USER MOD reduce.3.24.130724 H: found=0, std=0, add=782, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 780 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: C 13 ASN : amide:sc= 0.718 K(o=0.72,f=-5!) USER MOD Set 1.2: C 19 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: C 11 SER OG : rot -86:sc= 0.489 USER MOD Set 2.2: C 21 THR OG1 : rot 180:sc= 0.448 USER MOD Set 3.1: A 29 GLN : amide:sc= -0.0636 K(o=-0.062,f=-5.1!) USER MOD Set 3.2: C 7 LYS NZ :NH3+ -127:sc= 0.00185 (180deg=-0.848) USER MOD Set 4.1: A 13 ASN : amide:sc= 0.189 K(o=0.19,f=-5.2!) USER MOD Set 4.2: A 19 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 11 SER OG : rot 180:sc= 0.37 USER MOD Set 5.2: A 21 THR OG1 : rot -72:sc= 0.401 USER MOD Single : A 1 MET CE :methyl -128:sc= -0.033 (180deg=-0.33) USER MOD Single : A 1 MET N :NH3+ 143:sc= 0.032 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 150:sc= 0.294 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot -160:sc= 0 USER MOD Single : A 28 GLN :FLIP amide:sc= -0.198 F(o=-0.91,f=-0.2) USER MOD Single : A 35 ASN : amide:sc=-0.00993 K(o=-0.0099,f=-1.3) USER MOD Single : A 38 LYS NZ :NH3+ 160:sc= -0.0705 (180deg=-0.444) USER MOD Single : A 43 HIS : no HE2:sc= -1.74 K(o=-1.7,f=-3!) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : C 1 MET CE :methyl -125:sc=-0.00862 (180deg=-0.256) USER MOD Single : C 1 MET N :NH3+ -108:sc= 0.0527 (180deg=0) USER MOD Single : C 5 THR OG1 : rot 140:sc= 0.459 USER MOD Single : C 26 SER OG : rot 24:sc= 0.696 USER MOD Single : C 28 GLN :FLIP amide:sc= -0.292 F(o=-0.8,f=-0.29) USER MOD Single : C 29 GLN : amide:sc= -0.214 K(o=-0.21,f=-6!) USER MOD Single : C 35 ASN : amide:sc= -0.03 K(o=-0.03,f=-1.4) USER MOD Single : C 38 LYS NZ :NH3+ 157:sc= -0.0473 (180deg=-0.362) USER MOD Single : C 43 HIS : no HE2:sc= -2.59 K(o=-2.6,f=-3.8!) USER MOD Single : C 48 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.782 -5.416 -11.457 1.00 0.00 N ATOM 2 CA MET A 1 -5.776 -4.475 -10.324 1.00 0.00 C ATOM 3 C MET A 1 -6.884 -4.815 -9.334 1.00 0.00 C ATOM 4 O MET A 1 -7.958 -5.240 -9.744 1.00 0.00 O ATOM 5 CB MET A 1 -5.977 -3.043 -10.815 1.00 0.00 C ATOM 6 CG MET A 1 -5.680 -2.015 -9.726 1.00 0.00 C ATOM 7 SD MET A 1 -3.922 -1.694 -9.480 1.00 0.00 S ATOM 8 CE MET A 1 -3.710 -0.649 -10.937 1.00 0.00 C ATOM 0 H1 MET A 1 -5.544 -4.907 -12.332 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.080 -6.165 -11.290 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.727 -5.841 -11.550 1.00 0.00 H new ATOM 0 HA MET A 1 -4.809 -4.560 -9.829 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.329 -2.860 -11.672 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.004 -2.919 -11.159 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.178 -1.079 -9.979 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.111 -2.361 -8.786 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.874 -1.018 -11.531 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.620 -0.672 -11.537 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.508 0.375 -10.624 1.00 0.00 H new ATOM 20 N LEU A 2 -6.618 -4.625 -8.042 1.00 0.00 N ATOM 21 CA LEU A 2 -7.610 -4.786 -6.996 1.00 0.00 C ATOM 22 C LEU A 2 -7.539 -3.528 -6.136 1.00 0.00 C ATOM 23 O LEU A 2 -6.524 -3.273 -5.490 1.00 0.00 O ATOM 24 CB LEU A 2 -7.317 -6.087 -6.236 1.00 0.00 C ATOM 25 CG LEU A 2 -8.279 -6.411 -5.087 1.00 0.00 C ATOM 26 CD1 LEU A 2 -7.889 -5.669 -3.813 1.00 0.00 C ATOM 27 CD2 LEU A 2 -9.727 -6.070 -5.434 1.00 0.00 C ATOM 0 H LEU A 2 -5.698 -4.353 -7.696 1.00 0.00 H new ATOM 0 HA LEU A 2 -8.629 -4.883 -7.370 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -7.335 -6.914 -6.946 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -6.305 -6.033 -5.835 1.00 0.00 H new ATOM 0 HG LEU A 2 -8.203 -7.486 -4.922 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -8.590 -5.920 -3.017 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -6.882 -5.962 -3.515 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -7.916 -4.595 -3.995 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -10.371 -6.317 -4.590 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -9.808 -5.005 -5.653 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -10.037 -6.644 -6.307 1.00 0.00 H new ATOM 39 N ILE A 3 -8.617 -2.740 -6.133 1.00 0.00 N ATOM 40 CA ILE A 3 -8.629 -1.442 -5.481 1.00 0.00 C ATOM 41 C ILE A 3 -9.289 -1.546 -4.118 1.00 0.00 C ATOM 42 O ILE A 3 -10.209 -2.339 -3.918 1.00 0.00 O ATOM 43 CB ILE A 3 -9.353 -0.408 -6.363 1.00 0.00 C ATOM 44 CG1 ILE A 3 -8.543 -0.108 -7.628 1.00 0.00 C ATOM 45 CG2 ILE A 3 -9.520 0.918 -5.622 1.00 0.00 C ATOM 46 CD1 ILE A 3 -8.790 -1.127 -8.731 1.00 0.00 C ATOM 0 H ILE A 3 -9.499 -2.988 -6.582 1.00 0.00 H new ATOM 0 HA ILE A 3 -7.601 -1.109 -5.339 1.00 0.00 H new ATOM 0 HB ILE A 3 -10.323 -0.836 -6.616 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -8.799 0.887 -7.992 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -7.481 -0.094 -7.381 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -10.034 1.632 -6.265 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -10.106 0.758 -4.717 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -8.539 1.311 -5.354 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -8.192 -0.869 -9.605 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -8.508 -2.119 -8.379 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -9.846 -1.123 -9.000 1.00 0.00 H new ATOM 58 N LEU A 4 -8.804 -0.723 -3.190 1.00 0.00 N ATOM 59 CA LEU A 4 -9.290 -0.632 -1.832 1.00 0.00 C ATOM 60 C LEU A 4 -9.200 0.815 -1.366 1.00 0.00 C ATOM 61 O LEU A 4 -8.411 1.594 -1.896 1.00 0.00 O ATOM 62 CB LEU A 4 -8.460 -1.539 -0.919 1.00 0.00 C ATOM 63 CG LEU A 4 -8.702 -3.027 -1.197 1.00 0.00 C ATOM 64 CD1 LEU A 4 -7.784 -3.870 -0.321 1.00 0.00 C ATOM 65 CD2 LEU A 4 -10.140 -3.417 -0.864 1.00 0.00 C ATOM 0 H LEU A 4 -8.034 -0.082 -3.379 1.00 0.00 H new ATOM 0 HA LEU A 4 -10.329 -0.959 -1.790 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -7.402 -1.315 -1.053 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -8.702 -1.322 0.121 1.00 0.00 H new ATOM 0 HG LEU A 4 -8.505 -3.203 -2.255 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -7.959 -4.927 -0.522 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -6.745 -3.626 -0.542 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -7.990 -3.661 0.729 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -10.286 -4.477 -1.070 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -10.335 -3.222 0.190 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -10.827 -2.831 -1.475 1.00 0.00 H new ATOM 77 N THR A 5 -10.013 1.167 -0.374 1.00 0.00 N ATOM 78 CA THR A 5 -10.055 2.525 0.139 1.00 0.00 C ATOM 79 C THR A 5 -9.792 2.492 1.636 1.00 0.00 C ATOM 80 O THR A 5 -10.274 1.603 2.340 1.00 0.00 O ATOM 81 CB THR A 5 -11.414 3.154 -0.179 1.00 0.00 C ATOM 82 OG1 THR A 5 -11.683 3.020 -1.555 1.00 0.00 O ATOM 83 CG2 THR A 5 -11.426 4.644 0.141 1.00 0.00 C ATOM 0 H THR A 5 -10.654 0.523 0.090 1.00 0.00 H new ATOM 0 HA THR A 5 -9.287 3.136 -0.335 1.00 0.00 H new ATOM 0 HB THR A 5 -12.161 2.642 0.428 1.00 0.00 H new ATOM 0 HG1 THR A 5 -12.651 2.957 -1.694 1.00 0.00 H new ATOM 0 HG21 THR A 5 -12.405 5.059 -0.096 1.00 0.00 H new ATOM 0 HG22 THR A 5 -11.217 4.790 1.201 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.664 5.150 -0.452 1.00 0.00 H new ATOM 91 N ARG A 6 -9.020 3.463 2.119 1.00 0.00 N ATOM 92 CA ARG A 6 -8.551 3.519 3.491 1.00 0.00 C ATOM 93 C ARG A 6 -8.646 4.955 3.993 1.00 0.00 C ATOM 94 O ARG A 6 -9.069 5.834 3.251 1.00 0.00 O ATOM 95 CB ARG A 6 -7.091 3.040 3.483 1.00 0.00 C ATOM 96 CG ARG A 6 -6.607 2.442 4.802 1.00 0.00 C ATOM 97 CD ARG A 6 -7.336 1.156 5.194 1.00 0.00 C ATOM 98 NE ARG A 6 -8.580 1.406 5.932 1.00 0.00 N ATOM 99 CZ ARG A 6 -9.256 0.473 6.605 1.00 0.00 C ATOM 100 NH1 ARG A 6 -8.829 -0.787 6.654 1.00 0.00 N ATOM 101 NH2 ARG A 6 -10.376 0.800 7.238 1.00 0.00 N ATOM 0 H ARG A 6 -8.699 4.247 1.551 1.00 0.00 H new ATOM 0 HA ARG A 6 -9.150 2.891 4.150 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -6.972 2.294 2.697 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -6.448 3.882 3.224 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -5.539 2.237 4.728 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -6.736 3.179 5.595 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -7.562 0.584 4.294 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -6.675 0.541 5.805 1.00 0.00 H new ATOM 0 HE ARG A 6 -8.952 2.356 5.930 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -7.971 -1.054 6.172 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -9.360 -1.486 7.174 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -10.716 1.761 7.209 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -10.896 0.090 7.754 1.00 0.00 H new ATOM 115 N LYS A 7 -8.259 5.205 5.242 1.00 0.00 N ATOM 116 CA LYS A 7 -8.154 6.553 5.781 1.00 0.00 C ATOM 117 C LYS A 7 -6.979 6.582 6.744 1.00 0.00 C ATOM 118 O LYS A 7 -6.604 5.540 7.286 1.00 0.00 O ATOM 119 CB LYS A 7 -9.483 6.928 6.445 1.00 0.00 C ATOM 120 CG LYS A 7 -9.603 8.405 6.806 1.00 0.00 C ATOM 121 CD LYS A 7 -10.948 8.621 7.503 1.00 0.00 C ATOM 122 CE LYS A 7 -11.164 10.108 7.770 1.00 0.00 C ATOM 123 NZ LYS A 7 -12.465 10.341 8.429 1.00 0.00 N ATOM 0 H LYS A 7 -8.009 4.474 5.908 1.00 0.00 H new ATOM 0 HA LYS A 7 -7.968 7.293 5.002 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -10.300 6.661 5.775 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -9.606 6.333 7.350 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -8.784 8.704 7.460 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -9.536 9.022 5.910 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -11.755 8.234 6.882 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -10.974 8.067 8.441 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -10.360 10.489 8.399 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -11.123 10.660 6.