USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 826 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 40 CYS SG : rot -48:sc= 0.937 USER MOD Set 1.2: A 65 THR OG1 : rot -171:sc= 1.11 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.236 USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.158 USER MOD Single : A 17 GLN : amide:sc= -0.491 X(o=-0.49,f=-0.035) USER MOD Single : A 19 TYR OH : rot 180:sc=-0.00501 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -0.461 X(o=-0.46,f=-0.038) USER MOD Single : A 25 THR OG1 : rot -9:sc= 0.784 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -1.46 K(o=-1.5,f=-2.3!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot -79:sc= 1.23 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 86:sc= -0.152 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 CYS SG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=-0.0024) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -46:sc= 0.294 USER MOD Single : A 75 ASN : amide:sc= -2.54 K(o=-2.5,f=-4.5!) USER MOD Single : A 76 MET CE :methyl -141:sc= -1.98 (180deg=-3.12) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot -132:sc= 0.3 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 ASN :FLIP amide:sc= -1.32 F(o=-2.2,f=-1.3) USER MOD Single : A 100 SER OG : rot 150:sc= 1.28 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 MET CE :methyl -137:sc= -4.12 (180deg=-7.48!) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 CYS SG : rot 43:sc= -2.26! USER MOD Single : A 106 SER OG : rot 140:sc= 0.00609 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 25 N ILE A 3 16.225 6.608 -6.781 1.00 0.00 N ATOM 26 CA ILE A 3 17.154 6.053 -7.758 1.00 0.00 C ATOM 27 C ILE A 3 17.676 4.692 -7.308 1.00 0.00 C ATOM 28 O ILE A 3 17.637 4.361 -6.123 1.00 0.00 O ATOM 29 CB ILE A 3 18.349 6.995 -7.996 1.00 0.00 C ATOM 30 CG1 ILE A 3 17.860 8.423 -8.245 1.00 0.00 C ATOM 31 CG2 ILE A 3 19.184 6.504 -9.170 1.00 0.00 C ATOM 32 CD1 ILE A 3 18.979 9.432 -8.373 1.00 0.00 C ATOM 0 HA ILE A 3 16.601 5.938 -8.690 1.00 0.00 H new ATOM 0 HB ILE A 3 18.975 6.996 -7.104 1.00 0.00 H new ATOM 0 HG12 ILE A 3 17.261 8.440 -9.156 1.00 0.00 H new ATOM 0 HG13 ILE A 3 17.204 8.722 -7.427 1.00 0.00 H new ATOM 0 HG21 ILE A 3 20.025 7.180 -9.326 1.00 0.00 H new ATOM 0 HG22 ILE A 3 19.558 5.503 -8.957 1.00 0.00 H new ATOM 0 HG23 ILE A 3 18.568 6.478 -10.069 1.00 0.00 H new ATOM 0 HD11 ILE A 3 18.558 10.422 -8.548 1.00 0.00 H new ATOM 0 HD12 ILE A 3 19.565 9.444 -7.454 1.00 0.00 H new ATOM 0 HD13 ILE A 3 19.622 9.158 -9.209 1.00 0.00 H new ATOM 44 N LYS A 4 18.165 3.908 -8.262 1.00 0.00 N ATOM 45 CA LYS A 4 18.698 2.583 -7.966 1.00 0.00 C ATOM 46 C LYS A 4 19.824 2.667 -6.941 1.00 0.00 C ATOM 47 O LYS A 4 20.074 3.724 -6.364 1.00 0.00 O ATOM 48 CB LYS A 4 19.208 1.918 -9.246 1.00 0.00 C ATOM 49 CG LYS A 4 18.472 0.638 -9.601 1.00 0.00 C ATOM 50 CD LYS A 4 19.196 -0.588 -9.069 1.00 0.00 C ATOM 51 CE LYS A 4 18.975 -1.798 -9.963 1.00 0.00 C ATOM 52 NZ LYS A 4 19.420 -3.060 -9.309 1.00 0.00 N ATOM 0 H LYS A 4 18.203 4.167 -9.248 1.00 0.00 H new ATOM 0 HA LYS A 4 17.893 1.980 -7.547 1.00 0.00 H new ATOM 0 HB2 LYS A 4 19.115 2.622 -10.073 1.00 0.00 H new ATOM 0 HB3 LYS A 4 20.269 1.697 -9.133 1.00 0.00 H new ATOM 0 HG2 LYS A 4 17.463 0.672 -9.191 1.00 0.00 H new ATOM 0 HG3 LYS A 4 18.374 0.562 -10.684 1.00 0.00 H new ATOM 0 HD2 LYS A 4 20.263 -0.378 -8.996 1.00 0.00 H new ATOM 0 HD3 LYS A 4 18.845 -0.810 -8.061 1.00 0.00 H new ATOM 0 HE2 LYS A 4 17.918 -1.874 -10.217 1.00 0.00 H new ATOM 0 HE3 LYS A 4 19.518 -1.663 -10.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 19.253 -3.861 -9.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 20.435 -2.998 -9.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 18.884 -3.203 -8.429 1.00 0.00 H new ATOM 66 N GLY A 5 20.502 1.545 -6.720 1.00 0.00 N ATOM 67 CA GLY A 5 21.595 1.514 -5.766 1.00 0.00 C ATOM 68 C GLY A 5 22.540 2.687 -5.928 1.00 0.00 C ATOM 69 O GLY A 5 22.416 3.695 -5.231 1.00 0.00 O ATOM 0 H GLY A 5 20.314 0.657 -7.185 1.00 0.00 H new ATOM 0 HA2 GLY A 5 21.190 1.515 -4.754 1.00 0.00 H new ATOM 0 HA3 GLY A 5 22.151 0.584 -5.886 1.00 0.00 H new ATOM 73 N VAL A 6 23.490 2.557 -6.849 1.00 0.00 N ATOM 74 CA VAL A 6 24.461 3.616 -7.101 1.00 0.00 C ATOM 75 C VAL A 6 24.402 4.082 -8.551 1.00 0.00 C ATOM 76 O VAL A 6 25.215 3.672 -9.381 1.00 0.00 O ATOM 77 CB VAL A 6 25.894 3.150 -6.780 1.00 0.00 C ATOM 78 CG1 VAL A 6 26.870 4.311 -6.894 1.00 0.00 C ATOM 79 CG2 VAL A 6 25.953 2.526 -5.394 1.00 0.00 C ATOM 0 H VAL A 6 23.608 1.729 -7.433 1.00 0.00 H new ATOM 0 HA VAL A 6 24.201 4.447 -6.445 1.00 0.00 H new ATOM 0 HB VAL A 6 26.183 2.391 -7.507 1.00 0.00 H new ATOM 0 HG11 VAL A 6 27.877 3.964 -6.664 1.00 0.00 H new ATOM 0 HG12 VAL A 6 26.846 4.708 -7.909 1.00 0.00 H new ATOM 0 HG13 VAL A 6 26.587 5.095 -6.191 1.00 0.00 H new ATOM 0 HG21 VAL A 6 26.972 2.202 -5.184 1.00 0.00 H new ATOM 0 HG22 VAL A 6 25.645 3.261 -4.651 1.00 0.00 H new ATOM 0 HG23 VAL A 6 25.284 1.667 -5.353 1.00 0.00 H new ATOM 89 N THR A 7 23.435 4.943 -8.851 1.00 0.00 N ATOM 90 CA THR A 7 23.269 5.466 -10.202 1.00 0.00 C ATOM 91 C THR A 7 22.540 6.804 -10.187 1.00 0.00 C ATOM 92 O THR A 7 21.987 7.211 -9.165 1.00 0.00 O ATOM 93 CB THR A 7 22.491 4.480 -11.094 1.00 0.00 C ATOM 94 OG1 THR A 7 22.464 3.184 -10.485 1.00 0.00 O ATOM 95 CG2 THR A 7 23.124 4.384 -12.474 1.00 0.00 C ATOM 0 H THR A 7 22.755 5.293 -8.177 1.00 0.00 H new ATOM 0 HA THR A 7 24.269 5.605 -10.613 1.00 0.00 H new ATOM 0 HB THR A 7 21.472 4.850 -11.204 1.00 0.00 H new ATOM 0 HG1 THR A 7 21.966 2.564 -11.058 1.00 0.00 H new ATOM 0 HG21 THR A 7 22.558 3.682 -13.086 1.00 0.00 H new ATOM 0 HG22 THR A 7 23.116 5.366 -12.947 1.00 0.00 H new ATOM 0 HG23 THR A 7 24.152 4.035 -12.379 1.00 0.00 H new ATOM 103 N PHE A 8 22.541 7.486 -11.328 1.00 0.00 N ATOM 104 CA PHE A 8 21.879 8.780 -11.447 1.00 0.00 C ATOM 105 C PHE A 8 21.373 9.004 -12.869 1.00 0.00 C ATOM 106 O PHE A 8 21.398 8.096 -13.698 1.00 0.00 O ATOM 107 CB PHE A 8 22.837 9.905 -11.051 1.00 0.00 C ATOM 108 CG PHE A 8 24.208 9.762 -11.648 1.00 0.00 C ATOM 109 CD1 PHE A 8 25.167 8.972 -11.034 1.00 0.00 C ATOM 110 CD2 PHE A 8 24.538 10.418 -12.823 1.00 0.00 C ATOM 111 CE1 PHE A 8 26.429 8.839 -11.582 1.00 0.00 C ATOM 112 CE2 PHE A 8 25.798 10.288 -13.375 1.00 0.00 C ATOM 113 CZ PHE A 8 26.745 9.498 -12.753 1.00 0.00 C ATOM 0 H PHE A 8 22.993 7.164 -12.184 1.00 0.00 H new ATOM 0 HA PHE A 8 21.024 8.786 -10.771 1.00 0.00 H new ATOM 0 HB2 PHE A 8 22.412 10.860 -11.361 1.00 0.00 H new ATOM 0 HB3 PHE A 8 22.923 9.933 -9.965 1.00 0.00 H new ATOM 0 HD1 PHE A 8 24.926 8.455 -10.117 1.00 0.00 H new ATOM 0 HD2 PHE A 8 23.802 11.038 -13.313 1.00 0.00 H new ATOM 0 HE1 PHE A 8 27.167 8.220 -11.094 1.00 0.00 H new ATOM 0 HE2 PHE A 8 26.042 10.804 -14.292 1.00 0.00 H new ATOM 0 HZ PHE A 8 27.731 9.396 -13.182 1.00 0.00 H new ATOM 123 N GLY A 9 20.912 10.221 -13.142 1.00 0.00 N ATOM 124 CA GLY A 9 20.406 10.543 -14.463 1.00 0.00 C ATOM 125 C GLY A 9 21.299 10.018 -15.570 1.00 0.00 C ATOM 126 O GLY A 9 22.329 10.616 -15.880 1.00 0.00 O ATOM 0 H GLY A 9 20.880 10.989 -12.472 1.00 0.00 H new ATOM 0 HA2 GLY A 9 19.406 10.124 -14.578 1.00 0.00 H new ATOM 0 HA3 GLY A 9 20.312 11.625 -14.559 1.00 0.00 H new ATOM 130 N GLU A 10 20.904 8.897 -16.165 1.00 0.00 N ATOM 131 CA GLU A 10 21.678 8.291 -17.242 1.00 0.00 C ATOM 132 C GLU A 10 20.906 8.333 -18.557 1.00 0.00 C ATOM 133 O GLU A 10 21.482 8.170 -19.633 1.00 0.00 O ATOM 134 CB GLU A 10 22.035 6.845 -16.892 1.00 0.00 C ATOM 135 CG GLU A 10 23.396 6.696 -16.235 1.00 0.00 C ATOM 136 CD GLU A 10 24.528 6.636 -17.243 1.00 0.00 C ATOM 137 OE1 GLU A 10 24.605 5.637 -17.989 1.00 0.00 O ATOM 138 OE2 GLU A 10 25.335 7.587 -17.287 1.00 0.00 O ATOM 0 H GLU A 10 20.053 8.390 -15.920 1.00 0.00 H new ATOM 0 HA GLU A 10 22.597 8.865 -17.362 1.00 0.00 H new ATOM 0 HB2 GLU A 10 21.273 6.443 -16.225 1.00 0.00 H new ATOM 0 HB3 GLU A 10 22.012 6.244 -17.801 1.00 0.00 H new ATOM 0 HG2 GLU A 10 23.562 7.534 -15.558 1.00 0.00 H new ATOM 0 HG3 GLU A 10 23.406 5.790 -15.629 1.00 0.00 H new ATOM 145 N ASP A 11 19.599 8.551 -18.462 1.00 0.00 N ATOM 146 CA ASP A 11 18.746 8.614 -19.644 1.00 0.00 C ATOM 147 C ASP A 11 17.371 9.173 -19.292 1.00 0.00 C ATOM 148 O ASP A 11 16.951 10.200 -19.827 1.00 0.00 O ATOM 149 CB ASP A 11 18.601 7.226 -20.269 1.00 0.00 C ATOM 150 CG ASP A 11 18.421 7.284 -21.773 1.00 0.00 C ATOM 151 OD1 ASP A 11 19.394 7.633 -22.474 1.00 0.00 O ATOM 152 OD2 ASP A 11 17.308 6.980 -22.249 1.00 0.00 O ATOM 0 H ASP A 11 19.107 8.687 -17.579 1.00 0.00 H new ATOM 0 HA ASP A 11 19.216 9.282 -20.366 1.00 0.00 H new ATOM 0 HB2 ASP A 11 19.484 6.631 -20.034 1.00 0.00 H new ATOM 0 HB3 ASP A 11 17.746 6.717 -19.823 1.00 0.00 H new ATOM 157 N THR A 12 16.673 8.491 -18.390 1.00 0.00 N ATOM 158 CA THR A 12 15.345 8.918 -17.968 1.00 0.00 C ATOM 159 C THR A 12 14.808 8.025 -16.855 1.00 0.00 C ATOM 160 O THR A 12 15.445 7.045 -16.470 1.00 0.00 O ATOM 161 CB THR A 12 14.351 8.905 -19.145 1.00 0.00 C ATOM 162 OG1 THR A 12 13.120 9.523 -18.754 1.00 0.00 O ATOM 163 CG2 THR A 12 14.084 7.483 -19.613 1.00 0.00 C ATOM 0 H THR A 12 17.006 7.640 -17.937 1.00 0.00 H new ATOM 0 HA THR A 12 15.444 9.938 -17.596 1.00 0.00 H new ATOM 0 HB THR A 12 14.792 9.465 -19.970 1.00 0.00 H new ATOM 0 HG1 THR A 12 12.494 9.512 -19.508 1.00 0.00 H new ATOM 0 HG21 THR A 12 13.379 7.500 -20.444 1.00 0.00 H new ATOM 0 HG22 THR A 12 15.018 7.026 -19.938 1.00 0.00 H new ATOM 0 HG23 THR A 12 13.663 6.903 -18.792 1.00 0.00 H new ATOM 171 N VAL A 13 13.631 8.371 -16.342 1.00 0.00 N ATOM 172 CA VAL A 13 13.007 7.600 -15.273 1.00 0.00 C ATOM 173 C VAL A 13 12.229 6.415 -15.833 1.00 0.00 C ATOM 174 O VAL A 13 11.920 6.369 -17.024 1.00 0.00 O ATOM 175 CB VAL A 13 12.057 8.473 -14.432 1.00 0.00 C ATOM 176 CG1 VAL A 13 11.871 7.876 -13.045 1.00 0.00 C ATOM 177 CG2 VAL A 13 12.583 9.897 -14.342 1.00 0.00 C ATOM 0 H VAL A 13 13.091 9.180 -16.649 1.00 0.00 H new ATOM 0 HA VAL A 13 13.812 7.234 -14.635 1.00 0.00 H new ATOM 0 HB VAL A 13 11.084 8.499 -14.923 1.00 0.00 H new ATOM 0 HG11 VAL A 13 11.197 8.506 -12.465 1.00 0.00 H new ATOM 0 HG12 VAL A 13 11.447 6.876 -13.133 1.00 0.00 H new ATOM 0 HG13 VAL A 13 12.836 7.818 -12.542 1.00 0.00 H new ATOM 0 HG21 VAL A 13 11.900 10.500 -13.744 1.00 0.00 H new ATOM 0 HG22 VAL A 13 13.567 9.892 -13.874 1.00 0.00 H new ATOM 0 HG23 VAL A 13 12.660 10.321 -15.343 1.00 0.00 H new ATOM 187 N TRP A 14 11.914 5.458 -14.967 1.00 0.00 N ATOM 188 CA TRP A 14 11.170 4.272 -15.376 1.00 0.00 C ATOM 189 C TRP A 14 11.941 3.482 -16.427 1.00 0.00 C ATOM 190 O TRP A 14 11.370 2.650 -17.132 1.00 0.00 O ATOM 191 CB TRP A 14 9.798 4.669 -15.922 1.00 0.00 C ATOM 192 CG TRP A 14 8.821 5.053 -14.853 1.00 0.00 C ATOM 193 CD1 TRP A 14 8.843 6.186 -14.091 1.00 0.00 C ATOM 194 CD2 TRP A 14 7.679 4.302 -14.425 1.00 0.00 C ATOM 195 NE1 TRP A 14 7.784 6.185 -13.216 1.00 0.00 N ATOM 196 CE2 TRP A 14 7.054 5.041 -13.401 1.00 0.00 C ATOM 197 CE3 TRP A 14 7.123 3.078 -14.808 1.00 0.00 C ATOM 198 CZ2 TRP A 14 5.903 4.594 -12.758 1.00 0.00 C ATOM 199 CZ3 TRP A 14 5.981 2.636 -14.168 1.00 0.00 C ATOM 200 CH2 TRP A 14 5.381 3.393 -13.153 1.00 0.00 C ATOM 0 H TRP A 14 12.162 5.480 -13.978 1.00 0.00 H new ATOM 0 HA TRP A 14 11.034 3.638 -14.500 1.00 0.00 H new ATOM 0 HB2 TRP A 14 9.917 5.504 -16.612 1.00 0.00 H new ATOM 0 HB3 TRP A 14 9.389 3.838 -16.496 1.00 0.00 H new ATOM 0 HD1 TRP A 14 9.584 6.968 -14.165 1.00 0.00 H new ATOM 0 HE1 TRP A 14 7.575 6.918 -12.538 1.00 0.00 H new ATOM 0 HE3 TRP A 14 7.578 2.488 -15.590 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 5.439 5.175 -11.975 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 5.544 1.691 -14.455 1.00 0.00 H new ATOM 0 HH2 TRP A 14 4.488 3.021 -12.673 1.00 0.00 H new ATOM 211 N GLU A 15 13.240 3.747 -16.527 1.00 0.00 N ATOM 212 CA GLU A 15 14.087 3.060 -17.494 1.00 0.00 C ATOM 213 C GLU A 15 15.465 2.774 -16.904 1.00 0.00 C ATOM 214 O GLU A 15 16.053 1.721 -17.153 1.00 0.00 O ATOM 215 CB GLU A 15 14.229 3.897 -18.767 1.00 0.00 C ATOM 216 CG GLU A 15 13.188 3.576 -19.826 1.00 0.00 C ATOM 217 CD GLU A 15 13.752 2.754 -20.969 1.00 0.00 C ATOM 218 OE1 GLU A 15 14.864 3.073 -21.437 1.00 0.00 O ATOM 219 OE2 GLU A 15 13.080 1.790 -21.394 1.00 0.00 O ATOM 0 H GLU A 15 13.728 4.432 -15.950 1.00 0.00 H new ATOM 0 HA GLU A 15 13.613 2.111 -17.743 1.00 0.00 H new ATOM 0 HB2 GLU A 15 14.157 4.953 -18.507 1.00 0.00 H new ATOM 0 HB3 GLU A 15 15.223 3.739 -19.187 1.00 0.00 H new ATOM 0 HG2 GLU A 15 12.363 3.033 -19.366 1.00 0.00 H new ATOM 0 HG3 GLU A 15 12.778 4.506 -20.220 1.00 0.00 H new ATOM 226 N VAL A 16 15.974 3.719 -16.120 