USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 695 hydrogens (21 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 3 HIS : no HD1:sc= -6.38! C(o=-7!,f=-20!) USER MOD Set 1.2: A 81 THR OG1 : rot -136:sc= -0.666 USER MOD Set 2.1: A 68 SER OG : rot 180:sc= 1.06 USER MOD Set 2.2: A 71 SER OG : rot 98:sc= 1.18 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -164:sc= -0.0345 (180deg=-0.317) USER MOD Single : A 2 GLN : amide:sc= -8.55! C(o=-8.5!,f=-12!) USER MOD Single : A 5 SER OG : rot 180:sc= -0.153 USER MOD Single : A 9 GLN : amide:sc= -0.0815 X(o=-0.081,f=0) USER MOD Single : A 33 ASN :FLIP amide:sc= -9.69! C(o=-10!,f=-9.7!) USER MOD Single : A 43 LYS NZ :NH3+ -164:sc= -0.453 (180deg=-0.868) USER MOD Single : A 62 SER OG : rot 180:sc= -0.216 USER MOD Single : A 65 HIS : no HD1:sc= -1.17 X(o=-1.2,f=-1.6) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ -163:sc= 0.931 (180deg=0.0987) USER MOD Single : A 89 GLN : amide:sc=-0.000768 K(o=-0.00077,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.363 15.596 4.336 1.00 0.00 N ATOM 2 CA MET A 1 -0.619 14.136 4.180 1.00 0.00 C ATOM 3 C MET A 1 -1.908 13.760 4.909 1.00 0.00 C ATOM 4 O MET A 1 -1.938 13.632 6.117 1.00 0.00 O ATOM 5 CB MET A 1 0.551 13.347 4.768 1.00 0.00 C ATOM 6 CG MET A 1 1.785 13.550 3.891 1.00 0.00 C ATOM 7 SD MET A 1 3.170 12.600 4.565 1.00 0.00 S ATOM 8 CE MET A 1 4.429 13.177 3.401 1.00 0.00 C ATOM 0 H1 MET A 1 0.341 15.902 3.635 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.248 16.121 4.189 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.003 15.785 5.293 1.00 0.00 H new ATOM 0 HA MET A 1 -0.721 13.898 3.121 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.755 13.680 5.786 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.300 12.288 4.823 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.575 13.231 2.870 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.043 14.608 3.848 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.384 12.708 3.636 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.135 12.912 2.386 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.528 14.260 3.479 1.00 0.00 H new ATOM 20 N GLN A 2 -2.972 13.578 4.181 1.00 0.00 N ATOM 21 CA GLN A 2 -4.263 13.206 4.825 1.00 0.00 C ATOM 22 C GLN A 2 -4.064 11.935 5.655 1.00 0.00 C ATOM 23 O GLN A 2 -4.583 11.805 6.745 1.00 0.00 O ATOM 24 CB GLN A 2 -5.313 12.955 3.739 1.00 0.00 C ATOM 25 CG GLN A 2 -6.684 12.755 4.385 1.00 0.00 C ATOM 26 CD GLN A 2 -7.748 12.617 3.294 1.00 0.00 C ATOM 27 OE1 GLN A 2 -7.463 12.792 2.126 1.00 0.00 O ATOM 28 NE2 GLN A 2 -8.971 12.310 3.628 1.00 0.00 N ATOM 0 H GLN A 2 -3.005 13.671 3.166 1.00 0.00 H new ATOM 0 HA GLN A 2 -4.600 14.013 5.475 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -5.345 13.798 3.049 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -5.043 12.075 3.155 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -6.675 11.865 5.014 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -6.919 13.600 5.032 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -9.210 12.163 4.609 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -9.688 12.217 2.909 1.00 0.00 H new ATOM 37 N HIS A 3 -3.303 11.005 5.146 1.00 0.00 N ATOM 38 CA HIS A 3 -3.048 9.740 5.894 1.00 0.00 C ATOM 39 C HIS A 3 -1.879 9.005 5.238 1.00 0.00 C ATOM 40 O HIS A 3 -1.758 7.800 5.328 1.00 0.00 O ATOM 41 CB HIS A 3 -4.294 8.849 5.854 1.00 0.00 C ATOM 42 CG HIS A 3 -5.321 9.371 6.821 1.00 0.00 C ATOM 43 ND1 HIS A 3 -6.486 9.996 6.400 1.00 0.00 N ATOM 44 CD2 HIS A 3 -5.372 9.369 8.194 1.00 0.00 C ATOM 45 CE1 HIS A 3 -7.182 10.341 7.499 1.00 0.00 C ATOM 46 NE2 HIS A 3 -6.546 9.981 8.615 1.00 0.00 N ATOM 0 H HIS A 3 -2.843 11.067 4.238 1.00 0.00 H new ATOM 0 HA HIS A 3 -2.810 9.972 6.932 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -4.707 8.829 4.845 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -4.028 7.823 6.109 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -4.616 8.956 8.845 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -8.136 10.846 7.480 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -6.857 10.125 9.576 1.00 0.00 H new ATOM 55 N ALA A 4 -1.022 9.727 4.570 1.00 0.00 N ATOM 56 CA ALA A 4 0.137 9.081 3.893 1.00 0.00 C ATOM 57 C ALA A 4 1.024 8.379 4.922 1.00 0.00 C ATOM 58 O ALA A 4 1.634 7.368 4.636 1.00 0.00 O ATOM 59 CB ALA A 4 0.955 10.148 3.163 1.00 0.00 C ATOM 0 H ALA A 4 -1.075 10.740 4.464 1.00 0.00 H new ATOM 0 HA ALA A 4 -0.232 8.344 3.180 1.00 0.00 H new ATOM 0 HB1 ALA A 4 1.804 9.679 2.666 1.00 0.00 H new ATOM 0 HB2 ALA A 4 0.328 10.642 2.421 1.00 0.00 H new ATOM 0 HB3 ALA A 4 1.316 10.884 3.881 1.00 0.00 H new ATOM 65 N SER A 5 1.116 8.905 6.113 1.00 0.00 N ATOM 66 CA SER A 5 1.982 8.255 7.136 1.00 0.00 C ATOM 67 C SER A 5 1.486 6.836 7.409 1.00 0.00 C ATOM 68 O SER A 5 2.264 5.907 7.507 1.00 0.00 O ATOM 69 CB SER A 5 1.947 9.069 8.429 1.00 0.00 C ATOM 70 OG SER A 5 0.652 8.973 9.009 1.00 0.00 O ATOM 0 H SER A 5 0.633 9.750 6.420 1.00 0.00 H new ATOM 0 HA SER A 5 3.005 8.211 6.764 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.699 8.699 9.126 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.190 10.111 8.223 1.00 0.00 H new ATOM 0 HG SER A 5 0.626 9.493 9.840 1.00 0.00 H new ATOM 76 N VAL A 6 0.201 6.651 7.514 1.00 0.00 N ATOM 77 CA VAL A 6 -0.326 5.280 7.760 1.00 0.00 C ATOM 78 C VAL A 6 -0.081 4.435 6.517 1.00 0.00 C ATOM 79 O VAL A 6 0.265 3.278 6.598 1.00 0.00 O ATOM 80 CB VAL A 6 -1.825 5.337 8.046 1.00 0.00 C ATOM 81 CG1 VAL A 6 -2.399 3.917 8.048 1.00 0.00 C ATOM 82 CG2 VAL A 6 -2.059 5.983 9.414 1.00 0.00 C ATOM 0 H VAL A 6 -0.504 7.384 7.441 1.00 0.00 H new ATOM 0 HA VAL A 6 0.180 4.843 8.621 1.00 0.00 H new ATOM 0 HB VAL A 6 -2.320 5.928 7.275 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -3.469 3.957 8.252 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -2.232 3.456 7.074 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -1.905 3.326 8.819 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -3.129 6.024 9.619 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -1.564 5.392 10.185 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -1.651 6.994 9.414 1.00 0.00 H new ATOM 92 N ILE A 7 -0.262 5.013 5.365 1.00 0.00 N ATOM 93 CA ILE A 7 -0.043 4.257 4.103 1.00 0.00 C ATOM 94 C ILE A 7 1.402 3.762 4.043 1.00 0.00 C ATOM 95 O ILE A 7 1.660 2.601 3.794 1.00 0.00 O ATOM 96 CB ILE A 7 -0.331 5.178 2.921 1.00 0.00 C ATOM 97 CG1 ILE A 7 -1.804 5.591 2.966 1.00 0.00 C ATOM 98 CG2 ILE A 7 -0.040 4.443 1.611 1.00 0.00 C ATOM 99 CD1 ILE A 7 -2.077 6.655 1.904 1.00 0.00 C ATOM 0 H ILE A 7 -0.554 5.983 5.242 1.00 0.00 H new ATOM 0 HA ILE A 7 -0.709 3.395 4.065 1.00 0.00 H new ATOM 0 HB ILE A 7 0.303 6.063 2.978 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.440 4.722 2.795 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.052 5.978 3.954 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -0.247 5.104 0.769 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.007 4.142 1.587 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.673 3.558 1.542 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -3.127 6.945 1.941 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -1.453 7.528 2.095 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -1.846 6.252 0.918 1.00 0.00 H new ATOM 111 N ALA A 8 2.349 4.626 4.284 1.00 0.00 N ATOM 112 CA ALA A 8 3.772 4.188 4.254 1.00 0.00 C ATOM 113 C ALA A 8 3.984 3.157 5.358 1.00 0.00 C ATOM 114 O ALA A 8 4.585 2.122 5.157 1.00 0.00 O ATOM 115 CB ALA A 8 4.686 5.392 4.493 1.00 0.00 C ATOM 0 H ALA A 8 2.200 5.612 4.499 1.00 0.00 H new ATOM 0 HA ALA A 8 4.008 3.751 3.284 1.00 0.00 H new ATOM 0 HB1 ALA A 8 5.727 5.069 4.471 1.00 0.00 H new ATOM 0 HB2 ALA A 8 4.520 6.135 3.713 1.00 0.00 H new ATOM 0 HB3 ALA A 8 4.463 5.831 5.466 1.00 0.00 H new ATOM 121 N GLN A 9 3.472 3.431 6.522 1.00 0.00 N ATOM 122 CA GLN A 9 3.613 2.472 7.649 1.00 0.00 C ATOM 123 C GLN A 9 2.857 1.186 7.310 1.00 0.00 C ATOM 124 O GLN A 9 3.282 0.095 7.629 1.00 0.00 O ATOM 125 CB GLN A 9 3.013 3.096 8.912 1.00 0.00 C ATOM 126 CG GLN A 9 3.196 2.147 10.096 1.00 0.00 C ATOM 127 CD GLN A 9 1.855 1.962 10.807 1.00 0.00 C ATOM 128 OE1 GLN A 9 1.721 2.278 11.972 1.00 0.00 O ATOM 129 NE2 GLN A 9 0.847 1.461 10.145 1.00 0.00 N ATOM 0 H GLN A 9 2.958 4.284 6.743 1.00 0.00 H new ATOM 0 HA GLN A 9 4.666 2.244 7.815 1.00 0.00 H new ATOM 0 HB2 GLN A 9 3.496 4.051 9.121 1.00 0.00 H new ATOM 0 HB3 GLN A 9 1.953 3.301 8.759 1.00 0.00 H new ATOM 0 HG2 GLN A 9 3.573 1.185 9.750 1.00 0.00 H new ATOM 0 HG3 GLN A 9 3.935 2.549 10.788 1.00 0.00 H new ATOM 0 HE21 GLN A 9 0.961 1.196 9.167 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -0.054 1.335 10.606 1.00 0.00 H new ATOM 138 N PHE A 10 1.729 1.317 6.672 1.00 0.00 N ATOM 139 CA PHE A 10 0.916 0.121 6.313 1.00 0.00 C ATOM 140 C PHE A 10 1.688 -0.762 5.332 1.00 0.00 C ATOM 141 O PHE A 10 1.838 -1.950 5.535 1.00 0.00 O ATOM 142 CB PHE A 10 -0.383 0.597 5.656 1.00 0.00 C ATOM 143 CG PHE A 10 -1.320 -0.565 5.442 1.00 0.00 C ATOM 144 CD1 PHE A 10 -2.224 -0.922 6.447 1.00 0.00 C ATOM 145 CD2 PHE A 10 -1.297 -1.274 4.235 1.00 0.00 C ATOM 146 CE1 PHE A 10 -3.104 -1.991 6.250 1.00 0.00 C ATOM 147 CE2 PHE A 10 -2.180 -2.342 4.037 1.00 0.00 C ATOM 148 CZ PHE A 10 -3.083 -2.700 5.045 1.00 0.00 C ATOM 0 H PHE A 10 1.331 2.210 6.381 1.00 0.00 H new ATOM 0 HA PHE A 10 0.697 -0.458 7.210 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -0.862 1.348 6.284 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -0.162 1.074 4.702 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -2.243 -0.372 7.376 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -0.599 -0.998 3.458 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -3.799 -2.269 7.028 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -2.165 -2.890 3.106 1.00 0.00 H new ATOM 0 HZ PHE A 10 -3.764 -3.524 4.892 1.00 0.00 H new ATOM 158 N VAL A 11 2.173 -0.191 4.268 1.00 0.00 N ATOM 159 CA VAL A 11 2.930 -0.997 3.268 1.00 0.00 C ATOM 160 C VAL A 11 4.318 -1.349 3.812 1.00 0.00 C ATOM 161 O VAL A 11 4.801 -2.451 3.640 1.00 