USER MOD reduce.3.24.130724 H: found=0, std=0, add=536, rem=0, adj=15 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 -164:sc= -5.62! USER MOD Single : A 9 CYS SG : rot 33:sc= 0.0981 USER MOD Single : A 13 GLN : amide:sc= -0.146 X(o=-0.15,f=0) USER MOD Single : A 14 ASN : amide:sc= -4.29! C(o=-4.3!,f=-4.6!) USER MOD Single : A 32 ASN : amide:sc= -1.25 K(o=-1.3,f=-7.1!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= -0.314 USER MOD Single : A 41 GLN :FLIP amide:sc= -2.83! C(o=-6.6!,f=-2.8!) USER MOD Single : A 44 GLN : amide:sc= -0.0624 X(o=-0.062,f=-0.083) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 THR OG1 : rot 47:sc= 0.48 USER MOD Single : A 90 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 THR OG1 : rot 68:sc= 0.0951 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= -0.0451 X(o=-0.045,f=0) USER MOD Single : A 98 LYS NZ :NH3+ 168:sc= -3.14! (180deg=-3.93!) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 THR OG1 : rot -83:sc= 0.282 USER MOD Single : A 107 THR OG1 : rot 60:sc= -1.55 USER MOD Single : A 109 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0506) USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 SER OG : rot 46:sc= 0.237 USER MOD Single : A 113 THR OG1 : rot 91:sc= 0.125 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 90 N THR A 7 16.808 2.458 12.423 1.00 0.00 N ATOM 91 CA THR A 7 16.449 2.772 11.044 1.00 0.00 C ATOM 92 C THR A 7 16.581 1.540 10.157 1.00 0.00 C ATOM 93 O THR A 7 17.603 0.855 10.180 1.00 0.00 O ATOM 94 CB THR A 7 17.351 3.880 10.518 1.00 0.00 C ATOM 95 OG1 THR A 7 17.059 4.170 9.165 1.00 0.00 O ATOM 96 CG2 THR A 7 18.817 3.530 10.611 1.00 0.00 C ATOM 0 HA THR A 7 15.411 3.104 11.024 1.00 0.00 H new ATOM 0 HB THR A 7 17.154 4.746 11.149 1.00 0.00 H new ATOM 0 HG1 THR A 7 17.795 4.687 8.775 1.00 0.00 H new ATOM 0 HG21 THR A 7 19.413 4.355 10.222 1.00 0.00 H new ATOM 0 HG22 THR A 7 19.083 3.349 11.653 1.00 0.00 H new ATOM 0 HG23 THR A 7 19.015 2.632 10.025 1.00 0.00 H new ATOM 104 N PHE A 8 15.541 1.259 9.383 1.00 0.00 N ATOM 105 CA PHE A 8 15.547 0.098 8.495 1.00 0.00 C ATOM 106 C PHE A 8 14.745 0.338 7.219 1.00 0.00 C ATOM 107 O PHE A 8 13.778 1.100 7.215 1.00 0.00 O ATOM 108 CB PHE A 8 14.987 -1.120 9.226 1.00 0.00 C ATOM 109 CG PHE A 8 14.028 -0.763 10.320 1.00 0.00 C ATOM 110 CD1 PHE A 8 14.498 -0.367 11.563 1.00 0.00 C ATOM 111 CD2 PHE A 8 12.660 -0.821 10.109 1.00 0.00 C ATOM 112 CE1 PHE A 8 13.621 -0.037 12.577 1.00 0.00 C ATOM 113 CE2 PHE A 8 11.777 -0.492 11.121 1.00 0.00 C ATOM 114 CZ PHE A 8 12.258 -0.101 12.356 1.00 0.00 C ATOM 0 H PHE A 8 14.686 1.814 9.350 1.00 0.00 H new ATOM 0 HA PHE A 8 16.583 -0.080 8.206 1.00 0.00 H new ATOM 0 HB2 PHE A 8 14.484 -1.767 8.508 1.00 0.00 H new ATOM 0 HB3 PHE A 8 15.812 -1.693 9.648 1.00 0.00 H new ATOM 0 HD1 PHE A 8 15.562 -0.316 11.740 1.00 0.00 H new ATOM 0 HD2 PHE A 8 12.280 -1.126 9.145 1.00 0.00 H new ATOM 0 HE1 PHE A 8 13.999 0.270 13.541 1.00 0.00 H new ATOM 0 HE2 PHE A 8 10.712 -0.541 10.946 1.00 0.00 H new ATOM 0 HZ PHE A 8 11.570 0.154 13.148 1.00 0.00 H new ATOM 124 N CYS A 9 15.120 -0.364 6.156 1.00 0.00 N ATOM 125 CA CYS A 9 14.407 -0.280 4.887 1.00 0.00 C ATOM 126 C CYS A 9 13.457 -1.474 4.781 1.00 0.00 C ATOM 127 O CYS A 9 13.885 -2.622 4.889 1.00 0.00 O ATOM 128 CB CYS A 9 15.392 -0.278 3.716 1.00 0.00 C ATOM 129 SG CYS A 9 16.568 -1.651 3.739 1.00 0.00 S ATOM 0 H CYS A 9 15.917 -1.000 6.148 1.00 0.00 H new ATOM 0 HA CYS A 9 13.839 0.649 4.847 1.00 0.00 H new ATOM 0 HB2 CYS A 9 14.830 -0.310 2.782 1.00 0.00 H new ATOM 0 HB3 CYS A 9 15.946 0.661 3.722 1.00 0.00 H new ATOM 0 HG CYS A 9 16.000 -2.700 4.255 1.00 0.00 H new ATOM 135 N VAL A 10 12.168 -1.206 4.601 1.00 0.00 N ATOM 136 CA VAL A 10 11.172 -2.274 4.520 1.00 0.00 C ATOM 137 C VAL A 10 10.605 -2.415 3.115 1.00 0.00 C ATOM 138 O VAL A 10 10.613 -1.472 2.334 1.00 0.00 O ATOM 139 CB VAL A 10 10.014 -2.029 5.522 1.00 0.00 C ATOM 140 CG1 VAL A 10 8.732 -1.592 4.821 1.00 0.00 C ATOM 141 CG2 VAL A 10 9.765 -3.267 6.363 1.00 0.00 C ATOM 0 H VAL A 10 11.788 -0.264 4.509 1.00 0.00 H new ATOM 0 HA VAL A 10 11.683 -3.201 4.779 1.00 0.00 H new ATOM 0 HB VAL A 10 10.320 -1.213 6.177 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.949 -1.432 5.562 1.00 0.00 H new ATOM 0 HG12 VAL A 10 8.912 -0.664 4.278 1.00 0.00 H new ATOM 0 HG13 VAL A 10 8.417 -2.367 4.122 1.00 0.00 H new ATOM 0 HG21 VAL A 10 8.949 -3.075 7.060 1.00 0.00 H new ATOM 0 HG22 VAL A 10 9.499 -4.101 5.713 1.00 0.00 H new ATOM 0 HG23 VAL A 10 10.668 -3.515 6.921 1.00 0.00 H new ATOM 151 N VAL A 11 10.108 -3.601 2.800 1.00 0.00 N ATOM 152 CA VAL A 11 9.537 -3.853 1.492 1.00 0.00 C ATOM 153 C VAL A 11 8.224 -4.624 1.602 1.00 0.00 C ATOM 154 O VAL A 11 8.112 -5.583 2.364 1.00 0.00 O ATOM 155 CB VAL A 11 10.537 -4.607 0.607 1.00 0.00 C ATOM 156 CG1 VAL A 11 11.107 -5.801 1.350 1.00 0.00 C ATOM 157 CG2 VAL A 11 9.904 -5.027 -0.712 1.00 0.00 C ATOM 0 H VAL A 11 10.090 -4.401 3.433 1.00 0.00 H new ATOM 0 HA VAL A 11 9.320 -2.891 1.027 1.00 0.00 H new ATOM 0 HB VAL A 11 11.358 -3.930 0.370 1.00 0.00 H new ATOM 0 HG11 VAL A 11 11.815 -6.325 0.708 1.00 0.00 H new ATOM 0 HG12 VAL A 11 11.618 -5.459 2.250 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.298 -6.477 1.626 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.640 -5.559 -1.315 1.00 0.00 H new ATOM 0 HG22 VAL A 11 9.054 -5.681 -0.516 1.00 0.00 H new ATOM 0 HG23 VAL A 11 9.564 -4.142 -1.251 1.00 0.00 H new ATOM 167 N VAL A 12 7.228 -4.174 0.846 1.00 0.00 N ATOM 168 CA VAL A 12 5.905 -4.789 0.859 1.00 0.00 C ATOM 169 C VAL A 12 5.677 -5.680 -0.355 1.00 0.00 C ATOM 170 O VAL A 12 5.476 -5.191 -1.466 1.00 0.00 O ATOM 171 CB VAL A 12 4.807 -3.712 0.882 1.00 0.00 C ATOM 172 CG1 VAL A 12 4.769 -3.017 2.233 1.00 0.00 C ATOM 173 CG2 VAL A 12 5.026 -2.707 -0.240 1.00 0.00 C ATOM 0 H VAL A 12 7.313 -3.380 0.212 1.00 0.00 H new ATOM 0 HA VAL A 12 5.856 -5.400 1.760 1.00 0.00 H new ATOM 0 HB VAL A 12 3.843 -4.195 0.724 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.986 -2.259 2.230 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.562 -3.749 3.013 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.732 -2.544 2.426 1.00 0.00 H new ATOM 0 HG21 VAL A 12 4.241 -1.952 -0.210 1.00 0.00 H new ATOM 0 HG22 VAL A 12 5.996 -2.227 -0.114 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.998 -3.222 -1.200 1.00 0.00 H new ATOM 183 N GLN A 13 5.678 -6.989 -0.132 1.00 0.00 N ATOM 184 CA GLN A 13 5.441 -7.938 -1.211 1.00 0.00 C ATOM 185 C GLN A 13 3.951 -8.243 -1.312 1.00 0.00 C ATOM 186 O GLN A 13 3.391 -8.940 -0.466 1.00 0.00 O ATOM 187 CB GLN A 13 6.229 -9.228 -0.978 1.00 0.00 C ATOM 188 CG GLN A 13 6.478 -10.023 -2.249 1.00 0.00 C ATOM 189 CD GLN A 13 5.491 -11.160 -2.427 1.00 0.00 C ATOM 190 OE1 GLN A 13 4.759 -11.213 -3.415 1.00 0.00 O ATOM 191 NE2 GLN A 13 5.465 -12.077 -1.467 1.00 0.00 N ATOM 0 H GLN A 13 5.839 -7.415 0.781 1.00 0.00 H new ATOM 0 HA GLN A 13 5.780 -7.494 -2.147 1.00 0.00 H new ATOM 0 HB2 GLN A 13 7.187 -8.982 -0.519 1.00 0.00 H new ATOM 0 HB3 GLN A 13 5.687 -9.853 -0.268 1.00 0.00 H new ATOM 0 HG2 GLN A 13 6.417 -9.356 -3.109 1.00 0.00 H new ATOM 0 HG3 GLN A 13 7.491 -10.425 -2.229 1.00 0.00 H new ATOM 0 HE21 GLN A 13 6.090 -11.994 -0.665 1.00 0.00 H new ATOM 0 HE22 GLN A 13 4.820 -12.865 -1.532 1.00 0.00 H new ATOM 200 N ASN A 14 3.311 -7.703 -2.343 1.00 0.00 N ATOM 201 CA ASN A 14 1.881 -7.904 -2.544 1.00 0.00 C ATOM 202 C ASN A 14 1.604 -8.674 -3.828 1.00 0.00 C ATOM 203 O ASN A 14 2.323 -8.534 -4.818 1.00 0.00 O ATOM 204 CB ASN A 14 1.164 -6.551 -2.579 1.00 0.00 C ATOM 205 CG ASN A 14 -0.338 -6.686 -2.690 1.00 0.00 C ATOM 206 OD1 ASN A 14 -0.924 -7.665 -2.228 1.00 0.00 O ATOM 207 ND2 ASN A 14 -0.966 -5.695 -3.309 1.00 0.00 N ATOM 0 H ASN A 14 3.759 -7.123 -3.052 1.00 0.00 H new ATOM 0 HA ASN A 14 1.502 -8.494 -1.710 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.408 -5.992 -1.676 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.535 -5.970 -3.423 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -1.980 -5.723 -3.419 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -0.435 -4.905 -3.675 1.00 0.00 H new ATOM 482 N ASP A 31 6.819 -5.674 -5.256 1.00 0.00 N ATOM 483 CA ASP A 31 7.500 -5.321 -4.017 1.00 0.00 C ATOM 484 C ASP A 31 8.043 -3.897 -4.078 1.00 0.00 C ATOM 485 O ASP A 31 8.740 -3.527 -5.022 1.00 0.00 O ATOM 486 CB ASP A 31 8.648 -6.293 -3.741 1.00 0.00 C ATOM 487 CG ASP A 31 8.246 -7.746 -3.912 1.00 0.00 C ATOM 488 OD1 ASP A 31 7.552 -8.061 -4.902 1.00 0.00 O ATOM 489 OD2 ASP A 31 8.631 -8.571 -3.057 1.00 0.00 O ATOM 0 HA ASP A 31 6.772 -5.385 -3.208 1.00 0.00 H new ATOM 0 HB2 ASP A 31 9.476 -6.069 -4.413 1.00 0.00 H new ATOM 0 HB3 ASP A 31 9.011 -6.139 -2.725 1.00 0.00 H new ATOM 494 N ASN A 32 7.727 -3.109 -3.057 1.00 0.00 N ATOM 495 CA ASN A 32 8.194 -1.730 -2.980 1.00 0.00 C ATOM 496 C ASN A 32 9.105 -1.560 -1.773 1.00 0.00 C ATOM 497 O ASN A 32 8.758 -1.975 -0.670 1.00 0.00 O ATOM 498 CB ASN A 32 7.007 -0.769 -2.882 1.00 0.00 C ATOM 499 CG ASN A 32 7.435 0.684 -2.951 1.00 0.00 C ATOM 500 OD1 ASN A 32 8.461 1.069 -2.387 1.00 0.00 O ATOM 501 ND2 ASN A 32 6.649 1.500 -3.642 1.00 0.00 N ATOM 0 H ASN A 32 7.148 -3.402 -2.270 1.00 0.00 H new ATOM 0 HA ASN A 32 8.754 -1.498 -3.886 1.00 0.00 H new ATOM 0 HB2 ASN A 32 6.306 -0.978 -3.690 1.00 0.00 H new ATOM 0 HB3 ASN A 32 6.476 -0.945 -1.946 1.00 0.00 H new ATOM 0 HD21 ASN A 32 6.885 2.489 -3.722 1.00 0.00 H new ATOM 0 HD22 ASN A 32 5.809 1.138 -4.093 1.00 0.00 H new ATOM 508 N SER A 33 10.273 -0.963 -1.980 1.00 0.00 N ATOM 509 CA SER A 33 11.222 -0.770 -0.891 1.00 0.00 C ATOM 510 C SER A 33 10.952 0.520 -0.135 1.00 0.00 C ATOM 511 O SER A 33 10.545 1.529 -0.711 1.00 0.00 O ATOM 512 CB SER A 33 12.658 -0.758 -1.408 1.00 0.00 C ATOM 513 OG SER A 33 12.982 -1.978 -2.053 1.00 0.00 O ATOM 0 H SER A 33 10.584 -0.607 -2.884 1.00 0.00 H new ATOM 0 HA SER A 33 11.092 -1.610 -0.209 1.00 0.00 H new ATOM 0 HB2 SER A 33 12.789 0.070 -2.104 1.00 0.00 H new ATOM 0 HB3 SER A 33 13.344 -0.589 -0.578 1.00 0.00 H new ATOM 0 HG SER A 33 13.907 -1.942 -2.376 1.00 0.00 H new ATOM 519 N LEU A 34 11.192 0.467 1.165 1.00 0.00 N ATOM 520 CA LEU A 34 10.994 1.611 2.039 1.00 0.00 C ATOM 521 C LEU A 34 12.346 2.119 2.545 1.00 0.00 C ATOM 522 O LEU A 34 13.250 1.331 2.826 1.00 0.00 O ATOM 523 CB LEU A 34 10.059 1.214 3.202 1.00 0.00 C ATOM 524 CG LEU A 34 9.995 2.160 4.394 1.00 0.00 C ATOM 525 CD1 LEU A 34 11.143 1.866 5.344 1.00 0.00 C ATOM 526 CD2 LEU A 34 9.999 3.617 3.955 1.00 0.00 C ATOM 0 H LEU A 34 11.529 -0.369 1.643 1.00 0.00 H new ATOM 0 HA LEU A 34 10.521 2.424 1.488 1.00 0.00 H new ATOM 0 HB2 LEU A 34 9.051 1.104 2.803 1.00 0.00 H new ATOM 0 HB3 LEU A 34 10.367 0.233 3.564 1.00 0.00 H new ATOM 0 HG LEU A 34 9.054 1.992 4.918 1.00 0.00 H new ATOM 0 HD11 LEU A 34 11.094 2.545 6.195 1.00 0.00 H new ATOM 0 HD12 LEU A 34 11.070 0.837 5.696 1.00 0.00 H new ATOM 0 HD13 LEU A 34 12.091 2.005 4.824 1.00 0.00 H new ATOM 0 HD21 LEU A 34 9.952 4.262 4.833 1.00 0.00 H new ATOM 0 HD22 LEU A 34 10.913 3.827 3.399 1.00 0.00 H new ATOM 0 HD23 LEU A 34 9.135 3.808 3.319 1.00 0.00 H new ATOM 538 N ALA A 35 12.477 3.436 2.653 1.00 0.00 N ATOM 539 CA ALA A 35 13.703 4.067 3.111 1.00 0.00 C ATOM 540 C ALA A 35 13.919 3.812 4.589 1.00 0.00 C ATOM 541 O ALA A 35 12.989 3.505 5.319 1.00 0.00 O ATOM 542 CB ALA A 35 13.668 5.555 2.838 1.00 0.00 C ATOM 0 H ALA A 35 11.733 4.095 2.424 1.00 0.00 H new ATOM 0 HA ALA A 35 14.535 3.630 2.560 1.00 0.00 H new ATOM 0 HB1 ALA A 35 14.594 6.011 3.188 1.00 0.00 H new ATOM 0 HB2 ALA A 35 13.561 5.726 1.767 1.00 0.00 H new ATOM 0 HB3 ALA A 35 12.823 6.001 3.363 1.00 0.00 H new ATOM 548 N ALA A 36 15.155 3.915 5.023 1.00 0.00 N ATOM 549 CA ALA A 36 15.482 3.648 6.411 1.00 0.00 C ATOM 550 C ALA A 36 14.910 4.724 7.326 1.00 0.00 C ATOM 551 O ALA A 36 15.406 5.848 7.393 1.00 0.00 O ATOM 552 CB ALA A 36 16.992 3.552 6.575 1.00 0.00 C ATOM 0 H ALA A 36 15.949 4.180 4.440 1.00 0.00 H new ATOM 0 HA ALA A 36 15.032 2.697 6.697 1.00 0.00 H new ATOM 0 HB1 ALA A 36 17.233 3.351 7.619 1.00 0.00 H new ATOM 0 HB2 ALA A 36 17.375 2.743 5.953 1.00 0.00 H new ATOM 0 HB3 ALA A 36 17.452 4.493 6.271 1.00 0.00 H new ATOM 558 N VAL A 37 13.837 4.338 8.021 1.00 0.00 N ATOM 559 CA VAL A 37 13.129 5.216 8.945 1.00 0.00 C ATOM 560 C VAL A 37 13.064 4.592 10.336 1.00 0.00 C ATOM 561 O VAL A 37 13.333 3.404 10.504 1.00 0.00 O ATOM 562 CB VAL A 37 11.687 5.477 8.461 1.00 0.00 C ATOM 563 CG1 VAL A 37 11.062 6.645 9.206 1.00 0.00 C ATOM 564 CG2 VAL A 37 11.652 5.711 6.956 1.00 0.00 C ATOM 0 H VAL A 37 13.436 3.402 7.955 1.00 0.00 H new ATOM 0 HA VAL A 37 13.678 6.157 8.985 1.00 0.00 H new ATOM 0 HB VAL A 37 11.096 4.587 8.678 1.00 0.00 H new ATOM 0 HG11 VAL A 37 10.046 6.806 8.844 1.00 0.00 H new ATOM 0 HG12 VAL A 37 11.036 6.424 10.273 1.00 0.00 H new ATOM 0 HG13 VAL A 37 11.654 7.544 9.036 1.00 0.00 H new ATOM 0 HG21 VAL A 37 10.625 5.893 6.640 1.00 0.00 H new ATOM 0 HG22 VAL A 37 12.266 6.577 6.708 1.00 0.00 H new ATOM 0 HG23 VAL A 37 12.040 4.832 6.442 1.00 0.00 H new ATOM 574 N SER A 38 12.697 5.396 11.330 1.00 0.00 N ATOM 575 CA SER A 38 12.591 4.915 12.703 1.00 0.00 C ATOM 576 C SER A 38 11.720 3.663 12.788 1.00 0.00 C ATOM 577 O SER A 38 12.225 2.559 12.992 1.00 0.00 O ATOM 578 CB SER A 38 12.020 6.010 13.607 1.00 0.00 C ATOM 579 OG SER A 38 11.594 5.477 14.848 1.00 0.00 O ATOM 0 H SER A 38 12.468 6.383 11.210 1.00 0.00 H new ATOM 0 HA SER A 38 13.594 4.655 13.043 1.00 0.00 H new ATOM 0 HB2 SER A 38 12.776 6.776 13.777 1.00 0.00 H new ATOM 0 HB3 SER A 38 11.181 6.496 13.109 1.00 0.00 H new ATOM 0 HG SER A 38 11.235 6.197 15.407 1.00 0.00 H new ATOM 585 N GLU A 39 10.409 3.841 12.639 1.00 0.00 N ATOM 586 CA GLU A 39 9.477 2.716 12.708 1.00 0.00 C ATOM 587 C GLU A 39 8.165 3.001 11.971 1.00 0.00 C ATOM 588 O GLU A 39 7.409 2.077 11.672 1.00 0.00 O ATOM 589 CB GLU A 39 9.182 2.369 14.168 1.00 0.00 C ATOM 590 CG GLU A 39 8.553 0.997 14.350 1.00 0.00 C ATOM 591 CD GLU A 39 7.717 0.902 15.612 1.00 0.00 C ATOM 592 OE1 GLU A 39 7.907 1.744 16.515 1.00 0.00 O ATOM 593 OE2 GLU A 39 6.873 -0.015 15.697 1.00 0.00 O ATOM 0 H GLU A 39 9.970 4.746 12.471 1.00 0.00 H new ATOM 0 HA GLU A 39 9.955 1.871 12.213 1.00 0.00 H new ATOM 0 HB2 GLU A 39 10.110 2.413 14.738 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.515 3.124 14.585 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.928 0.770 13.486 1.00 0.00 H new ATOM 0 HG3 GLU A 39 9.339 0.242 14.381 1.00 0.00 H new ATOM 600 N SER A 40 7.892 4.275 11.681 1.00 0.00 N ATOM 601 CA SER A 40 6.665 4.661 10.982 1.00 0.00 C ATOM 602 C SER A 40 6.363 3.715 9.823 1.00 0.00 C ATOM 603 O SER A 40 5.232 3.261 9.657 1.00 0.00 O ATOM 604 CB SER A 40 6.779 6.096 10.465 1.00 0.00 C ATOM 605 OG SER A 40 8.130 6.440 10.204 1.00 0.00 O ATOM 0 H SER A 40 8.503 5.056 11.919 1.00 0.00 H new ATOM 0 HA SER A 40 5.843 4.598 11.695 1.00 0.00 H new ATOM 0 HB2 SER A 40 6.190 6.205 9.554 1.00 0.00 H new ATOM 0 HB3 SER A 40 6.361 6.784 11.199 1.00 0.00 H new ATOM 0 HG SER A 40 8.175 7.361 9.873 1.00 0.00 H new ATOM 611 N GLN A 41 7.389 3.414 9.031 1.00 0.00 N ATOM 612 CA GLN A 41 7.257 2.514 7.886 1.00 0.00 C ATOM 613 C GLN A 41 6.440 1.276 8.248 1.00 0.00 C ATOM 614 O GLN A 41 5.395 1.010 7.655 1.00 0.00 O ATOM 615 CB GLN A 41 8.655 2.120 7.391 1.00 0.00 C ATOM 616 CG GLN A 41 8.867 0.625 7.150 1.00 0.00 C ATOM 617 CD GLN A 41 9.774 -0.004 8.189 1.00 0.00 C ATOM 618 OE1 GLN A 41 9.344 -1.130 8.746 1.00 0.00 O flip ATOM 619 NE2 GLN A 41 10.850 0.514 8.487 1.00 0.00 N flip ATOM 0 H GLN A 41 8.330 3.784 9.163 1.00 0.00 H new ATOM 0 HA GLN A 41 6.724 3.031 7.088 1.00 0.00 H new ATOM 0 HB2 GLN A 41 8.857 2.653 6.462 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.390 2.461 8.120 1.00 0.00 H new ATOM 0 HG2 GLN A 41 7.902 0.118 7.159 1.00 0.00 H new ATOM 0 HG3 GLN A 41 9.296 0.477 6.159 1.00 0.00 H new ATOM 0 HE21 GLN A 41 11.142 1.380 8.034 1.00 0.00 H new ATOM 0 HE22 GLN A 41 11.450 0.077 9.187 1.00 0.00 H new ATOM 628 N LEU A 42 6.942 0.516 9.213 1.00 0.00 N ATOM 629 CA