USER MOD reduce.3.24.130724 H: found=0, std=0, add=536, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 538 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 Single : A 7 THR OG1 : rot -4:sc= 0.795 USER MOD Single : A 9 CYS SG : rot 35:sc= 0.183 USER MOD Single : A 13 GLN : amide:sc= -0.0188 K(o=-0.019,f=-0.9) USER MOD Single : A 14 ASN : amide:sc= -7.37! C(o=-7.4!,f=-15!) USER MOD Single : A 32 ASN : amide:sc= -0.221 K(o=-0.22,f=-2.2!) USER MOD Single : A 33 SER OG : rot 180:sc= 0.0622 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN :FLIP amide:sc= -14.3! C(o=-17!,f=-14!) USER MOD Single : A 44 GLN : amide:sc= -0.239 X(o=-0.24,f=-0.39) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -0.227 K(o=-0.23,f=-1.7!) USER MOD Single : A 56 THR OG1 : rot 48:sc= 0.0435 USER MOD Single : A 90 ASN : amide:sc= -0.0345 X(o=-0.034,f=-0.13) USER MOD Single : A 91 THR OG1 : rot 63:sc= 0.14 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0.224 USER MOD Single : A 96 GLN : amide:sc= -0.343 X(o=-0.34,f=-0.08) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 THR OG1 : rot -83:sc= 0.788 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN : amide:sc= -0.272 K(o=-0.27,f=-2!) USER MOD Single : A 111 SER OG : rot 57:sc= 1.14 USER MOD Single : A 113 THR OG1 : rot 180:sc= 0.0425 USER MOD Single : A 114 LYS NZ :NH3+ -157:sc= -0.902 (180deg=-1.95!) USER MOD ----------------------------------------------------------------- ATOM 90 N THR A 7 17.002 1.836 13.132 1.00 0.00 N ATOM 91 CA THR A 7 16.577 2.021 11.748 1.00 0.00 C ATOM 92 C THR A 7 16.552 0.689 11.006 1.00 0.00 C ATOM 93 O THR A 7 17.434 -0.150 11.191 1.00 0.00 O ATOM 94 CB THR A 7 17.506 3.003 11.035 1.00 0.00 C ATOM 95 OG1 THR A 7 18.606 3.349 11.860 1.00 0.00 O ATOM 96 CG2 THR A 7 16.810 4.280 10.636 1.00 0.00 C ATOM 0 HA THR A 7 15.567 2.430 11.754 1.00 0.00 H new ATOM 0 HB THR A 7 17.843 2.488 10.135 1.00 0.00 H new ATOM 0 HG1 THR A 7 18.501 2.928 12.739 1.00 0.00 H new ATOM 0 HG21 THR A 7 17.518 4.939 10.134 1.00 0.00 H new ATOM 0 HG22 THR A 7 15.987 4.050 9.960 1.00 0.00 H new ATOM 0 HG23 THR A 7 16.421 4.776 11.525 1.00 0.00 H new ATOM 104 N PHE A 8 15.536 0.494 10.169 1.00 0.00 N ATOM 105 CA PHE A 8 15.411 -0.748 9.414 1.00 0.00 C ATOM 106 C PHE A 8 14.822 -0.533 8.024 1.00 0.00 C ATOM 107 O PHE A 8 13.921 0.281 7.828 1.00 0.00 O ATOM 108 CB PHE A 8 14.546 -1.756 10.173 1.00 0.00 C ATOM 109 CG PHE A 8 13.332 -1.168 10.845 1.00 0.00 C ATOM 110 CD1 PHE A 8 12.753 0.015 10.396 1.00 0.00 C ATOM 111 CD2 PHE A 8 12.766 -1.810 11.933 1.00 0.00 C ATOM 112 CE1 PHE A 8 11.639 0.537 11.025 1.00 0.00 C ATOM 113 CE2 PHE A 8 11.653 -1.292 12.564 1.00 0.00 C ATOM 114 CZ PHE A 8 11.088 -0.118 12.110 1.00 0.00 C ATOM 0 H PHE A 8 14.795 1.173 9.998 1.00 0.00 H new ATOM 0 HA PHE A 8 16.422 -1.137 9.295 1.00 0.00 H new ATOM 0 HB2 PHE A 8 14.220 -2.530 9.478 1.00 0.00 H new ATOM 0 HB3 PHE A 8 15.161 -2.245 10.929 1.00 0.00 H new ATOM 0 HD1 PHE A 8 13.179 0.530 9.548 1.00 0.00 H new ATOM 0 HD2 PHE A 8 13.202 -2.730 12.294 1.00 0.00 H new ATOM 0 HE1 PHE A 8 11.199 1.457 10.669 1.00 0.00 H new ATOM 0 HE2 PHE A 8 11.225 -1.805 13.412 1.00 0.00 H new ATOM 0 HZ PHE A 8 10.217 0.288 12.602 1.00 0.00 H new ATOM 124 N CYS A 9 15.314 -1.304 7.066 1.00 0.00 N ATOM 125 CA CYS A 9 14.814 -1.236 5.702 1.00 0.00 C ATOM 126 C CYS A 9 13.757 -2.321 5.513 1.00 0.00 C ATOM 127 O CYS A 9 14.033 -3.502 5.716 1.00 0.00 O ATOM 128 CB CYS A 9 15.955 -1.431 4.701 1.00 0.00 C ATOM 129 SG CYS A 9 16.870 -2.975 4.916 1.00 0.00 S ATOM 0 H CYS A 9 16.060 -1.985 7.209 1.00 0.00 H new ATOM 0 HA CYS A 9 14.374 -0.255 5.525 1.00 0.00 H new ATOM 0 HB2 CYS A 9 15.547 -1.401 3.691 1.00 0.00 H new ATOM 0 HB3 CYS A 9 16.649 -0.595 4.790 1.00 0.00 H new ATOM 0 HG CYS A 9 16.055 -3.913 5.297 1.00 0.00 H new ATOM 135 N VAL A 10 12.544 -1.923 5.149 1.00 0.00 N ATOM 136 CA VAL A 10 11.459 -2.884 4.967 1.00 0.00 C ATOM 137 C VAL A 10 11.092 -3.030 3.500 1.00 0.00 C ATOM 138 O VAL A 10 11.242 -2.101 2.717 1.00 0.00 O ATOM 139 CB VAL A 10 10.203 -2.478 5.776 1.00 0.00 C ATOM 140 CG1 VAL A 10 9.091 -1.943 4.879 1.00 0.00 C ATOM 141 CG2 VAL A 10 9.704 -3.651 6.596 1.00 0.00 C ATOM 0 H VAL A 10 12.287 -0.951 4.975 1.00 0.00 H new ATOM 0 HA VAL A 10 11.820 -3.843 5.338 1.00 0.00 H new ATOM 0 HB VAL A 10 10.494 -1.670 6.447 1.00 0.00 H new ATOM 0 HG11 VAL A 10 8.230 -1.671 5.490 1.00 0.00 H new ATOM 0 HG12 VAL A 10 9.448 -1.064 4.342 1.00 0.00 H new ATOM 0 HG13 VAL A 10 8.800 -2.712 4.163 1.00 0.00 H new ATOM 0 HG21 VAL A 10 8.821 -3.351 7.160 1.00 0.00 H new ATOM 0 HG22 VAL A 10 9.448 -4.476 5.932 1.00 0.00 H new ATOM 0 HG23 VAL A 10 10.484 -3.970 7.287 1.00 0.00 H new ATOM 151 N VAL A 11 10.610 -4.203 3.136 1.00 0.00 N ATOM 152 CA VAL A 11 10.226 -4.463 1.763 1.00 0.00 C ATOM 153 C VAL A 11 8.870 -5.156 1.683 1.00 0.00 C ATOM 154 O VAL A 11 8.674 -6.240 2.230 1.00 0.00 O ATOM 155 CB VAL A 11 11.301 -5.302 1.059 1.00 0.00 C ATOM 156 CG1 VAL A 11 11.628 -6.536 1.877 1.00 0.00 C ATOM 157 CG2 VAL A 11 10.878 -5.671 -0.358 1.00 0.00 C ATOM 0 H VAL A 11 10.475 -4.990 3.771 1.00 0.00 H new ATOM 0 HA VAL A 11 10.137 -3.503 1.254 1.00 0.00 H new ATOM 0 HB VAL A 11 12.205 -4.698 0.978 1.00 0.00 H new ATOM 0 HG11 VAL A 11 12.392 -7.120 1.364 1.00 0.00 H new ATOM 0 HG12 VAL A 11 11.998 -6.235 2.857 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.729 -7.141 1.998 1.00 0.00 H new ATOM 0 HG21 VAL A 11 11.662 -6.265 -0.829 1.00 0.00 H new ATOM 0 HG22 VAL A 11 9.955 -6.250 -0.323 1.00 0.00 H new ATOM 0 HG23 VAL A 11 10.714 -4.762 -0.937 1.00 0.00 H new ATOM 167 N VAL A 12 7.939 -4.502 1.001 1.00 0.00 N ATOM 168 CA VAL A 12 6.586 -5.019 0.839 1.00 0.00 C ATOM 169 C VAL A 12 6.442 -5.801 -0.461 1.00 0.00 C ATOM 170 O VAL A 12 6.350 -5.216 -1.539 1.00 0.00 O ATOM 171 CB VAL A 12 5.569 -3.864 0.838 1.00 0.00 C ATOM 172 CG1 VAL A 12 5.429 -3.289 2.232 1.00 0.00 C ATOM 173 CG2 VAL A 12 5.990 -2.774 -0.137 1.00 0.00 C ATOM 0 H VAL A 12 8.099 -3.603 0.547 1.00 0.00 H new ATOM 0 HA VAL A 12 6.391 -5.688 1.677 1.00 0.00 H new ATOM 0 HB VAL A 12 4.605 -4.258 0.518 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.707 -2.473 2.218 1.00 0.00 H new ATOM 0 HG12 VAL A 12 5.084 -4.067 2.913 1.00 0.00 H new ATOM 0 HG13 VAL A 12 6.395 -2.913 2.569 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.256 -1.968 -0.121 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.965 -2.383 0.153 1.00 0.00 H new ATOM 0 HG23 VAL A 12 6.051 -3.189 -1.143 1.00 0.00 H new ATOM 183 N GLN A 13 6.403 -7.124 -0.358 1.00 0.00 N ATOM 184 CA GLN A 13 6.250 -7.958 -1.542 1.00 0.00 C ATOM 185 C GLN A 13 4.797 -8.381 -1.701 1.00 0.00 C ATOM 186 O GLN A 13 4.305 -9.245 -0.974 1.00 0.00 O ATOM 187 CB GLN A 13 7.148 -9.193 -1.449 1.00 0.00 C ATOM 188 CG GLN A 13 7.357 -9.892 -2.782 1.00 0.00 C ATOM 189 CD GLN A 13 8.506 -10.881 -2.748 1.00 0.00 C ATOM 190 OE1 GLN A 13 9.531 -10.638 -2.111 1.00 0.00 O ATOM 191 NE2 GLN A 13 8.339 -12.005 -3.435 1.00 0.00 N ATOM 0 H GLN A 13 6.474 -7.636 0.521 1.00 0.00 H new ATOM 0 HA GLN A 13 6.548 -7.377 -2.415 1.00 0.00 H new ATOM 0 HB2 GLN A 13 8.117 -8.898 -1.046 1.00 0.00 H new ATOM 0 HB3 GLN A 13 6.710 -9.898 -0.743 1.00 0.00 H new ATOM 0 HG2 GLN A 13 6.442 -10.414 -3.062 1.00 0.00 H new ATOM 0 HG3 GLN A 13 7.547 -9.146 -3.553 1.00 0.00 H new ATOM 0 HE21 GLN A 13 7.472 -12.165 -3.949 1.00 0.00 H new ATOM 0 HE22 GLN A 13 9.077 -12.709 -3.449 1.00 0.00 H new ATOM 200 N ASN A 14 4.115 -7.763 -2.657 1.00 0.00 N ATOM 201 CA ASN A 14 2.716 -8.068 -2.915 1.00 0.00 C ATOM 202 C ASN A 14 2.439 -8.141 -4.408 1.00 0.00 C ATOM 203 O ASN A 14 3.049 -7.425 -5.199 1.00 0.00 O ATOM 204 CB ASN A 14 1.816 -7.027 -2.258 1.00 0.00 C ATOM 205 CG ASN A 14 1.667 -7.275 -0.773 1.00 0.00 C ATOM 206 OD1 ASN A 14 2.405 -6.717 0.038 1.00 0.00 O ATOM 207 ND2 ASN A 14 0.717 -8.128 -0.411 1.00 0.00 N ATOM 0 H ASN A 14 4.510 -7.047 -3.267 1.00 0.00 H new ATOM 0 HA ASN A 14 2.497 -9.044 -2.483 1.00 0.00 H new ATOM 0 HB2 ASN A 14 2.231 -6.032 -2.421 1.00 0.00 H new ATOM 0 HB3 ASN A 14 0.834 -7.045 -2.730 1.00 0.00 H new ATOM 0 HD21 ASN A 14 0.575 -8.345 0.576 1.00 0.00 H new ATOM 0 HD22 ASN A 14 