0.00 O ATOM 162 CB VAL A 11 3.073 -0.198 1.970 1.00 0.00 C ATOM 163 CG1 VAL A 11 4.189 0.835 2.120 1.00 0.00 C ATOM 164 CG2 VAL A 11 3.414 -1.151 0.822 1.00 0.00 C ATOM 0 H VAL A 11 2.079 0.800 4.045 1.00 0.00 H new ATOM 0 HA VAL A 11 2.385 -1.920 3.071 1.00 0.00 H new ATOM 0 HB VAL A 11 2.135 0.314 1.756 1.00 0.00 H new ATOM 0 HG11 VAL A 11 4.287 1.401 1.194 1.00 0.00 H new ATOM 0 HG12 VAL A 11 3.948 1.515 2.937 1.00 0.00 H new ATOM 0 HG13 VAL A 11 5.129 0.327 2.336 1.00 0.00 H new ATOM 0 HG21 VAL A 11 3.516 -0.584 -0.103 1.00 0.00 H new ATOM 0 HG22 VAL A 11 4.352 -1.662 1.040 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.617 -1.886 0.711 1.00 0.00 H new ATOM 174 N VAL A 12 4.971 -0.419 4.455 1.00 0.00 N ATOM 175 CA VAL A 12 6.333 -0.698 4.993 1.00 0.00 C ATOM 176 C VAL A 12 6.260 -1.778 6.078 1.00 0.00 C ATOM 177 O VAL A 12 7.131 -2.619 6.183 1.00 0.00 O ATOM 178 CB VAL A 12 6.927 0.583 5.580 1.00 0.00 C ATOM 179 CG1 VAL A 12 8.335 0.303 6.112 1.00 0.00 C ATOM 180 CG2 VAL A 12 7.004 1.656 4.492 1.00 0.00 C ATOM 0 H VAL A 12 4.620 0.522 4.631 1.00 0.00 H new ATOM 0 HA VAL A 12 6.969 -1.053 4.182 1.00 0.00 H new ATOM 0 HB VAL A 12 6.293 0.931 6.395 1.00 0.00 H new ATOM 0 HG11 VAL A 12 8.755 1.218 6.529 1.00 0.00 H new ATOM 0 HG12 VAL A 12 8.285 -0.461 6.888 1.00 0.00 H new ATOM 0 HG13 VAL A 12 8.969 -0.048 5.298 1.00 0.00 H new ATOM 0 HG21 VAL A 12 7.427 2.569 4.911 1.00 0.00 H new ATOM 0 HG22 VAL A 12 7.636 1.303 3.677 1.00 0.00 H new ATOM 0 HG23 VAL A 12 6.003 1.861 4.112 1.00 0.00 H new ATOM 190 N GLU A 13 5.238 -1.761 6.889 1.00 0.00 N ATOM 191 CA GLU A 13 5.130 -2.785 7.968 1.00 0.00 C ATOM 192 C GLU A 13 5.197 -4.181 7.355 1.00 0.00 C ATOM 193 O GLU A 13 5.701 -5.110 7.954 1.00 0.00 O ATOM 194 CB GLU A 13 3.807 -2.617 8.713 1.00 0.00 C ATOM 195 CG GLU A 13 3.758 -3.595 9.885 1.00 0.00 C ATOM 196 CD GLU A 13 2.408 -3.478 10.593 1.00 0.00 C ATOM 197 OE1 GLU A 13 1.615 -2.650 10.180 1.00 0.00 O ATOM 198 OE2 GLU A 13 2.190 -4.220 11.538 1.00 0.00 O ATOM 0 H GLU A 13 4.475 -1.085 6.852 1.00 0.00 H new ATOM 0 HA GLU A 13 5.955 -2.655 8.669 1.00 0.00 H new ATOM 0 HB2 GLU A 13 3.708 -1.594 9.075 1.00 0.00 H new ATOM 0 HB3 GLU A 13 2.971 -2.799 8.038 1.00 0.00 H new ATOM 0 HG2 GLU A 13 3.906 -4.614 9.528 1.00 0.00 H new ATOM 0 HG3 GLU A 13 4.567 -3.382 10.584 1.00 0.00 H new ATOM 205 N GLU A 14 4.696 -4.337 6.164 1.00 0.00 N ATOM 206 CA GLU A 14 4.732 -5.673 5.512 1.00 0.00 C ATOM 207 C GLU A 14 6.184 -6.068 5.228 1.00 0.00 C ATOM 208 O GLU A 14 6.535 -7.231 5.251 1.00 0.00 O ATOM 209 CB GLU A 14 3.949 -5.618 4.201 1.00 0.00 C ATOM 210 CG GLU A 14 3.859 -7.022 3.606 1.00 0.00 C ATOM 211 CD GLU A 14 3.153 -6.958 2.251 1.00 0.00 C ATOM 212 OE1 GLU A 14 2.783 -5.867 1.851 1.00 0.00 O ATOM 213 OE2 GLU A 14 2.995 -8.000 1.637 1.00 0.00 O ATOM 0 H GLU A 14 4.262 -3.596 5.613 1.00 0.00 H new ATOM 0 HA GLU A 14 4.282 -6.413 6.174 1.00 0.00 H new ATOM 0 HB2 GLU A 14 2.949 -5.221 4.378 1.00 0.00 H new ATOM 0 HB3 GLU A 14 4.440 -4.944 3.499 1.00 0.00 H new ATOM 0 HG2 GLU A 14 4.857 -7.443 3.488 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.313 -7.680 4.282 1.00 0.00 H new ATOM 220 N PHE A 15 7.032 -5.112 4.958 1.00 0.00 N ATOM 221 CA PHE A 15 8.458 -5.441 4.670 1.00 0.00 C ATOM 222 C PHE A 15 9.374 -4.410 5.340 1.00 0.00 C ATOM 223 O PHE A 15 10.312 -3.923 4.743 1.00 0.00 O ATOM 224 CB PHE A 15 8.687 -5.425 3.155 1.00 0.00 C ATOM 225 CG PHE A 15 8.525 -4.018 2.629 1.00 0.00 C ATOM 226 CD1 PHE A 15 7.245 -3.494 2.416 1.00 0.00 C ATOM 227 CD2 PHE A 15 9.655 -3.239 2.348 1.00 0.00 C ATOM 228 CE1 PHE A 15 7.093 -2.192 1.926 1.00 0.00 C ATOM 229 CE2 PHE A 15 9.503 -1.936 1.858 1.00 0.00 C ATOM 230 CZ PHE A 15 8.222 -1.413 1.647 1.00 0.00 C ATOM 0 H PHE A 15 6.800 -4.119 4.924 1.00 0.00 H new ATOM 0 HA PHE A 15 8.687 -6.431 5.063 1.00 0.00 H new ATOM 0 HB2 PHE A 15 9.685 -5.797 2.925 1.00 0.00 H new ATOM 0 HB3 PHE A 15 7.978 -6.091 2.663 1.00 0.00 H new ATOM 0 HD1 PHE A 15 6.374 -4.095 2.630 1.00 0.00 H new ATOM 0 HD2 PHE A 15 10.643 -3.643 2.509 1.00 0.00 H new ATOM 0 HE1 PHE A 15 6.105 -1.788 1.763 1.00 0.00 H new ATOM 0 HE2 PHE A 15 10.374 -1.335 1.643 1.00 0.00 H new ATOM 0 HZ PHE A 15 8.105 -0.408 1.269 1.00 0.00 H new ATOM 240 N LEU A 16 9.113 -4.071 6.574 1.00 0.00 N ATOM 241 CA LEU A 16 9.973 -3.070 7.265 1.00 0.00 C ATOM 242 C LEU A 16 11.253 -3.741 7.783 1.00 0.00 C ATOM 243 O LEU A 16 11.197 -4.768 8.428 1.00 0.00 O ATOM 244 CB LEU A 16 9.198 -2.426 8.433 1.00 0.00 C ATOM 245 CG LEU A 16 9.475 -3.125 9.778 1.00 0.00 C ATOM 246 CD1 LEU A 16 8.685 -2.413 10.877 1.00 0.00 C ATOM 247 CD2 LEU A 16 9.030 -4.591 9.724 1.00 0.00 C ATOM 0 H LEU A 16 8.344 -4.443 7.131 1.00 0.00 H new ATOM 0 HA LEU A 16 10.250 -2.291 6.555 1.00 0.00 H new ATOM 0 HB2 LEU A 16 9.471 -1.374 8.510 1.00 0.00 H new ATOM 0 HB3 LEU A 16 8.130 -2.463 8.221 1.00 0.00 H new ATOM 0 HG LEU A 16 10.545 -3.085 9.983 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.873 -2.900 11.834 1.00 0.00 H new ATOM 0 HD12 LEU A 16 8.997 -1.370 10.932 1.00 0.00 H new ATOM 0 HD13 LEU A 16 7.620 -2.461 10.649 1.00 0.00 H new ATOM 0 HD21 LEU A 16 9.233 -5.069 10.682 1.00 0.00 H new ATOM 0 HD22 LEU A 16 7.962 -4.639 9.514 1.00 0.00 H new ATOM 0 HD23 LEU A 16 9.578 -5.109 8.937 1.00 0.00 H new ATOM 259 N PRO A 17 12.402 -3.161 7.527 1.00 0.00 N ATOM 260 CA PRO A 17 13.691 -3.721 8.011 1.00 0.00 C ATOM 261 C PRO A 17 13.859 -3.452 9.510 1.00 0.00 C ATOM 262 O PRO A 17 12.890 -3.326 10.232 1.00 0.00 O ATOM 263 CB PRO A 17 14.741 -2.962 7.193 1.00 0.00 C ATOM 264 CG PRO A 17 14.105 -1.654 6.868 1.00 0.00 C ATOM 265 CD PRO A 17 12.607 -1.916 6.758 1.00 0.00 C ATOM 0 HA PRO A 17 13.766 -4.802 7.888 1.00 0.00 H new ATOM 0 HB2 PRO A 17 15.660 -2.823 7.762 1.00 0.00 H new ATOM 0 HB3 PRO A 17 15.006 -3.508 6.288 1.00 0.00 H new ATOM 0 HG2 PRO A 17 14.314 -0.918 7.644 1.00 0.00 H new ATOM 0 HG3 PRO A 17 14.498 -1.253 5.934 1.00 0.00 H new ATOM 0 HD2 PRO A 17 12.027 -1.091 7.172 1.00 0.00 H new ATOM 0 HD3 PRO A 17 12.298 -2.033 5.719 1.00 0.00 H new ATOM 273 N ASP A 18 15.064 -3.347 9.986 1.00 0.00 N ATOM 274 CA ASP A 18 15.261 -3.068 11.430 1.00 0.00 C ATOM 275 C ASP A 18 14.985 -1.585 11.685 1.00 0.00 C ATOM 276 O ASP A 18 15.280 -1.058 12.739 1.00 0.00 O ATOM 277 CB ASP A 18 16.701 -3.397 11.815 1.00 0.00 C ATOM 278 CG ASP A 18 16.928 -4.906 11.708 1.00 0.00 C ATOM 279 OD1 ASP A 18 15.951 -5.625 11.579 1.00 0.00 O ATOM 280 OD2 ASP A 18 18.076 -5.317 11.755 1.00 0.00 O ATOM 0 H ASP A 18 15.919 -3.442 9.439 1.00 0.00 H new ATOM 0 HA ASP A 18 14.582 -3.677 12.027 1.00 0.00 H new ATOM 0 HB2 ASP A 18 17.393 -2.867 11.160 1.00 0.00 H new ATOM 0 HB3 ASP A 18 16.903 -3.060 12.832 1.00 0.00 H new ATOM 285 N VAL A 19 14.424 -0.909 10.714 1.00 0.00 N ATOM 286 CA VAL A 19 14.130 0.544 10.876 1.00 0.00 C ATOM 287 C VAL A 19 12.616 0.770 10.882 1.00 0.00 C ATOM 288 O VAL A 19 11.893 0.209 10.083 1.00 0.00 O ATOM 289 CB VAL A 19 14.744 1.312 9.706 1.00 0.00 C ATOM 290 CG1 VAL A 19 14.605 2.815 9.952 1.00 0.00 C ATOM 291 CG2 VAL A 19 16.225 0.950 9.578 1.00 0.00 C ATOM 0 H VAL A 19 14.157 -1.305 9.813 1.00 0.00 H new ATOM 0 HA VAL A 19 14.552 0.895 11.818 1.00 0.00 H new ATOM 0 HB VAL A 19 14.225 1.046 8.785 1.00 0.00 H new ATOM 0 HG11 VAL A 19 15.043 3.362 9.117 1.00 0.00 H new ATOM 0 HG12 VAL A 19 13.550 3.073 10.041 1.00 0.00 H new ATOM 0 HG13 VAL A 19 15.123 3.082 10.873 1.00 0.00 H new ATOM 0 HG21 VAL A 19 16.663 1.498 8.743 1.00 0.00 H new ATOM 0 HG22 VAL A 19 16.745 1.215 10.499 1.00 0.00 H new ATOM 0 HG23 VAL A 19 16.324 -0.121 9.401 1.00 0.00 H new ATOM 301 N ALA A 20 12.130 1.596 11.769 1.00 0.00 N ATOM 302 CA ALA A 20 10.664 1.862 11.811 1.00 0.00 C ATOM 303 C ALA A 20 10.277 2.719 10.593 1.00 0.00 C ATOM 304 O ALA A 20 10.998 3.627 10.231 1.00 0.00 O ATOM 305 CB ALA A 20 10.324 2.624 13.094 1.00 0.00 C ATOM 0 H ALA A 20 12.683 2.097 12.464 1.00 0.00 H new ATOM 0 HA ALA A 20 10.116 0.920 11.791 1.00 0.00 H new ATOM 0 HB1 ALA A 20 9.252 2.820 13.128 1.00 0.00 H new ATOM 0 HB2 ALA A 20 10.611 2.026 13.959 1.00 0.00 H new ATOM 0 HB3 ALA A 20 10.866 3.569 13.110 1.00 0.00 H new ATOM 311 N PRO A 21 9.151 2.454 9.962 1.00 0.00 N ATOM 312 CA PRO A 21 8.705 3.246 8.776 1.00 0.00 C ATOM 313 C PRO A 21 8.794 4.755 9.021 1.00 0.00 C ATOM 314 O PRO A 21 9.006 5.530 8.109 1.00 0.00 O ATOM 315 CB PRO A 21 7.246 2.834 8.585 1.00 0.00 C ATOM 316 CG PRO A 21 7.122 1.483 9.205 1.00 0.00 C ATOM 317 CD PRO A 21 8.193 1.382 10.292 1.00 0.00 C ATOM 0 HA PRO A 21 9.333 3.051 7.906 1.00 0.00 H new ATOM 0 HB2 PRO A 21 6.573 3.546 9.062 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.983 2.805 7.528 1.00 0.00 H new ATOM 0 HG2 PRO A 21 6.128 1.345 9.631 1.00 0.00 H new ATOM 0 HG3 PRO A 21 7.259 0.703 8.457 1.00 0.00 H new ATOM 0 HD2 PRO A 21 7.766 1.522 11.285 1.00 0.00 H new ATOM 0 HD3 PRO A 21 8.674 0.404 10.287 1.00 0.00 H new ATOM 325 N ALA A 22 8.639 5.176 10.244 1.00 0.00 N ATOM 326 CA ALA A 22 8.722 6.632 10.547 1.00 0.00 C ATOM 327 C ALA A 22 10.146 7.123 10.280 1.00 0.00 C ATOM 328 O ALA A 22 10.381 8.294 10.055 1.00 0.00 O ATOM 329 CB ALA A 22 8.368 6.867 12.017 1.00 0.00 C ATOM 0 H ALA A 22 8.458 4.575 11.048 1.00 0.00 H new ATOM 0 HA ALA A 22 8.023 7.178 9.914 1.00 0.00 H new ATOM 0 HB1 ALA A 22 8.428 7.932 12.240 1.00 0.00 H new ATOM 0 HB2 ALA A 22 7.355 6.513 12.208 1.00 0.00 H new ATOM 0 HB3 ALA A 22 9.068 6.323 12.651 1.00 0.00 H new ATOM 335 N ASP A 23 11.097 6.230 10.302 1.00 0.00 N ATOM 336 CA ASP A 23 12.510 6.628 10.050 1.00 0.00 C ATOM 337 C ASP A 23 12.914 6.181 8.646 1.00 0.00 C ATOM 338 O ASP A 23 14.058 6.294 8.251 1.00 0.00 O ATOM 339 CB ASP A 23 13.421 5.965 11.084 1.00 0.00 C ATOM 340 CG ASP A 23 13.129 6.544 12.469 1.00 0.00 C ATOM 341 OD1 ASP A 23 12.440 7.549 12.536 1.00 0.00 O ATOM 342 OD2 ASP A 23 13.598 5.973 13.440 1.00 0.00 O ATOM 0 H ASP A 23 10.955 5.237 10.485 1.00 0.00 H new ATOM 0 HA ASP A 23 12.606 7.711 10.130 1.00 0.00 H new ATOM 0 HB2 ASP A 23 13.260 4.887 11.088 1.00 0.00 H new ATOM 0 HB3 ASP A 23 14.466 6.130 10.822 1.00 0.00 H new ATOM 347 N VAL A 24 11.979 5.682 7.888 1.00 0.00 N ATOM 348 CA VAL A 