1.00 0.00 N ATOM 227 CA VAL A 16 17.282 3.569 -15.494 1.00 0.00 C ATOM 228 C VAL A 16 17.180 3.675 -13.976 1.00 0.00 C ATOM 229 O VAL A 16 17.916 3.011 -13.247 1.00 0.00 O ATOM 230 CB VAL A 16 18.274 4.631 -16.006 1.00 0.00 C ATOM 231 CG1 VAL A 16 19.707 4.149 -15.835 1.00 0.00 C ATOM 232 CG2 VAL A 16 17.987 4.970 -17.460 1.00 0.00 C ATOM 0 H VAL A 16 15.501 4.596 -15.903 1.00 0.00 H new ATOM 0 HA VAL A 16 17.650 2.579 -15.762 1.00 0.00 H new ATOM 0 HB VAL A 16 18.148 5.537 -15.414 1.00 0.00 H new ATOM 0 HG11 VAL A 16 20.394 4.912 -16.202 1.00 0.00 H new ATOM 0 HG12 VAL A 16 19.904 3.961 -14.780 1.00 0.00 H new ATOM 0 HG13 VAL A 16 19.851 3.229 -16.401 1.00 0.00 H new ATOM 0 HG21 VAL A 16 18.697 5.722 -17.805 1.00 0.00 H new ATOM 0 HG22 VAL A 16 18.085 4.071 -18.069 1.00 0.00 H new ATOM 0 HG23 VAL A 16 16.973 5.360 -17.549 1.00 0.00 H new ATOM 242 N GLN A 17 16.262 4.515 -13.508 1.00 0.00 N ATOM 243 CA GLN A 17 16.064 4.708 -12.076 1.00 0.00 C ATOM 244 C GLN A 17 15.916 3.368 -11.362 1.00 0.00 C ATOM 245 O GLN A 17 16.496 3.153 -10.298 1.00 0.00 O ATOM 246 CB GLN A 17 14.828 5.573 -11.823 1.00 0.00 C ATOM 247 CG GLN A 17 14.173 5.318 -10.475 1.00 0.00 C ATOM 248 CD GLN A 17 13.186 6.403 -10.092 1.00 0.00 C ATOM 249 OE1 GLN A 17 13.549 7.390 -9.451 1.00 0.00 O ATOM 250 NE2 GLN A 17 11.929 6.226 -10.483 1.00 0.00 N ATOM 0 H GLN A 17 15.644 5.072 -14.099 1.00 0.00 H new ATOM 0 HA GLN A 17 16.942 5.216 -11.678 1.00 0.00 H new ATOM 0 HB2 GLN A 17 15.111 6.624 -11.887 1.00 0.00 H new ATOM 0 HB3 GLN A 17 14.099 5.390 -12.612 1.00 0.00 H new ATOM 0 HG2 GLN A 17 13.659 4.357 -10.501 1.00 0.00 H new ATOM 0 HG3 GLN A 17 14.944 5.246 -9.708 1.00 0.00 H new ATOM 0 HE21 GLN A 17 11.672 5.393 -11.013 1.00 0.00 H new ATOM 0 HE22 GLN A 17 11.221 6.923 -10.254 1.00 0.00 H new ATOM 259 N GLY A 18 15.136 2.469 -11.954 1.00 0.00 N ATOM 260 CA GLY A 18 14.926 1.162 -11.360 1.00 0.00 C ATOM 261 C GLY A 18 13.830 1.171 -10.312 1.00 0.00 C ATOM 262 O GLY A 18 13.925 0.478 -9.299 1.00 0.00 O ATOM 0 H GLY A 18 14.645 2.623 -12.835 1.00 0.00 H new ATOM 0 HA2 GLY A 18 14.670 0.447 -12.142 1.00 0.00 H new ATOM 0 HA3 GLY A 18 15.856 0.819 -10.906 1.00 0.00 H new ATOM 266 N TYR A 19 12.788 1.958 -10.555 1.00 0.00 N ATOM 267 CA TYR A 19 11.672 2.057 -9.623 1.00 0.00 C ATOM 268 C TYR A 19 10.392 2.466 -10.346 1.00 0.00 C ATOM 269 O TYR A 19 10.430 2.931 -11.486 1.00 0.00 O ATOM 270 CB TYR A 19 11.991 3.066 -8.518 1.00 0.00 C ATOM 271 CG TYR A 19 12.589 2.438 -7.279 1.00 0.00 C ATOM 272 CD1 TYR A 19 11.777 1.914 -6.281 1.00 0.00 C ATOM 273 CD2 TYR A 19 13.966 2.370 -7.107 1.00 0.00 C ATOM 274 CE1 TYR A 19 12.319 1.341 -5.147 1.00 0.00 C ATOM 275 CE2 TYR A 19 14.517 1.797 -5.977 1.00 0.00 C ATOM 276 CZ TYR A 19 13.690 1.284 -5.000 1.00 0.00 C ATOM 277 OH TYR A 19 14.235 0.713 -3.873 1.00 0.00 O ATOM 0 H TYR A 19 12.693 2.537 -11.390 1.00 0.00 H new ATOM 0 HA TYR A 19 11.517 1.075 -9.176 1.00 0.00 H new ATOM 0 HB2 TYR A 19 12.684 3.812 -8.908 1.00 0.00 H new ATOM 0 HB3 TYR A 19 11.077 3.593 -8.243 1.00 0.00 H new ATOM 0 HD1 TYR A 19 10.704 1.955 -6.394 1.00 0.00 H new ATOM 0 HD2 TYR A 19 14.617 2.772 -7.870 1.00 0.00 H new ATOM 0 HE1 TYR A 19 11.673 0.940 -4.380 1.00 0.00 H new ATOM 0 HE2 TYR A 19 15.590 1.751 -5.859 1.00 0.00 H new ATOM 0 HH TYR A 19 15.213 0.752 -3.926 1.00 0.00 H new ATOM 287 N LYS A 20 9.259 2.291 -9.675 1.00 0.00 N ATOM 288 CA LYS A 20 7.966 2.643 -10.251 1.00 0.00 C ATOM 289 C LYS A 20 7.075 3.318 -9.213 1.00 0.00 C ATOM 290 O LYS A 20 7.491 3.549 -8.079 1.00 0.00 O ATOM 291 CB LYS A 20 7.273 1.394 -10.800 1.00 0.00 C ATOM 292 CG LYS A 20 7.817 0.937 -12.142 1.00 0.00 C ATOM 293 CD LYS A 20 9.097 0.133 -11.980 1.00 0.00 C ATOM 294 CE LYS A 20 9.163 -1.016 -12.975 1.00 0.00 C ATOM 295 NZ LYS A 20 9.348 -0.530 -14.371 1.00 0.00 N ATOM 0 H LYS A 20 9.210 1.907 -8.731 1.00 0.00 H new ATOM 0 HA LYS A 20 8.138 3.344 -11.068 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.379 0.583 -10.079 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.206 1.595 -10.899 1.00 0.00 H new ATOM 0 HG2 LYS A 20 7.068 0.331 -12.652 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.009 1.805 -12.773 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.958 0.786 -12.119 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.155 -0.260 -10.965 1.00 0.00 H new ATOM 0 HE2 LYS A 20 9.986 -1.680 -12.709 1.00 0.00 H new ATOM 0 HE3 LYS A 20 8.247 -1.603 -12.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 9.388 -1.342 -15.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 8.550 0.083 -14.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 10.235 0.009 -14.436 1.00 0.00 H new ATOM 309 N ASN A 21 5.845 3.631 -9.610 1.00 0.00 N ATOM 310 CA ASN A 21 4.894 4.278 -8.714 1.00 0.00 C ATOM 311 C ASN A 21 3.527 3.607 -8.795 1.00 0.00 C ATOM 312 O ASN A 21 2.812 3.747 -9.787 1.00 0.00 O ATOM 313 CB ASN A 21 4.767 5.763 -9.059 1.00 0.00 C ATOM 314 CG ASN A 21 6.083 6.504 -8.920 1.00 0.00 C ATOM 315 OD1 ASN A 21 6.296 7.240 -7.956 1.00 0.00 O ATOM 316 ND2 ASN A 21 6.974 6.312 -9.886 1.00 0.00 N ATOM 0 H ASN A 21 5.484 3.447 -10.546 1.00 0.00 H new ATOM 0 HA ASN A 21 5.267 4.179 -7.695 1.00 0.00 H new ATOM 0 HB2 ASN A 21 4.402 5.866 -10.081 1.00 0.00 H new ATOM 0 HB3 ASN A 21 4.024 6.222 -8.407 1.00 0.00 H new ATOM 0 HD21 ASN A 21 7.878 6.784 -9.847 1.00 0.00 H new ATOM 0 HD22 ASN A 21 6.755 5.693 -10.666 1.00 0.00 H new ATOM 323 N VAL A 22 3.168 2.878 -7.743 1.00 0.00 N ATOM 324 CA VAL A 22 1.886 2.186 -7.693 1.00 0.00 C ATOM 325 C VAL A 22 1.004 2.743 -6.582 1.00 0.00 C ATOM 326 O VAL A 22 1.352 2.670 -5.403 1.00 0.00 O ATOM 327 CB VAL A 22 2.073 0.673 -7.475 1.00 0.00 C ATOM 328 CG1 VAL A 22 2.949 0.412 -6.260 1.00 0.00 C ATOM 329 CG2 VAL A 22 0.723 -0.014 -7.327 1.00 0.00 C ATOM 0 H VAL A 22 3.748 2.751 -6.913 1.00 0.00 H new ATOM 0 HA VAL A 22 1.400 2.350 -8.655 1.00 0.00 H new ATOM 0 HB VAL A 22 2.574 0.257 -8.349 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.069 -0.663 -6.122 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.926 0.870 -6.411 1.00 0.00 H new ATOM 0 HG13 VAL A 22 2.480 0.841 -5.374 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.873 -1.083 -7.174 1.00 0.00 H new ATOM 0 HG22 VAL A 22 0.194 0.404 -6.471 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.134 0.143 -8.230 1.00 0.00 H new ATOM 339 N ARG A 23 -0.141 3.300 -6.965 1.00 0.00 N ATOM 340 CA ARG A 23 -1.074 3.870 -6.001 1.00 0.00 C ATOM 341 C ARG A 23 -2.144 2.854 -5.613 1.00 0.00 C ATOM 342 O ARG A 23 -2.416 1.911 -6.356 1.00 0.00 O ATOM 343 CB ARG A 23 -1.731 5.126 -6.577 1.00 0.00 C ATOM 344 CG ARG A 23 -1.158 6.421 -6.026 1.00 0.00 C ATOM 345 CD ARG A 23 0.209 6.722 -6.620 1.00 0.00 C ATOM 346 NE ARG A 23 0.366 8.137 -6.943 1.00 0.00 N ATOM 347 CZ ARG A 23 1.263 8.599 -7.808 1.00 0.00 C ATOM 348 NH1 ARG A 23 2.079 7.761 -8.432 1.00 0.00 N ATOM 349 NH2 ARG A 23 1.345 9.901 -8.050 1.00 0.00 N ATOM 0 H ARG A 23 -0.444 3.368 -7.936 1.00 0.00 H new ATOM 0 HA ARG A 23 -0.513 4.140 -5.106 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.617 5.121 -7.661 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -2.800 5.094 -6.369 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -1.840 7.243 -6.243 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -1.077 6.352 -4.941 1.00 0.00 H new ATOM 0 HD2 ARG A 23 0.984 6.423 -5.915 1.00 0.00 H new ATOM 0 HD3 ARG A 23 0.351 6.126 -7.522 1.00 0.00 H new ATOM 0 HE ARG A 23 -0.246 8.808 -6.479 1.00 0.00 H new ATOM 0 HH11 ARG A 23 2.019 6.759 -8.249 1.00 0.00 H new ATOM 0 HH12 ARG A 23 2.767 8.118 -9.095 1.00 0.00 H new ATOM 0 HH21 ARG A 23 0.719 10.549 -7.572 1.00 0.00 H new ATOM 0 HH22 ARG A 23 2.034 10.254 -8.714 1.00 0.00 H new ATOM 363 N ILE A 24 -2.746 3.054 -4.446 1.00 0.00 N ATOM 364 CA ILE A 24 -3.786 2.156 -3.960 1.00 0.00 C ATOM 365 C ILE A 24 -5.044 2.928 -3.575 1.00 0.00 C ATOM 366 O ILE A 24 -4.971 3.981 -2.941 1.00 0.00 O ATOM 367 CB ILE A 24 -3.305 1.343 -2.744 1.00 0.00 C ATOM 368 CG1 ILE A 24 -2.093 0.488 -3.121 1.00 0.00 C ATOM 369 CG2 ILE A 24 -4.431 0.469 -2.212 1.00 0.00 C ATOM 370 CD1 ILE A 24 -0.777 1.224 -3.009 1.00 0.00 C ATOM 0 H ILE A 24 -2.532 3.830 -3.819 1.00 0.00 H new ATOM 0 HA ILE A 24 -4.018 1.472 -4.776 1.00 0.00 H new ATOM 0 HB ILE A 24 -3.007 2.036 -1.958 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -2.064 -0.391 -2.477 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.214 0.131 -4.144 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.075 -0.099 -1.353 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -5.268 1.098 -1.910 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.757 -0.219 -2.992 1.00 0.00 H new ATOM 0 HD11 ILE A 24 0.038 0.557 -3.291 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -0.786 2.088 -3.673 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -0.633 1.558 -1.981 1.00 0.00 H new ATOM 382 N THR A 25 -6.200 2.397 -3.963 1.00 0.00 N ATOM 383 CA THR A 25 -7.474 3.035 -3.659 1.00 0.00 C ATOM 384 C THR A 25 -8.629 2.049 -3.791 1.00 0.00 C ATOM 385 O THR A 25 -9.329 2.030 -4.804 1.00 0.00 O ATOM 386 CB THR A 25 -7.734 4.239 -4.583 1.00 0.00 C ATOM 387 OG1 THR A 25 -6.706 5.221 -4.411 1.00 0.00 O ATOM 388 CG2 THR A 25 -9.091 4.863 -4.292 1.00 0.00 C ATOM 0 H THR A 25 -6.279 1.526 -4.489 1.00 0.00 H new ATOM 0 HA THR A 25 -7.414 3.384 -2.628 1.00 0.00 H new ATOM 0 HB THR A 25 -7.728 3.884 -5.614 1.00 0.00 H new ATOM 0 HG1 THR A 25 -6.142 4.974 -3.648 1.00 0.00 H new ATOM 0 HG21 THR A 25 -9.252 5.711 -4.957 1.00 0.00 H new ATOM 0 HG22 THR A 25 -9.874 4.122 -4.453 1.00 0.00 H new ATOM 0 HG23 THR A 25 -9.121 5.203 -3.257 1.00 0.00 H new ATOM 396 N PHE A 26 -8.822 1.230 -2.763 1.00 0.00 N ATOM 397 CA PHE A 26 -9.893 0.240 -2.765 1.00 0.00 C ATOM 398 C PHE A 26 -10.853 0.475 -1.603 1.00 0.00 C ATOM 399 O PHE A 26 -11.953 0.994 -1.789 1.00 0.00 O ATOM 400 CB PHE A 26 -9.310 -1.173 -2.681 1.00 0.00 C ATOM 401 CG PHE A 26 -10.355 -2.251 -2.637 1.00 0.00 C ATOM 402 CD1 PHE A 26 -11.019 -2.638 -3.790 1.00 0.00 C ATOM 403 CD2 PHE A 26 -10.673 -2.877 -1.442 1.00 0.00 C ATOM 404 CE1 PHE A 26 -11.981 -3.630 -3.752 1.00 0.00 C ATOM 405 CE2 PHE A 26 -11.633 -3.869 -1.399 1.00 0.00 C ATOM 406 CZ PHE A 26 -12.289 -4.246 -2.555 1.00 0.00 C ATOM 0 H PHE A 26 -8.251 1.232 -1.918 1.00 0.00 H new ATOM 0 HA PHE A 26 -10.447 0.343 -3.698 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -8.662 -1.342 -3.541 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -8.685 -1.247 -1.791 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -10.782 -2.159 -4.729 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -10.165 -2.586 -0.535 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -12.491 -3.923 -4.658 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -11.871 -4.350 -0.462 1.00 0.00 H new ATOM 0 HZ PHE A 26 -13.041 -5.021 -2.523 1.00 0.00 H new ATOM 416 N GLU A 27 -10.429 0.088 -0.404 1.00 0.00 N ATOM 417 CA GLU A 27 -11.252 0.256 0.788 1.00 0.00 C ATOM 418 C GLU A 27 -10.546 -0.303 2.020 1.00 0.00 C ATOM 419 O GLU A 27 -9.974 -1.393 1.981 1.00 0.00 O ATOM 420 CB GLU A 27 -12.603 -0.438 0.603 1.00 0.00 C ATOM 421 CG GLU A 27 -13.790 0.506 0.698 1.00 0.00 C ATOM 422 CD GLU A 27 -14.452 0.475 2.062 1.00 0.00 C ATOM 423 OE1 GLU A 27 -13.737 0.642 3.072 1.00 0.00 O ATOM 424 OE2 GLU A 27 -15.685 0.284 2.120 1.00 0.00 O ATOM 0 H GLU A 27 -9.521 -0.344 -0.232 1.00 0.00 H new ATOM 0 HA GLU A 27 -11.416 1.323 0.938 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.619 -0.931 -0.369 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -12.708 -1.217 1.358 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -13.460 1.522 0.482 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -14.523 0.240 -0.064 1.00 0.00 H new ATOM 431 N LEU A 28 -10.589 0.452 3.112 1.00 0.00 N ATOM 432 CA LEU A 28 -9.953 0.034 4.357 1.00 0.00 C ATOM 433 C LEU A 28 -10.777 0.472 5.563 1.00 0.00 C ATOM 434 O LEU A 28 -11.166 -0.349 6.394 1.00 0.00 O ATOM 435 CB LEU A 28 -8.541 0.615 4.451 1.00 0.00 C ATOM 436 CG LEU A 28 -7.403 -0.401 4.559 1.00 0.00 C ATOM 437 CD1 LEU A 28 -7.543 -1.226 5.829 1.00 0.00 C ATOM 438 CD2 LEU A 28 -7.377 -1.304 3.334 1.00 0.00 C ATOM 0 H LEU A 28 -11.057 1.357 3.161 1.00 0.00 H new ATOM 0 HA LEU A 28 -9.892 -1.054 4.358 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.366 1.235 3.572 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -8.497 1.273 5.319 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.459 0.142 4.606 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.725 -1.943 5.889 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -7.512 -0.567 6.696 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -8.493 -1.760 5.813 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.561 -2.021 3.428 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -8.323 -1.839 3.256 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.228 -0.699 2.439 1.00 0.00 H new ATOM 450 N ASP A 29 -11.041 1.771 5.653 1.00 0.00 N ATOM 451 CA ASP A 29 -11.823 2.319 6.756 1.00 0.00 C ATOM 452 C ASP A 29 -13.005 3.129 6.234 1.00 0.00 C ATOM 453 O ASP A 29 -13.265 3.162 5.032 1.00 0.00 O ATOM 454 CB ASP A 29 -10.941 3.195 7.647 1.00 0.00 C ATOM 455 CG ASP A 29 -9.604 2.549 7.953 1.00 0.00 C ATOM 456 OD1 ASP A 29 -8.689 2.652 7.110 1.00 0.00 O ATOM 457 OD2 ASP A 29 -9.473 1.940 9.036 1.00 0.00 O ATOM 0 H ASP A 29 -10.725 2.465 4.975 1.00 0.00 H new ATOM 0 HA ASP A 29 -12.209 1.487 7.345 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -10.774 4.154 7.157 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -11.464 3.401 8.581 1.00 0.00 H new ATOM 462 N GLU A 30 -13.719 3.780 7.148 1.00 0.00 N ATOM 463 CA GLU A 30 -14.875 4.589 6.779 1.00 0.00 C ATOM 464 C GLU A 30 -14.678 6.042 7.200 1.00 0.00 C ATOM 465 O GLU A 30 -15.167 6.961 6.542 1.00 0.00 O ATOM 466 CB GLU A 30 -16.144 4.027 7.424 1.00 0.00 C ATOM 467 CG GLU A 30 -16.022 3.814 8.923 1.00 0.00 C ATOM 468 CD GLU A 30 -17.244 4.293 9.682 1.00 0.00 C ATOM 469 OE1 GLU A 30 -17.338 5.510 9.947 1.00 0.00 O ATOM 470 OE2 GLU A 30 -18.107 3.453 10.011 1.00 0.00 O ATOM 0 H GLU A 30 -13.517 3.763 8.148 1.00 0.00 H new ATOM 0 HA GLU A 30 -14.981 4.554 5.695 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -16.973 4.708 7.229 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -16.393 3.078 6.950 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -15.867 2.754 9.124 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -15.141 4.341 9.290 1.00 0.00 H new ATOM 477 N ARG A 31 -13.960 6.242 8.300 1.00 0.00 N ATOM 478 CA ARG A 31 -13.700 7.583 8.810 1.00 0.00 C ATOM 479 C ARG A 31 -12.227 7.949 8.650 1.00 0.00 C ATOM 480 O ARG A 31 -11.887 9.106 8.401 1.00 0.00 O ATOM 481 CB ARG A 31 -14.104 7.679 10.282 1.00 0.00 C ATOM 482 CG ARG A 31 -13.240 6.838 11.207 1.00 0.00 C ATOM 483 CD ARG A 31 -13.644 7.017 12.662 1.00 0.00 C ATOM 484 NE ARG A 31 -13.245 8.321 13.184 1.00 0.00 N ATOM 485 CZ ARG A 31 -13.750 8.855 14.291 1.00 0.00 C ATOM 486 NH1 ARG A 31 -14.668 8.200 14.988 1.00 0.00 N ATOM 487 NH2 ARG A 31 -13.336 10.047 14.702 1.00 0.00 N ATOM 0 H ARG A 31 -13.548 5.492 8.855 1.00 0.00 H new ATOM 0 HA ARG A 31 -14.297 8.287 8.230 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -14.051 8.721 10.597 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -15.143 7.367 10.386 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -13.326 5.787 10.931 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -12.194 7.116 11.082 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -14.724 6.904 12.755 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -13.189 6.231 13.264 1.00 0.00 H new ATOM 0 HE ARG A 31 -12.540 8.851 12.671 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -14.988 7.284 14.675 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -15.054 8.612 15.837 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -12.630 10.554 14.168 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -13.724 10.457 15.552 1.00 0.00 H new ATOM 501 N VAL A 32 -11.356 6.955 8.797 1.00 0.00 N ATOM 502 CA VAL A 32 -9.920 7.172 8.669 1.00 0.00 C ATOM 503 C VAL A 32 -9.394 6.607 7.355 1.00 0.00 C ATOM 504 O VAL A 32 -8.310 6.025 7.308 1.00 0.00 O ATOM 505 CB VAL A 32 -9.149 6.529 9.838 1.00 0.00 C ATOM 506 CG1 VAL A 32 -9.603 7.117 11.165 1.00 0.00 C ATOM 507 CG2 VAL A 32 -9.327 5.019 9.825 1.00 0.00 C ATOM 0 H VAL A 32 -11.620 5.992 9.005 1.00 0.00 H new ATOM 0 HA VAL A 32 -9.760 8.250 8.687 1.00 0.00 H new ATOM 0 HB VAL A 32 -8.088 6.748 9.716 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -9.047 6.651 11.979 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -9.419 8.191 11.169 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -10.669 6.931 11.300 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -8.776 4.581 10.657 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -10.385 4.777 9.923 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -8.947 4.616 8.886 1.00 0.00 H new ATOM 517 N ASP A 33 -10.168 6.782 6.290 1.00 0.00 N ATOM 518 CA ASP A 33 -9.780 6.290 4.973 1.00 0.00 C ATOM 519 C ASP A 33 -8.910 7.311 4.247 1.00 0.00 C ATOM 520 O ASP A 33 -7.847 6.978 3.723 1.00 0.00 O ATOM 521 CB ASP A 33 -11.021 5.972 4.138 1.00 0.00 C ATOM 522 CG ASP A 33 -10.765 6.100 2.649 1.00 0.00 C ATOM 523 OD1 ASP A 33 -10.030 5.253 2.099 1.00 0.00 O ATOM 524 OD2 ASP A 33 -11.298 7.047 2.034 1.00 0.00 O ATOM 0 H ASP A 33 -11.068 7.261 6.313 1.00 0.00 H new ATOM 0 HA ASP A 33 -9.200 5.377 5.109 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -11.355 4.959 4.361 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -11.830 6.644 4.424 1.00 0.00 H new ATOM 529 N LYS A 34 -9.370 8.558 4.217 1.00 0.00 N ATOM 530 CA LYS A 34 -8.635 9.629 3.555 1.00 0.00 C ATOM 531 C LYS A 34 -7.215 9.734 4.103 1.00 0.00 C ATOM 532 O LYS A 34 -6.317 10.245 3.433 1.00 0.00 O ATOM 533 CB LYS A 34 -9.364 10.963 3.737 1.00 0.00 C ATOM 534 CG LYS A 34 -8.884 11.759 4.939 1.00 0.00 C ATOM 535 CD LYS A 34 -9.277 11.088 6.245 1.00 0.00 C ATOM 536 CE LYS A 34 -10.659 11.527 6.703 1.00 0.00 C ATOM 537 NZ LYS A 34 -10.623 12.153 8.053 1.00 0.00 N ATOM 0 H LYS A 34 -10.249 8.851 4.644 1.00 0.00 H new ATOM 0 HA LYS A 34 -8.578 9.395 2.492 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.233 11.565 2.838 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -10.432 10.773 3.841 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.800 11.867 4.896 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -9.306 12.763 4.904 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -9.261 10.006 6.118 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -8.544 11.329 7.014 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -11.071 12.236 5.985 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -11.327 10.666 6.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -11.584 12.438 8.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -10.253 11.469 8.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -10.006 12.990 8.031 1.00 0.00 H new ATOM 551 N VAL A 35 -7.019 9.247 5.324 1.00 0.00 N ATOM 552 CA VAL A 35 -5.708 9.284 5.960 1.00 0.00 C ATOM 553 C VAL A 35 -4.737 8.329 5.274 1.00 0.00 C ATOM 554 O VAL A 35 -3.520 8.503 5.349 1.00 0.00 O ATOM 555 CB VAL A 35 -5.799 8.921 7.454 1.00 0.00 C ATOM 556 CG1 VAL A 35 -4.430 9.014 8.111 1.00 0.00 C ATOM 557 CG2 VAL A 35 -6.800 9.822 8.161 1.00 0.00 C ATOM 0 H VAL A 35 -7.752 8.822 5.892 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.338 10.305 5.864 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.147 7.892 7.539 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.514 8.754 9.166 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.744 8.324 7.621 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.050 10.031 8.017 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -6.852 9.551 9.216 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.484 10.861 8.068 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.783 9.700 7.707 1.00 0.00 H new ATOM 567 N LEU A 36 -5.283 7.318 4.607 1.00 0.00 N ATOM 568 CA LEU A 36 -4.466 6.334 3.906 1.00 0.00 C ATOM 569 C LEU A 36 -4.366 6.667 2.421 1.00 0.00 C ATOM 570 O LEU A 36 -3.704 5.963 1.660 1.00 0.00 O ATOM 571 CB LEU A 36 -5.051 4.933 4.088 1.00 0.00 C ATOM 572 CG LEU A 36 -6.207 4.562 3.158 1.00 0.00 C ATOM 573 CD1 LEU A 36 -5.740 3.587 2.088 1.00 0.00 C ATOM 574 CD2 LEU A 36 -7.363 3.972 3.952 1.00 0.00 C ATOM 0 H LEU A 36 -6.288 7.158 4.537 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.464 6.361 4.333 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -4.251 4.206 3.948 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -5.394 4.835 5.118 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.557 5.469 2.666 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -6.576 3.335 1.436 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -4.946 4.046 1.499 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -5.363 2.681 2.561 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -8.176 3.714 3.274 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -7.027 3.075 4.473 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -7.715 4.703 4.679 1.00 0.00 H new ATOM 586 N ASN A 37 -5.028 7.746 2.016 1.00 0.00 N ATOM 587 CA ASN A 37 -5.012 8.174 0.622 1.00 0.00 C ATOM 588 C ASN A 37 -4.438 9.581 0.490 1.00 0.00 C ATOM 589 O ASN A 37 -4.190 10.060 -0.616 1.00 0.00 O ATOM 590 CB ASN A 37 -6.426 8.131 0.038 1.00 0.00 C ATOM 591 CG ASN A 37 -7.067 9.504 -0.026 1.00 0.00 C ATOM 592 OD1 ASN A 37 -7.107 10.229 0.968 1.00 0.00 O ATOM 593 ND2 ASN A 37 -7.572 9.867 -1.199 1.00 0.00 N ATOM 0 H ASN A 37 -5.582 8.340 2.633 1.00 0.00 H new ATOM 0 HA ASN A 37 -4.374 7.488 0.065 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -6.390 7.703 -0.964 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -7.047 7.471 0.644 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -8.016 10.780 -1.303 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -7.516 9.233 -1.996 1.00 0.00 H new ATOM 600 N GLU A 38 -4.229 10.238 1.627 1.00 0.00 N ATOM 601 CA GLU A 38 -3.685 11.590 1.639 1.00 0.00 C ATOM 602 C GLU A 38 -2.369 11.640 2.409 1.00 0.00 C ATOM 603 O GLU A 38 -1.493 12.453 2.113 1.00 0.00 O ATOM 604 CB GLU A 38 -4.689 12.563 2.260 1.00 0.00 C ATOM 605 CG GLU A 38 -4.598 12.648 3.774 1.00 0.00 C ATOM 606 CD GLU A 38 -5.648 13.564 4.372 1.00 0.00 C ATOM 607 OE1 GLU A 38 -6.303 14.297 3.601 1.00 0.00 O ATOM 608 OE2 GLU A 38 -5.815 13.548 5.609 1.00 0.00 O ATOM 0 H GLU A 38 -4.428 9.855 2.551 1.00 0.00 H new ATOM 0 HA GLU A 38 -3.494 11.886 0.607 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.529 13.555 1.839 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -5.698 12.258 1.982 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -4.709 11.650 4.197 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.607 13.005 4.055 1.00 0.00 H new ATOM 615 N LYS A 39 -2.236 10.765 3.400 1.00 0.00 N ATOM 616 CA LYS A 39 -1.028 10.707 4.214 1.00 0.00 C ATOM 617 C LYS A 39 -0.067 9.646 3.687 1.00 0.00 C ATOM 618 O LYS A 39 1.097 9.597 4.085 1.00 0.00 O ATOM 619 CB LYS A 39 -1.384 10.408 5.672 1.00 0.00 C ATOM 620 CG LYS A 39 -0.469 11.090 6.674 1.00 0.00 C ATOM 621 CD LYS A 39 -1.139 12.297 7.310 1.00 0.00 C ATOM 622 CE LYS A 39 -2.255 11.882 8.255 1.00 0.00 C ATOM 623 NZ LYS A 39 -2.421 12.849 9.376 1.00 0.00 N ATOM 0 H LYS A 39 -2.951 10.085 3.659 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.536 11.678 4.158 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -2.411 10.722 5.858 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.346 9.331 5.833 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.184 10.380 7.450 1.00 0.00 H new ATOM 0 HG3 LYS A 39 0.449 11.403 6.176 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -0.397 12.881 7.855 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -1.543 12.943 6.530 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -3.190 11.805 7.701 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -2.040 10.892 8.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -3.191 12.531 9.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -1.537 12.904 9.