USER MOD reduce.3.24.130724 H: found=0, std=0, add=536, rem=0, adj=16 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 Set 1.1: A 40 SER OG : rot 171:sc= 0.389 USER MOD Set 1.2: A 44 GLN :FLIP amide:sc= 1.02 F(o=0.064,f=1.4) USER MOD Set 2.1: A 14 ASN : amide:sc= -0.0993 K(o=-1.1,f=-4.2!) USER MOD Set 2.2: A 32 ASN : amide:sc= -1.02 K(o=-1.1,f=-4.5!) USER MOD Single : A 7 THR OG1 : rot -21:sc= 0.802 USER MOD Single : A 9 CYS SG : rot 33:sc= 0.129 USER MOD Single : A 13 GLN : amide:sc= -0.289 X(o=-0.29,f=-0.031) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -68:sc= -0.469 USER MOD Single : A 41 GLN :FLIP amide:sc= -12.2! C(o=-17!,f=-12!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -0.155 K(o=-0.15,f=-1.3) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -0.238 X(o=-0.24,f=-0.052) USER MOD Single : A 91 THR OG1 : rot 180:sc= -0.0273 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0.0433 USER MOD Single : A 96 GLN : amide:sc= -2.67 K(o=-2.7,f=-9.7!) USER MOD Single : A 98 LYS NZ :NH3+ 145:sc= -2.38 (180deg=-5.24!) USER MOD Single : A 100 GLN : amide:sc=-0.00235 X(o=-0.0023,f=-0.065) USER MOD Single : A 102 THR OG1 : rot -93:sc= 1.18 USER MOD Single : A 107 THR OG1 : rot -46:sc= 0.938 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 113 THR OG1 : rot 180:sc= 0.0978 USER MOD Single : A 114 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.139) USER MOD ----------------------------------------------------------------- ATOM 90 N THR A 7 16.928 2.171 12.697 1.00 0.00 N ATOM 91 CA THR A 7 16.497 2.356 11.315 1.00 0.00 C ATOM 92 C THR A 7 16.461 1.022 10.576 1.00 0.00 C ATOM 93 O THR A 7 17.345 0.184 10.753 1.00 0.00 O ATOM 94 CB THR A 7 17.425 3.333 10.596 1.00 0.00 C ATOM 95 OG1 THR A 7 18.549 3.648 11.399 1.00 0.00 O ATOM 96 CG2 THR A 7 16.743 4.628 10.231 1.00 0.00 C ATOM 0 HA THR A 7 15.489 2.771 11.324 1.00 0.00 H new ATOM 0 HB THR A 7 17.731 2.826 9.681 1.00 0.00 H new ATOM 0 HG1 THR A 7 18.345 3.453 12.338 1.00 0.00 H new ATOM 0 HG21 THR A 7 17.452 5.282 9.723 1.00 0.00 H new ATOM 0 HG22 THR A 7 15.901 4.422 9.570 1.00 0.00 H new ATOM 0 HG23 THR A 7 16.383 5.117 11.136 1.00 0.00 H new ATOM 104 N PHE A 8 15.434 0.823 9.753 1.00 0.00 N ATOM 105 CA PHE A 8 15.303 -0.424 9.005 1.00 0.00 C ATOM 106 C PHE A 8 14.700 -0.232 7.618 1.00 0.00 C ATOM 107 O PHE A 8 13.708 0.474 7.442 1.00 0.00 O ATOM 108 CB PHE A 8 14.455 -1.436 9.779 1.00 0.00 C ATOM 109 CG PHE A 8 13.156 -0.899 10.330 1.00 0.00 C ATOM 110 CD1 PHE A 8 12.634 0.323 9.918 1.00 0.00 C ATOM 111 CD2 PHE A 8 12.450 -1.638 11.266 1.00 0.00 C ATOM 112 CE1 PHE A 8 11.440 0.789 10.433 1.00 0.00 C ATOM 113 CE2 PHE A 8 11.255 -1.175 11.782 1.00 0.00 C ATOM 114 CZ PHE A 8 10.750 0.039 11.365 1.00 0.00 C ATOM 0 H PHE A 8 14.689 1.500 9.588 1.00 0.00 H new ATOM 0 HA PHE A 8 16.318 -0.800 8.877 1.00 0.00 H new ATOM 0 HB2 PHE A 8 14.232 -2.277 9.122 1.00 0.00 H new ATOM 0 HB3 PHE A 8 15.048 -1.826 10.606 1.00 0.00 H new ATOM 0 HD1 PHE A 8 13.168 0.913 9.188 1.00 0.00 H new ATOM 0 HD2 PHE A 8 12.840 -2.589 11.597 1.00 0.00 H new ATOM 0 HE1 PHE A 8 11.046 1.740 10.107 1.00 0.00 H new ATOM 0 HE2 PHE A 8 10.717 -1.763 12.511 1.00 0.00 H new ATOM 0 HZ PHE A 8 9.816 0.403 11.767 1.00 0.00 H new ATOM 124 N CYS A 9 15.278 -0.912 6.638 1.00 0.00 N ATOM 125 CA CYS A 9 14.767 -0.859 5.280 1.00 0.00 C ATOM 126 C CYS A 9 13.700 -1.940 5.122 1.00 0.00 C ATOM 127 O CYS A 9 13.956 -3.112 5.398 1.00 0.00 O ATOM 128 CB CYS A 9 15.893 -1.073 4.267 1.00 0.00 C ATOM 129 SG CYS A 9 16.849 -2.584 4.534 1.00 0.00 S ATOM 0 H CYS A 9 16.099 -1.505 6.760 1.00 0.00 H new ATOM 0 HA CYS A 9 14.334 0.124 5.092 1.00 0.00 H new ATOM 0 HB2 CYS A 9 15.465 -1.099 3.265 1.00 0.00 H new ATOM 0 HB3 CYS A 9 16.568 -0.218 4.304 1.00 0.00 H new ATOM 0 HG CYS A 9 16.075 -3.506 5.024 1.00 0.00 H new ATOM 135 N VAL A 10 12.500 -1.550 4.706 1.00 0.00 N ATOM 136 CA VAL A 10 11.411 -2.509 4.555 1.00 0.00 C ATOM 137 C VAL A 10 11.070 -2.734 3.092 1.00 0.00 C ATOM 138 O VAL A 10 11.355 -1.901 2.246 1.00 0.00 O ATOM 139 CB VAL A 10 10.146 -2.042 5.323 1.00 0.00 C ATOM 140 CG1 VAL A 10 9.031 -1.574 4.387 1.00 0.00 C ATOM 141 CG2 VAL A 10 9.648 -3.152 6.231 1.00 0.00 C ATOM 0 H VAL A 10 12.258 -0.588 4.470 1.00 0.00 H new ATOM 0 HA VAL A 10 11.753 -3.453 4.980 1.00 0.00 H new ATOM 0 HB VAL A 10 10.433 -1.181 5.927 1.00 0.00 H new ATOM 0 HG11 VAL A 10 8.170 -1.258 4.976 1.00 0.00 H new ATOM 0 HG12 VAL A 10 9.387 -0.736 3.787 1.00 0.00 H new ATOM 0 HG13 VAL A 10 8.740 -2.393 3.729 1.00 0.00 H new ATOM 0 HG21 VAL A 10 8.760 -2.814 6.765 1.00 0.00 H new ATOM 0 HG22 VAL A 10 9.400 -4.028 5.632 1.00 0.00 H new ATOM 0 HG23 VAL A 10 10.426 -3.412 6.949 1.00 0.00 H new ATOM 151 N VAL A 11 10.455 -3.865 2.802 1.00 0.00 N ATOM 152 CA VAL A 11 10.073 -4.188 1.444 1.00 0.00 C ATOM 153 C VAL A 11 8.684 -4.815 1.414 1.00 0.00 C ATOM 154 O VAL A 11 8.487 -5.946 1.858 1.00 0.00 O ATOM 155 CB VAL A 11 11.112 -5.116 0.798 1.00 0.00 C ATOM 156 CG1 VAL A 11 11.555 -6.180 1.783 1.00 0.00 C ATOM 157 CG2 VAL A 11 10.588 -5.738 -0.491 1.00 0.00 C ATOM 0 H VAL A 11 10.210 -4.576 3.491 1.00 0.00 H new ATOM 0 HA VAL A 11 10.039 -3.266 0.864 1.00 0.00 H new ATOM 0 HB VAL A 11 11.980 -4.513 0.530 1.00 0.00 H new ATOM 0 HG11 VAL A 11 12.291 -6.830 1.310 1.00 0.00 H new ATOM 0 HG12 VAL A 11 11.999 -5.704 2.657 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.693 -6.772 2.091 1.00 0.00 H new ATOM 0 HG21 VAL A 11 11.352 -6.388 -0.918 1.00 0.00 H new ATOM 0 HG22 VAL A 11 9.693 -6.322 -0.276 1.00 0.00 H new ATOM 0 HG23 VAL A 11 10.344 -4.949 -1.202 1.00 0.00 H new ATOM 167 N VAL A 12 7.723 -4.056 0.901 1.00 0.00 N ATOM 168 CA VAL A 12 6.342 -4.510 0.823 1.00 0.00 C ATOM 169 C VAL A 12 6.054 -5.172 -0.518 1.00 0.00 C ATOM 170 O VAL A 12 6.449 -4.666 -1.568 1.00 0.00 O ATOM 171 CB VAL A 12 5.360 -3.337 1.012 1.00 0.00 C ATOM 172 CG1 VAL A 12 3.997 -3.853 1.428 1.00 0.00 C ATOM 173 CG2 VAL A 12 5.893 -2.341 2.031 1.00 0.00 C ATOM 0 H VAL A 12 7.877 -3.118 0.531 1.00 0.00 H new ATOM 0 HA VAL A 12 6.203 -5.236 1.624 1.00 0.00 H new ATOM 0 HB VAL A 12 5.258 -2.819 0.059 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.314 -3.013 1.558 1.00 0.00 H new ATOM 0 HG12 VAL A 12 3.610 -4.520 0.658 1.00 0.00 H new ATOM 0 HG13 VAL A 12 4.085 -4.397 2.368 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.182 -1.523 2.146 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.031 -2.840 2.990 1.00 0.00 H new ATOM 0 HG23 VAL A 12 6.849 -1.945 1.688 1.00 0.00 H new ATOM 183 N GLN A 13 5.359 -6.302 -0.474 1.00 0.00 N ATOM 184 CA GLN A 13 5.011 -7.034 -1.686 1.00 0.00 C ATOM 185 C GLN A 13 3.498 -7.085 -1.871 1.00 0.00 C ATOM 186 O GLN A 13 2.788 -7.711 -1.085 1.00 0.00 O ATOM 187 CB GLN A 13 5.578 -8.453 -1.629 1.00 0.00 C ATOM 188 CG GLN A 13 6.099 -8.953 -2.966 1.00 0.00 C ATOM 189 CD GLN A 13 7.126 -10.057 -2.815 1.00 0.00 C ATOM 190 OE1 GLN A 13 6.984 -11.137 -3.389 1.00 0.00 O ATOM 191 NE2 GLN A 13 8.169 -9.792 -2.036 1.00 0.00 N ATOM 0 H GLN A 13 5.025 -6.732 0.389 1.00 0.00 H new ATOM 0 HA GLN A 13 5.447 -6.511 -2.537 1.00 0.00 H new ATOM 0 HB2 GLN A 13 6.387 -8.483 -0.899 1.00 0.00 H new ATOM 0 HB3 GLN A 13 4.802 -9.131 -1.274 1.00 0.00 H new ATOM 0 HG2 GLN A 13 5.264 -9.318 -3.564 1.00 0.00 H new ATOM 0 HG3 GLN A 13 6.543 -8.121 -3.513 1.00 0.00 H new ATOM 0 HE21 GLN A 13 8.247 -8.883 -1.579 1.00 0.00 H new ATOM 0 HE22 GLN A 13 8.892 -10.497 -1.894 1.00 0.00 H new ATOM 200 N ASN A 14 3.009 -6.421 -2.914 1.00 0.00 N ATOM 201 CA ASN A 14 1.577 -6.394 -3.196 1.00 0.00 C ATOM 202 C ASN A 14 1.206 -7.447 -4.232 1.00 0.00 C ATOM 203 O ASN A 14 1.901 -7.626 -5.232 1.00 0.00 O ATOM 204 CB ASN A 14 1.136 -5.012 -3.696 1.00 0.00 C ATOM 205 CG ASN A 14 2.128 -3.915 -3.364 1.00 0.00 C ATOM 206 OD1 ASN A 14 2.237 -3.483 -2.216 1.00 0.00 O ATOM 207 ND2 ASN A 14 2.860 -3.459 -4.373 1.00 0.00 N ATOM 0 H ASN A 14 3.581 -5.896 -3.576 1.00 0.00 H new ATOM 0 HA ASN A 14 1.060 -6.613 -2.262 1.00 0.00 H new ATOM 0 HB2 ASN A 14 0.995 -5.051 -4.776 1.00 0.00 H new ATOM 0 HB3 ASN A 14 0.170 -4.765 -3.257 1.00 0.00 H new ATOM 0 HD21 ASN A 14 3.546 -2.721 -4.213 1.00 0.00 H new ATOM 0 HD22 ASN A 14 2.736 -3.846 -5.309 1.00 0.00 H new ATOM 482 N ASP A 31 7.338 -5.585 -5.544 1.00 0.00 N ATOM 483 CA ASP A 31 7.928 -5.347 -4.230 1.00 0.00 C ATOM 484 C ASP A 31 8.536 -3.952 -4.150 1.00 0.00 C ATOM 485 O ASP A 31 9.345 -3.568 -4.995 1.00 0.00 O ATOM 486 CB ASP A 31 8.996 -6.399 -3.922 1.00 0.00 C ATOM 487 CG ASP A 31 9.880 -6.697 -5.117 1.00 0.00 C ATOM 488 OD1 ASP A 31 9.349 -7.160 -6.148 1.00 0.00 O ATOM 489 OD2 ASP A 31 11.105 -6.468 -5.021 1.00 0.00 O ATOM 0 HA ASP A 31 7.133 -5.422 -3.488 1.00 0.00 H new ATOM 0 HB2 ASP A 31 9.615 -6.052 -3.094 1.00 0.00 H new ATOM 0 HB3 ASP A 31 8.511 -7.319 -3.594 1.00 0.00 H new ATOM 494 N ASN A 32 8.140 -3.196 -3.131 1.00 0.00 N ATOM 495 CA ASN A 32 8.649 -1.842 -2.942 1.00 0.00 C ATOM 496 C ASN A 32 9.472 -1.745 -1.660 1.00 0.00 C ATOM 497 O ASN A 32 8.984 -2.062 -0.577 1.00 0.00 O ATOM 498 CB ASN A 32 7.492 -0.842 -2.894 1.00 0.00 C ATOM 499 CG ASN A 32 6.437 -1.231 -1.878 1.00 0.00 C ATOM 500 OD1 ASN A 32 6.581 -0.970 -0.684 1.00 0.00 O ATOM 501 ND2 ASN A 32 5.366 -1.859 -2.350 1.00 0.00 N ATOM 0 H ASN A 32 7.469 -3.497 -2.424 1.00 0.00 H new ATOM 0 HA ASN A 32 9.294 -1.602 -3.787 1.00 0.00 H new ATOM 0 HB2 ASN A 32 7.880 0.147 -2.651 1.00 0.00 H new ATOM 0 HB3 ASN A 32 7.034 -0.772 -3.881 1.00 0.00 H new ATOM 0 HD21 ASN A 32 4.621 -2.145 -1.715 1.00 0.00 H new ATOM 0 HD22 ASN A 32 5.288 -2.055 -3.348 1.00 0.00 H new ATOM 508 N SER A 33 10.723 -1.309 -1.793 1.00 0.00 N ATOM 509 CA SER A 33 11.609 -1.179 -0.642 1.00 0.00 C ATOM 510 C SER A 33 11.461 0.178 0.029 1.00 0.00 C ATOM 511 O SER A 33 11.225 1.194 -0.626 1.00 0.00 O ATOM 512 CB SER A 33 13.068 -1.382 -1.040 1.00 0.00 C ATOM 513 OG SER A 33 13.268 -2.656 -1.629 1.00 0.00 O ATOM 0 H SER A 33 11.143 -1.041 -2.683 1.00 0.00 H new ATOM 0 HA SER A 33 11.317 -1.956 0.064 1.00 0.00 H new ATOM 0 HB2 SER A 33 13.368 -0.603 -1.742 1.00 0.00 H new ATOM 0 HB3 SER A 33 13.705 -1.281 -0.161 1.00 0.00 H new ATOM 0 HG SER A 33 14.211 -2.758 -1.876 1.00 0.00 H new ATOM 519 N LEU A 34 11.609 0.174 1.343 1.00 0.00 N ATOM 520 CA LEU A 34 11.507 1.383 2.143 1.00 0.00 C ATOM 521 C LEU A 34 12.856 1.697 2.787 1.00 0.00 C ATOM 522 O LEU A 34 13.547 0.797 3.262 1.00 0.00 O ATOM 523 CB LEU A 34 10.416 1.194 3.214 1.00 0.00 C ATOM 524 CG LEU A 34 10.356 2.228 4.330 1.00 0.00 C ATOM 525 CD1 LEU A 34 11.266 1.789 5.463 1.00 0.00 C ATOM 526 CD2 LEU A 34 10.714 3.624 3.834 1.00 0.00 C ATOM 0 H LEU A 34 11.803 -0.668 1.885 1.00 0.00 H new ATOM 0 HA LEU A 34 11.232 2.224 1.507 1.00 0.00 H new ATOM 0 HB2 LEU A 34 9.448 1.180 2.713 1.00 0.00 H new ATOM 0 HB3 LEU A 34 10.554 0.213 3.668 1.00 0.00 H new ATOM 0 HG LEU A 34 9.331 2.289 4.696 1.00 0.00 H new ATOM 0 HD11 LEU A 34 11.228 2.525 6.266 1.00 0.00 H new ATOM 0 HD12 LEU A 34 10.935 0.822 5.841 1.00 0.00 H new ATOM 0 HD13 LEU A 34 12.289 1.705 5.096 1.00 0.00 H new ATOM 0 HD21 LEU A 34 10.658 4.330 4.663 1.00 0.00 H new ATOM 0 HD22 LEU A 34 11.726 3.618 3.430 1.00 0.00 H new ATOM 0 HD23 LEU A 34 10.014 3.924 3.054 1.00 0.00 H new ATOM 538 N ALA A 35 13.223 2.973 2.806 1.00 0.00 N ATOM 539 CA ALA A 35 14.476 3.402 3.396 1.00 0.00 C ATOM 540 C ALA A 35 14.411 3.270 4.906 1.00 0.00 C ATOM 541 O ALA A 35 13.335 3.252 5.489 1.00 0.00 O ATOM 542 CB ALA A 35 14.790 4.832 3.002 1.00 0.00 C ATOM 0 H ALA A 35 12.663 3.730 2.415 1.00 0.00 H new ATOM 0 HA ALA A 35 15.275 2.762 3.021 1.00 0.00 H new ATOM 0 HB1 ALA A 35 15.734 5.135 3.455 1.00 0.00 H new ATOM 0 HB2 ALA A 35 14.869 4.902 1.917 1.00 0.00 H new ATOM 0 HB3 ALA A 35 13.993 5.489 3.351 1.00 0.00 H new ATOM 548 N ALA A 36 15.559 3.153 5.532 1.00 0.00 N ATOM 549 CA ALA A 36 15.607 2.979 6.976 1.00 0.00 C ATOM 550 C ALA A 36 15.205 4.254 7.702 1.00 0.00 C ATOM 551 O ALA A 36 15.858 5.292 7.586 1.00 0.00 O ATOM 552 CB ALA A 36 16.998 2.538 7.401 1.00 0.00 C ATOM 0 H ALA A 36 16.470 3.174 5.073 1.00 0.00 H new ATOM 0 HA ALA A 36 14.890 2.205 7.249 1.00 0.00 H new ATOM 0 HB1 ALA A 36 17.024 2.410 8.483 1.00 0.00 H new ATOM 0 HB2 ALA A 36 17.243 1.592 6.918 1.00 0.00 H new ATOM 0 HB3 ALA A 36 17.725 3.295 7.107 1.00 0.00 H new ATOM 558 N VAL A 37 14.101 4.155 8.444 1.00 0.00 N ATOM 559 CA VAL A 37 13.565 5.282 9.199 1.00 0.00 C ATOM 560 C VAL A 37 13.281 4.881 10.648 1.00 0.00 C ATOM 561 O VAL A 37 13.637 3.787 11.079 1.00 0.00 O ATOM 562 CB VAL A 37 12.268 5.835 8.546 1.00 0.00 C ATOM 563 CG1 VAL A 37 12.284 5.623 7.040 1.00 0.00 C ATOM 564 CG2 VAL A 37 11.024 5.193 9.149 1.00 0.00 C ATOM 0 H VAL A 37 13.558 3.296 8.537 1.00 0.00 H new ATOM 0 HA VAL A 37 14.321 6.068 9.188 1.00 0.00 H new ATOM 0 HB VAL A 37 12.234 6.905 8.750 1.00 0.00 H new ATOM 0 HG11 VAL A 37 11.365 6.019 6.607 1.00 0.00 H new ATOM 0 HG12 VAL A 37 13.141 6.141 6.609 1.00 0.00 H new ATOM 0 HG13 VAL A 37 12.357 4.557 6.823 1.00 0.00 H new ATOM 0 HG21 VAL A 37 10.135 5.602 8.670 1.00 0.00 H new ATOM 0 HG22 VAL A 37 11.058 4.115 8.991 1.00 0.00 H new ATOM 0 HG23 VAL A 37 10.989 5.402 10.218 1.00 0.00 H new ATOM 574 N SER A 38 12.631 5.772 11.392 1.00 0.00 N ATOM 575 CA SER A 38 12.299 5.505 12.787 1.00 0.00 C ATOM 576 C SER A 38 11.411 4.268 12.916 1.00 0.00 C ATOM 577 O SER A 38 11.772 3.305 13.592 1.00 0.00 O ATOM 578 CB SER A 38 11.596 6.715 13.405 1.00 0.00 C ATOM 579 OG SER A 38 10.249 6.798 12.974 1.00 0.00 O ATOM 0 H SER A 38 12.324 6.684 11.052 1.00 0.00 H new ATOM 0 HA SER A 38 13.229 5.317 13.323 1.00 0.00 H new ATOM 0 HB2 SER A 38 11.629 6.643 14.492 1.00 0.00 H new ATOM 0 HB3 SER A 38 12.126 7.627 13.130 1.00 0.00 H new ATOM 0 HG SER A 38 10.224 7.014 12.019 1.00 0.00 H new ATOM 585 N GLU A 39 10.252 4.303 12.265 1.00 0.00 N ATOM 586 CA GLU A 39 9.312 3.181 12.312 1.00 0.00 C ATOM 587 C GLU A 39 8.050 3.453 11.490 1.00 0.00 C ATOM 588 O GLU A 39 7.305 2.527 11.171 1.00 0.00 O ATOM 589 CB GLU A 39 8.926 2.872 13.760 1.00 0.00 C ATOM 590 CG GLU A 39 8.755 1.388 14.038 1.00 0.00 C ATOM 591 CD GLU A 39 7.782 1.114 15.168 1.00 0.00 C ATOM 592 OE1 GLU A 39 8.201 1.181 16.342 1.00 0.00 O ATOM 593 OE2 GLU A 39 6.600 0.833 14.878 1.00 0.00 O ATOM 0 H GLU A 39 9.939 5.092 11.700 1.00 0.00 H new ATOM 0 HA GLU A 39 9.817 2.320 11.874 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.691 3.272 14.425 1.00 0.00 H new ATOM 0 HB3 GLU A 39 7.996 3.388 13.998 1.00 0.00 H new ATOM 0 HG2 GLU A 39 8.405 0.891 13.133 1.00 0.00 H new ATOM 0 HG3 GLU A 39 9.724 0.955 14.285 1.00 0.00 H new ATOM 600 N SER A 40 7.808 4.721 11.158 1.00 0.00 N ATOM 601 CA SER A 40 6.630 5.107 10.382 1.00 0.00 C ATOM 602 C SER A 40 6.366 4.139 9.228 1.00 0.00 C ATOM 603 O SER A 40 5.215 3.877 8.884 1.00 0.00 O ATOM 604 CB SER A 40 6.801 6.527 9.839 1.00 0.00 C ATOM 605 OG SER A 40 5.839 6.809 8.837 1.00 0.00 O ATOM 0 H SER A 40 8.414 5.500 11.415 1.00 0.00 H new ATOM 0 HA SER A 40 5.770 5.071 11.051 1.00 0.00 H new ATOM 0 HB2 SER A 40 6.704 7.245 10.653 1.00 0.00 H new ATOM 0 HB3 SER A 40 7.804 6.644 9.428 1.00 0.00 H new ATOM 0 HG SER A 40 5.873 7.762 8.609 1.00 0.00 H new ATOM 611 N GLN A 41 7.433 3.612 8.634 1.00 0.00 N ATOM 612 CA GLN A 41 7.301 2.677 7.519 1.00 0.00 C ATOM 613 C GLN A 41 6.498 1.447 7.919 1.00 0.00 C ATOM 614 O GLN A 41 5.584 1.031 7.207 1.00 0.00 O ATOM 615 CB GLN A 41 8.677 2.251 7.007 1.00 0.00 C ATOM 616 CG GLN A 41 9.519 1.481 8.017 1.00 0.00 C ATOM 617 CD GLN A 41 9.216 -0.013 8.076 1.00 0.00 C ATOM 618 