24 12.298 5.234 6.505 1.00 0.00 C ATOM 349 C VAL A 24 11.887 6.332 5.531 1.00 0.00 C ATOM 350 O VAL A 24 10.861 6.964 5.692 1.00 0.00 O ATOM 351 CB VAL A 24 11.529 3.952 6.182 1.00 0.00 C ATOM 352 CG1 VAL A 24 11.873 3.494 4.763 1.00 0.00 C ATOM 353 CG2 VAL A 24 11.922 2.857 7.175 1.00 0.00 C ATOM 0 H VAL A 24 11.005 5.565 8.168 1.00 0.00 H new ATOM 0 HA VAL A 24 13.366 5.036 6.419 1.00 0.00 H new ATOM 0 HB VAL A 24 10.459 4.144 6.255 1.00 0.00 H new ATOM 0 HG11 VAL A 24 11.325 2.580 4.533 1.00 0.00 H new ATOM 0 HG12 VAL A 24 11.596 4.272 4.052 1.00 0.00 H new ATOM 0 HG13 VAL A 24 12.944 3.303 4.692 1.00 0.00 H new ATOM 0 HG21 VAL A 24 11.374 1.943 6.945 1.00 0.00 H new ATOM 0 HG22 VAL A 24 12.993 2.666 7.101 1.00 0.00 H new ATOM 0 HG23 VAL A 24 11.680 3.180 8.187 1.00 0.00 H new ATOM 363 N ASP A 25 12.677 6.577 4.527 1.00 0.00 N ATOM 364 CA ASP A 25 12.320 7.647 3.561 1.00 0.00 C ATOM 365 C ASP A 25 11.064 7.235 2.794 1.00 0.00 C ATOM 366 O ASP A 25 11.126 6.504 1.825 1.00 0.00 O ATOM 367 CB ASP A 25 13.475 7.855 2.580 1.00 0.00 C ATOM 368 CG ASP A 25 13.176 9.060 1.687 1.00 0.00 C ATOM 369 OD1 ASP A 25 12.185 9.726 1.937 1.00 0.00 O ATOM 370 OD2 ASP A 25 13.942 9.296 0.768 1.00 0.00 O ATOM 0 H ASP A 25 13.550 6.086 4.334 1.00 0.00 H new ATOM 0 HA ASP A 25 12.131 8.577 4.097 1.00 0.00 H new ATOM 0 HB2 ASP A 25 14.405 8.015 3.126 1.00 0.00 H new ATOM 0 HB3 ASP A 25 13.613 6.962 1.970 1.00 0.00 H new ATOM 375 N VAL A 26 9.923 7.702 3.222 1.00 0.00 N ATOM 376 CA VAL A 26 8.658 7.347 2.524 1.00 0.00 C ATOM 377 C VAL A 26 8.734 7.803 1.061 1.00 0.00 C ATOM 378 O VAL A 26 7.787 7.679 0.310 1.00 0.00 O ATOM 379 CB VAL A 26 7.501 8.051 3.236 1.00 0.00 C ATOM 380 CG1 VAL A 26 7.889 9.502 3.527 1.00 0.00 C ATOM 381 CG2 VAL A 26 6.259 8.031 2.350 1.00 0.00 C ATOM 0 H VAL A 26 9.814 8.317 4.029 1.00 0.00 H new ATOM 0 HA VAL A 26 8.502 6.268 2.545 1.00 0.00 H new ATOM 0 HB VAL A 26 7.287 7.532 4.170 1.00 0.00 H new ATOM 0 HG11 VAL A 26 7.065 10.004 4.034 1.00 0.00 H new ATOM 0 HG12 VAL A 26 8.773 9.521 4.164 1.00 0.00 H new ATOM 0 HG13 VAL A 26 8.105 10.016 2.590 1.00 0.00 H new ATOM 0 HG21 VAL A 26 5.439 8.534 2.862 1.00 0.00 H new ATOM 0 HG22 VAL A 26 6.472 8.546 1.413 1.00 0.00 H new ATOM 0 HG23 VAL A 26 5.978 6.999 2.141 1.00 0.00 H new ATOM 391 N ASP A 27 9.862 8.312 0.644 1.00 0.00 N ATOM 392 CA ASP A 27 10.004 8.756 -0.770 1.00 0.00 C ATOM 393 C ASP A 27 10.657 7.633 -1.579 1.00 0.00 C ATOM 394 O ASP A 27 11.098 7.830 -2.694 1.00 0.00 O ATOM 395 CB ASP A 27 10.882 10.007 -0.830 1.00 0.00 C ATOM 396 CG ASP A 27 10.166 11.168 -0.137 1.00 0.00 C ATOM 397 OD1 ASP A 27 8.980 11.039 0.118 1.00 0.00 O ATOM 398 OD2 ASP A 27 10.816 12.166 0.127 1.00 0.00 O ATOM 0 H ASP A 27 10.692 8.439 1.223 1.00 0.00 H new ATOM 0 HA ASP A 27 9.023 8.988 -1.184 1.00 0.00 H new ATOM 0 HB2 ASP A 27 11.840 9.816 -0.346 1.00 0.00 H new ATOM 0 HB3 ASP A 27 11.095 10.265 -1.867 1.00 0.00 H new ATOM 403 N LEU A 28 10.727 6.455 -1.018 1.00 0.00 N ATOM 404 CA LEU A 28 11.356 5.314 -1.742 1.00 0.00 C ATOM 405 C LEU A 28 10.332 4.665 -2.665 1.00 0.00 C ATOM 406 O LEU A 28 9.212 4.395 -2.279 1.00 0.00 O ATOM 407 CB LEU A 28 11.851 4.281 -0.730 1.00 0.00 C ATOM 408 CG LEU A 28 12.616 3.174 -1.462 1.00 0.00 C ATOM 409 CD1 LEU A 28 13.913 3.739 -2.048 1.00 0.00 C ATOM 410 CD2 LEU A 28 12.950 2.052 -0.477 1.00 0.00 C ATOM 0 H LEU A 28 10.374 6.234 -0.087 1.00 0.00 H new ATOM 0 HA LEU A 28 12.195 5.681 -2.333 1.00 0.00 H new ATOM 0 HB2 LEU A 28 12.497 4.759 0.006 1.00 0.00 H new ATOM 0 HB3 LEU A 28 11.007 3.856 -0.186 1.00 0.00 H new ATOM 0 HG LEU A 28 11.998 2.782 -2.270 1.00 0.00 H new ATOM 0 HD11 LEU A 28 14.453 2.947 -2.567 1.00 0.00 H new ATOM 0 HD12 LEU A 28 13.677 4.538 -2.750 1.00 0.00 H new ATOM 0 HD13 LEU A 28 14.534 4.134 -1.244 1.00 0.00 H new ATOM 0 HD21 LEU A 28 13.494 1.263 -0.995 1.00 0.00 H new ATOM 0 HD22 LEU A 28 13.566 2.448 0.330 1.00 0.00 H new ATOM 0 HD23 LEU A 28 12.028 1.645 -0.063 1.00 0.00 H new ATOM 422 N ASP A 29 10.708 4.410 -3.886 1.00 0.00 N ATOM 423 CA ASP A 29 9.757 3.777 -4.834 1.00 0.00 C ATOM 424 C ASP A 29 9.475 2.344 -4.384 1.00 0.00 C ATOM 425 O ASP A 29 10.369 1.532 -4.252 1.00 0.00 O ATOM 426 CB ASP A 29 10.355 3.775 -6.244 1.00 0.00 C ATOM 427 CG ASP A 29 11.738 3.120 -6.221 1.00 0.00 C ATOM 428 OD1 ASP A 29 12.138 2.657 -5.166 1.00 0.00 O ATOM 429 OD2 ASP A 29 12.375 3.092 -7.261 1.00 0.00 O ATOM 0 H ASP A 29 11.632 4.613 -4.266 1.00 0.00 H new ATOM 0 HA ASP A 29 8.825 4.342 -4.848 1.00 0.00 H new ATOM 0 HB2 ASP A 29 9.698 3.235 -6.926 1.00 0.00 H new ATOM 0 HB3 ASP A 29 10.433 4.796 -6.617 1.00 0.00 H new ATOM 434 N LEU A 30 8.236 2.029 -4.138 1.00 0.00 N ATOM 435 CA LEU A 30 7.898 0.653 -3.687 1.00 0.00 C ATOM 436 C LEU A 30 8.267 -0.348 -4.782 1.00 0.00 C ATOM 437 O LEU A 30 8.199 -1.545 -4.586 1.00 0.00 O ATOM 438 CB LEU A 30 6.398 0.552 -3.396 1.00 0.00 C ATOM 439 CG LEU A 30 6.002 1.585 -2.341 1.00 0.00 C ATOM 440 CD1 LEU A 30 4.516 1.429 -2.014 1.00 0.00 C ATOM 441 CD2 LEU A 30 6.829 1.361 -1.073 1.00 0.00 C ATOM 0 H LEU A 30 7.443 2.664 -4.230 1.00 0.00 H new ATOM 0 HA LEU A 30 8.457 0.429 -2.779 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.829 0.717 -4.311 1.00 0.00 H new ATOM 0 HB3 LEU A 30 6.153 -0.451 -3.046 1.00 0.00 H new ATOM 0 HG LEU A 30 6.189 2.588 -2.723 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.230 2.164 -1.262 1.00 0.00 H new ATOM 0 HD12 LEU A 30 3.926 1.586 -2.917 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.331 0.426 -1.630 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.547 2.097 -0.320 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.641 0.359 -0.688 1.00 0.00 H new ATOM 0 HD23 LEU A 30 7.888 1.468 -1.306 1.00 0.00 H new ATOM 453 N VAL A 31 8.647 0.125 -5.939 1.00 0.00 N ATOM 454 CA VAL A 31 9.003 -0.818 -7.034 1.00 0.00 C ATOM 455 C VAL A 31 9.993 -1.851 -6.504 1.00 0.00 C ATOM 456 O VAL A 31 9.868 -3.032 -6.758 1.00 0.00 O ATOM 457 CB VAL A 31 9.638 -0.052 -8.195 1.00 0.00 C ATOM 458 CG1 VAL A 31 10.287 -1.042 -9.164 1.00 0.00 C ATOM 459 CG2 VAL A 31 8.557 0.739 -8.932 1.00 0.00 C ATOM 0 H VAL A 31 8.725 1.115 -6.170 1.00 0.00 H new ATOM 0 HA VAL A 31 8.101 -1.318 -7.388 1.00 0.00 H new ATOM 0 HB VAL A 31 10.394 0.631 -7.809 1.00 0.00 H new ATOM 0 HG11 VAL A 31 10.740 -0.497 -9.992 1.00 0.00 H new ATOM 0 HG12 VAL A 31 11.055 -1.612 -8.641 1.00 0.00 H new ATOM 0 HG13 VAL A 31 9.529 -1.724 -9.550 1.00 0.00 H new ATOM 0 HG21 VAL A 31 9.007 1.286 -9.760 1.00 0.00 H new ATOM 0 HG22 VAL A 31 7.803 0.053 -9.318 1.00 0.00 H new ATOM 0 HG23 VAL A 31 8.089 1.443 -8.244 1.00 0.00 H new ATOM 469 N ASP A 32 10.964 -1.422 -5.749 1.00 0.00 N ATOM 470 CA ASP A 32 11.940 -2.394 -5.186 1.00 0.00 C ATOM 471 C ASP A 32 11.151 -3.442 -4.406 1.00 0.00 C ATOM 472 O ASP A 32 11.466 -4.616 -4.409 1.00 0.00 O ATOM 473 CB ASP A 32 12.909 -1.671 -4.247 1.00 0.00 C ATOM 474 CG ASP A 32 13.795 -0.723 -5.059 1.00 0.00 C ATOM 475 OD1 ASP A 32 13.785 -0.830 -6.274 1.00 0.00 O ATOM 476 OD2 ASP A 32 14.467 0.093 -4.451 1.00 0.00 O ATOM 0 H ASP A 32 11.124 -0.446 -5.498 1.00 0.00 H new ATOM 0 HA ASP A 32 12.517 -2.863 -5.983 1.00 0.00 H new ATOM 0 HB2 ASP A 32 12.353 -1.111 -3.494 1.00 0.00 H new ATOM 0 HB3 ASP A 32 13.525 -2.396 -3.715 1.00 0.00 H new ATOM 481 N ASN A 33 10.106 -3.013 -3.756 1.00 0.00 N ATOM 482 CA ASN A 33 9.249 -3.950 -2.985 1.00 0.00 C ATOM 483 C ASN A 33 8.215 -4.551 -3.933 1.00 0.00 C ATOM 484 O ASN A 33 7.209 -5.088 -3.514 1.00 0.00 O ATOM 485 CB ASN A 33 8.541 -3.196 -1.863 1.00 0.00 C ATOM 486 CG ASN A 33 9.583 -2.567 -0.939 1.00 0.00 C ATOM 487 OD1 ASN A 33 9.754 -1.276 -0.959 1.00 0.00 O flip ATOM 488 ND2 ASN A 33 10.252 -3.259 -0.198 1.00 0.00 N flip ATOM 0 H ASN A 33 9.807 -2.038 -3.727 1.00 0.00 H new ATOM 0 HA ASN A 33 9.859 -4.740 -2.547 1.00 0.00 H new ATOM 0 HB2 ASN A 33 7.895 -2.424 -2.280 1.00 0.00 H new ATOM 0 HB3 ASN A 33 7.902 -3.876 -1.299 1.00 0.00 H new ATOM 0 HD21 ASN A 33 10.117 -4.270 -0.184 1.00 0.00 H new ATOM 0 HD22 ASN A 33 10.949 -2.829 0.410 1.00 0.00 H new ATOM 495 N GLY A 34 8.451 -4.439 -5.215 1.00 0.00 N ATOM 496 CA GLY A 34 7.485 -4.981 -6.211 1.00 0.00 C ATOM 497 C GLY A 34 6.977 -6.343 -5.744 1.00 0.00 C ATOM 498 O GLY A 34 5.967 -6.830 -6.207 1.00 0.00 O ATOM 0 H GLY A 34 9.277 -3.993 -5.615 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.649 -4.292 -6.334 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.966 -5.075 -7.185 1.00 0.00 H new ATOM 502 N VAL A 35 7.652 -6.956 -4.816 1.00 0.00 N ATOM 503 CA VAL A 35 7.174 -8.272 -4.319 1.00 0.00 C ATOM 504 C VAL A 35 5.719 -8.112 -3.878 1.00 0.00 C ATOM 505 O VAL A 35 4.891 -8.977 -4.085 1.00 0.00 O ATOM 506 CB VAL A 35 8.027 -8.707 -3.124 1.00 0.00 C ATOM 507 CG1 VAL A 35 7.385 -9.920 -2.448 1.00 0.00 C ATOM 508 CG2 VAL A 35 9.430 -9.079 -3.608 1.00 0.00 C ATOM 0 H VAL A 35 8.507 -6.606 -4.383 1.00 0.00 H new ATOM 0 HA VAL A 35 7.252 -9.026 -5.103 1.00 0.00 H new ATOM 0 HB VAL A 35 8.092 -7.886 -2.409 1.00 0.00 H new ATOM 0 HG11 VAL A 35 7.994 -10.228 -1.598 1.00 0.00 H new ATOM 0 HG12 VAL A 35 6.385 -9.657 -2.102 1.00 0.00 H new ATOM 0 HG13 VAL A 35 7.317 -10.741 -3.162 1.00 0.00 H new ATOM 0 HG21 VAL A 35 10.038 -9.389 -2.758 1.00 0.00 H new ATOM 0 HG22 VAL A 35 9.363 -9.898 -4.324 1.00 0.00 H new ATOM 0 HG23 VAL A 35 9.890 -8.215 -4.088 1.00 0.00 H new ATOM 518 N ILE A 36 5.408 -7.000 -3.268 1.00 0.00 N ATOM 519 CA ILE A 36 4.015 -6.753 -2.802 1.00 0.00 C ATOM 520 C ILE A 36 3.091 -6.504 -3.997 1.00 0.00 C ATOM 521 O ILE A 36 1.896 -6.688 -3.917 1.00 0.00 O ATOM 522 CB ILE A 36 4.001 -5.504 -1.923 1.00 0.00 C ATOM 523 CG1 ILE A 36 2.757 -5.522 -1.036 1.00 0.00 C ATOM 524 CG2 ILE A 36 3.965 -4.264 -2.816 1.00 0.00 C ATOM 525 CD1 ILE A 36 2.709 -4.247 -0.193 1.00 0.00 C ATOM 0 H ILE A 36 6.066 -6.246 -3.071 1.00 0.00 H new ATOM 0 HA ILE A 36 3.670 -7.625 -2.247 1.00 0.00 H new ATOM 0 HB ILE A 36 4.894 -5.484 -1.299 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.860 -5.597 -1.651 1.00 0.00 H new ATOM 0 HG13 ILE A 36 2.773 -6.398 -0.388 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.955 -3.368 -2.195 