USER MOD reduce.3.24.130724 H: found=0, std=0, add=506, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 505 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 13 SER OG : rot 180:sc= -0.0324 USER MOD Set 1.2: A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 5 HIS : no HD1:sc= -0.155 X(o=-0.15,f=-0.54) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.888! C(o=-0.89!,f=-4.7!) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 HIS : no HD1:sc= -2.19! K(o=-2.2!,f=-1.3) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -4.9! C(o=-4.9!,f=-7.3!) USER MOD Single : A 24 TYR OH : rot -160:sc= 0.454 USER MOD Single : A 26 SER OG : rot 180:sc= 0.0601 USER MOD Single : A 31 GLN : amide:sc= -0.116 X(o=-0.12,f=-0.34) USER MOD Single : A 32 ASN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 34 SER OG : rot 180:sc= -0.233 USER MOD Single : A 37 GLN : amide:sc= -1.46 K(o=-1.5,f=0) USER MOD Single : A 40 GLN : amide:sc= -2.08 K(o=-2.1,f=-1.2!) USER MOD Single : A 44 ASN : amide:sc=-0.00876 K(o=-0.0088,f=-1.1) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -146:sc= -0.0351 (180deg=-1.02) USER MOD Single : A 51 MET CE :methyl -145:sc= -1.53 (180deg=-3.56!) USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.0173 USER MOD Single : A 53 SER OG : rot -157:sc= 1.27 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.195 X(o=-0.2,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -144:sc= -0.13 (180deg=-1.4!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 44 N VAL A 4 10.948 -0.506 -2.136 1.00 0.00 N ATOM 45 CA VAL A 4 9.615 -1.119 -2.180 1.00 0.00 C ATOM 46 C VAL A 4 9.505 -2.220 -3.220 1.00 0.00 C ATOM 47 O VAL A 4 8.784 -3.195 -3.032 1.00 0.00 O ATOM 48 CB VAL A 4 8.486 -0.081 -2.337 1.00 0.00 C ATOM 49 CG1 VAL A 4 8.718 1.050 -1.389 1.00 0.00 C ATOM 50 CG2 VAL A 4 8.325 0.423 -3.756 1.00 0.00 C ATOM 0 HA VAL A 4 9.482 -1.590 -1.206 1.00 0.00 H new ATOM 0 HB VAL A 4 7.548 -0.581 -2.096 1.00 0.00 H new ATOM 0 HG11 VAL A 4 7.921 1.785 -1.498 1.00 0.00 H new ATOM 0 HG12 VAL A 4 8.726 0.672 -0.367 1.00 0.00 H new ATOM 0 HG13 VAL A 4 9.677 1.519 -1.610 1.00 0.00 H new ATOM 0 HG21 VAL A 4 7.514 1.150 -3.794 1.00 0.00 H new ATOM 0 HG22 VAL A 4 9.252 0.896 -4.081 1.00 0.00 H new ATOM 0 HG23 VAL A 4 8.094 -0.414 -4.415 1.00 0.00 H new ATOM 60 N HIS A 5 10.265 -2.096 -4.278 1.00 0.00 N ATOM 61 CA HIS A 5 10.276 -3.097 -5.327 1.00 0.00 C ATOM 62 C HIS A 5 10.977 -4.387 -4.852 1.00 0.00 C ATOM 63 O HIS A 5 10.869 -5.442 -5.479 1.00 0.00 O ATOM 64 CB HIS A 5 10.905 -2.535 -6.623 1.00 0.00 C ATOM 65 CG HIS A 5 12.223 -1.835 -6.441 1.00 0.00 C ATOM 66 ND1 HIS A 5 12.332 -0.482 -6.216 1.00 0.00 N ATOM 67 CD2 HIS A 5 13.486 -2.317 -6.420 1.00 0.00 C ATOM 68 CE1 HIS A 5 13.609 -0.184 -6.055 1.00 0.00 C ATOM 69 NE2 HIS A 5 14.372 -1.265 -6.172 1.00 0.00 N ATOM 0 H HIS A 5 10.891 -1.307 -4.441 1.00 0.00 H new ATOM 0 HA HIS A 5 9.244 -3.360 -5.560 1.00 0.00 H new ATOM 0 HB2 HIS A 5 11.041 -3.355 -7.328 1.00 0.00 H new ATOM 0 HB3 HIS A 5 10.201 -1.838 -7.078 1.00 0.00 H new ATOM 0 HD2 HIS A 5 13.765 -3.349 -6.571 1.00 0.00 H new ATOM 0 HE1 HIS A 5 13.984 0.809 -5.854 1.00 0.00 H new ATOM 0 HE2 HIS A 5 15.388 -1.316 -6.097 1.00 0.00 H new ATOM 77 N GLU A 6 11.665 -4.285 -3.721 1.00 0.00 N ATOM 78 CA GLU A 6 12.366 -5.409 -3.122 1.00 0.00 C ATOM 79 C GLU A 6 11.495 -6.051 -2.034 1.00 0.00 C ATOM 80 O GLU A 6 11.791 -7.156 -1.553 1.00 0.00 O ATOM 81 CB GLU A 6 13.674 -4.937 -2.490 1.00 0.00 C ATOM 82 CG GLU A 6 14.589 -4.177 -3.430 1.00 0.00 C ATOM 83 CD GLU A 6 15.830 -3.687 -2.735 1.00 0.00 C ATOM 84 OE1 GLU A 6 15.736 -2.755 -1.922 1.00 0.00 O ATOM 85 OE2 GLU A 6 16.935 -4.215 -2.994 1.00 0.00 O ATOM 0 H GLU A 6 11.751 -3.416 -3.193 1.00 0.00 H new ATOM 0 HA GLU A 6 12.579 -6.139 -3.903 1.00 0.00 H new ATOM 0 HB2 GLU A 6 13.441 -4.300 -1.636 1.00 0.00 H new ATOM 0 HB3 GLU A 6 14.210 -5.804 -2.104 1.00 0.00 H new ATOM 0 HG2 GLU A 6 14.870 -4.822 -4.262 1.00 0.00 H new ATOM 0 HG3 GLU A 6 14.051 -3.328 -3.852 1.00 0.00 H new ATOM 92 N TRP A 7 10.426 -5.358 -1.648 1.00 0.00 N ATOM 93 CA TRP A 7 9.522 -5.832 -0.606 1.00 0.00 C ATOM 94 C TRP A 7 8.785 -7.075 -1.047 1.00 0.00 C ATOM 95 O TRP A 7 8.380 -7.192 -2.211 1.00 0.00 O ATOM 96 CB TRP A 7 8.509 -4.754 -0.195 1.00 0.00 C ATOM 97 CG TRP A 7 9.093 -3.573 0.526 1.00 0.00 C ATOM 98 CD1 TRP A 7 10.368 -3.431 0.998 1.00 0.00 C ATOM 99 CD2 TRP A 7 8.398 -2.387 0.905 1.00 0.00 C ATOM 100 NE1 TRP A 7 10.508 -2.219 1.611 1.00 0.00 N ATOM 101 CE2 TRP A 7 9.318 -1.561 1.572 1.00 0.00 C ATOM 102 CE3 TRP A 7 7.090 -1.934 0.732 1.00 0.00 C ATOM 103 CZ2 TRP A 7 8.974 -0.319 2.070 1.00 0.00 C ATOM 104 CZ3 TRP A 7 6.749 -0.696 1.232 1.00 0.00 C ATOM 105 CH2 TRP A 7 7.689 0.100 1.893 1.00 0.00 C ATOM 0 H TRP A 7 10.164 -4.457 -2.047 1.00 0.00 H new ATOM 0 HA TRP A 7 10.140 -6.071 0.259 1.00 0.00 H new ATOM 0 HB2 TRP A 7 7.998 -4.398 -1.089 1.00 0.00 H new ATOM 0 HB3 TRP A 7 7.753 -5.212 0.443 1.00 0.00 H new ATOM 0 HD1 TRP A 7 11.150 -4.169 0.900 1.00 0.00 H new ATOM 0 HE1 TRP A 7 11.367 -1.864 2.031 1.00 0.00 H new ATOM 0 HE3 TRP A 7 6.360 -2.541 0.217 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 9.698 0.298 2.582 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 5.738 -0.335 1.111 1.00 0.00 H new ATOM 0 HH2 TRP A 7 7.391 1.067 2.271 1.00 0.00 H new ATOM 116 N SER A 8 8.613 -7.992 -0.131 1.00 0.00 N ATOM 117 CA SER A 8 7.962 -9.219 -0.425 1.00 0.00 C ATOM 118 C SER A 8 6.479 -9.136 -0.083 1.00 0.00 C ATOM 119 O SER A 8 5.657 -8.871 -0.937 1.00 0.00 O ATOM 120 CB SER A 8 8.632 -10.333 0.358 1.00 0.00 C ATOM 121 OG SER A 8 10.030 -10.265 0.215 1.00 0.00 O ATOM 0 H SER A 8 8.924 -7.899 0.836 1.00 0.00 H new ATOM 0 HA SER A 8 8.044 -9.427 -1.492 1.00 0.00 H new ATOM 0 HB2 SER A 8 8.364 -10.256 1.412 1.00 0.00 H new ATOM 0 HB3 SER A 8 8.271 -11.300 0.007 1.00 0.00 H new ATOM 0 HG SER A 8 10.447 -10.989 0.727 1.00 0.00 H new ATOM 127 N VAL A 9 6.167 -9.291 1.190 1.00 0.00 N ATOM 128 CA VAL A 9 4.793 -9.315 1.659 1.00 0.00 C ATOM 129 C VAL A 9 4.743 -8.571 2.973 1.00 0.00 C ATOM 130 O VAL A 9 4.114 -7.548 3.097 1.00 0.00 O ATOM 131 CB VAL A 9 4.295 -10.790 1.886 1.00 0.00 C ATOM 132 CG1 VAL A 9 2.892 -10.813 2.443 1.00 0.00 C ATOM 133 CG2 VAL A 9 4.344 -11.607 0.605 1.00 0.00 C ATOM 0 H VAL A 9 6.860 -9.404 1.930 1.00 0.00 H new ATOM 0 HA VAL A 9 4.148 -8.852 0.912 1.00 0.00 H new ATOM 0 HB VAL A 9 4.975 -11.240 2.609 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.575 -11.846 2.589 1.00 0.00 H new ATOM 0 HG12 VAL A 9 2.871 -10.288 3.398 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.215 -10.321 1.744 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.992 -12.619 0.805 1.00 0.00 H new ATOM 0 HG22 VAL A 9 3.706 -11.143 -0.147 1.00 0.00 H new ATOM 0 HG23 VAL A 9 5.369 -11.646 0.237 1.00 0.00 H new ATOM 143 N GLN A 10 5.485 -9.072 3.924 1.00 0.00 N ATOM 144 CA GLN A 10 5.567 -8.503 5.264 1.00 0.00 C ATOM 145 C GLN A 10 6.170 -7.101 5.261 1.00 0.00 C ATOM 146 O GLN A 10 5.919 -6.303 6.157 1.00 0.00 O ATOM 147 CB GLN A 10 6.335 -9.443 6.227 1.00 0.00 C ATOM 148 CG GLN A 10 7.814 -9.769 5.879 1.00 0.00 C ATOM 149 CD GLN A 10 8.020 -10.482 4.536 1.00 0.00 C ATOM 150 OE1 GLN A 10 7.151 -11.207 4.048 1.00 0.00 O ATOM 151 NE2 GLN A 10 9.152 -10.279 3.935 1.00 0.00 N ATOM 0 H GLN A 10 6.064 -9.902 3.798 1.00 0.00 H new ATOM 0 HA GLN A 10 4.545 -8.407 5.631 1.00 0.00 H new ATOM 0 HB2 GLN A 10 6.313 -8.997 7.221 1.00 0.00 H new ATOM 0 HB3 GLN A 10 5.788 -10.384 6.287 1.00 0.00 H new ATOM 0 HG2 GLN A 10 8.383 -8.840 