LEU A 42 6.282 -0.710 9.650 1.00 0.00 C ATOM 630 C LEU A 42 4.817 -0.472 9.993 1.00 0.00 C ATOM 631 O LEU A 42 3.933 -1.138 9.459 1.00 0.00 O ATOM 632 CB LEU A 42 7.014 -1.298 10.860 1.00 0.00 C ATOM 633 CG LEU A 42 6.581 -2.711 11.255 1.00 0.00 C ATOM 634 CD1 LEU A 42 7.287 -3.746 10.394 1.00 0.00 C ATOM 635 CD2 LEU A 42 6.862 -2.959 12.729 1.00 0.00 C ATOM 0 H LEU A 42 7.807 0.727 9.710 1.00 0.00 H new ATOM 0 HA LEU A 42 6.318 -1.418 8.822 1.00 0.00 H new ATOM 0 HB2 LEU A 42 8.083 -1.308 10.649 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.864 -0.636 11.713 1.00 0.00 H new ATOM 0 HG LEU A 42 5.508 -2.803 11.089 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.966 -4.745 10.690 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.037 -3.580 9.346 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.365 -3.656 10.528 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.548 -3.969 12.994 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.930 -2.849 12.919 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.310 -2.237 13.331 1.00 0.00 H new ATOM 647 N ALA A 43 4.568 0.468 10.893 1.00 0.00 N ATOM 648 CA ALA A 43 3.211 0.777 11.318 1.00 0.00 C ATOM 649 C ALA A 43 2.356 1.308 10.171 1.00 0.00 C ATOM 650 O ALA A 43 1.156 1.040 10.109 1.00 0.00 O ATOM 651 CB ALA A 43 3.243 1.777 12.458 1.00 0.00 C ATOM 0 H ALA A 43 5.290 1.031 11.344 1.00 0.00 H new ATOM 0 HA ALA A 43 2.752 -0.151 11.659 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.224 2.004 12.771 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.795 1.354 13.297 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.733 2.692 12.126 1.00 0.00 H new ATOM 657 N GLN A 44 2.968 2.066 9.271 1.00 0.00 N ATOM 658 CA GLN A 44 2.239 2.631 8.139 1.00 0.00 C ATOM 659 C GLN A 44 1.800 1.539 7.170 1.00 0.00 C ATOM 660 O GLN A 44 0.682 1.564 6.655 1.00 0.00 O ATOM 661 CB GLN A 44 3.101 3.664 7.408 1.00 0.00 C ATOM 662 CG GLN A 44 2.374 4.969 7.125 1.00 0.00 C ATOM 663 CD GLN A 44 2.077 5.756 8.385 1.00 0.00 C ATOM 664 OE1 GLN A 44 2.974 6.041 9.178 1.00 0.00 O ATOM 665 NE2 GLN A 44 0.811 6.112 8.577 1.00 0.00 N ATOM 0 H GLN A 44 3.960 2.304 9.300 1.00 0.00 H new ATOM 0 HA GLN A 44 1.348 3.124 8.528 1.00 0.00 H new ATOM 0 HB2 GLN A 44 3.988 3.874 8.006 1.00 0.00 H new ATOM 0 HB3 GLN A 44 3.445 3.237 6.466 1.00 0.00 H new ATOM 0 HG2 GLN A 44 2.979 5.579 6.454 1.00 0.00 H new ATOM 0 HG3 GLN A 44 1.440 4.755 6.606 1.00 0.00 H new ATOM 0 HE21 GLN A 44 0.099 5.854 7.893 1.00 0.00 H new ATOM 0 HE22 GLN A 44 0.551 6.643 9.408 1.00 0.00 H new ATOM 674 N LEU A 45 2.690 0.586 6.919 1.00 0.00 N ATOM 675 CA LEU A 45 2.401 -0.511 6.004 1.00 0.00 C ATOM 676 C LEU A 45 1.532 -1.580 6.664 1.00 0.00 C ATOM 677 O LEU A 45 0.734 -2.238 5.998 1.00 0.00 O ATOM 678 CB LEU A 45 3.707 -1.120 5.496 1.00 0.00 C ATOM 679 CG LEU A 45 4.652 -0.120 4.831 1.00 0.00 C ATOM 680 CD1 LEU A 45 5.898 -0.813 4.303 1.00 0.00 C ATOM 681 CD2 LEU A 45 3.938 0.625 3.716 1.00 0.00 C ATOM 0 H LEU A 45 3.620 0.551 7.337 1.00 0.00 H new ATOM 0 HA LEU A 45 1.839 -0.110 5.160 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.224 -1.590 6.332 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.472 -1.910 4.782 1.00 0.00 H new ATOM 0 HG LEU A 45 4.965 0.603 5.584 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.553 -0.078 3.835 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.424 -1.294 5.128 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.612 -1.565 3.567 1.00 0.00 H new ATOM 0 HD21 LEU A 45 4.625 1.333 3.253 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.591 -0.087 2.967 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.084 1.164 4.127 1.00 0.00 H new ATOM 692 N LYS A 46 1.689 -1.748 7.973 1.00 0.00 N ATOM 693 CA LYS A 46 0.910 -2.741 8.709 1.00 0.00 C ATOM 694 C LYS A 46 -0.492 -2.219 9.008 1.00 0.00 C ATOM 695 O LYS A 46 -1.445 -2.992 9.105 1.00 0.00 O ATOM 696 CB LYS A 46 1.615 -3.121 10.014 1.00 0.00 C ATOM 697 CG LYS A 46 2.022 -4.584 10.081 1.00 0.00 C ATOM 698 CD LYS A 46 1.126 -5.373 11.025 1.00 0.00 C ATOM 699 CE LYS A 46 1.899 -5.893 12.227 1.00 0.00 C ATOM 700 NZ LYS A 46 1.486 -7.276 12.596 1.00 0.00 N ATOM 0 H LYS A 46 2.344 -1.214 8.544 1.00 0.00 H new ATOM 0 HA LYS A 46 0.824 -3.630 8.084 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.503 -2.500 10.132 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.955 -2.897 10.852 1.00 0.00 H new ATOM 0 HG2 LYS A 46 1.975 -5.021 9.084 1.00 0.00 H new ATOM 0 HG3 LYS A 46 3.057 -4.659 10.413 1.00 0.00 H new ATOM 0 HD2 LYS A 46 0.307 -4.739 11.365 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.680 -6.210 10.489 1.00 0.00 H new ATOM 0 HE2 LYS A 46 2.966 -5.879 12.006 1.00 0.00 H new ATOM 0 HE3 LYS A 46 1.741 -5.228 13.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 2.036 -7.594 13.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 0.473 -7.285 12.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 1.661 -7.916 11.795 1.00 0.00 H new ATOM 714 N ALA A 47 -0.612 -0.901 9.155 1.00 0.00 N ATOM 715 CA ALA A 47 -1.899 -0.278 9.444 1.00 0.00 C ATOM 716 C ALA A 47 -2.942 -0.657 8.398 1.00 0.00 C ATOM 717 O ALA A 47 -4.136 -0.721 8.691 1.00 0.00 O ATOM 718 CB ALA A 47 -1.747 1.234 9.517 1.00 0.00 C ATOM 0 H ALA A 47 0.166 -0.246 9.079 1.00 0.00 H new ATOM 0 HA ALA A 47 -2.244 -0.646 10.410 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.715 1.687 9.733 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.041 1.491 10.307 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.376 1.609 8.563 1.00 0.00 H new ATOM 724 N ASP A 48 -2.483 -0.908 7.175 1.00 0.00 N ATOM 725 CA ASP A 48 -3.376 -1.280 6.085 1.00 0.00 C ATOM 726 C ASP A 48 -3.489 -2.799 5.972 1.00 0.00 C ATOM 727 O ASP A 48 -2.535 -3.471 5.580 1.00 0.00 O ATOM 728 CB ASP A 48 -2.873 -0.695 4.765 1.00 0.00 C ATOM 729 CG ASP A 48 -3.986 -0.519 3.750 1.00 0.00 C ATOM 730 OD1 ASP A 48 -5.120 -0.195 4.162 1.00 0.00 O ATOM 731 OD2 ASP A 48 -3.724 -0.705 2.543 1.00 0.00 O ATOM 0 H ASP A 48 -1.498 -0.860 6.915 1.00 0.00 H new ATOM 0 HA ASP A 48 -4.364 -0.874 6.301 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -2.402 0.269 4.954 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.106 -1.349 4.350 1.00 0.00 H new ATOM 736 N PRO A 49 -4.661 -3.363 6.316 1.00 0.00 N ATOM 737 CA PRO A 49 -4.888 -4.807 6.251 1.00 0.00 C ATOM 738 C PRO A 49 -5.144 -5.292 4.828 1.00 0.00 C ATOM 739 O PRO A 49 -6.190 -5.873 4.536 1.00 0.00 O ATOM 740 CB PRO A 49 -6.132 -4.993 7.117 1.00 0.00 C ATOM 741 CG PRO A 49 -6.889 -3.723 6.953 1.00 0.00 C ATOM 742 CD PRO A 49 -5.855 -2.639 6.797 1.00 0.00 C ATOM 0 HA PRO A 49 -4.023 -5.379 6.587 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -6.719 -5.851 6.790 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -5.868 -5.167 8.160 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -7.542 -3.768 6.081 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -7.525 -3.534 7.818 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -6.176 -1.878 6.085 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -5.662 -2.131 7.742 1.00 0.00 H new ATOM 750 N ARG A 50 -4.181 -5.051 3.945 1.00 0.00 N ATOM 751 CA ARG A 50 -4.302 -5.464 2.551 1.00 0.00 C ATOM 752 C ARG A 50 -2.968 -5.978 2.016 1.00 0.00 C ATOM 753 O ARG A 50 -2.913 -7.014 1.355 1.00 0.00 O ATOM 754 CB ARG A 50 -4.800 -4.298 1.693 1.00 0.00 C ATOM 755 CG ARG A 50 -5.847 -4.702 0.667 1.00 0.00 C ATOM 756 CD ARG A 50 -6.449 -3.489 -0.025 1.00 0.00 C ATOM 757 NE ARG A 50 -7.910 -3.517 -0.005 1.00 0.00 N ATOM 758 CZ ARG A 50 -8.675 -2.448 -0.214 1.00 0.00 C ATOM 759 NH1 ARG A 50 -8.123 -1.266 -0.460 1.00 0.00 N ATOM 760 NH2 ARG A 50 -9.996 -2.561 -0.179 1.00 0.00 N ATOM 0 H ARG A 50 -3.309 -4.572 4.169 1.00 0.00 H new ATOM 0 HA ARG A 50 -5.027 -6.276 2.500 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -5.219 -3.531 2.345 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -3.951 -3.849 1.177 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -5.395 -5.359 -0.076 