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.847 -4.251 -3.457 1.00 0.00 H new ATOM 0 HG23 ILE A 36 3.068 -4.287 -3.434 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.821 -4.262 0.439 1.00 0.00 H new ATOM 0 HD12 ILE A 36 3.599 -4.191 0.433 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.673 -3.378 -0.850 1.00 0.00 H new ATOM 537 N ASP A 37 3.632 -6.054 -5.091 1.00 0.00 N ATOM 538 CA ASP A 37 2.782 -5.754 -6.280 1.00 0.00 C ATOM 539 C ASP A 37 2.051 -7.007 -6.771 1.00 0.00 C ATOM 540 O ASP A 37 0.975 -6.914 -7.328 1.00 0.00 O ATOM 541 CB ASP A 37 3.651 -5.203 -7.413 1.00 0.00 C ATOM 542 CG ASP A 37 4.224 -3.845 -7.004 1.00 0.00 C ATOM 543 OD1 ASP A 37 3.782 -3.316 -5.998 1.00 0.00 O ATOM 544 OD2 ASP A 37 5.094 -3.356 -7.707 1.00 0.00 O ATOM 0 H ASP A 37 4.629 -5.879 -5.217 1.00 0.00 H new ATOM 0 HA ASP A 37 2.040 -5.013 -5.983 1.00 0.00 H new ATOM 0 HB2 ASP A 37 4.460 -5.899 -7.636 1.00 0.00 H new ATOM 0 HB3 ASP A 37 3.059 -5.101 -8.322 1.00 0.00 H new ATOM 549 N SER A 38 2.626 -8.169 -6.603 1.00 0.00 N ATOM 550 CA SER A 38 1.952 -9.406 -7.102 1.00 0.00 C ATOM 551 C SER A 38 1.488 -10.293 -5.943 1.00 0.00 C ATOM 552 O SER A 38 0.309 -10.525 -5.765 1.00 0.00 O ATOM 553 CB SER A 38 2.935 -10.190 -7.972 1.00 0.00 C ATOM 554 OG SER A 38 3.838 -9.277 -8.605 1.00 0.00 O ATOM 0 H SER A 38 3.526 -8.316 -6.146 1.00 0.00 H new ATOM 0 HA SER A 38 1.076 -9.113 -7.680 1.00 0.00 H new ATOM 0 HB2 SER A 38 3.489 -10.904 -7.362 1.00 0.00 H new ATOM 0 HB3 SER A 38 2.395 -10.765 -8.724 1.00 0.00 H new ATOM 559 N LEU A 39 2.399 -10.814 -5.173 1.00 0.00 N ATOM 560 CA LEU A 39 1.997 -11.710 -4.052 1.00 0.00 C ATOM 561 C LEU A 39 1.253 -10.923 -2.975 1.00 0.00 C ATOM 562 O LEU A 39 0.182 -11.301 -2.544 1.00 0.00 O ATOM 563 CB LEU A 39 3.247 -12.352 -3.446 1.00 0.00 C ATOM 564 CG LEU A 39 2.843 -13.408 -2.413 1.00 0.00 C ATOM 565 CD1 LEU A 39 3.786 -14.608 -2.517 1.00 0.00 C ATOM 566 CD2 LEU A 39 2.941 -12.812 -1.006 1.00 0.00 C ATOM 0 H LEU A 39 3.403 -10.660 -5.269 1.00 0.00 H new ATOM 0 HA LEU A 39 1.332 -12.483 -4.439 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.848 -12.810 -4.231 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.866 -11.589 -2.975 1.00 0.00 H new ATOM 0 HG LEU A 39 1.819 -13.727 -2.604 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.500 -15.361 -1.782 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.722 -15.035 -3.518 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.809 -14.284 -2.325 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.653 -13.564 -0.271 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.966 -12.493 -0.817 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.274 -11.954 -0.927 1.00 0.00 H new ATOM 578 N GLY A 40 1.814 -9.838 -2.530 1.00 0.00 N ATOM 579 CA GLY A 40 1.142 -9.033 -1.473 1.00 0.00 C ATOM 580 C GLY A 40 -0.096 -8.344 -2.045 1.00 0.00 C ATOM 581 O GLY A 40 -1.120 -8.248 -1.398 1.00 0.00 O ATOM 0 H GLY A 40 2.710 -9.472 -2.852 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.858 -9.677 -0.641 1.00 0.00 H new ATOM 0 HA3 GLY A 40 1.833 -8.288 -1.078 1.00 0.00 H new ATOM 585 N LEU A 41 -0.007 -7.854 -3.248 1.00 0.00 N ATOM 586 CA LEU A 41 -1.175 -7.159 -3.856 1.00 0.00 C ATOM 587 C LEU A 41 -2.361 -8.115 -3.908 1.00 0.00 C ATOM 588 O LEU A 41 -3.485 -7.742 -3.640 1.00 0.00 O ATOM 589 CB LEU A 41 -0.816 -6.708 -5.274 1.00 0.00 C ATOM 590 CG LEU A 41 -1.933 -5.827 -5.841 1.00 0.00 C ATOM 591 CD1 LEU A 41 -1.316 -4.694 -6.662 1.00 0.00 C ATOM 592 CD2 LEU A 41 -2.839 -6.668 -6.745 1.00 0.00 C ATOM 0 H LEU A 41 0.824 -7.904 -3.837 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.437 -6.289 -3.255 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.124 -6.156 -5.262 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.667 -7.577 -5.914 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.519 -5.412 -5.021 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.109 -4.065 -7.067 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.667 -4.094 -6.024 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.732 -5.114 -7.481 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.634 -6.041 -7.148 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.252 -7.082 -7.565 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.277 -7.481 -6.166 1.00 0.00 H new ATOM 604 N LEU A 42 -2.123 -9.349 -4.245 1.00 0.00 N ATOM 605 CA LEU A 42 -3.247 -10.322 -4.304 1.00 0.00 C ATOM 606 C LEU A 42 -3.870 -10.433 -2.913 1.00 0.00 C ATOM 607 O LEU A 42 -5.075 -10.427 -2.756 1.00 0.00 O ATOM 608 CB LEU A 42 -2.717 -11.691 -4.742 1.00 0.00 C ATOM 609 CG LEU A 42 -3.882 -12.661 -4.943 1.00 0.00 C ATOM 610 CD1 LEU A 42 -4.506 -12.430 -6.316 1.00 0.00 C ATOM 611 CD2 LEU A 42 -3.367 -14.099 -4.854 1.00 0.00 C ATOM 0 H LEU A 42 -1.205 -9.725 -4.481 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.996 -9.985 -5.021 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.151 -11.592 -5.668 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.032 -12.083 -3.990 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.632 -12.493 -4.170 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -5.336 -13.121 -6.459 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.872 -11.405 -6.382 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.756 -12.598 -7.089 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -4.196 -14.792 -4.997 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.617 -14.266 -5.628 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.920 -14.265 -3.874 1.00 0.00 H new ATOM 623 N LYS A 43 -3.054 -10.525 -1.899 1.00 0.00 N ATOM 624 CA LYS A 43 -3.589 -10.625 -0.516 1.00 0.00 C ATOM 625 C LYS A 43 -4.230 -9.295 -0.111 1.00 0.00 C ATOM 626 O LYS A 43 -5.257 -9.261 0.539 1.00 0.00 O ATOM 627 CB LYS A 43 -2.445 -10.950 0.440 1.00 0.00 C ATOM 628 CG LYS A 43 -1.885 -12.336 0.117 1.00 0.00 C ATOM 629 CD LYS A 43 -0.816 -12.709 1.147 1.00 0.00 C ATOM 630 CE LYS A 43 -0.174 -14.041 0.757 1.00 0.00 C ATOM 631 NZ LYS A 43 1.073 -14.241 1.547 1.00 0.00 N ATOM 0 H LYS A 43 -2.037 -10.535 -1.971 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.342 -11.412 -0.473 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.659 -10.200 0.352 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.799 -10.921 1.470 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.687 -13.075 0.126 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.457 -12.342 -0.885 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.057 -11.928 1.198 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.262 -12.785 2.139 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -0.869 -14.860 0.941 1.00 0.00 H new ATOM 0 HE3 LYS A 43 0.053 -14.049 -0.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 1.647 -14.988 1.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 1.616 -13.355 1.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 0.828 -14.520 2.518 1.00 0.00 H new ATOM 645 N VAL A 44 -3.623 -8.198 -0.480 1.00 0.00 N ATOM 646 CA VAL A 44 -4.185 -6.868 -0.106 1.00 0.00 C ATOM 647 C VAL A 44 -5.532 -6.650 -0.796 1.00 0.00 C ATOM 648 O VAL A 44 -6.489 -6.218 -0.186 1.00 0.00 O ATOM 649 CB VAL A 44 -3.213 -5.770 -0.536 1.00 0.00 C ATOM 650 CG1 VAL A 44 -3.857 -4.403 -0.307 1.00 0.00 C ATOM 651 CG2 VAL A 44 -1.931 -5.877 0.292 1.00 0.00 C ATOM 0 H VAL A 44 -2.761 -8.166 -1.025 1.00 0.00 H new ATOM 0 HA VAL A 44 -4.330 -6.834 0.974 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.974 -5.885 -1.593 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.165 -3.619 -0.613 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.772 -4.329 -0.894 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.094 -4.285 0.750 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.235 -5.095 -0.012 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.170 -5.759 1.349 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.474 -6.853 0.130 1.00 0.00 H new ATOM 661 N ILE A 45 -5.617 -6.939 -2.062 1.00 0.00 N ATOM 662 CA ILE A 45 -6.902 -6.744 -2.784 1.00 0.00 C ATOM 663 C ILE A 45 -7.968 -7.661 -2.182 1.00 0.00 C ATOM 664 O ILE A 45 -9.099 -7.267 -1.979 1.00 0.00 O ATOM 665 CB ILE A 45 -6.701 -7.078 -4.264 1.00 0.00 C ATOM 666 CG1 ILE A 45 -6.357 -5.800 -5.037 1.00 0.00 C ATOM 667 CG2 ILE A 45 -7.982 -7.686 -4.835 1.00 0.00 C ATOM 668 CD1 ILE A 45 -5.229 -5.048 -4.326 1.00 0.00 C ATOM 0 H ILE A 45 -4.851 -7.302 -2.629 1.00 0.00 H new ATOM 0 HA ILE A 45 -7.228 -5.708 -2.688 1.00 0.00 H new ATOM 0 HB ILE A 45 -5.885 -7.794 -4.362 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -6.054 -6.050 -6.054 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -7.238 -5.163 -5.114 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -7.834 -7.922 -5.889 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -8.227 -8.598 -4.290 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -8.800 -6.972 -4.734 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -4.990 -4.141 -4.881 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -5.547 -4.783 -3.318 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -4.345 -5.684 -4.272 1.00 0.00 H new ATOM 680 N ALA A 46 -7.615 -8.884 -1.898 1.00 0.00 N ATOM 681 CA ALA A 46 -8.606 -9.831 -1.314 1.00 0.00 C ATOM 682 C ALA A 46 -9.017 -9.360 0.084 1.00 0.00 C ATOM 683 O ALA A 46 -10.177 -9.392 0.443 1.00 0.00 O ATOM 684 CB ALA A 46 -7.972 -11.219 -1.213 1.00 0.00 C ATOM 0 H ALA A 46 -6.682 -9.269 -2.045 1.00 0.00 H new ATOM 0 HA ALA A 46 -9.489 -9.870 -1.953 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -8.692 -11.918 -0.786 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.681 -11.559 -2.207 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -7.090 -11.171 -0.574 1.00 0.00 H new ATOM 690 N TRP A 47 -8.075 -8.929 0.877 1.00 0.00 N ATOM 691 CA TRP A 47 -8.412 -8.462 2.252 1.00 0.00 C ATOM 692 C TRP A 47 -9.030 -7.066 2.191 1.00 0.00 C ATOM 693 O TRP A 47 -10.019 -6.784 2.838 1.00 0.00 O ATOM 694 CB TRP A 47 -7.138 -8.421 3.098 1.00 0.00 C ATOM 695 CG TRP A 47 -7.238 -7.317 4.102 1.00 0.00 C ATOM 696 CD1 TRP A 47 -7.753 -7.440 5.347 1.00 0.00 