USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 458 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 21 ASN : amide:sc= -5.66! C(o=-30!,f=-37!) USER MOD Set 1.2: A 26 GLN :FLIP amide:sc= -0.301 F(o=-32,f=-30) USER MOD Set 1.3: A 52 ASN : amide:sc= -17.1! C(o=-30!,f=-37!) USER MOD Set 1.4: A 55 GLN : amide:sc= -6.56! C(o=-30!,f=-32!) USER MOD Set 2.1: A 1 VAL N :NH3+ 169:sc= -0.232 (180deg=-0.523) USER MOD Set 2.2: A 10 GLN : amide:sc= -1.34 X(o=-1.6,f=-1.8) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0345) USER MOD Single : A 6 ASN : amide:sc= 0.335 K(o=0.34,f=-4.6!) USER MOD Single : A 7 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.143) USER MOD Single : A 9 GLN : amide:sc= -5.17! C(o=-5.2!,f=-7.9!) USER MOD Single : A 11 ASN : amide:sc= -0.245 K(o=-0.25,f=-1.2!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HD1:sc= -0.343 X(o=-0.34,f=-0.36) USER MOD Single : A 23 ASN : amide:sc= 0.374 K(o=0.37,f=-5.9!) USER MOD Single : A 28 ASN :FLIP amide:sc= -0.908 F(o=-1.4,f=-0.91) USER MOD Single : A 32 GLN : amide:sc= -0.0621 K(o=-0.062,f=-1.5!) USER MOD Single : A 33 SER OG : rot 180:sc=-0.00527 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot -46:sc= 0.714 USER MOD Single : A 40 GLN : amide:sc=-0.00542 X(o=-0.0054,f=-0.27) USER MOD Single : A 41 SER OG : rot 105:sc= 1.26 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ -140:sc= 0.991 (180deg=0.124) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -151:sc= -0.221 (180deg=-0.946) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 9.053 -1.384 12.251 1.00 0.00 N ATOM 2 CA VAL A 1 8.564 -2.547 13.035 1.00 0.00 C ATOM 3 C VAL A 1 9.667 -3.581 13.226 1.00 0.00 C ATOM 4 O VAL A 1 10.328 -3.985 12.269 1.00 0.00 O ATOM 5 CB VAL A 1 7.364 -3.217 12.347 1.00 0.00 C ATOM 6 CG1 VAL A 1 6.098 -2.407 12.579 1.00 0.00 C ATOM 7 CG2 VAL A 1 7.632 -3.388 10.859 1.00 0.00 C ATOM 0 H1 VAL A 1 8.247 -0.787 11.976 1.00 0.00 H new ATOM 0 H2 VAL A 1 9.714 -0.828 12.830 1.00 0.00 H new ATOM 0 H3 VAL A 1 9.541 -1.722 11.397 1.00 0.00 H new ATOM 0 HA VAL A 1 8.252 -2.168 14.008 1.00 0.00 H new ATOM 0 HB VAL A 1 7.220 -4.206 12.783 1.00 0.00 H new ATOM 0 HG11 VAL A 1 5.258 -2.895 12.085 1.00 0.00 H new ATOM 0 HG12 VAL A 1 5.900 -2.339 13.649 1.00 0.00 H new ATOM 0 HG13 VAL A 1 6.227 -1.405 12.170 1.00 0.00 H new ATOM 0 HG21 VAL A 1 6.773 -3.864 10.387 1.00 0.00 H new ATOM 0 HG22 VAL A 1 7.801 -2.411 10.405 1.00 0.00 H new ATOM 0 HG23 VAL A 1 8.515 -4.011 10.718 1.00 0.00 H new ATOM 19 N ASP A 2 9.867 -3.996 14.472 1.00 0.00 N ATOM 20 CA ASP A 2 10.893 -4.971 14.803 1.00 0.00 C ATOM 21 C ASP A 2 10.319 -6.378 14.979 1.00 0.00 C ATOM 22 O ASP A 2 11.013 -7.371 14.761 1.00 0.00 O ATOM 23 CB ASP A 2 11.626 -4.549 16.077 1.00 0.00 C ATOM 24 CG ASP A 2 12.868 -5.380 16.332 1.00 0.00 C ATOM 25 OD1 ASP A 2 13.609 -5.654 15.365 1.00 0.00 O ATOM 26 OD2 ASP A 2 13.099 -5.757 17.500 1.00 0.00 O ATOM 0 H ASP A 2 9.327 -3.668 15.273 1.00 0.00 H new ATOM 0 HA ASP A 2 11.591 -5.002 13.967 1.00 0.00 H new ATOM 0 HB2 ASP A 2 11.905 -3.498 16.001 1.00 0.00 H new ATOM 0 HB3 ASP A 2 10.951 -4.639 16.928 1.00 0.00 H new ATOM 31 N ASN A 3 9.052 -6.454 15.377 1.00 0.00 N ATOM 32 CA ASN A 3 8.387 -7.740 15.586 1.00 0.00 C ATOM 33 C ASN A 3 7.079 -7.827 14.796 1.00 0.00 C ATOM 34 O ASN A 3 6.387 -8.843 14.860 1.00 0.00 O ATOM 35 CB ASN A 3 8.110 -7.952 17.077 1.00 0.00 C ATOM 36 CG ASN A 3 8.816 -9.175 17.628 1.00 0.00 C ATOM 37 OD1 ASN A 3 10.026 -9.158 17.855 1.00 0.00 O ATOM 38 ND2 ASN A 3 8.061 -10.245 17.848 1.00 0.00 N ATOM 0 H ASN A 3 8.464 -5.641 15.562 1.00 0.00 H new ATOM 0 HA ASN A 3 9.053 -8.524 15.225 1.00 0.00 H new ATOM 0 HB2 ASN A 3 8.430 -7.070 17.632 1.00 0.00 H new ATOM 0 HB3 ASN A 3 7.036 -8.055 17.233 1.00 0.00 H new ATOM 0 HD21 ASN A 3 8.480 -11.097 18.220 1.00 0.00 H new ATOM 0 HD22 ASN A 3 7.062 -10.215 17.645 1.00 0.00 H new ATOM 45 N LYS A 4 6.724 -6.772 14.070 1.00 0.00 N ATOM 46 CA LYS A 4 5.481 -6.777 13.307 1.00 0.00 C ATOM 47 C LYS A 4 5.701 -7.230 11.863 1.00 0.00 C ATOM 48 O LYS A 4 5.465 -8.390 11.527 1.00 0.00 O ATOM 49 CB LYS A 4 4.827 -5.392 13.341 1.00 0.00 C ATOM 50 CG LYS A 4 4.819 -4.758 14.723 1.00 0.00 C ATOM 51 CD LYS A 4 3.555 -3.948 14.957 1.00 0.00 C ATOM 52 CE LYS A 4 3.654 -3.113 16.222 1.00 0.00 C ATOM 53 NZ LYS A 4 3.843 -3.958 17.434 1.00 0.00 N ATOM 0 H LYS A 4 7.270 -5.914 13.994 1.00 0.00 H new ATOM 0 HA LYS A 4 4.811 -7.497 13.777 1.00 0.00 H new ATOM 0 HB2 LYS A 4 5.354 -4.733 12.651 1.00 0.00 H new ATOM 0 HB3 LYS A 4 3.801 -5.475 12.982 1.00 0.00 H new ATOM 0 HG2 LYS A 4 4.899 -5.536 15.482 1.00 0.00 H new ATOM 0 HG3 LYS A 4 5.691 -4.114 14.834 1.00 0.00 H new ATOM 0 HD2 LYS A 4 3.377 -3.295 14.102 1.00 0.00 H new ATOM 0 HD3 LYS A 4 2.700 -4.620 15.029 1.00 0.00 H new ATOM 0 HE2 LYS A 4 4.487 -2.416 16.132 1.00 0.00 H new ATOM 0 HE3 LYS A 4 2.749 -2.515 16.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 3.787 -3.362 18.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 3.099 -4.684 17.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 4.775 -4.418 17.394 1.00 0.00 H new ATOM 67 N PHE A 5 6.134 -6.307 11.010 1.00 0.00 N ATOM 68 CA PHE A 5 6.363 -6.608 9.605 1.00 0.00 C ATOM 69 C PHE A 5 7.832 -6.425 9.232 1.00 0.00 C ATOM 70 O PHE A 5 8.685 -6.243 10.101 1.00 0.00 O ATOM 71 CB PHE A 5 5.479 -5.702 8.748 1.00 0.00 C ATOM 72 CG PHE A 5 4.009 -5.858 9.037 1.00 0.00 C ATOM 73 CD1 PHE A 5 3.491 -7.084 9.429 1.00 0.00 C ATOM 74 CD2 PHE A 5 3.145 -4.780 8.923 1.00 0.00 C ATOM 75 CE1 PHE A 5 2.145 -7.230 9.699 1.00 0.00 C ATOM 76 CE2 PHE A 5 1.798 -4.921 9.192 1.00 0.00 C ATOM 77 CZ PHE A 5 1.297 -6.148 9.581 1.00 0.00 C ATOM 0 H PHE A 5 6.333 -5.341 11.271 1.00 0.00 H new ATOM 0 HA PHE A 5 6.106 -7.651 9.423 1.00 0.00 H new ATOM 0 HB2 PHE A 5 5.767 -4.664 8.913 1.00 0.00 H new ATOM 0 HB3 PHE A 5 5.660 -5.919 7.695 1.00 0.00 H new ATOM 0 HD1 PHE A 5 4.149 -7.935 9.524 1.00 0.00 H new ATOM 0 HD2 PHE A 5 3.530 -3.818 8.620 1.00 0.00 H new ATOM 0 HE1 PHE A 5 1.756 -8.191 10.002 1.00 0.00 H new ATOM 0 HE2 PHE A 5 1.137 -4.072 9.098 1.00 0.00 H new ATOM 0 HZ PHE A 5 0.244 -6.260 9.792 1.00 0.00 H new ATOM 87 N ASN A 6 8.121 -6.476 7.934 1.00 0.00 N ATOM 88 CA ASN A 6 9.487 -6.316 7.447 1.00 0.00 C ATOM 89 C ASN A 6 9.630 -5.032 6.635 1.00 0.00 C ATOM 90 O ASN A 6 8.655 -4.314 6.411 1.00 0.00 O ATOM 91 CB ASN A 6 9.892 -7.522 6.596 1.00 0.00 C ATOM 92 CG ASN A 6 11.288 -8.015 6.921 1.00 0.00 C ATOM 93 OD1 ASN A 6 12.262 -7.269 6.820 1.00 0.00 O ATOM 94 ND2 ASN A 6 11.392 -9.279 7.314 1.00 0.00 N ATOM 0 H ASN A 6 7.427 -6.627 7.202 1.00 0.00 H new ATOM 0 HA ASN A 6 10.149 -6.252 8.311 1.00 0.00 H new ATOM 0 HB2 ASN A 6 9.178 -8.331 6.753 1.00 0.00 H new ATOM 0 HB3 ASN A 6 9.841 -7.253 5.541 1.00 0.00 H new ATOM 0 HD21 ASN A 6 12.306 -9.667 7.546 1.00 0.00 H new ATOM 0 HD22 ASN A 6 10.558 -9.862 7.384 1.00 0.00 H new ATOM 101 N LYS A 7 10.855 -4.747 6.201 1.00 0.00 N ATOM 102 CA LYS A 7 11.132 -3.547 5.418 1.00 0.00 C ATOM 103 C LYS A 7 10.378 -3.566 4.092 1.00 0.00 C ATOM 104 O LYS A 7 9.849 -2.545 3.655 1.00 0.00 O ATOM 105 CB LYS A 7 12.635 -3.416 5.164 1.00 0.00 C ATOM 106 CG LYS A 7 13.267 -4.670 4.582 1.00 0.00 C ATOM 107 CD LYS A 7 13.627 -4.487 3.116 1.00 0.00 C ATOM 108 CE LYS A 7 15.030 -3.925 2.954 1.00 0.00 C ATOM 109 NZ LYS A 7 15.025 -2.439 2.858 1.00 0.00 N ATOM 0 H LYS A 7 11.672 -5.331 6.379 1.00 0.00 H new ATOM 0 HA LYS A 7 10.789 -2.686 5.991 1.00 0.00 H new ATOM 0 HB2 LYS A 7 12.808 -2.583 4.483 1.00 0.00 H new ATOM 0 HB3 LYS A 7 13.133 -3.170 6.102 1.00 0.00 H new ATOM 0 HG2 LYS A 7 14.163 -4.923 5.148 1.00 0.00 H new ATOM 0 HG3 LYS A 7 12.577 -5.508 4.686 1.00 0.00 H new ATOM 0 HD2 LYS A 7 13.555 -5.445 2.600 1.00 0.00 H new ATOM 0 HD3 LYS A 7 12.908 -3.817 2.645 1.00 0.00 H new ATOM 0 HE2 LYS A 7 15.644 -4.232 3.801 1.00 0.00 H new ATOM 0 HE3 LYS A 7 15.488 -4.345 2.