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -12.590 11.359 8.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -13.231 9.997 7.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -12.491 9.831 9.335 1.00 0.00 H new ATOM 137 N VAL A 8 -6.393 7.761 6.958 1.00 0.00 N ATOM 138 CA VAL A 8 -5.172 7.838 7.747 1.00 0.00 C ATOM 139 C VAL A 8 -5.341 7.175 9.108 1.00 0.00 C ATOM 140 O VAL A 8 -6.264 7.486 9.860 1.00 0.00 O ATOM 141 CB VAL A 8 -4.649 9.272 7.850 1.00 0.00 C ATOM 142 CG1 VAL A 8 -4.449 9.799 6.434 1.00 0.00 C ATOM 143 CG2 VAL A 8 -5.559 10.245 8.595 1.00 0.00 C ATOM 0 H VAL A 8 -6.737 8.654 6.604 1.00 0.00 H new ATOM 0 HA VAL A 8 -4.405 7.271 7.219 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.728 9.220 8.430 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -4.076 10.822 6.476 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.728 9.171 5.910 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -5.400 9.781 5.901 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -5.099 11.233 8.613 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -6.522 10.303 8.088 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -5.707 9.895 9.617 1.00 0.00 H new ATOM 153 N GLY A 9 -4.428 6.251 9.412 1.00 0.00 N ATOM 154 CA GLY A 9 -4.411 5.530 10.680 1.00 0.00 C ATOM 155 C GLY A 9 -4.955 4.104 10.574 1.00 0.00 C ATOM 156 O GLY A 9 -5.123 3.447 11.599 1.00 0.00 O ATOM 0 H GLY A 9 -3.675 5.982 8.779 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -3.388 5.494 11.056 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -5.000 6.083 11.412 1.00 0.00 H new ATOM 160 N GLU A 10 -5.232 3.617 9.359 1.00 0.00 N ATOM 161 CA GLU A 10 -5.787 2.278 9.157 1.00 0.00 C ATOM 162 C GLU A 10 -4.850 1.422 8.294 1.00 0.00 C ATOM 163 O GLU A 10 -3.796 1.895 7.870 1.00 0.00 O ATOM 164 CB GLU A 10 -7.170 2.402 8.528 1.00 0.00 C ATOM 165 CG GLU A 10 -8.114 3.270 9.366 1.00 0.00 C ATOM 166 CD GLU A 10 -9.470 3.426 8.680 1.00 0.00 C ATOM 167 OE1 GLU A 10 -9.490 3.556 7.433 1.00 0.00 O ATOM 168 OE2 GLU A 10 -10.489 3.417 9.406 1.00 0.00 O ATOM 0 H GLU A 10 -5.078 4.137 8.495 1.00 0.00 H new ATOM 0 HA GLU A 10 -5.882 1.774 10.119 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -7.076 2.830 7.530 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -7.603 1.409 8.409 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -8.250 2.820 10.350 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.667 4.252 9.523 1.00 0.00 H new ATOM 175 N SER A 11 -5.225 0.163 8.027 1.00 0.00 N ATOM 176 CA SER A 11 -4.331 -0.783 7.364 1.00 0.00 C ATOM 177 C SER A 11 -5.009 -1.636 6.290 1.00 0.00 C ATOM 178 O SER A 11 -6.235 -1.671 6.179 1.00 0.00 O ATOM 179 CB SER A 11 -3.713 -1.704 8.420 1.00 0.00 C ATOM 180 OG SER A 11 -2.964 -0.943 9.343 1.00 0.00 O ATOM 0 H SER A 11 -6.141 -0.219 8.262 1.00 0.00 H new ATOM 0 HA SER A 11 -3.574 -0.189 6.851 1.00 0.00 H new ATOM 0 HB2 SER A 11 -4.498 -2.253 8.940 1.00 0.00 H new ATOM 0 HB3 SER A 11 -3.072 -2.443 7.940 1.00 0.00 H new ATOM 0 HG SER A 11 -2.573 -1.538 10.016 1.00 0.00 H new ATOM 186 N ILE A 12 -4.182 -2.328 5.502 1.00 0.00 N ATOM 187 CA ILE A 12 -4.561 -3.190 4.385 1.00 0.00 C ATOM 188 C ILE A 12 -3.659 -4.427 4.438 1.00 0.00 C ATOM 189 O ILE A 12 -2.604 -4.381 5.072 1.00 0.00 O ATOM 190 CB ILE A 12 -4.389 -2.413 3.064 1.00 0.00 C ATOM 191 CG1 ILE A 12 -5.374 -1.235 2.977 1.00 0.00 C ATOM 192 CG2 ILE A 12 -4.550 -3.315 1.836 1.00 0.00 C ATOM 193 CD1 ILE A 12 -6.833 -1.683 2.895 1.00 0.00 C ATOM 0 H ILE A 12 -3.171 -2.298 5.637 1.00 0.00 H new ATOM 0 HA ILE A 12 -5.604 -3.501 4.447 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.370 -2.025 3.066 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.245 -0.595 3.850 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -5.135 -0.632 2.101 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -4.420 -2.723 0.930 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -3.799 -4.105 1.864 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -5.545 -3.760 1.839 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -7.480 -0.808 2.836 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -6.975 -2.300 2.008 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -7.086 -2.262 3.783 1.00 0.00 H new ATOM 205 N ASN A 13 -4.045 -5.535 3.793 1.00 0.00 N ATOM 206 CA ASN A 13 -3.317 -6.790 3.942 1.00 0.00 C ATOM 207 C ASN A 13 -3.025 -7.469 2.608 1.00 0.00 C ATOM 208 O ASN A 13 -3.775 -7.331 1.641 1.00 0.00 O ATOM 209 CB ASN A 13 -4.148 -7.721 4.828 1.00 0.00 C ATOM 210 CG ASN A 13 -4.498 -7.066 6.155 1.00 0.00 C ATOM 211 OD1 ASN A 13 -5.597 -6.544 6.321 1.00 0.00 O ATOM 212 ND2 ASN A 13 -3.573 -7.092 7.109 1.00 0.00 N ATOM 0 H ASN A 13 -4.851 -5.583 3.169 1.00 0.00 H new ATOM 0 HA ASN A 13 -2.350 -6.571 4.394 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -5.064 -7.999 4.306 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -3.593 -8.641 5.011 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -3.765 -6.669 8.017 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -2.671 -7.535 6.933 1.00 0.00 H new ATOM 219 N ILE A 14 -1.905 -8.210 2.576 1.00 0.00 N ATOM 220 CA ILE A 14 -1.421 -8.936 1.409 1.00 0.00 C ATOM 221 C ILE A 14 -0.815 -10.261 1.865 1.00 0.00 C ATOM 222 O ILE A 14 -0.073 -10.302 2.845 1.00 0.00 O ATOM 223 CB ILE A 14 -0.364 -8.104 0.667 1.00 0.00 C ATOM 224 CG1 ILE A 14 -0.939 -6.742 0.248 1.00 0.00 C ATOM 225 CG2 ILE A 14 0.158 -8.881 -0.548 1.00 0.00 C ATOM 226 CD1 ILE A 14 0.107 -5.864 -0.436 1.00 0.00 C ATOM 0 H ILE A 14 -1.300 -8.318 3.390 1.00 0.00 H new ATOM 0 HA ILE A 14 -2.251 -9.126 0.729 1.00 0.00 H new ATOM 0 HB ILE A 14 0.472 -7.917 1.341 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -1.780 -6.896 -0.428 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.326 -6.226 1.127 1.00 0.00 H new ATOM 0 HG21 ILE A 14 0.907 -8.283 -1.068 1.00 0.00 H new ATOM 0 HG22 ILE A 14 0.607 -9.817 -0.216 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -0.669 -9.096 -1.225 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -0.344 -4.911 -0.715 1.00 0.00 H new ATOM 0 HD12 ILE A 14 0.937 -5.686 0.248 1.00 0.00 H new ATOM 0 HD13 ILE A 14 0.475 -6.367 -1.330 1.00 0.00 H new ATOM 238 N GLY A 15 -1.133 -11.345 1.152 1.00 0.00 N ATOM 239 CA GLY A 15 -0.652 -12.669 1.489 1.00 0.00 C ATOM 240 C GLY A 15 -0.983 -13.006 2.941 1.00 0.00 C ATOM 241 O GLY A 15 -2.016 -12.591 3.465 1.00 0.00 O ATOM 0 H GLY A 15 -1.732 -11.319 0.327 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -1.105 -13.406 0.826 1.00 0.00 H new ATOM 0 HA3 GLY A 15 0.426 -12.721 1.334 1.00 0.00 H new ATOM 245 N ASP A 16 -0.093 -13.760 3.584 1.00 0.00 N ATOM 246 CA ASP A 16 -0.204 -14.110 4.992 1.00 0.00 C ATOM 247 C ASP A 16 1.064 -13.687 5.739 1.00 0.00 C ATOM 248 O ASP A 16 1.304 -14.128 6.861 1.00 0.00 O ATOM 249 CB ASP A 16 -0.516 -15.598 5.147 1.00 0.00 C ATOM 250 CG ASP A 16 0.623 -16.495 4.659 1.00 0.00 C ATOM 251 OD1 ASP A 16 0.873 -16.500 3.431 1.00 0.00 O ATOM 252 OD2 ASP A 16 1.234 -17.169 5.520 1.00 0.00 O ATOM 0 H ASP A 16 0.735 -14.148 3.132 1.00 0.00 H new ATOM 0 HA ASP A 16 -1.036 -13.567 5.441 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -0.720 -15.815 6.196 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.423 -15.835 4.591 1.00 0.00 H new ATOM 257 N ASP A 17 1.878 -12.828 5.112 1.00 0.00 N ATOM 258 CA ASP A 17 3.142 -12.361 5.660 1.00 0.00 C ATOM 259 C ASP A 17 3.336 -10.855 5.473 1.00 0.00 C ATOM 260 O ASP A 17 4.380 -10.340 5.866 1.00 0.00 O ATOM 261 CB ASP A 17 4.299 -13.112 4.996 1.00 0.00 C ATOM 262 CG ASP A 17 4.271 -14.606 5.299 1.00 0.00 C ATOM 263 OD1 ASP A 17 4.487 -14.959 6.481 1.00 0.00 O ATOM 264 OD2 ASP A 17 4.042 -15.384 4.347 1.00 0.00 O ATOM 0 H ASP A 17 1.666 -12.436 4.195 1.00 