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -2.651 13.788 8.993 1.00 0.00 H new ATOM 637 N CYS A 40 -0.562 8.801 2.790 1.00 0.00 N ATOM 638 CA CYS A 40 0.254 7.741 2.208 1.00 0.00 C ATOM 639 C CYS A 40 -0.556 6.916 1.213 1.00 0.00 C ATOM 640 O CYS A 40 -1.113 5.875 1.562 1.00 0.00 O ATOM 641 CB CYS A 40 0.810 6.835 3.307 1.00 0.00 C ATOM 642 SG CYS A 40 -0.416 6.324 4.534 1.00 0.00 S ATOM 0 H CYS A 40 -1.523 8.829 2.450 1.00 0.00 H new ATOM 0 HA CYS A 40 1.084 8.206 1.676 1.00 0.00 H new ATOM 0 HB2 CYS A 40 1.240 5.945 2.847 1.00 0.00 H new ATOM 0 HB3 CYS A 40 1.622 7.355 3.815 1.00 0.00 H new ATOM 0 HG CYS A 40 -1.086 7.363 4.937 1.00 0.00 H new ATOM 648 N SER A 41 -0.619 7.389 -0.028 1.00 0.00 N ATOM 649 CA SER A 41 -1.366 6.698 -1.072 1.00 0.00 C ATOM 650 C SER A 41 -0.436 6.235 -2.189 1.00 0.00 C ATOM 651 O SER A 41 -0.752 5.304 -2.930 1.00 0.00 O ATOM 652 CB SER A 41 -2.451 7.613 -1.643 1.00 0.00 C ATOM 653 OG SER A 41 -2.095 8.083 -2.932 1.00 0.00 O ATOM 0 H SER A 41 -0.162 8.248 -0.334 1.00 0.00 H new ATOM 0 HA SER A 41 -1.837 5.821 -0.628 1.00 0.00 H new ATOM 0 HB2 SER A 41 -3.396 7.072 -1.698 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.607 8.459 -0.974 1.00 0.00 H new ATOM 0 HG SER A 41 -2.805 8.664 -3.276 1.00 0.00 H new ATOM 659 N VAL A 42 0.714 6.892 -2.304 1.00 0.00 N ATOM 660 CA VAL A 42 1.692 6.549 -3.330 1.00 0.00 C ATOM 661 C VAL A 42 2.900 5.843 -2.723 1.00 0.00 C ATOM 662 O VAL A 42 3.337 6.176 -1.621 1.00 0.00 O ATOM 663 CB VAL A 42 2.171 7.799 -4.090 1.00 0.00 C ATOM 664 CG1 VAL A 42 2.547 8.906 -3.117 1.00 0.00 C ATOM 665 CG2 VAL A 42 3.342 7.455 -4.997 1.00 0.00 C ATOM 0 H VAL A 42 0.991 7.665 -1.699 1.00 0.00 H new ATOM 0 HA VAL A 42 1.194 5.877 -4.029 1.00 0.00 H new ATOM 0 HB VAL A 42 1.352 8.159 -4.713 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.883 9.781 -3.673 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.678 9.171 -2.514 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.349 8.560 -2.465 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.668 8.350 -5.526 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.166 7.069 -4.397 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.033 6.699 -5.719 1.00 0.00 H new ATOM 675 N TYR A 43 3.435 4.868 -3.449 1.00 0.00 N ATOM 676 CA TYR A 43 4.592 4.114 -2.981 1.00 0.00 C ATOM 677 C TYR A 43 5.544 3.807 -4.133 1.00 0.00 C ATOM 678 O TYR A 43 5.175 3.907 -5.304 1.00 0.00 O ATOM 679 CB TYR A 43 4.143 2.811 -2.316 1.00 0.00 C ATOM 680 CG TYR A 43 2.980 2.987 -1.366 1.00 0.00 C ATOM 681 CD1 TYR A 43 1.679 3.096 -1.841 1.00 0.00 C ATOM 682 CD2 TYR A 43 3.182 3.041 0.008 1.00 0.00 C ATOM 683 CE1 TYR A 43 0.614 3.257 -0.976 1.00 0.00 C ATOM 684 CE2 TYR A 43 2.123 3.201 0.880 1.00 0.00 C ATOM 685 CZ TYR A 43 0.840 3.309 0.383 1.00 0.00 C ATOM 686 OH TYR A 43 -0.218 3.467 1.248 1.00 0.00 O ATOM 0 H TYR A 43 3.086 4.581 -4.364 1.00 0.00 H new ATOM 0 HA TYR A 43 5.120 4.725 -2.249 1.00 0.00 H new ATOM 0 HB2 TYR A 43 3.865 2.095 -3.089 1.00 0.00 H new ATOM 0 HB3 TYR A 43 4.984 2.382 -1.772 1.00 0.00 H new ATOM 0 HD1 TYR A 43 1.497 3.054 -2.905 1.00 0.00 H new ATOM 0 HD2 TYR A 43 4.185 2.956 0.401 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -0.391 3.342 -1.363 1.00 0.00 H new ATOM 0 HE2 TYR A 43 2.298 3.241 1.945 1.00 0.00 H new ATOM 0 HH TYR A 43 -0.490 4.408 1.263 1.00 0.00 H new ATOM 696 N THR A 44 6.773 3.433 -3.792 1.00 0.00 N ATOM 697 CA THR A 44 7.780 3.112 -4.796 1.00 0.00 C ATOM 698 C THR A 44 8.116 1.625 -4.781 1.00 0.00 C ATOM 699 O THR A 44 8.183 1.004 -3.721 1.00 0.00 O ATOM 700 CB THR A 44 9.072 3.921 -4.574 1.00 0.00 C ATOM 701 OG1 THR A 44 8.857 4.922 -3.573 1.00 0.00 O ATOM 702 CG2 THR A 44 9.526 4.580 -5.868 1.00 0.00 C ATOM 0 H THR A 44 7.095 3.345 -2.828 1.00 0.00 H new ATOM 0 HA THR A 44 7.356 3.376 -5.765 1.00 0.00 H new ATOM 0 HB THR A 44 9.851 3.236 -4.240 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.683 5.431 -3.436 1.00 0.00 H new ATOM 0 HG21 THR A 44 10.440 5.146 -5.687 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.716 3.814 -6.619 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.747 5.253 -6.226 1.00 0.00 H new ATOM 710 N VAL A 45 8.329 1.060 -5.966 1.00 0.00 N ATOM 711 CA VAL A 45 8.661 -0.355 -6.089 1.00 0.00 C ATOM 712 C VAL A 45 9.826 -0.564 -7.049 1.00 0.00 C ATOM 713 O VAL A 45 9.734 -0.237 -8.232 1.00 0.00 O ATOM 714 CB VAL A 45 7.452 -1.174 -6.579 1.00 0.00 C ATOM 715 CG1 VAL A 45 6.854 -0.548 -7.830 1.00 0.00 C ATOM 716 CG2 VAL A 45 7.856 -2.618 -6.836 1.00 0.00 C ATOM 0 H VAL A 45 8.278 1.560 -6.854 1.00 0.00 H new ATOM 0 HA VAL A 45 8.946 -0.701 -5.096 1.00 0.00 H new ATOM 0 HB VAL A 45 6.690 -1.167 -5.799 1.00 0.00 H new ATOM 0 HG11 VAL A 45 6.001 -1.140 -8.161 1.00 0.00 H new ATOM 0 HG12 VAL A 45 6.526 0.467 -7.608 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.606 -0.522 -8.619 1.00 0.00 H new ATOM 0 HG21 VAL A 45 6.990 -3.182 -7.182 1.00 0.00 H new ATOM 0 HG22 VAL A 45 8.636 -2.648 -7.597 1.00 0.00 H new ATOM 0 HG23 VAL A 45 8.233 -3.060 -5.914 1.00 0.00 H new ATOM 726 N GLU A 46 10.921 -1.113 -6.532 1.00 0.00 N ATOM 727 CA GLU A 46 12.104 -1.366 -7.345 1.00 0.00 C ATOM 728 C GLU A 46 11.767 -2.263 -8.533 1.00 0.00 C ATOM 729 O GLU A 46 10.620 -2.672 -8.709 1.00 0.00 O ATOM 730 CB GLU A 46 13.202 -2.014 -6.499 1.00 0.00 C ATOM 731 CG GLU A 46 14.554 -1.331 -6.629 1.00 0.00 C ATOM 732 CD GLU A 46 15.615 -2.245 -7.212 1.00 0.00 C ATOM 733 OE1 GLU A 46 15.681 -3.420 -6.795 1.00 0.00 O ATOM 734 OE2 GLU A 46 16.379 -1.783 -8.085 1.00 0.00 O ATOM 0 H GLU A 46 11.013 -1.391 -5.555 1.00 0.00 H new ATOM 0 HA GLU A 46 12.464 -0.410 -7.724 1.00 0.00 H new ATOM 0 HB2 GLU A 46 12.897 -2.002 -5.452 1.00 0.00 H new ATOM 0 HB3 GLU A 46 13.303 -3.060 -6.789 1.00 0.00 H new ATOM 0 HG2 GLU A 46 14.452 -0.449 -7.261 1.00 0.00 H new ATOM 0 HG3 GLU A 46 14.878 -0.984 -5.648 1.00 0.00 H new ATOM 741 N SER A 47 12.776 -2.563 -9.345 1.00 0.00 N ATOM 742 CA SER A 47 12.586 -3.407 -10.519 1.00 0.00 C ATOM 743 C SER A 47 12.656 -4.884 -10.144 1.00 0.00 C ATOM 744 O SER A 47 12.517 -5.760 -10.996 1.00 0.00 O ATOM 745 CB SER A 47 13.643 -3.088 -11.579 1.00 0.00 C ATOM 746 OG SER A 47 13.126 -3.269 -12.886 1.00 0.00 O ATOM 0 H SER A 47 13.732 -2.234 -9.212 1.00 0.00 H new ATOM 0 HA SER A 47 11.597 -3.200 -10.928 1.00 0.00 H new ATOM 0 HB2 SER A 47 13.984 -2.060 -11.459 1.00 0.00 H new ATOM 0 HB3 SER A 47 14.512 -3.731 -11.436 1.00 0.00 H new ATOM 0 HG SER A 47 13.820 -3.057 -13.545 1.00 0.00 H new ATOM 752 N GLY A 48 12.874 -5.152 -8.860 1.00 0.00 N ATOM 753 CA GLY A 48 12.959 -6.523 -8.392 1.00 0.00 C ATOM 754 C GLY A 48 12.150 -6.757 -7.132 1.00 0.00 C ATOM 755 O GLY A 48 12.709 -6.979 -6.057 1.00 0.00 O ATOM 0 H GLY A 48 12.993 -4.444 -8.136 1.00 0.00 H new ATOM 0 HA2 GLY A 48 12.607 -7.194 -9.176 1.00 0.00 H new ATOM 0 HA3 GLY A 48 14.002 -6.775 -8.202 1.00 0.00 H new ATOM 759 N THR A 49 10.828 -6.706 -7.261 1.00 0.00 N ATOM 760 CA THR A 49 9.940 -6.912 -6.124 1.00 0.00 C ATOM 761 C THR A 49 8.835 -7.906 -6.462 1.00 0.00 C ATOM 762 O THR A 49 8.560 -8.168 -7.632 1.00 0.00 O ATOM 763 CB THR A 49 9.301 -5.588 -5.664 1.00 0.00 C ATOM 764 OG1 THR A 49 10.192 -4.497 -5.924 1.00 0.00 O ATOM 765 CG2 THR A 49 8.968 -5.635 -4.180 1.00 0.00 C ATOM 0 H THR A 49 10.348 -6.524 -8.143 1.00 0.00 H new ATOM 0 HA THR A 49 10.550 -7.313 -5.315 1.00 0.00 H new ATOM 0 HB THR A 49 8.377 -5.443 -6.223 1.00 0.00 H new ATOM 0 HG1 THR A 49 10.067 -4.185 -6.845 1.00 0.00 H new ATOM 0 HG21 THR A 49 8.518 -4.689 -3.878 1.00 0.00 H new ATOM 0 HG22 THR A 49 8.267 -6.448 -3.990 1.00 0.00 H new ATOM 0 HG23 THR A 49 9.880 -5.802 -3.607 1.00 0.00 H new ATOM 773 N GLU A 50 8.205 -8.456 -5.429 1.00 0.00 N ATOM 774 CA GLU A 50 7.129 -9.422 -5.618 1.00 0.00 C ATOM 775 C GLU A 50 5.802 -8.865 -5.111 1.00 0.00 C ATOM 776 O GLU A 50 5.774 -7.972 -4.265 1.00 0.00 O ATOM 777 CB GLU A 50 7.455 -10.731 -4.894 1.00 0.00 C ATOM 778 CG GLU A 50 8.057 -11.793 -5.799 1.00 0.00 C ATOM 779 CD GLU A 50 7.179 -13.023 -5.918 1.00 0.00 C ATOM 780 OE1 GLU A 50 6.130 -12.940 -6.592 1.00 0.00 O ATOM 781 OE2 GLU A 50 7.539 -14.068 -5.338 1.00 0.00 O ATOM 0 H GLU A 50 8.421 -8.250 -4.454 1.00 0.00 H new ATOM 0 HA GLU A 50 7.036 -9.619 -6.686 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.149 -10.523 -4.080 1.00 0.00 H new ATOM 0 HB3 GLU A 50 6.544 -11.124 -4.443 1.00 0.00 H new ATOM 0 HG2 GLU A 50 8.220 -11.370 -6.790 1.00 0.00 H new ATOM 0 HG3 GLU A 50 9.033 -12.084 -5.412 1.00 0.00 H new ATOM 788 N VAL A 51 4.703 -9.400 -5.635 1.00 0.00 N ATOM 789 CA VAL A 51 3.373 -8.957 -5.237 1.00 0.00 C ATOM 790 C VAL A 51 3.128 -9.218 -3.755 1.00 0.00 C ATOM 791 O VAL A 51 2.215 -8.650 -3.155 1.00 0.00 O ATOM 792 CB VAL A 51 2.277 -9.662 -6.059 1.00 0.00 C ATOM 793 CG1 VAL A 51 0.927 -9.001 -5.826 1.00 0.00 C ATOM 794 CG2 VAL A 51 2.635 -9.656 -7.537 1.00 0.00 C ATOM 0 H VAL A 51 4.708 -10.141 -6.336 1.00 0.00 H new ATOM 0 HA VAL A 51 3.326 -7.885 -5.427 1.00 0.00 H new ATOM 0 HB VAL A 51 2.208 -10.699 -5.729 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.165 -9.512 -6.415 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.670 -9.062 -4.769 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.977 -7.955 -6.128 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.851 -10.158 -8.103 1.00 0.00 H new ATOM 0 HG22 VAL A 51 2.731 -8.627 -7.884 1.00 0.00 H new ATOM 0 HG23 VAL A 51 3.580 -10.179 -7.685 1.00 0.00 H new ATOM 804 N THR A 52 3.950 -10.083 -3.168 1.00 0.00 N ATOM 805 CA THR A 52 3.823 -10.420 -1.756 1.00 0.00 C ATOM 806 C THR A 52 4.653 -9.481 -0.889 1.00 0.00 C ATOM 807 O THR A 52 4.366 -9.297 0.293 1.00 0.00 O ATOM 808 CB THR A 52 4.260 -11.872 -1.484 1.00 0.00 C ATOM 809 OG1 THR A 52 4.243 -12.133 -0.076 1.00 0.00 O ATOM 810 CG2 THR A 52 5.655 -12.130 -2.036 1.00 0.00 C ATOM 0 H THR A 52 4.711 -10.563 -3.649 1.00 0.00 H new ATOM 0 HA THR A 52 2.769 -10.311 -1.499 1.00 0.00 H new ATOM 0 HB THR A 52 3.559 -12.539 -1.985 1.00 0.00 H new ATOM 0 HG1 THR A 52 4.520 -13.058 0.089 1.00 0.00 H new ATOM 0 HG21 THR A 52 5.942 -13.162 -1.832 1.00 0.00 H new ATOM 0 HG22 THR A 52 5.658 -11.959 -3.112 1.00 0.00 H new ATOM 0 HG23 THR A 52 6.366 -11.455 -1.559 1.00 0.00 H new ATOM 818 N GLU A 53 5.683 -8.888 -1.485 1.00 0.00 N ATOM 819 CA GLU A 53 6.555 -7.967 -0.765 1.00 0.00 C ATOM 820 C GLU A 53 5.795 -6.711 -0.350 1.00 0.00 C ATOM 821 O GLU A 53 6.112 -6.086 0.662 1.00 0.00 O ATOM 822 CB GLU A 53 7.758 -7.586 -1.631 1.00 0.00 C ATOM 823 CG GLU A 53 9.085 -7.657 -0.894 1.00 0.00 C ATOM 824 CD GLU A 53 10.029 -8.683 -1.490 1.00 0.00 C ATOM 825 OE1 GLU A 53 9.678 -9.881 -1.495 1.00 0.00 O ATOM 826 OE2 GLU A 53 11.120 -8.286 -1.952 1.00 0.00 O ATOM 0 H GLU A 53 5.934 -9.029 -2.464 1.00 0.00 H new ATOM 0 HA GLU A 53 6.909 -8.470 0.135 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.797 -8.248 -2.496 1.00 0.00 H new ATOM 0 HB3 GLU A 53 7.616 -6.574 -2.010 1.00 0.00 H new ATOM 0 HG2 GLU A 53 9.560 -6.676 -0.914 1.00 0.00 H new ATOM 0 HG3 GLU A 53 8.903 -7.901 0.152 1.00 0.00 H new ATOM 833 N PHE A 54 4.790 -6.347 -1.139 1.00 0.00 N ATOM 834 CA PHE A 54 3.984 -5.165 -0.856 1.00 0.00 C ATOM 835 C PHE A 54 2.961 -5.453 0.239 1.00 0.00 C ATOM 836 O PHE A 54 2.392 -4.535 0.828 1.00 0.00 O ATOM 837 CB PHE A 54 3.272 -4.691 -2.124 1.00 0.00 C ATOM 838 CG PHE A 54 4.119 -4.790 -3.360 1.00 0.00 C ATOM 839 CD1 PHE A 54 5.342 -4.142 -3.432 1.00 0.00 C ATOM 840 CD2 PHE A 54 3.693 -5.531 -4.451 1.00 0.00 C ATOM 841 CE1 PHE A 54 6.123 -4.231 -4.569 1.00 0.00 C ATOM 842 CE2 PHE A 54 4.469 -5.624 -5.590 1.00 0.00 C ATOM 843 CZ PHE A 54 5.687 -4.974 -5.649 1.00 0.00 C ATOM 0 H PHE A 54 4.514 -6.854 -1.980 1.00 0.00 H new ATOM 0 HA PHE A 54 4.651 -4.377 -0.507 1.00 0.00 H new ATOM 0 HB2 PHE A 54 2.367 -5.282 -2.265 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.959 -3.656 -1.990 1.00 0.00 H new ATOM 0 HD1 PHE A 54 5.689 -3.561 -2.590 1.00 0.00 H new ATOM 0 HD2 PHE A 54 2.742 -6.042 -4.410 1.00 0.00 H new ATOM 0 HE1 PHE A 54 7.073 -3.720 -4.613 1.00 0.00 H new ATOM 0 HE2 PHE A 54 4.124 -6.204 -6.433 1.00 0.00 H new ATOM 0 HZ PHE A 54 6.297 -5.047 -6.537 1.00 0.00 H new ATOM 853 N ALA A 55 2.733 -6.735 0.504 1.00 0.00 N ATOM 854 CA ALA A 55 1.780 -7.146 1.528 1.00 0.00 C ATOM 855 C ALA A 55 2.367 -6.974 2.925 1.00 0.00 C ATOM 856 O ALA A 55 1.690 -7.210 3.926 1.00 0.00 O ATOM 857 CB ALA A 55 1.356 -8.590 1.305 1.00 0.00 C ATOM 0 H ALA A 55 3.195 -7.507 0.024 1.00 0.00 H new ATOM 0 HA ALA A 55 0.902 -6.505 1.450 1.00 0.00 H new ATOM 0 HB1 ALA A 55 0.644 -8.884 2.077 1.00 0.00 H new ATOM 0 HB2 ALA A 55 0.888 -8.685 0.325 1.00 0.00 H new ATOM 0 HB3 ALA A 55 2.231 -9.238 1.353 1.00 0.00 H new ATOM 863 N CYS A 56 3.629 -6.563 2.984 1.00 0.00 N ATOM 864 CA CYS A 56 4.308 -6.361 4.260 1.00 0.00 C ATOM 865 C CYS A 56 4.764 -4.913 4.409 1.00 0.00 C ATOM 866 O CYS A 56 5.406 -4.553 5.396 1.00 0.00 O ATOM 867 CB CYS A 56 5.507 -7.302 4.377 1.00 0.00 C ATOM 868 SG CYS A 56 5.354 -8.534 5.692 1.00 0.00 S ATOM 0 H CYS A 56 4.202 -6.363 2.164 1.00 0.00 H new ATOM 0 HA CYS A 56 3.602 -6.584 5.060 1.00 0.00 H new ATOM 0 HB2 CYS A 56 5.645 -7.817 3.426 1.00 0.00 H new ATOM 0 HB3 CYS A 56 6.405 -6.709 4.552 1.00 0.00 H new ATOM 0 HG CYS A 56 6.416 -9.284 5.710 1.00 0.00 H new ATOM 874 N VAL A 57 4.431 -4.088 3.422 1.00 0.00 N ATOM 875 CA VAL A 57 4.807 -2.680 3.443 1.00 0.00 C ATOM 876 C VAL A 57 3.576 -1.782 3.472 1.00 0.00 C ATOM 877 O VAL A 57 3.629 -0.652 3.958 1.00 0.00 O ATOM 878 CB VAL A 57 5.670 -2.311 2.221 1.00 0.00 C ATOM 879 CG1 VAL A 57 4.821 -2.279 0.959 1.00 0.00 C ATOM 880 CG2 VAL A 57 6.362 -0.974 2.442 1.00 0.00 C ATOM 0 H VAL A 57 3.901 -4.371 2.597 1.00 0.00 H new ATOM 0 HA VAL A 57 5.389 -2.522 4.351 1.00 0.00 H new ATOM 0 HB VAL A 57 6.437 -3.075 2.095 