0.129 -8.567 -1.119 1.00 0.00 H new ATOM 482 N ASP A 31 7.095 -5.481 -5.275 1.00 0.00 N ATOM 483 CA ASP A 31 8.102 -5.513 -4.217 1.00 0.00 C ATOM 484 C ASP A 31 8.882 -4.205 -4.175 1.00 0.00 C ATOM 485 O ASP A 31 9.581 -3.858 -5.127 1.00 0.00 O ATOM 486 CB ASP A 31 9.064 -6.688 -4.414 1.00 0.00 C ATOM 487 CG ASP A 31 9.225 -7.083 -5.871 1.00 0.00 C ATOM 488 OD1 ASP A 31 9.865 -6.321 -6.626 1.00 0.00 O ATOM 489 OD2 ASP A 31 8.712 -8.154 -6.256 1.00 0.00 O ATOM 0 HA ASP A 31 7.583 -5.643 -3.267 1.00 0.00 H new ATOM 0 HB2 ASP A 31 10.039 -6.425 -4.004 1.00 0.00 H new ATOM 0 HB3 ASP A 31 8.702 -7.546 -3.848 1.00 0.00 H new ATOM 494 N ASN A 32 8.758 -3.478 -3.068 1.00 0.00 N ATOM 495 CA ASN A 32 9.455 -2.206 -2.914 1.00 0.00 C ATOM 496 C ASN A 32 10.203 -2.152 -1.588 1.00 0.00 C ATOM 497 O ASN A 32 9.638 -2.456 -0.538 1.00 0.00 O ATOM 498 CB ASN A 32 8.463 -1.044 -3.001 1.00 0.00 C ATOM 499 CG ASN A 32 9.076 0.195 -3.624 1.00 0.00 C ATOM 500 OD1 ASN A 32 10.071 0.115 -4.343 1.00 0.00 O ATOM 501 ND2 ASN A 32 8.485 1.351 -3.347 1.00 0.00 N ATOM 0 H ASN A 32 8.184 -3.747 -2.269 1.00 0.00 H new ATOM 0 HA ASN A 32 10.180 -2.118 -3.723 1.00 0.00 H new ATOM 0 HB2 ASN A 32 7.598 -1.352 -3.588 1.00 0.00 H new ATOM 0 HB3 ASN A 32 8.101 -0.803 -2.001 1.00 0.00 H new ATOM 0 HD21 ASN A 32 8.855 2.219 -3.736 1.00 0.00 H new ATOM 0 HD22 ASN A 32 7.661 1.371 -2.746 1.00 0.00 H new ATOM 508 N SER A 33 11.473 -1.762 -1.638 1.00 0.00 N ATOM 509 CA SER A 33 12.288 -1.670 -0.433 1.00 0.00 C ATOM 510 C SER A 33 12.133 -0.313 0.230 1.00 0.00 C ATOM 511 O SER A 33 11.966 0.709 -0.436 1.00 0.00 O ATOM 512 CB SER A 33 13.763 -1.917 -0.738 1.00 0.00 C ATOM 513 OG SER A 33 14.095 -1.492 -2.048 1.00 0.00 O ATOM 0 H SER A 33 11.958 -1.505 -2.498 1.00 0.00 H new ATOM 0 HA SER A 33 11.935 -2.444 0.249 1.00 0.00 H new ATOM 0 HB2 SER A 33 14.380 -1.386 -0.013 1.00 0.00 H new ATOM 0 HB3 SER A 33 13.986 -2.978 -0.630 1.00 0.00 H new ATOM 0 HG SER A 33 15.046 -1.661 -2.215 1.00 0.00 H new ATOM 519 N LEU A 34 12.188 -0.321 1.549 1.00 0.00 N ATOM 520 CA LEU A 34 12.054 0.892 2.337 1.00 0.00 C ATOM 521 C LEU A 34 13.382 1.232 3.016 1.00 0.00 C ATOM 522 O LEU A 34 14.091 0.349 3.494 1.00 0.00 O ATOM 523 CB LEU A 34 10.925 0.703 3.370 1.00 0.00 C ATOM 524 CG LEU A 34 10.807 1.750 4.469 1.00 0.00 C ATOM 525 CD1 LEU A 34 11.682 1.344 5.638 1.00 0.00 C ATOM 526 CD2 LEU A 34 11.155 3.145 3.971 1.00 0.00 C ATOM 0 H LEU A 34 12.326 -1.166 2.104 1.00 0.00 H new ATOM 0 HA LEU A 34 11.795 1.728 1.687 1.00 0.00 H new ATOM 0 HB2 LEU A 34 9.977 0.669 2.833 1.00 0.00 H new ATOM 0 HB3 LEU A 34 11.059 -0.270 3.843 1.00 0.00 H new ATOM 0 HG LEU A 34 9.768 1.796 4.796 1.00 0.00 H new ATOM 0 HD11 LEU A 34 11.602 2.090 6.429 1.00 0.00 H new ATOM 0 HD12 LEU A 34 11.355 0.376 6.018 1.00 0.00 H new ATOM 0 HD13 LEU A 34 12.719 1.274 5.309 1.00 0.00 H new ATOM 0 HD21 LEU A 34 11.057 3.858 4.789 1.00 0.00 H new ATOM 0 HD22 LEU A 34 12.181 3.154 3.603 1.00 0.00 H new ATOM 0 HD23 LEU A 34 10.477 3.423 3.164 1.00 0.00 H new ATOM 538 N ALA A 35 13.706 2.520 3.053 1.00 0.00 N ATOM 539 CA ALA A 35 14.930 3.000 3.668 1.00 0.00 C ATOM 540 C ALA A 35 14.851 2.848 5.173 1.00 0.00 C ATOM 541 O ALA A 35 13.770 2.747 5.737 1.00 0.00 O ATOM 542 CB ALA A 35 15.180 4.447 3.296 1.00 0.00 C ATOM 0 H ALA A 35 13.124 3.258 2.656 1.00 0.00 H new ATOM 0 HA ALA A 35 15.763 2.402 3.298 1.00 0.00 H new ATOM 0 HB1 ALA A 35 16.102 4.790 3.766 1.00 0.00 H new ATOM 0 HB2 ALA A 35 15.271 4.534 2.213 1.00 0.00 H new ATOM 0 HB3 ALA A 35 14.347 5.060 3.641 1.00 0.00 H new ATOM 548 N ALA A 36 15.995 2.802 5.820 1.00 0.00 N ATOM 549 CA ALA A 36 16.024 2.609 7.261 1.00 0.00 C ATOM 550 C ALA A 36 15.494 3.833 7.993 1.00 0.00 C ATOM 551 O ALA A 36 16.096 4.906 7.978 1.00 0.00 O ATOM 552 CB ALA A 36 17.438 2.286 7.718 1.00 0.00 C ATOM 0 H ALA A 36 16.911 2.894 5.381 1.00 0.00 H new ATOM 0 HA ALA A 36 15.373 1.769 7.504 1.00 0.00 H new ATOM 0 HB1 ALA A 36 17.448 2.144 8.799 1.00 0.00 H new ATOM 0 HB2 ALA A 36 17.779 1.374 7.229 1.00 0.00 H new ATOM 0 HB3 ALA A 36 18.102 3.109 7.455 1.00 0.00 H new ATOM 558 N VAL A 37 14.333 3.639 8.623 1.00 0.00 N ATOM 559 CA VAL A 37 13.655 4.691 9.371 1.00 0.00 C ATOM 560 C VAL A 37 13.319 4.217 10.783 1.00 0.00 C ATOM 561 O VAL A 37 13.420 3.029 11.088 1.00 0.00 O ATOM 562 CB VAL A 37 12.348 5.118 8.667 1.00 0.00 C ATOM 563 CG1 VAL A 37 11.845 6.446 9.211 1.00 0.00 C ATOM 564 CG2 VAL A 37 12.542 5.190 7.159 1.00 0.00 C ATOM 0 H VAL A 37 13.839 2.746 8.627 1.00 0.00 H new ATOM 0 HA VAL A 37 14.333 5.543 9.421 1.00 0.00 H new ATOM 0 HB VAL A 37 11.592 4.361 8.875 1.00 0.00 H new ATOM 0 HG11 VAL A 37 10.924 6.724 8.699 1.00 0.00 H new ATOM 0 HG12 VAL A 37 11.652 6.352 10.280 1.00 0.00 H new ATOM 0 HG13 VAL A 37 12.599 7.216 9.045 1.00 0.00 H new ATOM 0 HG21 VAL A 37 11.608 5.493 6.686 1.00 0.00 H new ATOM 0 HG22 VAL A 37 13.319 5.918 6.926 1.00 0.00 H new ATOM 0 HG23 VAL A 37 12.838 4.211 6.783 1.00 0.00 H new ATOM 574 N SER A 38 12.920 5.151 11.642 1.00 0.00 N ATOM 575 CA SER A 38 12.571 4.827 13.021 1.00 0.00 C ATOM 576 C SER A 38 11.497 3.742 13.084 1.00 0.00 C ATOM 577 O SER A 38 11.708 2.683 13.676 1.00 0.00 O ATOM 578 CB SER A 38 12.084 6.081 13.750 1.00 0.00 C ATOM 579 OG SER A 38 12.182 5.925 15.155 1.00 0.00 O ATOM 0 H SER A 38 12.830 6.139 11.406 1.00 0.00 H new ATOM 0 HA SER A 38 13.467 4.447 13.511 1.00 0.00 H new ATOM 0 HB2 SER A 38 12.674 6.941 13.434 1.00 0.00 H new ATOM 0 HB3 SER A 38 11.049 6.286 13.475 1.00 0.00 H new ATOM 0 HG SER A 38 11.866 6.740 15.597 1.00 0.00 H new ATOM 585 N GLU A 39 10.343 4.012 12.478 1.00 0.00 N ATOM 586 CA GLU A 39 9.239 3.050 12.479 1.00 0.00 C ATOM 587 C GLU A 39 8.133 3.430 11.490 1.00 0.00 C ATOM 588 O GLU A 39 7.295 2.597 11.146 1.00 0.00 O ATOM 589 CB GLU A 39 8.651 2.930 13.887 1.00 0.00 C ATOM 590 CG GLU A 39 7.758 1.713 14.071 1.00 0.00 C ATOM 591 CD GLU A 39 6.423 2.059 14.701 1.00 0.00 C ATOM 592 OE1 GLU A 39 5.497 2.446 13.957 1.00 0.00 O ATOM 593 OE2 GLU A 39 6.303 1.941 15.939 1.00 0.00 O ATOM 0 H GLU A 39 10.147 4.882 11.983 1.00 0.00 H new ATOM 0 HA GLU A 39 9.648 2.091 12.162 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.466 2.885 14.610 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.076 3.829 14.110 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.587 1.242 13.103 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.271 0.981 14.695 1.00 0.00 H new ATOM 600 N SER A 40 8.124 4.686 11.046 1.00 0.00 N ATOM 601 CA SER A 40 7.110 5.168 10.107 1.00 0.00 C ATOM 602 C SER A 40 6.845 4.164 8.984 1.00 0.00 C ATOM 603 O SER A 40 5.725 4.061 8.489 1.00 0.00 O ATOM 604 CB SER A 40 7.541 6.508 9.510 1.00 0.00 C ATOM 605 OG SER A 40 7.457 7.546 10.471 1.00 0.00 O ATOM 0 H SER A 40 8.809 5.390 11.322 1.00 0.00 H new ATOM 0 HA SER A 40 6.183 5.294 10.666 1.00 0.00 H new ATOM 0 HB2 SER A 40 8.564 6.433 9.140 1.00 0.00 H new ATOM 0 HB3 SER A 40 6.910 6.748 8.655 1.00 0.00 H new ATOM 0 HG SER A 40 7.740 8.392 10.065 1.00 0.00 H new ATOM 611 N GLN A 41 7.881 3.435 8.579 1.00 0.00 N ATOM 612 CA GLN A 41 7.747 2.452 7.507 1.00 0.00 C ATOM 613 C GLN A 41 6.851 1.292 7.912 1.00 0.00 C ATOM 614 O GLN A 41 6.048 0.807 7.115 1.00 0.00 O ATOM 615 CB GLN A 41 9.116 1.918 7.095 1.00 0.00 C ATOM 616 CG GLN A 41 9.890 1.223 8.211 1.00 0.00 C ATOM 617 CD GLN A 41 9.398 -0.184 8.525 1.00 0.00 C ATOM 618 OE1 GLN A 41 8.680 -0.806 7.593 1.00 0.00 O flip ATOM 619 NE2 GLN A 41 9.664 -0.711 9.606 1.00 0.00 N flip ATOM 0 H GLN A 41 8.819 3.505 8.974 1.00 0.00 H new ATOM 0 HA GLN A 41 7.284 2.961 6.661 1.00 0.00 H new ATOM 0 HB2 GLN A 41 8.985 1.217 6.271 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.715 2.746 6.717 1.00 0.00 H new ATOM 0 HG2 GLN A 41 10.943 1.175 7.933 1.00 0.00 H new ATOM 0 HG3 GLN A 41 9.826 1.829 9.115 1.00 0.00 H new ATOM 0 HE21 GLN A 41 10.217 -0.205 10.298 1.00 0.00 H new ATOM 0 HE22 GLN A 41 9.331 -1.653 9.809 1.00 0.00 H new ATOM 628 N LEU A 42 7.010 0.832 9.143 1.00 0.00 N ATOM 629 CA LEU A 42 6.231 -0.294 9.638 1.00 0.00 C ATOM 630 C LEU A 42 4.756 0.059 9.760 1.00 0.00 C ATOM 631 O LEU A 42 3.887 -0.787 9.548 1.00 0.00 O ATOM 632 CB LEU A 42 