0.00 H new ATOM 0 HA ASP A 17 3.126 -12.560 6.732 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.255 -12.962 3.917 1.00 0.00 H new ATOM 0 HB3 ASP A 17 5.245 -12.692 5.338 1.00 0.00 H new ATOM 269 N ILE A 18 2.368 -10.136 4.886 1.00 0.00 N ATOM 270 CA ILE A 18 2.543 -8.709 4.641 1.00 0.00 C ATOM 271 C ILE A 18 1.311 -7.913 5.062 1.00 0.00 C ATOM 272 O ILE A 18 0.177 -8.380 4.947 1.00 0.00 O ATOM 273 CB ILE A 18 2.861 -8.443 3.158 1.00 0.00 C ATOM 274 CG1 ILE A 18 4.051 -9.268 2.651 1.00 0.00 C ATOM 275 CG2 ILE A 18 3.177 -6.958 2.945 1.00 0.00 C ATOM 276 CD1 ILE A 18 3.559 -10.561 1.993 1.00 0.00 C ATOM 0 H ILE A 18 1.473 -10.517 4.579 1.00 0.00 H new ATOM 0 HA ILE A 18 3.385 -8.377 5.248 1.00 0.00 H new ATOM 0 HB ILE A 18 1.976 -8.738 2.594 1.00 0.00 H new ATOM 0 HG12 ILE A 18 4.628 -8.684 1.934 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.718 -9.505 3.480 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.400 -6.781 1.893 1.00 0.00 H new ATOM 0 HG22 ILE A 18 2.317 -6.357 3.239 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.039 -6.679 3.551 1.00 0.00 H new ATOM 0 HD11 ILE A 18 4.414 -11.137 1.638 1.00 0.00 H new ATOM 0 HD12 ILE A 18 3.002 -11.151 2.721 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.911 -10.317 1.151 1.00 0.00 H new ATOM 288 N THR A 19 1.559 -6.700 5.553 1.00 0.00 N ATOM 289 CA THR A 19 0.533 -5.739 5.929 1.00 0.00 C ATOM 290 C THR A 19 1.006 -4.351 5.509 1.00 0.00 C ATOM 291 O THR A 19 2.207 -4.116 5.378 1.00 0.00 O ATOM 292 CB THR A 19 0.290 -5.818 7.441 1.00 0.00 C ATOM 293 OG1 THR A 19 -0.165 -7.109 7.780 1.00 0.00 O ATOM 294 CG2 THR A 19 -0.759 -4.819 7.918 1.00 0.00 C ATOM 0 H THR A 19 2.506 -6.353 5.703 1.00 0.00 H new ATOM 0 HA THR A 19 -0.411 -5.957 5.430 1.00 0.00 H new ATOM 0 HB THR A 19 1.239 -5.585 7.923 1.00 0.00 H new ATOM 0 HG1 THR A 19 -0.318 -7.158 8.747 1.00 0.00 H new ATOM 0 HG21 THR A 19 -0.892 -4.918 8.995 1.00 0.00 H new ATOM 0 HG22 THR A 19 -0.430 -3.806 7.684 1.00 0.00 H new ATOM 0 HG23 THR A 19 -1.706 -5.018 7.416 1.00 0.00 H new ATOM 302 N ILE A 20 0.057 -3.439 5.296 1.00 0.00 N ATOM 303 CA ILE A 20 0.320 -2.076 4.862 1.00 0.00 C ATOM 304 C ILE A 20 -0.462 -1.139 5.777 1.00 0.00 C ATOM 305 O ILE A 20 -1.525 -1.509 6.265 1.00 0.00 O ATOM 306 CB ILE A 20 -0.134 -1.909 3.402 1.00 0.00 C ATOM 307 CG1 ILE A 20 0.549 -2.915 2.462 1.00 0.00 C ATOM 308 CG2 ILE A 20 0.116 -0.482 2.909 1.00 0.00 C ATOM 309 CD1 ILE A 20 2.049 -2.673 2.305 1.00 0.00 C ATOM 0 H ILE A 20 -0.935 -3.636 5.424 1.00 0.00 H new ATOM 0 HA ILE A 20 1.384 -1.845 4.917 1.00 0.00 H new ATOM 0 HB ILE A 20 -1.205 -2.110 3.384 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.389 -3.924 2.842 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.075 -2.865 1.482 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -0.214 -0.392 1.874 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -0.440 0.220 3.530 1.00 0.00 H new ATOM 0 HG23 ILE A 20 1.181 -0.257 2.971 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.469 -3.418 1.629 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.216 -1.677 1.896 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.534 -2.752 3.278 1.00 0.00 H new ATOM 321 N THR A 21 0.056 0.067 6.011 1.00 0.00 N ATOM 322 CA THR A 21 -0.585 1.019 6.912 1.00 0.00 C ATOM 323 C THR A 21 -0.417 2.442 6.399 1.00 0.00 C ATOM 324 O THR A 21 0.698 2.884 6.148 1.00 0.00 O ATOM 325 CB THR A 21 0.026 0.893 8.313 1.00 0.00 C ATOM 326 OG1 THR A 21 -0.034 -0.443 8.760 1.00 0.00 O ATOM 327 CG2 THR A 21 -0.722 1.765 9.317 1.00 0.00 C ATOM 0 H THR A 21 0.920 0.406 5.587 1.00 0.00 H new ATOM 0 HA THR A 21 -1.650 0.794 6.958 1.00 0.00 H new ATOM 0 HB THR A 21 1.063 1.220 8.244 1.00 0.00 H new ATOM 0 HG1 THR A 21 -0.962 -0.676 8.971 1.00 0.00 H new ATOM 0 HG21 THR A 21 -0.268 1.657 10.302 1.00 0.00 H new ATOM 0 HG22 THR A 21 -0.667 2.808 9.005 1.00 0.00 H new ATOM 0 HG23 THR A 21 -1.766 1.454 9.362 1.00 0.00 H new ATOM 335 N ILE A 22 -1.531 3.158 6.244 1.00 0.00 N ATOM 336 CA ILE A 22 -1.549 4.545 5.802 1.00 0.00 C ATOM 337 C ILE A 22 -1.329 5.435 7.026 1.00 0.00 C ATOM 338 O ILE A 22 -2.274 5.803 7.716 1.00 0.00 O ATOM 339 CB ILE A 22 -2.871 4.811 5.057 1.00 0.00 C ATOM 340 CG1 ILE A 22 -3.131 6.285 4.738 1.00 0.00 C ATOM 341 CG2 ILE A 22 -4.091 4.290 5.816 1.00 0.00 C ATOM 342 CD1 ILE A 22 -1.937 6.954 4.071 1.00 0.00 C ATOM 0 H ILE A 22 -2.461 2.780 6.426 1.00 0.00 H new ATOM 0 HA ILE A 22 -0.750 4.770 5.096 1.00 0.00 H new ATOM 0 HB ILE A 22 -2.738 4.266 4.122 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -4.000 6.365 4.085 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -3.374 6.816 5.659 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -4.994 4.505 5.245 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -3.999 3.213 5.958 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -4.151 4.780 6.788 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -2.173 7.998 3.866 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -1.073 6.901 4.733 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -1.709 6.443 3.136 1.00 0.00 H new ATOM 354 N LEU A 23 -0.066 5.786 7.297 1.00 0.00 N ATOM 355 CA LEU A 23 0.281 6.484 8.529 1.00 0.00 C ATOM 356 C LEU A 23 -0.291 7.905 8.517 1.00 0.00 C ATOM 357 O LEU A 23 -0.566 8.467 9.575 1.00 0.00 O ATOM 358 CB LEU A 23 1.804 6.540 8.732 1.00 0.00 C ATOM 359 CG LEU A 23 2.576 5.378 8.091 1.00 0.00 C ATOM 360 CD1 LEU A 23 4.069 5.663 8.194 1.00 0.00 C ATOM 361 CD2 LEU A 23 2.277 4.049 8.783 1.00 0.00 C ATOM 0 H LEU A 23 0.724 5.597 6.680 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.155 5.926 9.358 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.178 7.478 8.322 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.015 6.553 9.801 1.00 0.00 H new ATOM 0 HG LEU A 23 2.264 5.296 7.050 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.628 4.844 7.742 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.299 6.591 7.671 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.350 5.758 9.243 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.842 3.252 8.300 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.564 4.113 9.833 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.211 3.833 8.711 1.00 0.00 H new ATOM 373 N GLY A 24 -0.471 8.479 7.323 1.00 0.00 N ATOM 374 CA GLY A 24 -1.081 9.792 7.158 1.00 0.00 C ATOM 375 C GLY A 24 -0.727 10.413 5.812 1.00 0.00 C ATOM 376 O GLY A 24 -0.140 9.755 4.955 1.00 0.00 O ATOM 0 H GLY A 24 -0.195 8.041 6.444 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.164 9.704 7.244 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.750 10.451 7.961 1.00 0.00 H new ATOM 380 N VAL A 25 -1.086 11.688 5.628 1.00 0.00 N ATOM 381 CA VAL A 25 -0.762 12.421 4.411 1.00 0.00 C ATOM 382 C VAL A 25 -0.110 13.761 4.751 1.00 0.00 C ATOM 383 O VAL A 25 -0.076 14.170 5.912 1.00 0.00 O ATOM 384 CB VAL A 25 -1.992 12.612 3.508 1.00 0.00 C ATOM 385 CG1 VAL A 25 -2.813 11.326 3.402 1.00 0.00 C ATOM 386 CG2 VAL A 25 -2.893 13.755 3.979 1.00 0.00 C ATOM 0 H VAL A 25 -1.605 12.233 6.316 1.00 0.00 H new ATOM 0 HA VAL A 25 -0.047 11.823 3.846 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.603 12.872 2.523 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -3.675 11.497 2.757 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.195 10.533 2.980 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.155 11.030 4.394 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.746 13.847 3.307 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.247 13.547 4.988 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -2.328 14.687 3.978 1.00 0.00 H new ATOM 396 N SER A 26 0.403 14.437 3.725 1.00 0.00 N ATOM 397 CA SER A 26 1.100 15.711 3.847 1.00 0.00 C ATOM 398 C SER A 26 0.721 16.585 2.653 1.00 0.00 C ATOM 399 O SER A 26 1.573 17.219 2.032 1.00 0.00 O ATOM 400 CB SER A 26 2.606 15.460 3.876 1.00 0.00 C ATOM 401 OG SER A 26 3.012 14.950 5.131 1.00 0.00 O ATOM 0 H SER A 26 0.343 14.104 2.763 1.00 0.00 H new ATOM 0 HA SER A 26 0.817 16.219 4.769 1.00 0.00 H new ATOM 0 HB2 SER A 26 2.876 14.756 3.089 1.00 0.00 H new ATOM 0 HB3 SER A 26 3.137 16.389 3.668 1.00 0.00 H new ATOM 0 HG SER A 26 3.975 15.093 5.246 1.00 0.00 H new ATOM 407 N GLY A 27 -0.574 16.609 2.337 1.00 0.00 N ATOM 408 CA GLY A 27 -1.089 17.259 1.149 1.00 0.00 C ATOM 409 C GLY A 27 -1.477 16.191 0.131 1.00 0.00 C ATOM 410 O GLY A 27 -1.956 15.124 0.514 1.00 0.00 O ATOM 0 H GLY A 27 -1.296 16.171 2.909 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.954 17.873 1.400 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -0.337 17.926 0.728 1.00 0.00 H new ATOM 414 N GLN A 28 -1.267 16.468 -1.159 1.00 0.00 N ATOM 415 CA GLN A 28 -1.499 15.467 -2.193 1.00 0.00 C ATOM 416 C GLN A 28 -0.396 14.407 -2.201 1.00 0.00 C ATOM 417 O GLN A 28 -0.381 13.535 -3.071 1.00 0.00 O ATOM 418 