USER MOD reduce.3.24.130724 H: found=0, std=0, add=521, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 522 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 34 THR OG1 : rot 180:sc= -0.827 USER MOD Set 1.2: A 35 ASN : amide:sc= -0.881 K(o=-1.7,f=-2.5) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -0.0049 X(o=-0.0049,f=0) USER MOD Single : A 15 SER OG : rot 160:sc= -0.946 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 144:sc= -1.46 (180deg=-2.18) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 30:sc= 0 USER MOD Single : A 38 ASN :FLIP amide:sc= 0.0412 F(o=-0.99,f=0.041) USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 142:sc= 0.104 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.464 USER MOD Single : A 52 GLN : amide:sc= -1.57 X(o=-1.6,f=-1.4) USER MOD Single : A 53 SER OG : rot 140:sc= -0.0871 USER MOD Single : A 55 THR OG1 : rot 96:sc= 0.257 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN :FLIP amide:sc= -3.82! C(o=-4.8!,f=-3.8!) USER MOD Single : A 61 GLN : amide:sc= -3.51! C(o=-3.5!,f=-12!) USER MOD Single : A 67 SER OG : rot 180:sc= -0.0149 USER MOD ----------------------------------------------------------------- ATOM 19 N ALA A 3 -0.844 -12.744 1.224 1.00 0.00 N ATOM 20 CA ALA A 3 -1.300 -13.177 -0.086 1.00 0.00 C ATOM 21 C ALA A 3 -0.316 -12.689 -1.151 1.00 0.00 C ATOM 22 O ALA A 3 -0.726 -12.211 -2.207 1.00 0.00 O ATOM 23 CB ALA A 3 -2.720 -12.664 -0.327 1.00 0.00 C ATOM 0 HA ALA A 3 -1.332 -14.265 -0.141 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -3.062 -12.989 -1.310 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -3.386 -13.062 0.439 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -2.726 -11.575 -0.282 1.00 0.00 H new ATOM 29 N GLY A 4 0.964 -12.827 -0.836 1.00 0.00 N ATOM 30 CA GLY A 4 2.010 -12.406 -1.752 1.00 0.00 C ATOM 31 C GLY A 4 2.471 -10.981 -1.441 1.00 0.00 C ATOM 32 O GLY A 4 2.097 -10.413 -0.417 1.00 0.00 O ATOM 0 H GLY A 4 1.300 -13.225 0.041 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.856 -13.089 -1.682 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.643 -12.458 -2.777 1.00 0.00 H new ATOM 36 N LYS A 5 3.276 -10.443 -2.346 1.00 0.00 N ATOM 37 CA LYS A 5 3.792 -9.096 -2.181 1.00 0.00 C ATOM 38 C LYS A 5 3.043 -8.149 -3.121 1.00 0.00 C ATOM 39 O LYS A 5 2.510 -8.577 -4.144 1.00 0.00 O ATOM 40 CB LYS A 5 5.310 -9.075 -2.371 1.00 0.00 C ATOM 41 CG LYS A 5 6.018 -9.772 -1.206 1.00 0.00 C ATOM 42 CD LYS A 5 7.536 -9.606 -1.308 1.00 0.00 C ATOM 43 CE LYS A 5 8.258 -10.862 -0.815 1.00 0.00 C ATOM 44 NZ LYS A 5 9.505 -10.497 -0.108 1.00 0.00 N ATOM 0 H LYS A 5 3.583 -10.916 -3.196 1.00 0.00 H new ATOM 0 HA LYS A 5 3.616 -8.744 -1.165 1.00 0.00 H new ATOM 0 HB2 LYS A 5 5.570 -9.569 -3.307 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.656 -8.044 -2.448 1.00 0.00 H new ATOM 0 HG2 LYS A 5 5.666 -9.357 -0.261 1.00 0.00 H new ATOM 0 HG3 LYS A 5 5.764 -10.832 -1.203 1.00 0.00 H new ATOM 0 HD2 LYS A 5 7.815 -9.404 -2.342 1.00 0.00 H new ATOM 0 HD3 LYS A 5 7.852 -8.745 -0.719 1.00 0.00 H new ATOM 0 HE2 LYS A 5 7.606 -11.426 -0.148 1.00 0.00 H new ATOM 0 HE3 LYS A 5 8.488 -11.512 -1.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 9.983 -11.360 0.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 10.132 -9.979 -0.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 9.277 -9.895 0.709 1.00 0.00 H new ATOM 58 N PHE A 6 3.026 -6.880 -2.740 1.00 0.00 N ATOM 59 CA PHE A 6 2.351 -5.869 -3.536 1.00 0.00 C ATOM 60 C PHE A 6 3.193 -4.596 -3.636 1.00 0.00 C ATOM 61 O PHE A 6 4.151 -4.421 -2.885 1.00 0.00 O ATOM 62 CB PHE A 6 1.037 -5.542 -2.824 1.00 0.00 C ATOM 63 CG PHE A 6 0.063 -6.719 -2.745 1.00 0.00 C ATOM 64 CD1 PHE A 6 0.387 -7.823 -2.020 1.00 0.00 C ATOM 65 CD2 PHE A 6 -1.129 -6.662 -3.398 1.00 0.00 C ATOM 66 CE1 PHE A 6 -0.516 -8.916 -1.946 1.00 0.00 C ATOM 67 CE2 PHE A 6 -2.033 -7.754 -3.325 1.00 0.00 C ATOM 68 CZ PHE A 6 -1.708 -8.858 -2.600 1.00 0.00 C ATOM 0 H PHE A 6 3.469 -6.529 -1.891 1.00 0.00 H new ATOM 0 HA PHE A 6 2.185 -6.242 -4.546 1.00 0.00 H new ATOM 0 HB2 PHE A 6 1.259 -5.199 -1.814 1.00 0.00 H new ATOM 0 HB3 PHE A 6 0.551 -4.715 -3.342 1.00 0.00 H new ATOM 0 HD1 PHE A 6 1.332 -7.868 -1.500 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -1.388 -5.785 -3.973 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -0.257 -9.793 -1.371 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -2.979 -7.708 -3.845 1.00 0.00 H new ATOM 0 HZ PHE A 6 -2.396 -9.689 -2.543 1.00 0.00 H new ATOM 78 N ILE A 7 2.805 -3.739 -4.569 1.00 0.00 N ATOM 79 CA ILE A 7 3.513 -2.486 -4.776 1.00 0.00 C ATOM 80 C ILE A 7 2.502 -1.375 -5.062 1.00 0.00 C ATOM 81 O ILE A 7 2.064 -1.206 -6.199 1.00 0.00 O ATOM 82 CB ILE A 7 4.576 -2.645 -5.864 1.00 0.00 C ATOM 83 CG1 ILE A 7 5.048 -4.097 -5.962 1.00 0.00 C ATOM 84 CG2 ILE A 7 5.739 -1.678 -5.640 1.00 0.00 C ATOM 85 CD1 ILE A 7 6.032 -4.278 -7.120 1.00 0.00 C ATOM 0 H ILE A 7 2.010 -3.887 -5.190 1.00 0.00 H new ATOM 0 HA ILE A 7 4.054 -2.201 -3.874 1.00 0.00 H new ATOM 0 HB ILE A 7 4.124 -2.388 -6.822 1.00 0.00 H new ATOM 0 HG12 ILE A 7 5.524 -4.392 -5.027 1.00 0.00 H new ATOM 0 HG13 ILE A 7 4.189 -4.753 -6.104 1.00 0.00 H new ATOM 0 HG21 ILE A 7 6.481 -1.812 -6.428 1.00 0.00 H new ATOM 0 HG22 ILE A 7 5.369 -0.653 -5.661 1.00 0.00 H new ATOM 0 HG23 ILE A 7 6.198 -1.879 -4.672 1.00 0.00 H new ATOM 0 HD11 ILE A 7 6.351 -5.319 -7.167 1.00 0.00 H new ATOM 0 HD12 ILE A 7 5.546 -4.005 -8.057 1.00 0.00 H new ATOM 0 HD13 ILE A 7 6.901 -3.639 -6.963 1.00 0.00 H new ATOM 97 N VAL A 8 2.159 -0.645 -4.011 1.00 0.00 N ATOM 98 CA VAL A 8 1.207 0.446 -4.134 1.00 0.00 C ATOM 99 C VAL A 8 1.954 1.780 -4.058 1.00 0.00 C ATOM 100 O VAL A 8 3.098 1.830 -3.612 1.00 0.00 O ATOM 101 CB VAL A 8 0.115 0.311 -3.071 1.00 0.00 C ATOM 102 CG1 VAL A 8 -0.028 -1.142 -2.614 1.00 0.00 C ATOM 103 CG2 VAL A 8 0.389 1.235 -1.883 1.00 0.00 C ATOM 0 H VAL A 8 2.524 -0.788 -3.069 1.00 0.00 H new ATOM 0 HA VAL A 8 0.706 0.408 -5.101 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.830 0.615 -3.521 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -0.811 -1.210 -1.858 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -0.291 -1.767 -3.467 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.916 -1.485 -2.191 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.402 1.119 -1.142 1.00 0.00 H new ATOM 0 HG22 VAL A 8 1.348 0.976 -1.434 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.417 2.269 -2.225 1.00 0.00 H new ATOM 113 N ILE A 9 1.274 2.827 -4.502 1.00 0.00 N ATOM 114 CA ILE A 9 1.858 4.157 -4.491 1.00 0.00 C ATOM 115 C ILE A 9 0.811 5.166 -4.013 1.00 0.00 C ATOM 116 O ILE A 9 -0.339 4.803 -3.772 1.00 0.00 O ATOM 117 CB ILE A 9 2.456 4.492 -5.858 1.00 0.00 C ATOM 118 CG1 ILE A 9 3.969 4.700 -5.759 1.00 0.00 C ATOM 119 CG2 ILE A 9 1.752 5.697 -6.485 1.00 0.00 C ATOM 120 CD1 ILE A 9 4.715 3.371 -5.887 1.00 0.00 C ATOM 0 H ILE A 9 0.324 2.781 -4.871 1.00 0.00 H new ATOM 0 HA ILE A 9 2.689 4.202 -3.787 1.00 0.00 H new ATOM 0 HB ILE A 9 2.290 3.642 -6.520 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.298 5.383 -6.543 1.00 0.00 H new ATOM 0 HG13 ILE A 9 4.214 5.168 -4.805 1.00 0.00 H new ATOM 0 HG21 ILE A 9 2.197 5.914 -7.456 1.00 0.00 H new ATOM 0 HG22 ILE A 9 0.693 5.474 -6.613 1.00 0.00 H new ATOM 0 HG23 ILE A 9 1.864 6.564 -5.833 1.00 0.00 H new ATOM 0 HD11 ILE A 9 5.788 3.548 -5.813 1.00 0.00 H new ATOM 0 HD12 ILE A 9 4.402 2.700 -5.088 1.00 0.00 H new ATOM 0 HD13 ILE A 9 4.487 2.917 -6.852 1.00 0.00 H new ATOM 132 N PHE A 10 1.247 6.411 -3.892 1.00 0.00 N ATOM 133 CA PHE A 10 0.362 7.474 -3.448 1.00 0.00 C ATOM 134 C PHE A 10 0.550 8.734 -4.297 1.00 0.00 C ATOM 135 O PHE A 10 1.667 9.054 -4.699 1.00 0.00 O ATOM 136 CB PHE A 10 0.733 7.790 -1.999 1.00 0.00 C ATOM 137 CG PHE A 10 0.739 6.568 -1.078 1.00 0.00 C ATOM 138 CD1 PHE A 10 -0.425 6.117 -0.539 1.00 0.00 C ATOM 139 CD2 PHE A 10 1.909 5.933 -0.798 1.00 0.00 C ATOM 140 CE1 PHE A 10 -0.420 4.983 0.315 1.00 0.00 C ATOM 141 CE2 PHE A 10 1.915 4.799 0.056 1.00 0.00 C ATOM 142 CZ PHE A 10 0.750 4.348 0.596 1.00 0.00 C ATOM 0 H PHE A 10 2.202 6.707 -4.094 1.00 0.00 H new ATOM 0 HA PHE A 10 -0.677 7.156 -3.541 1.00 0.00 H new ATOM 0 HB2 PHE A 10 1.720 8.252 -1.980 1.00 0.00 H new ATOM 0 HB3 PHE A 10 0.030 8.525 -1.607 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -1.354 6.622 -0.761 1.00 0.00 H new ATOM 0 HD2 PHE A 10 2.834 6.292 -1.226 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -1.345 4.624 0.742 1.00 0.00 H new ATOM 0 HE2 PHE A 10 2.844 4.294 0.277 1.00 0.00 H new ATOM 0 HZ PHE A 10 0.754 3.486 1.247 1.00 0.00 H new ATOM 152 N LYS A 11 -0.561 9.414 -4.543 1.00 0.00 N ATOM 153 CA LYS A 11 -0.532 10.631 -5.335 1.00 0.00 C ATOM 154 C LYS A 11 0.552 11.563 -4.793 1.00 0.00 C ATOM 155 O LYS A 11 1.222 11.238 -3.813 1.00 0.00 O ATOM 156 CB LYS A 11 -1.922 11.269 -5.387 1.00 0.00 C ATOM 157 CG LYS A 11 -2.454 11.540 -3.979 1.00 0.00 C ATOM 158 CD LYS A 11 -3.925 11.957 -4.018 1.00 0.00 C ATOM 159 CE LYS A 11 -4.101 13.277 -4.771 1.00 0.00 C ATOM 160 NZ LYS A 11 -5.526 13.501 -5.100 1.00 0.00 N ATOM 0 H LYS A 11 -1.486 9.145 -4.208 1.00 0.00 H new ATOM 0 HA LYS A 11 -0.270 10.406 -6.369 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -1.877 12.202 -5.948 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.609 10.610 -5.918 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.342 10.646 -3.366 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.862 12.325 -3.508 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -4.515 11.178 -4.500 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -4.304 12.061 -3.001 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -3.728 14.101 -4.163 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -3.509 13.262 -5.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -5.627 14.401 -5.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -5.871 12.723 -5.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -6.083 13.536 -4.223 1.00 0.00 H new ATOM 174 N ASN A 12 0.693 12.703 -5.453 1.00 0.00 N ATOM 175 CA ASN A 12 1.685 13.684 -5.049 1.00 0.00 C ATOM 176 C ASN A 12 1.029 14.721 -4.135 1.00 0.00 C ATOM 177 O ASN A 12 1.385 15.898 -4.169 1.00 0.00 O ATOM 178 CB ASN A 12 2.260 14.419 -6.261 1.00 0.00 C ATOM 179 CG ASN A 12 3.787 14.475 -6.196 1.00 0.00 C ATOM 180 OD1 ASN A 12 4.388 15.513 -5.975 1.00 0.00 O ATOM 181 ND2 ASN A 12 4.381 13.302 -6.401 1.00 0.00 N ATOM 0 H ASN A 12 0.136 12.969 -6.265 1.00 0.00 H new ATOM 0 HA ASN A 12 2.488 13.157 -4.533 1.00 0.00 H new ATOM 0 HB2 ASN A 12 1.950 13.915 -7.177 1.00 0.00 H new ATOM 0 HB3 ASN A 12 1.857 15.431 -6.302 1.00 0.00 H new ATOM 0 HD21 ASN A 12 5.399 13.235 -6.378 1.00 0.00 H new ATOM 0 HD22 ASN A 12 3.819 12.470 -6.581 1.00 0.00 H new ATOM 188 N ASP A 13 0.080 14.247 -3.341 1.00 0.00 N ATOM 189 CA ASP A 13 -0.629 15.118 -2.419 1.00 0.00 C ATOM 190 C ASP A 13 -0.513 14.558 -1.001 1.00 0.00 C ATOM 191 O ASP A 13 -0.282 15.304 -0.051 1.00 0.00 O ATOM 192 CB ASP A 13 -2.115 15.201 -2.775 1.00 0.00 C ATOM 193 CG ASP A 13 -2.889 16.313 -2.063 1.00 0.00 C ATOM 194 OD1 ASP A 13 -2.768 17.470 -2.521 1.00 0.00 O ATOM 195 OD2 ASP A 13 -3.582 15.980 -1.078 1.00 0.00 O ATOM 0 H ASP A 13 -0.214 13.271 -3.317 1.00 0.00 H new ATOM 0 HA ASP A 13 -0.185 16.111 -2.485 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -2.208 15.346 -3.851 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -2.583 14.245 -2.540 1.00 0.00 H new ATOM 200 N VAL A 14 -0.678 13.247 -0.901 1.00 0.00 N ATOM 201 CA VAL A 14 -0.594 12.576 0.385 1.00 0.00 C ATOM 202 C VAL A 14 0.519 13.217 1.217 1.00 0.00 C ATOM 203 O VAL A 14 1.481 13.752 0.666 1.00 0.00 O ATOM 204 CB VAL A 14 -0.398 11.073 0.180 1.00 0.00 C ATOM 205 CG1 VAL A 14 0.454 10.794 -1.059 1.00 0.00 C ATOM 206 CG2 VAL A 14 0.214 10.426 1.424 1.00 0.00 C ATOM 0 H VAL A 14 -0.870 12.631 -1.691 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.525 12.695 0.940 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.379 10.626 0.018 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.577 9.718 -1.181 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.039 11.205 -1.940 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.432 11.260 -0.941 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.343 9.357 1.252 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.183 10.880 1.631 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.448 10.579 2.277 1.00 0.00 H new ATOM 216 N SER A 15 0.352 13.141 2.529 1.00 0.00 N ATOM 217 CA SER A 15 1.330 13.706 3.442 1.00 0.00 C ATOM 218 C SER A 15 2.379 12.653 3.803 1.00 0.00 C ATOM 219 O SER A 15 2.263 11.494 3.406 1.00 0.00 O ATOM 220 CB SER A 15 0.658 14.241 4.708 1.00 0.00 C ATOM 221 OG SER A 15 0.747 13.320 5.790 1.00 0.00 O ATOM 0 H SER A 15 -0.447 12.696 2.982 1.00 0.00 H new ATOM 0 HA SER A 15 1.820 14.542 2.943 1.00 0.00 H new ATOM 0 HB2 SER A 15 1.124 15.183 4.995 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.390 14.455 4.499 1.00 0.00 H new ATOM 0 HG SER A 15 0.609 13.795 6.636 1.00 0.00 H new ATOM 227 N GLU A 16 3.379 13.091 4.553 1.00 0.00 N ATOM 228 CA GLU A 16 4.447 12.201 4.972 1.00 0.00 C ATOM 229 C GLU A 16 3.960 11.277 6.092 1.00 0.00 C ATOM 230 O GLU A 16 4.088 10.057 5.994 1.00 0.00 O ATOM 231 CB GLU A 16 5.680 12.992 5.413 1.00 0.00 C ATOM 232 CG GLU A 16 6.961 12.366 4.857 1.00 0.00 C ATOM 233 CD GLU A 16 7.705 13.351 3.952 1.00 0.00 C ATOM 234 OE1 GLU A 16 8.495 14.144 4.508 1.00 0.00 O ATOM 235 OE2 GLU A 16 7.466 13.288 2.727 1.00 0.00 O ATOM 0 H GLU A 16 3.472 14.052 4.882 1.00 0.00 H new ATOM 0 HA GLU A 16 4.736 11.587 4.119 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.597 14.023 5.070 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.728 13.021 6.502 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.608 12.062 5.680 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.715 11.465 4.295 1.00 0.00 H new ATOM 242 N ASP A 17 3.412 11.895 7.129 1.00 0.00 N ATOM 243 CA ASP A 17 2.906 11.144 8.264 1.00 0.00 C ATOM 244 C ASP A 17 1.837 10.161 7.783 1.00 0.00 C ATOM 245 O ASP A 17 1.742 9.044 8.292 1.00 0.00 O ATOM 246 CB ASP A 17 2.265 12.072 9.297 1.00 0.00 C ATOM 247 CG ASP A 17 3.253 12.863 10.158 1.00 0.00 C ATOM 248 OD1 ASP A 17 4.469 12.652 9.964 1.00 0.00 O ATOM 249 OD2 ASP A 17 2.768 13.659 10.990 1.00 0.00 O ATOM 0 H ASP A 17 3.308 12.907 7.206 1.00 0.00 H new ATOM 0 HA ASP A 17 3.744 10.619 8.722 1.00 0.00 H new ATOM 0 HB2 ASP A 17 1.615 12.776 8.777 1.00 0.00 H new ATOM 0 HB3 ASP A 17 1.630 11.477 9.953 1.00 0.00 H new ATOM 254 N LYS A 18 1.058 10.611 6.811 1.00 0.00 N ATOM 255 CA LYS A 18 -0.001 9.785 6.256 1.00 0.00 C ATOM 256 C LYS A 18 0.610 8.521 5.647 1.00 0.00 C ATOM 257 O LYS A 18 0.118 7.417 5.877 1.00 0.00 O ATOM 258 CB LYS A 18 -0.851 10.592 5.273 1.00 0.00 C ATOM 259 CG LYS A 18 -2.239 10.872 5.851 1.00 0.00 C ATOM 260 CD LYS A 18 -2.212 12.086 6.782 1.00 0.00 C ATOM 261 CE LYS A 18 -3.316 13.080 6.420 1.00 0.00 C ATOM 262 NZ LYS A 18 -4.603 12.667 7.021 1.00 0.00 N ATOM 0 H LYS A 18 1.139 11.538 6.393 1.00 0.00 H new ATOM 0 HA LYS A 18 -0.684 9.463 7.042 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.352 11.533 5.043 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.947 10.045 4.335 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.946 11.047 5.040 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -2.592 9.998 6.398 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.336 11.760 7.815 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -1.241 12.577 6.717 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -3.047 14.076 6.772 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -3.417 13.141 5.