OE1 GLN A 41 8.362 -0.510 7.181 1.00 0.00 O flip ATOM 619 NE2 GLN A 41 9.750 -0.719 8.930 1.00 0.00 N flip ATOM 0 H GLN A 41 8.395 3.815 8.904 1.00 0.00 H new ATOM 0 HA GLN A 41 6.766 3.193 6.721 1.00 0.00 H new ATOM 0 HB2 GLN A 41 8.544 1.634 6.118 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.227 3.140 6.698 1.00 0.00 H new ATOM 0 HG2 GLN A 41 10.573 1.617 7.773 1.00 0.00 H new ATOM 0 HG3 GLN A 41 9.363 1.911 9.006 1.00 0.00 H new ATOM 0 HE21 GLN A 41 10.399 -0.306 9.600 1.00 0.00 H new ATOM 0 HE22 GLN A 41 9.544 -1.717 8.968 1.00 0.00 H new ATOM 628 N LEU A 42 6.860 0.859 9.050 1.00 0.00 N ATOM 629 CA LEU A 42 6.189 -0.340 9.536 1.00 0.00 C ATOM 630 C LEU A 42 4.689 -0.121 9.671 1.00 0.00 C ATOM 631 O LEU A 42 3.889 -0.922 9.188 1.00 0.00 O ATOM 632 CB LEU A 42 6.777 -0.768 10.883 1.00 0.00 C ATOM 633 CG LEU A 42 6.120 -1.995 11.516 1.00 0.00 C ATOM 634 CD1 LEU A 42 6.743 -3.273 10.976 1.00 0.00 C ATOM 635 CD2 LEU A 42 6.238 -1.940 13.031 1.00 0.00 C ATOM 0 H LEU A 42 7.615 1.192 9.649 1.00 0.00 H new ATOM 0 HA LEU A 42 6.352 -1.131 8.804 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.839 -0.972 10.750 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.697 0.067 11.579 1.00 0.00 H new ATOM 0 HG LEU A 42 5.062 -1.993 11.254 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.263 -4.135 11.438 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.605 -3.317 9.896 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.808 -3.284 11.207 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.765 -2.821 13.465 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.291 -1.917 13.313 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.743 -1.043 13.402 1.00 0.00 H new ATOM 647 N ALA A 43 4.311 0.961 10.335 1.00 0.00 N ATOM 648 CA ALA A 43 2.906 1.273 10.537 1.00 0.00 C ATOM 649 C ALA A 43 2.278 1.855 9.277 1.00 0.00 C ATOM 650 O ALA A 43 1.085 1.679 9.034 1.00 0.00 O ATOM 651 CB ALA A 43 2.746 2.230 11.702 1.00 0.00 C ATOM 0 H ALA A 43 4.958 1.637 10.742 1.00 0.00 H new ATOM 0 HA ALA A 43 2.384 0.344 10.767 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.689 2.457 11.844 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.144 1.771 12.607 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.290 3.151 11.493 1.00 0.00 H new ATOM 657 N GLN A 44 3.083 2.542 8.470 1.00 0.00 N ATOM 658 CA GLN A 44 2.587 3.133 7.234 1.00 0.00 C ATOM 659 C GLN A 44 2.002 2.053 6.334 1.00 0.00 C ATOM 660 O GLN A 44 0.907 2.201 5.792 1.00 0.00 O ATOM 661 CB GLN A 44 3.711 3.872 6.503 1.00 0.00 C ATOM 662 CG GLN A 44 3.754 5.363 6.798 1.00 0.00 C ATOM 663 CD GLN A 44 4.525 6.141 5.750 1.00 0.00 C ATOM 664 OE1 GLN A 44 4.135 5.982 4.490 1.00 0.00 O flip ATOM 665 NE2 GLN A 44 5.459 6.877 6.068 1.00 0.00 N flip ATOM 0 H GLN A 44 4.074 2.701 8.649 1.00 0.00 H new ATOM 0 HA GLN A 44 1.804 3.850 7.484 1.00 0.00 H new ATOM 0 HB2 GLN A 44 4.667 3.428 6.781 1.00 0.00 H new ATOM 0 HB3 GLN A 44 3.592 3.726 5.429 1.00 0.00 H new ATOM 0 HG2 GLN A 44 2.736 5.748 6.855 1.00 0.00 H new ATOM 0 HG3 GLN A 44 4.211 5.524 7.774 1.00 0.00 H new ATOM 0 HE21 GLN A 44 5.725 6.969 7.048 1.00 0.00 H new ATOM 0 HE22 GLN A 44 5.967 7.395 5.351 1.00 0.00 H new ATOM 674 N LEU A 45 2.742 0.960 6.191 1.00 0.00 N ATOM 675 CA LEU A 45 2.309 -0.161 5.370 1.00 0.00 C ATOM 676 C LEU A 45 1.290 -1.013 6.116 1.00 0.00 C ATOM 677 O LEU A 45 0.236 -1.356 5.580 1.00 0.00 O ATOM 678 CB LEU A 45 3.514 -1.013 4.971 1.00 0.00 C ATOM 679 CG LEU A 45 4.793 -0.223 4.693 1.00 0.00 C ATOM 680 CD1 LEU A 45 6.007 -1.137 4.720 1.00 0.00 C ATOM 681 CD2 LEU A 45 4.692 0.506 3.363 1.00 0.00 C ATOM 0 H LEU A 45 3.650 0.827 6.636 1.00 0.00 H new ATOM 0 HA LEU A 45 1.836 0.232 4.470 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.713 -1.731 5.766 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.257 -1.587 4.080 1.00 0.00 H new ATOM 0 HG LEU A 45 4.915 0.521 5.480 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.906 -0.554 4.520 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.089 -1.604 5.701 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.898 -1.909 3.958 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.612 1.063 3.182 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.543 -0.218 2.562 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.849 1.197 3.390 1.00 0.00 H new ATOM 692 N LYS A 46 1.615 -1.346 7.360 1.00 0.00 N ATOM 693 CA LYS A 46 0.733 -2.157 8.194 1.00 0.00 C ATOM 694 C LYS A 46 -0.581 -1.433 8.479 1.00 0.00 C ATOM 695 O LYS A 46 -1.560 -2.052 8.898 1.00 0.00 O ATOM 696 CB LYS A 46 1.425 -2.512 9.512 1.00 0.00 C ATOM 697 CG LYS A 46 0.884 -3.775 10.162 1.00 0.00 C ATOM 698 CD LYS A 46 1.902 -4.399 11.104 1.00 0.00 C ATOM 699 CE LYS A 46 2.566 -5.619 10.483 1.00 0.00 C ATOM 700 NZ LYS A 46 2.120 -6.883 11.131 1.00 0.00 N ATOM 0 H LYS A 46 2.484 -1.067 7.815 1.00 0.00 H new ATOM 0 HA LYS A 46 0.508 -3.073 7.647 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.493 -2.635 9.330 1.00 0.00 H new ATOM 0 HB3 LYS A 46 1.314 -1.680 10.207 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -0.027 -3.540 10.713 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.613 -4.495 9.390 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.662 -3.661 11.360 1.00 0.00 H new ATOM 0 HD3 LYS A 46 1.410 -4.685 12.034 1.00 0.00 H new ATOM 0 HE2 LYS A 46 2.335 -5.656 9.418 1.00 0.00 H new ATOM 0 HE3 LYS A 46 3.649 -5.528 10.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 2.595 -7.691 10.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 2.363 -6.859 12.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 1.090 -6.983 11.025 1.00 0.00 H new ATOM 714 N ALA A 47 -0.599 -0.120 8.255 1.00 0.00 N ATOM 715 CA ALA A 47 -1.794 0.685 8.492 1.00 0.00 C ATOM 716 C ALA A 47 -3.038 0.024 7.905 1.00 0.00 C ATOM 717 O ALA A 47 -4.100 0.012 8.529 1.00 0.00 O ATOM 718 CB ALA A 47 -1.612 2.081 7.913 1.00 0.00 C ATOM 0 H ALA A 47 0.202 0.409 7.909 1.00 0.00 H new ATOM 0 HA ALA A 47 -1.937 0.763 9.570 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.510 2.671 8.096 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.758 2.563 8.388 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.438 2.010 6.839 1.00 0.00 H new ATOM 724 N ASP A 48 -2.900 -0.524 6.702 1.00 0.00 N ATOM 725 CA ASP A 48 -4.013 -1.188 6.034 1.00 0.00 C ATOM 726 C ASP A 48 -3.889 -2.705 6.150 1.00 0.00 C ATOM 727 O ASP A 48 -2.897 -3.289 5.714 1.00 0.00 O ATOM 728 CB ASP A 48 -4.067 -0.778 4.562 1.00 0.00 C ATOM 729 CG ASP A 48 -5.484 -0.526 4.082 1.00 0.00 C ATOM 730 OD1 ASP A 48 -6.124 0.417 4.596 1.00 0.00 O ATOM 731 OD2 ASP A 48 -5.952 -1.269 3.195 1.00 0.00 O ATOM 0 H ASP A 48 -2.029 -0.521 6.171 1.00 0.00 H new ATOM 0 HA ASP A 48 -4.937 -0.879 6.523 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.472 0.124 4.417 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.614 -1.560 3.953 1.00 0.00 H new ATOM 736 N PRO A 49 -4.898 -3.371 6.742 1.00 0.00 N ATOM 737 CA PRO A 49 -4.891 -4.826 6.910 1.00 0.00 C ATOM 738 C PRO A 49 -5.190 -5.560 5.608 1.00 0.00 C ATOM 739 O PRO A 49 -6.190 -6.271 5.499 1.00 0.00 O ATOM 740 CB PRO A 49 -6.003 -5.060 7.929 1.00 0.00 C ATOM 741 CG PRO A 49 -6.959 -3.943 7.699 1.00 0.00 C ATOM 742 CD PRO A 49 -6.124 -2.759 7.294 1.00 0.00 C ATOM 0 HA PRO A 49 -3.918 -5.201 7.226 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -6.481 -6.028 7.780 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -5.617 -5.048 8.948 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -7.677 -4.198 6.920 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -7.531 -3.727 8.601 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -6.634 -2.144 6.553 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -5.902 -2.115 8.145 1.00 0.00 H new ATOM 750 N ARG A 50 -4.319 -5.384 4.620 1.00 0.00 N ATOM 751 CA ARG A 50 -4.493 -6.030 3.325 1.00 0.00 C ATOM 752 C ARG A 50 -3.149 -6.422 2.723 1.00 0.00 C ATOM 753 O ARG A 50 -2.982 -7.537 2.229 1.00 0.00 O ATOM 754 CB ARG A 50 -5.244 -5.103 2.366 1.00 0.00 C ATOM 755 CG ARG A 50 -5.933 -5.839 1.227 1.00 0.00 C ATOM 756 CD ARG A 50 -7.426 -5.553 1.196 1.00 0.00 C ATOM 757 NE ARG A 50 -8.205 -6.650 1.765 1.00 0.00 N ATOM 758 CZ ARG A 50 -8.492 -7.774 1.110 1.00 0.00 C ATOM 759 NH1 ARG A 50 -8.066 -7.951 -0.135 1.00 0.00 N ATOM 760 NH2 ARG A 50 -9.206 -8.721 1.701 1.00 0.00 N ATOM 0 H ARG A 50 -3.486 -4.800 4.692 1.00 0.00 H new ATOM 0 HA ARG A 50 -5.078 -6.937 3.477 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -5.989 -4.539 2.927 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -4.543 -4.379 1.949 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -5.486 -5.542 0.278 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -5.770 -6.911 1.335 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -7.631 -4.637 1.750 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -7.741 -5.380 0.167 1.00 0.00 H new ATOM 0 HE ARG A 50 -8.549 -6.549 2.720 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -7.516 -7.225 -0.594 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -8.288 -8.813 -0.632 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -9.536 -8.589 2.657 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -9.426 -9.582 1.200 1.00 0.00 H new ATOM 774 N LEU A 51 -2.192 -5.498 2.762 1.00 0.00 N ATOM 775 CA LEU A 51 -0.866 -5.754 2.214 1.00 0.00 C ATOM 776 C LEU A 51 0.078 -6.294 3.284 1.00 0.00 C ATOM 777 O LEU A 51 0.001 -5.908 4.451 1.00 0.00 O ATOM 778 CB LEU A 51 -0.289 -4.479 1.598 1.00 0.00 C ATOM 779 CG LEU A 51 -0.915 -4.071 0.262 1.00 0.00 C ATOM 780 CD1 LEU A 51 -0.598 -2.619 -0.057 1.00 0.00 C ATOM 781 CD2 LEU A 51 -0.428 -4.982 -0.853 1.00 0.00 C ATOM 0 H LEU A 51 -2.311 -4.569 3.166 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.966 -6.511 1.436 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.415 -3.661 2.307 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.783 -4.615 1.455 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.997 -4.174 0.344 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.052 -2.348 -1.010 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.997 -1.978 0.729 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.482 -2.488 -0.119 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.883 -4.678 -1.796 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.657 -4.911 -0.934 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.708 -6.012 -0.630 1.00 0.00 H new ATOM 793 N VAL A 52 0.961 -7.197 2.873 1.00 0.00 N ATOM 794 CA VAL A 52 1.921 -7.812 3.784 1.00 0.00 C ATOM 795 C VAL A 52 3.180 -6.965 3.942 1.00 0.00 C ATOM 796 O VAL A 52 4.012 -6.894 3.037 1.00 0.00 O ATOM 797 CB VAL A 52 2.338 -9.204 3.284 1.00 0.00 C ATOM 798 CG1 VAL A 52 3.180 -9.934 4.321 1.00 0.00 C ATOM 799 CG2 VAL A 52 1.118 -10.026 2.898 1.00 0.00 C ATOM 0 H VAL A 52 1.032 -7.521 1.909 1.00 0.00 H new ATOM 0 HA VAL A 52 1.421 -7.893 4.749 1.00 0.00 H new ATOM 0 HB VAL A 52 2.953 -9.069 2.394 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.459 -10.915 3.938 1.00 0.00 H new ATOM 0 HG12 VAL A 52 4.081 -9.357 4.530 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.604 -10.053 5.239 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.437 -11.007 2.547 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.469 -10.144 3.766 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.572 -9.516 2.104 1.00 0.00 H new ATOM 809 N VAL A 53 3.324 -6.349 5.106 1.00 0.00 N ATOM 810 CA VAL A 53 4.493 -5.529 5.405 1.00 0.00 C ATOM 811 C VAL A 53 5.428 -6.279 6.351 1.00 0.00 C ATOM 812 O VAL A 53 5.033 -6.672 7.448 1.00 0.00 O ATOM 813 CB VAL A 53 4.097 -4.168 6.026 1.00 0.00 C ATOM 814 CG1 VAL A 53 2.977 -4.336 7.043 1.00 0.00 C ATOM 815 CG2 VAL A 53 5.297 -3.476 6.665 1.00 0.00 C ATOM 0 H VAL A 53 2.643 -6.401 5.864 1.00 0.00 H new ATOM 0 HA VAL A 53 5.006 -5.329 4.464 1.00 0.00 H new ATOM 0 HB VAL A 53 3.735 -3.535 5.216 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.719 -3.364 7.464 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.102 -4.764 6.553 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.307 -5.001 7.841 1.00 0.00 H new ATOM 0 HG21 VAL A 53 4.983 -2.523 7.091 1.00 0.00 H new ATOM 0 HG22 VAL A 53 5.705 -4.109 7.453 1.00 0.00 H new ATOM 0 HG23 VAL A 53 6.061 -3.301 5.908 1.00 0.00 H new ATOM 825 N GLN A 54 6.663 -6.486 5.911 1.00 0.00 N ATOM 826 CA GLN A 54 7.649 -7.206 6.716 1.00 0.00 C ATOM 827 C GLN A 54 8.938 -6.404 6.877 1.00 0.00 C ATOM 828 O GLN A 54 9.471 -5.868 5.907 1.00 0.00 O ATOM 829 CB GLN A 54 7.959 -8.564 6.080 1.00 0.00 C ATOM 830 CG GLN A 54 8.521 -8.462 4.672 1.00 0.00 C ATOM 831 CD GLN A 54 7.553 -8.962 3.618 1.00 0.00 C ATOM 832 OE1 GLN A 54 6.339 -8.804 3.747 1.00 0.00 O ATOM 833 NE2 GLN A 54 8.087 -9.571 2.565 1.00 0.00 N ATOM 0 H GLN A 54 7.007 -6.168 5.005 1.00 0.00 H new ATOM 0 HA GLN A 54 7.220 -7.357 7.707 1.00 0.00 H new ATOM 0 HB2 GLN A 54 8.672 -9.096 6.709 1.00 0.00 H new ATOM 0 HB3 GLN A 54 7.047 -9.161 6.056 1.00 0.00 H new ATOM 0 HG2 GLN A 54 8.776 -7.423 4.461 1.00 0.00 H new ATOM 0 HG3 GLN A 54 9.446 -9.036 4.612 1.00 0.00 H new ATOM 0 HE21 GLN A 54 9.099 -9.681 2.498 1.00 0.00 H new ATOM 0 HE22 GLN A 54 7.485 -9.929 1.823 1.00 0.00 H new ATOM 842 N ILE A 55 9.433 -6.336 8.113 1.00 0.00 N ATOM 843 CA ILE A 55 10.661 -5.605 8.417 1.00 0.00 C ATOM 844 C ILE A 55 11.864 -6.540 8.486 1.00 0.00 C ATOM 845 O ILE A 55 11.825 -7.573 9.153 1.00 0.00 O ATOM 846 CB ILE A 55 10.546 -4.851 9.756 1.00 0.00 C ATOM 847 CG1 ILE A 55 10.119 -5.808 10.873 1.00 0.00 C ATOM 848 CG2 ILE A 55 9.560 -3.697 9.633 1.00 0.00 C ATOM 849 CD1 ILE A 55 11.037 -5.776 12.076 1.00 0.00 C ATOM 0 H ILE A 55 8.999 -6.781 8.922 1.00 0.00 H new ATOM 0 HA ILE A 55 10.806 -4.890 7.608 1.00 0.00 H new ATOM 0 HB ILE A 55 11.524 -4.442 10.009 1.00 0.00 H new ATOM 0 HG12 ILE A 55 9.107 -5.556 11.191 1.00 0.00 H new ATOM 0 HG13 ILE A 55 10.085 -6.823 10.478 1.00 0.00 H new ATOM 0 HG21 ILE A 55 9.490 -3.175 10.587 1.00 0.00 H new ATOM 0 HG22 ILE A 55 9.904 -3.005 8.865 1.00 0.00 H new ATOM 0 HG23 ILE A 55 8.579 -4.084 9.359 1.00 0.00 H new ATOM 0 HD11 ILE A 55 10.676 -6.477 12.828 1.00 0.00 H new ATOM 0 HD12 ILE A 55 12.045 -6.058 11.772 1.00 0.00 H new ATOM 0 HD13 ILE A 55 11.052 -4.770 12.495 1.00 0.00 H new ATOM 861 N THR A 56 12.936 -6.160 7.797 1.00 0.00 N ATOM 862 CA THR A 56 14.158 -6.953 7.783 1.00 0.00 C ATOM 863 C THR A 56 15.338 -6.123 8.279 1.00 0.00 C ATOM 864 O THR A 56 15.849 -5.262 7.563 1.00 0.00 O ATOM 865 CB THR A 56 14.442 -7.471 6.371 1.00 0.00 C ATOM 866 OG1 THR A 56 13.310 -8.141 5.847 1.00 0.00 O ATOM 867 CG2 THR A 56 15.613 -8.428 6.308 1.00 0.00 C ATOM 0 H THR A 56 12.982 -5.306 7.241 1.00 0.00 H new ATOM 0 HA THR A 56 14.022 -7.804 8.450 1.00 0.00 H new ATOM 0 HB THR A 56 14.686 -6.587 5.782 1.00 0.00 H new ATOM 0 HG1 THR A 56 13.510 -8.463 4.943 1.00 0.00 H new ATOM 0 HG21 THR A 56 15.759 -8.757 5.279 1.00 0.00 H new ATOM 0 HG22 THR A 56 16.514 -7.925 6.660 1.00 0.00 H new ATOM 0 HG23 THR A 56 15.410 -9.293 6.940 1.00 0.00 H new ATOM 1312 N LEU A 89 13.880 -14.586 -13.659 1.00 0.00 N ATOM 1313 CA LEU A 89 14.886 -14.421 -12.615 1.00 0.00 C ATOM 1314 C LEU A 89 14.347 -14.859 -11.254 1.00 0.00 C ATOM 1315 O LEU A 89 15.115 -15.086 -10.319 1.00 0.00 O ATOM 1316 CB LEU A 89 15.346 -12.963 -12.547 1.00 0.00 C ATOM 1317 CG LEU A 89 16.547 -12.618 -13.431 1.00 0.00 C ATOM 1318 CD1 LEU A 89 17.811 -13.285 -12.906 1.00 0.00 C ATOM 1319 CD2 LEU A 