS A 97 24.537 -10.102 -4.052 1.00 0.00 C ATOM 1615 CG LYS A 97 24.941 -11.497 -3.559 1.00 0.00 C ATOM 1616 CD LYS A 97 26.420 -11.838 -3.765 1.00 0.00 C ATOM 1617 CE LYS A 97 26.701 -13.186 -3.090 1.00 0.00 C ATOM 1618 NZ LYS A 97 28.062 -13.696 -3.368 1.00 0.00 N ATOM 0 H LYS A 97 26.542 -9.637 -5.511 1.00 0.00 H new ATOM 0 HA LYS A 97 24.081 -10.876 -6.001 1.00 0.00 H new ATOM 0 HB2 LYS A 97 25.250 -9.376 -3.662 1.00 0.00 H new ATOM 0 HB3 LYS A 97 23.564 -9.852 -3.629 1.00 0.00 H new ATOM 0 HG2 LYS A 97 24.707 -11.575 -2.497 1.00 0.00 H new ATOM 0 HG3 LYS A 97 24.334 -12.241 -4.075 1.00 0.00 H new ATOM 0 HD2 LYS A 97 26.653 -11.890 -4.828 1.00 0.00 H new ATOM 0 HD3 LYS A 97 27.052 -11.060 -3.337 1.00 0.00 H new ATOM 0 HE2 LYS A 97 26.570 -13.082 -2.013 1.00 0.00 H new ATOM 0 HE3 LYS A 97 25.968 -13.917 -3.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 28.145 -14.672 -3.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 28.236 -13.680 -4.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 28.763 -13.095 -2.888 1.00 0.00 H new ATOM 1632 N TYR A 98 23.948 -7.550 -5.678 1.00 0.00 N ATOM 1633 CA TYR A 98 23.098 -6.371 -5.797 1.00 0.00 C ATOM 1634 C TYR A 98 22.454 -6.288 -7.177 1.00 0.00 C ATOM 1635 O TYR A 98 21.230 -6.176 -7.267 1.00 0.00 O ATOM 1636 CB TYR A 98 23.893 -5.088 -5.500 1.00 0.00 C ATOM 1637 CG TYR A 98 23.722 -4.528 -4.099 1.00 0.00 C ATOM 1638 CD1 TYR A 98 22.566 -3.792 -3.772 1.00 0.00 C ATOM 1639 CD2 TYR A 98 24.737 -4.691 -3.138 1.00 0.00 C ATOM 1640 CE1 TYR A 98 22.433 -3.208 -2.499 1.00 0.00 C ATOM 1641 CE2 TYR A 98 24.612 -4.109 -1.863 1.00 0.00 C ATOM 1642 CZ TYR A 98 23.459 -3.360 -1.539 1.00 0.00 C ATOM 1643 OH TYR A 98 23.320 -2.782 -0.312 1.00 0.00 O ATOM 0 H TYR A 98 24.903 -7.338 -5.390 1.00 0.00 H new ATOM 0 HA TYR A 98 22.303 -6.465 -5.057 1.00 0.00 H new ATOM 0 HB2 TYR A 98 24.951 -5.289 -5.666 1.00 0.00 H new ATOM 0 HB3 TYR A 98 23.598 -4.323 -6.218 1.00 0.00 H new ATOM 0 HD1 TYR A 98 21.778 -3.676 -4.502 1.00 0.00 H new ATOM 0 HD2 TYR A 98 25.618 -5.267 -3.381 1.00 0.00 H new ATOM 0 HE1 TYR A 98 21.546 -2.643 -2.255 1.00 0.00 H new ATOM 0 HE2 TYR A 98 25.397 -4.235 -1.132 1.00 0.00 H new ATOM 0 HH TYR A 98 24.109 -2.980 0.234 1.00 0.00 H new ATOM 1653 N LEU A 99 23.246 -6.335 -8.253 1.00 0.00 N ATOM 1654 CA LEU A 99 22.696 -6.037 -9.567 1.00 0.00 C ATOM 1655 C LEU A 99 22.040 -7.263 -10.184 1.00 0.00 C ATOM 1656 O LEU A 99 21.129 -7.082 -10.984 1.00 0.00 O ATOM 1657 CB LEU A 99 23.737 -5.380 -10.485 1.00 0.00 C ATOM 1658 CG LEU A 99 23.552 -3.857 -10.580 1.00 0.00 C ATOM 1659 CD1 LEU A 99 23.728 -3.174 -9.218 1.00 0.00 C ATOM 1660 CD2 LEU A 99 24.568 -3.287 -11.571 1.00 0.00 C ATOM 0 H LEU A 99 24.239 -6.569 -8.238 1.00 0.00 H new ATOM 0 HA LEU A 99 21.905 -5.298 -9.440 1.00 0.00 H new ATOM 0 HB2 LEU A 99 24.737 -5.600 -10.112 1.00 0.00 H new ATOM 0 HB3 LEU A 99 23.666 -5.815 -11.482 1.00 0.00 H new ATOM 0 HG LEU A 99 22.535 -3.662 -10.921 1.00 0.00 H new ATOM 0 HD11 LEU A 99 23.589 -2.099 -9.330 1.00 0.00 H new ATOM 0 HD12 LEU A 99 22.990 -3.564 -8.517 1.00 0.00 H new ATOM 0 HD13 LEU A 99 24.730 -3.373 -8.838 1.00 0.00 H new ATOM 0 HD21 LEU A 99 24.441 -2.207 -11.642 1.00 0.00 H new ATOM 0 HD22 LEU A 99 25.578 -3.512 -11.227 1.00 0.00 H new ATOM 0 HD23 LEU A 99 24.411 -3.736 -12.552 1.00 0.00 H new ATOM 1672 N ASP A 100 