CB GLN A 28 -1.663 16.138 -3.560 1.00 0.00 C ATOM 419 CG GLN A 28 -3.079 15.873 -4.080 1.00 0.00 C ATOM 420 CD GLN A 28 -4.131 16.492 -3.161 1.00 0.00 C ATOM 421 OE1 GLN A 28 -4.683 15.709 -2.236 1.00 0.00 O flip ATOM 422 NE2 GLN A 28 -4.444 17.672 -3.286 1.00 0.00 N flip ATOM 0 H GLN A 28 -0.940 17.370 -1.506 1.00 0.00 H new ATOM 0 HA GLN A 28 -2.430 14.947 -1.966 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -1.487 17.211 -3.476 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -0.925 15.748 -4.261 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -3.183 16.284 -5.084 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -3.246 14.799 -4.156 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -4.001 18.244 -4.005 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -5.147 18.081 -2.670 1.00 0.00 H new ATOM 431 N GLN A 29 0.517 14.482 -1.229 1.00 0.00 N ATOM 432 CA GLN A 29 1.485 13.431 -0.990 1.00 0.00 C ATOM 433 C GLN A 29 1.033 12.614 0.215 1.00 0.00 C ATOM 434 O GLN A 29 0.309 13.114 1.074 1.00 0.00 O ATOM 435 CB GLN A 29 2.891 14.023 -0.835 1.00 0.00 C ATOM 436 CG GLN A 29 3.163 14.603 0.546 1.00 0.00 C ATOM 437 CD GLN A 29 4.590 15.142 0.624 1.00 0.00 C ATOM 438 OE1 GLN A 29 5.075 15.756 -0.320 1.00 0.00 O ATOM 439 NE2 GLN A 29 5.268 14.916 1.744 1.00 0.00 N ATOM 0 H GLN A 29 0.598 15.275 -0.592 1.00 0.00 H new ATOM 0 HA GLN A 29 1.541 12.755 -1.843 1.00 0.00 H new ATOM 0 HB2 GLN A 29 3.627 13.247 -1.045 1.00 0.00 H new ATOM 0 HB3 GLN A 29 3.031 14.805 -1.581 1.00 0.00 H new ATOM 0 HG2 GLN A 29 2.453 15.402 0.758 1.00 0.00 H new ATOM 0 HG3 GLN A 29 3.015 13.835 1.306 1.00 0.00 H new ATOM 0 HE21 GLN A 29 4.832 14.401 2.509 1.00 0.00 H new ATOM 0 HE22 GLN A 29 6.225 15.257 1.839 1.00 0.00 H new ATOM 448 N VAL A 30 1.456 11.356 0.277 1.00 0.00 N ATOM 449 CA VAL A 30 0.951 10.375 1.223 1.00 0.00 C ATOM 450 C VAL A 30 2.126 9.629 1.843 1.00 0.00 C ATOM 451 O VAL A 30 3.161 9.471 1.200 1.00 0.00 O ATOM 452 CB VAL A 30 0.026 9.412 0.466 1.00 0.00 C ATOM 453 CG1 VAL A 30 -0.545 8.344 1.391 1.00 0.00 C ATOM 454 CG2 VAL A 30 -1.154 10.164 -0.151 1.00 0.00 C ATOM 0 H VAL A 30 2.175 10.985 -0.344 1.00 0.00 H new ATOM 0 HA VAL A 30 0.390 10.856 2.024 1.00 0.00 H new ATOM 0 HB VAL A 30 0.632 8.946 -0.311 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.195 7.680 0.822 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.270 7.767 1.828 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.119 8.820 2.186 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.796 9.461 -0.682 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.726 10.653 0.637 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.782 10.915 -0.849 1.00 0.00 H new ATOM 464 N ARG A 31 1.969 9.171 3.086 1.00 0.00 N ATOM 465 CA ARG A 31 3.022 8.456 3.794 1.00 0.00 C ATOM 466 C ARG A 31 2.465 7.156 4.349 1.00 0.00 C ATOM 467 O ARG A 31 1.483 7.144 5.091 1.00 0.00 O ATOM 468 CB ARG A 31 3.608 9.358 4.881 1.00 0.00 C ATOM 469 CG ARG A 31 4.897 8.750 5.435 1.00 0.00 C ATOM 470 CD ARG A 31 5.639 9.778 6.285 1.00 0.00 C ATOM 471 NE ARG A 31 6.149 10.881 5.457 1.00 0.00 N ATOM 472 CZ ARG A 31 5.713 12.142 5.509 1.00 0.00 C ATOM 473 NH1 ARG A 31 4.731 12.493 6.337 1.00 0.00 N ATOM 474 NH2 ARG A 31 6.262 13.066 4.729 1.00 0.00 N ATOM 0 H ARG A 31 1.111 9.287 3.625 1.00 0.00 H new ATOM 0 HA ARG A 31 3.835 8.197 3.115 1.00 0.00 H new ATOM 0 HB2 ARG A 31 3.811 10.348 4.472 1.00 0.00 H new ATOM 0 HB3 ARG A 31 2.884 9.488 5.685 1.00 0.00 H new ATOM 0 HG2 ARG A 31 4.665 7.870 6.035 1.00 0.00 H new ATOM 0 HG3 ARG A 31 5.533 8.418 4.615 1.00 0.00 H new ATOM 0 HD2 ARG A 31 4.970 10.173 7.050 1.00 0.00 H new ATOM 0 HD3 ARG A 31 6.467 9.296 6.804 1.00 0.00 H new ATOM 0 HE ARG A 31 6.892 10.667 4.792 1.00 0.00 H new ATOM 0 HH11 ARG A 31 4.301 11.794 6.943 1.00 0.00 H new ATOM 0 HH12 ARG A 31 4.409 13.460 6.365 1.00 0.00 H new ATOM 0 HH21 ARG A 31 7.016 12.812 4.091 1.00 0.00 H new ATOM 0 HH22 ARG A 31 5.930 14.030 4.768 1.00 0.00 H new ATOM 488 N ILE A 32 3.116 6.055 3.968 1.00 0.00 N ATOM 489 CA ILE A 32 2.618 4.707 4.186 1.00 0.00 C ATOM 490 C ILE A 32 3.746 3.821 4.695 1.00 0.00 C ATOM 491 O ILE A 32 4.907 4.021 4.343 1.00 0.00 O ATOM 492 CB ILE A 32 2.070 4.194 2.845 1.00 0.00 C ATOM 493 CG1 ILE A 32 0.807 4.976 2.469 1.00 0.00 C ATOM 494 CG2 ILE A 32 1.739 2.698 2.878 1.00 0.00 C ATOM 495 CD1 ILE A 32 0.588 4.972 0.956 1.00 0.00 C ATOM 0 H ILE A 32 4.018 6.082 3.492 1.00 0.00 H new ATOM 0 HA ILE A 32 1.826 4.695 4.935 1.00 0.00 H new ATOM 0 HB ILE A 32 2.853 4.345 2.102 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.058 4.537 2.966 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.892 6.003 2.825 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.356 2.389 1.906 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.640 2.131 3.110 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.985 2.509 3.642 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.315 5.534 0.718 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.444 5.434 0.463 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.479 3.945 0.607 1.00 0.00 H new ATOM 507 N GLY A 33 3.394 2.841 5.525 1.00 0.00 N ATOM 508 CA GLY A 33 4.340 1.899 6.083 1.00 0.00 C ATOM 509 C GLY A 33 4.058 0.508 5.539 1.00 0.00 C ATOM 510 O GLY A 33 2.978 0.238 5.013 1.00 0.00 O ATOM 0 H GLY A 33 2.433 2.684 5.827 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.358 2.199 5.832 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.267 1.896 7.171 1.00 0.00 H new ATOM 514 N ILE A 34 5.044 -0.377 5.670 1.00 0.00 N ATOM 515 CA ILE A 34 4.967 -1.737 5.179 1.00 0.00 C ATOM 516 C ILE A 34 5.486 -2.634 6.289 1.00 0.00 C ATOM 517 O ILE A 34 6.374 -2.246 7.048 1.00 0.00 O ATOM 518 CB ILE A 34 5.807 -1.872 3.901 1.00 0.00 C ATOM 519 CG1 ILE A 34 5.318 -0.870 2.849 1.00 0.00 C ATOM 520 CG2 ILE A 34 5.721 -3.297 3.347 1.00 0.00 C ATOM 521 CD1 ILE A 34 6.209 -0.847 1.606 1.00 0.00 C ATOM 0 H ILE A 34 5.929 -0.159 6.128 1.00 0.00 H new ATOM 0 HA ILE A 34 3.946 -2.019 4.922 1.00 0.00 H new ATOM 0 HB ILE A 34 6.848 -1.659 4.144 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.299 -1.122 2.557 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.286 0.127 3.288 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.323 -3.372 2.441 1.00 0.00 H new ATOM 0 HG22 ILE A 34 6.096 -4.000 4.091 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.683 -3.535 3.114 1.00 0.00 H new ATOM 0 HD11 ILE A 34 5.819 -0.121 0.892 1.00 0.00 H new ATOM 0 HD12 ILE A 34 7.223 -0.567 1.891 1.00 0.00 H new ATOM 0 HD13 ILE A 34 6.220 -1.836 1.148 1.00 0.00 H new ATOM 533 N ASN A 35 4.928 -3.835 6.383 1.00 0.00 N ATOM 534 CA ASN A 35 5.241 -4.745 7.469 1.00 0.00 C ATOM 535 C ASN A 35 5.365 -6.156 6.912 1.00 0.00 C ATOM 536 O ASN A 35 4.376 -6.879 6.795 1.00 0.00 O ATOM 537 CB ASN A 35 4.155 -4.641 8.538 1.00 0.00 C ATOM 538 CG ASN A 35 4.462 -5.491 9.757 1.00 0.00 C ATOM 539 OD1 ASN A 35 5.576 -5.978 9.928 1.00 0.00 O ATOM 540 ND2 ASN A 35 3.471 -5.682 10.620 1.00 0.00 N ATOM 0 H ASN A 35 4.252 -4.200 5.712 1.00 0.00 H new ATOM 0 HA ASN A 35 6.191 -4.484 7.935 1.00 0.00 H new ATOM 0 HB2 ASN A 35 4.046 -3.600 8.842 1.00 0.00 H new ATOM 0 HB3 ASN A 35 3.200 -4.950 8.114 1.00 0.00 H new ATOM 0 HD21 ASN A 35 3.624 -6.248 11.455 1.00 0.00 H new ATOM 0 HD22 ASN A 35 2.557 -5.263 10.448 1.00 0.00 H new ATOM 547 N ALA A 36 6.599 -6.528 6.573 1.00 0.00 N ATOM 548 CA ALA A 36 6.899 -7.815 5.976 1.00 0.00 C ATOM 549 C ALA A 36 8.208 -8.374 6.523 1.00 0.00 C ATOM 550 O ALA A 36 9.059 -7.615 6.991 1.00 0.00 O ATOM 551 CB ALA A 36 7.019 -7.636 4.462 1.00 0.00 C ATOM 0 H ALA A 36 7.419 -5.936 6.708 1.00 0.00 H new ATOM 0 HA ALA A 36 6.099 -8.515 6.217 1.00 0.00 H new ATOM 0 HB1 ALA A 36 7.245 -8.597 3.999 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.078 -7.254 4.065 1.00 0.00 H new ATOM 0 HB3 ALA A 36 7.819 -6.930 4.241 1.00 0.00 H new ATOM 557 N PRO A 37 8.373 -9.702 6.472 1.00 0.00 N ATOM 558 CA PRO A 37 9.615 -10.370 6.800 1.00 0.00 C ATOM 559 C PRO A 37 10.690 -10.081 5.762 1.00 0.00 C ATOM 560 O PRO A 37 10.394 -9.675 4.640 1.00 0.00 O ATOM 561 CB PRO A 37 9.276 -11.863 6.768 1.00 0.00 C ATOM 562 CG PRO A 37 8.059 -11.969 5.857 1.00 0.00 C ATOM 563 CD PRO A 37 7.345 -10.651 6.087 1.00 0.00 C ATOM 0 HA PRO A 37 10.001 -10.035 7.763 1.00 0.00 H new ATOM 0 HB2 PRO A 37 10.110 -12.449 6.383 1.00 0.00 H new ATOM 0 HB3 PRO A 37 9.056 -12.240 7.767 1.00 0.00 H new ATOM 0 HG2 PRO A 37 8.346 -12.096 4.813 1.00 0.00 H new ATOM 0 HG3 PRO A 37 7.431 -12.820 6.120 1.00 0.00 H new ATOM 0 HD2 PRO A 37 6.830 -10.323 5.184 1.00 0.00 H new ATOM 0 HD3 PRO A 37 6.590 -10.747 6.868 1.00 0.00 H new ATOM 571 N LYS A 38 11.950 -10.296 6.147 1.00 0.00 N ATOM 572 CA LYS A 38 13.065 -10.216 5.220 1.00 0.00 C ATOM 573 C LYS A 38 13.006 -11.364 4.215 1.00 0.00 C ATOM 574 O LYS A 38 13.856 -11.469 3.335 1.00 0.00 O ATOM 575 CB LYS A 38 14.380 -10.220 6.001 1.00 0.00 C ATOM 576 CG LYS A 38 14.494 -9.002 6.922 1.00 0.00 C ATOM 577 CD LYS A 38 14.363 -7.704 6.131 1.00 0.00 C ATOM 578 CE LYS A 38 14.690 -6.506 7.018 1.00 0.00 C ATOM 579 NZ LYS A 38 16.099 -6.510 7.452 1.00 0.00 N ATOM 0 H LYS A 38 12.218 -10.528 7.103 1.00 0.00 H new ATOM 0 HA LYS A 38 13.004 -9.285 4.656 1.00 0.00 H new ATOM 0 HB2 LYS A 38 14.449 -11.132 6.594 1.00 0.00 H new ATOM 0 HB3 LYS A 38 15.218 -10.229 5.304 1.00 0.00 H new ATOM 0 HG2 LYS A 38 13.718 -9.046 7.687 1.00 0.00 H new ATOM 0 HG3 LYS A 38 15.453 -9.021 7.439 1.00 0.00 H new ATOM 0 HD2 LYS A 38 15.035 -7.724 5.273 1.00 0.00 H new ATOM 0 HD3 LYS A 38 13.350 -7.609 5.740 1.00 0.00 H new ATOM 0 HE2 LYS A 38 14.480 -5.585 6.475 1.00 0.00 H new ATOM 0 HE3 LYS A 38 14.041 -6.515 7.