6.772 -0.760 10.992 1.00 0.00 C ATOM 633 CG LEU A 42 6.009 -1.925 11.627 1.00 0.00 C ATOM 634 CD1 LEU A 42 6.643 -3.252 11.239 1.00 0.00 C ATOM 635 CD2 LEU A 42 5.972 -1.773 13.141 1.00 0.00 C ATOM 0 H LEU A 42 7.670 1.220 9.817 1.00 0.00 H new ATOM 0 HA LEU A 42 6.325 -1.105 8.915 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.815 -1.053 10.869 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.757 0.084 11.682 1.00 0.00 H new ATOM 0 HG LEU A 42 4.985 -1.912 11.254 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.088 -4.069 11.699 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.620 -3.363 10.155 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.677 -3.276 11.584 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.426 -2.609 13.577 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.990 -1.762 13.531 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.474 -0.839 13.401 1.00 0.00 H new ATOM 647 N ALA A 43 4.475 1.305 10.109 1.00 0.00 N ATOM 648 CA ALA A 43 3.102 1.758 10.265 1.00 0.00 C ATOM 649 C ALA A 43 2.556 2.352 8.972 1.00 0.00 C ATOM 650 O ALA A 43 1.358 2.269 8.701 1.00 0.00 O ATOM 651 CB ALA A 43 3.012 2.766 11.392 1.00 0.00 C ATOM 0 H ALA A 43 5.179 2.020 10.289 1.00 0.00 H new ATOM 0 HA ALA A 43 2.489 0.891 10.512 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.980 3.099 11.501 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.344 2.303 12.321 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.648 3.622 11.166 1.00 0.00 H new ATOM 657 N GLN A 44 3.435 2.948 8.172 1.00 0.00 N ATOM 658 CA GLN A 44 3.020 3.546 6.910 1.00 0.00 C ATOM 659 C GLN A 44 2.543 2.470 5.944 1.00 0.00 C ATOM 660 O GLN A 44 1.534 2.637 5.258 1.00 0.00 O ATOM 661 CB GLN A 44 4.172 4.338 6.287 1.00 0.00 C ATOM 662 CG GLN A 44 3.824 4.973 4.950 1.00 0.00 C ATOM 663 CD GLN A 44 2.666 5.946 5.051 1.00 0.00 C ATOM 664 OE1 GLN A 44 1.512 5.542 5.195 1.00 0.00 O ATOM 665 NE2 GLN A 44 2.968 7.237 4.973 1.00 0.00 N ATOM 0 H GLN A 44 4.432 3.029 8.374 1.00 0.00 H new ATOM 0 HA GLN A 44 2.195 4.229 7.110 1.00 0.00 H new ATOM 0 HB2 GLN A 44 4.481 5.120 6.981 1.00 0.00 H new ATOM 0 HB3 GLN A 44 5.027 3.675 6.153 1.00 0.00 H new ATOM 0 HG2 GLN A 44 4.699 5.494 4.561 1.00 0.00 H new ATOM 0 HG3 GLN A 44 3.575 4.190 4.234 1.00 0.00 H new ATOM 0 HE21 GLN A 44 3.938 7.527 4.854 1.00 0.00 H new ATOM 0 HE22 GLN A 44 2.229 7.938 5.033 1.00 0.00 H new ATOM 674 N LEU A 45 3.276 1.363 5.898 1.00 0.00 N ATOM 675 CA LEU A 45 2.931 0.254 5.020 1.00 0.00 C ATOM 676 C LEU A 45 1.806 -0.582 5.616 1.00 0.00 C ATOM 677 O LEU A 45 0.836 -0.918 4.937 1.00 0.00 O ATOM 678 CB LEU A 45 4.161 -0.614 4.772 1.00 0.00 C ATOM 679 CG LEU A 45 5.222 0.033 3.884 1.00 0.00 C ATOM 680 CD1 LEU A 45 6.540 -0.716 3.981 1.00 0.00 C ATOM 681 CD2 LEU A 45 4.736 0.097 2.447 1.00 0.00 C ATOM 0 H LEU A 45 4.114 1.211 6.460 1.00 0.00 H new ATOM 0 HA LEU A 45 2.583 0.661 4.070 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.612 -0.866 5.732 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.843 -1.551 4.314 1.00 0.00 H new ATOM 0 HG LEU A 45 5.393 1.051 4.235 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.279 -0.236 3.340 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.891 -0.702 5.013 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.397 -1.748 3.660 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.501 0.560 1.824 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.536 -0.912 2.085 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.822 0.688 2.398 1.00 0.00 H new ATOM 692 N LYS A 46 1.948 -0.912 6.893 1.00 0.00 N ATOM 693 CA LYS A 46 0.950 -1.709 7.599 1.00 0.00 C ATOM 694 C LYS A 46 -0.410 -1.012 7.618 1.00 0.00 C ATOM 695 O LYS A 46 -1.434 -1.645 7.871 1.00 0.00 O ATOM 696 CB LYS A 46 1.410 -1.984 9.032 1.00 0.00 C ATOM 697 CG LYS A 46 0.520 -2.967 9.778 1.00 0.00 C ATOM 698 CD LYS A 46 -0.079 -2.348 11.034 1.00 0.00 C ATOM 699 CE LYS A 46 0.432 -3.032 12.292 1.00 0.00 C ATOM 700 NZ LYS A 46 1.773 -2.525 12.693 1.00 0.00 N ATOM 0 H LYS A 46 2.748 -0.639 7.464 1.00 0.00 H new ATOM 0 HA LYS A 46 0.841 -2.653 7.065 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.428 -2.373 9.010 1.00 0.00 H new ATOM 0 HB3 LYS A 46 1.440 -1.044 9.582 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -0.282 -3.302 9.120 1.00 0.00 H new ATOM 0 HG3 LYS A 46 1.100 -3.849 10.049 1.00 0.00 H new ATOM 0 HD2 LYS A 46 0.167 -1.287 11.070 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -1.166 -2.422 10.994 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -0.275 -2.871 13.106 1.00 0.00 H new ATOM 0 HE3 LYS A 46 0.486 -4.108 12.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 2.086 -3.016 13.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 2.454 -2.701 11.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 1.717 -1.503 12.878 1.00 0.00 H new ATOM 714 N ALA A 47 -0.415 0.294 7.354 1.00 0.00 N ATOM 715 CA ALA A 47 -1.650 1.074 7.346 1.00 0.00 C ATOM 716 C ALA A 47 -2.767 0.353 6.594 1.00 0.00 C ATOM 717 O ALA A 47 -3.924 0.372 7.014 1.00 0.00 O ATOM 718 CB ALA A 47 -1.403 2.444 6.734 1.00 0.00 C ATOM 0 H ALA A 47 0.424 0.834 7.143 1.00 0.00 H new ATOM 0 HA ALA A 47 -1.972 1.196 8.380 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.331 3.015 6.734 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.651 2.974 7.319 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.049 2.327 5.710 1.00 0.00 H new ATOM 724 N ASP A 48 -2.414 -0.283 5.482 1.00 0.00 N ATOM 725 CA ASP A 48 -3.388 -1.010 4.677 1.00 0.00 C ATOM 726 C ASP A 48 -3.369 -2.501 5.016 1.00 0.00 C ATOM 727 O ASP A 48 -2.333 -3.156 4.898 1.00 0.00 O ATOM 728 CB ASP A 48 -3.101 -0.808 3.188 1.00 0.00 C ATOM 729 CG ASP A 48 -4.343 -0.427 2.406 1.00 0.00 C ATOM 730 OD1 ASP A 48 -5.459 -0.674 2.909 1.00 0.00 O ATOM 731 OD2 ASP A 48 -4.200 0.118 1.291 1.00 0.00 O ATOM 0 H ASP A 48 -1.461 -0.310 5.118 1.00 0.00 H new ATOM 0 HA ASP A 48 -4.379 -0.617 4.905 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -2.347 -0.030 3.068 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.681 -1.725 2.774 1.00 0.00 H new ATOM 736 N PRO A 49 -4.514 -3.060 5.448 1.00 0.00 N ATOM 737 CA PRO A 49 -4.616 -4.474 5.807 1.00 0.00 C ATOM 738 C PRO A 49 -4.866 -5.374 4.599 1.00 0.00 C ATOM 739 O PRO A 49 -5.765 -6.214 4.618 1.00 0.00 O ATOM 740 CB PRO A 49 -5.819 -4.490 6.743 1.00 0.00 C ATOM 741 CG PRO A 49 -6.707 -3.409 6.227 1.00 0.00 C ATOM 742 CD PRO A 49 -5.802 -2.360 5.628 1.00 0.00 C ATOM 0 HA PRO A 49 -3.695 -4.857 6.247 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -6.321 -5.457 6.728 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -5.522 -4.301 7.775 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -7.398 -3.798 5.479 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -7.311 -2.987 7.030 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -6.192 -1.991 4.679 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -5.699 -1.498 6.287 1.00 0.00 H new ATOM 750 N ARG A 50 -4.066 -5.196 3.553 1.00 0.00 N ATOM 751 CA ARG A 50 -4.207 -6.000 2.343 1.00 0.00 C ATOM 752 C ARG A 50 -2.847 -6.462 1.823 1.00 0.00 C ATOM 753 O ARG A 50 -2.709 -7.591 1.352 1.00 0.00 O ATOM 754 CB ARG A 50 -4.954 -5.214 1.262 1.00 0.00 C ATOM 755 CG ARG A 50 -6.308 -5.811 0.910 1.00 0.00 C ATOM 756 CD ARG A 50 -7.420 -5.216 1.760 1.00 0.00 C ATOM 757 NE ARG A 50 -8.298 -6.247 2.309 1.00 0.00 N ATOM 758 CZ ARG A 50 -9.317 -5.993 3.127 1.00 0.00 C ATOM 759 NH1 ARG A 50 -9.592 -4.748 3.493 1.00 0.00 N ATOM 760 NH2 ARG A 50 -10.065 -6.990 3.581 1.00 0.00 N ATOM 0 H ARG A 50 -3.316 -4.505 3.518 1.00 0.00 H new ATOM 0 HA ARG A 50 -4.788 -6.887 2.596 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -5.094 -4.188 1.601 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -4.339 -5.172 0.363 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -6.521 -5.635 -0.144 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -6.278 -6.891 1.053 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -6.984 -4.639 2.575 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -8.007 -4.523 1.157 1.00 0.00 H new ATOM 0 HE ARG A 50 -8.120 -7.217 