C ATOM 697 CD2 TRP A 47 -6.817 -5.929 3.968 1.00 0.00 C ATOM 698 NE1 TRP A 47 -7.674 -6.214 5.985 1.00 0.00 N ATOM 699 CE2 TRP A 47 -7.104 -5.251 5.175 1.00 0.00 C ATOM 700 CE3 TRP A 47 -6.220 -5.201 2.924 1.00 0.00 C ATOM 701 CZ2 TRP A 47 -6.807 -3.898 5.341 1.00 0.00 C ATOM 702 CZ3 TRP A 47 -5.920 -3.840 3.087 1.00 0.00 C ATOM 703 CH2 TRP A 47 -6.213 -3.190 4.292 1.00 0.00 C ATOM 0 H TRP A 47 -7.086 -8.880 0.632 1.00 0.00 H new ATOM 0 HA TRP A 47 -9.129 -9.149 2.701 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -6.995 -9.375 3.605 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -6.269 -8.267 2.458 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -8.159 -8.346 5.773 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -7.997 -6.043 6.937 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -5.991 -5.693 1.990 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -7.034 -3.401 6.273 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -5.461 -3.291 2.278 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -5.980 -2.142 4.411 1.00 0.00 H new ATOM 714 N LEU A 48 -8.447 -6.187 1.426 1.00 0.00 N ATOM 715 CA LEU A 48 -8.988 -4.806 1.331 1.00 0.00 C ATOM 716 C LEU A 48 -10.444 -4.852 0.868 1.00 0.00 C ATOM 717 O LEU A 48 -11.292 -4.155 1.390 1.00 0.00 O ATOM 718 CB LEU A 48 -8.152 -4.019 0.321 1.00 0.00 C ATOM 719 CG LEU A 48 -8.565 -2.555 0.331 1.00 0.00 C ATOM 720 CD1 LEU A 48 -7.747 -1.821 1.386 1.00 0.00 C ATOM 721 CD2 LEU A 48 -8.293 -1.945 -1.045 1.00 0.00 C ATOM 0 H LEU A 48 -7.617 -6.367 0.861 1.00 0.00 H new ATOM 0 HA LEU A 48 -8.943 -4.323 2.307 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.093 -4.108 0.565 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -8.285 -4.436 -0.677 1.00 0.00 H new ATOM 0 HG LEU A 48 -9.627 -2.467 0.561 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -8.034 -0.770 1.403 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -7.934 -2.264 2.364 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.687 -1.904 1.147 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -8.588 -0.896 -1.042 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.230 -2.023 -1.274 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.867 -2.481 -1.801 1.00 0.00 H new ATOM 733 N GLU A 49 -10.746 -5.668 -0.102 1.00 0.00 N ATOM 734 CA GLU A 49 -12.152 -5.754 -0.583 1.00 0.00 C ATOM 735 C GLU A 49 -13.034 -6.295 0.541 1.00 0.00 C ATOM 736 O GLU A 49 -14.136 -5.835 0.758 1.00 0.00 O ATOM 737 CB GLU A 49 -12.220 -6.694 -1.792 1.00 0.00 C ATOM 738 CG GLU A 49 -13.678 -7.058 -2.086 1.00 0.00 C ATOM 739 CD GLU A 49 -13.985 -8.447 -1.521 1.00 0.00 C ATOM 740 OE1 GLU A 49 -13.157 -9.328 -1.683 1.00 0.00 O ATOM 741 OE2 GLU A 49 -15.044 -8.605 -0.936 1.00 0.00 O ATOM 0 H GLU A 49 -10.083 -6.277 -0.581 1.00 0.00 H new ATOM 0 HA GLU A 49 -12.503 -4.765 -0.877 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -11.773 -6.214 -2.663 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -11.643 -7.597 -1.595 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -14.344 -6.318 -1.642 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -13.857 -7.044 -3.161 1.00 0.00 H new ATOM 748 N ASP A 50 -12.554 -7.272 1.257 1.00 0.00 N ATOM 749 CA ASP A 50 -13.357 -7.852 2.368 1.00 0.00 C ATOM 750 C ASP A 50 -13.525 -6.832 3.496 1.00 0.00 C ATOM 751 O ASP A 50 -14.602 -6.645 4.025 1.00 0.00 O ATOM 752 CB ASP A 50 -12.634 -9.081 2.911 1.00 0.00 C ATOM 753 CG ASP A 50 -13.535 -9.807 3.912 1.00 0.00 C ATOM 754 OD1 ASP A 50 -14.676 -9.399 4.056 1.00 0.00 O ATOM 755 OD2 ASP A 50 -13.068 -10.758 4.518 1.00 0.00 O ATOM 0 H ASP A 50 -11.636 -7.695 1.120 1.00 0.00 H new ATOM 0 HA ASP A 50 -14.342 -8.125 1.990 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -12.369 -9.751 2.093 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.703 -8.784 3.394 1.00 0.00 H new ATOM 760 N ARG A 51 -12.459 -6.189 3.882 1.00 0.00 N ATOM 761 CA ARG A 51 -12.540 -5.199 4.994 1.00 0.00 C ATOM 762 C ARG A 51 -13.458 -4.030 4.624 1.00 0.00 C ATOM 763 O ARG A 51 -14.238 -3.570 5.435 1.00 0.00 O ATOM 764 CB ARG A 51 -11.140 -4.666 5.299 1.00 0.00 C ATOM 765 CG ARG A 51 -11.200 -3.745 6.519 1.00 0.00 C ATOM 766 CD ARG A 51 -9.802 -3.203 6.820 1.00 0.00 C ATOM 767 NE ARG A 51 -9.843 -2.386 8.065 1.00 0.00 N ATOM 768 CZ ARG A 51 -8.944 -1.462 8.268 1.00 0.00 C ATOM 769 NH1 ARG A 51 -8.009 -1.254 7.382 1.00 0.00 N ATOM 770 NH2 ARG A 51 -8.981 -0.745 9.358 1.00 0.00 N ATOM 0 H ARG A 51 -11.531 -6.306 3.474 1.00 0.00 H new ATOM 0 HA ARG A 51 -12.953 -5.698 5.871 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -10.457 -5.494 5.488 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -10.751 -4.122 4.438 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -11.888 -2.921 6.332 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -11.583 -4.291 7.381 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -9.098 -4.027 6.936 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -9.448 -2.597 5.986 1.00 0.00 H new ATOM 0 HE ARG A 51 -10.573 -2.549 8.758 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -7.980 -1.814 6.530 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -7.307 -0.532 7.542 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -9.712 -0.907 10.050 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -8.279 -0.023 9.517 1.00 0.00 H new ATOM 784 N PHE A 52 -13.364 -3.528 3.421 1.00 0.00 N ATOM 785 CA PHE A 52 -14.219 -2.375 3.030 1.00 0.00 C ATOM 786 C PHE A 52 -15.360 -2.837 2.121 1.00 0.00 C ATOM 787 O PHE A 52 -16.225 -2.063 1.762 1.00 0.00 O ATOM 788 CB PHE A 52 -13.356 -1.355 2.291 1.00 0.00 C ATOM 789 CG PHE A 52 -12.314 -0.809 3.236 1.00 0.00 C ATOM 790 CD1 PHE A 52 -12.652 0.206 4.137 1.00 0.00 C ATOM 791 CD2 PHE A 52 -11.012 -1.323 3.215 1.00 0.00 C ATOM 792 CE1 PHE A 52 -11.687 0.710 5.018 1.00 0.00 C ATOM 793 CE2 PHE A 52 -10.047 -0.820 4.096 1.00 0.00 C ATOM 794 CZ PHE A 52 -10.385 0.196 4.997 1.00 0.00 C ATOM 0 H PHE A 52 -12.733 -3.867 2.695 1.00 0.00 H new ATOM 0 HA PHE A 52 -14.652 -1.926 3.924 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -12.875 -1.822 1.431 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -13.977 -0.545 1.908 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -13.657 0.601 4.153 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -10.752 -2.107 2.519 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -11.947 1.495 5.713 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -9.042 -1.216 4.080 1.00 0.00 H new ATOM 0 HZ PHE A 52 -9.641 0.584 5.677 1.00 0.00 H new ATOM 804 N GLY A 53 -15.378 -4.084 1.746 1.00 0.00 N ATOM 805 CA GLY A 53 -16.476 -4.568 0.861 1.00 0.00 C ATOM 806 C GLY A 53 -16.342 -3.908 -0.512 1.00 0.00 C ATOM 807 O GLY A 53 -17.319 -3.677 -1.197 1.00 0.00 O ATOM 0 H GLY A 53 -14.687 -4.786 2.010 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -16.429 -5.653 0.763 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -17.445 -4.329 1.300 1.00 0.00 H new ATOM 811 N ILE A 54 -15.141 -3.593 -0.916 1.00 0.00 N ATOM 812 CA ILE A 54 -14.949 -2.937 -2.241 1.00 0.00 C ATOM 813 C ILE A 54 -14.414 -3.957 -3.246 1.00 0.00 C ATOM 814 O ILE A 54 -13.479 -4.680 -2.973 1.00 0.00 O ATOM 815 CB ILE A 54 -13.939 -1.799 -2.095 1.00 0.00 C ATOM 816 CG1 ILE A 54 -14.410 -0.839 -1.001 1.00 0.00 C ATOM 817 CG2 ILE A 54 -13.825 -1.044 -3.420 1.00 0.00 C ATOM 818 CD1 ILE A 54 -13.275 0.124 -0.652 1.00 0.00 C ATOM 0 H ILE A 54 -14.286 -3.761 -0.387 1.00 0.00 H new ATOM 0 HA ILE A 54 -15.903 -2.545 -2.594 1.00 0.00 H new ATOM 0 HB ILE A 54 -12.966 -2.209 -1.826 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -15.283 -0.282 -1.341 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -14.713 -1.398 -0.116 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -13.105 -0.233 -3.316 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -13.491 -1.727 -4.201 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -14.798 -0.633 -3.689 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -13.607 0.810 0.127 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -12.414 -0.442 -0.295 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -12.994 0.691 -1.539 1.00 0.00 H new ATOM 830 N ALA A 55 -14.999 -4.017 -4.410 1.00 0.00 N ATOM 831 CA ALA A 55 -14.524 -4.988 -5.434 1.00 0.00 C ATOM 832 C ALA A 55 -13.079 -4.660 -5.812 1.00 0.00 C ATOM 833 O ALA A 55 -12.652 -3.525 -5.742 1.00 0.00 O ATOM 834 CB ALA A 55 -15.410 -4.893 -6.678 1.00 0.00 C ATOM 0 H ALA A 55 -15.786 -3.435 -4.696 1.00 0.00 H new ATOM 0 HA ALA A 55 -14.575 -5.999 -5.029 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -15.062 -5.604 -7.428 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -16.441 -5.124 -6.409 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -15.359 -3.883 -7.085 1.00 0.00 H new ATOM 840 N ALA A 56 -12.321 -5.645 -6.209 1.00 0.00 N ATOM 841 CA ALA A 56 -10.905 -5.385 -6.586 1.00 0.00 C ATOM 842 C ALA A 56 -10.865 -4.336 -7.698 1.00 0.00 C ATOM 843 O ALA A 56 -9.938 -3.557 -7.798 1.00 0.00 O ATOM 844 CB ALA A 56 -10.262 -6.682 -7.082 1.00 0.00 C ATOM 0 H ALA A 56 -12.621 -6.617 -6.288 1.00 0.00 H new ATOM 0 HA ALA A 56 -10.356 -5.019 -5.718 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -9.225 -6.492 -7.358 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -10.295 -7.430 -6.290 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -10.807 -7.049 -7.951 1.00 0.00 H new ATOM 850 N ASP A 57 -11.868 -4.309 -8.533 1.00 0.00 N ATOM 851 CA ASP A 57 -11.897 -3.309 -9.638 1.00 0.00 C ATOM 852 C ASP A 57 -10.612 -3.412 -10.461 1.00 0.00 C ATOM 853 O ASP A 57 -9.987 -2.420 -10.779 1.00 0.00 O ATOM 854 CB ASP A 57 -12.019 -1.903 -9.053 1.00 0.00 C ATOM 855 CG ASP A 57 -13.366 -1.759 -8.343 1.00 0.00 C ATOM 856 OD1 ASP A 57 -14.218 -2.606 -8.555 1.00 0.00 O ATOM 857 OD2 ASP A 57 -13.522 -0.805 -7.599 1.00 0.00 O ATOM 0 H ASP A 57 -12.670 -4.938 -8.497 1.00 0.00 H new ATOM 0 HA ASP A 57 -12.754 -3.509 -10.282 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -11.205 -1.718 -8.352 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -11.933 -1.160 -9.845 1.00 