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -6.637 -5.272 1.157 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -6.097 -2.581 0.464 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -6.101 -3.451 -1.057 1.00 0.00 H new ATOM 0 HE ARG A 50 -8.371 -4.408 0.180 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -7.108 -1.174 -0.490 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -8.714 -0.450 -0.619 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -10.426 -3.467 0.008 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -10.582 -1.742 -0.339 1.00 0.00 H new ATOM 774 N LEU A 51 -1.893 -5.250 2.309 1.00 0.00 N ATOM 775 CA LEU A 51 -0.562 -5.639 1.859 1.00 0.00 C ATOM 776 C LEU A 51 0.273 -6.151 3.033 1.00 0.00 C ATOM 777 O LEU A 51 -0.176 -6.128 4.179 1.00 0.00 O ATOM 778 CB LEU A 51 0.139 -4.460 1.175 1.00 0.00 C ATOM 779 CG LEU A 51 -0.722 -3.669 0.177 1.00 0.00 C ATOM 780 CD1 LEU A 51 -1.673 -4.590 -0.574 1.00 0.00 C ATOM 781 CD2 LEU A 51 -1.492 -2.570 0.894 1.00 0.00 C ATOM 0 H LEU A 51 -1.919 -4.389 2.855 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.666 -6.446 1.134 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.495 -3.775 1.945 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.018 -4.836 0.652 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.058 -3.207 -0.553 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.270 -4.005 -1.273 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.099 -5.336 -1.123 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.332 -5.090 0.136 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.096 -2.020 0.173 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.142 -3.014 1.649 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.790 -1.888 1.375 1.00 0.00 H new ATOM 793 N VAL A 52 1.480 -6.629 2.741 1.00 0.00 N ATOM 794 CA VAL A 52 2.359 -7.162 3.779 1.00 0.00 C ATOM 795 C VAL A 52 3.570 -6.265 4.018 1.00 0.00 C ATOM 796 O VAL A 52 4.097 -5.654 3.091 1.00 0.00 O ATOM 797 CB VAL A 52 2.848 -8.583 3.417 1.00 0.00 C ATOM 798 CG1 VAL A 52 1.699 -9.422 2.887 1.00 0.00 C ATOM 799 CG2 VAL A 52 3.982 -8.532 2.401 1.00 0.00 C ATOM 0 H VAL A 52 1.871 -6.658 1.799 1.00 0.00 H new ATOM 0 HA VAL A 52 1.769 -7.201 4.694 1.00 0.00 H new ATOM 0 HB VAL A 52 3.230 -9.048 4.326 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.062 -10.419 2.637 1.00 0.00 H new ATOM 0 HG12 VAL A 52 0.923 -9.498 3.648 1.00 0.00 H new ATOM 0 HG13 VAL A 52 1.287 -8.952 1.994 1.00 0.00 H new ATOM 0 HG21 VAL A 52 4.305 -9.546 2.166 1.00 0.00 H new ATOM 0 HG22 VAL A 52 3.634 -8.042 1.492 1.00 0.00 H new ATOM 0 HG23 VAL A 52 4.819 -7.972 2.818 1.00 0.00 H new ATOM 809 N VAL A 53 4.017 -6.209 5.270 1.00 0.00 N ATOM 810 CA VAL A 53 5.181 -5.404 5.633 1.00 0.00 C ATOM 811 C VAL A 53 6.167 -6.220 6.463 1.00 0.00 C ATOM 812 O VAL A 53 5.852 -6.663 7.567 1.00 0.00 O ATOM 813 CB VAL A 53 4.770 -4.130 6.397 1.00 0.00 C ATOM 814 CG1 VAL A 53 3.854 -4.464 7.565 1.00 0.00 C ATOM 815 CG2 VAL A 53 5.990 -3.352 6.872 1.00 0.00 C ATOM 0 H VAL A 53 3.592 -6.711 6.050 1.00 0.00 H new ATOM 0 HA VAL A 53 5.669 -5.100 4.707 1.00 0.00 H new ATOM 0 HB VAL A 53 4.218 -3.495 5.704 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.580 -3.547 8.086 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.954 -4.953 7.193 1.00 0.00 H new ATOM 0 HG13 VAL A 53 4.371 -5.132 8.254 1.00 0.00 H new ATOM 0 HG21 VAL A 53 5.666 -2.459 7.407 1.00 0.00 H new ATOM 0 HG22 VAL A 53 6.585 -3.978 7.537 1.00 0.00 H new ATOM 0 HG23 VAL A 53 6.593 -3.061 6.012 1.00 0.00 H new ATOM 825 N GLN A 54 7.360 -6.423 5.913 1.00 0.00 N ATOM 826 CA GLN A 54 8.397 -7.199 6.592 1.00 0.00 C ATOM 827 C GLN A 54 9.711 -6.427 6.671 1.00 0.00 C ATOM 828 O GLN A 54 10.182 -5.887 5.671 1.00 0.00 O ATOM 829 CB GLN A 54 8.620 -8.529 5.868 1.00 0.00 C ATOM 830 CG GLN A 54 7.332 -9.267 5.539 1.00 0.00 C ATOM 831 CD GLN A 54 7.102 -10.467 6.437 1.00 0.00 C ATOM 832 OE1 GLN A 54 7.531 -11.578 6.130 1.00 0.00 O ATOM 833 NE2 GLN A 54 6.418 -10.247 7.554 1.00 0.00 N ATOM 0 H GLN A 54 7.635 -6.062 4.999 1.00 0.00 H new ATOM 0 HA GLN A 54 8.055 -7.391 7.609 1.00 0.00 H new ATOM 0 HB2 GLN A 54 9.168 -8.343 4.944 1.00 0.00 H new ATOM 0 HB3 GLN A 54 9.248 -9.169 6.488 1.00 0.00 H new ATOM 0 HG2 GLN A 54 6.490 -8.581 5.633 1.00 0.00 H new ATOM 0 HG3 GLN A 54 7.361 -9.596 4.500 1.00 0.00 H new ATOM 0 HE21 GLN A 54 6.081 -9.309 7.769 1.00 0.00 H new ATOM 0 HE22 GLN A 54 6.230 -11.016 8.197 1.00 0.00 H new ATOM 842 N ILE A 55 10.298 -6.389 7.865 1.00 0.00 N ATOM 843 CA ILE A 55 11.560 -5.686 8.080 1.00 0.00 C ATOM 844 C ILE A 55 12.758 -6.592 7.820 1.00 0.00 C ATOM 845 O ILE A 55 12.817 -7.722 8.306 1.00 0.00 O ATOM 846 CB ILE A 55 11.655 -5.137 9.517 1.00 0.00 C ATOM 847 CG1 ILE A 55 11.369 -6.247 10.532 1.00 0.00 C ATOM 848 CG2 ILE A 55 10.690 -3.978 9.705 1.00 0.00 C ATOM 849 CD1 ILE A 55 12.301 -6.229 11.725 1.00 0.00 C ATOM 0 H ILE A 55 9.919 -6.837 8.699 1.00 0.00 H new ATOM 0 HA ILE A 55 11.579 -4.857 7.372 1.00 0.00 H new ATOM 0 HB ILE A 55 12.668 -4.772 9.684 1.00 0.00 H new ATOM 0 HG12 ILE A 55 10.341 -6.152 10.882 1.00 0.00 H new ATOM 0 HG13 ILE A 55 11.448 -7.213 10.034 1.00 0.00 H new ATOM 0 HG21 ILE A 55 10.769 -3.601 10.725 1.00 0.00 H new ATOM 0 HG22 ILE A 55 10.937 -3.181 9.003 1.00 0.00 H new ATOM 0 HG23 ILE A 55 9.671 -4.319 9.522 1.00 0.00 H new ATOM 0 HD11 ILE A 55 12.041 -7.042 12.402 1.00 0.00 H new ATOM 0 HD12 ILE A 55 13.329 -6.355 11.385 1.00 0.00 H new ATOM 0 HD13 ILE A 55 12.205 -5.277 12.247 1.00 0.00 H new ATOM 861 N THR A 56 13.717 -6.080 7.054 1.00 0.00 N ATOM 862 CA THR A 56 14.924 -6.829 6.731 1.00 0.00 C ATOM 863 C THR A 56 16.163 -6.064 7.181 1.00 0.00 C ATOM 864 O THR A 56 16.565 -5.085 6.551 1.00 0.00 O ATOM 865 CB THR A 56 14.996 -7.098 5.226 1.00 0.00 C ATOM 866 OG1 THR A 56 14.863 -5.894 4.494 1.00 0.00 O ATOM 867 CG2 THR A 56 13.927 -8.053 4.738 1.00 0.00 C ATOM 0 H THR A 56 13.680 -5.146 6.645 1.00 0.00 H new ATOM 0 HA THR A 56 14.888 -7.782 7.260 1.00 0.00 H new ATOM 0 HB THR A 56 15.972 -7.554 5.060 1.00 0.00 H new ATOM 0 HG1 THR A 56 15.450 -5.210 4.879 1.00 0.00 H new ATOM 0 HG21 THR A 56 14.034 -8.201 3.663 1.00 0.00 H new ATOM 0 HG22 THR A 56 14.034 -9.010 5.248 1.00 0.00 H new ATOM 0 HG23 THR A 56 12.942 -7.636 4.951 1.00 0.00 H new ATOM 1312 N LEU A 89 -25.712 -3.549 -6.923 1.00 0.00 N ATOM 1313 CA LEU A 89 -25.969 -2.916 -8.212 1.00 0.00 C ATOM 1314 C LEU A 89 -26.213 -3.967 -9.290 1.00 0.00 C ATOM 1315 O LEU A 89 -26.967 -3.739 -10.236 1.00 0.00 O ATOM 1316 CB LEU A 89 -24.791 -2.023 -8.607 1.00 0.00 C ATOM 1317 CG LEU A 89 -24.940 -1.313 -9.954 1.00 0.00 C ATOM 1318 CD1 LEU A 89 -26.212 -0.480 -9.981 1.00 0.00 C ATOM 1319 CD2 LEU A 89 -23.723 -0.442 -10.230 1.00 0.00 C ATOM 0 HA LEU A 89 -26.865 -2.302 -8.119 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -24.649 -1.271 -7.831 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -23.886 -2.631 -8.632 1.00 0.00 H new ATOM 0 HG LEU A 89 -25.010 -2.067 -10.738 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -26.301 0.017 -10.947 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -27.075 -1.128 -9.826 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -26.174 0.269 -9.190 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -23.843 0.057 -11.192 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -23.625 0.306 -9.443 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -22.828 -1.064 -10.253 1.00 0.00 H new ATOM 1331 N ASN A 90 -25.564 -5.119 -9.141 1.00 0.00 N ATOM 1332 CA ASN A 90 -25.701 -6.212 -10.101 1.00 0.00 C ATOM 1333 C ASN A 90 -27.170 -6.508 -10.410 1.00 0.00 C ATOM 1334 O ASN A 90 -27.539 -6.709 -11.566 1.00 0.00 O ATOM 1335 CB ASN A 90 -25.015 -7.473 -9.566 1.00 0.00 C ATOM 1336 CG ASN A 90 -23.879 -7.935 -10.458 1.00 0.00 C ATOM 1337 OD1 ASN A 90 -24.096 -8.633 -11.448 1.00 0.00 O ATOM 1338 ND2 ASN A 90 -22.658 -7.547 -10.108 1.00 0.00 N ATOM 0 H ASN A 90 -24.936 -5.320 -8.363 1.00 0.00 H new ATOM 0 HA ASN A 90 -25.219 -5.902 -11.028 