22.414 -8.487 -9.796 1.00 0.00 N ATOM 1673 CA ASP A 100 21.672 -9.676 -10.211 1.00 0.00 C ATOM 1674 C ASP A 100 20.257 -9.651 -9.629 1.00 0.00 C ATOM 1675 O ASP A 100 19.293 -9.916 -10.344 1.00 0.00 O ATOM 1676 CB ASP A 100 22.392 -10.952 -9.769 1.00 0.00 C ATOM 1677 CG ASP A 100 21.563 -12.194 -10.136 1.00 0.00 C ATOM 1678 OD1 ASP A 100 21.502 -12.552 -11.333 1.00 0.00 O ATOM 1679 OD2 ASP A 100 20.998 -12.841 -9.225 1.00 0.00 O ATOM 0 H ASP A 100 23.220 -8.677 -9.200 1.00 0.00 H new ATOM 0 HA ASP A 100 21.611 -9.671 -11.299 1.00 0.00 H new ATOM 0 HB2 ASP A 100 23.371 -11.007 -10.245 1.00 0.00 H new ATOM 0 HB3 ASP A 100 22.562 -10.926 -8.693 1.00 0.00 H new ATOM 1684 N ASP A 101 20.114 -9.279 -8.351 1.00 0.00 N ATOM 1685 CA ASP A 101 18.807 -9.192 -7.701 1.00 0.00 C ATOM 1686 C ASP A 101 17.968 -8.061 -8.301 1.00 0.00 C ATOM 1687 O ASP A 101 16.790 -8.249 -8.602 1.00 0.00 O ATOM 1688 CB ASP A 101 18.975 -8.970 -6.196 1.00 0.00 C ATOM 1689 CG ASP A 101 17.605 -8.823 -5.513 1.00 0.00 C ATOM 1690 OD1 ASP A 101 16.911 -9.846 -5.324 1.00 0.00 O ATOM 1691 OD2 ASP A 101 17.234 -7.692 -5.126 1.00 0.00 O ATOM 0 H ASP A 101 20.896 -9.032 -7.745 1.00 0.00 H new ATOM 0 HA ASP A 101 18.286 -10.135 -7.869 1.00 0.00 H new ATOM 0 HB2 ASP A 101 19.517 -9.808 -5.758 1.00 0.00 H new ATOM 0 HB3 ASP A 101 19.573 -8.076 -6.020 1.00 0.00 H new ATOM 1696 N LEU A 102 18.577 -6.895 -8.527 1.00 0.00 N ATOM 1697 CA LEU A 102 17.882 -5.744 -9.097 1.00 0.00 C ATOM 1698 C LEU A 102 17.471 -6.020 -10.548 1.00 0.00 C ATOM 1699 O LEU A 102 16.335 -5.729 -10.929 1.00 0.00 O ATOM 1700 CB LEU A 102 18.779 -4.512 -8.938 1.00 0.00 C ATOM 1701 CG LEU A 102 18.180 -3.168 -9.393 1.00 0.00 C ATOM 1702 CD1 LEU A 102 16.741 -2.916 -8.921 1.00 0.00 C ATOM 1703 CD2 LEU A 102 19.083 -2.066 -8.825 1.00 0.00 C ATOM 0 H LEU A 102 19.561 -6.725 -8.320 1.00 0.00 H new ATOM 0 HA LEU A 102 16.950 -5.551 -8.566 1.00 0.00 H new ATOM 0 HB2 LEU A 102 19.057 -4.425 -7.888 1.00 0.00 H new ATOM 0 HB3 LEU A 102 19.698 -4.684 -9.498 1.00 0.00 H new ATOM 0 HG LEU A 102 18.135 -3.179 -10.482 1.00 0.00 H new ATOM 0 HD11 LEU A 102 16.402 -1.947 -9.288 1.00 0.00 H new ATOM 0 HD12 LEU A 102 16.089 -3.699 -9.308 1.00 0.00 H new ATOM 0 HD13 LEU A 102 16.709 -2.923 -7.831 1.00 0.00 H new ATOM 0 HD21 LEU A 102 18.698 -1.091 -9.122 1.00 0.00 H new ATOM 0 HD22 LEU A 102 19.099 -2.134 -7.737 1.00 0.00 H new ATOM 0 HD23 LEU A 102 20.095 -2.189 -9.212 1.00 0.00 H new ATOM 1715 N LYS A 103 18.341 -6.659 -11.342 1.00 0.00 N ATOM 1716 CA LYS A 103 17.969 -7.160 -12.664 1.00 0.00 C ATOM 1717 C LYS A 103 16.773 -8.095 -12.530 1.00 0.00 C ATOM 1718 O LYS A 103 15.836 -7.961 -13.309 1.00 0.00 O ATOM 1719 CB LYS A 103 19.153 -7.889 -13.330 1.00 0.00 C ATOM 1720 CG LYS A 103 18.741 -8.751 -14.538 1.00 0.00 C ATOM 1721 CD LYS A 103 19.961 -9.161 -15.373 1.00 0.00 C ATOM 1722 CE LYS A 103 19.614 -10.128 -16.518 1.00 0.00 C ATOM 1723 NZ LYS A 103 19.146 -11.460 -16.056 1.00 0.00 N ATOM 0 H LYS A 103 19.312 -6.840 -11.086 1.00 0.00 H new ATOM 0 HA LYS A 103 17.699 -6.316 -13.300 1.00 0.00 H new ATOM 0 HB2 LYS A 103 19.888 -7.152 -13.653 1.00 0.00 H new ATOM 0 HB3 LYS A 103 19.642 -8.523 -12.590 1.00 0.00 H new ATOM 0 HG2 LYS A 103 18.220 -9.643 -14.190 1.00 0.00 H new ATOM 0 HG3 LYS A 103 18.041 -8.195 -15.162 1.00 0.00 H new ATOM 0 HD2 LYS A 103 20.425 -8.267 -15.789 1.00 0.00 H new ATOM 0 HD3 LYS A 103 20.699 -9.629 -14.721 1.00 0.00 H new ATOM 0 HE2 LYS A 103 18.841 -9.677 -17.140 1.00 0.00 H new ATOM 0 HE3 LYS A 103 20.493 -10.261 -17.