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 15.966 -2.107 2.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 14.317 -2.139 2.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 14.788 -2.032 3.785 1.00 0.00 H new ATOM 123 N GLU A 8 10.331 -4.732 3.455 1.00 0.00 N ATOM 124 CA GLU A 8 9.639 -4.878 2.178 1.00 0.00 C ATOM 125 C GLU A 8 8.180 -4.448 2.297 1.00 0.00 C ATOM 126 O GLU A 8 7.590 -3.943 1.343 1.00 0.00 O ATOM 127 CB GLU A 8 9.720 -6.326 1.691 1.00 0.00 C ATOM 128 CG GLU A 8 9.166 -7.335 2.684 1.00 0.00 C ATOM 129 CD GLU A 8 8.421 -8.470 2.009 1.00 0.00 C ATOM 130 OE1 GLU A 8 9.086 -9.355 1.430 1.00 0.00 O ATOM 131 OE2 GLU A 8 7.173 -8.473 2.058 1.00 0.00 O ATOM 0 H GLU A 8 10.763 -5.589 3.801 1.00 0.00 H new ATOM 0 HA GLU A 8 10.131 -4.231 1.451 1.00 0.00 H new ATOM 0 HB2 GLU A 8 9.174 -6.416 0.752 1.00 0.00 H new ATOM 0 HB3 GLU A 8 10.761 -6.571 1.479 1.00 0.00 H new ATOM 0 HG2 GLU A 8 9.985 -7.744 3.275 1.00 0.00 H new ATOM 0 HG3 GLU A 8 8.495 -6.827 3.377 1.00 0.00 H new ATOM 138 N GLN A 9 7.604 -4.659 3.475 1.00 0.00 N ATOM 139 CA GLN A 9 6.217 -4.303 3.726 1.00 0.00 C ATOM 140 C GLN A 9 6.087 -2.845 4.157 1.00 0.00 C ATOM 141 O GLN A 9 5.089 -2.190 3.861 1.00 0.00 O ATOM 142 CB GLN A 9 5.627 -5.214 4.803 1.00 0.00 C ATOM 143 CG GLN A 9 4.186 -4.883 5.155 1.00 0.00 C ATOM 144 CD GLN A 9 4.074 -3.795 6.197 1.00 0.00 C ATOM 145 OE1 GLN A 9 5.051 -3.447 6.859 1.00 0.00 O ATOM 146 NE2 GLN A 9 2.875 -3.254 6.346 1.00 0.00 N ATOM 0 H GLN A 9 8.081 -5.077 4.274 1.00 0.00 H new ATOM 0 HA GLN A 9 5.665 -4.434 2.795 1.00 0.00 H new ATOM 0 HB2 GLN A 9 5.681 -6.248 4.462 1.00 0.00 H new ATOM 0 HB3 GLN A 9 6.238 -5.142 5.703 1.00 0.00 H new ATOM 0 HG2 GLN A 9 3.659 -4.572 4.253 1.00 0.00 H new ATOM 0 HG3 GLN A 9 3.690 -5.782 5.520 1.00 0.00 H new ATOM 0 HE21 GLN A 9 2.095 -3.577 5.773 1.00 0.00 H new ATOM 0 HE22 GLN A 9 2.731 -2.515 7.034 1.00 0.00 H new ATOM 155 N GLN A 10 7.098 -2.342 4.858 1.00 0.00 N ATOM 156 CA GLN A 10 7.087 -0.966 5.329 1.00 0.00 C ATOM 157 C GLN A 10 7.531 -0.007 4.234 1.00 0.00 C ATOM 158 O GLN A 10 7.088 1.143 4.198 1.00 0.00 O ATOM 159 CB GLN A 10 7.989 -0.816 6.555 1.00 0.00 C ATOM 160 CG GLN A 10 7.298 -1.165 7.864 1.00 0.00 C ATOM 161 CD GLN A 10 7.766 -0.309 9.017 1.00 0.00 C ATOM 162 OE1 GLN A 10 8.909 0.147 9.049 1.00 0.00 O ATOM 163 NE2 GLN A 10 6.878 -0.089 9.974 1.00 0.00 N ATOM 0 H GLN A 10 7.934 -2.868 5.111 1.00 0.00 H new ATOM 0 HA GLN A 10 6.063 -0.715 5.607 1.00 0.00 H new ATOM 0 HB2 GLN A 10 8.863 -1.456 6.433 1.00 0.00 H new ATOM 0 HB3 GLN A 10 8.350 0.211 6.607 1.00 0.00 H new ATOM 0 HG2 GLN A 10 6.221 -1.048 7.744 1.00 0.00 H new ATOM 0 HG3 GLN A 10 7.481 -2.214 8.098 1.00 0.00 H new ATOM 0 HE21 GLN A 10 5.942 -0.489 9.903 1.00 0.00 H new ATOM 0 HE22 GLN A 10 7.130 0.480 10.782 1.00 0.00 H new ATOM 172 N ASN A 11 8.340 -0.487 3.297 1.00 0.00 N ATOM 173 CA ASN A 11 8.745 0.344 2.176 1.00 0.00 C ATOM 174 C ASN A 11 7.553 0.452 1.239 1.00 0.00 C ATOM 175 O ASN A 11 7.251 1.522 0.707 1.00 0.00 O ATOM 176 CB ASN A 11 9.953 -0.256 1.452 1.00 0.00 C ATOM 177 CG ASN A 11 10.572 0.703 0.464 1.00 0.00 C ATOM 178 OD1 ASN A 11 9.911 1.609 -0.043 1.00 0.00 O ATOM 179 ND2 ASN A 11 11.851 0.504 0.185 1.00 0.00 N ATOM 0 H ASN A 11 8.722 -1.433 3.292 1.00 0.00 H new ATOM 0 HA ASN A 11 9.048 1.331 2.527 1.00 0.00 H new ATOM 0 HB2 ASN A 11 10.703 -0.550 2.186 1.00 0.00 H new ATOM 0 HB3 ASN A 11 9.646 -1.162 0.930 1.00 0.00 H new ATOM 0 HD21 ASN A 11 12.330 1.116 -0.476 1.00 0.00 H new ATOM 0 HD22 ASN A 11 12.357 -0.261 0.631 1.00 0.00 H new ATOM 186 N ALA A 12 6.847 -0.664 1.086 1.00 0.00 N ATOM 187 CA ALA A 12 5.654 -0.699 0.263 1.00 0.00 C ATOM 188 C ALA A 12 4.574 0.143 0.922 1.00 0.00 C ATOM 189 O ALA A 12 3.827 0.861 0.256 1.00 0.00 O ATOM 190 CB ALA A 12 5.179 -2.132 0.071 1.00 0.00 C ATOM 0 H ALA A 12 7.085 -1.554 1.524 1.00 0.00 H new ATOM 0 HA ALA A 12 5.879 -0.290 -0.722 1.00 0.00 H new ATOM 0 HB1 ALA A 12 4.283 -2.138 -0.549 1.00 0.00 H new ATOM 0 HB2 ALA A 12 5.962 -2.713 -0.417 1.00 0.00 H new ATOM 0 HB3 ALA A 12 4.952 -2.573 1.042 1.00 0.00 H new ATOM 196 N PHE A 13 4.512 0.055 2.250 1.00 0.00 N ATOM 197 CA PHE A 13 3.545 0.808 3.025 1.00 0.00 C ATOM 198 C PHE A 13 3.708 2.296 2.788 1.00 0.00 C ATOM 199 O PHE A 13 2.747 2.997 2.472 1.00 0.00 O ATOM 200 CB PHE A 13 3.705 0.497 4.506 1.00 0.00 C ATOM 201 CG PHE A 13 2.511 0.895 5.301 1.00 0.00 C ATOM 202 CD1 PHE A 13 2.217 2.229 5.490 1.00 0.00 C ATOM 203 CD2 PHE A 13 1.677 -0.063 5.840 1.00 0.00 C ATOM 204 CE1 PHE A 13 1.104 2.608 6.213 1.00 0.00 C ATOM 205 CE2 PHE A 13 0.561 0.303 6.563 1.00 0.00 C ATOM 206 CZ PHE A 13 0.273 1.643 6.751 1.00 0.00 C ATOM 0 H PHE A 13 5.127 -0.536 2.809 1.00 0.00 H new ATOM 0 HA PHE A 13 2.545 0.515 2.704 1.00 0.00 H new ATOM 0 HB2 PHE A 13 3.884 -0.571 4.633 1.00 0.00 H new ATOM 0 HB3 PHE A 13 4.584 1.015 4.891 1.00 0.00 H new ATOM 0 HD1 PHE A 13 2.864 2.984 5.068 1.00 0.00 H new ATOM 0 HD2 PHE A 13 1.900 -1.110 5.694 1.00 0.00 H new ATOM 0 HE1 PHE A 13 0.883 3.655 6.358 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -0.086 -0.454 6.981 1.00 0.00 H new ATOM 0 HZ PHE A 13 -0.599 1.935 7.317 1.00 0.00 H new ATOM 216 N TYR A 14 4.934 2.769 2.915 1.00 0.00 N ATOM 217 CA TYR A 14 5.229 4.177 2.683 1.00 0.00 C ATOM 218 C TYR A 14 4.896 4.539 1.243 1.00 0.00 C ATOM 219 O TYR A 14 4.336 5.602 0.973 1.00 0.00 O ATOM 220 CB TYR A 14 6.699 4.478 2.978 1.00 0.00 C ATOM 221 CG TYR A 14 6.971 4.795 4.431 1.00 0.00 C ATOM 222 CD1 TYR A 14 6.491 5.963 5.009 1.00 0.00 C ATOM 223 CD2 TYR A 14 7.707 3.925 5.224 1.00 0.00 C ATOM 224 CE1 TYR A 14 6.738 6.256 6.337 1.00 0.00 C ATOM 225 CE2 TYR A 14 7.957 4.209 6.553 1.00 0.00 C ATOM 226 CZ TYR A 14 7.471 5.375 7.105 1.00 0.00 C ATOM 227 OH TYR A 14 7.718 5.663 8.427 1.00 0.00 O ATOM 0 H TYR A 14 5.742 2.204 3.177 1.00 0.00 H new ATOM 0 HA TYR A 14 4.618 4.779 3.356 1.00 0.00 H new ATOM 0 HB2 TYR A 14 7.303 3.620 2.682 1.00 0.00 H new