0.00 H new ATOM 862 N ASP A 58 -10.213 -4.604 -10.811 1.00 0.00 N ATOM 863 CA ASP A 58 -8.969 -4.764 -11.614 1.00 0.00 C ATOM 864 C ASP A 58 -9.286 -4.541 -13.094 1.00 0.00 C ATOM 865 O ASP A 58 -10.042 -5.280 -13.693 1.00 0.00 O ATOM 866 CB ASP A 58 -8.413 -6.173 -11.418 1.00 0.00 C ATOM 867 CG ASP A 58 -7.066 -6.296 -12.132 1.00 0.00 C ATOM 868 OD1 ASP A 58 -6.590 -5.291 -12.635 1.00 0.00 O ATOM 869 OD2 ASP A 58 -6.533 -7.393 -12.163 1.00 0.00 O ATOM 0 H ASP A 58 -10.694 -5.472 -10.576 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.229 -4.034 -11.287 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.293 -6.383 -10.355 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -9.113 -6.909 -11.812 1.00 0.00 H new ATOM 874 N VAL A 59 -8.712 -3.527 -13.687 1.00 0.00 N ATOM 875 CA VAL A 59 -8.976 -3.252 -15.129 1.00 0.00 C ATOM 876 C VAL A 59 -7.649 -3.163 -15.883 1.00 0.00 C ATOM 877 O VAL A 59 -7.497 -3.709 -16.958 1.00 0.00 O ATOM 878 CB VAL A 59 -9.730 -1.927 -15.265 1.00 0.00 C ATOM 879 CG1 VAL A 59 -9.337 -0.994 -14.119 1.00 0.00 C ATOM 880 CG2 VAL A 59 -9.372 -1.271 -16.601 1.00 0.00 C ATOM 0 H VAL A 59 -8.071 -2.877 -13.233 1.00 0.00 H new ATOM 0 HA VAL A 59 -9.578 -4.058 -15.548 1.00 0.00 H new ATOM 0 HB VAL A 59 -10.803 -2.116 -15.227 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -9.875 -0.051 -14.217 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -9.592 -1.460 -13.167 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -8.264 -0.805 -14.155 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -9.909 -0.327 -16.698 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -8.299 -1.084 -16.638 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -9.653 -1.934 -17.419 1.00 0.00 H new ATOM 890 N GLU A 60 -6.687 -2.481 -15.328 1.00 0.00 N ATOM 891 CA GLU A 60 -5.369 -2.357 -16.012 1.00 0.00 C ATOM 892 C GLU A 60 -4.376 -1.650 -15.088 1.00 0.00 C ATOM 893 O GLU A 60 -4.180 -0.454 -15.172 1.00 0.00 O ATOM 894 CB GLU A 60 -5.536 -1.545 -17.298 1.00 0.00 C ATOM 895 CG GLU A 60 -4.221 -1.533 -18.068 1.00 0.00 C ATOM 896 CD GLU A 60 -4.356 -0.639 -19.302 1.00 0.00 C ATOM 897 OE1 GLU A 60 -5.420 -0.070 -19.482 1.00 0.00 O ATOM 898 OE2 GLU A 60 -3.394 -0.539 -20.045 1.00 0.00 O ATOM 0 H GLU A 60 -6.756 -2.003 -14.429 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.993 -3.351 -16.255 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.326 -1.977 -17.913 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.839 -0.525 -17.060 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.417 -1.168 -17.429 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.955 -2.546 -18.368 1.00 0.00 H new ATOM 905 N LEU A 61 -3.747 -2.379 -14.209 1.00 0.00 N ATOM 906 CA LEU A 61 -2.766 -1.749 -13.283 1.00 0.00 C ATOM 907 C LEU A 61 -1.353 -1.926 -13.842 1.00 0.00 C ATOM 908 O LEU A 61 -1.031 -2.941 -14.428 1.00 0.00 O ATOM 909 CB LEU A 61 -2.862 -2.411 -11.907 1.00 0.00 C ATOM 910 CG LEU A 61 -4.255 -2.175 -11.324 1.00 0.00 C ATOM 911 CD1 LEU A 61 -5.301 -2.934 -12.145 1.00 0.00 C ATOM 912 CD2 LEU A 61 -4.291 -2.666 -9.875 1.00 0.00 C ATOM 0 H LEU A 61 -3.870 -3.385 -14.092 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.987 -0.686 -13.187 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.668 -3.480 -11.992 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.103 -2.001 -11.241 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.480 -1.109 -11.356 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -6.291 -2.760 -11.723 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -5.280 -2.582 -13.176 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -5.078 -4.001 -12.121 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.284 -2.498 -9.458 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.061 -3.731 -9.846 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.554 -2.119 -9.287 1.00 0.00 H new ATOM 924 N SER A 62 -0.510 -0.944 -13.667 1.00 0.00 N ATOM 925 CA SER A 62 0.882 -1.047 -14.188 1.00 0.00 C ATOM 926 C SER A 62 1.873 -0.725 -13.067 1.00 0.00 C ATOM 927 O SER A 62 1.517 -0.144 -12.061 1.00 0.00 O ATOM 928 CB SER A 62 1.069 -0.052 -15.334 1.00 0.00 C ATOM 929 OG SER A 62 1.263 -0.765 -16.548 1.00 0.00 O ATOM 0 H SER A 62 -0.727 -0.072 -13.184 1.00 0.00 H new ATOM 0 HA SER A 62 1.061 -2.059 -14.550 1.00 0.00 H new ATOM 0 HB2 SER A 62 0.196 0.596 -15.415 1.00 0.00 H new ATOM 0 HB3 SER A 62 1.926 0.592 -15.136 1.00 0.00 H new ATOM 0 HG SER A 62 1.381 -0.130 -17.285 1.00 0.00 H new ATOM 935 N PRO A 63 3.110 -1.102 -13.246 1.00 0.00 N ATOM 936 CA PRO A 63 4.183 -0.854 -12.240 1.00 0.00 C ATOM 937 C PRO A 63 4.381 0.640 -11.971 1.00 0.00 C ATOM 938 O PRO A 63 4.873 1.037 -10.933 1.00 0.00 O ATOM 939 CB PRO A 63 5.445 -1.457 -12.870 1.00 0.00 C ATOM 940 CG PRO A 63 5.135 -1.642 -14.320 1.00 0.00 C ATOM 941 CD PRO A 63 3.622 -1.803 -14.430 1.00 0.00 C ATOM 0 HA PRO A 63 3.936 -1.296 -11.275 1.00 0.00 H new ATOM 0 HB2 PRO A 63 6.302 -0.797 -12.736 1.00 0.00 H new ATOM 0 HB3 PRO A 63 5.699 -2.408 -12.401 1.00 0.00 H new ATOM 0 HG2 PRO A 63 5.476 -0.785 -14.901 1.00 0.00 H new ATOM 0 HG3 PRO A 63 5.647 -2.519 -14.716 1.00 0.00 H new ATOM 0 HD2 PRO A 63 3.239 -1.365 -15.352 1.00 0.00 H new ATOM 0 HD3 PRO A 63 3.330 -2.853 -14.431 1.00 0.00 H new ATOM 949 N GLU A 64 4.000 1.471 -12.903 1.00 0.00 N ATOM 950 CA GLU A 64 4.162 2.939 -12.710 1.00 0.00 C ATOM 951 C GLU A 64 3.325 3.399 -11.516 1.00 0.00 C ATOM 952 O GLU A 64 3.664 4.348 -10.837 1.00 0.00 O ATOM 953 CB GLU A 64 3.700 3.672 -13.968 1.00 0.00 C ATOM 954 CG GLU A 64 4.607 3.304 -15.137 1.00 0.00 C ATOM 955 CD GLU A 64 4.187 4.091 -16.379 1.00 0.00 C ATOM 956 OE1 GLU A 64 3.149 4.730 -16.329 1.00 0.00 O ATOM 957 OE2 GLU A 64 4.911 4.042 -17.360 1.00 0.00 O ATOM 0 H GLU A 64 3.583 1.195 -13.792 1.00 0.00 H new ATOM 0 HA GLU A 64 5.212 3.163 -12.521 1.00 0.00 H new ATOM 0 HB2 GLU A 64 2.668 3.406 -14.198 1.00 0.00 H new ATOM 0 HB3 GLU A 64 3.722 4.749 -13.802 1.00 0.00 H new ATOM 0 HG2 GLU A 64 5.645 3.524 -14.888 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.547 2.234 -15.334 1.00 0.00 H new ATOM 964 N HIS A 65 2.230 2.739 -11.255 1.00 0.00 N ATOM 965 CA HIS A 65 1.372 3.145 -10.106 1.00 0.00 C ATOM 966 C HIS A 65 2.107 2.874 -8.793 1.00 0.00 C ATOM 967 O HIS A 65 1.868 3.520 -7.792 1.00 0.00 O ATOM 968 CB HIS A 65 0.068 2.346 -10.133 1.00 0.00 C ATOM 969 CG HIS A 65 -0.789 2.752 -8.967 1.00 0.00 C ATOM 970 ND1 HIS A 65 -1.246 4.052 -8.800 1.00 0.00 N ATOM 971 CD2 HIS A 65 -1.279 2.042 -7.897 1.00 0.00 C ATOM 972 CE1 HIS A 65 -1.974 4.085 -7.668 1.00 0.00 C ATOM 973 NE2 HIS A 65 -2.024 2.887 -7.083 1.00 0.00 N ATOM 0 H HIS A 65 1.893 1.937 -11.787 1.00 0.00 H new ATOM 0 HA HIS A 65 1.149 4.209 -10.183 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -0.462 2.525 -11.068 1.00 0.00 H new ATOM 0 HB3 HIS A 65 0.282 1.278 -10.087 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -1.111 0.990 -7.717 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -2.457 4.970 -7.282 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -2.508 2.642 -6.219 1.00 0.00 H new ATOM 982 N PHE A 66 2.999 1.924 -8.788 1.00 0.00 N ATOM 983 CA PHE A 66 3.747 1.611 -7.538 1.00 0.00 C ATOM 984 C PHE A 66 5.100 2.324 -7.570 1.00 0.00 C ATOM 985 O PHE A 66 5.939 2.127 -6.714 1.00 0.00 O ATOM 986 CB PHE A 66 3.958 0.100 -7.446 1.00 0.00 C ATOM 987 CG PHE A 66 2.615 -0.587 -7.479 1.00 0.00 C ATOM 988 CD1 PHE A 66 2.048 -0.949 -8.707 1.00 0.00 C ATOM 989 CD2 PHE A 66 1.930 -0.852 -6.287 1.00 0.00 C ATOM 990 CE1 PHE A 66 0.800 -1.578 -8.744 1.00 0.00 C ATOM 991 CE2 PHE A 66 0.680 -1.481 -6.324 1.00 0.00 C ATOM 992 CZ PHE A 66 0.115 -1.844 -7.553 1.00 0.00 C ATOM 0 H PHE A 66 3.243 1.350 -9.595 1.00 0.00 H new ATOM 0 HA PHE A 66 3.182 1.950 -6.670 1.00 0.00 H new ATOM 0 HB2 PHE A 66 4.577 -0.245 -8.274 1.00 0.00 H new ATOM 0 HB3 PHE A 66 4.487 -0.151 -6.526 1.00 0.00 H new ATOM 0 HD1 PHE A 66 2.575 -0.742 -9.627 1.00 0.00 H new ATOM 0 HD2 PHE A 66 2.366 -0.571 -5.340 1.00 0.00 H new ATOM 0 HE1 PHE A 66 0.365 -1.859 -9.692 1.00 0.00 H new ATOM 0 HE2 PHE A 66 0.151 -1.686 -5.405 1.00 0.00 H new ATOM 0 HZ PHE A 66 -0.849 -2.329 -7.582 1.00 0.00 H new ATOM 1002 N ARG A 67 5.315 3.153 -8.554 1.00 0.00 N ATOM 1003 CA ARG A 67 6.610 3.884 -8.651 1.00 0.00 C ATOM 1004 C ARG A 67 6.863 4.648 -7.351 1.00 0.00 C ATOM 1005 O ARG A 67 7.987 4.783 -6.911 1.00 0.00 O ATOM 1006 CB ARG A 67 6.550 4.868 -9.827 1.00 0.00 C ATOM 1007 CG ARG A 67 7.900 5.571 -10.014 1.00 0.00 C ATOM 1008 CD ARG A 67 8.879 4.653 -10.754 1.00 0.00 C ATOM 1009 NE ARG A 67 10.162 5.377 -10.979 1.00 0.00 N ATOM 1010 CZ ARG A 67 10.256 6.253 -11.941 1.00 0.00 C ATOM 1011 NH1 ARG A 67 9.227 6.495 -12.707 1.00 0.00 N ATOM 1012 NH2 ARG A 67 11.380 6.887 -12.139 1.00 0.00 N ATOM 0 H ARG A 67 4.647 3.356 -9.298 1.00 0.00 H new ATOM 0 HA ARG A 67 7.421 3.174 -8.814 1.00 0.00 H new ATOM 0 HB2 ARG A 67 6.282 4.336 -10.740 1.00 0.00 H new ATOM 0 HB3 ARG A 67 5.770 5.608 -9.649 1.00 0.00 H new ATOM 0 HG2 ARG A 67 7.762 6.495 -10.575 1.00 0.00 H new ATOM 0 HG3 ARG A 67 8.312 5.846 -9.043 1.00 0.00 H new ATOM 0 HD2 ARG A 67 9.056 3.748 -10.173 1.00 0.00 H new ATOM 0 HD3 ARG A 67 8.453 4.341 -11.707 1.00 0.00 H new ATOM 0 HE ARG A 67 10.966 5.188 -10.381 1.00 0.00 H new ATOM 0 HH11 ARG A 67 8.349 5.999 -12.553 1.00 0.00 H new ATOM 0 HH12 ARG A 67 9.301 7.180 -13.459 1.00 0.00 H new ATOM 0 HH21 ARG A 67 12.185 6.697 -11.541 1.00 0.00 H new ATOM 0 HH22 ARG A 67 11.454 7.572 -12.891 1.00 0.00 H new ATOM 1026 N SER A 68 5.831 5.155 -6.734 1.00 0.00 N ATOM 1027 CA SER A 68 6.026 5.913 -5.464 1.00 0.00 C ATOM 1028 C SER A 68 4.837 5.684 -4.529 1.00 0.00 C ATOM 1029 O SER A 68 3.732 5.425 -4.962 1.00 0.00 O ATOM 1030 CB SER A 68 6.145 7.405 -5.778 1.00 0.00 C ATOM 1031 OG SER A 68 4.890 7.888 -6.240 1.00 0.00 O ATOM 0 H SER A 68 4.865 5.078 -7.052 1.00 0.00 H new ATOM 0 HA SER A 68 6.936 5.565 -4.976 1.00 0.00 H new ATOM 0 HB2 SER A 68 6.453 7.953 -4.887 1.00 0.00 H new ATOM 0 HB3 SER A 68 6.912 7.569 -6.535 1.00 0.00 H new ATOM 0 HG SER A 68 4.962 8.844 -6.441 1.00 0.00 H new ATOM 1037 N