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 19.408 -12.182 -16.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 19.590 -11.687 -15.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 18.112 -11.445 -15.944 1.00 0.00 H new ATOM 1737 N ALA A 104 16.785 -9.026 -11.572 1.00 0.00 N ATOM 1738 CA ALA A 104 15.719 -10.008 -11.437 1.00 0.00 C ATOM 1739 C ALA A 104 14.375 -9.325 -11.177 1.00 0.00 C ATOM 1740 O ALA A 104 13.382 -9.734 -11.771 1.00 0.00 O ATOM 1741 CB ALA A 104 16.042 -11.042 -10.354 1.00 0.00 C ATOM 0 H ALA A 104 17.527 -9.116 -10.878 1.00 0.00 H new ATOM 0 HA ALA A 104 15.641 -10.546 -12.382 1.00 0.00 H new ATOM 0 HB1 ALA A 104 15.225 -11.759 -10.281 1.00 0.00 H new ATOM 0 HB2 ALA A 104 16.962 -11.566 -10.614 1.00 0.00 H new ATOM 0 HB3 ALA A 104 16.169 -10.538 -9.396 1.00 0.00 H new ATOM 1747 N GLN A 105 14.321 -8.253 -10.378 1.00 0.00 N ATOM 1748 CA GLN A 105 13.079 -7.501 -10.193 1.00 0.00 C ATOM 1749 C GLN A 105 12.583 -6.949 -11.534 1.00 0.00 C ATOM 1750 O GLN A 105 11.416 -7.120 -11.883 1.00 0.00 O ATOM 1751 CB GLN A 105 13.261 -6.363 -9.174 1.00 0.00 C ATOM 1752 CG GLN A 105 13.527 -6.842 -7.738 1.00 0.00 C ATOM 1753 CD GLN A 105 12.400 -7.723 -7.193 1.00 0.00 C ATOM 1754 OE1 GLN A 105 12.578 -8.913 -6.950 1.00 0.00 O ATOM 1755 NE2 GLN A 105 11.209 -7.173 -7.009 1.00 0.00 N ATOM 0 H GLN A 105 15.117 -7.890 -9.854 1.00 0.00 H new ATOM 0 HA GLN A 105 12.328 -8.185 -9.797 1.00 0.00 H new ATOM 0 HB2 GLN A 105 14.090 -5.732 -9.494 1.00 0.00 H new ATOM 0 HB3 GLN A 105 12.367 -5.740 -9.178 1.00 0.00 H new ATOM 0 HG2 GLN A 105 14.463 -7.399 -7.712 1.00 0.00 H new ATOM 0 HG3 GLN A 105 13.653 -5.976 -7.088 1.00 0.00 H new ATOM 0 HE21 GLN A 105 11.067 -6.184 -7.213 1.00 0.00 H new ATOM 0 HE22 GLN A 105 10.434 -7.739 -6.664 1.00 0.00 H new ATOM 1764 N PHE A 106 13.468 -6.352 -12.334 1.00 0.00 N ATOM 1765 CA PHE A 106 13.108 -5.854 -13.660 1.00 0.00 C ATOM 1766 C PHE A 106 12.837 -6.973 -14.672 1.00 0.00 C ATOM 1767 O PHE A 106 12.211 -6.717 -15.701 1.00 0.00 O ATOM 1768 CB PHE A 106 14.164 -4.857 -14.144 1.00 0.00 C ATOM 1769 CG PHE A 106 14.178 -3.534 -13.398 1.00 0.00 C ATOM 1770 CD1 PHE A 106 12.996 -2.775 -13.267 1.00 0.00 C ATOM 1771 CD2 PHE A 106 15.384 -3.039 -12.863 1.00 0.00 C ATOM 1772 CE1 PHE A 106 13.018 -1.543 -12.593 1.00 0.00 C ATOM 1773 CE2 PHE A 106 15.408 -1.795 -12.209 1.00 0.00 C ATOM 1774 CZ PHE A 106 14.225 -1.047 -12.076 1.00 0.00 C ATOM 0 H PHE A 106 14.445 -6.202 -12.083 1.00 0.00 H new ATOM 0 HA PHE A 106 12.157 -5.329 -13.574 1.00 0.00 H new ATOM 0 HB2 PHE A 106 15.147 -5.319 -14.055 1.00 0.00 H new ATOM 0 HB3 PHE A 106 13.999 -4.659 -15.203 1.00 0.00 H new ATOM 0 HD1 PHE A 106 12.071 -3.143 -13.686 1.00 0.00 H new ATOM 0 HD2 PHE A 106 16.292 -3.617 -12.956 1.00 0.00 H new ATOM 0 HE1 PHE A 106 12.106 -0.977 -12.472 1.00 0.00 H new ATOM 0 HE2 PHE A 106 16.336 -1.414 -11.808 1.00 0.00 H new ATOM 0 HZ PHE A 106 14.245 -0.090 -11.576 1.00 0.00 H new ATOM 1784 N GLN A 107 13.246 -8.207 -14.382 1.00 0.00 N ATOM 1785 CA GLN A 107 12.952 -9.371 -15.201 1.00 0.00 C ATOM 1786 C GLN A 107 11.566 -9.921 -14.840 1.00 0.00 C ATOM 1787 O GLN A 107 10.845 -10.375 -15.724 1.00 0.00 O ATOM 1788 CB GLN A 107 14.076 -10.400 -15.008 1.00 0.00 C ATOM 1789 CG GLN A 107 14.104 -11.468 -16.109 1.00 0.00 C ATOM 1790 CD GLN A 107 15.320 -12.390 -15.979 1.00 0.00 C ATOM 1791 OE1 GLN A 107 16.423 -11.962 -15.643 1.00 0.00 O ATOM 1792 NE2 GLN A 107 15.158 -13.675 -16.245 1.00 0.00 N ATOM 0 H GLN A 107 13.801 -8.425 -13.555 1.00 0.00 H new ATOM 0 HA GLN A 107 12.917 -9.111 -16.259 1.00 0.00 H new ATOM 0 HB2 GLN A 107 15.035 -9.883 -14.986 1.00 0.00 H new ATOM 0 HB3 GLN A 107 13.954 -10.886 -14.040 1.00 0.00 H new ATOM 0 HG2 GLN A 107 13.191 -12.062 -16.062 1.00 0.00 H new ATOM 0 HG3 GLN A 107 14.119 -10.983 -17.085 1.00 0.00 H new ATOM 0 HE21 GLN A 107 14.242 -14.027 -16.523 1.00 0.00 H new ATOM 0 HE22 GLN A 107 15.949 -14.315 -16.172 1.00 0.00 H new ATOM 1801 N GLU A 108 11.135 -9.818 -13.579 1.00 0.00 N ATOM 1802 CA GLU A 108 9.755 -10.115 -13.194 1.00 0.00 C ATOM 1803 C GLU A 108 8.819 -9.049 -13.781 1.00 0.00 C ATOM 1804 O GLU A 108 7.702 -9.362 -14.197 1.00 0.00 O ATOM 1805 CB GLU A 108 9.619 -10.156 -11.661 1.00 0.00 C ATOM 1806 CG GLU A 108 10.372 -11.321 -10.999 1.00 0.00 C ATOM 1807 CD GLU A 108 9.771 -12.692 -11.361 1.00 0.00 C ATOM 1808 OE1 GLU A 108 8.758 -13.098 -10.748 1.00 0.00 O ATOM 1809 OE2 GLU A 108 10.316 -13.391 -12.245 1.00 0.00 O ATOM 0 H GLU A 108 11.729 -9.528 -12.802 1.00 0.00 H new ATOM 0 HA GLU A 108 9.480 -11.093 -13.588 1.00 0.00 H new ATOM 0 HB2 GLU A 108 9.988 -9.217 -11.248 1.00 0.00 H new ATOM 0 HB3 GLU A 108 8.563 -10.225 -11.402 1.00 0.00 H new ATOM 0 HG2 GLU A 108 11.418 -11.294 -11.305 1.00 0.00 H new ATOM 0 HG3 GLU A 108 10.353 -11.194 -9.917 1.00 0.00 H new ATOM 1816 N LEU A 109 9.284 -7.797 -13.864 1.00 0.00 N ATOM 1817 CA LEU A 109 8.567 -6.686 -14.489 1.00 0.00 C ATOM 1818 C LEU A 109 8.697 -6.700 -16.018 1.00 0.00 C ATOM 1819 O LEU A 109 8.200 -5.781 -16.672 1.00 0.00 O ATOM 1820 CB LEU A 109 9.067 -5.344 -13.922 1.00 0.00 C ATOM 1821 CG LEU A 109 8.761 -5.118 -12.428 1.00 0.00 C ATOM 1822 CD1 LEU A 109 9.571 -3.926 -11.905 1.00 0.00 C ATOM 1823 CD2 LEU A 109 7.267 -4.863 -12.189 1.00 0.00 C ATOM 0 H LEU A 109 10.192 -7.525 -13.488 1.00 0.00 H new ATOM 0 HA LEU A 109 7.510 -6.806 -14.253 1.00 0.00 H new ATOM 0 HB2 LEU A 109 10.145 -5.282 -14.071 1.00 0.00 H new ATOM 0 HB3 LEU A 109 8.619 -4.533 -14.497 1.00 0.00 H new ATOM 0 HG LEU A 109 9.042 -6.024 -11.891 1.00 0.00 H new ATOM 0 HD11 LEU A 109 9.350 -3.771 -10.849 1.00 0.00 H new ATOM 0 HD12 LEU A 109 10.635 -4.127 -12.028 1.00 0.00 H new ATOM 0 HD13 LEU A 109 9.304 -3.030 -12.466 1.00 0.00 H new ATOM 0 HD21 LEU A 109 7.090 -4.708 -11.125 1.00 0.00 H new ATOM 0 HD22 LEU A 109 6.956 -3.976 -12.741 1.00 0.00 H new ATOM 0 HD23 LEU A 109 6.692 -5.723 -12.531 1.00 0.00 H new ATOM 1835 N ASP A 110 9.346 -7.701 -16.622 1.00 0.00 N ATOM 1836 CA ASP A 110 9.572 -7.734 -18.069 1.00 0.00 C ATOM 1837 C ASP A 110 8.248 -7.667 -18.827 1.00 0.00 C ATOM 1838 O ASP A 110 8.066 -6.808 -19.690 1.00 0.00 O ATOM 1839 CB ASP A 110 10.349 -8.990 -18.469 1.00 0.00 C ATOM 1840 CG ASP A 110 10.527 -9.090 -19.992 1.00 0.00 C ATOM 1841 OD1 ASP A 110 11.539 -8.574 -20.512 1.00 0.00 O ATOM 1842 OD2 ASP A 110 9.689 -9.736 -20.660 1.00 0.00 O ATOM 0 H ASP A 110 9.727 -8.506 -16.125 1.00 0.00 H new ATOM 0 HA ASP A 110 10.167 -6.860 -18.335 1.00 0.00 H new ATOM 0 HB2 