ATOM 0 HB3 TYR A 14 7.019 5.320 2.365 1.00 0.00 H new ATOM 0 HD1 TYR A 14 5.915 6.654 4.411 1.00 0.00 H new ATOM 0 HD2 TYR A 14 8.091 3.011 4.795 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.359 7.170 6.771 1.00 0.00 H new ATOM 0 HE2 TYR A 14 8.530 3.521 7.156 1.00 0.00 H new ATOM 0 HH TYR A 14 8.246 4.941 8.826 1.00 0.00 H new ATOM 237 N GLU A 15 5.222 3.635 0.321 1.00 0.00 N ATOM 238 CA GLU A 15 4.929 3.855 -1.089 1.00 0.00 C ATOM 239 C GLU A 15 3.438 4.119 -1.268 1.00 0.00 C ATOM 240 O GLU A 15 3.029 4.983 -2.044 1.00 0.00 O ATOM 241 CB GLU A 15 5.359 2.644 -1.921 1.00 0.00 C ATOM 242 CG GLU A 15 6.484 2.945 -2.898 1.00 0.00 C ATOM 243 CD GLU A 15 5.995 3.081 -4.326 1.00 0.00 C ATOM 244 OE1 GLU A 15 5.898 2.048 -5.021 1.00 0.00 O ATOM 245 OE2 GLU A 15 5.708 4.220 -4.750 1.00 0.00 O ATOM 0 H GLU A 15 5.686 2.750 0.525 1.00 0.00 H new ATOM 0 HA GLU A 15 5.489 4.723 -1.436 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.676 1.846 -1.249 1.00 0.00 H new ATOM 0 HB3 GLU A 15 4.498 2.270 -2.475 1.00 0.00 H new ATOM 0 HG2 GLU A 15 6.983 3.867 -2.599 1.00 0.00 H new ATOM 0 HG3 GLU A 15 7.227 2.150 -2.847 1.00 0.00 H new ATOM 252 N ILE A 16 2.636 3.364 -0.521 1.00 0.00 N ATOM 253 CA ILE A 16 1.193 3.490 -0.553 1.00 0.00 C ATOM 254 C ILE A 16 0.758 4.765 0.164 1.00 0.00 C ATOM 255 O ILE A 16 -0.154 5.465 -0.272 1.00 0.00 O ATOM 256 CB ILE A 16 0.550 2.257 0.117 1.00 0.00 C ATOM 257 CG1 ILE A 16 0.267 1.174 -0.926 1.00 0.00 C ATOM 258 CG2 ILE A 16 -0.728 2.621 0.869 1.00 0.00 C ATOM 259 CD1 ILE A 16 0.454 -0.233 -0.401 1.00 0.00 C ATOM 0 H ILE A 16 2.975 2.649 0.122 1.00 0.00 H new ATOM 0 HA ILE A 16 0.863 3.546 -1.590 1.00 0.00 H new ATOM 0 HB ILE A 16 1.260 1.871 0.848 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.756 1.286 -1.286 1.00 0.00 H new ATOM 0 HG13 ILE A 16 0.925 1.324 -1.782 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.149 1.725 1.326 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -0.498 3.351 1.645 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.451 3.047 0.173 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.236 -0.949 -1.194 1.00 0.00 H new ATOM 0 HD12 ILE A 16 1.483 -0.363 -0.067 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -0.223 -0.402 0.436 1.00 0.00 H new ATOM 271 N LEU A 17 1.425 5.059 1.269 1.00 0.00 N ATOM 272 CA LEU A 17 1.118 6.250 2.045 1.00 0.00 C ATOM 273 C LEU A 17 1.417 7.516 1.242 1.00 0.00 C ATOM 274 O LEU A 17 0.993 8.609 1.615 1.00 0.00 O ATOM 275 CB LEU A 17 1.924 6.257 3.347 1.00 0.00 C ATOM 276 CG LEU A 17 1.207 5.652 4.555 1.00 0.00 C ATOM 277 CD1 LEU A 17 2.071 5.768 5.801 1.00 0.00 C ATOM 278 CD2 LEU A 17 -0.138 6.331 4.770 1.00 0.00 C ATOM 0 H LEU A 17 2.182 4.490 1.648 1.00 0.00 H new ATOM 0 HA LEU A 17 0.054 6.234 2.283 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.853 5.711 3.184 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.196 7.286 3.583 1.00 0.00 H new ATOM 0 HG LEU A 17 1.031 4.595 4.358 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.545 5.332 6.650 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.009 5.236 5.644 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.279 6.819 6.003 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.635 5.889 5.633 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.016 7.396 4.946 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.760 6.196 3.885 1.00 0.00 H new ATOM 290 N HIS A 18 2.180 7.368 0.159 1.00 0.00 N ATOM 291 CA HIS A 18 2.566 8.511 -0.664 1.00 0.00 C ATOM 292 C HIS A 18 1.740 8.650 -1.947 1.00 0.00 C ATOM 293 O HIS A 18 2.038 9.510 -2.775 1.00 0.00 O ATOM 294 CB HIS A 18 4.047 8.406 -1.024 1.00 0.00 C ATOM 295 CG HIS A 18 4.623 9.679 -1.561 1.00 0.00 C ATOM 296 ND1 HIS A 18 4.675 10.848 -0.832 1.00 0.00 N ATOM 297 CD2 HIS A 18 5.175 9.964 -2.765 1.00 0.00 C ATOM 298 CE1 HIS A 18 5.233 11.797 -1.564 1.00 0.00 C ATOM 299 NE2 HIS A 18 5.545 11.286 -2.740 1.00 0.00 N ATOM 0 H HIS A 18 2.541 6.471 -0.167 1.00 0.00 H new ATOM 0 HA HIS A 18 2.372 9.402 -0.067 1.00 0.00 H new ATOM 0 HB2 HIS A 18 4.608 8.108 -0.138 1.00 0.00 H new ATOM 0 HB3 HIS A 18 4.178 7.617 -1.764 1.00 0.00 H new ATOM 0 HD2 HIS A 18 5.301 9.279 -3.591 1.00 0.00 H new ATOM 0 HE1 HIS A 18 5.404 12.817 -1.253 1.00 0.00 H new ATOM 0 HE2 HIS A 18 5.989 11.791 -3.507 1.00 0.00 H new ATOM 308 N LEU A 19 0.705 7.830 -2.124 1.00 0.00 N ATOM 309 CA LEU A 19 -0.119 7.934 -3.327 1.00 0.00 C ATOM 310 C LEU A 19 -1.030 9.165 -3.225 1.00 0.00 C ATOM 311 O LEU A 19 -1.874 9.247 -2.332 1.00 0.00 O ATOM 312 CB LEU A 19 -0.953 6.664 -3.569 1.00 0.00 C ATOM 313 CG LEU A 19 -0.350 5.353 -3.068 1.00 0.00 C ATOM 314 CD1 LEU A 19 -1.424 4.483 -2.428 1.00 0.00 C ATOM 315 CD2 LEU A 19 0.324 4.608 -4.211 1.00 0.00 C ATOM 0 H LEU A 19 0.422 7.103 -1.467 1.00 0.00 H new ATOM 0 HA LEU A 19 0.549 8.044 -4.182 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.925 6.797 -3.094 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.132 6.571 -4.640 1.00 0.00 H new ATOM 0 HG LEU A 19 0.402 5.585 -2.314 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.977 3.553 -2.077 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.868 5.013 -1.585 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.197 4.259 -3.163 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.749 3.676 -3.838 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.411 4.387 -4.985 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.118 5.226 -4.630 1.00 0.00 H new ATOM 327 N PRO A 20 -0.842 10.162 -4.116 1.00 0.00 N ATOM 328 CA PRO A 20 -1.617 11.413 -4.095 1.00 0.00 C ATOM 329 C PRO A 20 -2.991 11.337 -4.767 1.00 0.00 C ATOM 330 O PRO A 20 -3.897 12.088 -4.405 1.00 0.00 O ATOM 331 CB PRO A 20 -0.716 12.371 -4.867 1.00 0.00 C ATOM 332 CG PRO A 20 -0.015 11.507 -5.857 1.00 0.00 C ATOM 333 CD PRO A 20 0.176 10.170 -5.187 1.00 0.00 C ATOM 0 HA PRO A 20 -1.852 11.703 -3.071 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -1.296 13.150 -5.361 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -0.009 12.871 -4.205 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -0.602 11.405 -6.769 1.00 0.00 H new ATOM 0 HG3 PRO A 20 0.944 11.940 -6.142 1.00 0.00 H new ATOM 0 HD2 PRO A 20 0.027 9.347 -5.886 1.00 0.00 H new ATOM 0 HD3 PRO A 20 1.183 10.066 -4.782 1.00 0.00 H new ATOM 341 N ASN A 21 -3.150 10.455 -5.749 1.00 0.00 N ATOM 342 CA ASN A 21 -4.427 10.338 -6.452 1.00 0.00 C ATOM 343 C ASN A 21 -5.188 9.099 -6.015 1.00 0.00 C ATOM 344 O ASN A 21 -5.932 8.502 -6.794 1.00 0.00 O ATOM 345 CB ASN A 21 -4.230 10.336 -7.975 1.00 0.00 C ATOM 346 CG ASN A 21 -2.910 9.760 -8.409 1.00 0.00 C ATOM 347 OD1 ASN A 21 -2.695 8.551 -8.370 1.00 0.00 O ATOM 348 ND2 ASN A 21 -2.021 10.637 -8.840 1.00 0.00 N ATOM 0 H ASN A 21 -2.423 9.818 -6.074 1.00 0.00 H new ATOM 0 HA ASN A 21 -5.021 11.213 -6.187 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.036 9.765 -8.437 