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.447 -2.017 0.106 1.00 0.00 H new ATOM 0 HG12 VAL A 57 4.376 -3.261 0.795 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.031 -1.537 1.071 1.00 0.00 H new ATOM 0 HG21 VAL A 57 6.967 -0.729 1.569 1.00 0.00 H new ATOM 0 HG22 VAL A 57 5.613 -0.197 2.594 1.00 0.00 H new ATOM 0 HG23 VAL A 57 7.003 -1.037 3.322 1.00 0.00 H new ATOM 890 N VAL A 58 2.466 -2.292 2.948 1.00 0.00 N ATOM 891 CA VAL A 58 1.219 -1.538 2.914 1.00 0.00 C ATOM 892 C VAL A 58 0.311 -1.924 4.077 1.00 0.00 C ATOM 893 O VAL A 58 -0.767 -1.358 4.251 1.00 0.00 O ATOM 894 CB VAL A 58 0.463 -1.761 1.591 1.00 0.00 C ATOM 895 CG1 VAL A 58 -0.694 -0.781 1.465 1.00 0.00 C ATOM 896 CG2 VAL A 58 1.411 -1.634 0.408 1.00 0.00 C ATOM 0 H VAL A 58 2.405 -3.225 2.541 1.00 0.00 H new ATOM 0 HA VAL A 58 1.485 -0.484 2.998 1.00 0.00 H new ATOM 0 HB VAL A 58 0.054 -2.771 1.593 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -1.216 -0.954 0.524 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -1.385 -0.925 2.295 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -0.311 0.239 1.485 1.00 0.00 H new ATOM 0 HG21 VAL A 58 0.860 -1.795 -0.519 1.00 0.00 H new ATOM 0 HG22 VAL A 58 1.852 -0.637 0.400 1.00 0.00 H new ATOM 0 HG23 VAL A 58 2.202 -2.379 0.494 1.00 0.00 H new ATOM 906 N ALA A 59 0.756 -2.893 4.871 1.00 0.00 N ATOM 907 CA ALA A 59 -0.015 -3.354 6.019 1.00 0.00 C ATOM 908 C ALA A 59 0.506 -2.737 7.313 1.00 0.00 C ATOM 909 O ALA A 59 -0.214 -2.663 8.308 1.00 0.00 O ATOM 910 CB ALA A 59 0.022 -4.873 6.103 1.00 0.00 C ATOM 0 H ALA A 59 1.646 -3.374 4.740 1.00 0.00 H new ATOM 0 HA ALA A 59 -1.048 -3.034 5.885 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.558 -5.204 6.965 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -0.404 -5.298 5.194 1.00 0.00 H new ATOM 0 HB3 ALA A 59 1.054 -5.206 6.210 1.00 0.00 H new ATOM 916 N GLU A 60 1.760 -2.298 7.291 1.00 0.00 N ATOM 917 CA GLU A 60 2.376 -1.689 8.464 1.00 0.00 C ATOM 918 C GLU A 60 2.511 -0.180 8.287 1.00 0.00 C ATOM 919 O GLU A 60 2.120 0.596 9.159 1.00 0.00 O ATOM 920 CB GLU A 60 3.751 -2.308 8.724 1.00 0.00 C ATOM 921 CG GLU A 60 3.915 -3.698 8.135 1.00 0.00 C ATOM 922 CD GLU A 60 4.995 -4.504 8.830 1.00 0.00 C ATOM 923 OE1 GLU A 60 6.188 -4.193 8.632 1.00 0.00 O ATOM 924 OE2 GLU A 60 4.646 -5.446 9.573 1.00 0.00 O ATOM 0 H GLU A 60 2.369 -2.353 6.475 1.00 0.00 H new ATOM 0 HA GLU A 60 1.731 -1.880 9.322 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.518 -1.654 8.309 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.921 -2.356 9.800 1.00 0.00 H new ATOM 0 HG2 GLU A 60 2.967 -4.232 8.205 1.00 0.00 H new ATOM 0 HG3 GLU A 60 4.156 -3.613 7.075 1.00 0.00 H new ATOM 931 N ALA A 61 3.067 0.229 7.151 1.00 0.00 N ATOM 932 CA ALA A 61 3.252 1.645 6.858 1.00 0.00 C ATOM 933 C ALA A 61 1.953 2.420 7.052 1.00 0.00 C ATOM 934 O ALA A 61 1.970 3.602 7.396 1.00 0.00 O ATOM 935 CB ALA A 61 3.771 1.827 5.439 1.00 0.00 C ATOM 0 H ALA A 61 3.397 -0.400 6.419 1.00 0.00 H new ATOM 0 HA ALA A 61 3.989 2.042 7.556 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.904 2.889 5.234 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.727 1.314 5.333 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.054 1.408 4.733 1.00 0.00 H new ATOM 941 N VAL A 62 0.829 1.748 6.828 1.00 0.00 N ATOM 942 CA VAL A 62 -0.479 2.374 6.978 1.00 0.00 C ATOM 943 C VAL A 62 -0.836 2.555 8.449 1.00 0.00 C ATOM 944 O VAL A 62 -1.248 3.635 8.871 1.00 0.00 O ATOM 945 CB VAL A 62 -1.581 1.544 6.293 1.00 0.00 C ATOM 946 CG1 VAL A 62 -2.948 2.165 6.537 1.00 0.00 C ATOM 947 CG2 VAL A 62 -1.302 1.418 4.802 1.00 0.00 C ATOM 0 H VAL A 62 0.798 0.769 6.542 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.419 3.351 6.498 1.00 0.00 H new ATOM 0 HB VAL A 62 -1.581 0.544 6.726 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -3.713 1.565 6.045 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -3.146 2.199 7.608 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.965 3.177 6.132 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -2.090 0.829 4.333 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.274 2.410 4.352 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -0.342 0.925 4.652 1.00 0.00 H new ATOM 957 N VAL A 63 -0.674 1.489 9.227 1.00 0.00 N ATOM 958 CA VAL A 63 -0.977 1.530 10.653 1.00 0.00 C ATOM 959 C VAL A 63 -0.357 2.757 11.311 1.00 0.00 C ATOM 960 O VAL A 63 -0.993 3.426 12.127 1.00 0.00 O ATOM 961 CB VAL A 63 -0.471 0.265 11.371 1.00 0.00 C ATOM 962 CG1 VAL A 63 -0.600 0.419 12.879 1.00 0.00 C ATOM 963 CG2 VAL A 63 -1.228 -0.962 10.885 1.00 0.00 C ATOM 0 H VAL A 63 -0.335 0.587 8.894 1.00 0.00 H new ATOM 0 HA VAL A 63 -2.062 1.581 10.745 1.00 0.00 H new ATOM 0 HB VAL A 63 0.584 0.130 11.133 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.238 -0.485 13.369 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.009 1.273 13.209 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.646 0.579 13.140 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -0.858 -1.847 11.403 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -2.291 -0.839 11.092 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -1.078 -1.080 9.812 1.00 0.00 H new ATOM 973 N LYS A 64 0.888 3.049 10.952 1.00 0.00 N ATOM 974 CA LYS A 64 1.596 4.197 11.506 1.00 0.00 C ATOM 975 C LYS A 64 0.761 5.467 11.372 1.00 0.00 C ATOM 976 O LYS A 64 0.573 6.205 12.340 1.00 0.00 O ATOM 977 CB LYS A 64 2.942 4.382 10.802 1.00 0.00 C ATOM 978 CG LYS A 64 3.762 3.106 10.713 1.00 0.00 C ATOM 979 CD LYS A 64 5.164 3.380 10.196 1.00 0.00 C ATOM 980 CE LYS A 64 6.158 2.350 10.710 1.00 0.00 C ATOM 981 NZ LYS A 64 7.284 2.142 9.757 1.00 0.00 N ATOM 0 H LYS A 64 1.428 2.506 10.279 1.00 0.00 H new ATOM 0 HA LYS A 64 1.771 4.008 12.565 1.00 0.00 H new ATOM 0 HB2 LYS A 64 2.767 4.762 9.796 1.00 0.00 H new ATOM 0 HB3 LYS A 64 3.519 5.139 11.333 1.00 0.00 H new ATOM 0 HG2 LYS A 64 3.820 2.640 11.697 1.00 0.00 H new ATOM 0 HG3 LYS A 64 3.262 2.396 10.054 1.00 0.00 H new ATOM 0 HD2 LYS A 64 5.159 3.371 9.106 1.00 0.00 H new ATOM 0 HD3 LYS A 64 5.479 4.377 10.505 1.00 0.00 H new ATOM 0 HE2 LYS A 64 6.552 2.675 11.673 1.00 0.00 H new ATOM 0 HE3 LYS A 64 5.645 1.403 10.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 7.939 1.433 10.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 6.910 1.808 8.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 7.789 3.040 9.615 1.00 0.00 H new ATOM 995 N THR A 65 0.262 5.717 10.165 1.00 0.00 N ATOM 996 CA THR A 65 -0.553 6.897 9.905 1.00 0.00 C ATOM 997 C THR A 65 -2.024 6.625 10.197 1.00 0.00 C ATOM 998 O THR A 65 -2.874 7.501 10.028 1.00 0.00 O ATOM 999 CB THR A 65 -0.410 7.367 8.445 1.00 0.00 C ATOM 1000 OG1 THR A 65 -1.024 6.421 7.563 1.00 0.00 O ATOM 1001 CG2 THR A 65 1.055 7.537 8.072 1.00 0.00 C ATOM 0 H THR A 65 0.408 5.118 9.353 1.00 0.00 H new ATOM 0 HA THR A 65 -0.193 7.682 10.569 1.00 0.00 H new ATOM 0 HB THR A 65 -0.908 8.331 8.347 1.00 0.00 H new ATOM 0 HG1 THR A 65 -0.809 6.651 6.635 1.00 0.00 H new ATOM 0 HG21 THR A 65 1.131 7.869 7.037 1.00 0.00 H new ATOM 0 HG22 THR A 65 1.513 8.279 8.726 1.00 0.00 H new ATOM 0 HG23 THR A 65 1.572 6.584 8.186 1.00 0.00 H new ATOM 1009 N LEU A 66 -2.320 5.406 10.636 1.00 0.00 N ATOM 1010 CA LEU A 66 -3.690 5.019 10.953 1.00 0.00 C ATOM 1011 C LEU A 66 -3.799 4.535 12.396 1.00 0.00 C ATOM 1012 O LEU A 66 -4.640 3.695 12.716 1.00 0.00 O ATOM 1013 CB LEU A 66 -4.165 3.922 9.998 1.00 0.00 C ATOM 1014 CG LEU A 66 -4.771 4.399 8.678 1.00 0.00 C ATOM 1015 CD1 LEU A 66 -6.146 5.006 8.910 1.00 0.00 C ATOM 1016 CD2 LEU A 66 -3.850 5.403 7.999 1.00 0.00 C ATOM 0 H LEU A 66 -1.630 4.669 10.780 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.326 5.896 10.834 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.319 3.273 9.773 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -4.906 3.313 10.516 1.00 0.00 H new ATOM 0 HG LEU A 66 -4.883 3.537 8.020 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -6.561 5.340 7.959 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -6.804 4.258 9.351 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -6.059 5.856 9.586 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -4.298 5.731 7.061 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -3.705 6.263 8.652 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.887 4.934 7.797 1.00 0.00 H new ATOM 1028 N GLN A 67 -2.946 5.073 13.261 1.00 0.00 N ATOM 1029 CA GLN A 67 -2.948 4.696 14.670 1.00 0.00 C ATOM 1030 C GLN A 67 -3.053 5.928 15.562 1.00 0.00 C ATOM 1031 O GLN A 67 -2.457 5.998 16.638 1.00 0.00 O ATOM 1032 CB GLN A 67 -1.681 3.910 15.011 1.00 0.00 C ATOM 1033 CG GLN A 67 -0.397 4.648 14.669 1.00 0.00 C ATOM 1034 CD GLN A 67 0.445 4.952 15.893 1.00 0.00 C ATOM 1035 OE1 GLN A 67 0.467 6.083 16.380 1.00 0.00 O ATOM 1036 NE2 GLN A 67 1.145 3.942 16.396 1.00 0.00 N ATOM 0 H GLN A 67 -2.245 5.771 13.012 1.00 0.00 H new ATOM 0 HA GLN A 67 -3.818 4.064 14.851 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -1.684 3.677 16.076 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -1.698 2.960 14.477 1.00 0.00 H new ATOM 0 HG2 GLN A 67 0.187 4.049 13.971 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -0.643 5.581 14.161 1.00 0.00 H new ATOM 0 HE21 GLN A 67 1.097 3.021 15.960 1.00 0.00 H new ATOM 0 HE22 GLN A 67 1.731 4.087 17.218 1.00 0.00 H new ATOM 1045 N PRO A 68 -3.827 6.925 15.108 1.00 0.00 N ATOM 1046 CA PRO A 68 -4.028 8.173 15.850 1.00 0.00 C ATOM 1047 C PRO A 68 -4.860 7.969 17.111 1.00 0.00 C ATOM 1048 O PRO A 68 -4.486 8.420 18.194 1.00 0.00 O ATOM 1049 CB PRO A 68 -4.775 9.062 14.853 1.00 0.00 C ATOM 1050 CG PRO A 68 -5.467 8.109 13.940 1.00 0.00 C ATOM 1051 CD PRO A 68 -4.566 6.910 13.835 1.00 0.00 C ATOM 0 HA PRO A 68 -3.086 8.598 16.197 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -5.487 9.713 15.360 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -4.088 9.707 14.305 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -6.444 7.830 14.335 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -5.635 8.558 12.961 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -5.136 5.989 13.712 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -3.894 6.986 12.980 1.00 0.00 H new ATOM 1059 N VAL A 69 -5.992 7.288 16.964 1.00 0.00 N ATOM 1060 CA VAL A 69 -6.877 7.023 18.092 1.00 0.00 C ATOM 1061 C VAL A 69 -7.605 5.695 17.920 1.00 0.00 C ATOM 1062 O VAL A 69 -8.831 5.655 17.823 1.00 0.00 O ATOM 1063 CB VAL A 69 -7.917 8.147 18.265 1.00 0.00 C ATOM 1064 CG1 VAL A 69 -7.288 9.358 18.936 1.00 0.00 C ATOM 1065 CG2 VAL A 69 -8.521 8.525 16.921 1.00 0.00 C ATOM 0 H VAL A 69 -6.318 6.910 16.075 1.00 0.00 H new ATOM 0 HA VAL A 69 -6.250 6.977 18.982 1.00 0.00 H new ATOM 0 HB VAL A 69 -8.718 7.781 18.907 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.038 10.141 19.050 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -6.908 9.074 19.917 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -6.467 9.728 18.323 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -9.253 9.320 17.062 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -7.733 8.872 16.253 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -9.010 7.654 16.484 1.00 0.00 H new ATOM 1075 N SER A 70 -6.840 4.608 17.883 1.00 0.00 N ATOM 1076 CA SER A 70 -7.412 3.277 17.719 1.00 0.00 C ATOM 1077 C SER A 70 -8.175 2.855 18.971 1.00 0.00 C ATOM 1078 O SER A 70 -8.893 1.855 18.967 1.00 0.00 O ATOM 1079 CB SER A 70 -6.310 2.260 17.414 1.00 0.00 C ATOM 1080 OG SER A 70 -5.272 2.327 18.376 1.00 0.00 O ATOM 0 H SER A 70 -5.823 4.623 17.964 1.00 0.00 H new ATOM 0 HA SER A 70 -8.110 3.309 16.882 1.00 0.00 H new ATOM 0 HB2 SER A 70 -6.732 1.255 17.400 1.00 0.00 H new ATOM 0 HB3 SER A 70 -5.902 2.448 16.421 1.00 0.00 H new ATOM 0 HG SER A 70 -4.582 1.666 18.159 1.00 0.00 H new ATOM 1086 N ASP A 71 -8.015 3.626 20.041 1.00 0.00 N ATOM 1087 CA ASP A 71 -8.689 3.335 21.301 1.00 0.00 C ATOM 1088 C ASP A 71 -10.200 3.492 21.158 1.00 0.00 C ATOM 1089 O ASP A 71 -10.965 3.063 22.023 1.00 0.00 O ATOM 1090 CB ASP A 71 -8.171 4.256 22.407 1.00 0.00 C ATOM 1091 CG ASP A 71 -8.454 5.717 22.123 1.00 0.00 C ATOM 1092 OD1 ASP A 71 -8.071 6.196 21.035 1.00 0.00 O ATOM 1093 OD2 ASP A 71 -9.060 6.383 22.989 1.00 0.00 O ATOM 0 H ASP A 71 -7.424 4.457 20.061 1.00 0.00 H new ATOM 0 HA ASP A 71 -8.472 2.301 21.569 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -8.633 3.977 23.354 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -7.097 4.113 22.522 1.00 0.00 H new ATOM 1098 N LEU A 72 -10.624 4.111 20.062 1.00 0.00 N ATOM 1099 CA LEU A 72 -12.044 4.327 19.806 1.00 0.00 C ATOM 1100 C LEU A 72 -12.558 3.362 18.742 1.00 