ASP A 110 11.327 -8.981 -17.989 1.00 0.00 H new ATOM 0 HB3 ASP A 110 9.824 -9.873 -18.106 1.00 0.00 H new ATOM 2059 N GLY A 125 16.850 -2.237 -20.431 1.00 0.00 N ATOM 2060 CA GLY A 125 16.914 -1.955 -19.006 1.00 0.00 C ATOM 2061 C GLY A 125 17.380 -3.138 -18.154 1.00 0.00 C ATOM 2062 O GLY A 125 17.612 -2.936 -16.966 1.00 0.00 O ATOM 0 HA2 GLY A 125 17.590 -1.115 -18.843 1.00 0.00 H new ATOM 0 HA3 GLY A 125 15.928 -1.641 -18.664 1.00 0.00 H new ATOM 2066 N ILE A 126 17.550 -4.339 -18.726 1.00 0.00 N ATOM 2067 CA ILE A 126 18.194 -5.471 -18.054 1.00 0.00 C ATOM 2068 C ILE A 126 19.329 -6.081 -18.875 1.00 0.00 C ATOM 2069 O ILE A 126 20.227 -6.659 -18.271 1.00 0.00 O ATOM 2070 CB ILE A 126 17.190 -6.532 -17.544 1.00 0.00 C ATOM 2071 CG1 ILE A 126 16.123 -6.976 -18.566 1.00 0.00 C ATOM 2072 CG2 ILE A 126 16.566 -6.021 -16.239 1.00 0.00 C ATOM 2073 CD1 ILE A 126 15.129 -7.985 -17.965 1.00 0.00 C ATOM 0 H ILE A 126 17.241 -4.551 -19.675 1.00 0.00 H new ATOM 0 HA ILE A 126 18.657 -5.052 -17.161 1.00 0.00 H new ATOM 0 HB ILE A 126 17.753 -7.448 -17.367 1.00 0.00 H new ATOM 0 HG12 ILE A 126 15.579 -6.102 -18.924 1.00 0.00 H new ATOM 0 HG13 ILE A 126 16.614 -7.423 -19.431 1.00 0.00 H new ATOM 0 HG21 ILE A 126 15.854 -6.756 -15.864 1.00 0.00 H new ATOM 0 HG22 ILE A 126 17.350 -5.863 -15.498 1.00 0.00 H new ATOM 0 HG23 ILE A 126 16.050 -5.080 -16.427 1.00 0.00 H new ATOM 0 HD11 ILE A 126 14.397 -8.269 -18.721 1.00 0.00 H new ATOM 0 HD12 ILE A 126 15.668 -8.872 -17.631 1.00 0.00 H new ATOM 0 HD13 ILE A 126 14.617 -7.530 -17.117 1.00 0.00 H new ATOM 2085 N LEU A 127 19.385 -5.898 -20.197 1.00 0.00 N ATOM 2086 CA LEU A 127 20.558 -6.270 -20.989 1.00 0.00 C ATOM 2087 C LEU A 127 21.779 -5.449 -20.553 1.00 0.00 C ATOM 2088 O LEU A 127 22.886 -5.984 -20.464 1.00 0.00 O ATOM 2089 CB LEU A 127 20.249 -6.064 -22.481 1.00 0.00 C ATOM 2090 CG LEU A 127 21.403 -6.439 -23.431 1.00 0.00 C ATOM 2091 CD1 LEU A 127 21.829 -7.906 -23.292 1.00 0.00 C ATOM 2092 CD2 LEU A 127 20.962 -6.176 -24.876 1.00 0.00 C ATOM 0 H LEU A 127 18.626 -5.492 -20.743 1.00 0.00 H new ATOM 0 HA LEU A 127 20.794 -7.321 -20.824 1.00 0.00 H new ATOM 0 HB2 LEU A 127 19.373 -6.657 -22.743 1.00 0.00 H new ATOM 0 HB3 LEU A 127 19.987 -5.019 -22.644 1.00 0.00 H new ATOM 0 HG LEU A 127 22.263 -5.825 -23.164 1.00 0.00 H new ATOM 0 HD11 LEU A 127 22.645 -8.115 -23.984 1.00 0.00 H new ATOM 0 HD12 LEU A 127 22.162 -8.093 -22.271 1.00 0.00 H new ATOM 0 HD13 LEU A 127 20.983 -8.554 -23.522 1.00 0.00 H new ATOM 0 HD21 LEU A 127 21.772 -6.438 -25.557 1.00 0.00 H new ATOM 0 HD22 LEU A 127 20.085 -6.782 -25.105 1.00 0.00 H new ATOM 0 HD23 LEU A 127 20.715 -5.121 -24.995 1.00 0.00 H new ATOM 2104 N LEU A 128 21.571 -4.165 -20.233 1.00 0.00 N ATOM 2105 CA LEU A 128 22.618 -3.330 -19.649 1.00 0.00 C ATOM 2106 C LEU A 128 23.080 -3.943 -18.331 1.00 0.00 C ATOM 2107 O LEU A 128 24.279 -4.112 -18.128 1.00 0.00 O ATOM 2108 CB LEU A 128 22.121 -1.883 -19.468 1.00 0.00 C ATOM 2109 CG LEU A 128 23.132 -0.863 -18.886 1.00 0.00 C ATOM 2110 CD1 LEU A 128 23.299 -0.936 -17.360 1.00 0.00 C ATOM 2111 CD2 LEU A 128 24.512 -0.927 -19.555 1.00 0.00 C ATOM 0 H LEU A 128 20.682 -3.684 -20.371 1.00 0.00 H new ATOM 0 HA LEU A 128 23.473 -3.290 -20.324 1.00 0.00 H new ATOM 0 HB2 LEU A 128 21.788 -1.515 -20.438 1.00 0.00 H new ATOM 0 HB3 LEU A 128 21.247 -1.903 -18.817 1.00 0.00 H new ATOM 0 HG LEU A 128 22.675 0.099 -19.120 1.00 0.00 H new ATOM 0 HD11 LEU A 128 24.024 -0.189 -17.037 1.00 0.00 H new ATOM 0 HD12 LEU A 128 22.340 -0.743 -16.879 1.00 0.00 H new ATOM 0 HD13 LEU A 128 23.652 -1.929 -17.080 1.00 0.00 H new ATOM 0 HD21 LEU A 128 25.171 -0.187 -19.101 1.00 0.00 H new ATOM 0 HD22 LEU A 128 24.936 -1.922 -19.420 1.00 0.00 H new ATOM 0 HD23 LEU A 128 24.410 -0.717 -20.620 1.00 0.00 H new ATOM 2123 N ILE A 129 22.148 -4.307 -17.445 1.00 0.00 N ATOM 2124 CA ILE A 129 22.495 -4.811 -16.117 1.00 0.00 C ATOM 2125 C ILE A 129 23.195 -6.173 -16.255 1.00 0.00 C ATOM 2126 O ILE A 129 24.143 -6.441 -15.523 1.00 0.00 O ATOM 2127 CB ILE A 129 21.263 -4.848 -15.174 1.00 0.00 C ATOM 2128 CG1 ILE A 129 20.489 -3.505 -15.182 1.00 0.00 C ATOM 2129 CG2 ILE A 129 21.744 -5.148 -13.740 1.00 0.00 C ATOM 2130 CD1 ILE A 129 19.201 -3.496 -14.341 1.00 0.00 C ATOM 0 H ILE A 129 21.145 -4.261 -17.626 1.00 0.00 H new ATOM 0 HA ILE A 129 23.195 -4.124 -15.642 1.00 0.00 H new ATOM 0 HB ILE A 129 20.586 -5.625 -15.528 1.00 0.00 H new ATOM 0 HG12 ILE A 129 21.150 -2.719 -14.817 1.00 0.00 H new ATOM 0 HG13 ILE A 129 20.235 -3.255 -16.212 1.00 0.00 H new ATOM 0 HG21 ILE A 129 20.887 -5.177 -13.067 1.00 0.00 H new ATOM 0 HG22 ILE A 129 22.253 -6.112 -13.721 1.00 0.00 H new ATOM 0 HG23 ILE A 129 22.433 -4.368 -13.417 1.00 0.00 H new ATOM 0 HD11 ILE A 129 18.729 -2.516 -14.408 1.00 0.00 H new ATOM 0 HD12 ILE A 129 18.515 -4.255 -14.718 1.00 0.00 H new ATOM 0 HD13 ILE A 129 19.444 -3.711 -13.301 1.00 0.00 H new ATOM 2142 N ASP A 130 22.801 -7.011 -17.217 1.00 0.00 N ATOM 2143 CA ASP A 130 23.475 -8.276 -17.506 1.00 0.00 C ATOM 2144 C ASP A 130 24.921 -8.038 -17.939 1.00 0.00 C ATOM 2145 O ASP A 130 25.827 -8.721 -17.465 1.00 0.00 O ATOM 2146 CB ASP A 130 22.739 -9.037 -18.612 1.00 0.00 C ATOM 2147 CG ASP A 130 23.441 -10.372 -18.907 1.00 0.00 C ATOM 2148 OD1 ASP A 130 23.311 -11.313 -18.093 1.00 0.00 O ATOM 2149 OD2 ASP A 130 24.094 -10.498 -19.966 1.00 0.00 O ATOM 0 H ASP A 130 21.999 -6.828 -17.821 1.00 0.00 H new ATOM 0 HA ASP A 130 23.470 -8.869 -16.591 1.00 0.00 H new ATOM 0 HB2 ASP A 130 21.708 -9.221 -18.311 1.00 0.00 H new ATOM 0 HB3 ASP A 130 22.703 -8.430 -19.517 1.00 0.00 H new ATOM 2154 N SER A 131 25.145 -7.042 -18.798 1.00 0.00 N ATOM 2155 CA SER A 131 26.477 -6.671 -19.266 1.00 0.00 C ATOM 2156 C SER A 131 27.317 -6.085 -18.120 1.00 0.00 C ATOM 2157 O SER A 131 28.514 -6.357 -18.016 1.00 0.00 O ATOM 2158 CB SER A 131 26.341 -5.666 -20.420 1.00 0.00 C ATOM 2159 OG SER A 131 25.472 -6.148 -21.435 1.00 0.00 O ATOM 0 H SER A 131 24.399 -6.467 -19.190 1.00 0.00 H new ATOM 0 HA SER A 131 26.995 -7.561 -19.625 1.00 0.00 H new ATOM 0 HB2 SER A 131 25.962 -4.719 -20.036 1.00 0.00 H new ATOM 0 HB3 SER A 131 27.324 -5.466 -20.847 1.00 0.00 H new ATOM 0 HG SER A 131 24.543 -6.075 -21.132 1.00 0.00 H new ATOM 2165 N GLU A 132 26.685 -5.311 -17.237 1.00 0.00 N ATOM 2166 CA GLU A 132 27.319 -4.721 -16.069 1.00 0.00 C ATOM 2167 C GLU A 132 27.754 -5.826 -15.100 1.00 0.00 C ATOM 2168 O GLU A 132 28.888 -5.825 -14.621 1.00 0.00 O ATOM 2169 CB GLU A 132 26.332 -3.730 -15.434 1.00 0.00 C ATOM 2170 CG GLU A 132 26.932 -2.866 -14.323 1.00 0.00 C ATOM 2171 CD GLU A 132 28.110 -2.017 -14.812 1.00 0.00 C ATOM 2172 OE1 GLU A 132 27.914 -1.125 -15.666 1.00 0.00 