2.050 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -9.021 -3.977 3.147 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -10.375 -4.562 4.120 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -9.859 -7.950 3.303 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -10.846 -6.797 4.208 1.00 0.00 H new ATOM 774 N LEU A 51 -1.842 -5.594 1.918 1.00 0.00 N ATOM 775 CA LEU A 51 -0.499 -5.940 1.462 1.00 0.00 C ATOM 776 C LEU A 51 0.324 -6.489 2.630 1.00 0.00 C ATOM 777 O LEU A 51 -0.234 -6.849 3.666 1.00 0.00 O ATOM 778 CB LEU A 51 0.195 -4.731 0.816 1.00 0.00 C ATOM 779 CG LEU A 51 -0.719 -3.787 0.022 1.00 0.00 C ATOM 780 CD1 LEU A 51 -1.709 -4.575 -0.822 1.00 0.00 C ATOM 781 CD2 LEU A 51 -1.446 -2.831 0.955 1.00 0.00 C ATOM 0 H LEU A 51 -1.931 -4.654 2.303 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.580 -6.715 0.699 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.688 -4.156 1.600 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.976 -5.097 0.150 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.096 -3.198 -0.651 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.346 -3.885 -1.375 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.166 -5.209 -1.523 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.326 -5.197 -0.173 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.088 -2.171 0.372 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.054 -3.401 1.658 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.718 -2.235 1.505 1.00 0.00 H new ATOM 793 N VAL A 52 1.645 -6.577 2.465 1.00 0.00 N ATOM 794 CA VAL A 52 2.498 -7.116 3.523 1.00 0.00 C ATOM 795 C VAL A 52 3.724 -6.246 3.799 1.00 0.00 C ATOM 796 O VAL A 52 4.439 -5.849 2.879 1.00 0.00 O ATOM 797 CB VAL A 52 2.976 -8.547 3.180 1.00 0.00 C ATOM 798 CG1 VAL A 52 1.844 -9.357 2.572 1.00 0.00 C ATOM 799 CG2 VAL A 52 4.171 -8.517 2.235 1.00 0.00 C ATOM 0 H VAL A 52 2.141 -6.287 1.622 1.00 0.00 H new ATOM 0 HA VAL A 52 1.879 -7.131 4.420 1.00 0.00 H new ATOM 0 HB VAL A 52 3.290 -9.025 4.108 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.200 -10.360 2.338 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.020 -9.421 3.283 1.00 0.00 H new ATOM 0 HG13 VAL A 52 1.499 -8.872 1.659 1.00 0.00 H new ATOM 0 HG21 VAL A 52 4.484 -9.537 2.012 1.00 0.00 H new ATOM 0 HG22 VAL A 52 3.891 -8.013 1.310 1.00 0.00 H new ATOM 0 HG23 VAL A 52 4.994 -7.979 2.706 1.00 0.00 H new ATOM 809 N VAL A 53 3.974 -5.988 5.081 1.00 0.00 N ATOM 810 CA VAL A 53 5.134 -5.201 5.500 1.00 0.00 C ATOM 811 C VAL A 53 5.870 -5.916 6.631 1.00 0.00 C ATOM 812 O VAL A 53 5.341 -6.065 7.732 1.00 0.00 O ATOM 813 CB VAL A 53 4.732 -3.777 5.946 1.00 0.00 C ATOM 814 CG1 VAL A 53 3.494 -3.812 6.829 1.00 0.00 C ATOM 815 CG2 VAL A 53 5.879 -3.066 6.657 1.00 0.00 C ATOM 0 H VAL A 53 3.388 -6.313 5.850 1.00 0.00 H new ATOM 0 HA VAL A 53 5.796 -5.103 4.639 1.00 0.00 H new ATOM 0 HB VAL A 53 4.497 -3.209 5.046 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.232 -2.797 7.129 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.665 -4.252 6.275 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.697 -4.412 7.716 1.00 0.00 H new ATOM 0 HG21 VAL A 53 5.559 -2.068 6.956 1.00 0.00 H new ATOM 0 HG22 VAL A 53 6.167 -3.634 7.541 1.00 0.00 H new ATOM 0 HG23 VAL A 53 6.732 -2.987 5.983 1.00 0.00 H new ATOM 825 N GLN A 54 7.087 -6.374 6.346 1.00 0.00 N ATOM 826 CA GLN A 54 7.883 -7.095 7.339 1.00 0.00 C ATOM 827 C GLN A 54 9.277 -6.494 7.494 1.00 0.00 C ATOM 828 O GLN A 54 10.012 -6.352 6.519 1.00 0.00 O ATOM 829 CB GLN A 54 7.993 -8.572 6.953 1.00 0.00 C ATOM 830 CG GLN A 54 6.937 -9.450 7.604 1.00 0.00 C ATOM 831 CD GLN A 54 7.513 -10.372 8.661 1.00 0.00 C ATOM 832 OE1 GLN A 54 8.689 -10.734 8.611 1.00 0.00 O ATOM 833 NE2 GLN A 54 6.685 -10.756 9.626 1.00 0.00 N ATOM 0 H GLN A 54 7.543 -6.260 5.441 1.00 0.00 H new ATOM 0 HA GLN A 54 7.373 -7.005 8.298 1.00 0.00 H new ATOM 0 HB2 GLN A 54 7.912 -8.663 5.870 1.00 0.00 H new ATOM 0 HB3 GLN A 54 8.981 -8.939 7.231 1.00 0.00 H new ATOM 0 HG2 GLN A 54 6.173 -8.818 8.057 1.00 0.00 H new ATOM 0 HG3 GLN A 54 6.443 -10.047 6.837 1.00 0.00 H new ATOM 0 HE21 GLN A 54 5.718 -10.431 9.628 1.00 0.00 H new ATOM 0 HE22 GLN A 54 7.016 -11.376 10.365 1.00 0.00 H new ATOM 842 N ILE A 55 9.637 -6.163 8.732 1.00 0.00 N ATOM 843 CA ILE A 55 10.947 -5.589 9.033 1.00 0.00 C ATOM 844 C ILE A 55 11.976 -6.682 9.296 1.00 0.00 C ATOM 845 O ILE A 55 11.764 -7.559 10.134 1.00 0.00 O ATOM 846 CB ILE A 55 10.884 -4.660 10.262 1.00 0.00 C ATOM 847 CG1 ILE A 55 10.422 -5.436 11.499 1.00 0.00 C ATOM 848 CG2 ILE A 55 9.956 -3.485 9.992 1.00 0.00 C ATOM 849 CD1 ILE A 55 11.557 -5.868 12.401 1.00 0.00 C ATOM 0 H ILE A 55 9.036 -6.283 9.547 1.00 0.00 H new ATOM 0 HA ILE A 55 11.246 -5.009 8.160 1.00 0.00 H new ATOM 0 HB ILE A 55 11.885 -4.273 10.454 1.00 0.00 H new ATOM 0 HG12 ILE A 55 9.731 -4.816 12.070 1.00 0.00 H new ATOM 0 HG13 ILE A 55 9.868 -6.318 11.178 1.00 0.00 H new ATOM 0 HG21 ILE A 55 9.922 -2.839 10.869 1.00 0.00 H new ATOM 0 HG22 ILE A 55 10.326 -2.918 9.138 1.00 0.00 H new ATOM 0 HG23 ILE A 55 8.954 -3.855 9.776 1.00 0.00 H new ATOM 0 HD11 ILE A 55 11.155 -6.412 13.256 1.00 0.00 H new ATOM 0 HD12 ILE A 55 12.237 -6.515 11.846 1.00 0.00 H new ATOM 0 HD13 ILE A 55 12.098 -4.989 12.752 1.00 0.00 H new ATOM 861 N THR A 56 13.093 -6.623 8.576 1.00 0.00 N ATOM 862 CA THR A 56 14.157 -7.605 8.732 1.00 0.00 C ATOM 863 C THR A 56 15.471 -6.928 9.105 1.00 0.00 C ATOM 864 O THR A 56 16.126 -6.316 8.262 1.00 0.00 O ATOM 865 CB THR A 56 14.331 -8.408 7.442 1.00 0.00 C ATOM 866 OG1 THR A 56 14.246 -7.562 6.310 1.00 0.00 O ATOM 867 CG2 THR A 56 13.299 -9.503 7.275 1.00 0.00 C ATOM 0 H THR A 56 13.283 -5.904 7.878 1.00 0.00 H new ATOM 0 HA THR A 56 13.877 -8.283 9.538 1.00 0.00 H new ATOM 0 HB THR A 56 15.316 -8.868 7.519 1.00 0.00 H new ATOM 0 HG1 THR A 56 14.820 -6.779 6.443 1.00 0.00 H new ATOM 0 HG21 THR A 56 13.480 -10.034 6.340 1.00 0.00 H new ATOM 0 HG22 THR A 56 13.371 -10.202 8.109 1.00 0.00 H new ATOM 0 HG23 THR A 56 12.302 -9.063 7.256 1.00 0.00 H new ATOM 1312 N LEU A 89 -13.726 -23.548 -24.798 1.00 0.00 N ATOM 1313 CA LEU A 89 -14.418 -23.499 -26.080 1.00 0.00 C ATOM 1314 C LEU A 89 -15.654 -22.605 -26.013 1.00 0.00 C ATOM 1315 O LEU A 89 -16.178 -22.182 -27.044 1.00 0.00 O ATOM 1316 CB LEU A 89 -14.816 -24.910 -26.522 1.00 0.00 C ATOM 1317 CG LEU A 89 -13.815 -25.602 -27.448 1.00 0.00 C ATOM 1318 CD1 LEU A 89 -13.529 -24.739 -28.668 1.00 0.00 C ATOM 1319 CD2 LEU A 89 -12.529 -25.915 -26.700 1.00 0.00 C ATOM 0 HA LEU A 89 -13.732 -23.073 -26.812 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -14.954 -25.527 -25.634 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -15.780 -24.858 -27.028 1.00 0.00 H new ATOM 0 HG LEU A 89 -14.252 -26.540 -27.789 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -12.815 -25.248 -29.315 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -14.455 -24.565 -29.216 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -13.112 -23.784 -28.348 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -11.827 -26.407 -27.373 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -12.088 -24.989 -26.330 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -12.748 -26.573 -25.859 1.00 0.00 H new ATOM 1331 N ASN A 90 -16.120 -22.320 -24.799 1.00 0.00 N ATOM 1332 CA ASN A 90 -17.299 -21.477 -24.612 1.00 0.00 C ATOM 1333 C ASN A 90 -17.192 -20.191 -25.430 1.00 0.00 C ATOM 1334 O ASN A 90 -18.117 -19.830 -26.159 1.00 0.00 O ATOM 1335 CB ASN A 90 -17.478 -21.137 -23.131 1.00 0.00 C ATOM 1336 CG ASN A 90 -17.659 -22.373 -22.272 1.00 0.00 C ATOM 1337 OD1 ASN A 90 -18.450 -23.259 -22.597 1.00 0.00 O ATOM 1338 ND2 ASN A 90 -16.925 -22.439 -21.167 1.00 0.00 N ATOM 0 H ASN A 90 -15.701 -22.659 -23.933 1.00 0.00 H new ATOM 0 HA ASN A 90 -18.168 -22.034 -24.961 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -16.609 -20.579 -22.782 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -18.344 -20.486 -23.013 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -17.004 -23.247 -20.549 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -16.282 -21.682 -20.936 1.00 