89 16.281 -13.029 -14.872 1.00 0.00 C ATOM 0 HA LEU A 89 15.736 -15.055 -12.867 1.00 0.00 H new ATOM 0 HB2 LEU A 89 14.511 -12.322 -12.829 1.00 0.00 H new ATOM 0 HB3 LEU A 89 15.596 -12.725 -11.513 1.00 0.00 H new ATOM 0 HG LEU A 89 16.696 -11.539 -13.403 1.00 0.00 H new ATOM 0 HD11 LEU A 89 18.653 -13.027 -13.549 1.00 0.00 H new ATOM 0 HD12 LEU A 89 18.010 -12.940 -11.891 1.00 0.00 H new ATOM 0 HD13 LEU A 89 17.677 -14.367 -12.901 1.00 0.00 H new ATOM 0 HD21 LEU A 89 17.144 -12.777 -15.488 1.00 0.00 H new ATOM 0 HD22 LEU A 89 16.105 -14.104 -14.917 1.00 0.00 H new ATOM 0 HD23 LEU A 89 15.403 -12.501 -15.245 1.00 0.00 H new ATOM 1331 N ASN A 90 13.023 -14.973 -11.145 1.00 0.00 N ATOM 1332 CA ASN A 90 12.391 -15.380 -9.892 1.00 0.00 C ATOM 1333 C ASN A 90 13.052 -16.630 -9.315 1.00 0.00 C ATOM 1334 O ASN A 90 13.414 -16.663 -8.138 1.00 0.00 O ATOM 1335 CB ASN A 90 10.899 -15.636 -10.111 1.00 0.00 C ATOM 1336 CG ASN A 90 10.056 -15.179 -8.937 1.00 0.00 C ATOM 1337 OD1 ASN A 90 9.245 -15.938 -8.407 1.00 0.00 O ATOM 1338 ND2 ASN A 90 10.244 -13.931 -8.524 1.00 0.00 N ATOM 0 H ASN A 90 12.370 -14.790 -11.907 1.00 0.00 H new ATOM 0 HA ASN A 90 12.517 -14.568 -9.176 1.00 0.00 H new ATOM 0 HB2 ASN A 90 10.573 -15.118 -11.013 1.00 0.00 H new ATOM 0 HB3 ASN A 90 10.737 -16.701 -10.279 1.00 0.00 H new ATOM 0 HD21 ASN A 90 9.705 -13.567 -7.738 1.00 0.00 H new ATOM 0 HD22 ASN A 90 10.927 -13.336 -8.993 1.00 0.00 H new ATOM 1345 N THR A 91 13.205 -17.659 -10.145 1.00 0.00 N ATOM 1346 CA THR A 91 13.821 -18.908 -9.704 1.00 0.00 C ATOM 1347 C THR A 91 15.275 -18.706 -9.259 1.00 0.00 C ATOM 1348 O THR A 91 15.850 -19.575 -8.604 1.00 0.00 O ATOM 1349 CB THR A 91 13.762 -19.950 -10.823 1.00 0.00 C ATOM 1350 OG1 THR A 91 14.600 -21.052 -10.525 1.00 0.00 O ATOM 1351 CG2 THR A 91 14.180 -19.407 -12.171 1.00 0.00 C ATOM 0 H THR A 91 12.912 -17.653 -11.122 1.00 0.00 H new ATOM 0 HA THR A 91 13.255 -19.263 -8.842 1.00 0.00 H new ATOM 0 HB THR A 91 12.716 -20.252 -10.881 1.00 0.00 H new ATOM 0 HG1 THR A 91 14.548 -21.708 -11.251 1.00 0.00 H new ATOM 0 HG21 THR A 91 14.115 -20.198 -12.918 1.00 0.00 H new ATOM 0 HG22 THR A 91 13.521 -18.586 -12.453 1.00 0.00 H new ATOM 0 HG23 THR A 91 15.207 -19.045 -12.115 1.00 0.00 H new ATOM 1359 N PHE A 92 15.867 -17.563 -9.609 1.00 0.00 N ATOM 1360 CA PHE A 92 17.243 -17.269 -9.233 1.00 0.00 C ATOM 1361 C PHE A 92 17.287 -16.086 -8.265 1.00 0.00 C ATOM 1362 O PHE A 92 17.131 -14.935 -8.672 1.00 0.00 O ATOM 1363 CB PHE A 92 18.076 -16.972 -10.487 1.00 0.00 C ATOM 1364 CG PHE A 92 18.054 -18.087 -11.496 1.00 0.00 C ATOM 1365 CD1 PHE A 92 18.642 -19.309 -11.211 1.00 0.00 C ATOM 1366 CD2 PHE A 92 17.445 -17.913 -12.729 1.00 0.00 C ATOM 1367 CE1 PHE A 92 18.623 -20.336 -12.136 1.00 0.00 C ATOM 1368 CE2 PHE A 92 17.424 -18.935 -13.657 1.00 0.00 C ATOM 1369 CZ PHE A 92 18.013 -20.149 -13.361 1.00 0.00 C ATOM 0 H PHE A 92 15.412 -16.829 -10.152 1.00 0.00 H new ATOM 0 HA PHE A 92 17.667 -18.138 -8.730 1.00 0.00 H new ATOM 0 HB2 PHE A 92 17.703 -16.061 -10.955 1.00 0.00 H new ATOM 0 HB3 PHE A 92 19.107 -16.779 -10.192 1.00 0.00 H new ATOM 0 HD1 PHE A 92 19.121 -19.461 -10.255 1.00 0.00 H new ATOM 0 HD2 PHE A 92 16.982 -16.967 -12.967 1.00 0.00 H new ATOM 0 HE1 PHE A 92 19.085 -21.284 -11.901 1.00 0.00 H new ATOM 0 HE2 PHE A 92 16.947 -18.785 -14.614 1.00 0.00 H new ATOM 0 HZ PHE A 92 17.997 -20.950 -14.086 1.00 0.00 H new ATOM 1379 N THR A 93 17.493 -16.382 -6.982 1.00 0.00 N ATOM 1380 CA THR A 93 17.548 -15.345 -5.953 1.00 0.00 C ATOM 1381 C THR A 93 18.985 -14.904 -5.675 1.00 0.00 C ATOM 1382 O THR A 93 19.433 -13.875 -6.178 1.00 0.00 O ATOM 1383 CB THR A 93 16.893 -15.843 -4.661 1.00 0.00 C ATOM 1384 OG1 THR A 93 16.943 -17.257 -4.587 1.00 0.00 O ATOM 1385 CG2 THR A 93 15.444 -15.426 -4.526 1.00 0.00 C ATOM 0 H THR A 93 17.624 -17.331 -6.631 1.00 0.00 H new ATOM 0 HA THR A 93 16.998 -14.481 -6.325 1.00 0.00 H new ATOM 0 HB THR A 93 17.462 -15.385 -3.852 1.00 0.00 H new ATOM 0 HG1 THR A 93 16.521 -17.556 -3.754 1.00 0.00 H new ATOM 0 HG21 THR A 93 15.040 -15.811 -3.590 1.00 0.00 H new ATOM 0 HG22 THR A 93 15.377 -14.338 -4.530 1.00 0.00 H new ATOM 0 HG23 THR A 93 14.870 -15.828 -5.361 1.00 0.00 H new ATOM 1393 N VAL A 94 19.701 -15.684 -4.866 1.00 0.00 N ATOM 1394 CA VAL A 94 21.085 -15.366 -4.520 1.00 0.00 C ATOM 1395 C VAL A 94 21.911 -16.634 -4.315 1.00 0.00 C ATOM 1396 O VAL A 94 22.928 -16.837 -4.976 1.00 0.00 O ATOM 1397 CB VAL A 94 21.165 -14.496 -3.250 1.00 0.00 C ATOM 1398 CG1 VAL A 94 22.596 -14.047 -2.996 1.00 0.00 C ATOM 1399 CG2 VAL A 94 20.238 -13.296 -3.367 1.00 0.00 C ATOM 0 H VAL A 94 19.346 -16.539 -4.439 1.00 0.00 H new ATOM 0 HA VAL A 94 21.497 -14.804 -5.358 1.00 0.00 H new ATOM 0 HB VAL A 94 20.842 -15.098 -2.401 1.00 0.00 H new ATOM 0 HG11 VAL A 94 22.631 -13.434 -2.095 1.00 0.00 H new ATOM 0 HG12 VAL A 94 23.234 -14.921 -2.865 1.00 0.00 H new ATOM 0 HG13 VAL A 94 22.950 -13.463 -3.846 1.00 0.00 H new ATOM 0 HG21 VAL A 94 20.307 -12.693 -2.462 1.00 0.00 H new ATOM 0 HG22 VAL A 94 20.529 -12.694 -4.227 1.00 0.00 H new ATOM 0 HG23 VAL A 94 19.212 -13.640 -3.496 1.00 0.00 H new ATOM 1409 N GLU A 95 21.456 -17.483 -3.405 1.00 0.00 N ATOM 1410 CA GLU A 95 22.132 -18.741 -3.107 1.00 0.00 C ATOM 1411 C GLU A 95 21.892 -19.766 -4.213 1.00 0.00 C ATOM 1412 O GLU A 95 22.628 -20.744 -4.339 1.00 0.00 O ATOM 1413 CB GLU A 95 21.654 -19.298 -1.765 1.00 0.00 C ATOM 1414 CG GLU A 95 20.160 -19.578 -1.721 1.00 0.00 C ATOM 1415 CD GLU A 95 19.390 -18.519 -0.956 1.00 0.00 C ATOM 1416 OE1 GLU A 95 19.864 -18.105 0.123 1.00 0.00 O ATOM 1417 OE2 GLU A 95 18.315 -18.105 -1.436 1.00 0.00 O ATOM 0 H GLU A 95 20.613 -17.322 -2.854 1.00 0.00 H new ATOM 0 HA GLU A 95 23.202 -18.542 -3.048 1.00 0.00 H new ATOM 0 HB2 GLU A 95 22.195 -20.220 -1.550 1.00 0.00 H new ATOM 0 HB3 GLU A 95 21.906 -18.589 -0.976 1.00 0.00 H new ATOM 0 HG2 GLU A 95 19.775 -19.637 -2.739 1.00 0.00 H new ATOM 0 HG3 GLU A 95 19.990 -20.550 -1.259 1.00 0.00 H new ATOM 1424 N GLN A 96 20.847 -19.536 -5.001 1.00 0.00 N ATOM 1425 CA GLN A 96 20.486 -20.433 -6.089 1.00 0.00 C ATOM 1426 C GLN A 96 21.317 -20.135 -7.321 1.00 0.00 C ATOM 1427 O GLN A 96 21.469 -20.980 -8.200 1.00 0.00 O ATOM 1428 CB GLN A 96 18.998 -20.290 -6.417 1.00 0.00 C ATOM 1429 CG GLN A 96 18.198 -21.563 -6.194 1.00 0.00 C ATOM 1430 CD GLN A 96 18.444 -22.601 -7.271 1.00 0.00 C ATOM 1431 OE1 GLN A 96 19.556 -22.732 -7.780 1.00 0.00 O ATOM 1432 NE2 GLN A 96 17.403 -23.346 -7.624 1.00 0.00 N ATOM 0 H GLN A 96 20.232 -18.728 -4.904 1.00 0.00 H new ATOM 0 HA GLN A 96 20.685 -21.457 -5.773 1.00 0.00 H new ATOM 0 HB2 GLN A 96 18.575 -19.494 -5.805 1.00 0.00 H new ATOM 0 HB3 GLN A 96 18.892 -19.983 -7.457 1.00 0.00 H new ATOM 0 HG2 GLN A 96 18.456 -21.984 -5.222 1.00 0.00 H new ATOM 0 HG3 GLN A 96 17.136 -21.320 -6.164 1.00 0.00 H new ATOM 0 HE21 GLN A 96 16.498 -23.203 -7.175 1.00 0.00 H new ATOM 0 HE22 GLN A 96 17.508 -24.061 -8.344 1.00 0.00 H new ATOM 1441 N LEU A 97 21.856 -18.927 -7.375 1.00 0.00 N ATOM 1442 CA LEU A 97 22.673 -18.519 -8.497 1.00 0.00 C ATOM 1443 C LEU A 97 24.034 -19.175 -8.379 1.00 0.00 C ATOM 1444 O LEU A 97 24.471 -19.916 -9.259 1.00 0.00 O ATOM 1445 CB LEU A 97 22.867 -16.997 -8.534 1.00 0.00 C ATOM 1446 CG LEU A 97 21.627 -16.093 -8.426 1.00 0.00 C ATOM 1447 CD1 LEU A 97 20.439 -16.777 -7.771 1.00 0.00 C ATOM 1448 CD2 LEU A 97 21.999 -14.850 -7.647 1.00 0.00 C ATOM 0 H LEU A 97 21.740 -18.216 -6.653 1.00 0.00 H new ATOM 0 HA LEU A 97 22.166 -18.824 -9.412 1.00 0.00 H new ATOM 0 HB2 LEU A 97 23.543 -16.730 -7.722 1.00 0.00 H new ATOM 0 HB3 LEU A 97 23.376 -16.751 -9.466 1.00 0.00 H new ATOM 0 HG LEU A 97 21.315 -15.842 -9.440 1.00 0.00 H new ATOM 0 HD11 LEU A 97 19.599 -16.084 -7.727 