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -5.342 13.353 6.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -4.866 11.726 6.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -4.507 12.631 8.056 1.00 0.00 H new ATOM 276 N ILE A 19 1.673 8.725 4.883 1.00 0.00 N ATOM 277 CA ILE A 19 2.355 7.616 4.239 1.00 0.00 C ATOM 278 C ILE A 19 2.746 6.581 5.296 1.00 0.00 C ATOM 279 O ILE A 19 2.341 5.422 5.214 1.00 0.00 O ATOM 280 CB ILE A 19 3.537 8.123 3.409 1.00 0.00 C ATOM 281 CG1 ILE A 19 3.337 7.812 1.924 1.00 0.00 C ATOM 282 CG2 ILE A 19 4.859 7.564 3.939 1.00 0.00 C ATOM 283 CD1 ILE A 19 4.260 8.668 1.055 1.00 0.00 C ATOM 0 H ILE A 19 2.079 9.642 4.696 1.00 0.00 H new ATOM 0 HA ILE A 19 1.690 7.118 3.534 1.00 0.00 H new ATOM 0 HB ILE A 19 3.584 9.208 3.508 1.00 0.00 H new ATOM 0 HG12 ILE A 19 3.535 6.756 1.740 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.299 7.995 1.647 1.00 0.00 H new ATOM 0 HG21 ILE A 19 5.682 7.940 3.332 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.998 7.878 4.973 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.839 6.475 3.890 1.00 0.00 H new ATOM 0 HD11 ILE A 19 4.097 8.427 0.004 1.00 0.00 H new ATOM 0 HD12 ILE A 19 4.043 9.723 1.223 1.00 0.00 H new ATOM 0 HD13 ILE A 19 5.298 8.465 1.317 1.00 0.00 H new ATOM 295 N ARG A 20 3.528 7.036 6.264 1.00 0.00 N ATOM 296 CA ARG A 20 3.977 6.164 7.335 1.00 0.00 C ATOM 297 C ARG A 20 2.777 5.540 8.050 1.00 0.00 C ATOM 298 O ARG A 20 2.865 4.422 8.555 1.00 0.00 O ATOM 299 CB ARG A 20 4.824 6.932 8.352 1.00 0.00 C ATOM 300 CG ARG A 20 6.143 7.396 7.729 1.00 0.00 C ATOM 301 CD ARG A 20 7.301 7.242 8.716 1.00 0.00 C ATOM 302 NE ARG A 20 8.508 7.916 8.189 1.00 0.00 N ATOM 303 CZ ARG A 20 9.705 7.890 8.790 1.00 0.00 C ATOM 304 NH1 ARG A 20 9.862 7.224 9.943 1.00 0.00 N ATOM 305 NH2 ARG A 20 10.746 8.530 8.240 1.00 0.00 N ATOM 0 H ARG A 20 3.862 7.998 6.329 1.00 0.00 H new ATOM 0 HA ARG A 20 4.588 5.379 6.889 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.267 7.795 8.717 1.00 0.00 H new ATOM 0 HB3 ARG A 20 5.028 6.297 9.214 1.00 0.00 H new ATOM 0 HG2 ARG A 20 6.348 6.816 6.829 1.00 0.00 H new ATOM 0 HG3 ARG A 20 6.058 8.439 7.423 1.00 0.00 H new ATOM 0 HD2 ARG A 20 7.027 7.670 9.680 1.00 0.00 H new ATOM 0 HD3 ARG A 20 7.509 6.185 8.884 1.00 0.00 H new ATOM 0 HE ARG A 20 8.424 8.433 7.314 1.00 0.00 H new ATOM 0 HH11 ARG A 20 9.070 6.737 10.363 1.00 0.00 H new ATOM 0 HH12 ARG A 20 10.773 7.204 10.401 1.00 0.00 H new ATOM 0 HH21 ARG A 20 10.627 9.037 7.363 1.00 0.00 H new ATOM 0 HH22 ARG A 20 11.657 8.510 8.698 1.00 0.00 H new ATOM 319 N GLU A 21 1.685 6.288 8.068 1.00 0.00 N ATOM 320 CA GLU A 21 0.469 5.822 8.713 1.00 0.00 C ATOM 321 C GLU A 21 -0.121 4.639 7.941 1.00 0.00 C ATOM 322 O GLU A 21 -0.154 3.518 8.447 1.00 0.00 O ATOM 323 CB GLU A 21 -0.552 6.954 8.844 1.00 0.00 C ATOM 324 CG GLU A 21 -0.212 7.864 10.027 1.00 0.00 C ATOM 325 CD GLU A 21 -1.384 7.948 11.008 1.00 0.00 C ATOM 326 OE1 GLU A 21 -2.534 7.890 10.524 1.00 0.00 O ATOM 327 OE2 GLU A 21 -1.102 8.068 12.220 1.00 0.00 O ATOM 0 H GLU A 21 1.616 7.214 7.646 1.00 0.00 H new ATOM 0 HA GLU A 21 0.721 5.486 9.719 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.572 7.539 7.924 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.550 6.535 8.977 1.00 0.00 H new ATOM 0 HG2 GLU A 21 0.671 7.484 10.541 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.035 8.862 9.664 1.00 0.00 H new ATOM 334 N THR A 22 -0.572 4.930 6.730 1.00 0.00 N ATOM 335 CA THR A 22 -1.158 3.905 5.884 1.00 0.00 C ATOM 336 C THR A 22 -0.384 2.593 6.022 1.00 0.00 C ATOM 337 O THR A 22 -0.982 1.519 6.084 1.00 0.00 O ATOM 338 CB THR A 22 -1.197 4.440 4.451 1.00 0.00 C ATOM 339 OG1 THR A 22 -2.132 5.514 4.507 1.00 0.00 O ATOM 340 CG2 THR A 22 -1.828 3.447 3.473 1.00 0.00 C ATOM 0 H THR A 22 -0.543 5.861 6.315 1.00 0.00 H new ATOM 0 HA THR A 22 -2.179 3.677 6.189 1.00 0.00 H new ATOM 0 HB THR A 22 -0.185 4.678 4.124 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.217 5.920 3.619 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.831 3.876 2.471 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.251 2.522 3.470 1.00 0.00 H new ATOM 0 HG23 THR A 22 -2.852 3.235 3.780 1.00 0.00 H new ATOM 348 N LYS A 23 0.934 2.722 6.066 1.00 0.00 N ATOM 349 CA LYS A 23 1.796 1.559 6.195 1.00 0.00 C ATOM 350 C LYS A 23 1.514 0.867 7.530 1.00 0.00 C ATOM 351 O LYS A 23 1.228 -0.329 7.565 1.00 0.00 O ATOM 352 CB LYS A 23 3.261 1.956 6.005 1.00 0.00 C ATOM 353 CG LYS A 23 3.715 1.704 4.565 1.00 0.00 C ATOM 354 CD LYS A 23 3.511 2.950 3.701 1.00 0.00 C ATOM 355 CE LYS A 23 4.791 3.783 3.627 1.00 0.00 C ATOM 356 NZ LYS A 23 4.895 4.461 2.316 1.00 0.00 N ATOM 0 H LYS A 23 1.426 3.614 6.015 1.00 0.00 H new ATOM 0 HA LYS A 23 1.581 0.835 5.409 1.00 0.00 H new ATOM 0 HB2 LYS A 23 3.391 3.010 6.252 1.00 0.00 H new ATOM 0 HB3 LYS A 23 3.888 1.388 6.692 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.767 1.419 4.556 1.00 0.00 H new ATOM 0 HG3 LYS A 23 3.155 0.869 4.144 1.00 0.00 H new ATOM 0 HD2 LYS A 23 3.207 2.654 2.697 1.00 0.00 H new ATOM 0 HD3 LYS A 23 2.703 3.554 4.114 1.00 0.00 H new ATOM 0 HE2 LYS A 23 4.796 4.523 4.427 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.659 3.141 3.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 5.324 5.400 2.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.488 3.893 1.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 3.946 4.567 1.904 1.00 0.00 H new ATOM 370 N ASP A 24 1.605 1.648 8.596 1.00 0.00 N ATOM 371 CA ASP A 24 1.364 1.125 9.931 1.00 0.00 C ATOM 372 C ASP A 24 -0.039 0.520 9.990 1.00 0.00 C ATOM 373 O ASP A 24 -0.244 -0.524 10.607 1.00 0.00 O ATOM 374 CB ASP A 24 1.446 2.235 10.980 1.00 0.00 C ATOM 375 CG ASP A 24 2.768 2.302 11.749 1.00 0.00 C ATOM 376 OD1 ASP A 24 3.755 1.740 11.229 1.00 0.00 O ATOM 377 OD2 ASP A 24 2.759 2.915 12.838 1.00 0.00 O ATOM 0 H ASP A 24 1.842 2.639 8.563 1.00 0.00 H new ATOM 0 HA ASP A 24 2.125 0.373 10.142 1.00 0.00 H new ATOM 0 HB2 ASP A 24 1.281 3.193 10.487 1.00 0.00 H new ATOM 0 HB3 ASP A 24 0.634 2.100 11.694 1.00 0.00 H new ATOM 382 N GLU A 25 -0.971 1.202 9.339 1.00 0.00 N ATOM 383 CA GLU A 25 -2.350 0.744 9.310 1.00 0.00 C ATOM 384 C GLU A 25 -2.418 -0.706 8.828 1.00 0.00 C ATOM 385 O GLU A 25 -3.180 -1.508 9.366 1.00 0.00 O ATOM 386 CB GLU A 25 -3.211 1.655 8.434 1.00 0.00 C ATOM 387 CG GLU A 25 -4.375 2.245 9.232 1.00 0.00 C ATOM 388 CD GLU A 25 -4.133 3.724 9.542 1.00 0.00 C ATOM 389 OE1 GLU A 25 -4.425 4.547 8.646 1.00 0.00 O ATOM 390 OE2 GLU A 25 -3.661 3.999 10.666 1.00 0.00 O ATOM 0 H GLU A 25 -0.798 2.068 8.828 1.00 0.00 H new ATOM 0 HA GLU A 25 -2.749 0.787 10.324 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -2.598 2.460 8.029 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -3.597 1.090 7.585 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -5.301 2.135 8.667 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -4.501 1.691 10.162 1.00 0.00 H new ATOM 397 N VAL A 26 -1.612 -0.998 7.818 1.00 0.00 N ATOM 398 CA VAL A 26 -1.571 -2.339 7.257 1.00 0.00 C ATOM 399 C VAL A 26 -0.783 -3.255 8.195 1.00 0.00 C ATOM 400 O VAL A 26 -1.186 -4.391 8.442 1.00 0.00 O ATOM 401 CB VAL A 26 -0.996 -2.295 5.840 1.00 0.00 C ATOM 402 CG1 VAL A 26 0.432 -2.840 5.811 1.00 0.00 C ATOM 403 CG2 VAL A 26 -1.894 -3.056 4.861 1.00 0.00 C ATOM 0 H VAL A 26 -0.982 -0.330 7.373 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.577 -2.750 7.172 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.963 -1.252 5.524 1.00 0.00 H new ATOM 0 HG11 VAL A 26 0.817 -2.797 4.792 