0.00 H new ATOM 1345 N THR A 91 -16.061 -19.503 -25.304 1.00 0.00 N ATOM 1346 CA THR A 91 -15.838 -18.256 -26.031 1.00 0.00 C ATOM 1347 C THR A 91 -15.843 -18.462 -27.552 1.00 0.00 C ATOM 1348 O THR A 91 -15.907 -17.494 -28.309 1.00 0.00 O ATOM 1349 CB THR A 91 -14.512 -17.625 -25.597 1.00 0.00 C ATOM 1350 OG1 THR A 91 -13.756 -18.530 -24.812 1.00 0.00 O ATOM 1351 CG2 THR A 91 -14.689 -16.357 -24.790 1.00 0.00 C ATOM 0 H THR A 91 -15.285 -19.787 -24.706 1.00 0.00 H new ATOM 0 HA THR A 91 -16.663 -17.587 -25.787 1.00 0.00 H new ATOM 0 HB THR A 91 -13.994 -17.379 -26.524 1.00 0.00 H new ATOM 0 HG1 THR A 91 -13.526 -19.316 -25.350 1.00 0.00 H new ATOM 0 HG21 THR A 91 -13.711 -15.962 -24.515 1.00 0.00 H new ATOM 0 HG22 THR A 91 -15.225 -15.618 -25.386 1.00 0.00 H new ATOM 0 HG23 THR A 91 -15.259 -16.577 -23.887 1.00 0.00 H new ATOM 1359 N PHE A 92 -15.773 -19.717 -28.001 1.00 0.00 N ATOM 1360 CA PHE A 92 -15.767 -20.018 -29.427 1.00 0.00 C ATOM 1361 C PHE A 92 -17.179 -20.330 -29.916 1.00 0.00 C ATOM 1362 O PHE A 92 -17.836 -21.236 -29.401 1.00 0.00 O ATOM 1363 CB PHE A 92 -14.840 -21.204 -29.711 1.00 0.00 C ATOM 1364 CG PHE A 92 -13.379 -20.872 -29.580 1.00 0.00 C ATOM 1365 CD1 PHE A 92 -12.890 -20.255 -28.437 1.00 0.00 C ATOM 1366 CD2 PHE A 92 -12.490 -21.178 -30.600 1.00 0.00 C ATOM 1367 CE1 PHE A 92 -11.548 -19.950 -28.316 1.00 0.00 C ATOM 1368 CE2 PHE A 92 -11.147 -20.875 -30.484 1.00 0.00 C ATOM 1369 CZ PHE A 92 -10.676 -20.260 -29.340 1.00 0.00 C ATOM 0 H PHE A 92 -15.720 -20.537 -27.396 1.00 0.00 H new ATOM 0 HA PHE A 92 -15.400 -19.143 -29.963 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -15.082 -22.016 -29.025 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -15.032 -21.571 -30.719 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -13.567 -20.010 -27.632 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -12.852 -21.659 -31.496 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -11.182 -19.469 -27.421 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -10.466 -21.119 -31.286 1.00 0.00 H new ATOM 0 HZ PHE A 92 -9.627 -20.022 -29.247 1.00 0.00 H new ATOM 1379 N THR A 93 -17.645 -19.576 -30.908 1.00 0.00 N ATOM 1380 CA THR A 93 -18.984 -19.779 -31.451 1.00 0.00 C ATOM 1381 C THR A 93 -18.932 -20.173 -32.931 1.00 0.00 C ATOM 1382 O THR A 93 -18.771 -21.350 -33.257 1.00 0.00 O ATOM 1383 CB THR A 93 -19.831 -18.518 -31.259 1.00 0.00 C ATOM 1384 OG1 THR A 93 -19.106 -17.362 -31.642 1.00 0.00 O ATOM 1385 CG2 THR A 93 -20.291 -18.317 -29.831 1.00 0.00 C ATOM 0 H THR A 93 -17.118 -18.823 -31.350 1.00 0.00 H new ATOM 0 HA THR A 93 -19.448 -20.601 -30.906 1.00 0.00 H new ATOM 0 HB THR A 93 -20.708 -18.662 -31.890 1.00 0.00 H new ATOM 0 HG1 THR A 93 -19.665 -16.568 -31.513 1.00 0.00 H new ATOM 0 HG21 THR A 93 -20.886 -17.406 -29.765 1.00 0.00 H new ATOM 0 HG22 THR A 93 -20.896 -19.169 -29.520 1.00 0.00 H new ATOM 0 HG23 THR A 93 -19.423 -18.231 -29.178 1.00 0.00 H new ATOM 1393 N VAL A 94 -19.074 -19.194 -33.822 1.00 0.00 N ATOM 1394 CA VAL A 94 -19.045 -19.460 -35.258 1.00 0.00 C ATOM 1395 C VAL A 94 -18.241 -18.399 -36.006 1.00 0.00 C ATOM 1396 O VAL A 94 -17.569 -18.695 -36.992 1.00 0.00 O ATOM 1397 CB VAL A 94 -20.466 -19.528 -35.852 1.00 0.00 C ATOM 1398 CG1 VAL A 94 -21.118 -20.861 -35.525 1.00 0.00 C ATOM 1399 CG2 VAL A 94 -21.318 -18.371 -35.349 1.00 0.00 C ATOM 0 H VAL A 94 -19.210 -18.213 -33.576 1.00 0.00 H new ATOM 0 HA VAL A 94 -18.562 -20.429 -35.384 1.00 0.00 H new ATOM 0 HB VAL A 94 -20.388 -19.443 -36.936 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -22.120 -20.890 -35.952 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -20.521 -21.671 -35.944 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -21.181 -20.979 -34.443 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -22.316 -18.439 -35.781 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -21.389 -18.417 -34.262 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -20.859 -17.427 -35.643 1.00 0.00 H new ATOM 1409 N GLU A 95 -18.314 -17.165 -35.533 1.00 0.00 N ATOM 1410 CA GLU A 95 -17.589 -16.065 -36.150 1.00 0.00 C ATOM 1411 C GLU A 95 -16.139 -16.015 -35.666 1.00 0.00 C ATOM 1412 O GLU A 95 -15.288 -15.395 -36.304 1.00 0.00 O ATOM 1413 CB GLU A 95 -18.286 -14.737 -35.850 1.00 0.00 C ATOM 1414 CG GLU A 95 -18.369 -14.414 -34.368 1.00 0.00 C ATOM 1415 CD GLU A 95 -19.729 -13.877 -33.964 1.00 0.00 C ATOM 1416 OE1 GLU A 95 -20.736 -14.289 -34.577 1.00 0.00 O ATOM 1417 OE2 GLU A 95 -19.786 -13.046 -33.033 1.00 0.00 O ATOM 0 H GLU A 95 -18.870 -16.899 -34.720 1.00 0.00 H new ATOM 0 HA GLU A 95 -17.582 -16.232 -37.227 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -17.753 -13.934 -36.359 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -19.294 -14.764 -36.264 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -18.151 -15.313 -33.791 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -17.603 -13.680 -34.116 1.00 0.00 H new ATOM 1424 N GLN A 96 -15.871 -16.637 -34.520 1.00 0.00 N ATOM 1425 CA GLN A 96 -14.535 -16.622 -33.937 1.00 0.00 C ATOM 1426 C GLN A 96 -13.623 -17.689 -34.527 1.00 0.00 C ATOM 1427 O GLN A 96 -12.434 -17.443 -34.730 1.00 0.00 O ATOM 1428 CB GLN A 96 -14.626 -16.792 -32.418 1.00 0.00 C ATOM 1429 CG GLN A 96 -14.132 -15.584 -31.640 1.00 0.00 C ATOM 1430 CD GLN A 96 -13.314 -15.967 -30.422 1.00 0.00 C ATOM 1431 OE1 GLN A 96 -13.561 -15.483 -29.318 1.00 0.00 O ATOM 1432 NE2 GLN A 96 -12.334 -16.841 -30.618 1.00 0.00 N ATOM 0 H GLN A 96 -16.562 -17.157 -33.979 1.00 0.00 H new ATOM 0 HA GLN A 96 -14.092 -15.656 -34.178 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -15.662 -16.991 -32.145 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -14.045 -17.666 -32.123 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -13.528 -14.957 -32.296 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -14.987 -14.985 -31.325 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -12.165 -17.217 -31.551 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -11.750 -17.137 -29.836 1.00 0.00 H new ATOM 1441 N LEU A 97 -14.162 -18.866 -34.802 1.00 0.00 N ATOM 1442 CA LEU A 97 -13.342 -19.929 -35.366 1.00 0.00 C ATOM 1443 C LEU A 97 -13.093 -19.657 -36.841 1.00 0.00 C ATOM 1444 O LEU A 97 -11.957 -19.688 -37.306 1.00 0.00 O ATOM 1445 CB LEU A 97 -13.943 -21.332 -35.158 1.00 0.00 C ATOM 1446 CG LEU A 97 -15.436 -21.430 -34.821 1.00 0.00 C ATOM 1447 CD1 LEU A 97 -15.768 -20.728 -33.512 1.00 0.00 C ATOM 1448 CD2 LEU A 97 -16.269 -20.888 -35.955 1.00 0.00 C ATOM 0 H LEU A 97 -15.141 -19.108 -34.649 1.00 0.00 H new ATOM 0 HA LEU A 97 -12.394 -19.927 -34.828 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -13.766 -21.909 -36.065 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -13.387 -21.819 -34.357 1.00 0.00 H new ATOM 0 HG LEU A 97 -15.678 -22.484 -34.688 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -16.835 -20.821 -33.310 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -15.204 -21.186 -32.700 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -15.503 -19.673 -33.587 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -17.326 -20.965 -35.699 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -16.013 -19.843 -36.127 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -16.071 -21.464 -36.859 1.00 0.00 H new ATOM 1460 N LYS A 98 -14.161 -19.363 -37.564 1.00 0.00 N ATOM 1461 CA LYS A 98 -14.063 -19.051 -38.981 1.00 0.00 C ATOM 1462 C LYS A 98 -13.104 -17.883 -39.212 1.00 0.00 C ATOM 1463 O LYS A 98 -12.412 -17.836 -40.229 1.00 0.00 O ATOM 1464 CB LYS A 98 -15.451 -18.710 -39.530 1.00 0.00 C ATOM 1465 CG LYS A 98 -15.894 -19.596 -40.684 1.00 0.00 C ATOM 1466 CD LYS A 98 -17.410 -19.719 -40.738 1.00 0.00 C ATOM 1467 CE LYS A 98 -17.954 -20.538 -39.576 1.00 0.00 C ATOM 1468 NZ LYS A 98 -19.443 -20.550 -39.555 1.00 0.00 N ATOM 0 H LYS A 98 -15.110 -19.334 -37.191 1.00 0.00 H new ATOM 0 HA LYS A 98 -13.672 -19.923 -39.506 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -16.179 -18.790 -38.723 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -15.455 -17.671 -39.861 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -15.527 -19.183 -41.624 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -15.451 -20.586 -40.576 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -17.856 -18.724 -40.722 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -17.703 -20.184 -41.679 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -17.584 -21.561 -39.648 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -17.581 -20.129 -38.