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -24.631 -7.278 -8.565 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -25.750 -8.273 -9.475 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -21.853 -7.828 -10.669 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -22.525 -6.968 -9.279 1.00 0.00 H new ATOM 1345 N THR A 91 -28.003 -6.546 -9.371 1.00 0.00 N ATOM 1346 CA THR A 91 -29.425 -6.833 -9.543 1.00 0.00 C ATOM 1347 C THR A 91 -30.127 -5.782 -10.411 1.00 0.00 C ATOM 1348 O THR A 91 -31.241 -6.012 -10.883 1.00 0.00 O ATOM 1349 CB THR A 91 -30.111 -6.919 -8.180 1.00 0.00 C ATOM 1350 OG1 THR A 91 -29.473 -6.069 -7.243 1.00 0.00 O ATOM 1351 CG2 THR A 91 -30.118 -8.317 -7.600 1.00 0.00 C ATOM 0 H THR A 91 -27.719 -6.382 -8.405 1.00 0.00 H new ATOM 0 HA THR A 91 -29.502 -7.791 -10.057 1.00 0.00 H new ATOM 0 HB THR A 91 -31.142 -6.611 -8.356 1.00 0.00 H new ATOM 0 HG1 THR A 91 -29.621 -5.134 -7.496 1.00 0.00 H new ATOM 0 HG21 THR A 91 -30.620 -8.307 -6.632 1.00 0.00 H new ATOM 0 HG22 THR A 91 -30.647 -8.989 -8.276 1.00 0.00 H new ATOM 0 HG23 THR A 91 -29.092 -8.663 -7.473 1.00 0.00 H new ATOM 1359 N PHE A 92 -29.484 -4.635 -10.630 1.00 0.00 N ATOM 1360 CA PHE A 92 -30.070 -3.581 -11.448 1.00 0.00 C ATOM 1361 C PHE A 92 -29.603 -3.705 -12.895 1.00 0.00 C ATOM 1362 O PHE A 92 -28.464 -3.371 -13.221 1.00 0.00 O ATOM 1363 CB PHE A 92 -29.694 -2.206 -10.891 1.00 0.00 C ATOM 1364 CG PHE A 92 -30.311 -1.913 -9.553 1.00 0.00 C ATOM 1365 CD1 PHE A 92 -29.986 -2.678 -8.445 1.00 0.00 C ATOM 1366 CD2 PHE A 92 -31.214 -0.873 -9.403 1.00 0.00 C ATOM 1367 CE1 PHE A 92 -30.552 -2.411 -7.212 1.00 0.00 C ATOM 1368 CE2 PHE A 92 -31.782 -0.601 -8.173 1.00 0.00 C ATOM 1369 CZ PHE A 92 -31.451 -1.372 -7.076 1.00 0.00 C ATOM 0 H PHE A 92 -28.562 -4.416 -10.253 1.00 0.00 H new ATOM 0 HA PHE A 92 -31.154 -3.688 -11.422 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -28.609 -2.142 -10.804 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -30.003 -1.438 -11.601 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -29.283 -3.492 -8.545 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -31.477 -0.268 -10.258 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -30.291 -3.015 -6.356 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -32.484 0.213 -8.070 1.00 0.00 H new ATOM 0 HZ PHE A 92 -31.894 -1.163 -6.114 1.00 0.00 H new ATOM 1379 N THR A 93 -30.485 -4.201 -13.757 1.00 0.00 N ATOM 1380 CA THR A 93 -30.155 -4.383 -15.165 1.00 0.00 C ATOM 1381 C THR A 93 -30.260 -3.064 -15.941 1.00 0.00 C ATOM 1382 O THR A 93 -29.327 -2.261 -15.933 1.00 0.00 O ATOM 1383 CB THR A 93 -31.057 -5.458 -15.784 1.00 0.00 C ATOM 1384 OG1 THR A 93 -30.829 -6.714 -15.169 1.00 0.00 O ATOM 1385 CG2 THR A 93 -30.849 -5.635 -17.273 1.00 0.00 C ATOM 0 H THR A 93 -31.432 -4.484 -13.505 1.00 0.00 H new ATOM 0 HA THR A 93 -29.119 -4.716 -15.231 1.00 0.00 H new ATOM 0 HB THR A 93 -32.076 -5.110 -15.616 1.00 0.00 H new ATOM 0 HG1 THR A 93 -31.414 -7.388 -15.575 1.00 0.00 H new ATOM 0 HG21 THR A 93 -31.519 -6.410 -17.644 1.00 0.00 H new ATOM 0 HG22 THR A 93 -31.062 -4.696 -17.784 1.00 0.00 H new ATOM 0 HG23 THR A 93 -29.816 -5.926 -17.464 1.00 0.00 H new ATOM 1393 N VAL A 94 -31.389 -2.847 -16.614 1.00 0.00 N ATOM 1394 CA VAL A 94 -31.594 -1.629 -17.392 1.00 0.00 C ATOM 1395 C VAL A 94 -33.038 -1.150 -17.298 1.00 0.00 C ATOM 1396 O VAL A 94 -33.301 0.045 -17.170 1.00 0.00 O ATOM 1397 CB VAL A 94 -31.238 -1.845 -18.876 1.00 0.00 C ATOM 1398 CG1 VAL A 94 -31.251 -0.523 -19.627 1.00 0.00 C ATOM 1399 CG2 VAL A 94 -29.885 -2.529 -19.009 1.00 0.00 C ATOM 0 H VAL A 94 -32.174 -3.498 -16.635 1.00 0.00 H new ATOM 0 HA VAL A 94 -30.933 -0.872 -16.970 1.00 0.00 H new ATOM 0 HB VAL A 94 -31.992 -2.495 -19.319 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -30.997 -0.696 -20.673 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -32.244 -0.078 -19.563 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -30.521 0.154 -19.184 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -29.652 -2.672 -20.064 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -29.117 -1.908 -18.549 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -29.916 -3.497 -18.509 1.00 0.00 H new ATOM 1409 N GLU A 95 -33.971 -2.093 -17.370 1.00 0.00 N ATOM 1410 CA GLU A 95 -35.391 -1.777 -17.301 1.00 0.00 C ATOM 1411 C GLU A 95 -35.837 -1.504 -15.868 1.00 0.00 C ATOM 1412 O GLU A 95 -36.863 -0.866 -15.642 1.00 0.00 O ATOM 1413 CB GLU A 95 -36.219 -2.916 -17.899 1.00 0.00 C ATOM 1414 CG GLU A 95 -36.086 -4.227 -17.141 1.00 0.00 C ATOM 1415 CD GLU A 95 -36.581 -5.416 -17.943 1.00 0.00 C ATOM 1416 OE1 GLU A 95 -37.784 -5.737 -17.847 1.00 0.00 O ATOM 1417 OE2 GLU A 95 -35.765 -6.024 -18.667 1.00 0.00 O ATOM 0 H GLU A 95 -33.767 -3.087 -17.477 1.00 0.00 H new ATOM 0 HA GLU A 95 -35.555 -0.870 -17.882 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -37.268 -2.621 -17.917 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -35.914 -3.072 -18.934 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -35.041 -4.383 -16.873 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -36.648 -4.162 -16.209 1.00 0.00 H new ATOM 1424 N GLN A 96 -35.064 -1.989 -14.903 1.00 0.00 N ATOM 1425 CA GLN A 96 -35.392 -1.789 -13.499 1.00 0.00 C ATOM 1426 C GLN A 96 -35.154 -0.341 -13.114 1.00 0.00 C ATOM 1427 O GLN A 96 -36.023 0.319 -12.552 1.00 0.00 O ATOM 1428 CB GLN A 96 -34.551 -2.718 -12.618 1.00 0.00 C ATOM 1429 CG GLN A 96 -35.369 -3.778 -11.896 1.00 0.00 C ATOM 1430 CD GLN A 96 -35.139 -5.170 -12.447 1.00 0.00 C ATOM 1431 OE1 GLN A 96 -34.889 -6.114 -11.698 1.00 0.00 O ATOM 1432 NE2 GLN A 96 -35.222 -5.305 -13.766 1.00 0.00 N ATOM 0 H GLN A 96 -34.210 -2.521 -15.067 1.00 0.00 H new ATOM 0 HA GLN A 96 -36.445 -2.027 -13.346 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -33.800 -3.209 -13.236 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -34.016 -2.120 -11.881 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -35.117 -3.765 -10.836 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -36.428 -3.531 -11.975 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -35.432 -4.495 -14.349 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -35.076 -6.219 -14.195 1.00 0.00 H new ATOM 1441 N LEU A 97 -33.968 0.142 -13.439 1.00 0.00 N ATOM 1442 CA LEU A 97 -33.588 1.520 -13.146 1.00 0.00 C ATOM 1443 C LEU A 97 -34.647 2.492 -13.642 1.00 0.00 C ATOM 1444 O LEU A 97 -35.200 3.277 -12.874 1.00 0.00 O ATOM 1445 CB LEU A 97 -32.245 1.875 -13.793 1.00 0.00 C ATOM 1446 CG LEU A 97 -31.678 0.842 -14.768 1.00 0.00 C ATOM 1447 CD1 LEU A 97 -31.039 1.526 -15.959 1.00 0.00 C ATOM 1448 CD2 LEU A 97 -30.667 -0.038 -14.061 1.00 0.00 C ATOM 0 H LEU A 97 -33.244 -0.401 -13.909 1.00 0.00 H new ATOM 0 HA LEU A 97 -33.496 1.604 -12.063 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -32.358 2.821 -14.322 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -31.514 2.038 -13.001 1.00 0.00 H new ATOM 0 HG LEU A 97 -32.496 0.220 -15.130 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -30.642 0.774 -16.641 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -31.786 2.127 -16.477 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -30.229 2.170 -15.617 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -30.268 -0.771 -14.763 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -29.853 0.578 -13.678 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -31.151 -0.555 -13.233 1.00 0.00 H new ATOM 1460 N LYS A 98 -34.912 2.436 -14.936 1.00 0.00 N ATOM 1461 CA LYS A 98 -35.897 3.324 -15.546 1.00 0.00 C ATOM 1462 C LYS A 98 -37.266 3.191 -14.882 1.00 0.00 C ATOM 1463 O LYS A 98 -38.009 4.168 -14.788 1.00 0.00 O ATOM 1464 CB LYS A 98 -36.008 3.050 -17.047 1.00 0.00 C ATOM 1465 CG LYS A 98 -36.399 1.622 -17.384 1.00 0.00 C ATOM 1466 CD LYS A 98 -36.225 1.337 -18.868 1.00 0.00 C ATOM 1467 CE LYS A 98 -34.784 1.545 -19.311 1.00 0.00 C ATOM 1468 NZ LYS A 98 -34.281 0.398 -20.117 1.00 0.00 N ATOM 0 H LYS A 98 -34.463 1.790 -15.585 1.00 0.00 H new ATOM 0 HA LYS A 98 -35.553 4.347 -15.396 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -36.744 3.729 -17.477 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -35.052 3.276 -17.519 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -35.789 0.929 -16.804 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -37.436 1.449 -17.098 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -36.528 0.312 -19.080 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -36.882 1.989 -19.444 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -34.713 2.461 -19.898 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -34.150 1.679 -18.