1.00 0.00 H new ATOM 0 HG12 VAL A 26 1.065 -2.238 6.463 1.00 0.00 H new ATOM 0 HG13 VAL A 26 0.434 -3.874 6.157 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.463 -3.010 3.861 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.973 -4.097 5.174 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.886 -2.604 4.850 1.00 0.00 H new ATOM 413 N ILE A 27 0.328 -2.729 8.689 1.00 0.00 N ATOM 414 CA ILE A 27 1.177 -3.486 9.594 1.00 0.00 C ATOM 415 C ILE A 27 0.328 -4.031 10.745 1.00 0.00 C ATOM 416 O ILE A 27 0.504 -5.175 11.161 1.00 0.00 O ATOM 417 CB ILE A 27 2.363 -2.635 10.053 1.00 0.00 C ATOM 418 CG1 ILE A 27 3.170 -2.128 8.855 1.00 0.00 C ATOM 419 CG2 ILE A 27 3.236 -3.403 11.048 1.00 0.00 C ATOM 420 CD1 ILE A 27 4.330 -3.073 8.537 1.00 0.00 C ATOM 0 H ILE A 27 0.660 -1.788 8.480 1.00 0.00 H new ATOM 0 HA ILE A 27 1.611 -4.345 9.082 1.00 0.00 H new ATOM 0 HB ILE A 27 1.975 -1.760 10.574 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.519 -2.039 7.985 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.556 -1.131 9.067 1.00 0.00 H new ATOM 0 HG21 ILE A 27 4.072 -2.776 11.358 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.641 -3.673 11.921 1.00 0.00 H new ATOM 0 HG23 ILE A 27 3.618 -4.308 10.575 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.887 -2.690 7.682 1.00 0.00 H new ATOM 0 HD12 ILE A 27 4.992 -3.141 9.401 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.939 -4.063 8.301 1.00 0.00 H new ATOM 432 N ALA A 28 -0.570 -3.187 11.228 1.00 0.00 N ATOM 433 CA ALA A 28 -1.446 -3.569 12.322 1.00 0.00 C ATOM 434 C ALA A 28 -2.601 -4.409 11.776 1.00 0.00 C ATOM 435 O ALA A 28 -3.010 -5.389 12.398 1.00 0.00 O ATOM 436 CB ALA A 28 -1.931 -2.314 13.052 1.00 0.00 C ATOM 0 H ALA A 28 -0.710 -2.238 10.881 1.00 0.00 H new ATOM 0 HA ALA A 28 -0.909 -4.180 13.047 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -2.588 -2.602 13.873 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.074 -1.769 13.447 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -2.477 -1.677 12.356 1.00 0.00 H new ATOM 442 N GLU A 29 -3.096 -3.995 10.619 1.00 0.00 N ATOM 443 CA GLU A 29 -4.197 -4.699 9.981 1.00 0.00 C ATOM 444 C GLU A 29 -3.804 -6.149 9.693 1.00 0.00 C ATOM 445 O GLU A 29 -4.362 -7.075 10.279 1.00 0.00 O ATOM 446 CB GLU A 29 -4.637 -3.984 8.703 1.00 0.00 C ATOM 447 CG GLU A 29 -5.928 -4.590 8.151 1.00 0.00 C ATOM 448 CD GLU A 29 -7.139 -3.732 8.523 1.00 0.00 C ATOM 449 OE1 GLU A 29 -7.257 -2.633 7.939 1.00 0.00 O ATOM 450 OE2 GLU A 29 -7.920 -4.194 9.383 1.00 0.00 O ATOM 0 H GLU A 29 -2.756 -3.181 10.106 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.046 -4.703 10.665 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -4.788 -2.924 8.909 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -3.849 -4.054 7.953 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -5.859 -4.677 7.067 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -6.058 -5.598 8.544 1.00 0.00 H new ATOM 457 N GLY A 30 -2.848 -6.300 8.788 1.00 0.00 N ATOM 458 CA GLY A 30 -2.375 -7.622 8.414 1.00 0.00 C ATOM 459 C GLY A 30 -1.113 -7.530 7.553 1.00 0.00 C ATOM 460 O GLY A 30 -0.039 -7.958 7.972 1.00 0.00 O ATOM 0 H GLY A 30 -2.388 -5.529 8.303 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -2.166 -8.204 9.311 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -3.156 -8.150 7.866 1.00 0.00 H new ATOM 464 N GLY A 31 -1.285 -6.966 6.366 1.00 0.00 N ATOM 465 CA GLY A 31 -0.174 -6.813 5.443 1.00 0.00 C ATOM 466 C GLY A 31 1.084 -6.340 6.174 1.00 0.00 C ATOM 467 O GLY A 31 1.013 -5.903 7.322 1.00 0.00 O ATOM 0 H GLY A 31 -2.177 -6.610 6.023 1.00 0.00 H new ATOM 0 HA2 GLY A 31 0.025 -7.763 4.947 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -0.438 -6.096 4.665 1.00 0.00 H new ATOM 471 N THR A 32 2.208 -6.443 5.479 1.00 0.00 N ATOM 472 CA THR A 32 3.481 -6.032 6.048 1.00 0.00 C ATOM 473 C THR A 32 4.264 -5.183 5.045 1.00 0.00 C ATOM 474 O THR A 32 3.789 -4.927 3.939 1.00 0.00 O ATOM 475 CB THR A 32 4.228 -7.290 6.494 1.00 0.00 C ATOM 476 OG1 THR A 32 3.323 -8.353 6.205 1.00 0.00 O ATOM 477 CG2 THR A 32 4.408 -7.357 8.011 1.00 0.00 C ATOM 0 H THR A 32 2.264 -6.805 4.527 1.00 0.00 H new ATOM 0 HA THR A 32 3.337 -5.396 6.921 1.00 0.00 H new ATOM 0 HB THR A 32 5.204 -7.322 6.011 1.00 0.00 H new ATOM 0 HG1 THR A 32 3.729 -9.207 6.462 1.00 0.00 H new ATOM 0 HG21 THR A 32 4.944 -8.269 8.274 1.00 0.00 H new ATOM 0 HG22 THR A 32 4.978 -6.491 8.348 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.431 -7.359 8.494 1.00 0.00 H new ATOM 485 N ILE A 33 5.449 -4.769 5.466 1.00 0.00 N ATOM 486 CA ILE A 33 6.303 -3.954 4.619 1.00 0.00 C ATOM 487 C ILE A 33 7.741 -4.472 4.702 1.00 0.00 C ATOM 488 O ILE A 33 8.272 -4.665 5.794 1.00 0.00 O ATOM 489 CB ILE A 33 6.160 -2.474 4.979 1.00 0.00 C ATOM 490 CG1 ILE A 33 4.690 -2.095 5.168 1.00 0.00 C ATOM 491 CG2 ILE A 33 6.852 -1.587 3.942 1.00 0.00 C ATOM 492 CD1 ILE A 33 3.999 -1.890 3.818 1.00 0.00 C ATOM 0 H ILE A 33 5.839 -4.983 6.384 1.00 0.00 H new ATOM 0 HA ILE A 33 5.995 -4.035 3.577 1.00 0.00 H new ATOM 0 HB ILE A 33 6.661 -2.305 5.932 1.00 0.00 H new ATOM 0 HG12 ILE A 33 4.178 -2.878 5.728 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.619 -1.182 5.759 1.00 0.00 H new ATOM 0 HG21 ILE A 33 6.735 -0.540 4.222 1.00 0.00 H new ATOM 0 HG22 ILE A 33 7.913 -1.835 3.901 1.00 0.00 H new ATOM 0 HG23 ILE A 33 6.402 -1.753 2.963 1.00 0.00 H new ATOM 0 HD11 ILE A 33 2.955 -1.621 3.981 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.499 -1.090 3.271 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.050 -2.812 3.239 1.00 0.00 H new ATOM 504 N THR A 34 8.328 -4.680 3.533 1.00 0.00 N ATOM 505 CA THR A 34 9.695 -5.172 3.460 1.00 0.00 C ATOM 506 C THR A 34 10.625 -4.081 2.925 1.00 0.00 C ATOM 507 O THR A 34 11.800 -4.032 3.284 1.00 0.00 O ATOM 508 CB THR A 34 9.694 -6.443 2.609 1.00 0.00 C ATOM 509 OG1 THR A 34 9.221 -6.010 1.337 1.00 0.00 O ATOM 510 CG2 THR A 34 8.646 -7.457 3.072 1.00 0.00 C ATOM 0 H THR A 34 7.884 -4.517 2.629 1.00 0.00 H new ATOM 0 HA THR A 34 10.079 -5.426 4.448 1.00 0.00 H new ATOM 0 HB THR A 34 10.682 -6.902 2.642 1.00 0.00 H new ATOM 0 HG1 THR A 34 9.191 -6.773 0.722 1.00 0.00 H new ATOM 0 HG21 THR A 34 8.688 -8.340 2.434 1.00 0.00 H new ATOM 0 HG22 THR A 34 8.849 -7.744 4.104 1.00 0.00 H new ATOM 0 HG23 THR A 34 7.654 -7.010 3.008 1.00 0.00 H new ATOM 518 N ASN A 35 10.064 -3.236 2.073 1.00 0.00 N ATOM 519 CA ASN A 35 10.829 -2.149 1.483 1.00 0.00 C ATOM 520 C ASN A 35 9.892 -0.982 1.171 1.00 0.00 C ATOM 521 O ASN A 35 8.676 -1.158 1.102 1.00 0.00 O ATOM 522 CB ASN A 35 11.491 -2.588 0.176 1.00 0.00 C ATOM 523 CG ASN A 35 12.524 -3.688 0.427 1.00 0.00 C ATOM 524 OD1 ASN A 35 12.199 -4.851 0.603 1.00 0.00 O ATOM 525 ND2 ASN A 35 13.782 -3.258 0.433 1.00 0.00 N ATOM 0 H ASN A 35 9.089 -3.281 1.777 1.00 0.00 H new ATOM 0 HA ASN A 35 11.599 -1.853 2.195 1.00 0.00 H new ATOM 0 HB2 ASN A 35 10.731 -2.949 -0.517 1.00 0.00 H new ATOM 0 HB3 ASN A 35 11.973 -1.732 -0.297 1.00 0.00 H new ATOM 0 HD21 ASN A 35 14.545 -3.916 0.592 1.00 0.00 H new ATOM 0 HD22 ASN A 35 13.984 -2.270 0.279 1.00 0.00 H new ATOM 532 N GLU A 36 10.491 0.185 0.990 1.00 0.00 N ATOM 533 CA GLU A 36 9.725 1.382 0.686 1.00 0.00 C ATOM 534 C GLU A 36 10.378 2.152 -0.463 1.00 0.00 C ATOM 535 O GLU A 36 11.516 1.871 -0.837 1.00 0.00 O ATOM 536 CB GLU A 36 9.575 2.267 1.925 1.00 0.00 C ATOM 537 CG GLU A 36 10.720 3.278 2.018 1.00 0.00 C ATOM 538 CD GLU A 36 12.058 2.573 2.248 1.00 0.00 C ATOM 539 OE1 GLU A 36 12.194 1.953 3.325 1.00 0.00 O ATOM 540 OE2 GLU A 36 12.913 2.669 1.342 1.00 0.00 O ATOM 0 H GLU A 36 11.499 0.328 1.048 1.00 0.00 H new ATOM 0 HA GLU A 36 8.725 1.080 0.373 1.00 0.00 H new ATOM 0 HB2 GLU A 36 8.622 2.794 1.887 1.00 0.00 H new ATOM 