5.871 1.00 0.00 H new ATOM 0 HG3 GLN A 10 8.230 -10.391 6.672 1.00 0.00 H new ATOM 0 HE21 GLN A 10 9.854 -9.674 4.361 1.00 0.00 H new ATOM 0 HE22 GLN A 10 9.340 -10.724 3.037 1.00 0.00 H new ATOM 160 N GLN A 11 6.938 -6.795 4.233 1.00 0.00 N ATOM 161 CA GLN A 11 7.539 -5.494 4.136 1.00 0.00 C ATOM 162 C GLN A 11 6.577 -4.435 3.587 1.00 0.00 C ATOM 163 O GLN A 11 6.780 -3.248 3.796 1.00 0.00 O ATOM 164 CB GLN A 11 8.859 -5.502 3.365 1.00 0.00 C ATOM 165 CG GLN A 11 10.026 -6.163 4.092 1.00 0.00 C ATOM 166 CD GLN A 11 11.373 -5.756 3.506 1.00 0.00 C ATOM 167 OE1 GLN A 11 11.968 -4.766 3.932 1.00 0.00 O ATOM 168 NE2 GLN A 11 11.877 -6.502 2.553 1.00 0.00 N ATOM 0 H GLN A 11 7.155 -7.428 3.463 1.00 0.00 H new ATOM 0 HA GLN A 11 7.775 -5.210 5.162 1.00 0.00 H new ATOM 0 HB2 GLN A 11 8.705 -6.015 2.415 1.00 0.00 H new ATOM 0 HB3 GLN A 11 9.132 -4.473 3.131 1.00 0.00 H new ATOM 0 HG2 GLN A 11 9.994 -5.893 5.148 1.00 0.00 H new ATOM 0 HG3 GLN A 11 9.920 -7.246 4.037 1.00 0.00 H new ATOM 0 HE21 GLN A 11 11.363 -7.317 2.218 1.00 0.00 H new ATOM 0 HE22 GLN A 11 12.783 -6.267 2.147 1.00 0.00 H new ATOM 177 N VAL A 12 5.498 -4.865 2.936 1.00 0.00 N ATOM 178 CA VAL A 12 4.530 -3.919 2.358 1.00 0.00 C ATOM 179 C VAL A 12 3.693 -3.280 3.483 1.00 0.00 C ATOM 180 O VAL A 12 3.191 -2.153 3.360 1.00 0.00 O ATOM 181 CB VAL A 12 3.586 -4.626 1.316 1.00 0.00 C ATOM 182 CG1 VAL A 12 2.401 -5.348 1.953 1.00 0.00 C ATOM 183 CG2 VAL A 12 3.132 -3.670 0.239 1.00 0.00 C ATOM 0 H VAL A 12 5.268 -5.849 2.793 1.00 0.00 H new ATOM 0 HA VAL A 12 5.086 -3.144 1.831 1.00 0.00 H new ATOM 0 HB VAL A 12 4.193 -5.402 0.850 1.00 0.00 H new ATOM 0 HG11 VAL A 12 1.795 -5.811 1.174 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.767 -6.117 2.633 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.794 -4.632 2.507 1.00 0.00 H new ATOM 0 HG21 VAL A 12 2.482 -4.194 -0.462 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.585 -2.844 0.693 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.001 -3.282 -0.293 1.00 0.00 H new ATOM 193 N SER A 13 3.601 -3.991 4.603 1.00 0.00 N ATOM 194 CA SER A 13 2.794 -3.567 5.706 1.00 0.00 C ATOM 195 C SER A 13 3.407 -2.349 6.405 1.00 0.00 C ATOM 196 O SER A 13 2.671 -1.503 6.909 1.00 0.00 O ATOM 197 CB SER A 13 2.629 -4.718 6.681 1.00 0.00 C ATOM 198 OG SER A 13 2.669 -5.973 5.981 1.00 0.00 O ATOM 0 H SER A 13 4.089 -4.874 4.756 1.00 0.00 H new ATOM 0 HA SER A 13 1.815 -3.269 5.331 1.00 0.00 H new ATOM 0 HB2 SER A 13 3.420 -4.686 7.430 1.00 0.00 H new ATOM 0 HB3 SER A 13 1.683 -4.620 7.213 1.00 0.00 H new ATOM 0 HG SER A 13 2.563 -6.708 6.621 1.00 0.00 H new ATOM 204 N HIS A 14 4.755 -2.239 6.374 1.00 0.00 N ATOM 205 CA HIS A 14 5.470 -1.125 7.047 1.00 0.00 C ATOM 206 C HIS A 14 4.986 0.203 6.507 1.00 0.00 C ATOM 207 O HIS A 14 4.799 1.166 7.258 1.00 0.00 O ATOM 208 CB HIS A 14 7.004 -1.204 6.864 1.00 0.00 C ATOM 209 CG HIS A 14 7.656 -2.462 7.356 1.00 0.00 C ATOM 210 ND1 HIS A 14 7.712 -2.845 8.673 1.00 0.00 N ATOM 211 CD2 HIS A 14 8.272 -3.436 6.663 1.00 0.00 C ATOM 212 CE1 HIS A 14 8.334 -4.018 8.740 1.00 0.00 C ATOM 213 NE2 HIS A 14 8.700 -4.428 7.537 1.00 0.00 N ATOM 0 H HIS A 14 5.367 -2.900 5.895 1.00 0.00 H new ATOM 0 HA HIS A 14 5.252 -1.213 8.111 1.00 0.00 H new ATOM 0 HB2 HIS A 14 7.231 -1.090 5.804 1.00 0.00 H new ATOM 0 HB3 HIS A 14 7.457 -0.357 7.380 1.00 0.00 H new ATOM 0 HD2 HIS A 14 8.412 -3.446 5.592 1.00 0.00 H new ATOM 0 HE1 HIS A 14 8.516 -4.563 9.654 1.00 0.00 H new ATOM 0 HE2 HIS A 14 9.192 -5.290 7.301 1.00 0.00 H new ATOM 221 N TRP A 15 4.760 0.234 5.202 1.00 0.00 N ATOM 222 CA TRP A 15 4.236 1.403 4.553 1.00 0.00 C ATOM 223 C TRP A 15 2.836 1.678 5.041 1.00 0.00 C ATOM 224 O TRP A 15 2.600 2.699 5.649 1.00 0.00 O ATOM 225 CB TRP A 15 4.282 1.263 3.020 1.00 0.00 C ATOM 226 CG TRP A 15 3.474 2.300 2.282 1.00 0.00 C ATOM 227 CD1 TRP A 15 3.720 3.638 2.188 1.00 0.00 C ATOM 228 CD2 TRP A 15 2.283 2.061 1.527 1.00 0.00 C ATOM 229 NE1 TRP A 15 2.738 4.244 1.442 1.00 0.00 N ATOM 230 CE2 TRP A 15 1.849 3.294 1.018 1.00 0.00 C ATOM 231 CE3 TRP A 15 1.540 0.921 1.240 1.00 0.00 C ATOM 232 CZ2 TRP A 15 0.701 3.413 0.239 1.00 0.00 C ATOM 233 CZ3 TRP A 15 0.410 1.046 0.466 1.00 0.00 C ATOM 234 CH2 TRP A 15 0.007 2.273 -0.019 1.00 0.00 C ATOM 0 H TRP A 15 4.937 -0.551 4.575 1.00 0.00 H new ATOM 0 HA TRP A 15 4.865 2.255 4.812 1.00 0.00 H new ATOM 0 HB2 TRP A 15 5.319 1.325 2.691 1.00 0.00 H new ATOM 0 HB3 TRP A 15 3.919 0.272 2.745 1.00 0.00 H new ATOM 0 HD1 TRP A 15 4.562 4.146 2.634 1.00 0.00 H new ATOM 0 HE1 TRP A 15 2.681 5.242 1.237 1.00 0.00 H new ATOM 0 HE3 TRP A 15 1.844 -0.044 1.618 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 0.376 4.369 -0.144 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -0.173 0.167 0.234 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -0.887 2.330 -0.622 1.00 0.00 H new ATOM 245 N LEU A 16 1.940 0.720 4.821 1.00 0.00 N ATOM 246 CA LEU A 16 0.515 0.824 5.179 1.00 0.00 C ATOM 247 C LEU A 16 0.310 1.303 6.598 1.00 0.00 C ATOM 248 O LEU A 16 -0.403 2.269 6.833 1.00 0.00 O ATOM 249 CB LEU A 16 -0.141 -0.527 5.021 1.00 0.00 C ATOM 250 CG LEU A 16 -0.283 -1.050 3.598 1.00 0.00 C ATOM 251 CD1 LEU A 16 -0.548 -2.522 3.617 1.00 0.00 C ATOM 252 CD2 LEU A 16 -1.431 -0.352 2.895 1.00 0.00 C ATOM 0 H LEU A 16 2.181 -0.169 4.382 1.00 0.00 H new ATOM 0 HA LEU A 16 0.065 1.558 4.510 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.432 -1.254 5.596 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.134 -0.479 5.468 1.00 0.00 H new ATOM 0 HG LEU A 16 0.646 -0.851 3.064 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.648 -2.887 2.595 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.281 -3.035 4.106 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.470 -2.719 4.164 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.522 -0.735 1.879 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.358 -0.539 3.438 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.240 0.721 2.863 1.00 0.00 H new ATOM 264 N VAL A 17 0.969 0.667 7.532 1.00 0.00 N ATOM 265 CA VAL A 17 0.820 1.003 8.932 1.00 0.00 C ATOM 266 C VAL A 17 1.373 2.423 9.213 1.00 0.00 C ATOM 267 O VAL A 17 0.947 3.094 10.146 1.00 0.00 O ATOM 268 CB VAL A 17 1.541 -0.041 9.814 1.00 0.00 C ATOM 269 CG1 VAL A 17 1.369 0.258 11.288 1.00 0.00 C ATOM 270 CG2 VAL A 17 1.057 -1.450 9.512 1.00 0.00 C ATOM 0 H VAL A 17 1.622 -0.095 7.349 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.242 0.993 9.179 1.00 0.00 H new ATOM 0 HB VAL A 17 2.602 0.022 9.573 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.890 -0.498 11.876 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.784 1.241 11.511 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.309 0.247 11.540 1.00 0.00 H new ATOM 0 HG21 VAL A 17 1.584 -2.160 10.149 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -0.014 -1.516 9.704 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.254 -1.686 8.466 1.00 0.00 H new ATOM 280 N GLY A 18 2.232 2.903 8.329 1.00 0.00 N ATOM 281 CA GLY A 18 2.858 4.186 8.507 1.00 0.00 C ATOM 282 C GLY A 18 1.906 5.306 8.179 1.00 0.00 C ATOM 283 O GLY A 18 1.989 6.383 8.756 1.00 0.00 O ATOM 0 H GLY A 18 2.508 2.413 7.478 1.00 0.00 H new ATOM 0 HA2 GLY A 18 3.201 4.287 9.537 1.00 0.00 H new ATOM 0 HA3 GLY A 18 3.739 4.255 7.869 1.00 0.00 H new ATOM 287 N LEU A 19 0.986 5.054 7.258 1.00 0.00 N ATOM 288 CA LEU A 19 -0.024 6.052 6.910 1.00 0.00 C ATOM 289 C LEU A 19 -1.359 5.716 7.568 1.00 0.00 C ATOM 290 O LEU A 19 -2.383 6.281 7.216 1.00 0.00 O ATOM 291 CB LEU A 19 -0.221 6.231 5.378 1.00 0.00 C ATOM 292 CG LEU A 19 -0.581 5.005 4.547 1.00 0.00 C ATOM 293 CD1 LEU A 19 -1.313 5.414 3.309 1.00 0.00 C ATOM 294 CD2 LEU A 19 0.644 4.284 4.131 1.00 0.00 C ATOM 0 H LEU A 19 0.915 4.177 6.741 1.00 0.00 H new ATOM 0 HA LEU A 19 0.351 7.002 7.291 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.003 6.975 5.228 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.700 6.650 4.971 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.208 4.360 5.163 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.564 4.528 2.725 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.228 5.938 3.584 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.681 6.074 2.714 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.369 3.411 3.539 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.270 4.946 3.533 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.195 3.963 5.015 1.00 0.00 H new ATOM 306 N SER A 20 -1.318 4.801 8.538 1.00 0.00 N ATOM 307 CA SER A 20 -2.504 4.353 9.277 1.00 0.00 C ATOM 308 C SER A 20 -3.506 3.617 8.377 1.00 0.00 C ATOM 309 O SER A 20 -4.703 3.701 8.557 1.00 0.00 O ATOM 310 CB SER A 20 -3.152 5.515 10.039 1.00 0.00 C ATOM 311 OG SER A 20 -2.218 6.077 10.964 1.00 0.00 O ATOM 0 H SER A 20 -0.456 4.346 8.836 1.00 0.00 H new ATOM 0 HA SER A 20 -2.171 3.625 10.017 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.485 6.279 9.337 1.00 0.00 H new ATOM 0 HB3 SER A 20 -4.036 5.163 10.571 1.00 0.00 H new ATOM 0 HG SER A 20 -2.640 6.819 11.445 1.00 0.00 H new ATOM 317 N LEU A 21 -2.954 2.846 7.466 1.00 0.00 N ATOM 318 CA LEU A 21 -3.632 1.985 6.529 1.00 0.00 C ATOM 319 C LEU A 21 -3.363 0.544 6.939 1.00 0.00 C ATOM 320 O LEU A 21 -3.461 -0.365 6.129 1.00 0.00 O ATOM 321 CB LEU A 21 -3.088 2.232 5.106 1.00 0.00 C ATOM 322 CG LEU A 21 -3.810 3.259 4.196 1.00 0.00 C ATOM 323 CD1 LEU A 21 -4.953 2.607 3.470 1.00 0.00 C ATOM 324 CD2 LEU A 21 -4.326 4.464 4.977 1.00 0.00 C ATOM 0 H LEU A 21 -1.941 2.804 7.355 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.703 2.188 6.532 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.049 2.548 5.201 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.083 1.275 4.584 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.072 3.616 3.478 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.448 3.342 2.836 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.575 1.792 2.853 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.666 2.213 4.194 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.823 5.154 4.295 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.034 4.130 5.736 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.490 4.970 5.459 1.00 0.00 H new ATOM 336 N ASP A 22 -3.016 0.348 8.225 1.00 0.00 N ATOM 337 CA ASP A 22 -2.773 -0.988 8.805 1.00 0.00 C ATOM 338 C ASP A 22 -3.941 -1.954 8.571 1.00 0.00 C ATOM 339 O ASP A 22 -3.739 -3.159 8.469 1.00 0.00 O ATOM 340 CB ASP A 22 -2.417 -0.921 10.306 1.00 0.00 C ATOM 341 CG ASP A 22 -3.497 -0.335 11.187 1.00 0.00 C ATOM 342 OD1 ASP A 22 -4.426 -1.063 11.585 1.00 0.00 O ATOM 343 OD2 ASP A 22 -3.415 0.861 11.523 1.00 0.00 O ATOM 0 H ASP A 22 -2.896 1.111 8.892 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.907 -1.384 8.274 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -2.188 -1.927 10.656 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.510 -0.328 10.424 1.00 0.00 H new ATOM 348 N GLN A 23 -5.140 -1.414 8.442 1.00 0.00 N ATOM 349 CA GLN A 23 -6.342 -2.197 8.122 1.00 0.00 C ATOM 350 C GLN A 23 -6.298 -2.802 6.719 1.00 0.00 C ATOM 351 O GLN A 23 -7.034 -3.734 6.401 1.00 0.00 O ATOM 352 CB GLN A 23 -7.626 -1.374 8.304 1.00 0.00 C ATOM 353 CG GLN A 23 -7.674 -0.028 7.619 1.00 0.00 C ATOM 354 CD GLN A 23 -6.858 0.983 8.338 1.00 0.00 C ATOM 355 OE1 GLN A 23 -6.680 0.923 9.541 1.00 0.00 O ATOM 356 NE2 GLN A 23 -6.358 1.884 7.640 1.00 0.00 N ATOM 0 H GLN A 23 -5.318 -0.416 8.555 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.355 -3.021 8.835 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -8.465 -1.969 7.943 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -7.781 -1.218 9.372 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -7.312 -0.127 6.596 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -8.707 0.314 7.560 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -6.528 1.904 6.634 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -5.778 2.603 8.074 1.00 0.00 H new ATOM 365 N TYR A 24 -5.446 -2.272 5.889 1.00 0.00 N ATOM 366 CA TYR A 24 -5.287 -2.774 4.556 1.00 0.00 C ATOM 367 C TYR A 24 -4.273 -3.901 4.511 1.00 0.00 C ATOM 368 O TYR A 24 -4.311 -4.731 3.607 1.00 0.00 O ATOM 369 CB TYR A 24 -4.925 -1.650 3.595 1.00 0.00 C ATOM 370 CG TYR A 24 -6.093 -1.138 2.774 1.00 0.00 C ATOM 371 CD1 TYR A 24 -7.037 -0.265 3.295 1.00 0.00 C ATOM 372 CD2 TYR A 24 -6.243 -1.545 1.466 1.00 0.00 C ATOM 373 CE1 TYR A 24 -8.094 0.182 2.514 1.00 0.00 C ATOM 374 CE2 TYR A 24 -7.286 -1.107 0.682 1.00 0.00 C ATOM 375 CZ TYR A 24 -8.207 -0.248 1.201 1.00 0.00 C ATOM 376 OH TYR A 24 -9.269 0.168 0.407 1.00 0.00 O ATOM 0 H TYR A 24 -4.843 -1.481 6.117 1.00 0.00 H new ATOM 0 HA TYR A 24 -6.242 -3.189 4.233 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -4.504 -0.821 4.164 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -4.146 -2.001 2.919 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -6.949 0.070 4.318 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -5.521 -2.228 1.044 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -8.825 0.861 2.927 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -7.374 -1.443 -0.341 1.00 0.00 H new ATOM 0 HH TYR A 24 -9.380 -0.454 -0.342 1.00 0.00 H new ATOM 386 N VAL A 25 -3.398 -3.956 5.518 1.00 0.00 N ATOM 387 CA VAL A 25 -2.362 -5.015 5.618 1.00 0.00 C ATOM 388 C VAL A 25 -3.003 -6.396 5.627 1.00 0.00 C ATOM 389 O VAL A 25 -2.504 -7.324 4.981 1.00 0.00 O ATOM 390 CB VAL A 25 -1.447 -4.873 6.880 1.00 0.00 C ATOM 391 CG1 VAL A 25 -0.449 -6.001 6.956 1.00 0.00 C ATOM 392 CG2 VAL A 25 -0.752 -3.535 6.898 1.00 0.00 C ATOM 0 H VAL A 25 -3.378 -3.282 6.283 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.731 -4.893 4.738 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.085 -4.931 7.762 1.00 0.00 H new ATOM 0 HG11 VAL A 25 0.173 -5.877 7.842 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -0.978 -6.952 7.015 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.180 -5.990 6.066 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.123 -3.464 7.785 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -0.134 -3.434 6.006 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.496 -2.739 6.916 1.00 0.00 H new ATOM 402 N SER A 26 -4.139 -6.485 6.299 1.00 0.00 N ATOM 403 CA SER A 26 -4.911 -7.699 6.460 1.00 0.00 C ATOM 404 C SER A 26 -5.148 -8.411 5.118 1.00 0.00 C ATOM 405 O SER A 26 -5.123 -9.648 5.032 1.00 0.00 O ATOM 406 CB SER A 26 -6.239 -7.294 7.057 1.00 0.00 C ATOM 407 OG SER A 26 -6.022 -6.413 8.152 1.00 0.00 O ATOM 0 H SER A 26 -4.562 -5.681 6.764 1.00 0.00 H new ATOM 0 HA SER A 26 -4.369 -8.397 7.099 1.00 0.00 H new ATOM 0 HB2 SER A 26 -6.855 -6.806 6.302 1.00 0.00 H new ATOM 0 HB3 SER A 26 -6.784 -8.177 7.391 1.00 0.00 H new ATOM 0 HG SER A 26 -6.884 -6.150 8.536 1.00 0.00 H new ATOM 413 N GLU A 27 -5.348 -7.634 4.082 1.00 0.00 N ATOM 414 CA GLU A 27 -5.610 -8.181 2.789 1.00 0.00 C ATOM 415 C GLU A 27 -4.384 -8.018 1.877 1.00 0.00 C ATOM 416 O GLU A 27 -4.104 -8.891 1.070 1.00 0.00 O ATOM 417 CB GLU A 27 -6.845 -7.523 2.207 1.00 0.00 C ATOM 418 