ILE A 69 5.058 5.785 -3.246 1.00 0.00 N ATOM 1038 CA ILE A 69 3.956 5.585 -2.272 1.00 0.00 C ATOM 1039 C ILE A 69 2.917 6.699 -2.423 1.00 0.00 C ATOM 1040 O ILE A 69 1.732 6.483 -2.264 1.00 0.00 O ATOM 1041 CB ILE A 69 4.536 5.616 -0.860 1.00 0.00 C ATOM 1042 CG1 ILE A 69 5.561 4.498 -0.706 1.00 0.00 C ATOM 1043 CG2 ILE A 69 3.422 5.405 0.149 1.00 0.00 C ATOM 1044 CD1 ILE A 69 6.294 4.649 0.628 1.00 0.00 C ATOM 0 H ILE A 69 5.965 6.000 -2.831 1.00 0.00 H new ATOM 0 HA ILE A 69 3.474 4.625 -2.457 1.00 0.00 H new ATOM 0 HB ILE A 69 5.013 6.581 -0.688 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.065 3.528 -0.751 1.00 0.00 H new ATOM 0 HG13 ILE A 69 6.274 4.530 -1.529 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.835 5.427 1.157 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.681 6.197 0.043 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.949 4.439 -0.028 1.00 0.00 H new ATOM 0 HD11 ILE A 69 7.026 3.848 0.734 1.00 0.00 H new ATOM 0 HD12 ILE A 69 6.804 5.612 0.656 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.576 4.595 1.446 1.00 0.00 H new ATOM 1056 N ARG A 70 3.355 7.895 -2.711 1.00 0.00 N ATOM 1057 CA ARG A 70 2.399 9.030 -2.852 1.00 0.00 C ATOM 1058 C ARG A 70 1.397 8.747 -3.975 1.00 0.00 C ATOM 1059 O ARG A 70 0.229 9.060 -3.863 1.00 0.00 O ATOM 1060 CB ARG A 70 3.175 10.308 -3.178 1.00 0.00 C ATOM 1061 CG ARG A 70 2.213 11.496 -3.212 1.00 0.00 C ATOM 1062 CD ARG A 70 2.993 12.777 -3.514 1.00 0.00 C ATOM 1063 NE ARG A 70 3.486 12.738 -4.919 1.00 0.00 N ATOM 1064 CZ ARG A 70 4.373 13.605 -5.325 1.00 0.00 C ATOM 1065 NH1 ARG A 70 4.829 14.507 -4.499 1.00 0.00 N ATOM 1066 NH2 ARG A 70 4.804 13.571 -6.556 1.00 0.00 N ATOM 0 H ARG A 70 4.336 8.135 -2.855 1.00 0.00 H new ATOM 0 HA ARG A 70 1.855 9.152 -1.915 1.00 0.00 H new ATOM 0 HB2 ARG A 70 3.950 10.476 -2.430 1.00 0.00 H new ATOM 0 HB3 ARG A 70 3.677 10.206 -4.140 1.00 0.00 H new ATOM 0 HG2 ARG A 70 1.448 11.336 -3.972 1.00 0.00 H new ATOM 0 HG3 ARG A 70 1.698 11.588 -2.256 1.00 0.00 H new ATOM 0 HD2 ARG A 70 2.355 13.648 -3.365 1.00 0.00 H new ATOM 0 HD3 ARG A 70 3.832 12.876 -2.825 1.00 0.00 H new ATOM 0 HE ARG A 70 3.130 12.033 -5.564 1.00 0.00 H new ATOM 0 HH11 ARG A 70 4.492 14.534 -3.537 1.00 0.00 H new ATOM 0 HH12 ARG A 70 5.522 15.185 -4.816 1.00 0.00 H new ATOM 0 HH21 ARG A 70 4.448 12.866 -7.202 1.00 0.00 H new ATOM 0 HH22 ARG A 70 5.497 14.249 -6.873 1.00 0.00 H new ATOM 1080 N SER A 71 1.835 8.164 -5.057 1.00 0.00 N ATOM 1081 CA SER A 71 0.892 7.879 -6.171 1.00 0.00 C ATOM 1082 C SER A 71 -0.246 6.992 -5.661 1.00 0.00 C ATOM 1083 O SER A 71 -1.405 7.227 -5.943 1.00 0.00 O ATOM 1084 CB SER A 71 1.641 7.157 -7.289 1.00 0.00 C ATOM 1085 OG SER A 71 2.782 7.920 -7.659 1.00 0.00 O ATOM 0 H SER A 71 2.800 7.875 -5.216 1.00 0.00 H new ATOM 0 HA SER A 71 0.479 8.813 -6.551 1.00 0.00 H new ATOM 0 HB2 SER A 71 1.945 6.164 -6.957 1.00 0.00 H new ATOM 0 HB3 SER A 71 0.987 7.018 -8.150 1.00 0.00 H new ATOM 0 HG SER A 71 3.576 7.560 -7.210 1.00 0.00 H new ATOM 1091 N ILE A 72 0.075 5.980 -4.903 1.00 0.00 N ATOM 1092 CA ILE A 72 -0.979 5.086 -4.364 1.00 0.00 C ATOM 1093 C ILE A 72 -1.823 5.852 -3.345 1.00 0.00 C ATOM 1094 O ILE A 72 -3.024 5.688 -3.266 1.00 0.00 O ATOM 1095 CB ILE A 72 -0.313 3.891 -3.684 1.00 0.00 C ATOM 1096 CG1 ILE A 72 0.546 3.138 -4.703 1.00 0.00 C ATOM 1097 CG2 ILE A 72 -1.387 2.959 -3.138 1.00 0.00 C ATOM 1098 CD1 ILE A 72 1.315 2.021 -3.995 1.00 0.00 C ATOM 0 H ILE A 72 1.028 5.736 -4.634 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.622 4.738 -5.173 1.00 0.00 H new ATOM 0 HB ILE A 72 0.317 4.241 -2.866 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -0.084 2.719 -5.487 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.242 3.824 -5.186 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.915 2.105 -2.652 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -2.000 3.495 -2.414 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -2.015 2.609 -3.957 1.00 0.00 H new ATOM 0 HD11 ILE A 72 1.927 1.484 -4.720 1.00 0.00 H new ATOM 0 HD12 ILE A 72 1.957 2.452 -3.227 1.00 0.00 H new ATOM 0 HD13 ILE A 72 0.610 1.330 -3.533 1.00 0.00 H new ATOM 1110 N ASP A 73 -1.195 6.682 -2.557 1.00 0.00 N ATOM 1111 CA ASP A 73 -1.947 7.457 -1.531 1.00 0.00 C ATOM 1112 C ASP A 73 -3.050 8.281 -2.196 1.00 0.00 C ATOM 1113 O ASP A 73 -4.143 8.401 -1.678 1.00 0.00 O ATOM 1114 CB ASP A 73 -0.984 8.398 -0.805 1.00 0.00 C ATOM 1115 CG ASP A 73 -1.709 9.069 0.362 1.00 0.00 C ATOM 1116 OD1 ASP A 73 -2.886 8.798 0.536 1.00 0.00 O ATOM 1117 OD2 ASP A 73 -1.076 9.842 1.062 1.00 0.00 O ATOM 0 H ASP A 73 -0.190 6.857 -2.580 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.399 6.764 -0.821 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -0.121 7.841 -0.439 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -0.607 9.153 -1.495 1.00 0.00 H new ATOM 1122 N ALA A 74 -2.776 8.859 -3.332 1.00 0.00 N ATOM 1123 CA ALA A 74 -3.815 9.682 -4.011 1.00 0.00 C ATOM 1124 C ALA A 74 -4.980 8.796 -4.447 1.00 0.00 C ATOM 1125 O ALA A 74 -6.131 9.165 -4.324 1.00 0.00 O ATOM 1126 CB ALA A 74 -3.205 10.365 -5.237 1.00 0.00 C ATOM 0 H ALA A 74 -1.881 8.798 -3.818 1.00 0.00 H new ATOM 0 HA ALA A 74 -4.182 10.438 -3.317 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -3.965 10.967 -5.734 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -2.381 11.007 -4.924 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.833 9.608 -5.928 1.00 0.00 H new ATOM 1132 N PHE A 75 -4.698 7.630 -4.954 1.00 0.00 N ATOM 1133 CA PHE A 75 -5.802 6.732 -5.394 1.00 0.00 C ATOM 1134 C PHE A 75 -6.673 6.367 -4.192 1.00 0.00 C ATOM 1135 O PHE A 75 -7.884 6.467 -4.236 1.00 0.00 O ATOM 1136 CB PHE A 75 -5.217 5.461 -6.004 1.00 0.00 C ATOM 1137 CG PHE A 75 -6.334 4.601 -6.544 1.00 0.00 C ATOM 1138 CD1 PHE A 75 -6.835 4.829 -7.831 1.00 0.00 C ATOM 1139 CD2 PHE A 75 -6.869 3.574 -5.756 1.00 0.00 C ATOM 1140 CE1 PHE A 75 -7.871 4.031 -8.331 1.00 0.00 C ATOM 1141 CE2 PHE A 75 -7.905 2.776 -6.256 1.00 0.00 C ATOM 1142 CZ PHE A 75 -8.406 3.004 -7.544 1.00 0.00 C ATOM 0 H PHE A 75 -3.756 7.260 -5.083 1.00 0.00 H new ATOM 0 HA PHE A 75 -6.409 7.245 -6.140 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -4.521 5.716 -6.803 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -4.651 4.911 -5.252 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -6.422 5.621 -8.439 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -6.482 3.398 -4.763 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -8.258 4.208 -9.324 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -8.318 1.984 -5.648 1.00 0.00 H new ATOM 0 HZ PHE A 75 -9.205 2.388 -7.930 1.00 0.00 H new ATOM 1152 N VAL A 76 -6.069 5.944 -3.115 1.00 0.00 N ATOM 1153 CA VAL A 76 -6.863 5.575 -1.917 1.00 0.00 C ATOM 1154 C VAL A 76 -7.539 6.820 -1.337 1.00 0.00 C ATOM 1155 O VAL A 76 -8.713 6.810 -1.030 1.00 0.00 O ATOM 1156 CB VAL A 76 -5.932 4.962 -0.872 1.00 0.00 C ATOM 1157 CG1 VAL A 76 -6.687 4.803 0.443 1.00 0.00 C ATOM 1158 CG2 VAL A 76 -5.457 3.590 -1.355 1.00 0.00 C ATOM 0 H VAL A 76 -5.059 5.839 -3.016 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.631 4.853 -2.196 1.00 0.00 H new ATOM 0 HB VAL A 76 -5.070 5.613 -0.723 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.026 4.366 1.191 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -7.029 5.779 0.787 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.547 4.150 0.292 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.793 3.152 -0.610 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -6.318 2.938 -1.502 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.921 3.702 -2.298 1.00 0.00 H new ATOM 1168 N VAL A 77 -6.814 7.896 -1.190 1.00 0.00 N ATOM 1169 CA VAL A 77 -7.425 9.131 -0.635 1.00 0.00 C ATOM 1170 C VAL A 77 -8.547 9.603 -1.557 1.00 0.00 C ATOM 1171 O VAL A 77 -9.578 10.067 -1.112 1.00 0.00 O ATOM 1172 CB VAL A 77 -6.357 10.216 -0.528 1.00 0.00 C ATOM 1173 CG1 VAL A 77 -7.030 11.564 -0.296 1.00 0.00 C ATOM 1174 CG2 VAL A 77 -5.428 9.905 0.648 1.00 0.00 C ATOM 0 H VAL A 77 -5.826 7.970 -1.431 1.00 0.00 H new ATOM 0 HA VAL A 77 -7.835 8.925 0.354 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.777 10.248 -1.451 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.270 12.342 -0.219 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -7.694 11.787 -1.131 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -7.607 11.528 0.628 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.665 10.680 0.724 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -6.007 9.874 1.571 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -4.949 8.939 0.488 1.00 0.00 H new ATOM 1184 N GLY A 78 -8.352 9.490 -2.840 1.00 0.00 N ATOM 1185 CA GLY A 78 -9.403 9.935 -3.794 1.00 0.00 C ATOM 1186 C GLY A 78 -10.710 9.189 -3.515 1.00 0.00 C ATOM 1187 O GLY A 78 -11.785 9.721 -3.708 1.00 0.00 O ATOM 0 H GLY A 78 -7.509 9.108 -3.269 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -9.560 11.009 -3.700 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -9.079 9.749 -4.818 1.00 0.00 H new ATOM 1191 N ALA A 79 -10.632 7.961 -3.071 1.00 0.00 N ATOM 1192 CA ALA A 79 -11.882 7.195 -2.795 1.00 0.00 C ATOM 1193 C ALA A 79 -12.135 7.114 -1.288 1.00 0.00 C ATOM 1194 O ALA A 79 -13.209 7.426 -0.813 1.00 0.00 O ATOM 1195 CB ALA A 79 -11.744 5.780 -3.361 1.00 0.00 C ATOM 0 H ALA A 79 -9.763 7.459 -2.889 1.00 0.00 H new ATOM 0 HA ALA A 79 -12.721 7.706 -3.268 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -12.656 5.218 -3.161 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -11.579 5.833 -4.437 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.898 5.280 -2.889 1.00 0.00 H new ATOM 1201 N THR A 80 -11.158 6.701 -0.532 1.00 0.00 N ATOM 1202 CA THR A 80 -11.351 6.605 0.943 1.00 0.00 C ATOM 1203 C THR A 80 -9.990 6.588 1.645 1.00 0.00 C ATOM 1204 O THR A 80 -9.014 6.100 1.113 1.00 0.00 O ATOM 1205 CB THR A 80 -12.117 5.321 1.273 1.00 0.00 C ATOM 1206 OG1 THR A 80 -12.557 5.369 2.623 1.00 0.00 O ATOM 1207 CG2 THR A 80 -11.207 4.109 1.071 1.00 0.00 C ATOM 0 H THR A 80 -10.236 6.426 -0.869 1.00 0.00 H new ATOM 0 HA THR