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -4.311 11.358 -8.345 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -1.106 10.320 -9.161 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -2.250 11.631 -8.852 1.00 0.00 H new ATOM 355 N LEU A 22 -5.010 8.729 -4.759 1.00 0.00 N ATOM 356 CA LEU A 22 -5.686 7.575 -4.195 1.00 0.00 C ATOM 357 C LEU A 22 -6.865 8.006 -3.327 1.00 0.00 C ATOM 358 O LEU A 22 -6.998 9.180 -2.982 1.00 0.00 O ATOM 359 CB LEU A 22 -4.708 6.741 -3.373 1.00 0.00 C ATOM 360 CG LEU A 22 -4.892 5.237 -3.531 1.00 0.00 C ATOM 361 CD1 LEU A 22 -3.772 4.641 -4.369 1.00 0.00 C ATOM 362 CD2 LEU A 22 -4.971 4.554 -2.174 1.00 0.00 C ATOM 0 H LEU A 22 -4.397 9.216 -4.106 1.00 0.00 H new ATOM 0 HA LEU A 22 -6.068 6.969 -5.016 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.690 7.005 -3.661 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.819 7.002 -2.321 1.00 0.00 H new ATOM 0 HG LEU A 22 -5.834 5.066 -4.051 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.924 3.566 -4.468 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.773 5.101 -5.357 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.815 4.828 -3.883 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.102 3.481 -2.314 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.050 4.738 -1.620 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -5.817 4.953 -1.614 1.00 0.00 H new ATOM 374 N ASN A 23 -7.715 7.047 -2.973 1.00 0.00 N ATOM 375 CA ASN A 23 -8.879 7.326 -2.139 1.00 0.00 C ATOM 376 C ASN A 23 -8.782 6.582 -0.812 1.00 0.00 C ATOM 377 O ASN A 23 -8.037 5.609 -0.686 1.00 0.00 O ATOM 378 CB ASN A 23 -10.165 6.933 -2.868 1.00 0.00 C ATOM 379 CG ASN A 23 -11.351 7.768 -2.439 1.00 0.00 C ATOM 380 OD1 ASN A 23 -11.318 8.433 -1.404 1.00 0.00 O ATOM 381 ND2 ASN A 23 -12.409 7.734 -3.237 1.00 0.00 N ATOM 0 H ASN A 23 -7.620 6.070 -3.251 1.00 0.00 H new ATOM 0 HA ASN A 23 -8.903 8.397 -1.936 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -10.018 7.042 -3.943 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -10.378 5.881 -2.680 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -13.242 8.274 -3.003 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -12.390 7.168 -4.085 1.00 0.00 H new ATOM 388 N GLU A 24 -9.532 7.053 0.180 1.00 0.00 N ATOM 389 CA GLU A 24 -9.528 6.447 1.504 1.00 0.00 C ATOM 390 C GLU A 24 -9.879 4.965 1.444 1.00 0.00 C ATOM 391 O GLU A 24 -9.184 4.130 2.019 1.00 0.00 O ATOM 392 CB GLU A 24 -10.512 7.176 2.421 1.00 0.00 C ATOM 393 CG GLU A 24 -10.050 7.255 3.867 1.00 0.00 C ATOM 394 CD GLU A 24 -11.069 7.924 4.769 1.00 0.00 C ATOM 395 OE1 GLU A 24 -12.281 7.702 4.563 1.00 0.00 O ATOM 396 OE2 GLU A 24 -10.656 8.669 5.682 1.00 0.00 O ATOM 0 H GLU A 24 -10.153 7.857 0.089 1.00 0.00 H new ATOM 0 HA GLU A 24 -8.519 6.539 1.906 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -10.669 8.186 2.042 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -11.476 6.668 2.383 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -9.849 6.249 4.236 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -9.111 7.806 3.915 1.00 0.00 H new ATOM 403 N GLU A 25 -10.964 4.648 0.751 1.00 0.00 N ATOM 404 CA GLU A 25 -11.416 3.266 0.621 1.00 0.00 C ATOM 405 C GLU A 25 -10.314 2.374 0.057 1.00 0.00 C ATOM 406 O GLU A 25 -10.081 1.270 0.551 1.00 0.00 O ATOM 407 CB GLU A 25 -12.652 3.195 -0.277 1.00 0.00 C ATOM 408 CG GLU A 25 -13.227 1.794 -0.410 1.00 0.00 C ATOM 409 CD GLU A 25 -14.192 1.452 0.709 1.00 0.00 C ATOM 410 OE1 GLU A 25 -15.183 2.191 0.884 1.00 0.00 O ATOM 411 OE2 GLU A 25 -13.957 0.444 1.408 1.00 0.00 O ATOM 0 H GLU A 25 -11.550 5.329 0.269 1.00 0.00 H new ATOM 0 HA GLU A 25 -11.673 2.904 1.617 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -13.420 3.858 0.123 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -12.393 3.568 -1.268 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -13.740 1.705 -1.367 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -12.412 1.070 -0.417 1.00 0.00 H new ATOM 418 N GLN A 26 -9.640 2.859 -0.978 1.00 0.00 N ATOM 419 CA GLN A 26 -8.565 2.105 -1.608 1.00 0.00 C ATOM 420 C GLN A 26 -7.336 2.056 -0.709 1.00 0.00 C ATOM 421 O GLN A 26 -6.790 0.985 -0.447 1.00 0.00 O ATOM 422 CB GLN A 26 -8.201 2.721 -2.960 1.00 0.00 C ATOM 423 CG GLN A 26 -9.302 2.600 -4.001 1.00 0.00 C ATOM 424 CD GLN A 26 -9.574 3.908 -4.719 1.00 0.00 C ATOM 425 OE1 GLN A 26 -8.511 4.632 -5.051 1.00 0.00 O flip ATOM 426 NE2 GLN A 26 -10.725 4.263 -4.972 1.00 0.00 N flip ATOM 0 H GLN A 26 -9.819 3.771 -1.399 1.00 0.00 H new ATOM 0 HA GLN A 26 -8.917 1.086 -1.767 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -7.962 3.775 -2.817 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -7.300 2.238 -3.339 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -9.024 1.840 -4.731 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -10.217 2.258 -3.518 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -11.512 3.675 -4.698 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -10.892 5.145 -5.456 1.00 0.00 H new ATOM 435 N ARG A 27 -6.907 3.221 -0.237 1.00 0.00 N ATOM 436 CA ARG A 27 -5.743 3.304 0.636 1.00 0.00 C ATOM 437 C ARG A 27 -5.954 2.468 1.893 1.00 0.00 C ATOM 438 O ARG A 27 -5.000 1.945 2.470 1.00 0.00 O ATOM 439 CB ARG A 27 -5.464 4.760 1.017 1.00 0.00 C ATOM 440 CG ARG A 27 -4.206 4.941 1.850 1.00 0.00 C ATOM 441 CD ARG A 27 -3.650 6.350 1.720 1.00 0.00 C ATOM 442 NE ARG A 27 -4.465 7.328 2.437 1.00 0.00 N ATOM 443 CZ ARG A 27 -4.033 8.536 2.791 1.00 0.00 C ATOM 444 NH1 ARG A 27 -2.797 8.920 2.496 1.00 0.00 N ATOM 445 NH2 ARG A 27 -4.840 9.364 3.441 1.00 0.00 N ATOM 0 H ARG A 27 -7.346 4.118 -0.444 1.00 0.00 H new ATOM 0 HA ARG A 27 -4.883 2.910 0.095 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -5.376 5.354 0.107 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -6.317 5.151 1.572 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -4.428 4.731 2.896 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -3.452 4.220 1.533 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -2.631 6.375 2.106 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -3.599 6.624 0.666 1.00 0.00 H new ATOM 0 HE ARG A 27 -5.421 7.070 2.681 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -2.172 8.288 1.995 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -2.472 9.847 2.770 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -5.791 9.075 3.669 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -4.509 10.290 3.713 1.00 0.00 H new ATOM 459 N ASN A 28 -7.209 2.341 2.312 1.00 0.00 N ATOM 460 CA ASN A 28 -7.540 1.564 3.499 1.00 0.00 C ATOM 461 C ASN A 28 -7.480 0.071 3.198 1.00 0.00 C ATOM 462 O ASN A 28 -6.850 -0.694 3.927 1.00 0.00 O ATOM 463 CB ASN A 28 -8.929 1.938 4.018 1.00 0.00 C ATOM 464 CG ASN A 28 -8.878 3.017 5.081 1.00 0.00 C ATOM 465 OD1 ASN A 28 -9.717 4.035 4.933 1.00 0.00 O flip ATOM 466 ND2 ASN A 28 -8.092 2.937 6.026 1.00 0.00 N