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -33.381 0.659 -20.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -34.132 -0.423 -19.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -34.978 0.157 -20.850 1.00 0.00 H new ATOM 1482 N ALA A 99 -37.603 1.988 -14.425 1.00 0.00 N ATOM 1483 CA ALA A 99 -38.894 1.760 -13.781 1.00 0.00 C ATOM 1484 C ALA A 99 -38.860 2.102 -12.299 1.00 0.00 C ATOM 1485 O ALA A 99 -39.890 2.397 -11.693 1.00 0.00 O ATOM 1486 CB ALA A 99 -39.344 0.322 -13.986 1.00 0.00 C ATOM 0 H ALA A 99 -37.007 1.163 -14.487 1.00 0.00 H new ATOM 0 HA ALA A 99 -39.615 2.428 -14.252 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -40.308 0.169 -13.500 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -39.440 0.119 -15.053 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -38.608 -0.355 -13.553 1.00 0.00 H new ATOM 1492 N GLN A 100 -37.675 2.056 -11.726 1.00 0.00 N ATOM 1493 CA GLN A 100 -37.497 2.355 -10.309 1.00 0.00 C ATOM 1494 C GLN A 100 -37.295 3.847 -10.076 1.00 0.00 C ATOM 1495 O GLN A 100 -37.785 4.401 -9.092 1.00 0.00 O ATOM 1496 CB GLN A 100 -36.314 1.569 -9.739 1.00 0.00 C ATOM 1497 CG GLN A 100 -36.616 0.895 -8.411 1.00 0.00 C ATOM 1498 CD GLN A 100 -37.313 -0.439 -8.580 1.00 0.00 C ATOM 1499 OE1 GLN A 100 -36.715 -1.411 -9.043 1.00 0.00 O ATOM 1500 NE2 GLN A 100 -38.586 -0.494 -8.207 1.00 0.00 N ATOM 0 H GLN A 100 -36.814 1.814 -12.217 1.00 0.00 H new ATOM 0 HA GLN A 100 -38.407 2.052 -9.791 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -36.010 0.811 -10.461 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -35.468 2.244 -9.610 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -35.686 0.748 -7.863 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -37.241 1.553 -7.807 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -39.043 0.336 -7.828 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -39.107 -1.366 -8.299 1.00 0.00 H new ATOM 1509 N LEU A 101 -36.570 4.497 -10.982 1.00 0.00 N ATOM 1510 CA LEU A 101 -36.310 5.927 -10.860 1.00 0.00 C ATOM 1511 C LEU A 101 -37.621 6.698 -10.860 1.00 0.00 C ATOM 1512 O LEU A 101 -37.842 7.574 -10.024 1.00 0.00 O ATOM 1513 CB LEU A 101 -35.423 6.422 -12.013 1.00 0.00 C ATOM 1514 CG LEU A 101 -33.923 6.597 -11.710 1.00 0.00 C ATOM 1515 CD1 LEU A 101 -33.341 7.704 -12.573 1.00 0.00 C ATOM 1516 CD2 LEU A 101 -33.669 6.892 -10.234 1.00 0.00 C ATOM 0 H LEU A 101 -36.154 4.059 -11.804 1.00 0.00 H new ATOM 0 HA LEU A 101 -35.787 6.098 -9.919 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -35.522 5.722 -12.843 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -35.814 7.380 -12.355 1.00 0.00 H new ATOM 0 HG LEU A 101 -33.428 5.655 -11.946 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -32.280 7.819 -12.351 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -33.465 7.449 -13.625 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -33.859 8.640 -12.363 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -32.598 7.008 -10.065 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -34.182 7.812 -9.953 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -34.045 6.067 -9.628 1.00 0.00 H new ATOM 1528 N THR A 102 -38.490 6.356 -11.803 1.00 0.00 N ATOM 1529 CA THR A 102 -39.785 7.006 -11.915 1.00 0.00 C ATOM 1530 C THR A 102 -40.639 6.685 -10.701 1.00 0.00 C ATOM 1531 O THR A 102 -41.348 7.547 -10.179 1.00 0.00 O ATOM 1532 CB THR A 102 -40.499 6.562 -13.191 1.00 0.00 C ATOM 1533 OG1 THR A 102 -39.886 5.406 -13.736 1.00 0.00 O ATOM 1534 CG2 THR A 102 -40.506 7.627 -14.263 1.00 0.00 C ATOM 0 H THR A 102 -38.319 5.632 -12.501 1.00 0.00 H new ATOM 0 HA THR A 102 -39.628 8.084 -11.962 1.00 0.00 H new ATOM 0 HB THR A 102 -41.527 6.356 -12.894 1.00 0.00 H new ATOM 0 HG1 THR A 102 -39.113 5.670 -14.278 1.00 0.00 H new ATOM 0 HG21 THR A 102 -41.027 7.253 -15.144 1.00 0.00 H new ATOM 0 HG22 THR A 102 -41.016 8.515 -13.890 1.00 0.00 H new ATOM 0 HG23 THR A 102 -39.480 7.882 -14.529 1.00 0.00 H new ATOM 1542 N GLU A 103 -40.562 5.440 -10.252 1.00 0.00 N ATOM 1543 CA GLU A 103 -41.326 5.008 -9.091 1.00 0.00 C ATOM 1544 C GLU A 103 -40.671 5.479 -7.795 1.00 0.00 C ATOM 1545 O GLU A 103 -41.232 5.320 -6.711 1.00 0.00 O ATOM 1546 CB GLU A 103 -41.481 3.485 -9.085 1.00 0.00 C ATOM 1547 CG GLU A 103 -42.845 3.011 -9.561 1.00 0.00 C ATOM 1548 CD GLU A 103 -43.742 2.580 -8.417 1.00 0.00 C ATOM 1549 OE1 GLU A 103 -43.526 1.475 -7.877 1.00 0.00 O ATOM 1550 OE2 GLU A 103 -44.661 3.348 -8.062 1.00 0.00 O ATOM 0 H GLU A 103 -39.981 4.715 -10.672 1.00 0.00 H new ATOM 0 HA GLU A 103 -42.316 5.460 -9.155 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -40.711 3.047 -9.720 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -41.309 3.114 -8.074 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -43.331 3.813 -10.117 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -42.716 2.177 -10.251 1.00 0.00 H new ATOM 1557 N ARG A 104 -39.486 6.061 -7.919 1.00 0.00 N ATOM 1558 CA ARG A 104 -38.752 6.561 -6.761 1.00 0.00 C ATOM 1559 C ARG A 104 -38.884 8.078 -6.638 1.00 0.00 C ATOM 1560 O ARG A 104 -38.580 8.651 -5.592 1.00 0.00 O ATOM 1561 CB ARG A 104 -37.275 6.176 -6.864 1.00 0.00 C ATOM 1562 CG ARG A 104 -36.950 4.835 -6.226 1.00 0.00 C ATOM 1563 CD ARG A 104 -35.540 4.816 -5.655 1.00 0.00 C ATOM 1564 NE ARG A 104 -35.479 4.121 -4.371 1.00 0.00 N ATOM 1565 CZ ARG A 104 -35.853 4.665 -3.216 1.00 0.00 C ATOM 1566 NH1 ARG A 104 -36.312 5.910 -3.178 1.00 0.00 N ATOM 1567 NH2 ARG A 104 -35.766 3.963 -2.095 1.00 0.00 N ATOM 0 H ARG A 104 -39.010 6.199 -8.811 1.00 0.00 H new ATOM 0 HA ARG A 104 -39.182 6.105 -5.869 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -36.988 6.148 -7.915 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -36.672 6.950 -6.389 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -37.668 4.625 -5.433 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -37.054 4.043 -6.968 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -34.869 4.330 -6.363 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -35.185 5.839 -5.531 1.00 0.00 H new ATOM 0 HE ARG A 104 -35.129 3.163 -4.360 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -36.380 6.455 -4.037 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -36.597 6.321 -2.289 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -35.412 3.007 -2.118 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -36.053 4.379 -1.209 1.00 0.00 H new ATOM 1581 N GLY A 105 -39.336 8.725 -7.709 1.00 0.00 N ATOM 1582 CA GLY A 105 -39.496 10.167 -7.690 1.00 0.00 C ATOM 1583 C GLY A 105 -38.339 10.890 -8.352 1.00 0.00 C ATOM 1584 O GLY A 105 -37.900 11.936 -7.875 1.00 0.00 O ATOM 0 H GLY A 105 -39.594 8.276 -8.588 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -40.424 10.433 -8.197 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -39.588 10.505 -6.658 1.00 0.00 H new ATOM 1588 N ILE A 106 -37.843 10.332 -9.451 1.00 0.00 N ATOM 1589 CA ILE A 106 -36.731 10.932 -10.177 1.00 0.00 C ATOM 1590 C ILE A 106 -36.916 10.789 -11.684 1.00 0.00 C ATOM 1591 O ILE A 106 -36.400 9.853 -12.296 1.00 0.00 O ATOM 1592 CB ILE A 106 -35.387 10.295 -9.775 1.00 0.00 C ATOM 1593 CG1 ILE A 106 -35.262 10.233 -8.251 1.00 0.00 C ATOM 1594 CG2 ILE A 106 -34.229 11.079 -10.374 1.00 0.00 C ATOM 1595 CD1 ILE A 106 -33.996 9.556 -7.776 1.00 0.00 C ATOM 0 H ILE A 106 -38.194 9.465 -9.858 1.00 0.00 H new ATOM 