0 HB3 GLU A 36 9.560 1.646 2.821 1.00 0.00 H new ATOM 0 HG2 GLU A 36 10.767 3.864 1.100 1.00 0.00 H new ATOM 0 HG3 GLU A 36 10.528 3.976 2.833 1.00 0.00 H new ATOM 547 N TYR A 37 9.630 3.109 -0.992 1.00 0.00 N ATOM 548 CA TYR A 37 10.122 3.923 -2.091 1.00 0.00 C ATOM 549 C TYR A 37 10.023 5.413 -1.758 1.00 0.00 C ATOM 550 O TYR A 37 8.975 6.029 -1.953 1.00 0.00 O ATOM 551 CB TYR A 37 9.211 3.618 -3.282 1.00 0.00 C ATOM 552 CG TYR A 37 9.322 2.181 -3.798 1.00 0.00 C ATOM 553 CD1 TYR A 37 10.534 1.703 -4.254 1.00 0.00 C ATOM 554 CD2 TYR A 37 8.210 1.364 -3.806 1.00 0.00 C ATOM 555 CE1 TYR A 37 10.637 0.352 -4.740 1.00 0.00 C ATOM 556 CE2 TYR A 37 8.314 0.013 -4.292 1.00 0.00 C ATOM 557 CZ TYR A 37 9.522 -0.427 -4.734 1.00 0.00 C ATOM 558 OH TYR A 37 9.620 -1.704 -5.192 1.00 0.00 O ATOM 0 H TYR A 37 8.687 3.339 -0.680 1.00 0.00 H new ATOM 0 HA TYR A 37 11.169 3.698 -2.296 1.00 0.00 H new ATOM 0 HB2 TYR A 37 8.177 3.811 -2.995 1.00 0.00 H new ATOM 0 HB3 TYR A 37 9.450 4.304 -4.094 1.00 0.00 H new ATOM 0 HD1 TYR A 37 11.404 2.342 -4.246 1.00 0.00 H new ATOM 0 HD2 TYR A 37 7.262 1.738 -3.448 1.00 0.00 H new ATOM 0 HE1 TYR A 37 11.579 -0.034 -5.101 1.00 0.00 H new ATOM 0 HE2 TYR A 37 7.451 -0.637 -4.305 1.00 0.00 H new ATOM 0 HH TYR A 37 10.525 -2.042 -5.027 1.00 0.00 H new ATOM 568 N ASN A 38 11.127 5.950 -1.260 1.00 0.00 N ATOM 569 CA ASN A 38 11.177 7.356 -0.898 1.00 0.00 C ATOM 570 C ASN A 38 11.850 8.144 -2.023 1.00 0.00 C ATOM 571 O ASN A 38 13.010 8.536 -1.905 1.00 0.00 O ATOM 572 CB ASN A 38 11.993 7.567 0.380 1.00 0.00 C ATOM 573 CG ASN A 38 13.279 6.738 0.352 1.00 0.00 C ATOM 574 OD1 ASN A 38 13.201 5.596 1.029 1.00 0.00 O flip ATOM 575 ND2 ASN A 38 14.276 7.111 -0.244 1.00 0.00 N flip ATOM 0 H ASN A 38 11.994 5.437 -1.099 1.00 0.00 H new ATOM 0 HA ASN A 38 10.155 7.699 -0.735 1.00 0.00 H new ATOM 0 HB2 ASN A 38 12.239 8.623 0.488 1.00 0.00 H new ATOM 0 HB3 ASN A 38 11.395 7.288 1.248 1.00 0.00 H new ATOM 0 HD21 ASN A 38 14.268 8.000 -0.745 1.00 0.00 H new ATOM 0 HD22 ASN A 38 15.117 6.534 -0.242 1.00 0.00 H new ATOM 582 N MET A 39 11.092 8.355 -3.089 1.00 0.00 N ATOM 583 CA MET A 39 11.600 9.090 -4.235 1.00 0.00 C ATOM 584 C MET A 39 10.874 10.428 -4.394 1.00 0.00 C ATOM 585 O MET A 39 9.742 10.582 -3.940 1.00 0.00 O ATOM 586 CB MET A 39 11.413 8.254 -5.503 1.00 0.00 C ATOM 587 CG MET A 39 12.556 7.250 -5.670 1.00 0.00 C ATOM 588 SD MET A 39 12.409 6.416 -7.241 1.00 0.00 S ATOM 589 CE MET A 39 14.130 6.078 -7.575 1.00 0.00 C ATOM 0 H MET A 39 10.130 8.030 -3.183 1.00 0.00 H new ATOM 0 HA MET A 39 12.659 9.289 -4.074 1.00 0.00 H new ATOM 0 HB2 MET A 39 10.462 7.724 -5.456 1.00 0.00 H new ATOM 0 HB3 MET A 39 11.370 8.910 -6.373 1.00 0.00 H new ATOM 0 HG2 MET A 39 13.515 7.765 -5.610 1.00 0.00 H new ATOM 0 HG3 MET A 39 12.534 6.522 -4.859 1.00 0.00 H new ATOM 0 HE1 MET A 39 14.220 5.556 -8.528 1.00 0.00 H new ATOM 0 HE2 MET A 39 14.683 7.016 -7.622 1.00 0.00 H new ATOM 0 HE3 MET A 39 14.539 5.455 -6.780 1.00 0.00 H new ATOM 599 N PRO A 40 11.575 11.387 -5.057 1.00 0.00 N ATOM 600 CA PRO A 40 11.010 12.706 -5.282 1.00 0.00 C ATOM 601 C PRO A 40 9.950 12.668 -6.385 1.00 0.00 C ATOM 602 O PRO A 40 9.095 13.549 -6.461 1.00 0.00 O ATOM 603 CB PRO A 40 12.197 13.589 -5.629 1.00 0.00 C ATOM 604 CG PRO A 40 13.314 12.643 -6.041 1.00 0.00 C ATOM 605 CD PRO A 40 12.918 11.240 -5.609 1.00 0.00 C ATOM 0 HA PRO A 40 10.485 13.093 -4.409 1.00 0.00 H new ATOM 0 HB2 PRO A 40 11.949 14.276 -6.438 1.00 0.00 H new ATOM 0 HB3 PRO A 40 12.495 14.196 -4.774 1.00 0.00 H new ATOM 0 HG2 PRO A 40 13.469 12.681 -7.119 1.00 0.00 H new ATOM 0 HG3 PRO A 40 14.254 12.936 -5.574 1.00 0.00 H new ATOM 0 HD2 PRO A 40 12.926 10.549 -6.452 1.00 0.00 H new ATOM 0 HD3 PRO A 40 13.610 10.844 -4.866 1.00 0.00 H new ATOM 613 N GLY A 41 10.042 11.638 -7.214 1.00 0.00 N ATOM 614 CA GLY A 41 9.102 11.474 -8.310 1.00 0.00 C ATOM 615 C GLY A 41 8.134 10.321 -8.034 1.00 0.00 C ATOM 616 O GLY A 41 7.106 10.196 -8.697 1.00 0.00 O ATOM 0 H GLY A 41 10.753 10.909 -7.149 1.00 0.00 H new ATOM 0 HA2 GLY A 41 8.541 12.398 -8.454 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.646 11.283 -9.235 1.00 0.00 H new ATOM 620 N MET A 42 8.499 9.506 -7.055 1.00 0.00 N ATOM 621 CA MET A 42 7.677 8.367 -6.683 1.00 0.00 C ATOM 622 C MET A 42 7.570 8.241 -5.163 1.00 0.00 C ATOM 623 O MET A 42 8.576 8.308 -4.459 1.00 0.00 O ATOM 624 CB MET A 42 8.286 7.087 -7.260 1.00 0.00 C ATOM 625 CG MET A 42 7.337 5.900 -7.082 1.00 0.00 C ATOM 626 SD MET A 42 8.220 4.512 -6.388 1.00 0.00 S ATOM 627 CE MET A 42 8.637 3.632 -7.883 1.00 0.00 C ATOM 0 H MET A 42 9.353 9.612 -6.508 1.00 0.00 H new ATOM 0 HA MET A 42 6.676 8.518 -7.087 1.00 0.00 H new ATOM 0 HB2 MET A 42 8.503 7.228 -8.319 1.00 0.00 H new ATOM 0 HB3 MET A 42 9.234 6.876 -6.766 1.00 0.00 H new ATOM 0 HG2 MET A 42 6.510 6.179 -6.429 1.00 0.00 H new ATOM 0 HG3 MET A 42 6.904 5.623 -8.043 1.00 0.00 H new ATOM 0 HE1 MET A 42 9.196 2.731 -7.631 1.00 0.00 H new ATOM 0 HE2 MET A 42 7.723 3.357 -8.410 1.00 0.00 H new ATOM 0 HE3 MET A 42 9.247 4.270 -8.523 1.00 0.00 H new ATOM 637 N LYS A 43 6.341 8.062 -4.701 1.00 0.00 N ATOM 638 CA LYS A 43 6.089 7.926 -3.276 1.00 0.00 C ATOM 639 C LYS A 43 5.213 6.696 -3.033 1.00 0.00 C ATOM 640 O LYS A 43 3.986 6.794 -3.027 1.00 0.00 O ATOM 641 CB LYS A 43 5.503 9.221 -2.711 1.00 0.00 C ATOM 642 CG LYS A 43 6.262 9.665 -1.458 1.00 0.00 C ATOM 643 CD LYS A 43 7.152 10.873 -1.757 1.00 0.00 C ATOM 644 CE LYS A 43 7.878 11.345 -0.495 1.00 0.00 C ATOM 645 NZ LYS A 43 7.901 12.823 -0.431 1.00 0.00 N ATOM 0 H LYS A 43 5.509 8.008 -5.288 1.00 0.00 H new ATOM 0 HA LYS A 43 7.022 7.764 -2.737 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.550 10.006 -3.466 1.00 0.00 H new ATOM 0 HB3 LYS A 43 4.450 9.073 -2.470 1.00 0.00 H new ATOM 0 HG2 LYS A 43 5.553 9.917 -0.669 1.00 0.00 H new ATOM 0 HG3 LYS A 43 6.872 8.842 -1.087 1.00 0.00 H new ATOM 0 HD2 LYS A 43 7.881 10.611 -2.524 1.00 0.00 H new ATOM 0 HD3 LYS A 43 6.546 11.686 -2.158 1.00 0.00 H new ATOM 0 HE2 LYS A 43 7.381 10.945 0.389 1.00 0.00 H new ATOM 0 HE3 LYS A 43 8.897 10.959 -0.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 7.771 13.130 0.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 8.815 13.172 -0.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 7.133 13.208 -1.018 1.00 0.00 H new ATOM 659 N GLY A 44 5.876 5.566 -2.838 1.00 0.00 N ATOM 660 CA GLY A 44 5.172 4.317 -2.595 1.00 0.00 C ATOM 661 C GLY A 44 6.010 3.375 -1.728 1.00 0.00 C ATOM 662 O GLY A 44 7.013 3.787 -1.148 1.00 0.00 O ATOM 0 H GLY A 44 6.893 5.488 -2.843 1.00 0.00 H new ATOM 0 HA2 GLY A 44 4.221 4.521 -2.102 1.00 0.00 H new ATOM 0 HA3 GLY A 44 4.942 3.834 -3.545 1.00 0.00 H new ATOM 666 N PHE A 45 5.567 2.128 -1.667 1.00 0.00 N ATOM 667 CA PHE A 45 6.264 1.125 -0.881 1.00 0.00 C ATOM 668 C PHE A 45 6.023 -0.278 -1.445 1.00 0.00 C ATOM 669 O PHE A 45 5.142 -0.472 -2.280 1.00 0.00 O ATOM 670 CB PHE A 45 5.699 1.196 0.538 1.00 0.00 C ATOM 671 CG PHE A 45 4.323 0.545 0.693 1.00 0.00 C ATOM 672 CD1 PHE A 45 4.215 -0.810 0.755 1.00 0.00 C ATOM 673 CD2 PHE A 45 3.208 1.320 0.769 1.00 0.00 C ATOM 674 CE1 PHE A 45 2.938 -1.415 0.898 1.00 0.00 C ATOM 675 CE2 PHE A 45 1.932 0.715 0.913 1.00 0.00 C ATOM 676 CZ PHE A 45 1.823 -0.639 0.975 1.00 0.00 C ATOM 0 H PHE A 45 4.734 1.790 -2.149 1.00 0.00 H new ATOM 0 HA PHE A 45 7.337 1.316 -0.901 1.00 0.00 H new ATOM 0 HB2 PHE A 45 6.397 0.712 1.221 1.00 0.00 H new ATOM 0 HB3 PHE A 45 5.631 2.241 0.839 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.100 -1.426 0.695 1.00 0.00 H new ATOM 0 HD2 PHE A 45 3.293 2.395 0.720 1.00 0.00 H new ATOM 0 HE1 PHE A 45 2.852 -2.491 0.946 1.00 0.00 H new ATOM 0 HE2 PHE A 45 1.047 1.331 0.973 1.00 0.00 H new ATOM 0 HZ PHE A 45 0.852 -1.098 1.085 