flip ATOM 0 H ASN A 28 -8.012 2.766 1.847 1.00 0.00 H new ATOM 0 HA ASN A 28 -6.805 1.795 4.270 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -9.545 2.280 3.186 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -9.412 1.051 4.428 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -7.464 2.137 6.101 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -8.069 3.671 6.734 1.00 0.00 H new ATOM 473 N ALA A 29 -8.138 -0.338 2.114 1.00 0.00 N ATOM 474 CA ALA A 29 -8.151 -1.741 1.720 1.00 0.00 C ATOM 475 C ALA A 29 -6.732 -2.249 1.492 1.00 0.00 C ATOM 476 O ALA A 29 -6.409 -3.395 1.799 1.00 0.00 O ATOM 477 CB ALA A 29 -8.996 -1.935 0.470 1.00 0.00 C ATOM 0 H ALA A 29 -8.665 0.280 1.498 1.00 0.00 H new ATOM 0 HA ALA A 29 -8.595 -2.321 2.529 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -8.995 -2.988 0.190 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -10.018 -1.614 0.668 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -8.581 -1.342 -0.345 1.00 0.00 H new ATOM 483 N PHE A 30 -5.890 -1.369 0.961 1.00 0.00 N ATOM 484 CA PHE A 30 -4.496 -1.688 0.693 1.00 0.00 C ATOM 485 C PHE A 30 -3.686 -1.768 1.976 1.00 0.00 C ATOM 486 O PHE A 30 -3.062 -2.788 2.265 1.00 0.00 O ATOM 487 CB PHE A 30 -3.891 -0.642 -0.235 1.00 0.00 C ATOM 488 CG PHE A 30 -4.156 -0.913 -1.688 1.00 0.00 C ATOM 489 CD1 PHE A 30 -3.769 -2.115 -2.257 1.00 0.00 C ATOM 490 CD2 PHE A 30 -4.794 0.026 -2.481 1.00 0.00 C ATOM 491 CE1 PHE A 30 -4.013 -2.377 -3.591 1.00 0.00 C ATOM 492 CE2 PHE A 30 -5.041 -0.230 -3.817 1.00 0.00 C ATOM 493 CZ PHE A 30 -4.649 -1.434 -4.372 1.00 0.00 C ATOM 0 H PHE A 30 -6.155 -0.418 0.706 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.464 -2.666 0.212 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -4.291 0.338 0.024 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -2.814 -0.600 -0.071 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.270 -2.856 -1.650 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -5.102 0.968 -2.051 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -3.706 -3.319 -4.022 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -5.539 0.509 -4.426 1.00 0.00 H new ATOM 0 HZ PHE A 30 -4.840 -1.636 -5.416 1.00 0.00 H new ATOM 503 N ILE A 31 -3.718 -0.697 2.757 1.00 0.00 N ATOM 504 CA ILE A 31 -3.002 -0.664 4.027 1.00 0.00 C ATOM 505 C ILE A 31 -3.419 -1.855 4.885 1.00 0.00 C ATOM 506 O ILE A 31 -2.575 -2.555 5.447 1.00 0.00 O ATOM 507 CB ILE A 31 -3.275 0.648 4.793 1.00 0.00 C ATOM 508 CG1 ILE A 31 -2.690 1.837 4.030 1.00 0.00 C ATOM 509 CG2 ILE A 31 -2.698 0.586 6.201 1.00 0.00 C ATOM 510 CD1 ILE A 31 -3.298 3.166 4.422 1.00 0.00 C ATOM 0 H ILE A 31 -4.229 0.157 2.536 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.934 -0.717 3.814 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.354 0.778 4.874 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.614 1.874 4.201 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.837 1.680 2.961 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -2.904 1.522 6.720 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.156 -0.239 6.746 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.621 0.431 6.146 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.835 3.963 3.841 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -4.370 3.148 4.225 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.128 3.345 5.484 1.00 0.00 H new ATOM 522 N GLN A 32 -4.725 -2.090 4.967 1.00 0.00 N ATOM 523 CA GLN A 32 -5.244 -3.209 5.740 1.00 0.00 C ATOM 524 C GLN A 32 -4.708 -4.519 5.177 1.00 0.00 C ATOM 525 O GLN A 32 -4.182 -5.355 5.912 1.00 0.00 O ATOM 526 CB GLN A 32 -6.774 -3.212 5.720 1.00 0.00 C ATOM 527 CG GLN A 32 -7.395 -4.082 6.801 1.00 0.00 C ATOM 528 CD GLN A 32 -7.334 -3.439 8.171 1.00 0.00 C ATOM 529 OE1 GLN A 32 -7.227 -2.219 8.294 1.00 0.00 O ATOM 530 NE2 GLN A 32 -7.403 -4.261 9.212 1.00 0.00 N ATOM 0 H GLN A 32 -5.439 -1.523 4.510 1.00 0.00 H new ATOM 0 HA GLN A 32 -4.914 -3.104 6.774 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -7.133 -2.189 5.838 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -7.116 -3.559 4.745 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -8.435 -4.286 6.545 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -6.879 -5.042 6.831 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -7.491 -5.266 9.063 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -7.368 -3.887 10.160 1.00 0.00 H new ATOM 539 N SER A 33 -4.837 -4.686 3.862 1.00 0.00 N ATOM 540 CA SER A 33 -4.355 -5.890 3.196 1.00 0.00 C ATOM 541 C SER A 33 -2.890 -6.133 3.532 1.00 0.00 C ATOM 542 O SER A 33 -2.464 -7.265 3.760 1.00 0.00 O ATOM 543 CB SER A 33 -4.537 -5.778 1.682 1.00 0.00 C ATOM 544 OG SER A 33 -4.424 -7.046 1.059 1.00 0.00 O ATOM 0 H SER A 33 -5.270 -4.004 3.240 1.00 0.00 H new ATOM 0 HA SER A 33 -4.942 -6.736 3.554 1.00 0.00 H new ATOM 0 HB2 SER A 33 -5.513 -5.347 1.461 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.789 -5.100 1.272 1.00 0.00 H new ATOM 0 HG SER A 33 -4.546 -6.947 0.092 1.00 0.00 H new ATOM 550 N LEU A 34 -2.132 -5.040 3.568 1.00 0.00 N ATOM 551 CA LEU A 34 -0.713 -5.088 3.885 1.00 0.00 C ATOM 552 C LEU A 34 -0.511 -5.527 5.327 1.00 0.00 C ATOM 553 O LEU A 34 0.414 -6.277 5.640 1.00 0.00 O ATOM 554 CB LEU A 34 -0.082 -3.711 3.667 1.00 0.00 C ATOM 555 CG LEU A 34 1.300 -3.727 3.017 1.00 0.00 C ATOM 556 CD1 LEU A 34 1.189 -4.080 1.544 1.00 0.00 C ATOM 557 CD2 LEU A 34 1.987 -2.381 3.197 1.00 0.00 C ATOM 0 H LEU A 34 -2.485 -4.102 3.379 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.231 -5.810 3.226 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.752 -3.116 3.046 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.008 -3.206 4.630 1.00 0.00 H new ATOM 0 HG LEU A 34 1.906 -4.489 3.507 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.183 -4.087 1.096 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.737 -5.066 1.439 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.568 -3.340 1.038 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.971 -2.409 2.728 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.385 -1.600 2.732 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.098 -2.168 4.260 1.00 0.00 H new ATOM 569 N LYS A 35 -1.392 -5.055 6.201 1.00 0.00 N ATOM 570 CA LYS A 35 -1.331 -5.393 7.612 1.00 0.00 C ATOM 571 C LYS A 35 -1.772 -6.835 7.850 1.00 0.00 C ATOM 572 O LYS A 35 -1.395 -7.453 8.846 1.00 0.00 O ATOM 573 CB LYS A 35 -2.206 -4.438 8.425 1.00 0.00 C ATOM 574 CG LYS A 35 -1.614 -4.067 9.776 1.00 0.00 C ATOM 575 CD LYS A 35 -1.514 -2.559 9.949 1.00 0.00 C ATOM 576 CE LYS A 35 -0.965 -2.188 11.318 1.00 0.00 C ATOM 577 NZ LYS A 35 0.438 -1.696 11.240 1.00 0.00 N ATOM 0 H LYS A 35 -2.161 -4.433 5.952 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.296 -5.293 7.938 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.369 -3.528 7.847 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -3.183 -4.897 8.580 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.231 -4.485 10.571 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.624 -4.511 9.874 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.870 -2.145 9.173 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.499 -2.111 9.818 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -1.595 -1.419 11.765 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -1.009 -3.057 11.