0 HA ILE A 106 -36.717 11.990 -9.913 1.00 0.00 H new ATOM 0 HB ILE A 106 -35.353 9.278 -10.166 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -35.295 11.246 -7.850 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -36.123 9.702 -7.845 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -33.286 10.617 -10.081 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -34.312 11.077 -11.461 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -34.258 12.106 -10.010 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -33.975 9.548 -6.686 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -33.970 8.531 -8.147 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -33.129 10.100 -8.152 1.00 0.00 H new ATOM 1607 N THR A 107 -37.653 11.722 -12.276 1.00 0.00 N ATOM 1608 CA THR A 107 -37.906 11.700 -13.712 1.00 0.00 C ATOM 1609 C THR A 107 -36.603 11.829 -14.496 1.00 0.00 C ATOM 1610 O THR A 107 -35.603 12.326 -13.977 1.00 0.00 O ATOM 1611 CB THR A 107 -38.860 12.830 -14.100 1.00 0.00 C ATOM 1612 OG1 THR A 107 -38.997 12.911 -15.507 1.00 0.00 O ATOM 1613 CG2 THR A 107 -38.413 14.188 -13.602 1.00 0.00 C ATOM 0 H THR A 107 -38.086 12.503 -11.784 1.00 0.00 H new ATOM 0 HA THR A 107 -38.366 10.743 -13.960 1.00 0.00 H new ATOM 0 HB THR A 107 -39.809 12.582 -13.626 1.00 0.00 H new ATOM 0 HG1 THR A 107 -39.352 12.064 -15.850 1.00 0.00 H new ATOM 0 HG21 THR A 107 -39.134 14.945 -13.912 1.00 0.00 H new ATOM 0 HG22 THR A 107 -38.347 14.173 -12.514 1.00 0.00 H new ATOM 0 HG23 THR A 107 -37.435 14.426 -14.021 1.00 0.00 H new ATOM 1621 N PHE A 108 -36.622 11.380 -15.745 1.00 0.00 N ATOM 1622 CA PHE A 108 -35.441 11.446 -16.600 1.00 0.00 C ATOM 1623 C PHE A 108 -35.836 11.531 -18.071 1.00 0.00 C ATOM 1624 O PHE A 108 -36.182 10.525 -18.689 1.00 0.00 O ATOM 1625 CB PHE A 108 -34.548 10.227 -16.368 1.00 0.00 C ATOM 1626 CG PHE A 108 -35.276 8.917 -16.474 1.00 0.00 C ATOM 1627 CD1 PHE A 108 -36.246 8.571 -15.546 1.00 0.00 C ATOM 1628 CD2 PHE A 108 -34.988 8.031 -17.499 1.00 0.00 C ATOM 1629 CE1 PHE A 108 -36.916 7.367 -15.641 1.00 0.00 C ATOM 1630 CE2 PHE A 108 -35.655 6.824 -17.599 1.00 0.00 C ATOM 1631 CZ PHE A 108 -36.620 6.491 -16.668 1.00 0.00 C ATOM 0 H PHE A 108 -37.442 10.966 -16.189 1.00 0.00 H new ATOM 0 HA PHE A 108 -34.886 12.348 -16.340 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -33.734 10.240 -17.093 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -34.095 10.302 -15.379 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -36.480 9.250 -14.740 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -34.234 8.286 -18.229 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -37.671 7.110 -14.913 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -35.422 6.142 -18.404 1.00 0.00 H new ATOM 0 HZ PHE A 108 -37.142 5.548 -16.743 1.00 0.00 H new ATOM 1641 N LYS A 109 -35.779 12.738 -18.624 1.00 0.00 N ATOM 1642 CA LYS A 109 -36.128 12.955 -20.023 1.00 0.00 C ATOM 1643 C LYS A 109 -34.890 13.302 -20.843 1.00 0.00 C ATOM 1644 O LYS A 109 -34.617 12.678 -21.869 1.00 0.00 O ATOM 1645 CB LYS A 109 -37.167 14.074 -20.144 1.00 0.00 C ATOM 1646 CG LYS A 109 -38.577 13.567 -20.401 1.00 0.00 C ATOM 1647 CD LYS A 109 -39.576 14.171 -19.427 1.00 0.00 C ATOM 1648 CE LYS A 109 -39.700 13.332 -18.165 1.00 0.00 C ATOM 1649 NZ LYS A 109 -40.488 12.090 -18.398 1.00 0.00 N ATOM 0 H LYS A 109 -35.494 13.581 -18.125 1.00 0.00 H new ATOM 0 HA LYS A 109 -36.554 12.031 -20.414 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -37.163 14.664 -19.227 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -36.876 14.743 -20.954 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -38.871 13.810 -21.422 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -38.595 12.481 -20.314 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -39.264 15.182 -19.164 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -40.551 14.253 -19.908 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -38.705 13.069 -17.805 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -40.176 13.922 -17.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -40.708 11.642 -17.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -41.373 12.328 -18.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -39.934 11.432 -18.982 1.00 0.00 H new ATOM 1663 N GLN A 110 -34.144 14.302 -20.383 1.00 0.00 N ATOM 1664 CA GLN A 110 -32.934 14.731 -21.074 1.00 0.00 C ATOM 1665 C GLN A 110 -31.749 13.852 -20.686 1.00 0.00 C ATOM 1666 O GLN A 110 -31.131 13.214 -21.539 1.00 0.00 O ATOM 1667 CB GLN A 110 -32.627 16.194 -20.748 1.00 0.00 C ATOM 1668 CG GLN A 110 -33.222 17.177 -21.744 1.00 0.00 C ATOM 1669 CD GLN A 110 -32.232 18.238 -22.182 1.00 0.00 C ATOM 1670 OE1 GLN A 110 -31.310 17.963 -22.950 1.00 0.00 O ATOM 1671 NE2 GLN A 110 -32.418 19.459 -21.694 1.00 0.00 N ATOM 0 H GLN A 110 -34.356 14.829 -19.536 1.00 0.00 H new ATOM 0 HA GLN A 110 -33.102 14.633 -22.147 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -33.007 16.423 -19.753 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -31.546 16.331 -20.716 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -33.575 16.632 -22.619 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -34.091 17.659 -21.297 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -33.196 19.642 -21.060 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -31.783 20.214 -21.953 1.00 0.00 H new ATOM 1680 N SER A 111 -31.439 13.821 -19.394 1.00 0.00 N ATOM 1681 CA SER A 111 -30.329 13.018 -18.894 1.00 0.00 C ATOM 1682 C SER A 111 -30.792 11.600 -18.568 1.00 0.00 C ATOM 1683 O SER A 111 -31.895 11.199 -18.939 1.00 0.00 O ATOM 1684 CB SER A 111 -29.722 13.669 -17.649 1.00 0.00 C ATOM 1685 OG SER A 111 -28.594 12.944 -17.190 1.00 0.00 O ATOM 0 H SER A 111 -31.940 14.342 -18.675 1.00 0.00 H new ATOM 0 HA SER A 111 -29.569 12.964 -19.673 1.00 0.00 H new ATOM 0 HB2 SER A 111 -29.431 14.694 -17.877 1.00 0.00 H new ATOM 0 HB3 SER A 111 -30.472 13.719 -16.859 1.00 0.00 H new ATOM 0 HG SER A 111 -28.015 12.725 -17.949 1.00 0.00 H new ATOM 1691 N ALA A 112 -29.945 10.844 -17.874 1.00 0.00 N ATOM 1692 CA ALA A 112 -30.273 9.472 -17.502 1.00 0.00 C ATOM 1693 C ALA A 112 -30.655 8.647 -18.728 1.00 0.00 C ATOM 1694 O ALA A 112 -31.674 7.957 -18.736 1.00 0.00 O ATOM 1695 CB ALA A 112 -31.397 9.462 -16.475 1.00 0.00 C ATOM 0 H ALA A 112 -29.027 11.159 -17.559 1.00 0.00 H new ATOM 0 HA ALA A 112 -29.388 9.016 -17.057 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -31.634 8.433 -16.205 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -31.082 10.008 -15.586 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -32.281 9.938 -16.899 1.00 0.00 H new ATOM 1701 N THR A 113 -29.828 8.726 -19.767 1.00 0.00 N ATOM 1702 CA THR A 113 -30.076 7.989 -21.001 1.00 0.00 C ATOM 1703 C THR A 113 -30.185 6.491 -20.732 1.00 0.00 C ATOM 1704 O THR A 113 -31.266 5.912 -20.830 1.00 0.00 O ATOM 1705 CB THR A 113 -28.966 8.259 -22.016 1.00 0.00 C ATOM 1706 OG1 THR A 113 -28.334 9.498 -21.752 1.00 0.00 O ATOM 1707 CG2 THR A 113 -29.463 8.291 -23.445 1.00 0.00 C ATOM 0 H THR A 113 -28.980 9.293 -19.778 1.00 0.00 H new ATOM 0 HA THR A 113 -31.025 8.334 -21.413 1.00 0.00 H new ATOM 0 HB THR A 113 -28.266 7.431 -21.908 1.00 0.00 H new ATOM 0 HG1 THR A 113 -27.572 9.355 -21.152 1.00 0.00 H new ATOM 0 HG21 THR A 113 -28.627 8.487 -24.117 1.00 0.00 H new ATOM 0 HG22 THR A 113 -29.912 7.330 -23.696 1.00 0.00 H new ATOM 0 HG23 THR A 113 -30.208 9.079 -23.554 1.00 0.00 H new ATOM 1715 N LYS A 114 -29.061 5.868 -20.389 1.00 0.00 N ATOM 1716 CA LYS A 114 -29.046 4.437 -20.105 1.00 0.00 C ATOM 1717 C LYS A 114 -27.857 4.058 -19.235 1.00 0.00 C ATOM 1718 O LYS A 114 -27.980 3.242 -18.323 1.00 0.00 O ATOM 1719 CB LYS A 114 -29.029 3.631 -21.403 1.00 0.00 C ATOM 1720 CG LYS A 114 -27.921 4.041 -22.361 1.00 0.00 C ATOM 1721 CD LYS A 114 -26.708 3.137 -22.226 1.00 0.00 C ATOM 1722 CE LYS A 114 -25.412 3.921 -22.357 1.00 0.00 C ATOM 1723 NZ LYS A 114 -25.094 4.237 -23.776 1.00 0.00 N ATOM 0 H LYS A 114 -28.155 6.328 -20.301 1.00 0.00 H new ATOM 0 HA LYS A 114 -29.957 4.199 -19.555 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -28.917 2.574 -21.163 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -29.991 3.744 -21.903 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -28.292 4.004 -23.385 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -27.631 5.073 -22.164 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -26.734 2.633 -21.260 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -26.744 2.361 -22.991 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -25.489 4.847 -21.788 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -24.595 3.346 -21.