1.00 0.00 H new ATOM 0 HD12 LEU A 97 20.156 -17.653 -8.355 1.00 0.00 H new ATOM 0 HD13 LEU A 97 20.708 -17.086 -6.761 1.00 0.00 H new ATOM 0 HD21 LEU A 97 21.129 -14.199 -7.563 1.00 0.00 H new ATOM 0 HD22 LEU A 97 22.338 -15.133 -6.651 1.00 0.00 H new ATOM 0 HD23 LEU A 97 22.798 -14.321 -8.166 1.00 0.00 H new ATOM 1460 N LYS A 98 24.695 -18.897 -7.266 1.00 0.00 N ATOM 1461 CA LYS A 98 26.015 -19.452 -6.998 1.00 0.00 C ATOM 1462 C LYS A 98 25.993 -20.981 -7.037 1.00 0.00 C ATOM 1463 O LYS A 98 27.000 -21.612 -7.356 1.00 0.00 O ATOM 1464 CB LYS A 98 26.518 -18.972 -5.635 1.00 0.00 C ATOM 1465 CG LYS A 98 25.708 -19.504 -4.464 1.00 0.00 C ATOM 1466 CD LYS A 98 25.927 -18.673 -3.209 1.00 0.00 C ATOM 1467 CE LYS A 98 25.552 -17.214 -3.431 1.00 0.00 C ATOM 1468 NZ LYS A 98 24.714 -16.679 -2.322 1.00 0.00 N ATOM 0 H LYS A 98 24.338 -18.288 -6.530 1.00 0.00 H new ATOM 0 HA LYS A 98 26.692 -19.103 -7.778 1.00 0.00 H new ATOM 0 HB2 LYS A 98 27.558 -19.275 -5.514 1.00 0.00 H new ATOM 0 HB3 LYS A 98 26.499 -17.882 -5.614 1.00 0.00 H new ATOM 0 HG2 LYS A 98 24.649 -19.502 -4.722 1.00 0.00 H new ATOM 0 HG3 LYS A 98 25.986 -20.540 -4.269 1.00 0.00 H new ATOM 0 HD2 LYS A 98 25.332 -19.082 -2.392 1.00 0.00 H new ATOM 0 HD3 LYS A 98 26.972 -18.739 -2.906 1.00 0.00 H new ATOM 0 HE2 LYS A 98 26.459 -16.616 -3.521 1.00 0.00 H new ATOM 0 HE3 LYS A 98 25.012 -17.118 -4.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 24.952 -15.680 -2.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 23.709 -16.758 -2.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 24.895 -17.225 -1.456 1.00 0.00 H new ATOM 1482 N ALA A 99 24.846 -21.576 -6.701 1.00 0.00 N ATOM 1483 CA ALA A 99 24.719 -23.032 -6.695 1.00 0.00 C ATOM 1484 C ALA A 99 24.380 -23.582 -8.067 1.00 0.00 C ATOM 1485 O ALA A 99 24.775 -24.695 -8.418 1.00 0.00 O ATOM 1486 CB ALA A 99 23.681 -23.471 -5.672 1.00 0.00 C ATOM 0 H ALA A 99 23.999 -21.075 -6.432 1.00 0.00 H new ATOM 0 HA ALA A 99 25.690 -23.441 -6.414 1.00 0.00 H new ATOM 0 HB1 ALA A 99 23.599 -24.558 -5.680 1.00 0.00 H new ATOM 0 HB2 ALA A 99 23.985 -23.138 -4.680 1.00 0.00 H new ATOM 0 HB3 ALA A 99 22.715 -23.032 -5.922 1.00 0.00 H new ATOM 1492 N GLN A 100 23.663 -22.798 -8.840 1.00 0.00 N ATOM 1493 CA GLN A 100 23.282 -23.207 -10.185 1.00 0.00 C ATOM 1494 C GLN A 100 24.404 -22.899 -11.166 1.00 0.00 C ATOM 1495 O GLN A 100 24.561 -23.580 -12.179 1.00 0.00 O ATOM 1496 CB GLN A 100 21.988 -22.521 -10.626 1.00 0.00 C ATOM 1497 CG GLN A 100 20.733 -23.264 -10.201 1.00 0.00 C ATOM 1498 CD GLN A 100 20.338 -24.347 -11.186 1.00 0.00 C ATOM 1499 OE1 GLN A 100 19.582 -24.102 -12.125 1.00 0.00 O ATOM 1500 NE2 GLN A 100 20.849 -25.554 -10.974 1.00 0.00 N ATOM 0 H GLN A 100 23.329 -21.874 -8.567 1.00 0.00 H new ATOM 0 HA GLN A 100 23.106 -24.283 -10.174 1.00 0.00 H new ATOM 0 HB2 GLN A 100 21.961 -21.513 -10.212 1.00 0.00 H new ATOM 0 HB3 GLN A 100 21.991 -22.420 -11.711 1.00 0.00 H new ATOM 0 HG2 GLN A 100 20.894 -23.711 -9.220 1.00 0.00 H new ATOM 0 HG3 GLN A 100 19.912 -22.554 -10.097 1.00 0.00 H new ATOM 0 HE21 GLN A 100 21.472 -25.712 -10.182 1.00 0.00 H new ATOM 0 HE22 GLN A 100 20.618 -26.323 -11.603 1.00 0.00 H new ATOM 1509 N LEU A 101 25.196 -21.880 -10.850 1.00 0.00 N ATOM 1510 CA LEU A 101 26.315 -21.503 -11.697 1.00 0.00 C ATOM 1511 C LEU A 101 27.399 -22.569 -11.626 1.00 0.00 C ATOM 1512 O LEU A 101 27.938 -22.992 -12.646 1.00 0.00 O ATOM 1513 CB LEU A 101 26.884 -20.146 -11.271 1.00 0.00 C ATOM 1514 CG LEU A 101 26.797 -19.043 -12.328 1.00 0.00 C ATOM 1515 CD1 LEU A 101 27.499 -17.784 -11.844 1.00 0.00 C ATOM 1516 CD2 LEU A 101 27.391 -19.515 -13.649 1.00 0.00 C ATOM 0 H LEU A 101 25.082 -21.304 -10.016 1.00 0.00 H new ATOM 0 HA LEU A 101 25.960 -21.419 -12.724 1.00 0.00 H new ATOM 0 HB2 LEU A 101 26.356 -19.813 -10.377 1.00 0.00 H new ATOM 0 HB3 LEU A 101 27.930 -20.279 -10.993 1.00 0.00 H new ATOM 0 HG LEU A 101 25.745 -18.808 -12.492 1.00 0.00 H new ATOM 0 HD11 LEU A 101 27.427 -17.010 -12.609 1.00 0.00 H new ATOM 0 HD12 LEU A 101 27.026 -17.433 -10.927 1.00 0.00 H new ATOM 0 HD13 LEU A 101 28.548 -18.005 -11.649 1.00 0.00 H new ATOM 0 HD21 LEU A 101 27.319 -18.716 -14.387 1.00 0.00 H new ATOM 0 HD22 LEU A 101 28.438 -19.781 -13.503 1.00 0.00 H new ATOM 0 HD23 LEU A 101 26.842 -20.387 -14.004 1.00 0.00 H new ATOM 1528 N THR A 102 27.705 -23.007 -10.407 1.00 0.00 N ATOM 1529 CA THR A 102 28.718 -24.034 -10.193 1.00 0.00 C ATOM 1530 C THR A 102 28.367 -25.292 -10.967 1.00 0.00 C ATOM 1531 O THR A 102 29.217 -25.889 -11.628 1.00 0.00 O ATOM 1532 CB THR A 102 28.849 -24.360 -8.705 1.00 0.00 C ATOM 1533 OG1 THR A 102 27.730 -23.881 -7.979 1.00 0.00 O ATOM 1534 CG2 THR A 102 30.096 -23.776 -8.080 1.00 0.00 C ATOM 0 H THR A 102 27.265 -22.666 -9.553 1.00 0.00 H new ATOM 0 HA THR A 102 29.673 -23.650 -10.553 1.00 0.00 H new ATOM 0 HB THR A 102 28.908 -25.447 -8.650 1.00 0.00 H new ATOM 0 HG1 THR A 102 27.922 -22.983 -7.638 1.00 0.00 H new ATOM 0 HG21 THR A 102 30.132 -24.042 -7.024 1.00 0.00 H new ATOM 0 HG22 THR A 102 30.976 -24.174 -8.585 1.00 0.00 H new ATOM 0 HG23 THR A 102 30.079 -22.691 -8.181 1.00 0.00 H new ATOM 1542 N GLU A 103 27.105 -25.688 -10.884 1.00 0.00 N ATOM 1543 CA GLU A 103 26.637 -26.876 -11.583 1.00 0.00 C ATOM 1544 C GLU A 103 26.471 -26.614 -13.078 1.00 0.00 C ATOM 1545 O GLU A 103 26.188 -27.528 -13.853 1.00 0.00 O ATOM 1546 CB GLU A 103 25.318 -27.368 -10.983 1.00 0.00 C ATOM 1547 CG GLU A 103 25.253 -28.877 -10.813 1.00 0.00 C ATOM 1548 CD GLU A 103 26.234 -29.390 -9.778 1.00 0.00 C ATOM 1549 OE1 GLU A 103 26.004 -29.153 -8.574 1.00 0.00 O ATOM 1550 OE2 GLU A 103 27.233 -30.028 -10.173 1.00 0.00 O ATOM 0 H GLU A 103 26.389 -25.206 -10.341 1.00 0.00 H new ATOM 0 HA GLU A 103 27.393 -27.652 -11.459 1.00 0.00 H new ATOM 0 HB2 GLU A 103 25.171 -26.895 -10.012 1.00 0.00 H new ATOM 0 HB3 GLU A 103 24.495 -27.047 -11.622 1.00 0.00 H new ATOM 0 HG2 GLU A 103 24.242 -29.163 -10.523 1.00 0.00 H new ATOM 0 HG3 GLU A 103 25.457 -29.356 -11.771 1.00 0.00 H new ATOM 1557 N ARG A 104 26.642 -25.359 -13.472 1.00 0.00 N ATOM 1558 CA ARG A 104 26.507 -24.963 -14.870 1.00 0.00 C ATOM 1559 C ARG A 104 27.836 -24.477 -15.448 1.00 0.00 C ATOM 1560 O ARG A 104 27.858 -23.715 -16.415 1.00 0.00 O ATOM 1561 CB ARG A 104 25.452 -23.864 -14.999 1.00 0.00 C ATOM 1562 CG ARG A 104 24.909 -23.697 -16.409 1.00 0.00 C ATOM 1563 CD ARG A 104 23.953 -22.518 -16.498 1.00 0.00 C ATOM 1564 NE ARG A 104 22.810 -22.803 -17.363 1.00 0.00 N ATOM 1565 CZ ARG A 104 21.678 -22.102 -17.350 1.00 0.00 C ATOM 1566 NH1 ARG A 104 21.533 -21.078 -16.520 1.00 0.00 N ATOM 1567 NH2 ARG A 104 20.688 -22.429 -18.170 1.00 0.00 N ATOM 0 H ARG A 104 26.876 -24.593 -12.840 1.00 0.00 H new ATOM 0 HA ARG A 104 26.196 -25.840 -15.438 1.00 0.00 H new ATOM 0 HB2 ARG A 104 24.625 -24.087 -14.325 1.00 0.00 H new ATOM 0 HB3 ARG A 104 25.884 -22.918 -14.672 1.00 0.00 H new ATOM 0 HG2 ARG A 104 25.736 -23.551 -17.104 1.00 0.00 H new ATOM 0 HG3 ARG A 104 24.395 -24.609 -16.713 1.00 0.00 H new ATOM 0 HD2 ARG A 104 23.597 -22.264 -15.500 1.00 0.00 H new ATOM 0 HD3 ARG A 104 24.487 -21.647 -16.878 1.00 0.00 H new ATOM 0 HE ARG A 104 22.884 -23.584 -18.015 1.00 0.00 H new ATOM 0 HH11 ARG A 104 22.291 -20.823 -15.887 1.00 0.00 H new ATOM 0 HH12 ARG A 104 20.663 -20.545 -16.515 1.00 0.00 H new ATOM 0 HH21 ARG A 104 20.794 -23.217 -18.809 1.00 0.00 H new ATOM 0 HH22 ARG A 104 19.820 -21.893 -18.161 1.00 0.00 H new ATOM 1581 N GLY A 105 28.942 -24.922 -14.857 1.00 0.00 N ATOM 1582 CA GLY A 105 30.253 -24.517 -15.340 1.00 0.00 C ATOM 1583 C GLY A 105 30.831 -23.351 -14.560 1.00 0.00 C ATOM 1584 O GLY A 105 32.047 -23.249 -14.397 1.00 0.00 O ATOM 0 H GLY A 105 28.955 -25.553 -14.056 1.00 0.00 H new ATOM 