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 0.775 -1.454 12.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 1.044 -2.439 10.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 0.476 -0.851 10.635 1.00 0.00 H new ATOM 591 N ASP A 36 -2.576 -7.365 6.929 1.00 0.00 N ATOM 592 CA ASP A 36 -3.071 -8.733 7.043 1.00 0.00 C ATOM 593 C ASP A 36 -2.031 -9.738 6.555 1.00 0.00 C ATOM 594 O ASP A 36 -1.599 -10.613 7.305 1.00 0.00 O ATOM 595 CB ASP A 36 -4.365 -8.895 6.244 1.00 0.00 C ATOM 596 CG ASP A 36 -5.593 -8.525 7.053 1.00 0.00 C ATOM 597 OD1 ASP A 36 -5.674 -8.933 8.230 1.00 0.00 O ATOM 598 OD2 ASP A 36 -6.474 -7.827 6.508 1.00 0.00 O ATOM 0 H ASP A 36 -2.897 -6.868 6.098 1.00 0.00 H new ATOM 0 HA ASP A 36 -3.271 -8.931 8.096 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -4.319 -8.270 5.352 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -4.453 -9.927 5.906 1.00 0.00 H new ATOM 603 N ASP A 37 -1.636 -9.605 5.291 1.00 0.00 N ATOM 604 CA ASP A 37 -0.648 -10.500 4.697 1.00 0.00 C ATOM 605 C ASP A 37 0.542 -9.713 4.151 1.00 0.00 C ATOM 606 O ASP A 37 0.587 -9.379 2.967 1.00 0.00 O ATOM 607 CB ASP A 37 -1.286 -11.323 3.578 1.00 0.00 C ATOM 608 CG ASP A 37 -0.463 -12.543 3.214 1.00 0.00 C ATOM 609 OD1 ASP A 37 -0.271 -13.412 4.090 1.00 0.00 O ATOM 610 OD2 ASP A 37 -0.010 -12.629 2.053 1.00 0.00 O ATOM 0 H ASP A 37 -1.986 -8.885 4.659 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.288 -11.173 5.475 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -2.282 -11.640 3.887 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -1.410 -10.696 2.695 1.00 0.00 H new ATOM 615 N PRO A 38 1.525 -9.405 5.014 1.00 0.00 N ATOM 616 CA PRO A 38 2.722 -8.649 4.620 1.00 0.00 C ATOM 617 C PRO A 38 3.512 -9.334 3.508 1.00 0.00 C ATOM 618 O PRO A 38 4.251 -8.684 2.769 1.00 0.00 O ATOM 619 CB PRO A 38 3.557 -8.602 5.906 1.00 0.00 C ATOM 620 CG PRO A 38 2.584 -8.837 7.007 1.00 0.00 C ATOM 621 CD PRO A 38 1.545 -9.762 6.443 1.00 0.00 C ATOM 0 HA PRO A 38 2.462 -7.668 4.222 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.336 -9.364 5.899 1.00 0.00 H new ATOM 0 HB3 PRO A 38 4.055 -7.639 6.018 1.00 0.00 H new ATOM 0 HG2 PRO A 38 3.074 -9.281 7.874 1.00 0.00 H new ATOM 0 HG3 PRO A 38 2.135 -7.901 7.339 1.00 0.00 H new ATOM 0 HD2 PRO A 38 1.811 -10.808 6.594 1.00 0.00 H new ATOM 0 HD3 PRO A 38 0.572 -9.610 6.911 1.00 0.00 H new ATOM 629 N SER A 39 3.360 -10.649 3.404 1.00 0.00 N ATOM 630 CA SER A 39 4.069 -11.426 2.392 1.00 0.00 C ATOM 631 C SER A 39 3.710 -10.973 0.978 1.00 0.00 C ATOM 632 O SER A 39 4.574 -10.900 0.104 1.00 0.00 O ATOM 633 CB SER A 39 3.757 -12.914 2.555 1.00 0.00 C ATOM 634 OG SER A 39 2.512 -13.243 1.964 1.00 0.00 O ATOM 0 H SER A 39 2.751 -11.201 4.009 1.00 0.00 H new ATOM 0 HA SER A 39 5.136 -11.259 2.537 1.00 0.00 H new ATOM 0 HB2 SER A 39 4.548 -13.507 2.096 1.00 0.00 H new ATOM 0 HB3 SER A 39 3.739 -13.171 3.614 1.00 0.00 H new ATOM 0 HG SER A 39 1.838 -12.585 2.233 1.00 0.00 H new ATOM 640 N GLN A 40 2.431 -10.689 0.752 1.00 0.00 N ATOM 641 CA GLN A 40 1.966 -10.266 -0.565 1.00 0.00 C ATOM 642 C GLN A 40 1.893 -8.746 -0.681 1.00 0.00 C ATOM 643 O GLN A 40 1.056 -8.215 -1.410 1.00 0.00 O ATOM 644 CB GLN A 40 0.593 -10.874 -0.858 1.00 0.00 C ATOM 645 CG GLN A 40 0.616 -12.386 -1.007 1.00 0.00 C ATOM 646 CD GLN A 40 1.033 -12.827 -2.397 1.00 0.00 C ATOM 647 OE1 GLN A 40 0.497 -12.353 -3.398 1.00 0.00 O ATOM 648 NE2 GLN A 40 1.995 -13.740 -2.464 1.00 0.00 N ATOM 0 H GLN A 40 1.700 -10.744 1.461 1.00 0.00 H new ATOM 0 HA GLN A 40 2.690 -10.622 -1.298 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -0.092 -10.607 -0.054 1.00 0.00 H new ATOM 0 HB3 GLN A 40 0.198 -10.433 -1.773 1.00 0.00 H new ATOM 0 HG2 GLN A 40 1.302 -12.810 -0.274 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -0.374 -12.785 -0.785 1.00 0.00 H new ATOM 0 HE21 GLN A 40 2.412 -14.106 -1.608 1.00 0.00 H new ATOM 0 HE22 GLN A 40 2.317 -14.076 -3.372 1.00 0.00 H new ATOM 657 N SER A 41 2.774 -8.049 0.031 1.00 0.00 N ATOM 658 CA SER A 41 2.798 -6.590 -0.010 1.00 0.00 C ATOM 659 C SER A 41 3.120 -6.094 -1.418 1.00 0.00 C ATOM 660 O SER A 41 2.364 -5.308 -1.994 1.00 0.00 O ATOM 661 CB SER A 41 3.827 -6.046 0.983 1.00 0.00 C ATOM 662 OG SER A 41 3.455 -6.344 2.318 1.00 0.00 O ATOM 0 H SER A 41 3.477 -8.468 0.640 1.00 0.00 H new ATOM 0 HA SER A 41 1.809 -6.226 0.269 1.00 0.00 H new ATOM 0 HB2 SER A 41 4.805 -6.477 0.770 1.00 0.00 H new ATOM 0 HB3 SER A 41 3.920 -4.967 0.860 1.00 0.00 H new ATOM 0 HG SER A 41 4.019 -7.068 2.661 1.00 0.00 H new ATOM 668 N ALA A 42 4.239 -6.552 -1.973 1.00 0.00 N ATOM 669 CA ALA A 42 4.646 -6.147 -3.317 1.00 0.00 C ATOM 670 C ALA A 42 3.476 -6.210 -4.296 1.00 0.00 C ATOM 671 O ALA A 42 3.409 -5.434 -5.252 1.00 0.00 O ATOM 672 CB ALA A 42 5.800 -7.009 -3.806 1.00 0.00 C ATOM 0 H ALA A 42 4.879 -7.202 -1.515 1.00 0.00 H new ATOM 0 HA ALA A 42 4.981 -5.111 -3.267 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.090 -6.694 -4.808 1.00 0.00 H new ATOM 0 HB2 ALA A 42 6.648 -6.898 -3.131 1.00 0.00 H new ATOM 0 HB3 ALA A 42 5.489 -8.053 -3.830 1.00 0.00 H new ATOM 678 N ASN A 43 2.548 -7.127 -4.042 1.00 0.00 N ATOM 679 CA ASN A 43 1.372 -7.278 -4.890 1.00 0.00 C ATOM 680 C ASN A 43 0.398 -6.128 -4.654 1.00 0.00 C ATOM 681 O ASN A 43 -0.160 -5.563 -5.598 1.00 0.00 O ATOM 682 CB ASN A 43 0.683 -8.614 -4.610 1.00 0.00 C ATOM 683 CG ASN A 43 -0.341 -8.971 -5.670 1.00 0.00 C ATOM 684 OD1 ASN A 43 0.010 -9.396 -6.770 1.00 0.00 O ATOM 685 ND2 ASN A 43 -1.616 -8.798 -5.343 1.00 0.00 N ATOM 0 H ASN A 43 2.588 -7.776 -3.256 1.00 0.00 H new ATOM 0 HA ASN A 43 1.692 -7.260 -5.932 1.00 0.00 H new ATOM 0 HB2 ASN A 43 1.434 -9.402 -4.554 1.00 0.00 H new ATOM 0 HB3 ASN A 43 0.194 -8.570 -3.637 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -2.350 -9.020 -6.016 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -1.862 -8.443 -4.419 1.00 0.00 H new ATOM 692 N LEU A 44 0.222 -5.768 -3.384 1.00 0.00 N ATOM 693 CA LEU A 44 -0.662 -4.670 -3.017 1.00 0.00 C ATOM 694 C LEU A 44 -0.044 -3.332 -3.409 1.00 0.00 C ATOM 695 O LEU A 44 -0.733 -2.316 -3.500 1.00 0.00 O ATOM 696 CB LEU A 44 -0.975 -4.686 -1.515 1.00 0.00 C ATOM 697 CG LEU A 44 -0.836 -6.045 -0.827 1.00 0.00 C ATOM 698 CD1 LEU A 44 -1.341 -5.973 0.605 1.00 0.00 C ATOM 699 CD2 LEU A 44 -1.587 -7.116 -1.605 1.00 0.00 C ATOM 0 H LEU A 44 0.681 -6.222 -2.594 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.597 -4.801 -3.561 