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 16.373 -5.552 7.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 16.215 -7.168 8.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 16.705 -6.813 6.663 1.00 0.00 H new ATOM 593 N ASP A 39 11.989 -12.220 4.357 1.00 0.00 N ATOM 594 CA ASP A 39 11.682 -13.282 3.421 1.00 0.00 C ATOM 595 C ASP A 39 11.230 -12.699 2.081 1.00 0.00 C ATOM 596 O ASP A 39 11.153 -13.409 1.081 1.00 0.00 O ATOM 597 CB ASP A 39 10.554 -14.117 4.023 1.00 0.00 C ATOM 598 CG ASP A 39 10.472 -15.505 3.391 1.00 0.00 C ATOM 599 OD1 ASP A 39 11.496 -16.221 3.437 1.00 0.00 O ATOM 600 OD2 ASP A 39 9.385 -15.836 2.865 1.00 0.00 O ATOM 0 H ASP A 39 11.347 -12.184 5.149 1.00 0.00 H new ATOM 0 HA ASP A 39 12.567 -13.893 3.244 1.00 0.00 H new ATOM 0 HB2 ASP A 39 10.709 -14.216 5.097 1.00 0.00 H new ATOM 0 HB3 ASP A 39 9.605 -13.599 3.885 1.00 0.00 H new ATOM 605 N VAL A 40 10.930 -11.394 2.072 1.00 0.00 N ATOM 606 CA VAL A 40 10.453 -10.682 0.894 1.00 0.00 C ATOM 607 C VAL A 40 11.107 -9.306 0.819 1.00 0.00 C ATOM 608 O VAL A 40 11.619 -8.789 1.815 1.00 0.00 O ATOM 609 CB VAL A 40 8.919 -10.560 0.924 1.00 0.00 C ATOM 610 CG1 VAL A 40 8.268 -11.910 1.235 1.00 0.00 C ATOM 611 CG2 VAL A 40 8.444 -9.558 1.974 1.00 0.00 C ATOM 0 H VAL A 40 11.015 -10.801 2.897 1.00 0.00 H new ATOM 0 HA VAL A 40 10.728 -11.246 0.003 1.00 0.00 H new ATOM 0 HB VAL A 40 8.623 -10.213 -0.066 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.184 -11.796 1.250 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.546 -12.633 0.468 1.00 0.00 H new ATOM 0 HG13 VAL A 40 8.610 -12.263 2.208 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.355 -9.504 1.960 1.00 0.00 H new ATOM 0 HG22 VAL A 40 8.779 -9.879 2.961 1.00 0.00 H new ATOM 0 HG23 VAL A 40 8.859 -8.575 1.752 1.00 0.00 H new ATOM 621 N ALA A 41 11.095 -8.705 -0.374 1.00 0.00 N ATOM 622 CA ALA A 41 11.706 -7.406 -0.604 1.00 0.00 C ATOM 623 C ALA A 41 10.633 -6.352 -0.844 1.00 0.00 C ATOM 624 O ALA A 41 9.576 -6.660 -1.393 1.00 0.00 O ATOM 625 CB ALA A 41 12.625 -7.521 -1.819 1.00 0.00 C ATOM 0 H ALA A 41 10.660 -9.110 -1.203 1.00 0.00 H new ATOM 0 HA ALA A 41 12.282 -7.102 0.270 1.00 0.00 H new ATOM 0 HB1 ALA A 41 13.096 -6.557 -2.012 1.00 0.00 H new ATOM 0 HB2 ALA A 41 13.394 -8.268 -1.624 1.00 0.00 H new ATOM 0 HB3 ALA A 41 12.041 -7.820 -2.690 1.00 0.00 H new ATOM 631 N VAL A 42 10.903 -5.113 -0.433 1.00 0.00 N ATOM 632 CA VAL A 42 9.971 -4.009 -0.644 1.00 0.00 C ATOM 633 C VAL A 42 10.750 -2.732 -0.949 1.00 0.00 C ATOM 634 O VAL A 42 11.635 -2.349 -0.184 1.00 0.00 O ATOM 635 CB VAL A 42 9.060 -3.820 0.583 1.00 0.00 C ATOM 636 CG1 VAL A 42 8.201 -5.063 0.810 1.00 0.00 C ATOM 637 CG2 VAL A 42 9.827 -3.555 1.876 1.00 0.00 C ATOM 0 H VAL A 42 11.762 -4.850 0.049 1.00 0.00 H new ATOM 0 HA VAL A 42 9.332 -4.242 -1.495 1.00 0.00 H new ATOM 0 HB VAL A 42 8.450 -2.946 0.355 1.00 0.00 H new ATOM 0 HG11 VAL A 42 7.564 -4.911 1.681 1.00 0.00 H new ATOM 0 HG12 VAL A 42 7.579 -5.241 -0.068 1.00 0.00 H new ATOM 0 HG13 VAL A 42 8.846 -5.925 0.978 1.00 0.00 H new ATOM 0 HG21 VAL A 42 9.122 -3.432 2.698 1.00 0.00 H new ATOM 0 HG22 VAL A 42 10.487 -4.397 2.087 1.00 0.00 H new ATOM 0 HG23 VAL A 42 10.420 -2.647 1.768 1.00 0.00 H new ATOM 647 N HIS A 43 10.427 -2.067 -2.064 1.00 0.00 N ATOM 648 CA HIS A 43 11.085 -0.816 -2.424 1.00 0.00 C ATOM 649 C HIS A 43 10.214 0.016 -3.352 1.00 0.00 C ATOM 650 O HIS A 43 9.247 -0.483 -3.925 1.00 0.00 O ATOM 651 CB HIS A 43 12.417 -1.064 -3.144 1.00 0.00 C ATOM 652 CG HIS A 43 13.236 -2.226 -2.646 1.00 0.00 C ATOM 653 ND1 HIS A 43 14.289 -2.127 -1.734 1.00 0.00 N ATOM 654 CD2 HIS A 43 13.076 -3.531 -3.013 1.00 0.00 C ATOM 655 CE1 HIS A 43 14.746 -3.383 -1.577 1.00 0.00 C ATOM 656 NE2 HIS A 43 14.036 -4.243 -2.332 1.00 0.00 N ATOM 0 H HIS A 43 9.716 -2.376 -2.727 1.00 0.00 H new ATOM 0 HA HIS A 43 11.260 -0.285 -1.488 1.00 0.00 H new ATOM 0 HB2 HIS A 43 12.210 -1.219 -4.203 1.00 0.00 H new ATOM 0 HB3 HIS A 43 13.022 -0.160 -3.067 1.00 0.00 H new ATOM 0 HD1 HIS A 43 14.638 -1.282 -1.282 1.00 0.00 H new ATOM 0 HD2 HIS A 43 12.342 -3.926 -3.700 1.00 0.00 H new ATOM 0 HE1 HIS A 43 15.568 -3.663 -0.935 1.00 0.00 H new ATOM 664 N ARG A 44 10.562 1.299 -3.497 1.00 0.00 N ATOM 665 CA ARG A 44 9.943 2.170 -4.485 1.00 0.00 C ATOM 666 C ARG A 44 10.450 1.776 -5.868 1.00 0.00 C ATOM 667 O ARG A 44 11.531 1.199 -5.982 1.00 0.00 O ATOM 668 CB ARG A 44 10.273 3.620 -4.120 1.00 0.00 C ATOM 669 CG ARG A 44 9.659 4.637 -5.084 1.00 0.00 C ATOM 670 CD ARG A 44 9.839 6.044 -4.516 1.00 0.00 C ATOM 671 NE ARG A 44 9.366 7.060 -5.461 1.00 0.00 N ATOM 672 CZ ARG A 44 10.155 7.738 -6.300 1.00 0.00 C ATOM 673 NH1 ARG A 44 11.471 7.539 -6.310 1.00 0.00 N ATOM 674 NH2 ARG A 44 9.622 8.623 -7.136 1.00 0.00 N ATOM 0 H ARG A 44 11.278 1.755 -2.932 1.00 0.00 H new ATOM 0 HA ARG A 44 8.858 2.070 -4.496 1.00 0.00 H new ATOM 0 HB2 ARG A 44 9.916 3.824 -3.110 1.00 0.00 H new ATOM 0 HB3 ARG A 44 11.355 3.748 -4.108 1.00 0.00 H new ATOM 0 HG2 ARG A 44 10.136 4.563 -6.061 1.00 0.00 H new ATOM 0 HG3 ARG A 44 8.600 4.424 -5.230 1.00 0.00 H new ATOM 0 HD2 ARG A 44 9.292 6.133 -3.578 1.00 0.00 H new ATOM 0 HD3 ARG A 44 10.891 6.216 -4.289 1.00 0.00 H new ATOM 0 HE ARG A 44 8.367 7.263 -5.479 1.00 0.00 H new ATOM 0 HH11 ARG A 44 11.889 6.862 -5.672 1.00 0.00 H new ATOM 0 HH12 ARG A 44 12.061 8.063 -6.956 1.00 0.00 H new ATOM 0 HH21 ARG A 44 8.615 8.783 -7.136 1.00 0.00 H new ATOM 0 HH22 ARG A 44 10.220 9.143 -7.778 1.00 0.00 H new ATOM 688 N GLU A 45 9.687 2.085 -6.919 1.00 0.00 N ATOM 689 CA GLU A 45 10.056 1.745 -8.293 1.00 0.00 C ATOM 690 C GLU A 45 11.459 2.236 -8.652 1.00 0.00 C ATOM 691 O GLU A 45 12.094 1.666 -9.533 1.00 0.00 O ATOM 692 CB GLU A 45 9.039 2.375 -9.251 1.00 0.00 C ATOM 693 CG GLU A 45 7.705 1.621 -9.270 1.00 0.00 C ATOM 694 CD GLU A 45 7.782 0.316 -10.070 1.00 0.00 C ATOM 695 OE1 GLU A 45 8.868 0.014 -10.613 1.00 0.00 O ATOM 696 OE2 GLU A 45 6.739 -0.371 -10.134 1.00 0.00 O ATOM 0 H GLU A 45 8.797 2.577 -6.841 1.00 0.00 H new ATOM 0 HA GLU A 45 10.054 0.659 -8.383 1.00 0.00 H new ATOM 0 HB2 GLU A 45 8.863 3.410 -8.959 1.00 0.00 H new ATOM 0 HB3 GLU A 45 9.456 2.394 -10.258 1.00 0.00 H new ATOM 0 HG2 GLU A 45 7.402 1.399 -8.247 1.00 0.00 H new ATOM 0 HG3 GLU A 45 6.935 2.262 -9.699 1.00 0.00 H new ATOM 703 N GLU A 46 11.961 3.280 -7.986 1.00 0.00 N ATOM 704 CA GLU A 46 13.272 3.830 -8.314 1.00 0.00 C ATOM 705 C GLU A 46 14.407 2.993 -7.717 1.00 0.00 C ATOM 706 O GLU A 46 15.504 2.980 -8.266 1.00 0.00 O ATOM 707 CB GLU A 46 13.334 5.273 -7.815 1.00 0.00 C ATOM 708 CG GLU A 46 14.586 5.991 -8.317 1.00 0.00 C ATOM 709 CD GLU A 46 14.619 7.449 -7.859 1.00 0.00 C ATOM 710 OE1 GLU A 46 13.578 8.131 -8.008 1.00 0.00 O ATOM 711 OE2 GLU A 46 15.688 7.868 -7.360 1.00 0.00 O ATOM 0 H GLU A 46 11.481 3.756 -7.222 1.00 0.00 H new ATOM 0 HA GLU A 46 13.406 3.806 -9.395 1.00 0.00 H new ATOM 0 HB2 GLU A 46 12.447 5.812 -8.148 1.00 0.00 H new ATOM 0 HB3 GLU A 46 13.322 5.282 -6.725 1.00 0.00 H new ATOM 0 HG2 GLU A 46 15.474 5.474 -7.952 1.00 0.00 H new ATOM 0 HG3 GLU A 46 14.618 5.950 -9.406 1.00 0.00 H new ATOM 718 N ILE A 47 14.158 2.295 -6.601 1.00 0.00 N ATOM 719 CA ILE A 47 15.148 1.422 -5.990 1.00 0.00 C ATOM 720 C ILE A 47 14.977 0.033 -6.590 1.00 0.00 C ATOM 721 O ILE A 47 15.948 -0.700 -6.768 1.00 0.00 O ATOM 722 CB ILE A 47 14.916 1.359 -4.470 1.00 0.00 C ATOM 723 CG1 ILE A 47 15.428 2.596 -3.733 1.00 0.00 C ATOM 724 CG2 ILE A 47 15.651 0.166 -3.857 1.00 0.00 C ATOM 725 CD1 ILE A 47 14.765 3.889 -4.204 1.00 0.00 C ATOM 0 H ILE A 47 13.267 2.324 -6.105 1.00 0.00 H new ATOM 0 HA ILE A 47 16.154 1.798 -6.175 1.00 0.00 H new ATOM 0 HB ILE A 47 13.835 1.280 -4.353 1.00 0.00 H new ATOM 0 HG12 ILE A 47 15.254 2.473 -2.664 1.00 0.00 H new ATOM 0 HG13 ILE A 47 16.506 2.675 -3.873 1.00 0.00 H new ATOM 0 HG21 ILE A 47 15.472 0.142 -2.782 1.00 0.00 H new ATOM 0 HG22 ILE A 47 15.285 -0.757 -4.306 1.00 0.00 H new ATOM 0 HG23 ILE A 47 16.720 0.262 -4.045 1.00 0.00 H new ATOM 0 HD11 ILE A 47 15.171 4.731 -3.643 1.00 0.00 H new ATOM 0 HD12 ILE A 47 14.961 4.032 -5.267 1.00 0.00 H new ATOM 0 HD13 ILE A 47 13.689 3.827 -4.039 1.00 0.00 H new ATOM 737 N TYR A 48 13.732 -0.318 -6.904 1.00 0.00 N ATOM 738 CA TYR A 48 13.372 -1.629 -7.400 1.00 0.00 C ATOM 739 C TYR A 48 14.111 -1.985 -8.687 1.00 0.00 C ATOM 740 O TYR A 48 14.404 -3.148 -8.943 1.00 0.00 O ATOM 741 CB TYR A 48 11.873 -1.655 -7.646 1.00 0.00 C ATOM 742 CG TYR A 48 11.421 -2.983 -8.179 1.00 0.00 C ATOM 743 CD1 TYR A 48 11.180 -4.049 -7.301 1.00 0.00 C ATOM 744 CD2 TYR A 48 11.260 -3.146 -9.562 1.00 0.00 C ATOM 745 CE1 TYR A 48 10.781 -5.292 -7.809 1.00 0.00 C ATOM 746 CE2 TYR A 48 10.870 -4.388 -10.075 1.00 0.00 C ATOM 747 CZ TYR A 48 10.624 -5.468 -9.201 1.00 0.00 C ATOM 748 OH TYR A 48 10.238 -6.676 -9.698 1.00 0.00 O ATOM 0 H TYR A 48 12.938 0.316 -6.817 1.00 0.00 H new ATOM 0 HA TYR A 48 13.658 -2.369 -6.652 1.00 0.00 H new ATOM 0 HB2 TYR A 48 11.348 -1.438 -6.716 1.00 0.00 H new ATOM 0 HB3 TYR A 48 11.607 -0.869 -8.353 1.00 0.00 H new ATOM 0 HD1 TYR A 48 11.302 -3.912 -6.237 1.00 0.00 H new ATOM 0 HD2 TYR A 48 11.436 -2.315 -10.229 1.00 0.00 H new ATOM 0 HE1 TYR A 48 10.594 -6.116 -7.136 1.00 0.00 H new ATOM 0 HE2 TYR A 48 10.757 -4.520 -11.141 1.00 0.00 H new ATOM 0 HH TYR A 48 10.177 -6.624 -10.675 1.00 0.00 H new ATOM 1605 N MET C 1 8.720 -2.179 10.594 1.00 0.00 N ATOM 1606 CA MET C 1 8.020 -1.370 9.577 1.00 0.00 C ATOM 1607 C MET C 1 9.020 -0.746 8.615 1.00 0.00 C ATOM 1608 O MET C 1 10.148 -0.446 9.000 1.00 0.00 O ATOM 1609 CB MET C 1 7.202 -0.261 10.244 1.00 0.00 C ATOM 1610 CG MET C 1 6.212 0.407 9.293 1.00 0.00 C ATOM 1611 SD MET C 1 4.644 -0.465 9.122 1.00 0.00 S ATOM 1612 CE MET C 1 3.945 0.107 10.688 1.00 0.00 C ATOM 0 H1 MET C 1 8.555 -3.189 10.408 1.00 0.00 H new ATOM 0 H2 MET C 1 9.740 -1.981 10.553 1.00 0.00 H new ATOM 0 H3 MET C 1 8.358 -1.938 11.539 1.00 0.00 H new ATOM 0 HA MET C 1 7.350 -2.028 9.024 1.00 0.00 H new ATOM 0 HB2 MET C 1 6.658 -0.678 11.091 1.00 0.00 H new ATOM 0 HB3 MET C 1 7.880 0.494 10.642 1.00 0.00 H new ATOM 0 HG2 MET C 1 6.015 1.420 9.645 1.00 0.00 H new ATOM 0 HG3 MET C 1 6.674 0.496 8.310 1.00 0.00 H new ATOM 0 HE1 MET C 1 3.641 -0.752 11.286 1.00 0.00 H new ATOM 0 HE2 MET C 1 4.694 0.682 11.232 1.00 0.00 H new ATOM 0 HE3 MET C 1 3.077 0.737 10.491 1.00 0.00 H new ATOM 1624 N LEU C 2 8.610 -0.549 7.364 1.00 0.00 N ATOM 1625 CA LEU C 2 9.413 0.114 6.351 1.00 0.00 C ATOM 1626 C LEU C 2 8.521 1.160 5.686 1.00 0.00 C ATOM 1627 O LEU C 2 7.514 0.815 5.075 1.00 0.00 O ATOM 1628 CB LEU C 2 9.943 -0.961 5.394 1.00 0.00 C ATOM 1629 CG LEU C 2 10.852 -0.461 4.266 1.00 0.00 C ATOM 1630 CD1 LEU C 2 10.031 0.015 3.072 1.00 0.00 C ATOM 1631 CD2 LEU C 2 11.780 0.661 4.730 1.00 0.00 C ATOM 0 H LEU C 2 7.697 -0.852 7.025 1.00 0.00 H new ATOM 0 HA LEU C 2 10.284 0.634 6.750 1.00 0.00 H new ATOM 0 HB2 LEU C 2 10.492 -1.700 5.977 1.00 0.00 H new ATOM 0 HB3 LEU C 2 9.092 -1.475 4.948 1.00 0.00 H new ATOM 0 HG LEU C 2 11.468 -1.308 3.964 1.00 0.00 H new ATOM 0 HD11 LEU C 2 10.701 0.364 2.286 1.00 0.00 H new ATOM 0 HD12 LEU C 2 9.427 -0.810 2.694 1.00 0.00 H new ATOM 0 HD13 LEU C 2 9.378 0.831 3.382 1.00 0.00 H new ATOM 0 HD21 LEU C 2 12.405 0.984 3.898 1.00 0.00 H new ATOM 0 HD22 LEU C 2 11.185 1.503 5.084 1.00 0.00 H new ATOM 0 HD23 LEU C 2 12.413 0.298 5.540 1.00 0.00 H new ATOM 1643 N ILE C 3 8.896 2.437 5.815 1.00 0.00 N ATOM 1644 CA ILE C 3 8.052 3.548 5.407 1.00 0.00 C ATOM 1645 C ILE C 3 8.574 4.187 4.132 1.00 0.00 C ATOM 1646 O ILE C 3 9.777 4.202 3.875 1.00 0.00 O ATOM 1647 CB ILE C 3 7.963 4.602 6.533 1.00 0.00 C ATOM 1648 CG1 ILE C 3 7.170 4.082 7.735 1.00 0.00 C ATOM 1649 CG2 ILE C 3 7.241 5.864 6.055 1.00 0.00 C ATOM 1650 CD1 ILE C 3 8.015 3.219 8.664 1.00 0.00 C ATOM 0 H ILE C 3 9.794 2.722 6.206 1.00 0.00 H new ATOM 0 HA ILE C 3 7.053 3.158 5.211 1.00 0.00 H new ATOM 0 HB ILE C 3 8.993 4.820 6.816 1.00 0.00 H new ATOM 0 HG12 ILE C 3 6.769 4.927 8.295 1.00 0.00 H new ATOM 0 HG13 ILE C 3 6.318 3.502 7.380 1.00 0.00 H new ATOM 0 HG21 ILE C 3 7.194 6.587 6.869 1.00 0.00 H new ATOM 0 HG22 ILE C 3 7.784 6.298 5.215 1.00 0.00 H new ATOM 0 HG23 ILE C 3 6.230 5.607 5.739 1.00 0.00 H new ATOM 0 HD11 ILE C 3 7.404 2.877 9.499 1.00 0.00 H new ATOM 0 HD12 ILE C 3 8.394 2.357 8.115 1.00 0.00 H new ATOM 0 HD13 ILE C 3 8.852 3.805 9.043 1.00 0.00 H new ATOM 1662 N LEU C 4 7.633 4.712 3.349 1.00 0.00 N ATOM 1663 CA LEU C 4 7.892 5.416 2.110 1.00 0.00 C ATOM 1664 C LEU C 4 6.895 6.571 2.005 1.00 0.00 C ATOM 1665 O LEU C 4 5.824 6.533 2.613 1.00 0.00 O ATOM 1666 CB LEU C 4 7.729 4.459 0.927 1.00 0.00 C ATOM 1667 CG LEU C 4 8.784 3.347 0.911 1.00 0.00 C ATOM 1668 CD1 LEU C 4 8.498 2.405 -0.251 1.00 0.00 C ATOM 1669 CD2 LEU C 4 10.187 3.912 0.706 1.00 0.00 C ATOM 0 H LEU C 4 6.640 4.653 3.573 1.00 0.00 H new ATOM 0 HA LEU C 4 8.911 5.803 2.095 1.00 0.00 H new ATOM 0 HB2 LEU C 4 6.736 4.011 0.963 1.00 0.00 H new ATOM 0 HB3 LEU C 4 7.790 5.025 -0.003 1.00 0.00 H new ATOM 0 HG LEU C 4 8.737 2.831 1.870 1.00 0.00 H new ATOM 0 HD11 LEU C 4 9.245 1.611 -0.268 1.00 0.00 H new ATOM 0 HD12 LEU C 4 7.507 1.968 -0.130 1.00 0.00 H new ATOM 0 HD13 LEU C 4 8.537 2.961 -1.188 1.00 0.00 H new ATOM 0 HD21 LEU C 4 10.910 3.097 0.700 1.00 0.00 H new ATOM 0 HD22 LEU C 4 10.230 4.443 -0.245 1.00 0.00 H new ATOM 0 HD23 LEU C 4 10.424 4.601 1.517 1.00 0.00 H new ATOM 1681 N THR C 5 7.249 7.596 1.229 1.00 0.00 N ATOM 1682 CA THR C 5 6.403 8.763 1.031 1.00 0.00 C ATOM 1683 C THR C 5 6.269 8.997 -0.465 1.00 0.00 C ATOM 1684 O THR C 5 7.265 8.978 -1.189 1.00 0.00 O ATOM 1685 CB THR C 5 7.019 9.975 1.734 1.00 0.00 C ATOM 1686 OG1 THR C 5 7.263 9.670 3.087 1.00 0.00 O ATOM 1687 CG2 THR C 5 6.079 11.175 1.706 1.00 0.00 C ATOM 0 H THR C 5 8.133 7.636 0.721 1.00 0.00 H new ATOM 0 HA THR C 5 5.414 8.604 1.460 1.00 0.00 H new ATOM 0 HB THR C 5 7.942 10.217 1.207 1.00 0.00 H new ATOM 0 HG1 THR C 5 8.122 10.055 3.359 1.00 0.00 H new ATOM 0 HG21 THR C 5 6.549 12.017 2.214 1.00 0.00 H new ATOM 0 HG22 THR C 5 5.867 11.447 0.672 1.00 0.00 H new ATOM 0 HG23 THR C 5 5.148 10.920 2.212 1.00 0.00 H new ATOM 1695 N ARG C 6 5.035 9.220 -0.931 1.00 0.00 N ATOM 1696 CA ARG C 6 4.738 9.309 -2.356 1.00 0.00 C ATOM 1697 C ARG C 6 3.696 10.369 -2.635 1.00 0.00 C ATOM 1698 O ARG C 6 3.217 11.034 -1.724 1.00 0.00 O ATOM 1699 CB ARG C 6 4.225 7.957 -2.849 1.00 0.00 C ATOM 1700 CG ARG C 6 5.069 6.812 -2.309 1.00 0.00 C ATOM 1701 CD ARG C 6 4.616 5.509 -2.946 1.00 0.00 C ATOM 1702 NE ARG C 6 3.163 5.312 -2.871 1.00 0.00 N ATOM 1703 CZ ARG C 6 2.548 4.496 -2.012 1.00 0.00 C ATOM 1704 NH1 ARG C 6 3.225 3.853 -1.067 1.00 0.00 N ATOM 1705 NH2 ARG C 6 1.233 4.321 -2.098 1.00 0.00 N ATOM 0 H ARG C 6 4.220 9.343 -0.330 1.00 0.00 H new ATOM 0 HA ARG C 6 5.654 9.582 -2.880 1.00 0.00 H new ATOM 0 HB2 ARG C 6 3.188 7.825 -2.539 1.00 0.00 H new ATOM 0 HB3 ARG C 6 4.237 7.937 -3.939 1.00 0.00 H new ATOM 0 HG2 ARG C 6 6.123 6.989 -2.525 1.00 0.00 H new ATOM 0 HG3 ARG C 6 4.971 6.753 -1.225 1.00 0.00 H new ATOM 0 HD2 ARG C 6 4.926 5.494 -3.991 1.00 0.00 H new ATOM 0 HD3 ARG C 6 5.117 4.676 -2.453 1.00 0.00 H new ATOM 0 HE ARG C 6 2.581 5.837 -3.523 1.00 0.00 H new ATOM 0 HH11 ARG C 6 4.234 3.978 -0.988 1.00 0.00 H new ATOM 0 HH12 ARG C 6 2.736 3.234 -0.421 1.00 0.00 H new ATOM 0 HH21 ARG C 6 0.700 4.809 -2.818 1.00 0.00 H new ATOM 0 HH22 ARG C 6 0.758 3.699 -1.444 1.00 0.00 H new ATOM 1719 N LYS C 7 3.347 10.515 -3.909 1.00 0.00 N ATOM 1720 CA LYS C 7 2.311 11.430 -4.350 1.00 0.00 C ATOM 1721 C LYS C 7 1.311 10.668 -5.201 1.00 0.00 C ATOM 1722 O LYS C 7 1.654 9.647 -5.795 1.00 0.00 O ATOM 1723 CB LYS C 7 2.941 12.585 -5.130 1.00 0.00 C ATOM 1724 CG LYS C 7 3.263 13.770 -4.225 1.00 0.00 C ATOM 1725 CD LYS C 7 3.709 14.951 -5.083 1.00 0.00 C ATOM 1726 CE LYS C 7 3.606 16.259 -4.298 1.00 0.00 C ATOM 1727 NZ LYS C 7 4.584 16.316 -3.195 1.00 0.00 N ATOM 0 H LYS C 7 3.783 9.994 -4.670 1.00 0.00 H new ATOM 0 HA LYS C 7 1.788 11.852 -3.492 1.00 0.00 H new ATOM 0 HB2 LYS C 7 3.854 12.240 -5.616 1.00 0.00 H new ATOM 0 HB3 LYS C 7 2.261 12.905 -5.919 1.00 0.00 H new ATOM 0 HG2 LYS C 7 2.386 14.043 -3.637 1.00 0.00 H new ATOM 0 HG3 LYS C 7 4.049 13.501 -3.519 1.00 0.00 H new ATOM 0 HD2 LYS C 7 4.737 14.799 -5.413 1.00 0.00 H new ATOM 0 HD3 LYS C 7 3.091 15.009 -5.979 1.00 0.00 H new ATOM 0 HE2 LYS C 7 3.769 17.101 -4.971 1.00 0.00 H new ATOM 0 HE3 LYS C 7 2.598 16.363 -3.896 1.00 0.00 H new ATOM 0 HZ1 LYS C 7 4.092 16.534 -2.305 1.00 0.00 H new ATOM 0 HZ2 LYS C 7 5.064 15.397 -3.109 1.00 0.00 H new ATOM 0 HZ3 LYS C 7 5.287 17.057 -3.392 1.00 0.00 H new ATOM 1741 N VAL C 8 0.071 11.163 -5.269 1.00 0.00 N ATOM 1742 CA VAL C 8 -0.969 10.464 -6.010 1.00 0.00 C ATOM 1743 C VAL C 8 -0.539 10.200 -7.450 1.00 0.00 C ATOM 1744 O VAL C 8 -0.251 11.123 -8.207 1.00 0.00 O ATOM 1745 CB VAL C 8 -2.305 11.200 -5.908 1.00 0.00 C ATOM 1746 CG1 VAL C 8 -2.740 11.208 -4.444 