0 HA2 GLY A 105 30.936 -25.364 -15.278 1.00 0.00 H new ATOM 0 HA3 GLY A 105 30.179 -24.244 -16.393 1.00 0.00 H new ATOM 1588 N ILE A 106 29.955 -22.473 -14.079 1.00 0.00 N ATOM 1589 CA ILE A 106 30.365 -21.302 -13.305 1.00 0.00 C ATOM 1590 C ILE A 106 31.574 -20.597 -13.924 1.00 0.00 C ATOM 1591 O ILE A 106 32.720 -20.975 -13.684 1.00 0.00 O ATOM 1592 CB ILE A 106 30.671 -21.672 -11.835 1.00 0.00 C ATOM 1593 CG1 ILE A 106 31.175 -20.450 -11.057 1.00 0.00 C ATOM 1594 CG2 ILE A 106 31.674 -22.813 -11.754 1.00 0.00 C ATOM 1595 CD1 ILE A 106 30.339 -20.133 -9.837 1.00 0.00 C ATOM 0 H ILE A 106 28.947 -22.551 -14.213 1.00 0.00 H new ATOM 0 HA ILE A 106 29.522 -20.612 -13.325 1.00 0.00 H new ATOM 0 HB ILE A 106 29.741 -22.008 -11.376 1.00 0.00 H new ATOM 0 HG12 ILE A 106 32.206 -20.624 -10.748 1.00 0.00 H new ATOM 0 HG13 ILE A 106 31.183 -19.584 -11.719 1.00 0.00 H new ATOM 0 HG21 ILE A 106 31.870 -23.052 -10.709 1.00 0.00 H new ATOM 0 HG22 ILE A 106 31.268 -23.691 -12.257 1.00 0.00 H new ATOM 0 HG23 ILE A 106 32.604 -22.515 -12.239 1.00 0.00 H new ATOM 0 HD11 ILE A 106 30.749 -19.258 -9.332 1.00 0.00 H new ATOM 0 HD12 ILE A 106 29.313 -19.928 -10.142 1.00 0.00 H new ATOM 0 HD13 ILE A 106 30.352 -20.984 -9.156 1.00 0.00 H new ATOM 1607 N THR A 107 31.308 -19.560 -14.714 1.00 0.00 N ATOM 1608 CA THR A 107 32.370 -18.796 -15.356 1.00 0.00 C ATOM 1609 C THR A 107 32.346 -17.345 -14.883 1.00 0.00 C ATOM 1610 O THR A 107 32.752 -16.438 -15.608 1.00 0.00 O ATOM 1611 CB THR A 107 32.222 -18.852 -16.877 1.00 0.00 C ATOM 1612 OG1 THR A 107 33.297 -18.182 -17.511 1.00 0.00 O ATOM 1613 CG2 THR A 107 30.935 -18.232 -17.377 1.00 0.00 C ATOM 0 H THR A 107 30.366 -19.231 -14.924 1.00 0.00 H new ATOM 0 HA THR A 107 33.326 -19.239 -15.078 1.00 0.00 H new ATOM 0 HB THR A 107 32.216 -19.913 -17.127 1.00 0.00 H new ATOM 0 HG1 THR A 107 33.449 -17.319 -17.072 1.00 0.00 H new ATOM 0 HG21 THR A 107 30.894 -18.305 -18.464 1.00 0.00 H new ATOM 0 HG22 THR A 107 30.085 -18.760 -16.945 1.00 0.00 H new ATOM 0 HG23 THR A 107 30.898 -17.183 -17.083 1.00 0.00 H new ATOM 1621 N PHE A 108 31.862 -17.136 -13.661 1.00 0.00 N ATOM 1622 CA PHE A 108 31.779 -15.796 -13.090 1.00 0.00 C ATOM 1623 C PHE A 108 33.168 -15.241 -12.787 1.00 0.00 C ATOM 1624 O PHE A 108 34.179 -15.886 -13.065 1.00 0.00 O ATOM 1625 CB PHE A 108 30.921 -15.809 -11.818 1.00 0.00 C ATOM 1626 CG PHE A 108 31.446 -16.684 -10.702 1.00 0.00 C ATOM 1627 CD1 PHE A 108 32.604 -17.438 -10.853 1.00 0.00 C ATOM 1628 CD2 PHE A 108 30.771 -16.746 -9.490 1.00 0.00 C ATOM 1629 CE1 PHE A 108 33.073 -18.230 -9.823 1.00 0.00 C ATOM 1630 CE2 PHE A 108 31.238 -17.537 -8.457 1.00 0.00 C ATOM 1631 CZ PHE A 108 32.391 -18.278 -8.624 1.00 0.00 C ATOM 0 H PHE A 108 31.522 -17.877 -13.048 1.00 0.00 H new ATOM 0 HA PHE A 108 31.307 -15.145 -13.826 1.00 0.00 H new ATOM 0 HB2 PHE A 108 30.832 -14.788 -11.447 1.00 0.00 H new ATOM 0 HB3 PHE A 108 29.916 -16.142 -12.079 1.00 0.00 H new ATOM 0 HD1 PHE A 108 33.144 -17.404 -11.788 1.00 0.00 H new ATOM 0 HD2 PHE A 108 29.869 -16.168 -9.353 1.00 0.00 H new ATOM 0 HE1 PHE A 108 33.973 -18.812 -9.956 1.00 0.00 H new ATOM 0 HE2 PHE A 108 30.702 -17.575 -7.520 1.00 0.00 H new ATOM 0 HZ PHE A 108 32.759 -18.895 -7.817 1.00 0.00 H new ATOM 1641 N LYS A 109 33.212 -14.041 -12.219 1.00 0.00 N ATOM 1642 CA LYS A 109 34.479 -13.402 -11.882 1.00 0.00 C ATOM 1643 C LYS A 109 34.640 -13.273 -10.371 1.00 0.00 C ATOM 1644 O LYS A 109 33.680 -13.438 -9.618 1.00 0.00 O ATOM 1645 CB LYS A 109 34.566 -12.021 -12.535 1.00 0.00 C ATOM 1646 CG LYS A 109 35.992 -11.549 -12.774 1.00 0.00 C ATOM 1647 CD LYS A 109 36.399 -10.470 -11.782 1.00 0.00 C ATOM 1648 CE LYS A 109 37.289 -9.422 -12.431 1.00 0.00 C ATOM 1649 NZ LYS A 109 38.513 -9.158 -11.625 1.00 0.00 N ATOM 0 H LYS A 109 32.386 -13.491 -11.982 1.00 0.00 H new ATOM 0 HA LYS A 109 35.286 -14.029 -12.262 1.00 0.00 H new ATOM 0 HB2 LYS A 109 34.036 -12.044 -13.487 1.00 0.00 H new ATOM 0 HB3 LYS A 109 34.054 -11.296 -11.902 1.00 0.00 H new ATOM 0 HG2 LYS A 109 36.674 -12.395 -12.692 1.00 0.00 H new ATOM 0 HG3 LYS A 109 36.083 -11.163 -13.789 1.00 0.00 H new ATOM 0 HD2 LYS A 109 35.507 -9.991 -11.378 1.00 0.00 H new ATOM 0 HD3 LYS A 109 36.925 -10.926 -10.943 1.00 0.00 H new ATOM 0 HE2 LYS A 109 37.576 -9.756 -13.428 1.00 0.00 H new ATOM 0 HE3 LYS A 109 36.728 -8.495 -12.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 39.093 -8.438 -12.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 38.240 -8.815 -10.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 39.061 -10.036 -11.529 1.00 0.00 H new ATOM 1663 N GLN A 110 35.861 -12.978 -9.935 1.00 0.00 N ATOM 1664 CA GLN A 110 36.149 -12.826 -8.512 1.00 0.00 C ATOM 1665 C GLN A 110 35.235 -11.780 -7.879 1.00 0.00 C ATOM 1666 O GLN A 110 34.964 -11.825 -6.679 1.00 0.00 O ATOM 1667 CB GLN A 110 37.614 -12.433 -8.306 1.00 0.00 C ATOM 1668 CG GLN A 110 38.263 -13.109 -7.109 1.00 0.00 C ATOM 1669 CD GLN A 110 38.982 -12.128 -6.203 1.00 0.00 C ATOM 1670 OE1 GLN A 110 40.117 -11.735 -6.472 1.00 0.00 O ATOM 1671 NE2 GLN A 110 38.322 -11.728 -5.122 1.00 0.00 N ATOM 0 H GLN A 110 36.666 -12.840 -10.546 1.00 0.00 H new ATOM 0 HA GLN A 110 35.965 -13.784 -8.025 1.00 0.00 H new ATOM 0 HB2 GLN A 110 38.178 -12.683 -9.204 1.00 0.00 H new ATOM 0 HB3 GLN A 110 37.677 -11.352 -8.181 1.00 0.00 H new ATOM 0 HG2 GLN A 110 37.500 -13.635 -6.536 1.00 0.00 H new ATOM 0 HG3 GLN A 110 38.971 -13.859 -7.460 1.00 0.00 H new ATOM 0 HE21 GLN A 110 37.382 -12.080 -4.939 1.00 0.00 H new ATOM 0 HE22 GLN A 110 38.755 -11.069 -4.475 1.00 0.00 H new ATOM 1680 N SER A 111 34.763 -10.842 -8.694 1.00 0.00 N ATOM 1681 CA SER A 111 33.878 -9.786 -8.213 1.00 0.00 C ATOM 1682 C SER A 111 32.428 -10.263 -8.143 1.00 0.00 C ATOM 1683 O SER A 111 31.536 -9.499 -7.773 1.00 0.00 O ATOM 1684 CB SER A 111 33.979 -8.560 -9.120 1.00 0.00 C ATOM 1685 OG SER A 111 35.061 -7.728 -8.740 1.00 0.00 O ATOM 0 H SER A 111 34.978 -10.791 -9.690 1.00 0.00 H new ATOM 0 HA SER A 111 34.195 -9.518 -7.205 1.00 0.00 H new ATOM 0 HB2 SER A 111 34.108 -8.879 -10.154 1.00 0.00 H new ATOM 0 HB3 SER A 111 33.049 -7.994 -9.075 1.00 0.00 H new ATOM 0 HG SER A 111 35.103 -6.953 -9.338 1.00 0.00 H new ATOM 1691 N ALA A 112 32.194 -11.526 -8.498 1.00 0.00 N ATOM 1692 CA ALA A 112 30.849 -12.088 -8.468 1.00 0.00 C ATOM 1693 C ALA A 112 30.322 -12.168 -7.040 1.00 0.00 C ATOM 1694 O ALA A 112 30.310 -13.238 -6.432 1.00 0.00 O ATOM 1695 CB ALA A 112 30.835 -13.465 -9.116 1.00 0.00 C ATOM 0 H ALA A 112 32.917 -12.175 -8.808 1.00 0.00 H new ATOM 0 HA ALA A 112 30.193 -11.427 -9.035 1.00 0.00 H new ATOM 0 HB1 ALA A 112 29.824 -13.871 -9.086 1.00 0.00 H new ATOM 0 HB2 ALA A 112 31.162 -13.383 -10.153 1.00 0.00 H new ATOM 0 HB3 ALA A 112 31.509 -14.129 -8.575 1.00 0.00 H new ATOM 1701 N THR A 113 29.891 -11.029 -6.511 1.00 0.00 N ATOM 1702 CA THR A 113 29.367 -10.968 -5.153 1.00 0.00 C ATOM 1703 C THR A 113 27.948 -11.517 -5.091 1.00 0.00 C ATOM 1704 O THR A 113 27.735 -12.662 -4.694 1.00 0.00 O ATOM 1705 CB THR A 113 29.402 -9.529 -4.638 1.00 0.00 C ATOM 1706 OG1 THR A 113 28.546 -8.698 -5.402 1.00 0.00 O ATOM 1707 CG2 THR A 113 30.786 -8.925 -4.681 1.00 0.00 C ATOM 0 H THR A 113 29.894 -10.135 -7.002 1.00 0.00 H new ATOM 0 HA THR A 113 29.998 -11.587 -4.516 1.00 0.00 H new ATOM 0 HB THR A 113 29.071 -9.581 -3.601 1.00 0.00 H new ATOM 0 HG1 THR A 113 28.583 -7.783 -5.054 1.00 0.00 H new ATOM 0 HG21 THR A 113 30.749 -7.903 -4.304 1.00 0.00 H new ATOM 0 HG22 THR A 113 31.460 -9.516 -4.062 1.00 0.00 H new ATOM 0 HG23 THR A 113 31.149 -8.919 -5.709 1.00 0.00 H new ATOM 1715 N LYS A 114 26.977 -10.700 -5.486 1.00 0.00 N ATOM 1716 CA LYS A 114 25.586 -11.125 -5.468 1.00 0.00 C ATOM 1717 C LYS A 114 24.792 -10.501 -6.610 1.00 0.00 C ATOM 1718 O LYS A 114 23.954 -11.159 -7.224 1.00 0.00 O ATOM 1719 CB LYS A 114 24.935 -10.789 -4.124 1.00 0.00 C ATOM 1720 CG LYS A 114 24.787 -9.297 -3.872 1.00 0.00 C ATOM 1721 CD LYS A 114 23.417 -8.795 -4.298 1.00 0.00 C ATOM 1722 CE LYS A 114 23.019 -7.545 -3.531 1.00 0.00 C ATOM 1723 NZ LYS A 114 24.067 -6.490 -3.605 1.00 0.00 N ATOM 0 H LYS A 114 27.128 -9.748 -5.820 1.00 0.00 H new ATOM 0 HA LYS A 114 25.574 -12.206 -5.605 1.00 0.00 H new ATOM 0 HB2 LYS A 114 23.951 -11.255 -4.081 1.00 0.00 H new ATOM 0 HB3 LYS A 114 25.530 -11.226 -3.323 1.00 0.00 H new ATOM 0 HG2 LYS A 114 24.939 -9.089 -2.813 1.00 0.00 H new ATOM 0 HG3 LYS A 114 25.560 -8.756 -4.418 1.00 0.00 H new ATOM 0 HD2 LYS A 114 23.423 -8.581 -5.367 1.00 0.00 H new ATOM 0 HD3 LYS A 114 22.675 -9.576 -4.133 1.00 0.00 H new ATOM 0 HE2 LYS A 114 22.083 -7.156 -3.932 1.00 0.00 H new ATOM 0 HE3 LYS A 114 22.836 -7.802 -2.