0.00 C ATOM 1101 O LEU A 72 -13.753 3.071 18.678 1.00 0.00 O ATOM 1102 CB LEU A 72 -12.288 5.770 19.361 1.00 0.00 C ATOM 1103 CG LEU A 72 -11.896 6.105 17.922 1.00 0.00 C ATOM 1104 CD1 LEU A 72 -13.063 5.856 16.979 1.00 0.00 C ATOM 1105 CD2 LEU A 72 -11.424 7.548 17.820 1.00 0.00 C ATOM 0 H LEU A 72 -10.005 4.472 19.336 1.00 0.00 H new ATOM 0 HA LEU A 72 -12.587 4.141 20.732 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -13.347 5.994 19.489 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -11.739 6.433 20.030 1.00 0.00 H new ATOM 0 HG LEU A 72 -11.073 5.453 17.629 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -12.765 6.100 15.959 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -13.355 4.807 17.031 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -13.906 6.482 17.270 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -11.149 7.769 16.789 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -12.226 8.216 18.133 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -10.558 7.694 18.466 1.00 0.00 H new ATOM 1117 N LEU A 73 -11.648 2.866 17.911 1.00 0.00 N ATOM 1118 CA LEU A 73 -12.008 1.930 16.852 1.00 0.00 C ATOM 1119 C LEU A 73 -12.216 0.527 17.412 1.00 0.00 C ATOM 1120 O LEU A 73 -12.944 -0.283 16.836 1.00 0.00 O ATOM 1121 CB LEU A 73 -10.923 1.906 15.775 1.00 0.00 C ATOM 1122 CG LEU A 73 -10.335 3.262 15.383 1.00 0.00 C ATOM 1123 CD1 LEU A 73 -9.108 3.079 14.504 1.00 0.00 C ATOM 1124 CD2 LEU A 73 -11.379 4.112 14.674 1.00 0.00 C ATOM 0 H LEU A 73 -10.655 3.097 17.950 1.00 0.00 H new ATOM 0 HA LEU A 73 -12.945 2.266 16.408 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -10.111 1.267 16.120 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -11.337 1.440 14.881 1.00 0.00 H new ATOM 0 HG LEU A 73 -10.031 3.780 16.293 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -8.704 4.055 14.235 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -8.353 2.511 15.047 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -9.386 2.540 13.598 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -10.942 5.073 14.403 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -11.715 3.599 13.773 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -12.228 4.274 15.338 1.00 0.00 H new ATOM 1136 N THR A 74 -11.573 0.244 18.541 1.00 0.00 N ATOM 1137 CA THR A 74 -11.688 -1.060 19.180 1.00 0.00 C ATOM 1138 C THR A 74 -13.111 -1.312 19.665 1.00 0.00 C ATOM 1139 O THR A 74 -13.496 -2.450 19.928 1.00 0.00 O ATOM 1140 CB THR A 74 -10.721 -1.189 20.372 1.00 0.00 C ATOM 1141 OG1 THR A 74 -9.863 -0.044 20.433 1.00 0.00 O ATOM 1142 CG2 THR A 74 -9.882 -2.452 20.255 1.00 0.00 C ATOM 0 H THR A 74 -10.967 0.902 19.031 1.00 0.00 H new ATOM 0 HA THR A 74 -11.427 -1.804 18.428 1.00 0.00 H new ATOM 0 HB THR A 74 -11.312 -1.249 21.286 1.00 0.00 H new ATOM 0 HG1 THR A 74 -9.516 0.153 19.538 1.00 0.00 H new ATOM 0 HG21 THR A 74 -9.207 -2.521 21.108 1.00 0.00 H new ATOM 0 HG22 THR A 74 -10.537 -3.323 20.239 1.00 0.00 H new ATOM 0 HG23 THR A 74 -9.300 -2.418 19.334 1.00 0.00 H new ATOM 1150 N ASN A 75 -13.890 -0.241 19.781 1.00 0.00 N ATOM 1151 CA ASN A 75 -15.272 -0.346 20.234 1.00 0.00 C ATOM 1152 C ASN A 75 -16.243 -0.120 19.079 1.00 0.00 C ATOM 1153 O ASN A 75 -17.453 -0.285 19.230 1.00 0.00 O ATOM 1154 CB ASN A 75 -15.543 0.667 21.349 1.00 0.00 C ATOM 1155 CG ASN A 75 -15.198 2.085 20.938 1.00 0.00 C ATOM 1156 OD1 ASN A 75 -14.172 2.630 21.348 1.00 0.00 O ATOM 1157 ND2 ASN A 75 -16.055 2.691 20.124 1.00 0.00 N ATOM 0 H ASN A 75 -13.587 0.709 19.567 1.00 0.00 H new ATOM 0 HA ASN A 75 -15.425 -1.353 20.621 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -16.595 0.619 21.632 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -14.963 0.396 22.231 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -15.875 3.646 19.814 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -16.893 2.201 19.809 1.00 0.00 H new ATOM 1164 N MET A 76 -15.702 0.258 17.925 1.00 0.00 N ATOM 1165 CA MET A 76 -16.521 0.505 16.743 1.00 0.00 C ATOM 1166 C MET A 76 -16.577 -0.732 15.853 1.00 0.00 C ATOM 1167 O MET A 76 -17.533 -0.926 15.104 1.00 0.00 O ATOM 1168 CB MET A 76 -15.967 1.692 15.952 1.00 0.00 C ATOM 1169 CG MET A 76 -16.760 2.974 16.146 1.00 0.00 C ATOM 1170 SD MET A 76 -16.611 4.101 14.746 1.00 0.00 S ATOM 1171 CE MET A 76 -14.847 4.033 14.443 1.00 0.00 C ATOM 0 H MET A 76 -14.702 0.400 17.783 1.00 0.00 H new ATOM 0 HA MET A 76 -17.533 0.739 17.074 1.00 0.00 H new ATOM 0 HB2 MET A 76 -14.933 1.866 16.249 1.00 0.00 H new ATOM 0 HB3 MET A 76 -15.956 1.438 14.892 1.00 0.00 H new ATOM 0 HG2 MET A 76 -17.811 2.727 16.299 1.00 0.00 H new ATOM 0 HG3 MET A 76 -16.416 3.476 17.050 1.00 0.00 H new ATOM 0 HE1 MET A 76 -14.484 5.027 14.184 1.00 0.00 H new ATOM 0 HE2 MET A 76 -14.337 3.683 15.340 1.00 0.00 H new ATOM 0 HE3 MET A 76 -14.645 3.347 13.620 1.00 0.00 H new ATOM 1181 N GLY A 77 -15.545 -1.566 15.940 1.00 0.00 N ATOM 1182 CA GLY A 77 -15.498 -2.774 15.137 1.00 0.00 C ATOM 1183 C GLY A 77 -14.281 -2.823 14.235 1.00 0.00 C ATOM 1184 O GLY A 77 -14.238 -3.600 13.280 1.00 0.00 O ATOM 0 H GLY A 77 -14.741 -1.427 16.552 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -15.495 -3.644 15.794 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -16.400 -2.838 14.529 1.00 0.00 H new ATOM 1188 N ILE A 78 -13.290 -1.990 14.536 1.00 0.00 N ATOM 1189 CA ILE A 78 -12.067 -1.942 13.744 1.00 0.00 C ATOM 1190 C ILE A 78 -10.832 -2.036 14.634 1.00 0.00 C ATOM 1191 O ILE A 78 -10.501 -1.094 15.355 1.00 0.00 O ATOM 1192 CB ILE A 78 -11.987 -0.650 12.910 1.00 0.00 C ATOM 1193 CG1 ILE A 78 -13.081 -0.640 11.840 1.00 0.00 C ATOM 1194 CG2 ILE A 78 -10.613 -0.516 12.271 1.00 0.00 C ATOM 1195 CD1 ILE A 78 -13.159 0.659 11.068 1.00 0.00 C ATOM 0 H ILE A 78 -13.310 -1.340 15.322 1.00 0.00 H new ATOM 0 HA ILE A 78 -12.093 -2.799 13.071 1.00 0.00 H new ATOM 0 HB ILE A 78 -12.143 0.202 13.571 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -12.903 -1.458 11.142 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -14.044 -0.830 12.314 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -10.572 0.402 11.685 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -9.851 -0.483 13.050 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -10.430 -1.371 11.620 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -13.956 0.595 10.327 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -13.368 1.479 11.755 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -12.209 0.841 10.565 1.00 0.00 H new ATOM 1207 N ASP A 79 -10.154 -3.177 14.577 1.00 0.00 N ATOM 1208 CA ASP A 79 -8.953 -3.393 15.376 1.00 0.00 C ATOM 1209 C ASP A 79 -7.721 -2.845 14.664 1.00 0.00 C ATOM 1210 O ASP A 79 -7.486 -3.138 13.490 1.00 0.00 O ATOM 1211 CB ASP A 79 -8.769 -4.883 15.666 1.00 0.00 C ATOM 1212 CG ASP A 79 -8.625 -5.172 17.147 1.00 0.00 C ATOM 1213 OD1 ASP A 79 -9.658 -5.205 17.848 1.00 0.00 O ATOM 1214 OD2 ASP A 79 -7.480 -5.365 17.605 1.00 0.00 O ATOM 0 H ASP A 79 -10.415 -3.966 13.986 1.00 0.00 H new ATOM 0 HA ASP A 79 -9.073 -2.859 16.319 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -9.623 -5.435 15.273 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -7.886 -5.246 15.141 1.00 0.00 H new ATOM 1219 N LEU A 80 -6.936 -2.047 15.380 1.00 0.00 N ATOM 1220 CA LEU A 80 -5.727 -1.456 14.816 1.00 0.00 C ATOM 1221 C LEU A 80 -4.521 -2.362 15.042 1.00 0.00 C ATOM 1222 O LEU A 80 -3.591 -2.388 14.236 1.00 0.00 O ATOM 1223 CB LEU A 80 -5.470 -0.082 15.437 1.00 0.00 C ATOM 1224 CG LEU A 80 -4.449 0.800 14.717 1.00 0.00 C ATOM 1225 CD1 LEU A 80 -3.033 0.340 15.030 1.00 0.00 C ATOM 1226 CD2 LEU A 80 -4.696 0.786 13.215 1.00 0.00 C ATOM 0 H LEU A 80 -7.115 -1.794 16.352 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.876 -1.341 13.742 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -6.417 0.456 15.483 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -5.135 -0.227 16.464 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.565 1.823 15.074 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.319 0.979 14.509 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.859 0.402 16.104 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.904 -0.691 14.701 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.960 1.419 12.719 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -4.608 -0.234 12.841 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.697 1.163 13.007 1.00 0.00 H new ATOM 1238 N ASP A 81 -4.545 -3.106 16.143 1.00 0.00 N ATOM 1239 CA ASP A 81 -3.456 -4.017 16.474 1.00 0.00 C ATOM 1240 C ASP A 81 -3.465 -5.233 15.553 1.00 0.00 C ATOM 1241 O ASP A 81 -2.441 -5.888 15.366 1.00 0.00 O ATOM 1242 CB ASP A 81 -3.563 -4.465 17.933 1.00 0.00 C ATOM 1243 CG ASP A 81 -2.590 -3.733 18.836 1.00 0.00 C ATOM 1244 OD1 ASP A 81 -1.394 -3.657 18.483 1.00 0.00 O ATOM 1245 OD2 ASP A 81 -3.024 -3.236 19.896 1.00 0.00 O ATOM 0 H ASP A 81 -5.307 -3.096 16.821 1.00 0.00 H new ATOM 0 HA ASP A 81 -2.515 -3.485 16.334 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -4.580 -4.297 18.288 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -3.376 -5.537 17.996 1.00 0.00 H new ATOM 1250 N GLU A 82 -4.629 -5.528 14.983 1.00 0.00 N ATOM 1251 CA GLU A 82 -4.771 -6.666 14.083 1.00 0.00 C ATOM 1252 C GLU A 82 -4.173 -6.356 12.714 1.00 0.00 C ATOM 1253 O GLU A 82 -3.681 -7.248 12.023 1.00 0.00 O ATOM 1254 CB GLU A 82 -6.245 -7.046 13.934 1.00 0.00 C ATOM 1255 CG GLU A 82 -6.975 -6.246 12.867 1.00 0.00 C ATOM 1256 CD GLU A 82 -8.482 -6.373 12.972 1.00 0.00 C ATOM 1257 OE1 GLU A 82 -8.954 -7.308 13.653 1.00 0.00 O ATOM 1258 OE2 GLU A 82 -9.191 -5.537 12.373 1.00 0.00 O ATOM 0 H GLU A 82 -5.487 -4.995 15.128 1.00 0.00 H new ATOM 0 HA GLU A 82 -4.228 -7.507 14.515 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -6.316 -8.107 13.693 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -6.747 -6.903 14.891 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -6.696 -5.196 12.951 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -6.653 -6.583 11.882 1.00 0.00 H new ATOM 1265 N TRP A 83 -4.220 -5.086 12.329 1.00 0.00 N ATOM 1266 CA TRP A 83 -3.684 -4.657 11.042 1.00 0.00 C ATOM 1267 C TRP A 83 -2.249 -5.139 10.862 1.00 0.00 C ATOM 1268 O TRP A 83 -1.870 -5.602 9.786 1.00 0.00 O ATOM 1269 CB TRP A 83 -3.742 -3.133 10.925 1.00 0.00 C ATOM 1270 CG TRP A 83 -5.116 -2.612 10.627 1.00 0.00 C ATOM 1271 CD1 TRP A 83 -6.301 -3.256 10.841 1.00 0.00 C ATOM 1272 CD2 TRP A 83 -5.445 -1.339 10.061 1.00 0.00 C ATOM 1273 NE1 TRP A 83 -7.347 -2.460 10.441 1.00 0.00 N ATOM 1274 CE2 TRP A 83 -6.849 -1.278 9.960 1.00 0.00 C ATOM 1275 CE3 TRP A 83 -4.692 -0.243 9.632 1.00 0.00 C ATOM 1276 CZ2 TRP A 83 -7.511 -0.167 9.446 1.00 0.00 C ATOM 1277 CZ3 TRP A 83 -5.350 0.860 9.122 1.00 0.00 C ATOM 1278 CH2 TRP A 83 -6.748 0.892 9.033 1.00 0.00 C ATOM 0 H TRP A 83 -4.624 -4.335 12.889 1.00 0.00 H new ATOM 0 HA TRP A 83 -4.297 -5.098 10.256 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -3.387 -2.691 11.856 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -3.060 -2.810 10.138 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -6.401 -4.245 11.263 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -8.335 -2.709 10.494 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -3.614 -0.258 9.698 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -8.588 -0.141 9.375 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -4.777 1.712 8.786 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -7.233 1.769 8.631 1.00 0.00 H new ATOM 1289 N SER A 84 -1.455 -5.027 11.922 1.00 0.00 N ATOM 1290 CA SER A 84 -0.059 -5.449 11.879 1.00 0.00 C ATOM 1291 C SER A 84 0.046 -6.966 11.761 1.00 0.00 C ATOM 1292 O SER A 84 0.947 -7.488 11.103 1.00 0.00 O ATOM 1293 CB SER A 84 0.679 -4.971 13.131 1.00 0.00 C ATOM 1294 OG SER A 84 1.029 -3.602 13.025 1.00 0.00 O ATOM 0 H SER A 84 -1.754 -4.648 12.821 1.00 0.00 H new ATOM 0 HA SER A 84 0.404 -5.001 11.000 1.00 0.00 H new ATOM 0 HB2 SER A 84 0.049 -5.122 14.008 1.00 0.00 H new ATOM 0 HB3 SER A 84 1.578 -5.569 13.278 1.00 0.00 H new ATOM 0 HG SER A 84 1.498 -3.320 13.838 1.00 0.00 H new ATOM 1300 N VAL A 85 -0.881 -7.669 12.403 1.00 0.00 N ATOM 1301 CA VAL A 85 -0.894 -9.127 12.370 1.00 0.00 C ATOM 1302 C VAL A 85 -2.015 -9.646 11.477 1.00 0.00 C ATOM 1303 O VAL A 85 -2.661 -10.645 11.792 1.00 0.00 O ATOM 1304 CB VAL A 85 -1.062 -9.719 13.782 1.00 0.00 C ATOM 1305 CG1 VAL A 85 0.069 -9.263 14.691 1.00 0.00 C ATOM 1306 CG2 VAL A 85 -2.413 -9.331 14.364 1.00 0.00 C ATOM 0 H VAL A 85 -1.633 -7.253 12.952 1.00 0.00 H new ATOM 0 HA VAL A 85 0.067 -9.443 11.964 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.021 -10.806 