CG GLU A 27 -7.340 -8.116 0.905 1.00 0.00 C ATOM 419 CD GLU A 27 -7.742 -9.552 0.995 1.00 0.00 C ATOM 420 OE1 GLU A 27 -8.593 -9.902 1.847 1.00 0.00 O ATOM 421 OE2 GLU A 27 -7.274 -10.349 0.171 1.00 0.00 O ATOM 0 H GLU A 27 -5.333 -6.615 4.118 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.803 -9.251 2.873 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.648 -7.580 2.942 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -6.633 -6.466 2.048 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -8.193 -7.534 0.555 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -6.557 -8.017 0.154 1.00 0.00 H new ATOM 428 N PHE A 28 -3.635 -6.913 2.046 1.00 0.00 N ATOM 429 CA PHE A 28 -2.403 -6.654 1.270 1.00 0.00 C ATOM 430 C PHE A 28 -1.450 -7.832 1.362 1.00 0.00 C ATOM 431 O PHE A 28 -0.982 -8.360 0.350 1.00 0.00 O ATOM 432 CB PHE A 28 -1.691 -5.398 1.785 1.00 0.00 C ATOM 433 CG PHE A 28 -1.827 -4.168 0.919 1.00 0.00 C ATOM 434 CD1 PHE A 28 -3.033 -3.515 0.786 1.00 0.00 C ATOM 435 CD2 PHE A 28 -0.724 -3.658 0.249 1.00 0.00 C ATOM 436 CE1 PHE A 28 -3.139 -2.380 -0.002 1.00 0.00 C ATOM 437 CE2 PHE A 28 -0.829 -2.526 -0.530 1.00 0.00 C ATOM 438 CZ PHE A 28 -2.040 -1.892 -0.654 1.00 0.00 C ATOM 0 H PHE A 28 -3.862 -6.179 2.717 1.00 0.00 H new ATOM 0 HA PHE A 28 -2.695 -6.505 0.231 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -2.076 -5.165 2.778 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -0.631 -5.624 1.899 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -3.904 -3.891 1.301 1.00 0.00 H new ATOM 0 HD2 PHE A 28 0.230 -4.155 0.339 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -4.091 -1.880 -0.102 1.00 0.00 H new ATOM 0 HE2 PHE A 28 0.040 -2.139 -1.042 1.00 0.00 H new ATOM 0 HZ PHE A 28 -2.125 -1.007 -1.267 1.00 0.00 H new ATOM 448 N SER A 29 -1.237 -8.292 2.566 1.00 0.00 N ATOM 449 CA SER A 29 -0.326 -9.370 2.798 1.00 0.00 C ATOM 450 C SER A 29 -0.943 -10.718 2.405 1.00 0.00 C ATOM 451 O SER A 29 -0.239 -11.657 2.074 1.00 0.00 O ATOM 452 CB SER A 29 0.147 -9.343 4.254 1.00 0.00 C ATOM 453 OG SER A 29 0.811 -8.100 4.528 1.00 0.00 O ATOM 0 H SER A 29 -1.689 -7.930 3.406 1.00 0.00 H new ATOM 0 HA SER A 29 0.549 -9.241 2.160 1.00 0.00 H new ATOM 0 HB2 SER A 29 -0.704 -9.467 4.924 1.00 0.00 H new ATOM 0 HB3 SER A 29 0.824 -10.176 4.441 1.00 0.00 H new ATOM 0 HG SER A 29 1.110 -8.088 5.461 1.00 0.00 H new ATOM 459 N ALA A 30 -2.261 -10.768 2.347 1.00 0.00 N ATOM 460 CA ALA A 30 -2.960 -11.995 2.027 1.00 0.00 C ATOM 461 C ALA A 30 -2.832 -12.334 0.549 1.00 0.00 C ATOM 462 O ALA A 30 -2.793 -13.504 0.172 1.00 0.00 O ATOM 463 CB ALA A 30 -4.416 -11.905 2.436 1.00 0.00 C ATOM 0 H ALA A 30 -2.870 -9.968 2.519 1.00 0.00 H new ATOM 0 HA ALA A 30 -2.495 -12.802 2.593 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -4.922 -12.837 2.186 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -4.482 -11.732 3.510 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -4.893 -11.080 1.906 1.00 0.00 H new ATOM 469 N GLN A 31 -2.746 -11.314 -0.292 1.00 0.00 N ATOM 470 CA GLN A 31 -2.618 -11.566 -1.735 1.00 0.00 C ATOM 471 C GLN A 31 -1.181 -11.442 -2.207 1.00 0.00 C ATOM 472 O GLN A 31 -0.914 -11.517 -3.412 1.00 0.00 O ATOM 473 CB GLN A 31 -3.523 -10.670 -2.594 1.00 0.00 C ATOM 474 CG GLN A 31 -4.478 -9.781 -1.840 1.00 0.00 C ATOM 475 CD GLN A 31 -5.466 -9.079 -2.756 1.00 0.00 C ATOM 476 OE1 GLN A 31 -5.171 -8.785 -3.926 1.00 0.00 O ATOM 477 NE2 GLN A 31 -6.643 -8.843 -2.257 1.00 0.00 N ATOM 0 H GLN A 31 -2.761 -10.331 -0.021 1.00 0.00 H new ATOM 0 HA GLN A 31 -2.951 -12.595 -1.872 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -2.890 -10.041 -3.220 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -4.102 -11.307 -3.263 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -5.025 -10.378 -1.110 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -3.912 -9.035 -1.282 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -6.848 -9.099 -1.291 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -7.361 -8.402 -2.831 1.00 0.00 H new ATOM 486 N ASN A 32 -0.260 -11.289 -1.251 1.00 0.00 N ATOM 487 CA ASN A 32 1.186 -11.150 -1.521 1.00 0.00 C ATOM 488 C ASN A 32 1.470 -9.862 -2.277 1.00 0.00 C ATOM 489 O ASN A 32 2.347 -9.819 -3.147 1.00 0.00 O ATOM 490 CB ASN A 32 1.767 -12.354 -2.309 1.00 0.00 C ATOM 491 CG ASN A 32 1.574 -13.699 -1.632 1.00 0.00 C ATOM 492 OD1 ASN A 32 2.381 -14.123 -0.800 1.00 0.00 O ATOM 493 ND2 ASN A 32 0.533 -14.398 -2.006 1.00 0.00 N ATOM 0 H ASN A 32 -0.492 -11.257 -0.258 1.00 0.00 H new ATOM 0 HA ASN A 32 1.679 -11.123 -0.549 1.00 0.00 H new ATOM 0 HB2 ASN A 32 1.301 -12.387 -3.294 1.00 0.00 H new ATOM 0 HB3 ASN A 32 2.833 -12.190 -2.466 1.00 0.00 H new ATOM 0 HD21 ASN A 32 0.370 -15.323 -1.607 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -0.115 -14.018 -2.696 1.00 0.00 H new ATOM 500 N ILE A 33 0.739 -8.815 -1.943 1.00 0.00 N ATOM 501 CA ILE A 33 0.937 -7.525 -2.567 1.00 0.00 C ATOM 502 C ILE A 33 2.280 -6.965 -2.115 1.00 0.00 C ATOM 503 O ILE A 33 2.518 -6.796 -0.928 1.00 0.00 O ATOM 504 CB ILE A 33 -0.195 -6.519 -2.187 1.00 0.00 C ATOM 505 CG1 ILE A 33 -1.573 -7.016 -2.659 1.00 0.00 C ATOM 506 CG2 ILE A 33 0.092 -5.129 -2.747 1.00 0.00 C ATOM 507 CD1 ILE A 33 -1.718 -7.145 -4.162 1.00 0.00 C ATOM 0 H ILE A 33 0.000 -8.835 -1.240 1.00 0.00 H new ATOM 0 HA ILE A 33 0.915 -7.659 -3.649 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.216 -6.452 -1.099 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.770 -7.987 -2.204 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.337 -6.331 -2.291 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.713 -4.450 -2.466 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.035 -4.761 -2.342 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.160 -5.181 -3.834 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.720 -7.501 -4.402 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.557 -6.173 -4.628 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.981 -7.854 -4.539 1.00 0.00 H new ATOM 519 N SER A 34 3.150 -6.742 -3.047 1.00 0.00 N ATOM 520 CA SER A 34 4.433 -6.204 -2.768 1.00 0.00 C ATOM 521 C SER A 34 4.485 -4.748 -3.223 1.00 0.00 C ATOM 522 O SER A 34 3.469 -4.187 -3.684 1.00 0.00 O ATOM 523 CB SER A 34 5.453 -7.018 -3.536 1.00 0.00 C ATOM 524 OG SER A 34 5.138 -7.006 -4.930 1.00 0.00 O ATOM 0 H SER A 34 2.983 -6.933 -4.035 1.00 0.00 H new ATOM 0 HA SER A 34 4.643 -6.244 -1.699 1.00 0.00 H new ATOM 0 HB2 SER A 34 6.451 -6.610 -3.377 1.00 0.00 H new ATOM 0 HB3 SER A 34 5.465 -8.043 -3.166 1.00 0.00 H new ATOM 0 HG SER A 34 5.803 -7.533 -5.420 1.00 0.00 H new ATOM 530 N GLY A 35 5.679 -4.161 -3.169 1.00 0.00 N ATOM 531 CA GLY A 35 5.886 -2.799 -3.612 1.00 0.00 C ATOM 532 C GLY A 35 5.636 -2.664 -5.095 1.00 0.00 C ATOM 533 O GLY A 35 5.300 -1.590 -5.586 1.00 0.00 O ATOM 0 H GLY A 35 6.520 -4.619 -2.818 1.00 0.00 H new ATOM 0 HA2 GLY A 35 5.220 -2.131 -3.066 1.00 0.00 H new ATOM 0 HA3 GLY A 35 6.906 -2.490 -3.383 1.00 0.00 H new ATOM 537 N GLU A 36 5.752 -3.784 -5.791 1.00 0.00 N ATOM 538 CA GLU A 36 5.507 -3.873 -7.210 1.00 0.00 C ATOM 539 C GLU A 36 4.072 -3.470 -7.511 1.00 0.00 C ATOM 540 O GLU A 36 3.808 -2.686 -8.418 1.00 0.00 O ATOM 541 CB GLU A 36 5.738 -5.306 -7.659 1.00 0.00 C ATOM 542 CG GLU A 36 5.528 -5.556 -9.138 1.00 0.00 C ATOM 543 CD GLU A 36 5.749 -6.993 -9.488 1.00 0.00 C ATOM 544 OE1 GLU A 36 6.913 -7.386 -9.686 1.00 0.00 O ATOM 545 OE2 GLU A 36 4.780 -7.759 -9.547 1.00 0.00 O ATOM 0 H GLU A 36 6.025 -4.672 -5.370 1.00 0.00 H new ATOM 0 HA GLU A 