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.314 -3.977 -1.017 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.994 -4.328 -1.370 1.00 0.00 H new ATOM 0 HG LEU A 44 0.220 -6.313 -0.805 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.234 -6.949 1.078 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.760 -5.236 1.159 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.392 -5.682 0.606 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.477 -8.076 -1.101 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.643 -6.853 -1.659 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.179 -7.187 -2.613 1.00 0.00 H new ATOM 711 N LEU A 45 1.265 -3.351 -3.652 1.00 0.00 N ATOM 712 CA LEU A 45 1.992 -2.158 -4.049 1.00 0.00 C ATOM 713 C LEU A 45 1.758 -1.923 -5.511 1.00 0.00 C ATOM 714 O LEU A 45 1.241 -0.890 -5.924 1.00 0.00 O ATOM 715 CB LEU A 45 3.488 -2.344 -3.812 1.00 0.00 C ATOM 716 CG LEU A 45 4.261 -1.065 -3.487 1.00 0.00 C ATOM 717 CD1 LEU A 45 3.591 -0.305 -2.352 1.00 0.00 C ATOM 718 CD2 LEU A 45 5.705 -1.391 -3.137 1.00 0.00 C ATOM 0 H LEU A 45 1.843 -4.188 -3.579 1.00 0.00 H new ATOM 0 HA LEU A 45 1.643 -1.310 -3.460 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.625 -3.050 -2.993 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.926 -2.798 -4.701 1.00 0.00 H new ATOM 0 HG LEU A 45 4.257 -0.427 -4.371 1.00 0.00 H new ATOM 0 HD11 LEU A 45 4.157 0.601 -2.137 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.575 -0.038 -2.643 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.560 -0.933 -1.462 1.00 0.00 H new ATOM 0 HD21 LEU A 45 6.241 -0.470 -2.908 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.729 -2.050 -2.269 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.181 -1.887 -3.983 1.00 0.00 H new ATOM 730 N ALA A 46 2.140 -2.917 -6.288 1.00 0.00 N ATOM 731 CA ALA A 46 1.968 -2.862 -7.727 1.00 0.00 C ATOM 732 C ALA A 46 0.499 -2.657 -8.068 1.00 0.00 C ATOM 733 O ALA A 46 0.159 -2.026 -9.070 1.00 0.00 O ATOM 734 CB ALA A 46 2.503 -4.127 -8.381 1.00 0.00 C ATOM 0 H ALA A 46 2.573 -3.775 -5.946 1.00 0.00 H new ATOM 0 HA ALA A 46 2.537 -2.017 -8.116 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.364 -4.065 -9.460 1.00 0.00 H new ATOM 0 HB2 ALA A 46 3.565 -4.231 -8.157 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.964 -4.992 -7.995 1.00 0.00 H new ATOM 740 N GLU A 47 -0.371 -3.195 -7.211 1.00 0.00 N ATOM 741 CA GLU A 47 -1.811 -3.070 -7.412 1.00 0.00 C ATOM 742 C GLU A 47 -2.287 -1.669 -7.063 1.00 0.00 C ATOM 743 O GLU A 47 -2.996 -1.032 -7.842 1.00 0.00 O ATOM 744 CB GLU A 47 -2.565 -4.101 -6.569 1.00 0.00 C ATOM 745 CG GLU A 47 -2.855 -5.398 -7.305 1.00 0.00 C ATOM 746 CD GLU A 47 -3.581 -5.174 -8.617 1.00 0.00 C ATOM 747 OE1 GLU A 47 -4.801 -4.908 -8.583 1.00 0.00 O ATOM 748 OE2 GLU A 47 -2.930 -5.264 -9.679 1.00 0.00 O ATOM 0 H GLU A 47 -0.103 -3.718 -6.377 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.019 -3.256 -8.466 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.981 -4.323 -5.676 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.506 -3.665 -6.235 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.918 -5.920 -7.497 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -3.456 -6.047 -6.668 1.00 0.00 H new ATOM 755 N ALA A 48 -1.877 -1.186 -5.901 1.00 0.00 N ATOM 756 CA ALA A 48 -2.246 0.150 -5.466 1.00 0.00 C ATOM 757 C ALA A 48 -1.586 1.190 -6.358 1.00 0.00 C ATOM 758 O ALA A 48 -2.067 2.315 -6.482 1.00 0.00 O ATOM 759 CB ALA A 48 -1.860 0.366 -4.011 1.00 0.00 C ATOM 0 H ALA A 48 -1.289 -1.699 -5.244 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.328 0.258 -5.547 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.145 1.373 -3.705 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.375 -0.363 -3.386 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -0.783 0.244 -3.898 1.00 0.00 H new ATOM 765 N LYS A 49 -0.487 0.796 -6.991 1.00 0.00 N ATOM 766 CA LYS A 49 0.237 1.670 -7.886 1.00 0.00 C ATOM 767 C LYS A 49 -0.485 1.761 -9.221 1.00 0.00 C ATOM 768 O LYS A 49 -0.670 2.848 -9.771 1.00 0.00 O ATOM 769 CB LYS A 49 1.656 1.141 -8.093 1.00 0.00 C ATOM 770 CG LYS A 49 2.515 2.028 -8.983 1.00 0.00 C ATOM 771 CD LYS A 49 3.911 2.220 -8.407 1.00 0.00 C ATOM 772 CE LYS A 49 4.210 3.687 -8.143 1.00 0.00 C ATOM 773 NZ LYS A 49 3.703 4.128 -6.814 1.00 0.00 N ATOM 0 H LYS A 49 -0.080 -0.134 -6.895 1.00 0.00 H new ATOM 0 HA LYS A 49 0.290 2.666 -7.445 1.00 0.00 H new ATOM 0 HB2 LYS A 49 2.141 1.037 -7.122 1.00 0.00 H new ATOM 0 HB3 LYS A 49 1.603 0.144 -8.531 1.00 0.00 H new ATOM 0 HG2 LYS A 49 2.589 1.585 -9.976 1.00 0.00 H new ATOM 0 HG3 LYS A 49 2.034 2.999 -9.102 1.00 0.00 H new ATOM 0 HD2 LYS A 49 4.003 1.656 -7.479 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.650 1.816 -9.099 1.00 0.00 H new ATOM 0 HE2 LYS A 49 5.286 3.853 -8.194 1.00 0.00 H new ATOM 0 HE3 LYS A 49 3.756 4.296 -8.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.297 5.082 -6.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 2.970 3.467 -6.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 4.487 4.143 -6.131 1.00 0.00 H new ATOM 787 N LYS A 50 -0.912 0.605 -9.728 1.00 0.00 N ATOM 788 CA LYS A 50 -1.633 0.547 -10.987 1.00 0.00 C ATOM 789 C LYS A 50 -2.986 1.221 -10.837 1.00 0.00 C ATOM 790 O LYS A 50 -3.479 1.869 -11.759 1.00 0.00 O ATOM 791 CB LYS A 50 -1.810 -0.904 -11.437 1.00 0.00 C ATOM 792 CG LYS A 50 -1.399 -1.148 -12.880 1.00 0.00 C ATOM 793 CD LYS A 50 -0.021 -1.786 -12.967 1.00 0.00 C ATOM 794 CE LYS A 50 0.785 -1.215 -14.123 1.00 0.00 C ATOM 795 NZ LYS A 50 2.234 -1.532 -14.000 1.00 0.00 N ATOM 0 H LYS A 50 -0.768 -0.301 -9.282 1.00 0.00 H new ATOM 0 HA LYS A 50 -1.056 1.073 -11.747 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.223 -1.552 -10.786 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -2.855 -1.190 -11.312 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.131 -1.794 -13.364 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.399 -0.203 -13.424 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.516 -1.624 -12.032 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -0.125 -2.864 -13.092 1.00 0.00 H new ATOM 0 HE2 LYS A 50 0.405 -1.615 -15.063 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.652 -0.134 -14.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 2.748 -1.125 -14.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 2.604 -1.129 -13.