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 23.692 -5.600 -3.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 24.897 -6.786 -3.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 24.345 -6.346 -4.597 1.00 0.00 H new ATOM 1737 N ALA A 115 25.060 -9.237 -6.897 1.00 0.00 N ATOM 1738 CA ALA A 115 24.364 -8.552 -7.973 1.00 0.00 C ATOM 1739 C ALA A 115 24.979 -8.903 -9.322 1.00 0.00 C ATOM 1740 O ALA A 115 24.325 -8.806 -10.360 1.00 0.00 O ATOM 1741 CB ALA A 115 24.390 -7.047 -7.750 1.00 0.00 C ATOM 0 H ALA A 115 25.749 -8.669 -6.404 1.00 0.00 H new ATOM 0 HA ALA A 115 23.326 -8.884 -7.975 1.00 0.00 H new ATOM 0 HB1 ALA A 115 23.864 -6.549 -8.565 1.00 0.00 H new ATOM 0 HB2 ALA A 115 23.901 -6.811 -6.805 1.00 0.00 H new ATOM 0 HB3 ALA A 115 25.423 -6.701 -7.720 1.00 0.00 H new ATOM 1747 N GLU A 116 26.244 -9.312 -9.298 1.00 0.00 N ATOM 1748 CA GLU A 116 26.951 -9.679 -10.519 1.00 0.00 C ATOM 1749 C GLU A 116 26.704 -11.136 -10.891 1.00 0.00 C ATOM 1750 O GLU A 116 26.591 -11.472 -12.071 1.00 0.00 O ATOM 1751 CB GLU A 116 28.451 -9.427 -10.359 1.00 0.00 C ATOM 1752 CG GLU A 116 28.782 -8.035 -9.847 1.00 0.00 C ATOM 1753 CD GLU A 116 28.428 -6.947 -10.841 1.00 0.00 C ATOM 1754 OE1 GLU A 116 28.424 -7.233 -12.057 1.00 0.00 O ATOM 1755 OE2 GLU A 116 28.154 -5.810 -10.405 1.00 0.00 O ATOM 0 H GLU A 116 26.800 -9.397 -8.447 1.00 0.00 H new ATOM 0 HA GLU A 116 26.565 -9.055 -11.326 1.00 0.00 H new ATOM 0 HB2 GLU A 116 28.864 -10.166 -9.672 1.00 0.00 H new ATOM 0 HB3 GLU A 116 28.941 -9.577 -11.321 1.00 0.00 H new ATOM 0 HG2 GLU A 116 28.246 -7.858 -8.915 1.00 0.00 H new ATOM 0 HG3 GLU A 116 29.846 -7.980 -9.618 1.00 0.00 H new ATOM 1762 N LEU A 117 26.625 -12.000 -9.885 1.00 0.00 N ATOM 1763 CA LEU A 117 26.397 -13.421 -10.127 1.00 0.00 C ATOM 1764 C LEU A 117 24.917 -13.705 -10.349 1.00 0.00 C ATOM 1765 O LEU A 117 24.558 -14.726 -10.935 1.00 0.00 O ATOM 1766 CB LEU A 117 27.011 -14.279 -9.001 1.00 0.00 C ATOM 1767 CG LEU A 117 26.123 -14.670 -7.817 1.00 0.00 C ATOM 1768 CD1 LEU A 117 26.999 -15.074 -6.643 1.00 0.00 C ATOM 1769 CD2 LEU A 117 25.205 -13.540 -7.407 1.00 0.00 C ATOM 0 H LEU A 117 26.715 -11.745 -8.901 1.00 0.00 H new ATOM 0 HA LEU A 117 26.909 -13.705 -11.047 1.00 0.00 H new ATOM 0 HB2 LEU A 117 27.387 -15.198 -9.451 1.00 0.00 H new ATOM 0 HB3 LEU A 117 27.873 -13.741 -8.606 1.00 0.00 H new ATOM 0 HG LEU A 117 25.498 -15.508 -8.124 1.00 0.00 H new ATOM 0 HD11 LEU A 117 26.369 -15.353 -5.798 1.00 0.00 H new ATOM 0 HD12 LEU A 117 27.621 -15.923 -6.928 1.00 0.00 H new ATOM 0 HD13 LEU A 117 27.636 -14.236 -6.359 1.00 0.00 H new ATOM 0 HD21 LEU A 117 24.591 -13.857 -6.564 1.00 0.00 H new ATOM 0 HD22 LEU A 117 25.801 -12.674 -7.117 1.00 0.00 H new ATOM 0 HD23 LEU A 117 24.561 -13.273 -8.244 1.00 0.00 H new ATOM 1781 N ILE A 118 24.061 -12.785 -9.913 1.00 0.00 N ATOM 1782 CA ILE A 118 22.632 -12.944 -10.114 1.00 0.00 C ATOM 1783 C ILE A 118 22.246 -12.458 -11.512 1.00 0.00 C ATOM 1784 O ILE A 118 21.263 -12.917 -12.091 1.00 0.00 O ATOM 1785 CB ILE A 118 21.798 -12.193 -9.040 1.00 0.00 C ATOM 1786 CG1 ILE A 118 20.333 -12.650 -9.085 1.00 0.00 C ATOM 1787 CG2 ILE A 118 21.894 -10.680 -9.199 1.00 0.00 C ATOM 1788 CD1 ILE A 118 19.527 -12.050 -10.220 1.00 0.00 C ATOM 0 H ILE A 118 24.332 -11.932 -9.424 1.00 0.00 H new ATOM 0 HA ILE A 118 22.405 -14.006 -10.016 1.00 0.00 H new ATOM 0 HB ILE A 118 22.217 -12.443 -8.065 1.00 0.00 H new ATOM 0 HG12 ILE A 118 20.306 -13.736 -9.170 1.00 0.00 H new ATOM 0 HG13 ILE A 118 19.855 -12.393 -8.140 1.00 0.00 H new ATOM 0 HG21 ILE A 118 21.296 -10.194 -8.428 1.00 0.00 H new ATOM 0 HG22 ILE A 118 22.934 -10.369 -9.101 1.00 0.00 H new ATOM 0 HG23 ILE A 118 21.521 -10.393 -10.182 1.00 0.00 H new ATOM 0 HD11 ILE A 118 18.504 -12.425 -10.178 1.00 0.00 H new ATOM 0 HD12 ILE A 118 19.519 -10.964 -10.126 1.00 0.00 H new ATOM 0 HD13 ILE A 118 19.977 -12.329 -11.173 1.00 0.00 H new ATOM 1800 N ALA A 119 23.045 -11.534 -12.053 1.00 0.00 N ATOM 1801 CA ALA A 119 22.806 -10.996 -13.386 1.00 0.00 C ATOM 1802 C ALA A 119 23.455 -11.872 -14.447 1.00 0.00 C ATOM 1803 O ALA A 119 22.936 -12.020 -15.554 1.00 0.00 O ATOM 1804 CB ALA A 119 23.323 -9.567 -13.481 1.00 0.00 C ATOM 0 H ALA A 119 23.863 -11.145 -11.584 1.00 0.00 H new ATOM 0 HA ALA A 119 21.731 -10.988 -13.565 1.00 0.00 H new ATOM 0 HB1 ALA A 119 23.137 -9.179 -14.482 1.00 0.00 H new ATOM 0 HB2 ALA A 119 22.808 -8.944 -12.749 1.00 0.00 H new ATOM 0 HB3 ALA A 119 24.394 -9.553 -13.279 1.00 0.00 H new ATOM 1810 N LEU A 120 24.604 -12.449 -14.099 1.00 0.00 N ATOM 1811 CA LEU A 120 25.343 -13.309 -15.015 1.00 0.00 C ATOM 1812 C LEU A 120 24.451 -14.412 -15.571 1.00 0.00 C ATOM 1813 O LEU A 120 24.512 -14.732 -16.758 1.00 0.00 O ATOM 1814 CB LEU A 120 26.553 -13.923 -14.307 1.00 0.00 C ATOM 1815 CG LEU A 120 27.812 -14.051 -15.170 1.00 0.00 C ATOM 1816 CD1 LEU A 120 28.995 -13.372 -14.498 1.00 0.00 C ATOM 1817 CD2 LEU A 120 28.123 -15.514 -15.449 1.00 0.00 C ATOM 0 H LEU A 120 25.043 -12.334 -13.185 1.00 0.00 H new ATOM 0 HA LEU A 120 25.689 -12.696 -15.847 1.00 0.00 H new ATOM 0 HB2 LEU A 120 26.790 -13.316 -13.433 1.00 0.00 H new ATOM 0 HB3 LEU A 120 26.278 -14.913 -13.943 1.00 0.00 H new ATOM 0 HG LEU A 120 27.626 -13.552 -16.121 1.00 0.00 H new ATOM 0 HD11 LEU A 120 29.879 -13.475 -15.127 1.00 0.00 H new ATOM 0 HD12 LEU A 120 28.773 -12.315 -14.353 1.00 0.00 H new ATOM 0 HD13 LEU A 120 29.182 -13.839 -13.531 1.00 0.00 H new ATOM 0 HD21 LEU A 120 29.021 -15.584 -16.063 1.00 0.00 H new ATOM 0 HD22 LEU A 120 28.286 -16.037 -14.507 1.00 0.00 H new ATOM 0 HD23 LEU A 120 27.285 -15.970 -15.977 1.00 0.00 H new ATOM 1829 N PHE A 121 23.623 -14.993 -14.708 1.00 0.00 N ATOM 1830 CA PHE A 121 22.721 -16.064 -15.122 1.00 0.00 C ATOM 1831 C PHE A 121 21.965 -15.695 -16.397 1.00 0.00 C ATOM 1832 O PHE A 121 22.064 -16.386 -17.410 1.00 0.00 O ATOM 1833 CB PHE A 121 21.734 -16.386 -14.003 1.00 0.00 C ATOM 1834 CG PHE A 121 22.172 -17.539 -13.154 1.00 0.00 C ATOM 1835 CD1 PHE A 121 23.179 -17.379 -12.219 1.00 0.00 C ATOM 1836 CD2 PHE A 121 21.585 -18.784 -13.297 1.00 0.00 C ATOM 1837 CE1 PHE A 121 23.592 -18.439 -11.440 1.00 0.00 C ATOM 1838 CE2 PHE A 121 21.995 -19.849 -12.523 1.00 0.00 C ATOM 1839 CZ PHE A 121 23.000 -19.676 -11.593 1.00 0.00 C ATOM 0 H PHE A 121 23.557 -14.742 -13.722 1.00 0.00 H new ATOM 0 HA PHE A 121 23.326 -16.946 -15.332 1.00 0.00 H new ATOM 0 HB2 PHE A 121 21.606 -15.505 -13.373 1.00 0.00 H new ATOM 0 HB3 PHE A 121 20.760 -16.611 -14.438 1.00 0.00 H new ATOM 0 HD1 PHE A 121 23.647 -16.413 -12.098 1.00 0.00 H new ATOM 0 HD2 PHE A 121 20.797 -18.923 -14.023 1.00 0.00 H new ATOM 0 HE1 PHE A 121 24.377 -18.301 -10.711 1.00 0.00 H new ATOM 0 HE2 PHE A 121 21.531 -20.817 -12.644 1.00 0.00 H new ATOM 0 HZ PHE A 121 23.323 -20.508 -10.985 1.00 0.00 H new