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -24.203 4.772 -23.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -24.995 3.353 -24.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -25.861 4.807 -24.185 1.00 0.00 H new ATOM 1737 N ALA A 115 -26.710 4.658 -19.504 1.00 0.00 N ATOM 1738 CA ALA A 115 -25.522 4.380 -18.717 1.00 0.00 C ATOM 1739 C ALA A 115 -25.528 5.224 -17.449 1.00 0.00 C ATOM 1740 O ALA A 115 -24.865 4.895 -16.465 1.00 0.00 O ATOM 1741 CB ALA A 115 -24.264 4.642 -19.532 1.00 0.00 C ATOM 0 H ALA A 115 -26.577 5.335 -20.255 1.00 0.00 H new ATOM 0 HA ALA A 115 -25.527 3.327 -18.436 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -23.385 4.428 -18.924 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -24.261 4.000 -20.413 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -24.243 5.686 -19.844 1.00 0.00 H new ATOM 1747 N GLU A 116 -26.287 6.315 -17.482 1.00 0.00 N ATOM 1748 CA GLU A 116 -26.389 7.211 -16.341 1.00 0.00 C ATOM 1749 C GLU A 116 -27.460 6.750 -15.357 1.00 0.00 C ATOM 1750 O GLU A 116 -27.279 6.858 -14.145 1.00 0.00 O ATOM 1751 CB GLU A 116 -26.695 8.634 -16.811 1.00 0.00 C ATOM 1752 CG GLU A 116 -25.594 9.247 -17.660 1.00 0.00 C ATOM 1753 CD GLU A 116 -24.517 9.913 -16.828 1.00 0.00 C ATOM 1754 OE1 GLU A 116 -24.759 11.035 -16.332 1.00 0.00 O ATOM 1755 OE2 GLU A 116 -23.432 9.316 -16.671 1.00 0.00 O ATOM 0 H GLU A 116 -26.841 6.598 -18.290 1.00 0.00 H new ATOM 0 HA GLU A 116 -25.429 7.197 -15.825 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -27.622 8.626 -17.384 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -26.864 9.266 -15.940 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -25.142 8.471 -18.278 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -26.030 9.981 -18.338 1.00 0.00 H new ATOM 1762 N LEU A 117 -28.581 6.247 -15.874 1.00 0.00 N ATOM 1763 CA LEU A 117 -29.664 5.795 -15.004 1.00 0.00 C ATOM 1764 C LEU A 117 -29.366 4.431 -14.406 1.00 0.00 C ATOM 1765 O LEU A 117 -29.927 4.070 -13.373 1.00 0.00 O ATOM 1766 CB LEU A 117 -31.030 5.822 -15.720 1.00 0.00 C ATOM 1767 CG LEU A 117 -31.427 4.613 -16.571 1.00 0.00 C ATOM 1768 CD1 LEU A 117 -32.530 5.006 -17.541 1.00 0.00 C ATOM 1769 CD2 LEU A 117 -30.248 4.050 -17.330 1.00 0.00 C ATOM 0 H LEU A 117 -28.761 6.144 -16.873 1.00 0.00 H new ATOM 0 HA LEU A 117 -29.728 6.503 -14.178 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -31.800 5.962 -14.962 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -31.051 6.702 -16.362 1.00 0.00 H new ATOM 0 HG LEU A 117 -31.789 3.835 -15.898 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -32.809 4.142 -18.144 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -33.399 5.354 -16.982 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -32.174 5.804 -18.193 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -30.572 3.194 -17.922 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -29.842 4.815 -17.991 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -29.479 3.734 -16.625 1.00 0.00 H new ATOM 1781 N ILE A 118 -28.458 3.687 -15.025 1.00 0.00 N ATOM 1782 CA ILE A 118 -28.084 2.389 -14.490 1.00 0.00 C ATOM 1783 C ILE A 118 -27.020 2.563 -13.408 1.00 0.00 C ATOM 1784 O ILE A 118 -26.927 1.763 -12.478 1.00 0.00 O ATOM 1785 CB ILE A 118 -27.587 1.415 -15.589 1.00 0.00 C ATOM 1786 CG1 ILE A 118 -27.328 0.026 -14.992 1.00 0.00 C ATOM 1787 CG2 ILE A 118 -26.342 1.940 -16.299 1.00 0.00 C ATOM 1788 CD1 ILE A 118 -26.004 -0.102 -14.263 1.00 0.00 C ATOM 0 H ILE A 118 -27.976 3.956 -15.883 1.00 0.00 H new ATOM 0 HA ILE A 118 -28.979 1.943 -14.056 1.00 0.00 H new ATOM 0 HB ILE A 118 -28.374 1.336 -16.339 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -28.135 -0.216 -14.301 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -27.362 -0.713 -15.793 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -26.029 1.226 -17.061 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -26.568 2.897 -16.770 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -25.539 2.073 -15.574 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -25.900 -1.114 -13.872 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -25.187 0.106 -14.954 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -25.972 0.610 -13.439 1.00 0.00 H new ATOM 1800 N ALA A 119 -26.233 3.635 -13.529 1.00 0.00 N ATOM 1801 CA ALA A 119 -25.190 3.943 -12.557 1.00 0.00 C ATOM 1802 C ALA A 119 -25.740 4.778 -11.404 1.00 0.00 C ATOM 1803 O ALA A 119 -25.264 4.687 -10.272 1.00 0.00 O ATOM 1804 CB ALA A 119 -24.038 4.671 -13.235 1.00 0.00 C ATOM 0 H ALA A 119 -26.302 4.305 -14.295 1.00 0.00 H new ATOM 0 HA ALA A 119 -24.822 3.003 -12.146 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -23.266 4.895 -12.499 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -23.620 4.040 -14.019 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -24.402 5.600 -13.673 1.00 0.00 H new ATOM 1810 N LEU A 120 -26.734 5.610 -11.712 1.00 0.00 N ATOM 1811 CA LEU A 120 -27.346 6.494 -10.721 1.00 0.00 C ATOM 1812 C LEU A 120 -27.724 5.752 -9.445 1.00 0.00 C ATOM 1813 O LEU A 120 -27.348 6.165 -8.349 1.00 0.00 O ATOM 1814 CB LEU A 120 -28.589 7.169 -11.308 1.00 0.00 C ATOM 1815 CG LEU A 120 -28.994 8.480 -10.627 1.00 0.00 C ATOM 1816 CD1 LEU A 120 -28.545 9.674 -11.457 1.00 0.00 C ATOM 1817 CD2 LEU A 120 -30.497 8.522 -10.399 1.00 0.00 C ATOM 0 H LEU A 120 -27.135 5.690 -12.647 1.00 0.00 H new ATOM 0 HA LEU A 120 -26.603 7.248 -10.462 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -28.413 7.365 -12.366 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -29.425 6.472 -11.248 1.00 0.00 H new ATOM 0 HG LEU A 120 -28.499 8.530 -9.657 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -28.841 10.596 -10.958 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -27.461 9.653 -11.567 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -29.011 9.629 -12.441 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -30.765 9.461 -9.914 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -31.012 8.448 -11.357 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -30.792 7.688 -9.762 1.00 0.00 H new ATOM 1829 N PHE A 121 -28.480 4.667 -9.586 1.00 0.00 N ATOM 1830 CA PHE A 121 -28.914 3.888 -8.429 1.00 0.00 C ATOM 1831 C PHE A 121 -27.728 3.443 -7.581 1.00 0.00 C ATOM 1832 O PHE A 121 -27.210 2.338 -7.749 1.00 0.00 O ATOM 1833 CB PHE A 121 -29.715 2.667 -8.875 1.00 0.00 C ATOM 1834 CG PHE A 121 -31.050 3.024 -9.446 1.00 0.00 C ATOM 1835 CD1 PHE A 121 -31.183 3.287 -10.796 1.00 0.00 C ATOM 1836 CD2 PHE A 121 -32.171 3.105 -8.635 1.00 0.00 C ATOM 1837 CE1 PHE A 121 -32.407 3.623 -11.329 1.00 0.00 C ATOM 1838 CE2 PHE A 121 -33.398 3.439 -9.164 1.00 0.00 C ATOM 1839 CZ PHE A 121 -33.516 3.698 -10.513 1.00 0.00 C ATOM 0 H PHE A 121 -28.804 4.308 -10.484 1.00 0.00 H new ATOM 0 HA PHE A 121 -29.549 4.532 -7.820 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -29.142 2.116 -9.621 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -29.856 2.000 -8.024 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -30.318 3.228 -11.440 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -32.081 2.904 -7.578 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -32.499 3.828 -12.385 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -34.266 3.498 -8.524 1.00 0.00 H new ATOM 0 HZ PHE A 121 -34.477 3.960 -10.931 1.00 0.00 H new