O ATOM 2173 OE2 GLU A 132 29.264 -2.282 -14.403 1.00 0.00 O ATOM 0 H GLU A 132 25.696 -5.075 -17.320 1.00 0.00 H new ATOM 0 HA GLU A 132 28.221 -4.174 -16.344 1.00 0.00 H new ATOM 0 HB2 GLU A 132 25.939 -3.077 -16.213 1.00 0.00 H new ATOM 0 HB3 GLU A 132 25.487 -4.287 -15.029 1.00 0.00 H new ATOM 0 HG2 GLU A 132 26.160 -2.212 -13.919 1.00 0.00 H new ATOM 0 HG3 GLU A 132 27.265 -3.508 -13.507 1.00 0.00 H new ATOM 2180 N ILE A 133 26.877 -6.802 -14.853 1.00 0.00 N ATOM 2181 CA ILE A 133 27.178 -7.973 -14.045 1.00 0.00 C ATOM 2182 C ILE A 133 28.283 -8.804 -14.699 1.00 0.00 C ATOM 2183 O ILE A 133 29.190 -9.228 -13.985 1.00 0.00 O ATOM 2184 CB ILE A 133 25.874 -8.763 -13.760 1.00 0.00 C ATOM 2185 CG1 ILE A 133 25.045 -8.092 -12.642 1.00 0.00 C ATOM 2186 CG2 ILE A 133 26.112 -10.232 -13.380 1.00 0.00 C ATOM 2187 CD1 ILE A 133 25.792 -7.900 -11.311 1.00 0.00 C ATOM 0 H ILE A 133 25.924 -6.795 -15.217 1.00 0.00 H new ATOM 0 HA ILE A 133 27.573 -7.673 -13.074 1.00 0.00 H new ATOM 0 HB ILE A 133 25.325 -8.748 -14.701 1.00 0.00 H new ATOM 0 HG12 ILE A 133 24.705 -7.118 -12.995 1.00 0.00 H new ATOM 0 HG13 ILE A 133 24.154 -8.693 -12.459 1.00 0.00 H new ATOM 0 HG21 ILE A 133 25.155 -10.720 -13.195 1.00 0.00 H new ATOM 0 HG22 ILE A 133 26.627 -10.740 -14.195 1.00 0.00 H new ATOM 0 HG23 ILE A 133 26.723 -10.280 -12.479 1.00 0.00 H new ATOM 0 HD11 ILE A 133 25.131 -7.422 -10.588 1.00 0.00 H new ATOM 0 HD12 ILE A 133 26.108 -8.870 -10.928 1.00 0.00 H new ATOM 0 HD13 ILE A 133 26.668 -7.271 -11.473 1.00 0.00 H new ATOM 2199 N ALA A 134 28.268 -9.004 -16.020 1.00 0.00 N ATOM 2200 CA ALA A 134 29.318 -9.750 -16.703 1.00 0.00 C ATOM 2201 C ALA A 134 30.678 -9.084 -16.476 1.00 0.00 C ATOM 2202 O ALA A 134 31.624 -9.751 -16.058 1.00 0.00 O ATOM 2203 CB ALA A 134 28.998 -9.879 -18.197 1.00 0.00 C ATOM 0 H ALA A 134 27.534 -8.656 -16.637 1.00 0.00 H new ATOM 0 HA ALA A 134 29.366 -10.756 -16.286 1.00 0.00 H new ATOM 0 HB1 ALA A 134 29.792 -10.438 -18.692 1.00 0.00 H new ATOM 0 HB2 ALA A 134 28.051 -10.404 -18.322 1.00 0.00 H new ATOM 0 HB3 ALA A 134 28.923 -8.886 -18.640 1.00 0.00 H new ATOM 2209 N ARG A 135 30.776 -7.766 -16.687 1.00 0.00 N ATOM 2210 CA ARG A 135 32.014 -7.029 -16.427 1.00 0.00 C ATOM 2211 C ARG A 135 32.405 -7.116 -14.951 1.00 0.00 C ATOM 2212 O ARG A 135 33.573 -7.356 -14.657 1.00 0.00 O ATOM 2213 CB ARG A 135 31.879 -5.568 -16.882 1.00 0.00 C ATOM 2214 CG ARG A 135 31.978 -5.431 -18.412 1.00 0.00 C ATOM 2215 CD ARG A 135 32.015 -3.971 -18.893 1.00 0.00 C ATOM 2216 NE ARG A 135 30.686 -3.328 -18.885 1.00 0.00 N ATOM 2217 CZ ARG A 135 30.124 -2.647 -17.878 1.00 0.00 C ATOM 2218 NH1 ARG A 135 30.762 -2.467 -16.726 1.00 0.00 N ATOM 2219 NH2 ARG A 135 28.901 -2.152 -18.016 1.00 0.00 N ATOM 0 H ARG A 135 30.011 -7.189 -17.037 1.00 0.00 H new ATOM 0 HA ARG A 135 32.814 -7.490 -17.007 1.00 0.00 H new ATOM 0 HB2 ARG A 135 30.923 -5.169 -16.543 1.00 0.00 H new ATOM 0 HB3 ARG A 135 32.659 -4.968 -16.413 1.00 0.00 H new ATOM 0 HG2 ARG A 135 32.876 -5.943 -18.758 1.00 0.00 H new ATOM 0 HG3 ARG A 135 31.127 -5.935 -18.870 1.00 0.00 H new ATOM 0 HD2 ARG A 135 32.692 -3.401 -18.256 1.00 0.00 H new ATOM 0 HD3 ARG A 135 32.423 -3.937 -19.903 1.00 0.00 H new ATOM 0 HE ARG A 135 30.136 -3.412 -19.740 1.00 0.00 H new ATOM 0 HH11 ARG A 135 31.698 -2.851 -16.596 1.00 0.00 H new ATOM 0 HH12 