13.709 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -0.067 -9.691 15.684 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.022 -9.595 14.280 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.063 -8.175 14.761 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -2.515 -9.757 15.362 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.485 -8.245 14.424 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -3.208 -9.712 13.723 1.00 0.00 H new ATOM 1316 N ALA A 86 -2.238 -8.962 10.360 1.00 0.00 N ATOM 1317 CA ALA A 86 -3.279 -9.355 9.418 1.00 0.00 C ATOM 1318 C ALA A 86 -2.720 -9.489 8.006 1.00 0.00 C ATOM 1319 O ALA A 86 -1.603 -9.052 7.725 1.00 0.00 O ATOM 1320 CB ALA A 86 -4.421 -8.350 9.443 1.00 0.00 C ATOM 0 H ALA A 86 -1.712 -8.133 10.085 1.00 0.00 H new ATOM 0 HA ALA A 86 -3.661 -10.329 9.723 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -5.191 -8.656 8.735 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -4.846 -8.308 10.446 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -4.045 -7.365 9.167 1.00 0.00 H new ATOM 1326 N THR A 87 -3.503 -10.096 7.119 1.00 0.00 N ATOM 1327 CA THR A 87 -3.085 -10.288 5.736 1.00 0.00 C ATOM 1328 C THR A 87 -3.636 -9.188 4.837 1.00 0.00 C ATOM 1329 O THR A 87 -4.812 -8.834 4.922 1.00 0.00 O ATOM 1330 CB THR A 87 -3.545 -11.656 5.196 1.00 0.00 C ATOM 1331 OG1 THR A 87 -2.931 -11.913 3.928 1.00 0.00 O ATOM 1332 CG2 THR A 87 -5.059 -11.698 5.049 1.00 0.00 C ATOM 0 H THR A 87 -4.430 -10.463 7.334 1.00 0.00 H new ATOM 0 HA THR A 87 -1.996 -10.249 5.726 1.00 0.00 H new ATOM 0 HB THR A 87 -3.243 -12.424 5.908 1.00 0.00 H new ATOM 0 HG1 THR A 87 -3.612 -12.212 3.290 1.00 0.00 H new ATOM 0 HG21 THR A 87 -5.360 -12.673 4.666 1.00 0.00 H new ATOM 0 HG22 THR A 87 -5.524 -11.530 6.021 1.00 0.00 H new ATOM 0 HG23 THR A 87 -5.379 -10.921 4.355 1.00 0.00 H new ATOM 1340 N PHE A 88 -2.779 -8.650 3.975 1.00 0.00 N ATOM 1341 CA PHE A 88 -3.181 -7.589 3.059 1.00 0.00 C ATOM 1342 C PHE A 88 -3.024 -8.034 1.608 1.00 0.00 C ATOM 1343 O PHE A 88 -1.922 -8.019 1.059 1.00 0.00 O ATOM 1344 CB PHE A 88 -2.351 -6.328 3.310 1.00 0.00 C ATOM 1345 CG PHE A 88 -2.976 -5.385 4.298 1.00 0.00 C ATOM 1346 CD1 PHE A 88 -3.435 -5.847 5.521 1.00 0.00 C ATOM 1347 CD2 PHE A 88 -3.106 -4.038 4.003 1.00 0.00 C ATOM 1348 CE1 PHE A 88 -4.011 -4.981 6.433 1.00 0.00 C ATOM 1349 CE2 PHE A 88 -3.680 -3.168 4.910 1.00 0.00 C ATOM 1350 CZ PHE A 88 -4.135 -3.641 6.126 1.00 0.00 C ATOM 0 H PHE A 88 -1.802 -8.931 3.892 1.00 0.00 H new ATOM 0 HA PHE A 88 -4.232 -7.366 3.240 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -1.364 -6.618 3.671 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -2.204 -5.806 2.365 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -3.342 -6.895 5.765 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -2.755 -3.663 3.053 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -4.363 -5.353 7.384 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -3.773 -2.119 4.669 1.00 0.00 H new ATOM 0 HZ PHE A 88 -4.587 -2.963 6.835 1.00 0.00 H new ATOM 1360 N TYR A 89 -4.133 -8.430 0.994 1.00 0.00 N ATOM 1361 CA TYR A 89 -4.119 -8.882 -0.392 1.00 0.00 C ATOM 1362 C TYR A 89 -4.208 -7.700 -1.352 1.00 0.00 C ATOM 1363 O TYR A 89 -4.892 -6.712 -1.078 1.00 0.00 O ATOM 1364 CB TYR A 89 -5.277 -9.849 -0.646 1.00 0.00 C ATOM 1365 CG TYR A 89 -5.170 -11.141 0.132 1.00 0.00 C ATOM 1366 CD1 TYR A 89 -4.370 -12.183 -0.321 1.00 0.00 C ATOM 1367 CD2 TYR A 89 -5.869 -11.320 1.319 1.00 0.00 C ATOM 1368 CE1 TYR A 89 -4.269 -13.365 0.386 1.00 0.00 C ATOM 1369 CE2 TYR A 89 -5.773 -12.499 2.033 1.00 0.00 C ATOM 1370 CZ TYR A 89 -4.972 -13.518 1.563 1.00 0.00 C ATOM 1371 OH TYR A 89 -4.875 -14.694 2.270 1.00 0.00 O ATOM 0 H TYR A 89 -5.053 -8.447 1.434 1.00 0.00 H new ATOM 0 HA TYR A 89 -3.176 -9.400 -0.569 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.214 -9.356 -0.388 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -5.321 -10.079 -1.711 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -3.818 -12.066 -1.242 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -6.498 -10.524 1.690 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -3.643 -14.165 0.019 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -6.323 -12.622 2.955 1.00 0.00 H new ATOM 0 HH TYR A 89 -5.431 -14.639 3.075 1.00 0.00 H new ATOM 1381 N LEU A 90 -3.514 -7.808 -2.479 1.00 0.00 N ATOM 1382 CA LEU A 90 -3.514 -6.749 -3.483 1.00 0.00 C ATOM 1383 C LEU A 90 -3.978 -7.280 -4.835 1.00 0.00 C ATOM 1384 O LEU A 90 -3.491 -8.306 -5.312 1.00 0.00 O ATOM 1385 CB LEU A 90 -2.115 -6.143 -3.613 1.00 0.00 C ATOM 1386 CG LEU A 90 -1.542 -5.500 -2.350 1.00 0.00 C ATOM 1387 CD1 LEU A 90 -0.276 -6.219 -1.912 1.00 0.00 C ATOM 1388 CD2 LEU A 90 -1.265 -4.022 -2.583 1.00 0.00 C ATOM 0 H LEU A 90 -2.944 -8.618 -2.721 1.00 0.00 H new ATOM 0 HA LEU A 90 -4.210 -5.975 -3.159 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -1.431 -6.926 -3.940 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -2.139 -5.390 -4.401 1.00 0.00 H new ATOM 0 HG LEU A 90 -2.280 -5.590 -1.553 1.00 0.00 H new ATOM 0 HD11 LEU A 90 0.117 -5.747 -1.012 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -0.505 -7.264 -1.704 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.468 -6.162 -2.706 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -0.858 -3.580 -1.674 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -0.546 -3.910 -3.394 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.193 -3.515 -2.848 1.00 0.00 H new ATOM 1400 N PHE A 91 -4.922 -6.575 -5.449 1.00 0.00 N ATOM 1401 CA PHE A 91 -5.452 -6.974 -6.748 1.00 0.00 C ATOM 1402 C PHE A 91 -5.266 -5.863 -7.777 1.00 0.00 C ATOM 1403 O PHE A 91 -4.918 -4.734 -7.430 1.00 0.00 O ATOM 1404 CB PHE A 91 -6.935 -7.332 -6.629 1.00 0.00 C ATOM 1405 CG PHE A 91 -7.184 -8.801 -6.443 1.00 0.00 C ATOM 1406 CD1 PHE A 91 -6.766 -9.715 -7.397 1.00 0.00 C ATOM 1407 CD2 PHE A 91 -7.836 -9.269 -5.314 1.00 0.00 C ATOM 1408 CE1 PHE A 91 -6.995 -11.067 -7.229 1.00 0.00 C ATOM 1409 CE2 PHE A 91 -8.067 -10.621 -5.139 1.00 0.00 C ATOM 1410 CZ PHE A 91 -7.645 -11.521 -6.098 1.00 0.00 C ATOM 0 H PHE A 91 -5.336 -5.724 -5.068 1.00 0.00 H new ATOM 0 HA PHE A 91 -4.899 -7.851 -7.084 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -7.365 -6.789 -5.787 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -7.455 -6.994 -7.525 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -6.255 -9.366 -8.282 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -8.168 -8.569 -4.561 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -6.666 -11.768 -7.981 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -8.576 -10.973 -4.254 1.00 0.00 H new ATOM 0 HZ PHE A 91 -7.823 -12.578 -5.964 1.00 0.00 H new ATOM 1420 N ASP A 92 -5.499 -6.191 -9.042 1.00 0.00 N ATOM 1421 CA ASP A 92 -5.359 -5.222 -10.122 1.00 0.00 C ATOM 1422 C ASP A 92 -6.723 -4.719 -10.583 1.00 0.00 C ATOM 1423 O ASP A 92 -7.734 -4.935 -9.914 1.00 0.00 O ATOM 1424 CB ASP A 92 -4.607 -5.844 -11.300 1.00 0.00 C ATOM 1425 CG ASP A 92 -3.336 -5.090 -11.639 1.00 0.00 C ATOM 1426 OD1 ASP A 92 -2.450 -4.996 -10.764 1.00 0.00 O ATOM 1427 OD2 ASP A 92 -3.227 -4.594 -12.780 1.00 0.00 O ATOM 0 H ASP A 92 -5.786 -7.122 -9.345 1.00 0.00 H new ATOM 0 HA ASP A 92 -4.789 -4.374 -9.743 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -4.360 -6.879 -11.064 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -5.258 -5.863 -12.174 1.00 0.00 H new ATOM 1432 N ASP A 93 -6.744 -4.046 -11.728 1.00 0.00 N ATOM 1433 CA ASP A 93 -7.985 -3.512 -12.278 1.00 0.00 C ATOM 1434 C ASP A 93 -8.779 -4.603 -12.989 1.00 0.00 C ATOM 1435 O ASP A 93 -9.873 -4.359 -13.495 1.00 0.00 O ATOM 1436 CB ASP A 93 -7.687 -2.367 -13.248 1.00 0.00 C ATOM 1437 CG ASP A 93 -8.943 -1.651 -13.702 1.00 0.00 C ATOM 1438 OD1 ASP A 93 -9.847 -1.449 -12.864 1.00 0.00 O ATOM 1439 OD2 ASP A 93 -9.023 -1.291 -14.895 1.00 0.00 O ATOM 0 H ASP A 93 -5.916 -3.857 -12.293 1.00 0.00 H new ATOM 0 HA ASP A 93 -8.585 -3.131 -11.451 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -7.019 -1.652 -12.768 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -7.161 -2.760 -14.118 1.00 0.00 H new ATOM 1444 N ALA A 94 -8.219 -5.808 -13.023 1.00 0.00 N ATOM 1445 CA ALA A 94 -8.875 -6.937 -13.670 1.00 0.00 C ATOM 1446 C ALA A 94 -9.214 -8.028 -12.660 1.00 0.00 C ATOM 1447 O ALA A 94 -10.151 -8.801 -12.857 1.00 0.00 O ATOM 1448 CB ALA A 94 -7.993 -7.496 -14.777 1.00 0.00 C ATOM 0 H ALA A 94 -7.312 -6.027 -12.610 1.00 0.00 H new ATOM 0 HA ALA A 94 -9.808 -6.581 -14.108 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -8.495 -8.339 -15.252 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -7.805 -6.720 -15.519 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -7.046 -7.830 -14.354 1.00 0.00 H new ATOM 1454 N GLY A 95 -8.445 -8.086 -11.577 1.00 0.00 N ATOM 1455 CA GLY A 95 -8.680 -9.086 -10.552 1.00 0.00 C ATOM 1456 C GLY A 95 -7.521 -10.052 -10.408 1.00 0.00 C ATOM 1457 O GLY A 95 -7.712 -11.207 -10.028 1.00 0.00 O ATOM 0 H GLY A 95 -7.663 -7.458 -11.391 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -8.856 -8.589 -9.598 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -9.585 -9.643 -10.793 1.00 0.00 H new ATOM 1461 N GLU A 96 -6.317 -9.579 -10.714 1.00 0.00 N ATOM 1462 CA GLU A 96 -5.123 -10.411 -10.619 1.00 0.00 C ATOM 1463 C GLU A 96 -4.078 -9.762 -9.716 1.00 0.00 C ATOM 1464 O GLU A 96 -4.083 -8.548 -9.519 1.00 0.00 O ATOM 1465 CB GLU A 96 -4.532 -10.655 -12.009 1.00 0.00 C ATOM 1466 CG GLU A 96 -4.197 -9.377 -12.760 1.00 0.00 C ATOM 1467 CD GLU A 96 -5.413 -8.748 -13.412 1.00 0.00 C ATOM 1468 OE1 GLU A 96 -5.749 -9.143 -14.548 1.00 0.00 O ATOM 1469 OE2 GLU A 96 -6.028 -7.860 -12.786 1.00 0.00 O ATOM 0 H GLU A 96 -6.143 -8.625 -11.030 1.00 0.00 H new ATOM 0 HA GLU A 96 -5.412 -11.367 -10.182 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -3.628 -11.256 -11.910 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -5.240 -11.238 -12.598 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -3.748 -8.662 -12.071 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -3.451 -9.594 -13.524 1.00 0.00 H new ATOM 1476 N GLU A 97 -3.185 -10.582 -9.171 1.00 0.00 N ATOM 1477 CA GLU A 97 -2.135 -10.087 -8.288 1.00 0.00 C ATOM 1478 C GLU A 97 -0.990 -9.478 -9.092 1.00 0.00 C ATOM 1479 O GLU A 97 0.030 -10.125 -9.327 1.00 0.00 O ATOM 1480 CB GLU A 97 -1.607 -11.219 -7.404 1.00 0.00 C ATOM 1481 CG GLU A 97 -1.978 -11.070 -5.938 1.00 0.00 C ATOM 1482 CD GLU A 97 -2.271 -12.400 -5.272 1.00 0.00 C ATOM 1483 OE1 GLU A 97 -1.447 -13.328 -5.413 1.00 0.00 O ATOM 1484 OE2 GLU A 97 -3.324 -12.514 -4.610 1.00 0.00 O ATOM 0 H GLU A 97 -3.167 -11.590 -9.325 1.00 0.00 H new ATOM 0 HA GLU A 97 -2.564 -9.310 -7.655 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -1.995 -12.168 -7.774 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -0.521 -11.262 -7.493 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -1.163 -10.575 -5.409 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -2.852 -10.425 -5.852 1.00 0.00 H new ATOM 1491 N ASN A 98 -1.167 -8.230 -9.511 1.00 0.00 N ATOM 1492 CA ASN A 98 -0.150 -7.533 -10.290 1.00 0.00 C ATOM 1493 C ASN A 98 0.330 -6.281 -9.561 1.00 0.00 C ATOM 1494 O ASN A 98 -0.260 -5.866 -8.563 1.00 0.00 O ATOM 1495 CB ASN A 98 -0.701 -7.156 -11.666 1.00 0.00 C ATOM 1496 CG ASN A 98 -0.411 -8.213 -12.714 1.00 0.00 C ATOM 1497 OD1 ASN A 98 -1.400 -8.504 -13.551 1.00 0.00 O flip ATOM 1498 ND2 ASN A 98 0.690 -8.761 -12.770 1.00 0.00 N flip ATOM 0 H ASN A 98 -2.005 -7.680 -9.324 1.00 0.00 H new ATOM 0 HA ASN A 98 0.698 -8.205 -10.418 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -1.778 -7.005 -11.594 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -0.267 -6.207 -11.981 1.00 0.00 H new ATOM 0 HD21 ASN A 98 1.421 -8.506 -12.106 1.00 0.00 H new ATOM 0 HD22 ASN A 98 0.871 -9.470 -13.480 1.00 0.00 H new ATOM 1505 N PHE A 99 1.403 -5.683 -10.068 1.00 0.00 N ATOM 1506 CA PHE A 99 1.962 -4.478 -9.466 1.00 0.00 C ATOM 1507 C PHE A 99 1.954 -3.320 -10.460 1.00 0.00 C ATOM 1508 O PHE A 99 2.960 -2.634 -10.639 1.00 0.00 O ATOM 1509 CB PHE A 99 3.390 -4.740 -8.984 1.00 0.00 C ATOM 1510 CG PHE A 99 4.193 -5.595 -9.922 1.00 0.00 C ATOM 1511 CD1 PHE A 99 4.797 -5.042 -11.040 1.00 0.00 C ATOM 1512 CD2 PHE A 99 4.345 -6.952 -9.686 1.00 0.00 C ATOM 1513 CE1 PHE A 99 5.535 -5.826 -11.905 1.00 0.00 C ATOM 1514 CE2 PHE A 99 5.083 -7.742 -10.548 1.00 0.00 C ATOM 1515 CZ PHE A 99 5.680 -7.178 -11.658 1.00 0.00 C ATOM 0 H PHE A 99 1.903 -6.013 -10.894 1.00 0.00 H new ATOM 0 HA PHE A 99 1.341 -4.206 -8.612 1.00 0.00 H new ATOM 0 HB2 PHE A 99 3.900 -3.786 -8.848 1.00 