1.00 0.00 C ATOM 1747 CG2 VAL C 8 -2.270 12.645 -6.399 1.00 0.00 C ATOM 0 H VAL C 8 -0.228 12.031 -4.826 1.00 0.00 H new ATOM 0 HA VAL C 8 -1.121 9.486 -5.554 1.00 0.00 H new ATOM 0 HB VAL C 8 -3.000 10.666 -6.556 1.00 0.00 H new ATOM 0 HG11 VAL C 8 -3.693 11.729 -4.350 1.00 0.00 H new ATOM 0 HG12 VAL C 8 -2.852 10.182 -4.092 1.00 0.00 H new ATOM 0 HG13 VAL C 8 -1.987 11.718 -3.843 1.00 0.00 H new ATOM 0 HG21 VAL C 8 -3.259 13.090 -6.290 1.00 0.00 H new ATOM 0 HG22 VAL C 8 -1.550 13.212 -5.809 1.00 0.00 H new ATOM 0 HG23 VAL C 8 -1.976 12.666 -7.448 1.00 0.00 H new ATOM 1757 N GLY C 9 -0.503 8.915 -7.812 1.00 0.00 N ATOM 1758 CA GLY C 9 -0.107 8.465 -9.140 1.00 0.00 C ATOM 1759 C GLY C 9 1.142 7.576 -9.127 1.00 0.00 C ATOM 1760 O GLY C 9 1.384 6.851 -10.092 1.00 0.00 O ATOM 0 H GLY C 9 -0.752 8.153 -7.181 1.00 0.00 H new ATOM 0 HA2 GLY C 9 -0.932 7.915 -9.592 1.00 0.00 H new ATOM 0 HA3 GLY C 9 0.080 9.334 -9.771 1.00 0.00 H new ATOM 1764 N GLU C 10 1.940 7.611 -8.053 1.00 0.00 N ATOM 1765 CA GLU C 10 3.144 6.792 -7.949 1.00 0.00 C ATOM 1766 C GLU C 10 2.823 5.330 -7.644 1.00 0.00 C ATOM 1767 O GLU C 10 1.677 4.979 -7.363 1.00 0.00 O ATOM 1768 CB GLU C 10 4.061 7.342 -6.854 1.00 0.00 C ATOM 1769 CG GLU C 10 4.664 8.682 -7.272 1.00 0.00 C ATOM 1770 CD GLU C 10 5.812 9.072 -6.343 1.00 0.00 C ATOM 1771 OE1 GLU C 10 6.916 8.514 -6.522 1.00 0.00 O ATOM 1772 OE2 GLU C 10 5.576 9.924 -5.460 1.00 0.00 O ATOM 0 H GLU C 10 1.768 8.204 -7.241 1.00 0.00 H new ATOM 0 HA GLU C 10 3.644 6.834 -8.917 1.00 0.00 H new ATOM 0 HB2 GLU C 10 3.497 7.465 -5.929 1.00 0.00 H new ATOM 0 HB3 GLU C 10 4.858 6.628 -6.649 1.00 0.00 H new ATOM 0 HG2 GLU C 10 5.026 8.619 -8.298 1.00 0.00 H new ATOM 0 HG3 GLU C 10 3.895 9.454 -7.252 1.00 0.00 H new ATOM 1779 N SER C 11 3.852 4.477 -7.700 1.00 0.00 N ATOM 1780 CA SER C 11 3.723 3.045 -7.466 1.00 0.00 C ATOM 1781 C SER C 11 4.907 2.520 -6.655 1.00 0.00 C ATOM 1782 O SER C 11 5.952 3.167 -6.590 1.00 0.00 O ATOM 1783 CB SER C 11 3.648 2.308 -8.805 1.00 0.00 C ATOM 1784 OG SER C 11 2.523 2.729 -9.543 1.00 0.00 O ATOM 0 H SER C 11 4.806 4.771 -7.912 1.00 0.00 H new ATOM 0 HA SER C 11 2.809 2.868 -6.899 1.00 0.00 H new ATOM 0 HB2 SER C 11 4.556 2.493 -9.379 1.00 0.00 H new ATOM 0 HB3 SER C 11 3.594 1.233 -8.632 1.00 0.00 H new ATOM 0 HG SER C 11 1.741 2.202 -9.277 1.00 0.00 H new ATOM 1790 N ILE C 12 4.722 1.346 -6.043 1.00 0.00 N ATOM 1791 CA ILE C 12 5.667 0.708 -5.133 1.00 0.00 C ATOM 1792 C ILE C 12 5.665 -0.796 -5.408 1.00 0.00 C ATOM 1793 O ILE C 12 4.719 -1.308 -6.006 1.00 0.00 O ATOM 1794 CB ILE C 12 5.250 1.012 -3.684 1.00 0.00 C ATOM 1795 CG1 ILE C 12 5.338 2.514 -3.391 1.00 0.00 C ATOM 1796 CG2 ILE C 12 6.099 0.251 -2.655 1.00 0.00 C ATOM 1797 CD1 ILE C 12 6.752 3.081 -3.561 1.00 0.00 C ATOM 0 H ILE C 12 3.874 0.795 -6.176 1.00 0.00 H new ATOM 0 HA ILE C 12 6.676 1.090 -5.285 1.00 0.00 H new ATOM 0 HB ILE C 12 4.217 0.676 -3.589 1.00 0.00 H new ATOM 0 HG12 ILE C 12 4.657 3.047 -4.055 1.00 0.00 H new ATOM 0 HG13 ILE C 12 5.000 2.699 -2.372 1.00 0.00 H new ATOM 0 HG21 ILE C 12 5.763 0.502 -1.649 1.00 0.00 H new ATOM 0 HG22 ILE C 12 5.992 -0.822 -2.817 1.00 0.00 H new ATOM 0 HG23 ILE C 12 7.146 0.532 -2.768 1.00 0.00 H new ATOM 0 HD11 ILE C 12 6.745 4.148 -3.339 1.00 0.00 H new ATOM 0 HD12 ILE C 12 7.432 2.572 -2.878 1.00 0.00 H new ATOM 0 HD13 ILE C 12 7.085 2.926 -4.587 1.00 0.00 H new ATOM 1809 N ASN C 13 6.709 -1.509 -4.979 1.00 0.00 N ATOM 1810 CA ASN C 13 6.866 -2.917 -5.306 1.00 0.00 C ATOM 1811 C ASN C 13 7.049 -3.780 -4.062 1.00 0.00 C ATOM 1812 O ASN C 13 7.615 -3.339 -3.061 1.00 0.00 O ATOM 1813 CB ASN C 13 8.076 -3.055 -6.229 1.00 0.00 C ATOM 1814 CG ASN C 13 7.938 -2.163 -7.452 1.00 0.00 C ATOM 1815 OD1 ASN C 13 8.585 -1.122 -7.541 1.00 0.00 O ATOM 1816 ND2 ASN C 13 7.096 -2.561 -8.401 1.00 0.00 N ATOM 0 H ASN C 13 7.458 -1.127 -4.402 1.00 0.00 H new ATOM 0 HA ASN C 13 5.959 -3.269 -5.798 1.00 0.00 H new ATOM 0 HB2 ASN C 13 8.984 -2.793 -5.685 1.00 0.00 H new ATOM 0 HB3 ASN C 13 8.181 -4.094 -6.543 1.00 0.00 H new ATOM 0 HD21 ASN C 13 6.969 -1.995 -9.240 1.00 0.00 H new ATOM 0 HD22 ASN C 13 6.577 -3.432 -8.290 1.00 0.00 H new ATOM 1823 N ILE C 14 6.557 -5.020 -4.147 1.00 0.00 N ATOM 1824 CA ILE C 14 6.652 -6.013 -3.084 1.00 0.00 C ATOM 1825 C ILE C 14 6.941 -7.372 -3.713 1.00 0.00 C ATOM 1826 O ILE C 14 6.281 -7.768 -4.677 1.00 0.00 O ATOM 1827 CB ILE C 14 5.333 -6.067 -2.296 1.00 0.00 C ATOM 1828 CG1 ILE C 14 4.995 -4.688 -1.707 1.00 0.00 C ATOM 1829 CG2 ILE C 14 5.428 -7.133 -1.197 1.00 0.00 C ATOM 1830 CD1 ILE C 14 3.673 -4.706 -0.938 1.00 0.00 C ATOM 0 H ILE C 14 6.072 -5.364 -4.976 1.00 0.00 H new ATOM 0 HA ILE C 14 7.454 -5.745 -2.396 1.00 0.00 H new ATOM 0 HB ILE C 14 4.525 -6.341 -2.974 1.00 0.00 H new ATOM 0 HG12 ILE C 14 5.798 -4.370 -1.042 1.00 0.00 H new ATOM 0 HG13 ILE C 14 4.938 -3.954 -2.511 1.00 0.00 H new ATOM 0 HG21 ILE C 14 4.491 -7.167 -0.641 1.00 0.00 H new ATOM 0 HG22 ILE C 14 5.617 -8.106 -1.650 1.00 0.00 H new ATOM 0 HG23 ILE C 14 6.243 -6.884 -0.518 1.00 0.00 H new ATOM 0 HD11 ILE C 14 3.471 -3.712 -0.538 1.00 0.00 H new ATOM 0 HD12 ILE C 14 2.865 -4.998 -1.609 1.00 0.00 H new ATOM 0 HD13 ILE C 14 3.739 -5.421 -0.118 1.00 0.00 H new ATOM 1842 N GLY C 15 7.924 -8.091 -3.166 1.00 0.00 N ATOM 1843 CA GLY C 15 8.323 -9.385 -3.695 1.00 0.00 C ATOM 1844 C GLY C 15 8.660 -9.268 -5.178 1.00 0.00 C ATOM 1845 O GLY C 15 9.198 -8.252 -5.625 1.00 0.00 O ATOM 0 H GLY C 15 8.458 -7.791 -2.351 1.00 0.00 H new ATOM 0 HA2 GLY C 15 9.188 -9.759 -3.147 1.00 0.00 H new ATOM 0 HA3 GLY C 15 7.519 -10.107 -3.553 1.00 0.00 H new ATOM 1849 N ASP C 16 8.344 -10.313 -5.938 1.00 0.00 N ATOM 1850 CA ASP C 16 8.548 -10.355 -7.377 1.00 0.00 C ATOM 1851 C ASP C 16 7.233 -10.671 -8.096 1.00 0.00 C ATOM 1852 O ASP C 16 7.244 -11.036 -9.270 1.00 0.00 O ATOM 1853 CB ASP C 16 9.672 -11.338 -7.728 1.00 0.00 C ATOM 1854 CG ASP C 16 9.320 -12.784 -7.378 1.00 0.00 C ATOM 1855 OD1 ASP C 16 9.214 -13.077 -6.165 1.00 0.00 O ATOM 1856 OD2 ASP C 16 9.164 -13.583 -8.328 1.00 0.00 O ATOM 0 H ASP C 16 7.932 -11.167 -5.562 1.00 0.00 H new ATOM 0 HA ASP C 16 8.867 -9.373 -7.727 1.00 0.00 H new ATOM 0 HB2 ASP C 16 9.890 -11.269 -8.794 1.00 0.00 H new ATOM 0 HB3 ASP C 16 10.580 -11.050 -7.198 1.00 0.00 H new ATOM 1861 N ASP C 17 6.104 -10.534 -7.387 1.00 0.00 N ATOM 1862 CA ASP C 17 4.781 -10.831 -7.923 1.00 0.00 C ATOM 1863 C ASP C 17 3.746 -9.772 -7.537 1.00 0.00 C ATOM 1864 O ASP C 17 2.580 -9.922 -7.897 1.00 0.00 O ATOM 1865 CB ASP C 17 4.315 -12.204 -7.423 1.00 0.00 C ATOM 1866 CG ASP C 17 5.201 -13.336 -7.934 1.00 0.00 C ATOM 1867 OD1 ASP C 17 5.155 -13.598 -9.157 1.00 0.00 O ATOM 1868 OD2 ASP C 17 5.914 -13.929 -7.097 1.00 0.00 O ATOM 0 H ASP C 17 6.090 -10.211 -6.419 1.00 0.00 H new ATOM 0 HA ASP C 17 4.865 -10.832 -9.010 1.00 0.00 H new ATOM 0 HB2 ASP C 17 4.313 -12.210 -6.333 1.00 0.00 H new ATOM 0 HB3 ASP C 17 3.288 -12.376 -7.744 1.00 0.00 H new ATOM 1873 N ILE C 18 4.126 -8.707 -6.816 1.00 0.00 N ATOM 1874 CA ILE C 18 3.148 -7.711 -6.387 1.00 0.00 C ATOM 1875 C ILE C 18 3.646 -6.286 -6.628 1.00 0.00 C ATOM 1876 O ILE C 18 4.843 -6.003 -6.552 1.00 0.00 O ATOM 1877 CB ILE C 18 2.793 -7.908 -4.903 1.00 0.00 C ATOM 1878 CG1 ILE C 18 2.321 -9.333 -4.590 1.00 0.00 C ATOM 1879 CG2 ILE C 18 1.683 -6.936 -4.490 1.00 0.00 C ATOM 1880 CD1 ILE C 18 3.489 -10.177 -4.079 1.00 0.00 C ATOM 0 H ILE C 18 5.085 -8.520 -6.525 1.00 0.00 H new ATOM 0 HA ILE C 18 2.251 -7.854 -6.989 1.00 0.00 H new ATOM 0 HB ILE C 18 3.708 -7.717 -4.343 1.00 0.00 H new ATOM 0 HG12 ILE C 18 1.529 -9.305 -3.842 1.00 0.00 H new ATOM 0 HG13 ILE C 18 1.898 -9.789 -5.485 1.00 0.00 H new ATOM 0 HG21 ILE C 18 1.441 -7.086 -3.438 1.00 0.00 H new ATOM 0 HG22 ILE C 18 2.022 -5.911 -4.642 1.00 0.00 H new ATOM 0 HG23 ILE C 18 0.795 -7.119 -5.096 1.00 0.00 H new ATOM 0 HD11 ILE C 18 3.140 -11.186 -3.860 1.00 0.00 H new ATOM 0 HD12 ILE C 18 4.268 -10.219 -4.840 1.00 0.00 H new ATOM 0 HD13 ILE C 18 3.893 -9.728 -3.171 1.00 0.00 H new ATOM 1892 N THR C 19 2.698 -5.390 -6.916 1.00 0.00 N ATOM 1893 CA THR C 19 2.937 -3.967 -7.093 1.00 0.00 C ATOM 1894 C THR C 19 1.768 -3.219 -6.455 1.00 0.00 C ATOM 1895 O THR C 19 0.670 -3.760 -6.348 1.00 0.00 O ATOM 1896 CB THR C 19 3.066 -3.657 -8.594 1.00 0.00 C ATOM 1897 OG1 THR C 19 4.153 -4.377 -9.130 1.00 0.00 O ATOM 1898 CG2 THR C 19 3.307 -2.172 -8.875 1.00 0.00 C ATOM 0 H THR C 19 1.718 -5.648 -7.034 1.00 0.00 H new ATOM 0 HA THR C 19 3.864 -3.652 -6.615 1.00 0.00 H new ATOM 0 HB THR C 19 2.121 -3.946 -9.055 1.00 0.00 H new ATOM 0 HG1 THR C 19 4.235 -4.181 -10.087 1.00 0.00 H new ATOM 0 HG21 THR C 19 3.390 -2.014 -9.950 1.00 0.00 H new ATOM 0 HG22 THR C 19 2.473 -1.588 -8.485 1.00 0.00 H new ATOM 0 HG23 THR C 19 4.230 -1.855 -8.390 1.00 0.00 H new ATOM 1906 N ILE C 20 2.007 -1.973 -6.040 1.00 0.00 N ATOM 1907 CA ILE C 20 1.029 -1.135 -5.349 