36 6.182 -3.203 -7.742 1.00 0.00 H new ATOM 0 HB2 GLU A 36 6.757 -5.592 -7.399 1.00 0.00 H new ATOM 0 HB3 GLU A 36 5.070 -5.959 -7.097 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.516 -5.264 -9.417 1.00 0.00 H new ATOM 0 HG3 GLU A 36 6.210 -4.931 -9.714 1.00 0.00 H new ATOM 552 N GLN A 37 3.148 -3.966 -6.709 1.00 0.00 N ATOM 553 CA GLN A 37 1.745 -3.676 -6.950 1.00 0.00 C ATOM 554 C GLN A 37 1.415 -2.331 -6.318 1.00 0.00 C ATOM 555 O GLN A 37 0.525 -1.629 -6.770 1.00 0.00 O ATOM 556 CB GLN A 37 0.801 -4.724 -6.329 1.00 0.00 C ATOM 557 CG GLN A 37 1.392 -6.102 -5.973 1.00 0.00 C ATOM 558 CD GLN A 37 1.754 -7.034 -7.135 1.00 0.00 C ATOM 559 OE1 GLN A 37 1.693 -8.254 -6.989 1.00 0.00 O ATOM 560 NE2 GLN A 37 2.129 -6.508 -8.257 1.00 0.00 N ATOM 0 H GLN A 37 3.336 -4.560 -5.901 1.00 0.00 H new ATOM 0 HA GLN A 37 1.595 -3.680 -8.030 1.00 0.00 H new ATOM 0 HB2 GLN A 37 0.377 -4.296 -5.420 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -0.025 -4.883 -7.022 1.00 0.00 H new ATOM 0 HG2 GLN A 37 2.291 -5.940 -5.378 1.00 0.00 H new ATOM 0 HG3 GLN A 37 0.677 -6.621 -5.335 1.00 0.00 H new ATOM 0 HE21 GLN A 37 2.172 -5.494 -8.356 1.00 0.00 H new ATOM 0 HE22 GLN A 37 2.381 -7.108 -9.042 1.00 0.00 H new ATOM 569 N LEU A 38 2.189 -1.997 -5.294 1.00 0.00 N ATOM 570 CA LEU A 38 2.002 -0.819 -4.452 1.00 0.00 C ATOM 571 C LEU A 38 2.151 0.471 -5.279 1.00 0.00 C ATOM 572 O LEU A 38 1.293 1.341 -5.260 1.00 0.00 O ATOM 573 CB LEU A 38 3.069 -0.874 -3.335 1.00 0.00 C ATOM 574 CG LEU A 38 2.816 -0.136 -2.021 1.00 0.00 C ATOM 575 CD1 LEU A 38 3.952 -0.414 -1.067 1.00 0.00 C ATOM 576 CD2 LEU A 38 2.696 1.347 -2.217 1.00 0.00 C ATOM 0 H LEU A 38 2.994 -2.558 -5.015 1.00 0.00 H new ATOM 0 HA LEU A 38 1.000 -0.814 -4.024 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.237 -1.924 -3.094 1.00 0.00 H new ATOM 0 HB3 LEU A 38 4.000 -0.490 -3.752 1.00 0.00 H new ATOM 0 HG LEU A 38 1.871 -0.498 -1.617 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.775 0.111 -0.128 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.014 -1.486 -0.878 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.888 -0.068 -1.505 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.517 1.828 -1.255 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.619 1.733 -2.649 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.865 1.559 -2.889 1.00 0.00 H new ATOM 588 N LEU A 39 3.227 0.557 -6.018 1.00 0.00 N ATOM 589 CA LEU A 39 3.553 1.740 -6.822 1.00 0.00 C ATOM 590 C LEU A 39 2.515 2.002 -7.906 1.00 0.00 C ATOM 591 O LEU A 39 2.259 3.156 -8.286 1.00 0.00 O ATOM 592 CB LEU A 39 4.904 1.527 -7.463 1.00 0.00 C ATOM 593 CG LEU A 39 6.060 1.358 -6.499 1.00 0.00 C ATOM 594 CD1 LEU A 39 7.245 0.758 -7.223 1.00 0.00 C ATOM 595 CD2 LEU A 39 6.421 2.707 -5.873 1.00 0.00 C ATOM 0 H LEU A 39 3.917 -0.191 -6.089 1.00 0.00 H new ATOM 0 HA LEU A 39 3.563 2.609 -6.164 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.851 0.643 -8.099 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.117 2.375 -8.114 1.00 0.00 H new ATOM 0 HG LEU A 39 5.769 0.680 -5.697 1.00 0.00 H new ATOM 0 HD11 LEU A 39 8.075 0.638 -6.526 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.969 -0.215 -7.629 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.547 1.418 -8.036 1.00 0.00 H new ATOM 0 HD21 LEU A 39 7.253 2.576 -5.181 1.00 0.00 H new ATOM 0 HD22 LEU A 39 6.708 3.407 -6.658 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.559 3.100 -5.334 1.00 0.00 H new ATOM 607 N GLN A 40 1.934 0.950 -8.390 1.00 0.00 N ATOM 608 CA GLN A 40 0.969 1.052 -9.472 1.00 0.00 C ATOM 609 C GLN A 40 -0.494 0.904 -8.980 1.00 0.00 C ATOM 610 O GLN A 40 -1.419 0.753 -9.792 1.00 0.00 O ATOM 611 CB GLN A 40 1.345 0.055 -10.603 1.00 0.00 C ATOM 612 CG GLN A 40 1.261 -1.417 -10.229 1.00 0.00 C ATOM 613 CD GLN A 40 -0.095 -2.016 -10.514 1.00 0.00 C ATOM 614 OE1 GLN A 40 -0.773 -1.643 -11.469 1.00 0.00 O ATOM 615 NE2 GLN A 40 -0.531 -2.887 -9.672 1.00 0.00 N ATOM 0 H GLN A 40 2.103 -0.000 -8.060 1.00 0.00 H new ATOM 0 HA GLN A 40 1.016 2.058 -9.888 1.00 0.00 H new ATOM 0 HB2 GLN A 40 0.689 0.234 -11.455 1.00 0.00 H new ATOM 0 HB3 GLN A 40 2.361 0.271 -10.932 1.00 0.00 H new ATOM 0 HG2 GLN A 40 2.021 -1.971 -10.780 1.00 0.00 H new ATOM 0 HG3 GLN A 40 1.488 -1.532 -9.169 1.00 0.00 H new ATOM 0 HE21 GLN A 40 0.055 -3.177 -8.889 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -1.462 -3.287 -9.788 1.00 0.00 H new ATOM 624 N LEU A 41 -0.693 0.980 -7.655 1.00 0.00 N ATOM 625 CA LEU A 41 -2.021 0.907 -7.040 1.00 0.00 C ATOM 626 C LEU A 41 -2.997 1.907 -7.620 1.00 0.00 C ATOM 627 O LEU A 41 -2.629 3.024 -7.981 1.00 0.00 O ATOM 628 CB LEU A 41 -1.949 1.133 -5.546 1.00 0.00 C ATOM 629 CG LEU A 41 -1.447 -0.016 -4.705 1.00 0.00 C ATOM 630 CD1 LEU A 41 -1.291 0.456 -3.304 1.00 0.00 C ATOM 631 CD2 LEU A 41 -2.420 -1.182 -4.733 1.00 0.00 C ATOM 0 H LEU A 41 0.065 1.094 -6.982 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.382 -0.099 -7.256 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.305 1.994 -5.364 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -2.946 1.400 -5.195 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.494 -0.357 -5.108 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.929 -0.363 -2.682 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.576 1.278 -3.274 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.254 0.799 -2.926 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.032 -1.995 -4.119 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.385 -0.860 -4.342 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.542 -1.529 -5.759 1.00 0.00 H new ATOM 643 N ASP A 42 -4.229 1.498 -7.684 1.00 0.00 N ATOM 644 CA ASP A 42 -5.325 2.296 -8.183 1.00 0.00 C ATOM 645 C ASP A 42 -6.506 1.965 -7.308 1.00 0.00 C ATOM 646 O ASP A 42 -6.411 0.995 -6.530 1.00 0.00 O ATOM 647 CB ASP A 42 -5.632 1.920 -9.658 1.00 0.00 C ATOM 648 CG ASP A 42 -6.805 2.692 -10.244 1.00 0.00 C ATOM 649 OD1 ASP A 42 -6.612 3.851 -10.680 1.00 0.00 O ATOM 650 OD2 ASP A 42 -7.944 2.184 -10.203 1.00 0.00 O ATOM 0 H ASP A 42 -4.516 0.567 -7.381 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.091 3.360 -8.158 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -4.745 2.104 -10.265 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -5.843 0.852 -9.717 1.00 0.00 H new ATOM 655 N GLY A 43 -7.599 2.730 -7.409 1.00 0.00 N ATOM 656 CA GLY A 43 -8.809 2.441 -6.667 1.00 0.00 C ATOM 657 C GLY A 43 -9.252 1.044 -6.917 1.00 0.00 C ATOM 658 O GLY A 43 -9.684 0.387 -6.002 1.00 0.00 O ATOM 0 H GLY A 43 -7.660 3.556 -8.004 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.633 2.588 -5.601 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.596 3.136 -6.959 1.00 0.00 H new ATOM 662 N ASN A 44 -9.063 0.577 -8.161 1.00 0.00 N ATOM 663 CA ASN A 44 -9.416 -0.785 -8.576 1.00 0.00 C ATOM 664 C ASN A 44 -8.836 -1.790 -7.614 1.00 0.00 C ATOM 665 O ASN A 44 -9.534 -2.645 -7.073 1.00 0.00 O ATOM 666 CB ASN A 44 -8.815 -1.109 -9.927 1.00 0.00 C ATOM 667 CG ASN A 44 -9.419 -2.364 -10.520 1.00 0.00 C ATOM 668 OD1 ASN A 44 -10.575 -2.698 -10.270 1.00 0.00 O ATOM 669 ND2 ASN A 44 -8.659 -3.061 -11.283 1.00 0.00 N ATOM 0 H ASN A 44 -8.658 1.139 -8.910 1.00 0.00 H new ATOM 0 HA ASN A 44 -10.504 -0.836 -8.606 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -8.974 -0.272 -10.607 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -7.737 -1.236 -9.825 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -9.010 -3.922 -11.703 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -7.704 -2.754 -11.469 1.00 0.00 H new ATOM 676 N LYS A 45 -7.548 -1.645 -7.375 1.00 0.00 N ATOM 677 CA LYS A 45 -6.834 -2.544 -6.524 1.00 0.00 C ATOM 678 C LYS A 45 -7.289 -2.386 -5.099 1.00 0.00 C ATOM 679 O LYS A 45 -7.498 -3.349 -4.418 1.00 0.00 O ATOM 680 CB LYS A 45 -5.332 -2.338 -6.632 1.00 0.00 C ATOM 681 CG LYS A 45 -4.823 -2.271 -8.059 1.00 0.00 C ATOM 682 CD LYS A 45 -3.371 -2.729 -8.166 1.00 0.00 C ATOM 683 CE LYS A 45 -3.152 -4.166 -7.657 1.00 0.00 C ATOM 684 NZ LYS A 45 -3.896 -5.178 -8.433 1.00 0.00 N ATOM 0 H LYS A 45 -6.977 -0.898 -7.770 1.00 0.00 H new ATOM 0 HA LYS A 45 -7.052 -3.560 -6.852 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.064 -1.416 -6.117 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.825 -3.152 -6.113 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.449 -2.895 -8.698 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.910 -1.249 -8.428 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -3.052 -2.666 -9.206 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -2.738 -2.048 -7.597 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -2.088 -4.399 -7.694 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -3.455 -4.224 -6.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -3.707 -6.123 -8.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -4.915 -4.978 -8.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -3.590 -5.147 -9.427 1.00 0.00 H new ATOM 698 N LEU A 46 -7.520 -1.150 -4.693 1.00 0.00 N ATOM 699 CA LEU A 46 -7.985 -0.825 -3.339 1.00 0.00 C ATOM 700 C LEU A 46 -9.366 -1.437 -3.077 1.00 0.00 C ATOM 701 O LEU A 46 -9.765 -1.677 -1.913 1.00 0.00 O ATOM 702 CB LEU A 46 -8.036 0.685 -3.178 1.00 0.00 C ATOM 703 CG LEU A 46 -6.703 1.418 -3.398 1.00 0.00 C ATOM 704 CD1 LEU A 46 -6.884 2.927 -3.345 1.00 0.00 C ATOM 705 CD2 LEU A 46 -5.653 0.963 -2.390 1.00 0.00 C ATOM 0 H LEU A 46 -7.392 -0.333 -5.290 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.290 -1.245 -2.612 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -8.770 1.083 -3.879 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.396 0.914 -2.175 1.00 0.00 H new ATOM 0 HG LEU A 46 -6.349 1.160 -4.396 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.922 3.415 -3.504 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -7.581 3.237 -4.123 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.278 3.212 -2.370 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.720 1.498 -2.569 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -6.003 1.173 -1.380 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.484 -0.108 -2.500 1.00 0.00 H new ATOM 717 N LYS A 47 -10.090 -1.667 -4.157 1.00 0.00 N ATOM 718 CA LYS A 47 -11.375 -2.321 -4.128 1.00 0.00 C ATOM 719 C LYS A 47 -11.161 -3.829 -4.031 1.00 0.00 C ATOM 720 O LYS A 47 -11.889 -4.529 -3.335 1.00 0.00 O ATOM 721 CB LYS A 47 -12.179 -1.977 -5.396 1.00 0.00 C ATOM 722 CG LYS A 47 -12.454 -0.490 -5.555 1.00 0.00 C ATOM 723 CD LYS A 47 -12.826 -0.061 -6.990 1.00 0.00 C ATOM 724 CE LYS A 47 -14.220 -0.524 -7.447 1.00 0.00 C ATOM 725 NZ LYS A 47 -14.278 -1.962 -7.805 1.00 0.00 N ATOM 0 H LYS A 47 -9.791 -1.397 -5.094 1.00 0.00 H new ATOM 0 HA LYS A 47 -11.940 -1.976 -3.262 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -11.634 -2.333 -6.270 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -13.128 -2.513 -5.372 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -13.265 -0.209 -4.883 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -11.571 0.066 -5.240 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -12.777 1.026 -7.056 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -12.080 -0.456 -7.680 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -14.939 -0.327 -6.652 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -14.527 0.069 -8.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -14.952 -2.099 -8.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -13.335 -2.284 -8.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -14.588 -2.513 -6.979 1.00 0.00 H new ATOM 739 N ALA A 48 -10.118 -4.300 -4.689 1.00 0.00 N ATOM 740 CA ALA A 48 -9.747 -5.716 -4.714 1.00 0.00 C ATOM 741 C ALA A 48 -9.162 -6.170 -3.370 1.00 0.00 C ATOM 742 O ALA A 48 -8.931 -7.358 -3.145 1.00 0.00 O ATOM 743 CB ALA A 48 -8.773 -5.996 -5.853 1.00 0.00 C ATOM 0 H ALA A 48 -9.491 -3.706 -5.232 1.00 0.00 H new ATOM 0 HA ALA A 48 -10.655 -6.294 -4.887 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -8.509 -7.054 -5.855 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -9.240 -5.737 -6.803 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -7.872 -5.398 -5.717 1.00 0.00 H new ATOM 749 N LEU A 49 -8.903 -5.216 -2.481 1.00 0.00 N ATOM 750 CA LEU A 49 -8.499 -5.548 -1.135 1.00 0.00 C ATOM 751 C LEU A 49 -9.738 -5.771 -0.270 1.00 0.00 C ATOM 752 O LEU A 49 -9.640 -6.083 0.904 1.00 0.00 O ATOM 753 CB LEU A 49 -7.587 -4.480 -0.479 1.00 0.00 C ATOM 754 CG LEU A 49 -6.064 -4.456 -0.831 1.00 0.00 C ATOM 755 CD1 LEU A 49 -5.410 -5.809 -0.766 1.00 0.00 C ATOM 756 CD2 LEU A 49 -5.754 -3.775 -2.127 1.00 0.00 C ATOM 0 H LEU A 49 -8.967 -4.216 -2.674 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.906 -6.460 -1.203 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.997 -3.501 -0.728 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -7.672 -4.595 0.602 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.624 -3.848 -0.040 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.355 -5.716 -1.022 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.504 -6.211 0.243 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.896 -6.482 -1.472 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.678 -3.799 -2.302 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -6.265 -4.290 -2.940 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -6.092 -2.740 -2.084 1.00 0.00 H new ATOM 768 N GLY A 50 -10.908 -5.537 -0.854 1.00 0.00 N ATOM 769 CA GLY A 50 -12.176 -5.771 -0.177 1.00 0.00 C ATOM 770 C GLY A 50 -12.462 -4.803 0.954 1.00 0.00 C ATOM 771 O GLY A 50 -13.499 -4.899 1.610 1.00 0.00 O ATOM 0 H GLY A 50 -11.003 -5.182 -1.805 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -12.983 -5.708 -0.907 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -12.183 -6.787 0.218 1.00 0.00 H new ATOM 775 N MET A 51 -11.556 -3.880 1.197 1.00 0.00 N ATOM 776 CA MET A 51 -11.770 -2.909 2.253 1.00 0.00 C ATOM 777 C MET A 51 -12.599 -1.781 1.704 1.00 0.00 C ATOM 778 O MET A 51 -13.511 -1.313 2.359 1.00 0.00 O ATOM 779 CB MET A 51 -10.461 -2.391 2.822 1.00 0.00 C ATOM 780 CG MET A 51 -10.589 -1.504 4.088 1.00 0.00 C ATOM 781 SD MET A 51 -10.851 -2.391 5.673 1.00 0.00 S ATOM 782 CE MET A 51 -12.502 -3.097 5.523 1.00 0.00 C ATOM 0 H MET A 51 -10.678 -3.780 0.688 1.00 0.00 H new ATOM 0 HA MET A 51 -12.295 -3.393 3.077 1.00 0.00 H new ATOM 0 HB2 MET A 51 -9.825 -3.244 3.060 1.00 0.00 H new ATOM 0 HB3 MET A 51 -9.950 -1.818 2.048 1.00 0.00 H new ATOM 0 HG2 MET A 51 -9.685 -0.902 4.177 1.00 0.00 H new ATOM 0 HG3 MET A 51 -11.419 -0.813 3.940 1.00 0.00 H new ATOM 0 HE1 MET A 51 -12.992 -3.086 6.497 1.00 0.00 H new ATOM 0 HE2 MET A 51 -13.087 -2.508 4.816 1.00 0.00 H new ATOM 0 HE3 MET A 51 -12.427 -4.124 5.166 1.00 0.00 H new ATOM 792 N THR A 52 -12.238 -1.350 0.479 1.00 0.00 N ATOM 793 CA THR A 52 -12.980 -0.368 -0.346 1.00 0.00 C ATOM 794 C THR A 52 -13.353 0.939 0.396 1.00 0.00 C ATOM 795 O THR A 52 -14.220 1.681 -0.048 1.00 0.00 O ATOM 796 CB THR A 52 -14.265 -1.030 -0.942 1.00 0.00 C ATOM 797 OG1 THR A 52 -15.177 -1.427 0.086 1.00 0.00 O ATOM 798 CG2 THR A 52 -13.905 -2.253 -1.755 1.00 0.00 C ATOM 0 H THR A 52 -11.392 -1.686 0.018 1.00 0.00 H new ATOM 0 HA THR A 52 -12.297 -0.074 -1.142 1.00 0.00 H new ATOM 0 HB THR A 52 -14.741 -0.282 -1.576 1.00 0.00 H new ATOM 0 HG1 THR A 52 -15.970 -1.836 -0.320 1.00 0.00 H new ATOM 0 HG21 THR A 52 -14.812 -2.700 -2.161 1.00 0.00 H new ATOM 0 HG22 THR A 52 -13.245 -1.965 -2.573 1.00 0.00 H new ATOM 0 HG23 THR A 52 -13.398 -2.977 -1.118 1.00 0.00 H new ATOM 806 N SER A 53 -12.658 1.235 1.454 1.00 0.00 N ATOM 807 CA SER A 53 -12.978 2.368 2.304 1.00 0.00 C ATOM 808 C SER A 53 -12.613 3.687 1.631 1.00 0.00 C ATOM 809 O SER A 53 -11.460 3.904 1.275 1.00 0.00 O ATOM 810 CB SER A 53 -12.268 2.210 3.646 1.00 0.00 C ATOM 811 OG SER A 53 -12.405 3.358 4.467 1.00 0.00 O ATOM 0 H SER A 53 -11.846 0.700 1.763 1.00 0.00 H new ATOM 0 HA SER A 53 -14.054 2.390 2.476 1.00 0.00 H new ATOM 0 HB2 SER A 53 -12.672 1.343 4.168 1.00 0.00 H new ATOM 0 HB3 SER A 53 -11.210 2.014 3.474 1.00 0.00 H new ATOM 0 HG SER A 53 -11.676 3.381 5.122 1.00 0.00 H new ATOM 817 N SER A 54 -13.599 4.560 1.464 1.00 0.00 N ATOM 818 CA SER A 54 -13.398 5.842 0.819 1.00 0.00 C ATOM 819 C SER A 54 -12.434 6.736 1.607 1.00 0.00 C ATOM 820 O SER A 54 -11.731 7.565 1.018 1.00 0.00 O ATOM 821 CB SER A 54 -14.739 6.536 0.579 1.00 0.00 C ATOM 822 OG SER A 54 -15.572 5.722 -0.233 1.00 0.00 O ATOM 0 H SER A 54 -14.557 4.395 1.773 1.00 0.00 H new ATOM 0 HA SER A 54 -12.931 5.658 -0.149 1.00 0.00 H new ATOM 0 HB2 SER A 54 -15.230 6.735 1.532 1.00 0.00 H new ATOM 0 HB3 SER A 54 -14.577 7.500 0.096 1.00 0.00 H new ATOM 0 HG SER A 54 -16.429 6.174 -0.379 1.00 0.00 H new ATOM 828 N GLN A 55 -12.382 6.560 2.927 1.00 0.00 N ATOM 829 CA GLN A 55 -11.444 7.311 3.753 1.00 0.00 C ATOM 830 C GLN A 55 -10.044 6.897 3.395 1.00 0.00 C ATOM 831 O GLN A 55 -9.204 7.722 3.029 1.00 0.00 O ATOM 832 CB GLN A 55 -11.694 7.060 5.247 1.00 0.00 C ATOM 833 CG GLN A 55 -10.643 7.695 6.164 1.00 0.00 C ATOM 834 CD GLN A 55 -9.855 6.663 6.957 1.00 0.00 C ATOM 835 OE1 GLN A 55 -10.230 6.306 8.071 1.00 0.00 O ATOM 836 NE2 GLN A 55 -8.764 6.177 6.397 1.00 0.00 N ATOM 0 H GLN A 55 -12.974 5.909 3.442 1.00 0.00 H new ATOM 0 HA GLN A 55 -11.584 8.376 3.565 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -12.677 7.449 5.512 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -11.718 5.985 5.427 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -9.954 8.289 5.563 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -11.135 8.379 6.855 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -8.481 6.496 5.470 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -8.203 5.483 6.891 1.00 0.00 H new ATOM 845 N ASP A 56 -9.818 5.610 3.469 1.00 0.00 N ATOM 846 CA ASP A 56 -8.532 5.025 3.182 1.00 0.00 C ATOM 847 C ASP A 56 -8.140 5.308 1.762 1.00 0.00 C ATOM 848 O ASP A 56 -7.041 5.768 1.518 1.00 0.00 O ATOM 849 CB ASP A 56 -8.539 3.517 3.437 1.00 0.00 C ATOM 850 CG ASP A 56 -8.762 3.148 4.890 1.00 0.00 C ATOM 851 OD1 ASP A 56 -9.927 3.186 5.354 1.00 0.00 O ATOM 852 OD2 ASP A 56 -7.791 2.829 5.586 1.00 0.00 O ATOM 0 H ASP A 56 -10.531 4.930 3.734 1.00 0.00 H new ATOM 0 HA ASP A 56 -7.800 5.476 3.851 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -9.320 3.058 2.830 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -7.589 3.097 3.106 1.00 0.00 H new ATOM 857 N ARG A 57 -9.080 5.118 0.829 1.00 0.00 N ATOM 858 CA ARG A 57 -8.814 5.334 -0.595 1.00 0.00 C ATOM 859 C ARG A 57 -8.474 6.771 -0.934 1.00 0.00 C ATOM 860 O ARG A 57 -7.962 7.026 -1.997 1.00 0.00 O ATOM 861 CB ARG A 57 -9.938 4.860 -1.518 1.00 0.00 C ATOM 862 CG ARG A 57 -10.238 3.380 -1.465 1.00 0.00 C ATOM 863 CD ARG A 57 -10.702 2.867 -2.821 1.00 0.00 C ATOM 864 NE ARG A 57 -11.782 3.666 -3.426 1.00 0.00 N ATOM 865 CZ ARG A 57 -12.973 3.197 -3.832 1.00 0.00 C ATOM 866 NH1 ARG A 57 -13.357 1.958 -3.519 1.00 0.00 N ATOM 867 NH2 ARG A 57 -13.781 3.979 -4.527 1.00 0.00 N ATOM 0 H ARG A 57 -10.032 4.815 1.036 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.938 4.712 -0.779 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -10.847 5.407 -1.267 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -9.680 5.125 -2.543 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -9.347 2.836 -1.152 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -11.007 3.188 -0.717 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -9.851 2.850 -3.502 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -11.043 1.838 -2.711 1.00 0.00 H new ATOM 0 HE ARG A 57 -11.610 4.664 -3.547 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -12.744 1.358 -2.967 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -14.264 1.611 -3.832 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -13.499 4.933 -4.752 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -14.687 3.628 -4.838 1.00 0.00 H new ATOM 881 N ALA A 58 -8.782 7.703 -0.061 1.00 0.00 N ATOM 882 CA ALA A 58 -8.432 9.098 -0.306 1.00 0.00 C ATOM 883 C ALA A 58 -7.055 9.410 0.277 1.00 0.00 C ATOM 884 O ALA A 58 -6.426 10.424 -0.060 1.00 0.00 O ATOM 885 CB ALA A 58 -9.481 10.027 0.280 1.00 0.00 C ATOM 0 H ALA A 58 -9.269 7.531 0.819 1.00 0.00 H new ATOM 0 HA ALA A 58 -8.398 9.260 -1.383 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -9.200 11.062 0.086 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -10.447 9.821 -0.180 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -9.550 9.866 1.356 1.00 0.00 H new ATOM 891 N LEU A 59 -6.581 8.531 1.138 1.00 0.00 N ATOM 892 CA LEU A 59 -5.305 8.724 1.788 1.00 0.00 C ATOM 893 C LEU A 59 -4.223 7.893 1.128 1.00 0.00 C ATOM 894 O LEU A 59 -3.149 8.400 0.797 1.00 0.00 O ATOM 895 CB LEU A 59 -5.375 8.375 3.264 1.00 0.00 C ATOM 896 CG LEU A 59 -4.072 8.622 4.020 1.00 0.00 C ATOM 897 CD1 LEU A 59 -3.608 10.056 3.848 1.00 0.00 C ATOM 898 CD2 LEU A 59 -4.215 8.291 5.471 1.00 0.00 C ATOM 0 H LEU A 59 -7.065 7.673 1.403 1.00 0.00 H new ATOM 0 HA LEU A 59 -5.056 9.780 1.687 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.169 8.959 3.728 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.650 7.325 3.367 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.316 7.962 3.595 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.678 10.206 4.396 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.443 10.260 2.790 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.370 10.734 4.234 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.270 8.478 5.982 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.994 8.913 5.911 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.485 7.241 5.580 1.00 0.00 H new ATOM 910 N VAL A 60 -4.503 6.621 0.923 1.00 0.00 N ATOM 911 CA VAL A 60 -3.556 5.715 0.280 1.00 0.00 C ATOM 912 C VAL A 60 -3.239 6.207 -1.136 1.00 0.00 C ATOM 913 O VAL A 60 -2.141 6.058 -1.633 1.00 0.00 O ATOM 914 CB VAL A 60 -4.104 4.254 0.211 1.00 0.00 C ATOM 915 CG1 VAL A 60 -5.439 4.206 -0.498 1.00 0.00 C ATOM 916 CG2 VAL A 60 -3.123 3.391 -0.508 1.00 0.00 C ATOM 0 H VAL A 60 -5.384 6.184 1.193 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.649 5.708 0.884 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.245 3.889 1.228 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.796 3.177 -0.531 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -6.159 4.823 0.040 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.325 4.584 -1.514 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -3.504 2.371 -0.557 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.975 3.772 -1.518 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.172 3.398 0.025 1.00 0.00 H new ATOM 926 N LYS A 61 -4.174 6.926 -1.671 1.00 0.00 N ATOM 927 CA LYS A 61 -4.164 7.373 -3.042 1.00 0.00 C ATOM 928 C LYS A 61 -3.130 8.441 -3.217 1.00 0.00 C ATOM 929 O LYS A 61 -2.460 8.526 -4.242 1.00 0.00 O ATOM 930 CB LYS A 61 -5.530 7.929 -3.371 1.00 0.00 C ATOM 931 CG LYS A 61 -5.744 8.373 -4.794 1.00 0.00 C ATOM 932 CD LYS A 61 -5.627 7.231 -5.789 1.00 0.00 C ATOM 933 CE LYS A 61 -6.111 7.712 -7.125 1.00 0.00 C ATOM 934 NZ LYS A 61 -6.040 6.699 -8.186 1.00 0.00 N ATOM 0 H LYS A 61 -4.998 7.233 -1.153 1.00 0.00 H new ATOM 0 HA LYS A 61 -3.927 6.542 -3.706 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.275 7.169 -3.134 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.721 8.778 -2.715 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.730 8.828 -4.884 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -5.014 9.143 -5.044 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -4.593 6.895 -5.860 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -6.218 6.377 -5.457 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -7.143 8.048 -7.026 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -5.521 8.578 -7.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -6.391 7.105 -9.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -5.053 6.394 -8.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -6.626 5.880 -7.924 1.00 0.00 H new ATOM 948 N LYS A 62 -2.970 9.215 -2.191 1.00 0.00 N ATOM 949 CA LYS A 62 -2.054 10.296 -2.241 1.00 0.00 C ATOM 950 C LYS A 62 -0.697 9.787 -1.822 1.00 0.00 C ATOM 951 O LYS A 62 0.330 10.228 -2.325 1.00 0.00 O ATOM 952 CB LYS A 62 -2.525 11.454 -1.349 1.00 0.00 C ATOM 953 CG LYS A 62 -2.326 11.256 0.143 1.00 0.00 C ATOM 954 CD LYS A 62 -2.756 12.466 0.939 1.00 0.00 C ATOM 955 CE LYS A 62 -1.913 13.685 0.617 1.00 0.00 C ATOM 956 NZ LYS A 62 -2.225 14.812 1.503 1.00 0.00 N ATOM 0 H LYS A 62 -3.467 9.113 -1.306 1.00 0.00 H new ATOM 0 HA LYS A 62 -1.993 10.689 -3.256 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.998 12.359 -1.651 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -3.585 11.625 -1.536 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.894 10.386 0.472 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.276 11.045 0.343 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -3.803 12.684 0.731 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -2.682 12.245 2.004 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -0.857 13.431 0.709 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -2.081 13.980 -0.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -1.629 15.626 1.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -3.227 15.070 1.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -2.041 14.539 2.490 1.00 0.00 H new ATOM 970 N LYS A 63 -0.712 8.811 -0.936 1.00 0.00 N ATOM 971 CA LYS A 63 0.485 8.252 -0.423 1.00 0.00 C ATOM 972 C LYS A 63 1.190 7.431 -1.477 1.00 0.00 C ATOM 973 O LYS A 63 2.361 7.571 -1.653 1.00 0.00 O ATOM 974 CB LYS A 63 0.198 7.389 0.773 1.00 0.00 C ATOM 975 CG LYS A 63 1.240 7.552 1.861 1.00 0.00 C ATOM 976 CD LYS A 63 1.158 8.929 2.522 1.00 0.00 C ATOM 977 CE LYS A 63 -0.143 9.128 3.318 1.00 0.00 C ATOM 978 NZ LYS A 63 -0.099 10.401 4.095 1.00 0.00 N ATOM 0 H LYS A 63 -1.565 8.395 -0.562 1.00 0.00 H new ATOM 0 HA LYS A 63 1.133 9.076 -0.123 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.784 7.640 1.173 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.159 6.344 0.464 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.102 6.778 2.616 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.234 7.411 1.437 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.011 9.059 3.189 1.00 0.00 H new ATOM 0 HD3 LYS A 63 1.232 9.701 1.756 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.993 9.142 2.636 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.292 8.288 3.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -0.585 10.269 5.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.891 10.669 4.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -0.573 11.153 3.556 1.00 0.00 H new ATOM 992 N LEU A 64 0.446 6.608 -2.199 1.00 0.00 N ATOM 993 CA LEU A 64 1.016 5.707 -3.210 1.00 0.00 C ATOM 994 C LEU A 64 1.768 6.475 -4.298 1.00 0.00 C ATOM 995 O LEU A 64 2.771 6.000 -4.830 1.00 0.00 O ATOM 996 CB LEU A 64 -0.083 4.775 -3.806 1.00 0.00 C ATOM 997 CG LEU A 64 -1.155 5.392 -4.747 1.00 0.00 C ATOM 998 CD1 LEU A 64 -0.665 5.472 -6.193 1.00 0.00 C ATOM 999 CD2 LEU A 64 -2.462 4.618 -4.667 1.00 0.00 C ATOM 0 H LEU A 64 -0.568 6.540 -2.107 1.00 0.00 H new ATOM 0 HA LEU A 64 1.751 5.074 -2.714 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.421 3.980 -4.355 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.606 4.305 -2.973 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.335 6.411 -4.404 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.444 5.909 -6.818 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.229 6.094 -6.240 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.430 4.471 -6.554 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.195 5.071 -5.335 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -2.291 3.583 -4.964 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -2.838 4.644 -3.644 1.00 0.00 H new ATOM 1011 N LYS A 65 1.316 7.677 -4.584 1.00 0.00 N ATOM 1012 CA LYS A 65 1.932 8.467 -5.640 1.00 0.00 C ATOM 1013 C LYS A 65 3.107 9.311 -5.157 1.00 0.00 C ATOM 1014 O LYS A 65 3.775 9.961 -5.952 1.00 0.00 O ATOM 1015 CB LYS A 65 0.907 9.290 -6.429 1.00 0.00 C ATOM 1016 CG LYS A 65 -0.007 10.166 -5.593 1.00 0.00 C ATOM 1017 CD LYS A 65 -0.959 10.948 -6.491 1.00 0.00 C ATOM 1018 CE LYS A 65 -2.011 11.702 -5.693 1.00 0.00 C ATOM 1019 NZ LYS A 65 -2.910 12.486 -6.567 1.00 0.00 N ATOM 0 H LYS A 65 0.534 8.129 -4.110 1.00 0.00 H new ATOM 0 HA LYS A 65 2.356 7.744 -6.337 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.442 9.924 -7.136 1.00 0.00 H new ATOM 0 HB3 LYS A 65 0.292 8.607 -7.015 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -0.577 9.549 -4.898 1.00 0.00 H new ATOM 0 HG3 LYS A 65 0.587 10.856 -4.994 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -0.389 11.654 -7.095 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -1.451 10.262 -7.181 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -2.599 10.995 -5.109 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -1.520 12.370 -4.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -3.612 12.985 -5.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -2.353 13.179 -7.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -3.398 11.846 -7.226 1.00 0.00 H new ATOM 1033 N GLU A 66 3.356 9.311 -3.869 1.00 0.00 N ATOM 1034 CA GLU A 66 4.531 9.991 -3.350 1.00 0.00 C ATOM 1035 C GLU A 66 5.442 8.988 -2.667 1.00 0.00 C ATOM 1036 O GLU A 66 6.606 9.264 -2.429 1.00 0.00 O ATOM 1037 CB GLU A 66 4.171 11.098 -2.356 1.00 0.00 C ATOM 1038 CG GLU A 66 3.467 10.596 -1.113 1.00 0.00 C ATOM 1039 CD GLU A 66 3.394 11.640 -0.030 1.00 0.00 C ATOM 1040 OE1 GLU A 66 2.427 12.419 0.002 1.00 0.00 O ATOM 1041 OE2 GLU A 66 4.315 11.704 0.816 1.00 0.00 O ATOM 0 H GLU A 66 2.774 8.857 -3.166 1.00 0.00 H new ATOM 0 HA GLU A 66 5.037 10.454 -4.197 1.00 0.00 H new ATOM 0 HB2 GLU A 66 5.082 11.619 -2.061 1.00 0.00 H new ATOM 0 HB3 GLU A 66 3.533 11.828 -2.854 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.458 10.277 -1.375 1.00 0.00 H new ATOM 0 HG3 GLU A 66 3.990 9.718 -0.733 1.00 0.00 H new