ARG A 135 30.316 -1.945 -15.972 1.00 0.00 H new ATOM 0 HH21 ARG A 135 28.390 -2.290 -18.888 1.00 0.00 H new ATOM 0 HH22 ARG A 135 28.471 -1.633 -17.250 1.00 0.00 H new ATOM 2233 N THR A 136 31.455 -6.972 -14.028 1.00 0.00 N ATOM 2234 CA THR A 136 31.719 -7.066 -12.594 1.00 0.00 C ATOM 2235 C THR A 136 32.289 -8.449 -12.239 1.00 0.00 C ATOM 2236 O THR A 136 33.281 -8.535 -11.518 1.00 0.00 O ATOM 2237 CB THR A 136 30.425 -6.729 -11.830 1.00 0.00 C ATOM 2238 OG1 THR A 136 30.015 -5.417 -12.173 1.00 0.00 O ATOM 2239 CG2 THR A 136 30.573 -6.782 -10.308 1.00 0.00 C ATOM 0 H THR A 136 30.478 -6.786 -14.255 1.00 0.00 H new ATOM 0 HA THR A 136 32.480 -6.345 -12.296 1.00 0.00 H new ATOM 0 HB THR A 136 29.696 -7.486 -12.119 1.00 0.00 H new ATOM 0 HG1 THR A 136 29.586 -5.428 -13.054 1.00 0.00 H new ATOM 0 HG21 THR A 136 29.620 -6.533 -9.841 1.00 0.00 H new ATOM 0 HG22 THR A 136 30.874 -7.785 -10.006 1.00 0.00 H new ATOM 0 HG23 THR A 136 31.331 -6.065 -9.991 1.00 0.00 H new ATOM 2247 N TYR A 137 31.713 -9.528 -12.774 1.00 0.00 N ATOM 2248 CA TYR A 137 32.167 -10.891 -12.524 1.00 0.00 C ATOM 2249 C TYR A 137 33.554 -11.137 -13.137 1.00 0.00 C ATOM 2250 O TYR A 137 34.382 -11.832 -12.544 1.00 0.00 O ATOM 2251 CB TYR A 137 31.126 -11.865 -13.092 1.00 0.00 C ATOM 2252 CG TYR A 137 31.417 -13.325 -12.808 1.00 0.00 C ATOM 2253 CD1 TYR A 137 31.075 -13.880 -11.560 1.00 0.00 C ATOM 2254 CD2 TYR A 137 32.033 -14.130 -13.788 1.00 0.00 C ATOM 2255 CE1 TYR A 137 31.345 -15.232 -11.285 1.00 0.00 C ATOM 2256 CE2 TYR A 137 32.307 -15.483 -13.520 1.00 0.00 C ATOM 2257 CZ TYR A 137 31.965 -16.042 -12.267 1.00 0.00 C ATOM 2258 OH TYR A 137 32.235 -17.355 -12.019 1.00 0.00 O ATOM 0 H TYR A 137 30.909 -9.475 -13.400 1.00 0.00 H new ATOM 0 HA TYR A 137 32.266 -11.051 -11.450 1.00 0.00 H new ATOM 0 HB2 TYR A 137 30.149 -11.615 -12.680 1.00 0.00 H new ATOM 0 HB3 TYR A 137 31.063 -11.722 -14.171 1.00 0.00 H new ATOM 0 HD1 TYR A 137 30.603 -13.263 -10.810 1.00 0.00 H new ATOM 0 HD2 TYR A 137 32.295 -13.707 -14.746 1.00 0.00 H new ATOM 0 HE1 TYR A 137 31.080 -15.652 -10.326 1.00 0.00 H new ATOM 0 HE2 TYR A 137 32.780 -16.096 -14.273 1.00 0.00 H new ATOM 0 HH TYR A 137 32.661 -17.756 -12.806 1.00 0.00 H new ATOM 2268 N LEU A 138 33.816 -10.557 -14.314 1.00 0.00 N ATOM 2269 CA LEU A 138 35.094 -10.676 -15.014 1.00 0.00 C ATOM 2270 C LEU A 138 36.213 -9.918 -14.284 1.00 0.00 C ATOM 2271 O LEU A 138 37.378 -10.306 -14.389 1.00 0.00 O ATOM 2272 CB LEU A 138 34.918 -10.150 -16.450 1.00 0.00 C ATOM 2273 CG LEU A 138 36.168 -10.244 -17.350 1.00 0.00 C ATOM 2274 CD1 LEU A 138 36.660 -11.686 -17.524 1.00 0.00 C ATOM 2275 CD2 LEU A 138 35.840 -9.657 -18.729 1.00 0.00 C ATOM 0 H LEU A 138 33.134 -9.984 -14.812 1.00 0.00 H new ATOM 0 HA LEU A 138 35.391 -11.724 -15.038 1.00 0.00 H new ATOM 0 HB2 LEU A 138 34.108 -10.704 -16.924 1.00 0.00 H new ATOM 0 HB3 LEU A 138 34.605 -9.107 -16.400 1.00 0.00 H new ATOM 0 HG LEU A 138 36.965 -9.681 -16.864 1.00 0.00 H new ATOM 0 HD11 LEU A 138 37.541 -11.695 -18.166 1.00 0.00 H new ATOM 0 HD12 LEU A 138 36.916 -12.103 -16.550 1.00 0.00 H new ATOM 0 HD13 LEU A 138 35.873 -12.286 -17.980 1.00 0.00 H new ATOM 0 HD21 LEU A 138 36.719 -9.720 -19.370 1.00 0.00 H new ATOM 0 HD22 LEU A 138 35.022 -10.220 -19.179 1.00 0.00 H new ATOM 0 HD23 LEU A 138 35.545 -8.613 -18.619 1.00 0.00 H new