0.00 H new ATOM 0 HB3 PHE A 99 3.352 -5.223 -8.007 1.00 0.00 H new ATOM 0 HD1 PHE A 99 4.689 -3.986 -11.237 1.00 0.00 H new ATOM 0 HD2 PHE A 99 3.881 -7.398 -8.818 1.00 0.00 H new ATOM 0 HE1 PHE A 99 5.999 -5.383 -12.774 1.00 0.00 H new ATOM 0 HE2 PHE A 99 5.192 -8.799 -10.353 1.00 0.00 H new ATOM 0 HZ PHE A 99 6.259 -7.792 -12.332 1.00 0.00 H new ATOM 1525 N SER A 100 0.810 -3.108 -11.103 1.00 0.00 N ATOM 1526 CA SER A 100 0.670 -2.036 -12.081 1.00 0.00 C ATOM 1527 C SER A 100 0.459 -0.693 -11.389 1.00 0.00 C ATOM 1528 O SER A 100 0.610 -0.579 -10.173 1.00 0.00 O ATOM 1529 CB SER A 100 -0.500 -2.327 -13.024 1.00 0.00 C ATOM 1530 OG SER A 100 -0.804 -3.710 -13.048 1.00 0.00 O ATOM 0 H SER A 100 -0.033 -3.665 -10.964 1.00 0.00 H new ATOM 0 HA SER A 100 1.591 -1.985 -12.662 1.00 0.00 H new ATOM 0 HB2 SER A 100 -1.377 -1.764 -12.705 1.00 0.00 H new ATOM 0 HB3 SER A 100 -0.253 -1.988 -14.030 1.00 0.00 H new ATOM 0 HG SER A 100 -1.761 -3.832 -13.218 1.00 0.00 H new ATOM 1536 N SER A 101 0.109 0.321 -12.174 1.00 0.00 N ATOM 1537 CA SER A 101 -0.120 1.658 -11.638 1.00 0.00 C ATOM 1538 C SER A 101 -1.098 1.615 -10.468 1.00 0.00 C ATOM 1539 O SER A 101 -0.774 2.037 -9.358 1.00 0.00 O ATOM 1540 CB SER A 101 -0.656 2.584 -12.732 1.00 0.00 C ATOM 1541 OG SER A 101 0.396 3.075 -13.544 1.00 0.00 O ATOM 0 H SER A 101 -0.022 0.242 -13.182 1.00 0.00 H new ATOM 0 HA SER A 101 0.833 2.046 -11.278 1.00 0.00 H new ATOM 0 HB2 SER A 101 -1.375 2.045 -13.349 1.00 0.00 H new ATOM 0 HB3 SER A 101 -1.189 3.419 -12.277 1.00 0.00 H new ATOM 0 HG SER A 101 0.028 3.663 -14.236 1.00 0.00 H new ATOM 1547 N ARG A 102 -2.297 1.102 -10.726 1.00 0.00 N ATOM 1548 CA ARG A 102 -3.324 1.004 -9.696 1.00 0.00 C ATOM 1549 C ARG A 102 -3.283 -0.361 -9.016 1.00 0.00 C ATOM 1550 O ARG A 102 -3.081 -1.385 -9.668 1.00 0.00 O ATOM 1551 CB ARG A 102 -4.708 1.243 -10.302 1.00 0.00 C ATOM 1552 CG ARG A 102 -5.852 0.937 -9.348 1.00 0.00 C ATOM 1553 CD ARG A 102 -7.054 1.828 -9.616 1.00 0.00 C ATOM 1554 NE ARG A 102 -6.730 3.244 -9.468 1.00 0.00 N ATOM 1555 CZ ARG A 102 -7.527 4.227 -9.872 1.00 0.00 C ATOM 1556 NH1 ARG A 102 -8.689 3.948 -10.446 1.00 0.00 N ATOM 1557 NH2 ARG A 102 -7.163 5.491 -9.702 1.00 0.00 N ATOM 0 H ARG A 102 -2.581 0.748 -11.640 1.00 0.00 H new ATOM 0 HA ARG A 102 -3.126 1.770 -8.946 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -4.781 2.283 -10.622 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -4.816 0.627 -11.195 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -6.143 -0.109 -9.450 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -5.517 1.076 -8.320 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -7.423 1.644 -10.625 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -7.859 1.567 -8.929 1.00 0.00 H new ATOM 0 HE ARG A 102 -5.843 3.492 -9.030 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -8.972 2.977 -10.578 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -9.300 4.704 -10.755 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -6.270 5.710 -9.260 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -7.776 6.245 -10.013 1.00 0.00 H new ATOM 1571 N MET A 103 -3.477 -0.367 -7.701 1.00 0.00 N ATOM 1572 CA MET A 103 -3.463 -1.606 -6.933 1.00 0.00 C ATOM 1573 C MET A 103 -4.465 -1.546 -5.784 1.00 0.00 C ATOM 1574 O MET A 103 -4.280 -0.797 -4.825 1.00 0.00 O ATOM 1575 CB MET A 103 -2.060 -1.877 -6.386 1.00 0.00 C ATOM 1576 CG MET A 103 -1.820 -3.333 -6.022 1.00 0.00 C ATOM 1577 SD MET A 103 -0.099 -3.829 -6.238 1.00 0.00 S ATOM 1578 CE MET A 103 0.734 -2.608 -5.228 1.00 0.00 C ATOM 0 H MET A 103 -3.646 0.472 -7.146 1.00 0.00 H new ATOM 0 HA MET A 103 -3.749 -2.419 -7.600 1.00 0.00 H new ATOM 0 HB2 MET A 103 -1.324 -1.571 -7.129 1.00 0.00 H new ATOM 0 HB3 MET A 103 -1.898 -1.259 -5.503 1.00 0.00 H new ATOM 0 HG2 MET A 103 -2.114 -3.497 -4.985 1.00 0.00 H new ATOM 0 HG3 MET A 103 -2.457 -3.967 -6.638 1.00 0.00 H new ATOM 0 HE1 MET A 103 1.618 -2.245 -5.751 1.00 0.00 H new ATOM 0 HE2 MET A 103 0.059 -1.774 -5.034 1.00 0.00 H new ATOM 0 HE3 MET A 103 1.032 -3.060 -4.282 1.00 0.00 H new ATOM 1588 N TYR A 104 -5.527 -2.337 -5.889 1.00 0.00 N ATOM 1589 CA TYR A 104 -6.560 -2.371 -4.861 1.00 0.00 C ATOM 1590 C TYR A 104 -6.117 -3.218 -3.672 1.00 0.00 C ATOM 1591 O TYR A 104 -5.521 -4.282 -3.842 1.00 0.00 O ATOM 1592 CB TYR A 104 -7.865 -2.923 -5.437 1.00 0.00 C ATOM 1593 CG TYR A 104 -8.464 -2.054 -6.520 1.00 0.00 C ATOM 1594 CD1 TYR A 104 -8.693 -0.701 -6.306 1.00 0.00 C ATOM 1595 CD2 TYR A 104 -8.799 -2.587 -7.759 1.00 0.00 C ATOM 1596 CE1 TYR A 104 -9.240 0.097 -7.292 1.00 0.00 C ATOM 1597 CE2 TYR A 104 -9.346 -1.797 -8.752 1.00 0.00 C ATOM 1598 CZ TYR A 104 -9.565 -0.456 -8.513 1.00 0.00 C ATOM 1599 OH TYR A 104 -10.109 0.335 -9.499 1.00 0.00 O ATOM 0 H TYR A 104 -5.695 -2.964 -6.676 1.00 0.00 H new ATOM 0 HA TYR A 104 -6.727 -1.351 -4.515 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -7.682 -3.918 -5.841 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -8.590 -3.035 -4.631 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -8.439 -0.265 -5.351 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -8.629 -3.636 -7.949 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -9.412 1.147 -7.108 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -9.601 -2.227 -9.710 1.00 0.00 H new ATOM 0 HH TYR A 104 -10.279 -0.208 -10.297 1.00 0.00 H new ATOM 1609 N CYS A 105 -6.415 -2.739 -2.469 1.00 0.00 N ATOM 1610 CA CYS A 105 -6.048 -3.451 -1.250 1.00 0.00 C ATOM 1611 C CYS A 105 -7.262 -4.144 -0.640 1.00 0.00 C ATOM 1612 O CYS A 105 -8.119 -3.499 -0.037 1.00 0.00 O ATOM 1613 CB CYS A 105 -5.433 -2.486 -0.236 1.00 0.00 C ATOM 1614 SG CYS A 105 -6.430 -1.011 0.078 1.00 0.00 S ATOM 0 H CYS A 105 -6.910 -1.861 -2.312 1.00 0.00 H new ATOM 0 HA CYS A 105 -5.311 -4.211 -1.510 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -5.279 -3.014 0.705 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -4.450 -2.178 -0.593 1.00 0.00 H new ATOM 0 HG CYS A 105 -7.681 -1.348 0.186 1.00 0.00 H new ATOM 1620 N SER A 106 -7.328 -5.462 -0.801 1.00 0.00 N ATOM 1621 CA SER A 106 -8.440 -6.242 -0.271 1.00 0.00 C ATOM 1622 C SER A 106 -7.991 -7.090 0.915 1.00 0.00 C ATOM 1623 O SER A 106 -6.873 -7.606 0.937 1.00 0.00 O ATOM 1624 CB SER A 106 -9.028 -7.139 -1.362 1.00 0.00 C ATOM 1625 OG SER A 106 -8.019 -7.592 -2.248 1.00 0.00 O ATOM 0 H SER A 106 -6.624 -6.012 -1.294 1.00 0.00 H new ATOM 0 HA SER A 106 -9.208 -5.548 0.071 1.00 0.00 H new ATOM 0 HB2 SER A 106 -9.526 -7.994 -0.905 1.00 0.00 H new ATOM 0 HB3 SER A 106 -9.786 -6.589 -1.920 1.00 0.00 H new ATOM 0 HG SER A 106 -8.183 -8.531 -2.478 1.00 0.00 H new ATOM 1631 N PHE A 107 -8.872 -7.231 1.901 1.00 0.00 N ATOM 1632 CA PHE A 107 -8.567 -8.016 3.091 1.00 0.00 C ATOM 1633 C PHE A 107 -8.814 -9.501 2.841 1.00 0.00 C ATOM 1634 O PHE A 107 -8.077 -10.356 3.334 1.00 0.00 O ATOM 1635 CB PHE A 107 -9.413 -7.539 4.273 1.00 0.00 C ATOM 1636 CG PHE A 107 -8.730 -7.695 5.601 1.00 0.00 C ATOM 1637 CD1 PHE A 107 -8.770 -8.902 6.279 1.00 0.00 C ATOM 1638 CD2 PHE A 107 -8.047 -6.633 6.173 1.00 0.00 C ATOM 1639 CE1 PHE A 107 -8.142 -9.049 7.501 1.00 0.00 C ATOM 1640 CE2 PHE A 107 -7.416 -6.774 7.394 1.00 0.00 C ATOM 1641 CZ PHE A 107 -7.465 -7.983 8.060 1.00 0.00 C ATOM 0 H PHE A 107 -9.802 -6.812 1.899 1.00 0.00 H new ATOM 0 HA PHE A 107 -7.512 -7.876 3.328 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -9.669 -6.490 4.126 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -10.350 -8.096 4.287 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -9.299 -9.739 5.847 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -8.008 -5.684 5.658 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -8.181 -9.996 8.018 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -6.885 -5.939 7.827 1.00 0.00 H new ATOM 0 HZ PHE A 107 -6.975 -8.094 9.016 1.00 0.00 H new ATOM 1651 N TYR A 108 -9.856 -9.800 2.073 1.00 0.00 N ATOM 1652 CA TYR A 108 -10.203 -11.182 1.760 1.00 0.00 C ATOM 1653 C TYR A 108 -9.190 -11.792 0.796 1.00 0.00 C ATOM 1654 O TYR A 108 -8.527 -11.096 0.028 1.00 0.00 O ATOM 1655 CB TYR A 108 -11.606 -11.252 1.156 1.00 0.00 C ATOM 1656 CG TYR A 108 -11.711 -10.608 -0.208 1.00 0.00 C ATOM 1657 CD1 TYR A 108 -11.826 -9.230 -0.340 1.00 0.00 C ATOM 1658 CD2 TYR A 108 -11.696 -11.377 -1.365 1.00 0.00 C ATOM 1659 CE1 TYR A 108 -11.923 -8.636 -1.584 1.00 0.00 C ATOM 1660 CE2 TYR A 108 -11.791 -10.793 -2.613 1.00 0.00 C ATOM 1661 CZ TYR A 108 -11.904 -9.422 -2.717 1.00 0.00 C ATOM 1662 OH TYR A 108 -12.001 -8.836 -3.959 1.00 0.00 O ATOM 0 H TYR A 108 -10.475 -9.105 1.656 1.00 0.00 H new ATOM 0 HA TYR A 108 -10.185 -11.755 2.687 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -11.908 -12.297 1.079 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -12.309 -10.766 1.833 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -11.840 -8.612 0.545 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -11.608 -12.451 -1.287 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -12.013 -7.563 -1.668 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -11.777 -11.406 -3.502 1.00 0.00 H new ATOM 0 HH TYR A 108 -11.971 -9.529 -4.651 1.00 0.00 H new ATOM 1672 N PRO A 109 -9.068 -13.128 0.836 1.00 0.00 N ATOM 1673 CA PRO A 109 -8.140 -13.864 -0.027 1.00 0.00 C ATOM 1674 C PRO A 109 -8.573 -13.849 -1.489 1.00 0.00 C ATOM 1675 O PRO A 109 -9.696 -13.473 -1.825 1.00 0.00 O ATOM 1676 CB PRO A 109 -8.190 -15.288 0.531 1.00 0.00 C ATOM 1677 CG PRO A 109 -9.524 -15.391 1.187 1.00 0.00 C ATOM 1678 CD PRO A 109 -9.827 -14.021 1.727 1.00 0.00 C ATOM 0 HA PRO A 109 -7.143 -13.425 -0.021 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -8.080 -16.028 -0.262 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -7.384 -15.463 1.244 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -10.286 -15.707 0.474 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -9.509 -16.131 1.987 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -10.895 -13.805 1.698 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -9.509 -13.919 2.765 1.00 0.00 H new ATOM 1686 N PRO A 110 -7.663 -14.269 -2.381 1.00 0.00 N ATOM 1687 CA PRO A 110 -7.929 -14.315 -3.822 1.00 0.00 C ATOM 1688 C PRO A 110 -8.936 -15.399 -4.191 1.00 0.00 C ATOM 1689 O PRO A 110 -9.890 -15.148 -4.927 1.00 0.00 O ATOM 1690 CB PRO A 110 -6.558 -14.629 -4.426 1.00 0.00 C ATOM 1691 CG PRO A 110 -5.819 -15.333 -3.341 1.00 0.00 C ATOM 1692 CD PRO A 110 -6.305 -14.732 -2.051 1.00 0.00 C ATOM 0 HA PRO A 110 -8.367 -13.386 -4.186 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -6.650 -15.255 -5.313 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -6.042 -13.719 -4.731 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -6.013 -16.405 -3.369 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -4.743 -15.200 -3.452 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -6.315 -15.465 -1.245 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -5.668 -13.910 -1.726 1.00 0.00 H new ATOM 1700 N ASP A 111 -8.716 -16.604 -3.676 1.00 0.00 N ATOM 1701 CA ASP A 111 -9.605 -17.726 -3.951 1.00 0.00 C ATOM 1702 C ASP A 111 -9.128 -18.986 -3.235 1.00 0.00 C ATOM 1703 O ASP A 111 -9.934 -19.806 -2.799 1.00 0.00 O ATOM 1704 CB ASP A 111 -9.688 -17.982 -5.457 1.00 0.00 C ATOM 1705 CG ASP A 111 -11.077 -17.731 -6.011 1.00 0.00 C ATOM 1706 OD1 ASP A 111 -11.793 -16.874 -5.451 1.00 0.00 O ATOM 1707 OD2 ASP A 111 -11.449 -18.392 -7.003 1.00 0.00 O ATOM 0 H ASP A 111 -7.930 -16.828 -3.066 1.00 0.00 H new ATOM 0 HA ASP A 111 -10.597 -17.471 -3.578 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -8.973 -17.340 -5.972 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -9.398 -19.012 -5.664 1.00 0.00 H new ATOM 1712 N GLU A 112 -7.811 -19.131 -3.119 1.00 0.00 N ATOM 1713 CA GLU A 112 -7.228 -20.292 -2.457 1.00 0.00 C ATOM 1714 C GLU A 112 -7.835 -20.491 -1.071 1.00 0.00 C ATOM 1715 O GLU A 112 -8.636 -21.400 -0.858 1.00 0.00 O ATOM 1716 CB GLU A 112 -5.710 -20.132 -2.343 1.00 0.00 C ATOM 1717 CG GLU A 112 -4.944 -21.425 -2.565 1.00 0.00 C ATOM 1718 CD GLU A 112 -5.135 -22.419 -1.436 1.00 0.00 C ATOM 1719 OE1 GLU A 112 -6.142 -23.157 -1.460 1.00 0.00 O ATOM 1720 OE2 GLU A 112 -4.279 -22.458 -0.528 1.00 0.00 O ATOM 0 H GLU A 112 -7.129 -18.460 -3.474 1.00 0.00 H new ATOM 0 HA GLU A 112 -7.450 -21.172 -3.061 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -5.375 -19.392 -3.070 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -5.467 -19.741 -1.355 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -5.268 -21.878 -3.502 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -3.883 -21.200 -2.670 1.00 0.00 H new