1.00 0.00 H new ATOM 686 N ALA A 46 6.822 -1.219 -0.964 1.00 0.00 N ATOM 687 CA ALA A 46 6.705 -2.597 -1.408 1.00 0.00 C ATOM 688 C ALA A 46 6.840 -3.531 -0.204 1.00 0.00 C ATOM 689 O ALA A 46 7.674 -3.303 0.672 1.00 0.00 O ATOM 690 CB ALA A 46 7.757 -2.878 -2.484 1.00 0.00 C ATOM 0 H ALA A 46 7.553 -1.054 -0.272 1.00 0.00 H new ATOM 0 HA ALA A 46 5.726 -2.774 -1.854 1.00 0.00 H new ATOM 0 HB1 ALA A 46 7.669 -3.912 -2.817 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.599 -2.209 -3.330 1.00 0.00 H new ATOM 0 HB3 ALA A 46 8.752 -2.713 -2.072 1.00 0.00 H new ATOM 696 N GLY A 47 6.008 -4.562 -0.198 1.00 0.00 N ATOM 697 CA GLY A 47 6.024 -5.530 0.885 1.00 0.00 C ATOM 698 C GLY A 47 4.923 -6.577 0.701 1.00 0.00 C ATOM 699 O GLY A 47 4.595 -6.946 -0.426 1.00 0.00 O ATOM 0 H GLY A 47 5.318 -4.748 -0.926 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.996 -6.022 0.923 1.00 0.00 H new ATOM 0 HA3 GLY A 47 5.888 -5.018 1.837 1.00 0.00 H new ATOM 703 N GLU A 48 4.383 -7.026 1.825 1.00 0.00 N ATOM 704 CA GLU A 48 3.327 -8.023 1.801 1.00 0.00 C ATOM 705 C GLU A 48 1.964 -7.358 2.008 1.00 0.00 C ATOM 706 O GLU A 48 1.818 -6.488 2.865 1.00 0.00 O ATOM 707 CB GLU A 48 3.572 -9.107 2.852 1.00 0.00 C ATOM 708 CG GLU A 48 4.213 -10.345 2.223 1.00 0.00 C ATOM 709 CD GLU A 48 5.485 -10.746 2.975 1.00 0.00 C ATOM 710 OE1 GLU A 48 5.387 -10.901 4.212 1.00 0.00 O ATOM 711 OE2 GLU A 48 6.525 -10.890 2.296 1.00 0.00 O ATOM 0 H GLU A 48 4.657 -6.717 2.758 1.00 0.00 H new ATOM 0 HA GLU A 48 3.331 -8.504 0.823 1.00 0.00 H new ATOM 0 HB2 GLU A 48 4.219 -8.717 3.638 1.00 0.00 H new ATOM 0 HB3 GLU A 48 2.628 -9.381 3.323 1.00 0.00 H new ATOM 0 HG2 GLU A 48 3.503 -11.172 2.235 1.00 0.00 H new ATOM 0 HG3 GLU A 48 4.452 -10.145 1.179 1.00 0.00 H new ATOM 718 N LEU A 49 1.002 -7.792 1.207 1.00 0.00 N ATOM 719 CA LEU A 49 -0.343 -7.250 1.291 1.00 0.00 C ATOM 720 C LEU A 49 -1.357 -8.374 1.072 1.00 0.00 C ATOM 721 O LEU A 49 -1.001 -9.552 1.111 1.00 0.00 O ATOM 722 CB LEU A 49 -0.509 -6.076 0.324 1.00 0.00 C ATOM 723 CG LEU A 49 -0.448 -4.680 0.946 1.00 0.00 C ATOM 724 CD1 LEU A 49 0.237 -3.688 0.003 1.00 0.00 C ATOM 725 CD2 LEU A 49 -1.841 -4.205 1.365 1.00 0.00 C ATOM 0 H LEU A 49 1.128 -8.513 0.497 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.527 -6.843 2.285 1.00 0.00 H new ATOM 0 HB2 LEU A 49 0.267 -6.147 -0.438 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.467 -6.183 -0.185 1.00 0.00 H new ATOM 0 HG LEU A 49 0.159 -4.735 1.850 1.00 0.00 H new ATOM 0 HD11 LEU A 49 0.267 -2.703 0.470 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.254 -4.023 -0.202 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -0.321 -3.630 -0.931 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.769 -3.210 1.804 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.492 -4.170 0.491 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.256 -4.896 2.099 1.00 0.00 H new ATOM 737 N THR A 50 -2.599 -7.973 0.848 1.00 0.00 N ATOM 738 CA THR A 50 -3.667 -8.932 0.623 1.00 0.00 C ATOM 739 C THR A 50 -4.786 -8.301 -0.206 1.00 0.00 C ATOM 740 O THR A 50 -4.700 -7.134 -0.586 1.00 0.00 O ATOM 741 CB THR A 50 -4.135 -9.446 1.986 1.00 0.00 C ATOM 742 OG1 THR A 50 -3.303 -8.764 2.920 1.00 0.00 O ATOM 743 CG2 THR A 50 -3.804 -10.924 2.201 1.00 0.00 C ATOM 0 H THR A 50 -2.890 -6.996 0.817 1.00 0.00 H new ATOM 0 HA THR A 50 -3.317 -9.784 0.041 1.00 0.00 H new ATOM 0 HB THR A 50 -5.211 -9.299 2.078 1.00 0.00 H new ATOM 0 HG1 THR A 50 -3.540 -9.038 3.830 1.00 0.00 H new ATOM 0 HG21 THR A 50 -4.158 -11.237 3.183 1.00 0.00 H new ATOM 0 HG22 THR A 50 -4.293 -11.522 1.432 1.00 0.00 H new ATOM 0 HG23 THR A 50 -2.725 -11.068 2.141 1.00 0.00 H new ATOM 751 N PRO A 51 -5.839 -9.120 -0.470 1.00 0.00 N ATOM 752 CA PRO A 51 -6.975 -8.653 -1.247 1.00 0.00 C ATOM 753 C PRO A 51 -7.862 -7.723 -0.418 1.00 0.00 C ATOM 754 O PRO A 51 -8.511 -6.831 -0.961 1.00 0.00 O ATOM 755 CB PRO A 51 -7.692 -9.917 -1.694 1.00 0.00 C ATOM 756 CG PRO A 51 -7.205 -11.021 -0.770 1.00 0.00 C ATOM 757 CD PRO A 51 -5.976 -10.508 -0.037 1.00 0.00 C ATOM 0 HA PRO A 51 -6.678 -8.054 -2.108 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -8.773 -9.798 -1.624 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -7.463 -10.149 -2.734 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -7.985 -11.297 -0.060 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -6.962 -11.917 -1.341 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -6.103 -10.575 1.044 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -5.091 -11.091 -0.291 1.00 0.00 H new ATOM 765 N GLN A 52 -7.861 -7.964 0.885 1.00 0.00 N ATOM 766 CA GLN A 52 -8.658 -7.159 1.795 1.00 0.00 C ATOM 767 C GLN A 52 -8.053 -5.760 1.936 1.00 0.00 C ATOM 768 O GLN A 52 -8.733 -4.760 1.710 1.00 0.00 O ATOM 769 CB GLN A 52 -8.788 -7.839 3.159 1.00 0.00 C ATOM 770 CG GLN A 52 -9.857 -7.156 4.014 1.00 0.00 C ATOM 771 CD GLN A 52 -9.304 -5.893 4.677 1.00 0.00 C ATOM 772 OE1 GLN A 52 -9.777 -4.789 4.460 1.00 0.00 O ATOM 773 NE2 GLN A 52 -8.280 -6.116 5.495 1.00 0.00 N ATOM 0 H GLN A 52 -7.321 -8.705 1.332 1.00 0.00 H new ATOM 0 HA GLN A 52 -9.660 -7.060 1.378 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -9.044 -8.890 3.022 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.829 -7.809 3.677 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -10.715 -6.899 3.393 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -10.212 -7.847 4.779 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -7.934 -7.066 5.631 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -7.841 -5.337 5.986 1.00 0.00 H new ATOM 782 N SER A 53 -6.781 -5.735 2.308 1.00 0.00 N ATOM 783 CA SER A 53 -6.077 -4.476 2.481 1.00 0.00 C ATOM 784 C SER A 53 -6.228 -3.614 1.226 1.00 0.00 C ATOM 785 O SER A 53 -6.462 -2.410 1.320 1.00 0.00 O ATOM 786 CB SER A 53 -4.597 -4.710 2.789 1.00 0.00 C ATOM 787 OG SER A 53 -4.333 -4.691 4.189 1.00 0.00 O ATOM 0 H SER A 53 -6.220 -6.566 2.494 1.00 0.00 H new ATOM 0 HA SER A 53 -6.518 -3.952 3.329 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.288 -5.670 2.375 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.999 -3.943 2.297 1.00 0.00 H new ATOM 0 HG SER A 53 -3.686 -5.393 4.409 1.00 0.00 H new ATOM 793 N LEU A 54 -6.089 -4.265 0.080 1.00 0.00 N ATOM 794 CA LEU A 54 -6.207 -3.574 -1.192 1.00 0.00 C ATOM 795 C LEU A 54 -7.521 -2.790 -1.221 1.00 0.00 C ATOM 796 O LEU A 54 -7.515 -1.560 -1.165 1.00 0.00 O ATOM 797 CB LEU A 54 -6.053 -4.558 -2.353 1.00 0.00 C ATOM 798 CG LEU A 54 -4.775 -4.423 -3.182 1.00 0.00 C ATOM 799 CD1 LEU A 54 -3.537 -4.729 -2.336 1.00 0.00 C ATOM 800 CD2 LEU A 54 -4.841 -5.295 -4.437 1.00 0.00 C ATOM 0 H LEU A 54 -5.896 -5.264 0.006 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.400 -2.851 -1.309 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -6.097 -5.571 -1.953 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -6.908 -4.440 -3.019 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.691 -3.388 -3.513 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.642 -4.626 -2.950 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.486 -4.031 -1.500 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.600 -5.748 -1.955 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.920 -5.180 -5.009 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.962 -6.339 -4.149 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -5.689 -4.988 -5.049 1.00 0.00 H new ATOM 812 N THR A 55 -8.614 -3.532 -1.309 1.00 0.00 N ATOM 813 CA THR A 55 -9.932 -2.921 -1.346 1.00 0.00 C ATOM 814 C THR A 55 -9.985 -1.709 -0.413 1.00 0.00 C ATOM 815 O THR A 55 -10.726 -0.760 -0.664 1.00 0.00 O ATOM 816 CB THR A 55 -10.963 -3.998 -1.003 1.00 0.00 C ATOM 817 OG1 THR A 55 -10.759 -5.002 -1.994 1.00 0.00 O ATOM 818 CG2 THR A 55 -12.401 -3.529 -1.237 1.00 0.00 C ATOM 0 H THR A 55 -8.615 -4.551 -1.356 1.00 0.00 H new ATOM 0 HA THR A 55 -10.161 -2.536 -2.340 1.00 0.00 H new ATOM 0 HB THR A 55 -10.844 -4.295 0.039 1.00 0.00 H new ATOM 0 HG1 THR A 55 -10.165 -5.696 -1.639 1.00 0.00 H new ATOM 0 HG21 THR A 55 -13.092 -4.331 -0.978 1.00 0.00 H new ATOM 0 HG22 THR A 55 -12.606 -2.658 -0.614 1.00 0.00 H new ATOM 0 HG23 THR A 55 -12.531 -3.263 -2.286 1.00 0.00 H new ATOM 826 N LYS A 56 -9.191 -1.783 0.645 1.00 0.00 N ATOM 827 CA LYS A 56 -9.138 -0.704 1.617 1.00 0.00 C ATOM 828 C LYS A 56 -8.725 0.590 0.915 1.00 0.00 C ATOM 829 O LYS A 56 -9.530 1.510 0.776 1.00 0.00 O ATOM 830 CB LYS A 56 -8.231 -1.084 2.790 1.00 0.00 C ATOM 831 CG LYS A 56 -8.706 -0.424 4.086 1.00 0.00 C ATOM 832 CD LYS A 56 -8.258 1.038 4.153 1.00 0.00 C ATOM 833 CE LYS A 56 -6.733 1.148 4.084 1.00 0.00 C ATOM 834 NZ LYS A 56 -6.225 1.998 5.184 1.00 0.00 N ATOM 0 H LYS A 56 -8.579 -2.573 0.851 1.00 0.00 H new ATOM 0 HA LYS A 56 -10.124 -0.532 2.049 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -8.222 -2.167 2.911 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -7.207 -0.779 2.576 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -9.793 -0.478 4.149 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -8.310 -0.969 4.943 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -8.704 1.597 3.330 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -8.617 1.490 5.077 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -6.288 0.155 4.148 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -6.436 1.569 3.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -5.189 2.062 5.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -6.636 2.950 5.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -6.492 1.580 6.098 1.00 0.00 H new ATOM 848 N PHE A 57 -7.470 0.621 0.489 1.00 0.00 N ATOM 849 CA PHE A 57 -6.940 1.788 -0.196 1.00 0.00 C ATOM 850 C PHE A 57 -7.133 1.669 -1.709 1.00 0.00 C ATOM 851 O PHE A 57 -6.590 2.467 -2.472 1.00 0.00 O ATOM 852 CB PHE A 57 -5.443 1.846 0.112 1.00 0.00 C ATOM 853 CG PHE A 57 -4.722 0.506 -0.052 1.00 0.00 C ATOM 854 CD1 PHE A 57 -4.369 0.070 -1.291 1.00 0.00 C ATOM 855 CD2 PHE A 57 -4.434 -0.249 1.041 1.00 0.00 C ATOM 856 CE1 PHE A 57 -3.700 -1.172 -1.443 1.00 0.00 C ATOM 857 CE2 PHE A 57 -3.764 -1.493 0.890 1.00 0.00 C ATOM 858 CZ PHE A 57 -3.411 -1.927 -0.349 1.00 0.00 C ATOM 0 H PHE A 57 -6.805 -0.144 0.605 1.00 0.00 H new ATOM 0 HA PHE A 57 -7.459 2.685 0.141 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -4.976 2.581 -0.543 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -5.306 2.198 1.134 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -4.598 0.669 -2.160 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -4.715 0.097 2.025 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -3.420 -1.518 -2.427 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -3.536 -2.093 1.758 1.00 0.00 H new ATOM 0 HZ PHE A 57 -2.901 -2.872 -0.465 1.00 0.00 H new ATOM 868 N GLN A 58 -7.911 0.669 -2.098 1.00 0.00 N ATOM 869 CA GLN A 58 -8.182 0.437 -3.507 1.00 0.00 C ATOM 870 C GLN A 58 -9.443 1.190 -3.935 1.00 0.00 C ATOM 871 O GLN A 58 -9.422 1.939 -4.910 1.00 0.00 O ATOM 872 CB GLN A 58 -8.311 -1.059 -3.800 1.00 0.00 C ATOM 873 CG GLN A 58 -6.970 -1.648 -4.243 1.00 0.00 C ATOM 874 CD GLN A 58 -7.178 -2.884 -5.121 1.00 0.00 C ATOM 875 OE1 GLN A 58 -6.137 -3.179 -5.894 1.00 0.00 O flip ATOM 876 NE2 GLN A 58 -8.213 -3.528 -5.096 1.00 0.00 N flip ATOM 0 H GLN A 58 -8.362 0.011 -1.463 1.00 0.00 H new ATOM 0 HA GLN A 58 -7.341 0.817 -4.087 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -8.664 -1.579 -2.909 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -9.057 -1.218 -4.579 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -6.403 -0.897 -4.794 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -6.379 -1.915 -3.367 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -8.974 -3.246 -4.478 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -8.318 -4.349 -5.693 1.00 0.00 H new ATOM 885 N GLY A 59 -10.512 0.965 -3.185 1.00 0.00 N ATOM 886 CA GLY A 59 -11.780 1.614 -3.474 1.00 0.00 C ATOM 887 C GLY A 59 -11.645 3.136 -3.403 1.00 0.00 C ATOM 888 O GLY A 59 -12.213 3.851 -4.227 1.00 0.00 O ATOM 0 H GLY A 59 -10.526 0.342 -2.377 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -12.125 1.322 -4.466 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -12.535 1.279 -2.763 1.00 0.00 H new ATOM 892 N LEU A 60 -10.892 3.586 -2.411 1.00 0.00 N ATOM 893 CA LEU A 60 -10.677 5.011 -2.222 1.00 0.00 C ATOM 894 C LEU A 60 -9.601 5.493 -3.197 1.00 0.00 C ATOM 895 O LEU A 60 -9.365 6.694 -3.323 1.00 0.00 O ATOM 896 CB LEU A 60 -10.359 5.315 -0.756 1.00 0.00 C ATOM 897 CG LEU A 60 -9.354 6.441 -0.507 1.00 0.00 C ATOM 898 CD1 LEU A 60 -10.012 7.811 -0.682 1.00 0.00 C ATOM 899 CD2 LEU A 60 -8.695 6.294 0.865 1.00 0.00 C ATOM 0 H LEU A 60 -10.423 2.990 -1.729 1.00 0.00 H new ATOM 0 HA LEU A 60 -11.586 5.567 -2.449 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -11.290 5.567 -0.248 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -9.978 4.406 -0.291 1.00 0.00 H new ATOM 0 HG LEU A 60 -8.564 6.365 -1.254 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.276 8.594 -0.499 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -10.396 7.903 -1.698 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -10.834 7.913 0.027 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -7.985 7.107 1.017 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -9.459 6.330 1.641 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -8.170 5.340 0.916 1.00 0.00 H new ATOM 911 N GLN A 61 -8.975 4.532 -3.862 1.00 0.00 N ATOM 912 CA GLN A 61 -7.930 4.844 -4.821 1.00 0.00 C ATOM 913 C GLN A 61 -8.308 6.085 -5.633 1.00 0.00 C ATOM 914 O GLN A 61 -9.486 6.331 -5.886 1.00 0.00 O ATOM 915 CB GLN A 61 -7.656 3.651 -5.739 1.00 0.00 C ATOM 916 CG GLN A 61 -6.524 3.964 -6.720 1.00 0.00 C ATOM 917 CD GLN A 61 -5.600 2.756 -6.894 1.00 0.00 C ATOM 918 OE1 GLN A 61 -5.104 2.180 -5.940 1.00 0.00 O ATOM 919 NE2 GLN A 61 -5.398 2.408 -8.161 1.00 0.00 N ATOM 0 H GLN A 61 -9.172 3.537 -3.755 1.00 0.00 H new ATOM 0 HA GLN A 61 -7.012 5.058 -4.273 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -7.393 2.779 -5.140 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -8.561 3.397 -6.291 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -6.943 4.248 -7.685 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -5.950 4.817 -6.358 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -5.845 2.934 -8.912 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -4.796 1.615 -8.382 1.00 0.00 H new ATOM 928 N GLY A 62 -7.285 6.835 -6.017 1.00 0.00 N ATOM 929 CA GLY A 62 -7.494 8.045 -6.794 1.00 0.00 C ATOM 930 C GLY A 62 -7.398 9.289 -5.910 1.00 0.00 C ATOM 931 O GLY A 62 -7.216 10.398 -6.409 1.00 0.00 O ATOM 0 H GLY A 62 -6.309 6.628 -5.804 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.752 8.103 -7.590 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -8.473 8.009 -7.272 1.00 0.00 H new ATOM 935 N ASP A 63 -7.524 9.063 -4.609 1.00 0.00 N ATOM 936 CA ASP A 63 -7.453 10.152 -3.650 1.00 0.00 C ATOM 937 C ASP A 63 -6.407 9.818 -2.583 1.00 0.00 C ATOM 938 O ASP A 63 -6.235 10.567 -1.623 1.00 0.00 O ATOM 939 CB ASP A 63 -8.797 10.356 -2.948 1.00 0.00 C ATOM 940 CG ASP A 63 -9.148 11.812 -2.635 1.00 0.00 C ATOM 941 OD1 ASP A 63 -8.204 12.629 -2.607 1.00 0.00 O ATOM 942 OD2 ASP A 63 -10.353 12.074 -2.431 1.00 0.00 O ATOM 0 H ASP A 63 -7.675 8.142 -4.198 1.00 0.00 H new ATOM 0 HA ASP A 63 -7.187 11.061 -4.190 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -9.584 9.934 -3.573 