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -19.774 -21.118 -38.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -19.797 -19.577 -39.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -19.799 -20.964 -40.440 1.00 0.00 H new ATOM 1482 N ALA A 99 -13.066 -16.938 -38.269 1.00 0.00 N ATOM 1483 CA ALA A 99 -12.186 -15.779 -38.396 1.00 0.00 C ATOM 1484 C ALA A 99 -10.784 -16.071 -37.887 1.00 0.00 C ATOM 1485 O ALA A 99 -9.814 -15.445 -38.313 1.00 0.00 O ATOM 1486 CB ALA A 99 -12.778 -14.578 -37.676 1.00 0.00 C ATOM 0 H ALA A 99 -13.629 -16.954 -37.419 1.00 0.00 H new ATOM 0 HA ALA A 99 -12.104 -15.547 -39.458 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -12.109 -13.724 -37.781 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -13.748 -14.335 -38.111 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -12.903 -14.813 -36.619 1.00 0.00 H new ATOM 1492 N GLN A 100 -10.687 -17.020 -36.980 1.00 0.00 N ATOM 1493 CA GLN A 100 -9.402 -17.401 -36.408 1.00 0.00 C ATOM 1494 C GLN A 100 -8.712 -18.451 -37.267 1.00 0.00 C ATOM 1495 O GLN A 100 -7.506 -18.377 -37.507 1.00 0.00 O ATOM 1496 CB GLN A 100 -9.580 -17.923 -34.981 1.00 0.00 C ATOM 1497 CG GLN A 100 -9.644 -16.824 -33.934 1.00 0.00 C ATOM 1498 CD GLN A 100 -8.881 -17.176 -32.671 1.00 0.00 C ATOM 1499 OE1 GLN A 100 -7.860 -16.565 -32.358 1.00 0.00 O ATOM 1500 NE2 GLN A 100 -9.375 -18.169 -31.941 1.00 0.00 N ATOM 0 H GLN A 100 -11.482 -17.546 -36.619 1.00 0.00 H new ATOM 0 HA GLN A 100 -8.772 -16.512 -36.380 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -10.494 -18.514 -34.931 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -8.754 -18.593 -34.742 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -9.239 -15.903 -34.354 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -10.686 -16.628 -33.682 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -10.225 -18.648 -32.239 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -8.905 -18.453 -31.082 1.00 0.00 H new ATOM 1509 N LEU A 101 -9.481 -19.431 -37.732 1.00 0.00 N ATOM 1510 CA LEU A 101 -8.939 -20.496 -38.566 1.00 0.00 C ATOM 1511 C LEU A 101 -8.217 -19.911 -39.769 1.00 0.00 C ATOM 1512 O LEU A 101 -7.088 -20.293 -40.081 1.00 0.00 O ATOM 1513 CB LEU A 101 -10.057 -21.429 -39.048 1.00 0.00 C ATOM 1514 CG LEU A 101 -10.388 -22.617 -38.134 1.00 0.00 C ATOM 1515 CD1 LEU A 101 -11.182 -23.665 -38.898 1.00 0.00 C ATOM 1516 CD2 LEU A 101 -9.125 -23.234 -37.543 1.00 0.00 C ATOM 0 H LEU A 101 -10.481 -19.509 -37.545 1.00 0.00 H new ATOM 0 HA LEU A 101 -8.233 -21.068 -37.964 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -10.963 -20.838 -39.183 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -9.781 -21.817 -40.028 1.00 0.00 H new ATOM 0 HG LEU A 101 -10.995 -22.245 -37.308 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -11.410 -24.502 -38.238 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -12.111 -23.225 -39.260 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -10.595 -24.020 -39.745 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -9.396 -24.072 -36.901 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -8.481 -23.587 -38.349 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -8.594 -22.484 -36.956 1.00 0.00 H new ATOM 1528 N THR A 102 -8.877 -18.974 -40.438 1.00 0.00 N ATOM 1529 CA THR A 102 -8.300 -18.326 -41.605 1.00 0.00 C ATOM 1530 C THR A 102 -7.086 -17.512 -41.201 1.00 0.00 C ATOM 1531 O THR A 102 -6.077 -17.487 -41.906 1.00 0.00 O ATOM 1532 CB THR A 102 -9.329 -17.427 -42.288 1.00 0.00 C ATOM 1533 OG1 THR A 102 -10.382 -17.096 -41.398 1.00 0.00 O ATOM 1534 CG2 THR A 102 -9.938 -18.062 -43.514 1.00 0.00 C ATOM 0 H THR A 102 -9.811 -18.647 -40.191 1.00 0.00 H new ATOM 0 HA THR A 102 -7.994 -19.098 -42.311 1.00 0.00 H new ATOM 0 HB THR A 102 -8.784 -16.533 -42.590 1.00 0.00 H new ATOM 0 HG1 THR A 102 -11.038 -17.824 -41.382 1.00 0.00 H new ATOM 0 HG21 THR A 102 -10.661 -17.377 -43.957 1.00 0.00 H new ATOM 0 HG22 THR A 102 -9.153 -18.280 -44.239 1.00 0.00 H new ATOM 0 HG23 THR A 102 -10.440 -18.988 -43.233 1.00 0.00 H new ATOM 1542 N GLU A 103 -7.188 -16.851 -40.056 1.00 0.00 N ATOM 1543 CA GLU A 103 -6.088 -16.044 -39.557 1.00 0.00 C ATOM 1544 C GLU A 103 -4.983 -16.920 -38.975 1.00 0.00 C ATOM 1545 O GLU A 103 -3.910 -16.432 -38.620 1.00 0.00 O ATOM 1546 CB GLU A 103 -6.583 -15.044 -38.509 1.00 0.00 C ATOM 1547 CG GLU A 103 -6.581 -13.603 -38.994 1.00 0.00 C ATOM 1548 CD GLU A 103 -7.979 -13.059 -39.218 1.00 0.00 C ATOM 1549 OE1 GLU A 103 -8.797 -13.122 -38.277 1.00 0.00 O ATOM 1550 OE2 GLU A 103 -8.254 -12.572 -40.335 1.00 0.00 O ATOM 0 H GLU A 103 -8.016 -16.858 -39.460 1.00 0.00 H new ATOM 0 HA GLU A 103 -5.673 -15.489 -40.398 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -7.595 -15.316 -38.209 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -5.956 -15.121 -37.621 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -6.065 -12.979 -38.264 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -6.017 -13.538 -39.924 1.00 0.00 H new ATOM 1557 N ARG A 104 -5.252 -18.217 -38.886 1.00 0.00 N ATOM 1558 CA ARG A 104 -4.282 -19.167 -38.354 1.00 0.00 C ATOM 1559 C ARG A 104 -3.671 -20.012 -39.472 1.00 0.00 C ATOM 1560 O ARG A 104 -2.643 -20.662 -39.277 1.00 0.00 O ATOM 1561 CB ARG A 104 -4.945 -20.074 -37.317 1.00 0.00 C ATOM 1562 CG ARG A 104 -4.818 -19.562 -35.892 1.00 0.00 C ATOM 1563 CD ARG A 104 -4.679 -20.704 -34.899 1.00 0.00 C ATOM 1564 NE ARG A 104 -4.033 -20.277 -33.660 1.00 0.00 N ATOM 1565 CZ ARG A 104 -4.083 -20.967 -32.522 1.00 0.00 C ATOM 1566 NH1 ARG A 104 -4.747 -22.116 -32.463 1.00 0.00 N ATOM 1567 NH2 ARG A 104 -3.466 -20.509 -31.442 1.00 0.00 N ATOM 0 H ARG A 104 -6.136 -18.636 -39.176 1.00 0.00 H new ATOM 0 HA ARG A 104 -3.482 -18.601 -37.876 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -6.001 -20.181 -37.563 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -4.501 -21.067 -37.378 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -3.951 -18.905 -35.816 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -5.694 -18.964 -35.640 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -5.665 -21.109 -34.673 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -4.100 -21.509 -35.351 1.00 0.00 H new ATOM 0 HE ARG A 104 -3.513 -19.399 -33.667 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -5.222 -22.474 -33.292 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -4.782 -22.640 -31.589 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -2.953 -19.628 -31.483 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -3.504 -21.037 -30.570 1.00 0.00 H new ATOM 1581 N GLY A 105 -4.304 -19.994 -40.644 1.00 0.00 N ATOM 1582 CA GLY A 105 -3.801 -20.758 -41.770 1.00 0.00 C ATOM 1583 C GLY A 105 -4.065 -22.246 -41.635 1.00 0.00 C ATOM 1584 O GLY A 105 -3.134 -23.033 -41.462 1.00 0.00 O ATOM 0 H GLY A 105 -5.155 -19.464 -40.832 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -4.264 -20.393 -42.687 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -2.728 -20.591 -41.866 1.00 0.00 H new ATOM 1588 N ILE A 106 -5.334 -22.633 -41.715 1.00 0.00 N ATOM 1589 CA ILE A 106 -5.713 -24.032 -41.604 1.00 0.00 C ATOM 1590 C ILE A 106 -6.411 -24.501 -42.890 1.00 0.00 C ATOM 1591 O ILE A 106 -6.078 -24.032 -43.979 1.00 0.00 O ATOM 1592 CB ILE A 106 -6.606 -24.252 -40.355 1.00 0.00 C ATOM 1593 CG1 ILE A 106 -6.608 -25.727 -39.941 1.00 0.00 C ATOM 1594 CG2 ILE A 106 -8.025 -23.743 -40.588 1.00 0.00 C ATOM 1595 CD1 ILE A 106 -5.911 -25.986 -38.624 1.00 0.00 C ATOM 0 H ILE A 106 -6.117 -21.994 -41.857 1.00 0.00 H new ATOM 0 HA ILE A 106 -4.814 -24.635 -41.478 1.00 0.00 H new ATOM 0 HB ILE A 106 -6.182 -23.671 -39.536 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -7.639 -26.075 -39.872 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -6.124 -26.315 -40.721 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -8.624 -23.913 -39.693 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -7.997 -22.676 -40.809 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -8.469 -24.276 -41.428 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -5.951 -27.051 -38.394 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -4.870 -25.669 -38.695 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -6.408 -25.425 -37.833 1.00 0.00 H new ATOM 1607 N THR A 107 -7.372 -25.416 -42.776 1.00 0.00 N ATOM 1608 CA THR A 107 -8.088 -25.917 -43.942 1.00 0.00 C ATOM 1609 C THR A 107 -9.507 -26.339 -43.569 1.00 0.00 C ATOM 1610 O THR A 107 -9.711 -27.385 -42.953 1.00 0.00 O ATOM 1611 CB THR A 107 -7.339 -27.099 -44.559 1.00 0.00 C ATOM 1612 OG1 THR A 107 -8.080 -27.661 -45.628 1.00 0.00 O ATOM 1613 CG2 THR A 107 -7.049 -28.208 -43.568 1.00 0.00 C ATOM 0 H THR A 107 -7.670 -25.823 -41.890 1.00 0.00 H new ATOM 0 HA THR A 107 -8.147 -25.111 -44.674 1.00 0.00 H new ATOM 0 HB THR A 107 -6.392 -26.689 -44.909 1.00 0.00 H new ATOM 0 HG1 THR A 107 -7.583 -28.414 -46.010 1.00 0.00 H new ATOM 0 HG21 THR A 107 -6.516 -29.015 -44.071 1.00 0.00 H new ATOM 0 HG22 THR A 107 -6.435 -27.819 -42.756 1.00 0.00 H new ATOM 0 HG23 THR A 107 -7.987 -28.589 -43.164 1.00 0.00 H new ATOM 1621 N PHE A 108 -10.482 -25.519 -43.947 1.00 0.00 N ATOM 1622 CA PHE A 108 -11.881 -25.809 -43.650 1.00 0.00 C ATOM 1623 C PHE A 108 -12.784 -25.381 -44.804 1.00 0.00 C ATOM 1624 O PHE A 108 -13.595 -24.464 -44.666 1.00 0.00 O ATOM 1625 CB PHE A 108 -12.308 -25.104 -42.360 1.00 0.00 C ATOM 1626 CG PHE A 108 -12.251 -23.604 -42.445 1.00 0.00 C ATOM 1627 CD1 PHE A 108 -11.044 -22.953 -42.648 1.00 0.00 C ATOM 1628 CD2 PHE A 108 -13.405 -22.847 -42.322 1.00 0.00 C ATOM 1629 CE1 PHE A 108 -10.990 -21.575 -42.726 1.00 0.00 C ATOM 1630 CE2 PHE A 108 -13.357 -21.469 -42.400 1.00 0.00 C ATOM 1631 CZ PHE A 108 -12.148 -20.831 -42.602 1.00 0.00 C ATOM 0 H PHE A 108 -10.330 -24.650 -44.459 1.00 0.00 H new ATOM 0 HA PHE A 108 -11.982 -26.886 -43.516 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -13.325 -25.407 -42.110 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -11.667 -25.438 -41.544 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -10.136 -23.530 -42.746 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -14.353 -23.340 -42.163 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -10.044 -21.079 -42.884 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -14.264 -20.890 -42.303 1.00 0.00 H new ATOM 0 HZ PHE A 108 -12.108 -19.753 -42.663 1.00 0.00 H new ATOM 1641 N LYS A 109 -12.638 -26.051 -45.942 1.00 0.00 N ATOM 1642 CA LYS A 109 -13.441 -25.742 -47.119 1.00 0.00 C ATOM 1643 C LYS A 109 -14.415 -26.874 -47.426 1.00 0.00 C ATOM 1644 O LYS A 109 -15.507 -26.642 -47.947 1.00 0.00 O ATOM 1645 CB LYS A 109 -12.534 -25.489 -48.328 1.00 0.00 C ATOM 1646 CG LYS A 109 -12.300 -24.014 -48.613 1.00 0.00 C ATOM 1647 CD LYS A 109 -13.549 -23.347 -49.166 1.00 0.00 C ATOM 1648 CE LYS A 109 -13.466 -23.172 -50.674 1.00 0.00 C ATOM 1649 NZ LYS A 109 -12.616 -22.008 -51.052 1.00 0.00 N ATOM 0 H LYS A 109 -11.971 -26.811 -46.074 1.00 0.00 H new ATOM 0 HA LYS A 109 -14.017 -24.840 -46.910 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -11.573 -25.975 -48.159 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -12.977 -25.955 -49.208 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -11.993 -23.510 -47.697 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -11.483 -23.906 -49.326 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -14.424 -23.947 -48.916 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -13.683 -22.374 -48.693 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -13.061 -24.079 -51.123 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -14.469 -23.036 -51.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -12.585 -21.923 -52.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -13.017 -21.139 -50.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -11.652 -22.149 -50.687 1.00 0.00 H new ATOM 1663 N GLN A 110 -14.016 -28.100 -47.101 1.00 0.00 N ATOM 1664 CA GLN A 110 -14.858 -29.266 -47.344 1.00 0.00 C ATOM 1665 C GLN A 110 -14.676 -30.311 -46.248 1.00 0.00 C ATOM 1666 O GLN A 110 -14.244 -31.434 -46.510 1.00 0.00 O ATOM 1667 CB GLN A 110 -14.534 -29.877 -48.709 1.00 0.00 C ATOM 1668 CG GLN A 110 -15.362 -29.299 -49.846 1.00 0.00 C ATOM 1669 CD GLN A 110 -16.445 -30.250 -50.319 1.00 0.00 C ATOM 1670 OE1 GLN A 110 -16.730 -31.257 -49.671 1.00 0.00 O ATOM 1671 NE2 GLN A 110 -17.055 -29.933 -51.455 1.00 0.00 N ATOM 0 H GLN A 110 -13.116 -28.311 -46.669 1.00 0.00 H new ATOM 0 HA GLN A 110 -15.898 -28.940 -47.336 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -13.477 -29.723 -48.925 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -14.696 -30.954 -48.664 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -15.820 -28.366 -49.519 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -14.706 -29.056 -50.682 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -16.787 -29.088 -51.960 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -17.792 -30.534 -51.823 1.00 0.00 H new ATOM 1680 N SER A 111 -15.013 -29.937 -45.017 1.00 0.00 N ATOM 1681 CA SER A 111 -14.891 -30.845 -43.881 1.00 0.00 C ATOM 1682 C SER A 111 -15.327 -30.165 -42.588 1.00 0.00 C ATOM 1683 O SER A 111 -15.955 -30.787 -41.731 1.00 0.00 O ATOM 1684 CB SER A 111 -13.449 -31.346 -43.747 1.00 0.00 C ATOM 1685 OG SER A 111 -13.293 -32.618 -44.347 1.00 0.00 O ATOM 0 H SER A 111 -15.372 -29.012 -44.781 1.00 0.00 H new ATOM 0 HA SER A 111 -15.547 -31.696 -44.061 1.00 0.00 H new ATOM 0 HB2 SER A 111 -12.769 -30.634 -44.215 1.00 0.00 H new ATOM 0 HB3 SER A 111 -13.177 -31.402 -42.693 1.00 0.00 H new ATOM 0 HG SER A 111 -13.568 -32.572 -45.287 1.00 0.00 H new ATOM 1691 N ALA A 112 -14.994 -28.886 -42.452 1.00 0.00 N ATOM 1692 CA ALA A 112 -15.356 -28.126 -41.263 1.00 0.00 C ATOM 1693 C ALA A 112 -16.378 -27.046 -41.595 1.00 0.00 C ATOM 1694 O ALA A 112 -16.055 -26.050 -42.241 1.00 0.00 O ATOM 1695 CB ALA A 112 -14.116 -27.513 -40.629 1.00 0.00 C ATOM 0 H ALA A 112 -14.474 -28.355 -43.151 1.00 0.00 H new ATOM 0 HA ALA A 112 -15.811 -28.810 -40.547 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -14.402 -26.948 -39.742 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -13.422 -28.305 -40.347 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -13.634 -26.846 -41.344 1.00 0.00 H new ATOM 1701 N THR A 113 -17.614 -27.253 -41.153 1.00 0.00 N ATOM 1702 CA THR A 113 -18.683 -26.297 -41.411 1.00 0.00 C ATOM 1703 C THR A 113 -18.784 -25.265 -40.295 1.00 0.00 C ATOM 1704 O THR A 113 -18.389 -24.113 -40.468 1.00 0.00 O ATOM 1705 CB THR A 113 -20.018 -27.023 -41.580 1.00 0.00 C ATOM 1706 OG1 THR A 113 -19.920 -28.367 -41.142 1.00 0.00 O ATOM 1707 CG2 THR A 113 -20.497 -27.039 -43.013 1.00 0.00 C ATOM 0 H THR A 113 -17.899 -28.072 -40.616 1.00 0.00 H new ATOM 0 HA THR A 113 -18.445 -25.772 -42.336 1.00 0.00 H new ATOM 0 HB THR A 113 -20.734 -26.468 -40.974 1.00 0.00 H new ATOM 0 HG1 THR A 113 -20.785 -28.813 -41.257 1.00 0.00 H new ATOM 0 HG21 THR A 113 -21.449 -27.567 -43.073 1.00 0.00 H new ATOM 0 HG22 THR A 113 -20.628 -26.016 -43.364 1.00 0.00 H new ATOM 0 HG23 THR A 113 -19.761 -27.546 -43.637 1.00 0.00 H new ATOM 1715 N LYS A 114 -19.319 -25.676 -39.149 1.00 0.00 N ATOM 1716 CA LYS A 114 -19.463 -24.767 -38.020 1.00 0.00 C ATOM 1717 C LYS A 114 -19.255 -25.476 -36.693 1.00 0.00 C ATOM 1718 O LYS A 114 -18.572 -24.963 -35.809 1.00 0.00 O ATOM 1719 CB LYS A 114 -20.835 -24.090 -38.047 1.00 0.00 C ATOM 1720 CG LYS A 114 -21.996 -25.070 -38.094 1.00 0.00 C ATOM 1721 CD LYS A 114 -23.317 -24.356 -38.339 1.00 0.00 C ATOM 1722 CE LYS A 114 -23.607 -24.215 -39.825 1.00 0.00 C ATOM 1723 NZ LYS A 114 -22.710 -23.219 -40.473 1.00 0.00 N ATOM 0 H LYS A 114 -19.657 -26.623 -38.980 1.00 0.00 H new ATOM 0 HA LYS A 114 -18.688 -24.006 -38.115 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -20.938 -23.460 -37.163 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -20.890 -23.433 -38.915 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -21.824 -25.802 -38.884 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -22.047 -25.621 -37.155 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -24.125 -24.909 -37.860 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -23.289 -23.369 -37.877 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -23.487 -25.183 -40.312 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -24.645 -23.914 -39.