A 80 -11.920 7.468 1.290 1.00 0.00 H new ATOM 0 HB THR A 80 -12.979 5.234 0.612 1.00 0.00 H new ATOM 0 HG1 THR A 80 -13.049 4.549 2.836 1.00 0.00 H new ATOM 0 HG21 THR A 80 -11.757 3.198 1.307 1.00 0.00 H new ATOM 0 HG22 THR A 80 -10.874 4.073 0.034 1.00 0.00 H new ATOM 0 HG23 THR A 80 -10.341 4.191 1.728 1.00 0.00 H new ATOM 1215 N THR A 81 -9.923 7.107 2.840 1.00 0.00 N ATOM 1216 CA THR A 81 -8.632 7.115 3.582 1.00 0.00 C ATOM 1217 C THR A 81 -8.863 6.582 5.001 1.00 0.00 C ATOM 1218 O THR A 81 -9.133 7.335 5.916 1.00 0.00 O ATOM 1219 CB THR A 81 -8.102 8.549 3.646 1.00 0.00 C ATOM 1220 OG1 THR A 81 -7.018 8.612 4.561 1.00 0.00 O ATOM 1221 CG2 THR A 81 -9.219 9.488 4.104 1.00 0.00 C ATOM 0 H THR A 81 -10.709 7.527 3.335 1.00 0.00 H new ATOM 0 HA THR A 81 -7.905 6.482 3.074 1.00 0.00 H new ATOM 0 HB THR A 81 -7.759 8.855 2.658 1.00 0.00 H new ATOM 0 HG1 THR A 81 -7.110 9.410 5.123 1.00 0.00 H new ATOM 0 HG21 THR A 81 -8.840 10.509 4.149 1.00 0.00 H new ATOM 0 HG22 THR A 81 -10.048 9.439 3.398 1.00 0.00 H new ATOM 0 HG23 THR A 81 -9.566 9.186 5.092 1.00 0.00 H new ATOM 1229 N PRO A 82 -8.767 5.289 5.180 1.00 0.00 N ATOM 1230 CA PRO A 82 -8.976 4.631 6.495 1.00 0.00 C ATOM 1231 C PRO A 82 -7.671 4.457 7.292 1.00 0.00 C ATOM 1232 O PRO A 82 -6.820 3.676 6.916 1.00 0.00 O ATOM 1233 CB PRO A 82 -9.515 3.264 6.085 1.00 0.00 C ATOM 1234 CG PRO A 82 -8.846 2.955 4.780 1.00 0.00 C ATOM 1235 CD PRO A 82 -8.454 4.296 4.142 1.00 0.00 C ATOM 0 HA PRO A 82 -9.628 5.212 7.148 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -9.284 2.508 6.835 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -10.599 3.284 5.977 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -7.966 2.332 4.937 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -9.517 2.399 4.126 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -7.397 4.317 3.875 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -9.018 4.483 3.228 1.00 0.00 H new ATOM 1243 N PRO A 83 -7.510 5.162 8.388 1.00 0.00 N ATOM 1244 CA PRO A 83 -6.287 5.049 9.229 1.00 0.00 C ATOM 1245 C PRO A 83 -6.327 3.810 10.130 1.00 0.00 C ATOM 1246 O PRO A 83 -7.341 3.498 10.723 1.00 0.00 O ATOM 1247 CB PRO A 83 -6.305 6.326 10.068 1.00 0.00 C ATOM 1248 CG PRO A 83 -7.743 6.720 10.169 1.00 0.00 C ATOM 1249 CD PRO A 83 -8.463 6.138 8.948 1.00 0.00 C ATOM 0 HA PRO A 83 -5.384 4.941 8.628 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -5.876 6.153 11.055 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -5.715 7.113 9.597 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -8.182 6.339 11.091 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -7.843 7.805 10.193 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -9.401 5.660 9.231 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -8.707 6.915 8.224 1.00 0.00 H new ATOM 1257 N VAL A 84 -5.235 3.101 10.237 1.00 0.00 N ATOM 1258 CA VAL A 84 -5.217 1.883 11.098 1.00 0.00 C ATOM 1259 C VAL A 84 -3.952 1.885 11.961 1.00 0.00 C ATOM 1260 O VAL A 84 -2.886 2.266 11.519 1.00 0.00 O ATOM 1261 CB VAL A 84 -5.237 0.636 10.212 1.00 0.00 C ATOM 1262 CG1 VAL A 84 -3.943 0.562 9.402 1.00 0.00 C ATOM 1263 CG2 VAL A 84 -5.365 -0.613 11.088 1.00 0.00 C ATOM 0 H VAL A 84 -4.355 3.312 9.766 1.00 0.00 H new ATOM 0 HA VAL A 84 -6.093 1.880 11.746 1.00 0.00 H new ATOM 0 HB VAL A 84 -6.087 0.690 9.532 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.959 -0.327 8.771 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -3.855 1.450 8.776 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.091 0.510 10.080 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -5.379 -1.501 10.456 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -4.517 -0.667 11.771 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -6.290 -0.562 11.662 1.00 0.00 H new ATOM 1273 N GLU A 85 -4.064 1.466 13.193 1.00 0.00 N ATOM 1274 CA GLU A 85 -2.872 1.448 14.089 1.00 0.00 C ATOM 1275 C GLU A 85 -1.830 0.459 13.556 1.00 0.00 C ATOM 1276 O GLU A 85 -0.641 0.674 13.677 1.00 0.00 O ATOM 1277 CB GLU A 85 -3.300 1.025 15.496 1.00 0.00 C ATOM 1278 CG GLU A 85 -4.240 2.080 16.082 1.00 0.00 C ATOM 1279 CD GLU A 85 -4.615 1.692 17.514 1.00 0.00 C ATOM 1280 OE1 GLU A 85 -4.288 0.585 17.911 1.00 0.00 O ATOM 1281 OE2 GLU A 85 -5.222 2.507 18.188 1.00 0.00 O ATOM 0 H GLU A 85 -4.930 1.135 13.618 1.00 0.00 H new ATOM 0 HA GLU A 85 -2.434 2.446 14.121 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -3.800 0.057 15.460 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -2.424 0.908 16.134 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -3.757 3.057 16.073 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -5.138 2.163 15.470 1.00 0.00 H new ATOM 1288 N ALA A 86 -2.264 -0.625 12.972 1.00 0.00 N ATOM 1289 CA ALA A 86 -1.290 -1.622 12.441 1.00 0.00 C ATOM 1290 C ALA A 86 -1.812 -2.203 11.125 1.00 0.00 C ATOM 1291 O ALA A 86 -2.999 -2.214 10.866 1.00 0.00 O ATOM 1292 CB ALA A 86 -1.111 -2.750 13.459 1.00 0.00 C ATOM 0 H ALA A 86 -3.247 -0.863 12.840 1.00 0.00 H new ATOM 0 HA ALA A 86 -0.332 -1.132 12.265 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -0.399 -3.480 13.072 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -0.736 -2.338 14.396 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -2.070 -3.237 13.635 1.00 0.00 H new ATOM 1298 N LYS A 87 -0.931 -2.684 10.289 1.00 0.00 N ATOM 1299 CA LYS A 87 -1.373 -3.262 8.989 1.00 0.00 C ATOM 1300 C LYS A 87 -2.342 -4.417 9.246 1.00 0.00 C ATOM 1301 O LYS A 87 -3.300 -4.608 8.524 1.00 0.00 O ATOM 1302 CB LYS A 87 -0.155 -3.779 8.217 1.00 0.00 C ATOM 1303 CG LYS A 87 -0.578 -4.188 6.804 1.00 0.00 C ATOM 1304 CD LYS A 87 0.623 -4.779 6.060 1.00 0.00 C ATOM 1305 CE LYS A 87 0.283 -4.926 4.575 1.00 0.00 C ATOM 1306 NZ LYS A 87 -1.194 -5.035 4.410 1.00 0.00 N ATOM 0 H LYS A 87 0.076 -2.701 10.451 1.00 0.00 H new ATOM 0 HA LYS A 87 -1.874 -2.492 8.402 1.00 0.00 H new ATOM 0 HB2 LYS A 87 0.612 -3.006 8.168 1.00 0.00 H new ATOM 0 HB3 LYS A 87 0.283 -4.631 8.737 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -1.385 -4.919 6.852 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -0.964 -3.323 6.264 1.00 0.00 H new ATOM 0 HD2 LYS A 87 1.493 -4.134 6.182 1.00 0.00 H new ATOM 0 HD3 LYS A 87 0.884 -5.750 6.482 1.00 0.00 H new ATOM 0 HE2 LYS A 87 0.659 -4.068 4.019 1.00 0.00 H new ATOM 0 HE3 LYS A 87 0.771 -5.810 4.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -1.411 -5.417 3.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -1.579 -5.671 5.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -1.625 -4.094 4.510 1.00 0.00 H new ATOM 1320 N LEU A 88 -2.102 -5.189 10.270 1.00 0.00 N ATOM 1321 CA LEU A 88 -3.010 -6.331 10.572 1.00 0.00 C ATOM 1322 C LEU A 88 -4.064 -5.890 11.590 1.00 0.00 C ATOM 1323 O LEU A 88 -3.784 -5.136 12.501 1.00 0.00 O ATOM 1324 CB LEU A 88 -2.196 -7.490 11.152 1.00 0.00 C ATOM 1325 CG LEU A 88 -1.059 -7.849 10.193 1.00 0.00 C ATOM 1326 CD1 LEU A 88 -0.312 -9.075 10.722 1.00 0.00 C ATOM 1327 CD2 LEU A 88 -1.637 -8.163 8.812 1.00 0.00 C ATOM 0 H LEU A 88 -1.316 -5.078 10.911 1.00 0.00 H new ATOM 0 HA LEU A 88 -3.503 -6.655 9.655 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.791 -7.212 12.125 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -2.839 -8.356 11.310 1.00 0.00 H new ATOM 0 HG LEU A 88 -0.370 -7.008 10.117 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.498 -9.330 10.039 1.00 0.00 H new ATOM 0 HD12 LEU A 88 0.100 -8.853 11.706 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.001 -9.916 10.798 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.828 -8.419 8.128 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -2.326 -9.004 8.889 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -2.169 -7.290 8.433 1.00 0.00 H new ATOM 1339 N GLN A 89 -5.275 -6.352 11.442 1.00 0.00 N ATOM 1340 CA GLN A 89 -6.345 -5.959 12.401 1.00 0.00 C ATOM 1341 C GLN A 89 -5.794 -6.005 13.827 1.00 0.00 C ATOM 1342 O GLN A 89 -6.336 -5.314 14.674 1.00 0.00 O ATOM 1343 CB GLN A 89 -7.522 -6.929 12.277 1.00 0.00 C ATOM 1344 CG GLN A 89 -8.140 -6.807 10.883 1.00 0.00 C ATOM 1345 CD GLN A 89 -9.285 -7.812 10.742 1.00 0.00 C ATOM 1346 OE1 GLN A 89 -9.396 -8.737 11.522 1.00 0.00 O ATOM 1347 NE2 GLN A 89 -10.148 -7.669 9.773 1.00 0.00 N ATOM 1348 OXT GLN A 89 -4.838 -6.731 14.049 1.00 0.00 O ATOM 0 H GLN A 89 -5.570 -6.985 10.698 1.00 0.00 H new ATOM 0 HA GLN A 89 -6.682 -4.948 12.175 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -7.184 -7.951 12.448 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -8.270 -6.709 13.039 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -8.510 -5.794 10.725 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -7.383 -6.993 10.121 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -10.055 -6.893 9.118 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -10.915 -8.334 9.671 1.00 0.00 H new TER 1357 GLN A 89 HETATM 1358 O3 PN7 A 101 1.794 -6.460 -9.644 1.00 0.00 O HETATM 1359 O4 PN7 A 101 0.196 -6.613 -12.080 1.00 0.00 O HETATM 1360 C2 PN7 A 101 2.907 -5.590 -11.594 1.00 0.00 C HETATM 1361 C1 PN7 A 101 3.365 -7.050 -11.629 1.00 0.00 C HETATM 1362 P PN7 A 101 3.227 -8.922 -10.052 1.00 0.00 P HETATM 1363 O1P PN7 A 101 1.756 -8.824 -9.922 1.00 0.00 O HETATM 1364 O2P PN7 A 101 3.819 -9.846 -11.045 1.00 0.00 O HETATM 1365 O3P PN7 A 101 3.808 -7.445 -10.328 1.00 0.00 O HETATM 1366 CE1 PN7 A 101 2.495 -5.152 -13.001 1.00 0.00 C HETATM 1367 CE2 PN7 A 101 4.056 -4.703 -11.105 1.00 0.00 C HETATM 1368 C3 PN7 A 101 1.716 -5.452 -10.643 1.00 0.00 C HETATM 1369 C4 PN7 A 101 0.410 -5.616 -11.420 1.00 0.00 C HETATM 1370 N5 PN7 A 101 -0.540 -4.755 -11.177 1.00 0.00 N HETATM 1371 C6 PN7 A 101 -1.666 -5.129 -10.277 1.00 0.00 C HETATM 1372 C7 PN7 A 101 -2.676 -5.980 -11.050 1.00 0.00 C HETATM 1373 C8 PN7 A 101 -2.989 -7.249 -10.255 1.00 0.00 C HETATM 1374 O8 PN7 A 101 -4.068 -7.407 -9.720 1.00 0.00 O HETATM 1375 N9 PN7 A 101 -2.066 -8.170 -10.204 1.00 0.00 N HETATM 1376 C10 PN7 A 101 -2.095 -9.194 -9.122 1.00 0.00 C HETATM 1377 C11 PN7 A 101 -1.677 -10.551 -9.692 1.00 0.00 C HETATM 1378 S12 PN7 A 101 -3.152 -11.478 -10.185 1.00 0.00 S