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -8.793 9.791 -2.016 1.00 0.00 H new ATOM 947 N LEU A 64 -5.739 8.693 -2.788 1.00 0.00 N ATOM 948 CA LEU A 64 -4.715 8.251 -1.856 1.00 0.00 C ATOM 949 C LEU A 64 -3.680 7.408 -2.603 1.00 0.00 C ATOM 950 O LEU A 64 -2.478 7.625 -2.461 1.00 0.00 O ATOM 951 CB LEU A 64 -5.350 7.532 -0.664 1.00 0.00 C ATOM 952 CG LEU A 64 -4.477 6.485 0.031 1.00 0.00 C ATOM 953 CD1 LEU A 64 -3.389 7.151 0.874 1.00 0.00 C ATOM 954 CD2 LEU A 64 -5.331 5.519 0.855 1.00 0.00 C ATOM 0 H LEU A 64 -5.886 8.074 -3.585 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.186 9.107 -1.437 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.641 8.280 0.073 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.265 7.046 -1.004 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.974 5.896 -0.736 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.783 6.385 1.357 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.756 7.764 0.232 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.852 7.780 1.634 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.686 4.785 1.339 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.880 6.076 1.614 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.036 5.007 0.200 1.00 0.00 H new ATOM 966 N ILE A 65 -4.186 6.464 -3.382 1.00 0.00 N ATOM 967 CA ILE A 65 -3.319 5.586 -4.152 1.00 0.00 C ATOM 968 C ILE A 65 -3.236 6.094 -5.593 1.00 0.00 C ATOM 969 O ILE A 65 -4.258 6.248 -6.260 1.00 0.00 O ATOM 970 CB ILE A 65 -3.790 4.135 -4.039 1.00 0.00 C ATOM 971 CG1 ILE A 65 -3.880 3.700 -2.573 1.00 0.00 C ATOM 972 CG2 ILE A 65 -2.896 3.203 -4.858 1.00 0.00 C ATOM 973 CD1 ILE A 65 -2.487 3.534 -1.964 1.00 0.00 C ATOM 0 H ILE A 65 -5.184 6.287 -3.497 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.306 5.601 -3.749 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.794 4.069 -4.458 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -4.444 4.440 -2.004 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.426 2.759 -2.502 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -3.253 2.178 -4.760 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -2.926 3.499 -5.907 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -1.871 3.267 -4.492 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.580 3.225 -0.923 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -1.935 2.776 -2.520 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -1.952 4.483 -2.015 1.00 0.00 H new ATOM 985 N ASP A 66 -2.011 6.341 -6.030 1.00 0.00 N ATOM 986 CA ASP A 66 -1.781 6.829 -7.379 1.00 0.00 C ATOM 987 C ASP A 66 -1.706 5.641 -8.340 1.00 0.00 C ATOM 988 O ASP A 66 -2.160 5.731 -9.481 1.00 0.00 O ATOM 989 CB ASP A 66 -0.460 7.595 -7.470 1.00 0.00 C ATOM 990 CG ASP A 66 -0.530 8.914 -8.242 1.00 0.00 C ATOM 991 OD1 ASP A 66 -1.579 9.583 -8.129 1.00 0.00 O ATOM 992 OD2 ASP A 66 0.469 9.223 -8.930 1.00 0.00 O ATOM 0 H ASP A 66 -1.166 6.212 -5.473 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.603 7.495 -7.641 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -0.106 7.801 -6.460 1.00 0.00 H new ATOM 0 HB3 ASP A 66 0.283 6.953 -7.943 1.00 0.00 H new ATOM 997 N SER A 67 -1.130 4.555 -7.845 1.00 0.00 N ATOM 998 CA SER A 67 -0.990 3.352 -8.646 1.00 0.00 C ATOM 999 C SER A 67 -0.940 2.121 -7.737 1.00 0.00 C ATOM 1000 O SER A 67 -0.261 2.131 -6.711 1.00 0.00 O ATOM 1001 CB SER A 67 0.262 3.415 -9.522 1.00 0.00 C ATOM 1002 OG SER A 67 0.221 4.511 -10.433 1.00 0.00 O ATOM 0 H SER A 67 -0.755 4.484 -6.899 1.00 0.00 H new ATOM 0 HA SER A 67 -1.856 3.277 -9.303 1.00 0.00 H new ATOM 0 HB2 SER A 67 1.144 3.503 -8.888 1.00 0.00 H new ATOM 0 HB3 SER A 67 0.362 2.484 -10.079 1.00 0.00 H new ATOM 0 HG SER A 67 1.039 4.518 -10.973 1.00 0.00 H new ATOM 1008 N ILE A 68 -1.667 1.093 -8.147 1.00 0.00 N ATOM 1009 CA ILE A 68 -1.713 -0.142 -7.382 1.00 0.00 C ATOM 1010 C ILE A 68 -1.194 -1.293 -8.247 1.00 0.00 C ATOM 1011 O ILE A 68 -1.810 -1.646 -9.252 1.00 0.00 O ATOM 1012 CB ILE A 68 -3.120 -0.377 -6.828 1.00 0.00 C ATOM 1013 CG1 ILE A 68 -3.064 -1.076 -5.468 1.00 0.00 C ATOM 1014 CG2 ILE A 68 -3.983 -1.144 -7.831 1.00 0.00 C ATOM 1015 CD1 ILE A 68 -4.046 -0.438 -4.483 1.00 0.00 C ATOM 0 H ILE A 68 -2.229 1.089 -8.998 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.059 -0.075 -6.513 1.00 0.00 H new ATOM 0 HB ILE A 68 -3.592 0.593 -6.672 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -3.300 -2.133 -5.589 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.052 -1.019 -5.067 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -4.978 -1.298 -7.412 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -4.063 -0.571 -8.755 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -3.525 -2.110 -8.041 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.986 -0.953 -3.524 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -3.793 0.613 -4.346 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -5.060 -0.519 -4.876 1.00 0.00 H new ATOM 1027 N GLU A 69 -0.065 -1.845 -7.825 1.00 0.00 N ATOM 1028 CA GLU A 69 0.544 -2.948 -8.548 1.00 0.00 C ATOM 1029 C GLU A 69 0.472 -4.231 -7.719 1.00 0.00 C ATOM 1030 O GLU A 69 1.497 -4.744 -7.272 1.00 0.00 O ATOM 1031 CB GLU A 69 1.990 -2.622 -8.929 1.00 0.00 C ATOM 1032 CG GLU A 69 2.430 -3.427 -10.153 1.00 0.00 C ATOM 1033 CD GLU A 69 3.768 -2.918 -10.693 1.00 0.00 C ATOM 1034 OE1 GLU A 69 4.490 -2.274 -9.902 1.00 0.00 O ATOM 1035 OE2 GLU A 69 4.036 -3.185 -11.884 1.00 0.00 O ATOM 0 H GLU A 69 0.443 -1.549 -6.992 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.014 -3.104 -9.471 1.00 0.00 H new ATOM 0 HB2 GLU A 69 2.083 -1.556 -9.138 1.00 0.00 H new ATOM 0 HB3 GLU A 69 2.649 -2.841 -8.089 1.00 0.00 H new ATOM 0 HG2 GLU A 69 2.518 -4.480 -9.887 1.00 0.00 H new ATOM 0 HG3 GLU A 69 1.670 -3.357 -10.931 1.00 0.00 H new ATOM 1042 N GLU A 70 -0.748 -4.713 -7.538 1.00 0.00 N ATOM 1043 CA GLU A 70 -0.968 -5.927 -6.769 1.00 0.00 C ATOM 1044 C GLU A 70 -0.262 -7.110 -7.434 1.00 0.00 C ATOM 1045 O GLU A 70 -0.461 -7.371 -8.620 1.00 0.00 O ATOM 1046 CB GLU A 70 -2.462 -6.206 -6.598 1.00 0.00 C ATOM 1047 CG GLU A 70 -2.728 -7.705 -6.452 1.00 0.00 C ATOM 1048 CD GLU A 70 -4.212 -7.977 -6.199 1.00 0.00 C ATOM 1049 OE1 GLU A 70 -5.010 -7.051 -6.456 1.00 0.00 O ATOM 1050 OE2 GLU A 70 -4.514 -9.106 -5.755 1.00 0.00 O ATOM 0 H GLU A 70 -1.596 -4.285 -7.911 1.00 0.00 H new ATOM 0 HA GLU A 70 -0.543 -5.786 -5.775 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.835 -5.680 -5.719 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -3.008 -5.818 -7.458 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -2.408 -8.224 -7.356 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -2.136 -8.104 -5.629 1.00 0.00 H new ATOM 1057 N ASP A 71 0.549 -7.797 -6.642 1.00 0.00 N ATOM 1058 CA ASP A 71 1.285 -8.947 -7.138 1.00 0.00 C ATOM 1059 C ASP A 71 1.066 -10.132 -6.198 1.00 0.00 C ATOM 1060 O ASP A 71 1.840 -11.089 -6.207 1.00 0.00 O ATOM 1061 CB ASP A 71 2.787 -8.658 -7.193 1.00 0.00 C ATOM 1062 CG ASP A 71 3.556 -9.432 -8.265 1.00 0.00 C ATOM 1063 OD1 ASP A 71 3.523 -8.977 -9.429 1.00 0.00 O ATOM 1064 OD2 ASP A 71 4.159 -10.464 -7.896 1.00 0.00 O ATOM 0 H ASP A 71 0.712 -7.578 -5.659 1.00 0.00 H new ATOM 0 HA ASP A 71 0.924 -9.171 -8.142 1.00 0.00 H new ATOM 0 HB2 ASP A 71 2.930 -7.591 -7.364 1.00 0.00 H new ATOM 0 HB3 ASP A 71 3.221 -8.886 -6.220 1.00 0.00 H new ATOM 1069 N GLY A 72 0.007 -10.032 -5.407 1.00 0.00 N ATOM 1070 CA GLY A 72 -0.324 -11.085 -4.462 1.00 0.00 C ATOM 1071 C GLY A 72 -0.577 -12.410 -5.183 1.00 0.00 C ATOM 1072 O GLY A 72 0.177 -13.367 -5.014 1.00 0.00 O ATOM 0 H GLY A 72 -0.633 -9.238 -5.401 1.00 0.00 H new ATOM 0 HA2 GLY A 72 0.490 -11.206 -3.747 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -1.209 -10.802 -3.892 1.00 0.00 H new