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 2.364 -2.564 -13.991 1.00 0.00 H new ATOM 809 N LEU A 51 -3.580 1.060 -9.659 1.00 0.00 N ATOM 810 CA LEU A 51 -4.876 1.648 -9.376 1.00 0.00 C ATOM 811 C LEU A 51 -4.767 3.162 -9.243 1.00 0.00 C ATOM 812 O LEU A 51 -5.523 3.905 -9.867 1.00 0.00 O ATOM 813 CB LEU A 51 -5.471 1.049 -8.101 1.00 0.00 C ATOM 814 CG LEU A 51 -5.984 -0.386 -8.238 1.00 0.00 C ATOM 815 CD1 LEU A 51 -6.630 -0.847 -6.941 1.00 0.00 C ATOM 816 CD2 LEU A 51 -6.969 -0.490 -9.393 1.00 0.00 C ATOM 0 H LEU A 51 -3.181 0.526 -8.887 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.538 1.422 -10.212 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.713 1.075 -7.318 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -6.294 1.683 -7.770 1.00 0.00 H new ATOM 0 HG LEU A 51 -5.136 -1.038 -8.449 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -6.989 -1.870 -7.057 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -5.897 -0.809 -6.136 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -7.468 -0.193 -6.700 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.324 -1.517 -9.477 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -7.815 0.173 -9.211 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -6.474 -0.200 -10.320 1.00 0.00 H new ATOM 828 N ASN A 52 -3.810 3.611 -8.432 1.00 0.00 N ATOM 829 CA ASN A 52 -3.593 5.029 -8.217 1.00 0.00 C ATOM 830 C ASN A 52 -3.283 5.748 -9.515 1.00 0.00 C ATOM 831 O ASN A 52 -3.780 6.845 -9.766 1.00 0.00 O ATOM 832 CB ASN A 52 -2.487 5.240 -7.224 1.00 0.00 C ATOM 833 CG ASN A 52 -2.599 6.557 -6.500 1.00 0.00 C ATOM 834 OD1 ASN A 52 -3.632 6.874 -5.911 1.00 0.00 O ATOM 835 ND2 ASN A 52 -1.530 7.335 -6.543 1.00 0.00 N ATOM 0 H ASN A 52 -3.174 3.005 -7.914 1.00 0.00 H new ATOM 0 HA ASN A 52 -4.515 5.451 -7.817 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -2.497 4.428 -6.497 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -1.528 5.194 -7.739 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -1.540 8.241 -6.075 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -0.696 7.029 -7.044 1.00 0.00 H new ATOM 842 N ASP A 53 -2.466 5.120 -10.341 1.00 0.00 N ATOM 843 CA ASP A 53 -2.092 5.694 -11.626 1.00 0.00 C ATOM 844 C ASP A 53 -3.241 5.585 -12.621 1.00 0.00 C ATOM 845 O ASP A 53 -3.460 6.479 -13.438 1.00 0.00 O ATOM 846 CB ASP A 53 -0.858 4.985 -12.183 1.00 0.00 C ATOM 847 CG ASP A 53 0.310 5.010 -11.216 1.00 0.00 C ATOM 848 OD1 ASP A 53 0.485 6.035 -10.523 1.00 0.00 O ATOM 849 OD2 ASP A 53 1.049 4.006 -11.153 1.00 0.00 O ATOM 0 H ASP A 53 -2.047 4.211 -10.147 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.861 6.748 -11.473 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -1.111 3.951 -12.416 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -0.562 5.459 -13.119 1.00 0.00 H new ATOM 854 N ALA A 54 -3.966 4.474 -12.546 1.00 0.00 N ATOM 855 CA ALA A 54 -5.090 4.227 -13.437 1.00 0.00 C ATOM 856 C ALA A 54 -6.300 5.084 -13.074 1.00 0.00 C ATOM 857 O ALA A 54 -7.112 5.420 -13.936 1.00 0.00 O ATOM 858 CB ALA A 54 -5.467 2.753 -13.405 1.00 0.00 C ATOM 0 H ALA A 54 -3.793 3.728 -11.873 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.780 4.502 -14.445 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -6.309 2.578 -14.075 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -4.616 2.153 -13.727 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -5.746 2.471 -12.390 1.00 0.00 H new ATOM 864 N GLN A 55 -6.420 5.431 -11.794 1.00 0.00 N ATOM 865 CA GLN A 55 -7.540 6.242 -11.328 1.00 0.00 C ATOM 866 C GLN A 55 -7.139 7.707 -11.152 1.00 0.00 C ATOM 867 O GLN A 55 -7.858 8.483 -10.523 1.00 0.00 O ATOM 868 CB GLN A 55 -8.099 5.683 -10.013 1.00 0.00 C ATOM 869 CG GLN A 55 -7.195 5.898 -8.807 1.00 0.00 C ATOM 870 CD GLN A 55 -7.086 4.676 -7.932 1.00 0.00 C ATOM 871 OE1 GLN A 55 -7.636 3.618 -8.241 1.00 0.00 O ATOM 872 NE2 GLN A 55 -6.372 4.819 -6.831 1.00 0.00 N ATOM 0 H GLN A 55 -5.758 5.164 -11.065 1.00 0.00 H new ATOM 0 HA GLN A 55 -8.317 6.198 -12.091 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -9.065 6.148 -9.816 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -8.278 4.614 -10.133 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -6.201 6.183 -9.151 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -7.578 6.730 -8.215 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -5.936 5.716 -6.619 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -6.256 4.032 -6.192 1.00 0.00 H new ATOM 881 N ALA A 56 -5.983 8.077 -11.699 1.00 0.00 N ATOM 882 CA ALA A 56 -5.488 9.445 -11.587 1.00 0.00 C ATOM 883 C ALA A 56 -5.975 10.317 -12.742 1.00 0.00 C ATOM 884 O ALA A 56 -6.573 9.823 -13.698 1.00 0.00 O ATOM 885 CB ALA A 56 -3.968 9.450 -11.527 1.00 0.00 C ATOM 0 H ALA A 56 -5.373 7.449 -12.223 1.00 0.00 H new ATOM 0 HA ALA A 56 -5.885 9.867 -10.664 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.611 10.476 -11.444 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.636 8.879 -10.660 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.567 8.999 -12.434 1.00 0.00 H new ATOM 891 N PRO A 57 -5.717 11.635 -12.663 1.00 0.00 N ATOM 892 CA PRO A 57 -6.124 12.590 -13.701 1.00 0.00 C ATOM 893 C PRO A 57 -5.618 12.198 -15.085 1.00 0.00 C ATOM 894 O PRO A 57 -4.581 11.547 -15.216 1.00 0.00 O ATOM 895 CB PRO A 57 -5.474 13.903 -13.254 1.00 0.00 C ATOM 896 CG PRO A 57 -5.286 13.754 -11.785 1.00 0.00 C ATOM 897 CD PRO A 57 -5.006 12.297 -11.553 1.00 0.00 C ATOM 0 HA PRO A 57 -7.208 12.643 -13.797 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -4.522 14.066 -13.760 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -6.109 14.758 -13.487 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -4.460 14.372 -11.432 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -6.176 14.072 -11.243 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -3.937 12.084 -11.576 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -5.377 11.965 -10.583 1.00 0.00 H new ATOM 905 N LYS A 58 -6.356 12.598 -16.114 1.00 0.00 N ATOM 906 CA LYS A 58 -5.980 12.288 -17.489 1.00 0.00 C ATOM 907 C LYS A 58 -4.900 13.244 -17.986 1.00 0.00 C ATOM 908 O LYS A 58 -3.754 13.189 -17.539 1.00 0.00 O ATOM 909 CB LYS A 58 -7.204 12.364 -18.404 1.00 0.00 C ATOM 910 CG LYS A 58 -7.791 13.762 -18.520 1.00 0.00 C ATOM 911 CD LYS A 58 -7.234 14.503 -19.727 1.00 0.00 C ATOM 912 CE LYS A 58 -6.240 15.579 -19.315 1.00 0.00 C ATOM 913 NZ LYS A 58 -4.974 15.497 -20.095 1.00 0.00 N ATOM 0 H LYS A 58 -7.217 13.137 -16.023 1.00 0.00 H new ATOM 0 HA LYS A 58 -5.581 11.274 -17.510 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -6.927 12.012 -19.398 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -7.971 11.687 -18.028 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -8.876 13.696 -18.601 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -7.573 14.326 -17.613 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -6.747 13.794 -20.397 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -8.053 14.958 -20.285 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -6.690 16.562 -19.457 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -6.018 15.480 -18.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -4.187 15.857 -19.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -4.789 14.507 -20.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -5.061 16.070 -20.959 1.00 0.00 H new TER 927 LYS A 58