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -23.158 -22.862 -41.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -22.540 -22.428 -39.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -21.804 -23.671 -40.712 1.00 0.00 H new ATOM 1737 N ALA A 115 -19.838 -26.655 -36.555 1.00 0.00 N ATOM 1738 CA ALA A 115 -19.694 -27.419 -35.327 1.00 0.00 C ATOM 1739 C ALA A 115 -18.344 -28.123 -35.290 1.00 0.00 C ATOM 1740 O ALA A 115 -17.826 -28.442 -34.220 1.00 0.00 O ATOM 1741 CB ALA A 115 -20.826 -28.427 -35.193 1.00 0.00 C ATOM 0 H ALA A 115 -20.411 -27.101 -37.271 1.00 0.00 H new ATOM 0 HA ALA A 115 -19.744 -26.730 -34.484 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -20.703 -28.991 -34.268 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -21.781 -27.901 -35.174 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -20.806 -29.112 -36.041 1.00 0.00 H new ATOM 1747 N GLU A 116 -17.779 -28.362 -36.469 1.00 0.00 N ATOM 1748 CA GLU A 116 -16.487 -29.027 -36.574 1.00 0.00 C ATOM 1749 C GLU A 116 -15.335 -28.035 -36.457 1.00 0.00 C ATOM 1750 O GLU A 116 -14.292 -28.352 -35.885 1.00 0.00 O ATOM 1751 CB GLU A 116 -16.384 -29.792 -37.895 1.00 0.00 C ATOM 1752 CG GLU A 116 -17.658 -30.527 -38.281 1.00 0.00 C ATOM 1753 CD GLU A 116 -17.833 -31.828 -37.523 1.00 0.00 C ATOM 1754 OE1 GLU A 116 -17.153 -32.815 -37.873 1.00 0.00 O ATOM 1755 OE2 GLU A 116 -18.650 -31.860 -36.579 1.00 0.00 O ATOM 0 H GLU A 116 -18.196 -28.105 -37.364 1.00 0.00 H new ATOM 0 HA GLU A 116 -16.413 -29.731 -35.745 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -16.125 -29.092 -38.690 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -15.568 -30.511 -37.825 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -18.516 -29.882 -38.092 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -17.644 -30.733 -39.351 1.00 0.00 H new ATOM 1762 N LEU A 117 -15.517 -26.837 -37.009 1.00 0.00 N ATOM 1763 CA LEU A 117 -14.470 -25.823 -36.960 1.00 0.00 C ATOM 1764 C LEU A 117 -14.449 -25.118 -35.611 1.00 0.00 C ATOM 1765 O LEU A 117 -13.434 -24.542 -35.222 1.00 0.00 O ATOM 1766 CB LEU A 117 -14.591 -24.846 -38.148 1.00 0.00 C ATOM 1767 CG LEU A 117 -15.298 -23.512 -37.922 1.00 0.00 C ATOM 1768 CD1 LEU A 117 -15.585 -22.881 -39.272 1.00 0.00 C ATOM 1769 CD2 LEU A 117 -16.580 -23.688 -37.135 1.00 0.00 C ATOM 0 H LEU A 117 -16.369 -26.548 -37.489 1.00 0.00 H new ATOM 0 HA LEU A 117 -13.504 -26.318 -37.062 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -13.584 -24.632 -38.505 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -15.111 -25.365 -38.953 1.00 0.00 H new ATOM 0 HG LEU A 117 -14.650 -22.861 -37.335 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -16.091 -21.926 -39.127 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -14.648 -22.718 -39.804 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -16.223 -23.545 -39.856 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -17.056 -22.718 -36.993 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -17.255 -24.347 -37.681 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -16.353 -24.126 -36.163 1.00 0.00 H new ATOM 1781 N ILE A 118 -15.555 -25.201 -34.875 1.00 0.00 N ATOM 1782 CA ILE A 118 -15.612 -24.603 -33.551 1.00 0.00 C ATOM 1783 C ILE A 118 -15.013 -25.559 -32.523 1.00 0.00 C ATOM 1784 O ILE A 118 -14.488 -25.133 -31.493 1.00 0.00 O ATOM 1785 CB ILE A 118 -17.052 -24.211 -33.139 1.00 0.00 C ATOM 1786 CG1 ILE A 118 -17.038 -23.491 -31.780 1.00 0.00 C ATOM 1787 CG2 ILE A 118 -17.984 -25.420 -33.110 1.00 0.00 C ATOM 1788 CD1 ILE A 118 -17.247 -24.400 -30.584 1.00 0.00 C ATOM 0 H ILE A 118 -16.411 -25.670 -35.171 1.00 0.00 H new ATOM 0 HA ILE A 118 -15.028 -23.683 -33.585 1.00 0.00 H new ATOM 0 HB ILE A 118 -17.442 -23.527 -33.893 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -16.084 -22.975 -31.666 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -17.815 -22.727 -31.780 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -18.984 -25.101 -32.816 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -18.024 -25.873 -34.101 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -17.610 -26.150 -32.392 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -17.222 -23.809 -29.669 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -18.213 -24.897 -30.669 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -16.456 -25.149 -30.553 1.00 0.00 H new ATOM 1800 N ALA A 119 -15.078 -26.857 -32.824 1.00 0.00 N ATOM 1801 CA ALA A 119 -14.525 -27.880 -31.946 1.00 0.00 C ATOM 1802 C ALA A 119 -13.049 -28.112 -32.249 1.00 0.00 C ATOM 1803 O ALA A 119 -12.254 -28.400 -31.355 1.00 0.00 O ATOM 1804 CB ALA A 119 -15.309 -29.177 -32.086 1.00 0.00 C ATOM 0 H ALA A 119 -15.510 -27.222 -33.673 1.00 0.00 H new ATOM 0 HA ALA A 119 -14.610 -27.532 -30.917 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -14.885 -29.932 -31.424 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -16.351 -29.003 -31.817 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -15.254 -29.526 -33.117 1.00 0.00 H new ATOM 1810 N LEU A 120 -12.697 -27.994 -33.529 1.00 0.00 N ATOM 1811 CA LEU A 120 -11.324 -28.199 -33.978 1.00 0.00 C ATOM 1812 C LEU A 120 -10.340 -27.368 -33.162 1.00 0.00 C ATOM 1813 O LEU A 120 -9.286 -27.858 -32.758 1.00 0.00 O ATOM 1814 CB LEU A 120 -11.193 -27.849 -35.461 1.00 0.00 C ATOM 1815 CG LEU A 120 -9.953 -28.416 -36.153 1.00 0.00 C ATOM 1816 CD1 LEU A 120 -10.018 -29.934 -36.202 1.00 0.00 C ATOM 1817 CD2 LEU A 120 -9.816 -27.840 -37.554 1.00 0.00 C ATOM 0 H LEU A 120 -13.350 -27.756 -34.276 1.00 0.00 H new ATOM 0 HA LEU A 120 -11.082 -29.252 -33.832 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -12.079 -28.210 -35.983 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -11.183 -26.764 -35.563 1.00 0.00 H new ATOM 0 HG LEU A 120 -9.074 -28.129 -35.576 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -9.128 -30.320 -36.698 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -10.069 -30.329 -35.187 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -10.905 -30.243 -36.756 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -8.928 -28.254 -38.032 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -10.698 -28.097 -38.141 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -9.723 -26.756 -37.494 1.00 0.00 H new ATOM 1829 N PHE A 121 -10.686 -26.107 -32.926 1.00 0.00 N ATOM 1830 CA PHE A 121 -9.823 -25.215 -32.160 1.00 0.00 C ATOM 1831 C PHE A 121 -9.480 -25.814 -30.796 1.00 0.00 C ATOM 1832 O PHE A 121 -8.467 -25.461 -30.192 1.00 0.00 O ATOM 1833 CB PHE A 121 -10.491 -23.854 -31.980 1.00 0.00 C ATOM 1834 CG PHE A 121 -10.082 -22.850 -33.015 1.00 0.00 C ATOM 1835 CD1 PHE A 121 -8.827 -22.264 -32.975 1.00 0.00 C ATOM 1836 CD2 PHE A 121 -10.954 -22.488 -34.027 1.00 0.00 C ATOM 1837 CE1 PHE A 121 -8.452 -21.337 -33.926 1.00 0.00 C ATOM 1838 CE2 PHE A 121 -10.585 -21.562 -34.978 1.00 0.00 C ATOM 1839 CZ PHE A 121 -9.332 -20.985 -34.928 1.00 0.00 C ATOM 0 H PHE A 121 -11.554 -25.681 -33.252 1.00 0.00 H new ATOM 0 HA PHE A 121 -8.896 -25.086 -32.719 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -11.573 -23.981 -32.015 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -10.247 -23.466 -30.991 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -8.135 -22.536 -32.191 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -11.935 -22.937 -34.072 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -7.471 -20.888 -33.886 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -11.275 -21.288 -35.762 1.00 0.00 H new ATOM 0 HZ PHE A 121 -9.041 -20.259 -35.673 1.00 0.00 H new