1.00 0.00 C ATOM 1908 C ILE C 20 1.008 0.234 -6.014 1.00 0.00 C ATOM 1909 O ILE C 20 2.032 0.672 -6.536 1.00 0.00 O ATOM 1910 CB ILE C 20 1.431 -1.005 -3.872 1.00 0.00 C ATOM 1911 CG1 ILE C 20 1.566 -2.371 -3.183 1.00 0.00 C ATOM 1912 CG2 ILE C 20 0.434 -0.130 -3.103 1.00 0.00 C ATOM 1913 CD1 ILE C 20 0.234 -3.113 -3.066 1.00 0.00 C ATOM 0 H ILE C 20 2.905 -1.510 -6.179 1.00 0.00 H new ATOM 0 HA ILE C 20 0.036 -1.580 -5.405 1.00 0.00 H new ATOM 0 HB ILE C 20 2.410 -0.526 -3.859 1.00 0.00 H new ATOM 0 HG12 ILE C 20 2.271 -2.986 -3.742 1.00 0.00 H new ATOM 0 HG13 ILE C 20 1.986 -2.230 -2.187 1.00 0.00 H new ATOM 0 HG21 ILE C 20 0.744 -0.056 -2.061 1.00 0.00 H new ATOM 0 HG22 ILE C 20 0.407 0.866 -3.545 1.00 0.00 H new ATOM 0 HG23 ILE C 20 -0.559 -0.577 -3.156 1.00 0.00 H new ATOM 0 HD11 ILE C 20 0.393 -4.071 -2.571 1.00 0.00 H new ATOM 0 HD12 ILE C 20 -0.466 -2.515 -2.482 1.00 0.00 H new ATOM 0 HD13 ILE C 20 -0.177 -3.283 -4.061 1.00 0.00 H new ATOM 1925 N THR C 21 -0.142 0.912 -6.005 1.00 0.00 N ATOM 1926 CA THR C 21 -0.283 2.220 -6.641 1.00 0.00 C ATOM 1927 C THR C 21 -1.271 3.094 -5.872 1.00 0.00 C ATOM 1928 O THR C 21 -2.379 2.668 -5.564 1.00 0.00 O ATOM 1929 CB THR C 21 -0.792 2.025 -8.074 1.00 0.00 C ATOM 1930 OG1 THR C 21 0.071 1.174 -8.795 1.00 0.00 O ATOM 1931 CG2 THR C 21 -0.876 3.351 -8.822 1.00 0.00 C ATOM 0 H THR C 21 -0.994 0.572 -5.560 1.00 0.00 H new ATOM 0 HA THR C 21 0.688 2.715 -6.646 1.00 0.00 H new ATOM 0 HB THR C 21 -1.786 1.585 -7.999 1.00 0.00 H new ATOM 0 HG1 THR C 21 -0.269 1.059 -9.707 1.00 0.00 H new ATOM 0 HG21 THR C 21 -1.240 3.175 -9.834 1.00 0.00 H new ATOM 0 HG22 THR C 21 -1.561 4.020 -8.301 1.00 0.00 H new ATOM 0 HG23 THR C 21 0.113 3.807 -8.866 1.00 0.00 H new ATOM 1939 N ILE C 22 -0.868 4.332 -5.562 1.00 0.00 N ATOM 1940 CA ILE C 22 -1.747 5.315 -4.941 1.00 0.00 C ATOM 1941 C ILE C 22 -2.549 5.973 -6.064 1.00 0.00 C ATOM 1942 O ILE C 22 -2.050 6.865 -6.744 1.00 0.00 O ATOM 1943 CB ILE C 22 -0.917 6.316 -4.116 1.00 0.00 C ATOM 1944 CG1 ILE C 22 -1.733 7.549 -3.709 1.00 0.00 C ATOM 1945 CG2 ILE C 22 0.343 6.790 -4.846 1.00 0.00 C ATOM 1946 CD1 ILE C 22 -2.917 7.170 -2.826 1.00 0.00 C ATOM 0 H ILE C 22 0.077 4.675 -5.737 1.00 0.00 H new ATOM 0 HA ILE C 22 -2.442 4.858 -4.237 1.00 0.00 H new ATOM 0 HB ILE C 22 -0.621 5.763 -3.225 1.00 0.00 H new ATOM 0 HG12 ILE C 22 -1.091 8.252 -3.177 1.00 0.00 H new ATOM 0 HG13 ILE C 22 -2.093 8.059 -4.602 1.00 0.00 H new ATOM 0 HG21 ILE C 22 0.886 7.493 -4.215 1.00 0.00 H new ATOM 0 HG22 ILE C 22 0.980 5.933 -5.066 1.00 0.00 H new ATOM 0 HG23 ILE C 22 0.061 7.281 -5.777 1.00 0.00 H new ATOM 0 HD11 ILE C 22 -3.472 8.068 -2.557 1.00 0.00 H new ATOM 0 HD12 ILE C 22 -3.571 6.487 -3.368 1.00 0.00 H new ATOM 0 HD13 ILE C 22 -2.555 6.683 -1.921 1.00 0.00 H new ATOM 1958 N LEU C 23 -3.796 5.542 -6.267 1.00 0.00 N ATOM 1959 CA LEU C 23 -4.602 6.051 -7.368 1.00 0.00 C ATOM 1960 C LEU C 23 -5.020 7.496 -7.095 1.00 0.00 C ATOM 1961 O LEU C 23 -5.236 8.267 -8.026 1.00 0.00 O ATOM 1962 CB LEU C 23 -5.846 5.181 -7.591 1.00 0.00 C ATOM 1963 CG LEU C 23 -5.650 3.705 -7.241 1.00 0.00 C ATOM 1964 CD1 LEU C 23 -6.996 3.000 -7.340 1.00 0.00 C ATOM 1965 CD2 LEU C 23 -4.655 3.030 -8.180 1.00 0.00 C ATOM 0 H LEU C 23 -4.263 4.846 -5.685 1.00 0.00 H new ATOM 0 HA LEU C 23 -3.994 6.018 -8.272 1.00 0.00 H new ATOM 0 HB2 LEU C 23 -6.666 5.579 -6.993 1.00 0.00 H new ATOM 0 HB3 LEU C 23 -6.147 5.258 -8.636 1.00 0.00 H new ATOM 0 HG LEU C 23 -5.250 3.639 -6.229 1.00 0.00 H new ATOM 0 HD11 LEU C 23 -6.873 1.945 -7.093 1.00 0.00 H new ATOM 0 HD12 LEU C 23 -7.698 3.457 -6.642 1.00 0.00 H new ATOM 0 HD13 LEU C 23 -7.381 3.093 -8.355 1.00 0.00 H new ATOM 0 HD21 LEU C 23 -4.543 1.983 -7.899 1.00 0.00 H new ATOM 0 HD22 LEU C 23 -5.021 3.094 -9.205 1.00 0.00 H new ATOM 0 HD23 LEU C 23 -3.689 3.531 -8.108 1.00 0.00 H new ATOM 1977 N GLY C 24 -5.131 7.859 -5.810 1.00 0.00 N ATOM 1978 CA GLY C 24 -5.422 9.222 -5.395 1.00 0.00 C ATOM 1979 C GLY C 24 -6.037 9.251 -4.000 1.00 0.00 C ATOM 1980 O GLY C 24 -6.058 8.234 -3.307 1.00 0.00 O ATOM 0 H GLY C 24 -5.020 7.208 -5.033 1.00 0.00 H new ATOM 0 HA2 GLY C 24 -4.505 9.812 -5.404 1.00 0.00 H new ATOM 0 HA3 GLY C 24 -6.106 9.684 -6.107 1.00 0.00 H new ATOM 1984 N VAL C 25 -6.544 10.416 -3.585 1.00 0.00 N ATOM 1985 CA VAL C 25 -7.205 10.550 -2.291 1.00 0.00 C ATOM 1986 C VAL C 25 -8.571 11.205 -2.465 1.00 0.00 C ATOM 1987 O VAL C 25 -8.901 11.697 -3.543 1.00 0.00 O ATOM 1988 CB VAL C 25 -6.335 11.289 -1.260 1.00 0.00 C ATOM 1989 CG1 VAL C 25 -4.872 10.859 -1.349 1.00 0.00 C ATOM 1990 CG2 VAL C 25 -6.419 12.805 -1.410 1.00 0.00 C ATOM 0 H VAL C 25 -6.507 11.278 -4.129 1.00 0.00 H new ATOM 0 HA VAL C 25 -7.355 9.549 -1.887 1.00 0.00 H new ATOM 0 HB VAL C 25 -6.733 11.015 -0.283 1.00 0.00 H new ATOM 0 HG11 VAL C 25 -4.287 11.402 -0.606 1.00 0.00 H new ATOM 0 HG12 VAL C 25 -4.795 9.788 -1.160 1.00 0.00 H new ATOM 0 HG13 VAL C 25 -4.488 11.080 -2.345 1.00 0.00 H new ATOM 0 HG21 VAL C 25 -5.787 13.280 -0.660 1.00 0.00 H new ATOM 0 HG22 VAL C 25 -6.079 13.092 -2.405 1.00 0.00 H new ATOM 0 HG23 VAL C 25 -7.451 13.128 -1.273 1.00 0.00 H new ATOM 2000 N SER C 26 -9.361 11.207 -1.391 1.00 0.00 N ATOM 2001 CA SER C 26 -10.730 11.708 -1.391 1.00 0.00 C ATOM 2002 C SER C 26 -11.002 12.397 -0.057 1.00 0.00 C ATOM 2003 O SER C 26 -12.026 12.164 0.584 1.00 0.00 O ATOM 2004 CB SER C 26 -11.676 10.525 -1.602 1.00 0.00 C ATOM 2005 OG SER C 26 -11.817 10.246 -2.979 1.00 0.00 O ATOM 0 H SER C 26 -9.060 10.854 -0.483 1.00 0.00 H new ATOM 0 HA SER C 26 -10.885 12.432 -2.191 1.00 0.00 H new ATOM 0 HB2 SER C 26 -11.291 9.647 -1.084 1.00 0.00 H new ATOM 0 HB3 SER C 26 -12.651 10.749 -1.168 1.00 0.00 H new ATOM 0 HG SER C 26 -11.036 10.587 -3.463 1.00 0.00 H new ATOM 2011 N GLY C 27 -10.073 13.255 0.361 1.00 0.00 N ATOM 2012 CA GLY C 27 -10.086 13.870 1.674 1.00 0.00 C ATOM 2013 C GLY C 27 -9.011 13.194 2.514 1.00 0.00 C ATOM 2014 O GLY C 27 -7.950 12.850 1.992 1.00 0.00 O ATOM 0 H GLY C 27 -9.282 13.542 -0.216 1.00 0.00 H new ATOM 0 HA2 GLY C 27 -9.894 14.940 1.597 1.00 0.00 H new ATOM 0 HA3 GLY C 27 -11.064 13.755 2.140 1.00 0.00 H new ATOM 2018 N GLN C 28 -9.259 12.994 3.811 1.00 0.00 N ATOM 2019 CA GLN C 28 -8.312 12.262 4.639 1.00 0.00 C ATOM 2020 C GLN C 28 -8.386 10.758 4.366 1.00 0.00 C ATOM 2021 O GLN C 28 -7.550 10.000 4.860 1.00 0.00 O ATOM 2022 CB GLN C 28 -8.528 12.598 6.118 1.00 0.00 C ATOM 2023 CG GLN C 28 -7.251 13.229 6.684 1.00 0.00 C ATOM 2024 CD GLN C 28 -6.934 14.564 6.010 1.00 0.00 C ATOM 2025 OE1 GLN C 28 -6.061 14.551 5.004 1.00 0.00 O flip ATOM 2026 NE2 GLN C 28 -7.471 15.598 6.392 1.00 0.00 N flip ATOM 0 H GLN C 28 -10.092 13.323 4.298 1.00 0.00 H new ATOM 0 HA GLN C 28 -7.302 12.575 4.377 1.00 0.00 H new ATOM 0 HB2 GLN C 28 -9.367 13.285 6.228 1.00 0.00 H new ATOM 0 HB3 GLN C 28 -8.780 11.696 6.675 1.00 0.00 H new ATOM 0 HG2 GLN C 28 -7.365 13.381 7.757 1.00 0.00 H new ATOM 0 HG3 GLN C 28 -6.414 12.544 6.546 1.00 0.00 H new ATOM 0 HE21 GLN C 28 -8.135 15.572 7.166 1.00 0.00 H new ATOM 0 HE22 GLN C 28 -7.254 16.484 5.936 1.00 0.00 H new ATOM 2035 N GLN C 29 -9.381 10.314 3.589 1.00 0.00 N ATOM 2036 CA GLN C 29 -9.407 8.958 3.074 1.00 0.00 C ATOM 2037 C GLN C 29 -8.512 8.884 1.840 1.00 0.00 C ATOM 2038 O GLN C 29 -8.229 9.897 1.205 1.00 0.00 O ATOM 2039 CB GLN C 29 -10.837 8.498 2.762 1.00 0.00 C ATOM 2040 CG GLN C 29 -11.550 9.354 1.721 1.00 0.00 C ATOM 2041 CD GLN C 29 -12.832 8.669 1.260 1.00 0.00 C ATOM 2042 OE1 GLN C 29 -13.029 8.453 0.069 1.00 0.00 O ATOM 2043 NE2 GLN C 29 -13.717 8.316 2.190 1.00 0.00 N ATOM 0 H GLN C 29 -10.178 10.884 3.307 1.00 0.00 H new ATOM 0 HA GLN C 29 -9.027 8.278 3.836 1.00 0.00 H new ATOM 0 HB2 GLN C 29 -10.808 7.466 2.411 1.00 0.00 H new ATOM 0 HB3 GLN C 29 -11.419 8.505 3.684 1.00 0.00 H new ATOM 0 HG2 GLN C 29 -11.783 10.332 2.142 1.00 0.00 H new ATOM 0 HG3 GLN C 29 -10.893 9.523 0.868 1.00 0.00 H new ATOM 0 HE21 GLN C 29 -13.527 8.508 3.174 1.00 0.00 H new ATOM 0 HE22 GLN C 29 -14.585 7.854 1.919 1.00 0.00 H new ATOM 2052 N VAL C 30 -8.064 7.675 1.504 1.00 0.00 N ATOM 2053 CA VAL C 30 -7.083 7.433 0.460 1.00 0.00 C ATOM 2054 C VAL C 30 -7.530 6.223 -0.348 1.00 0.00 C ATOM 2055 O VAL C 30 -8.175 5.329 0.195 1.00 0.00 O ATOM 2056 CB VAL C 30 -5.716 7.189 1.123 1.00 0.00 C ATOM 2057 CG1 VAL C 30 -4.628 6.880 0.098 1.00 0.00 C ATOM 2058 CG2 VAL C 30 -5.268 8.422 1.912 1.00 0.00 C ATOM 0 H VAL C 30 -8.383 6.822 1.963 1.00 0.00 H new ATOM 0 HA VAL C 30 -6.996 8.287 -0.211 1.00 0.00 H new ATOM 0 HB VAL C 30 -5.848 6.332 1.784 1.00 0.00 H new ATOM 0 HG11 VAL C 30 -3.681 6.715 0.611 1.00 0.00 H new ATOM 0 HG12 VAL C 30 -4.899 5.984 -0.461 1.00 0.00 H new ATOM 0 HG13 VAL C 30 -4.527 7.720 -0.589 1.00 0.00 H new ATOM 0 HG21 VAL C 30 -4.299 8.227 2.372 1.00 0.00 H new ATOM 0 HG22 VAL C 30 -5.185 9.275 1.238 1.00 0.00 H new ATOM 0 HG23 VAL C 30 -6.001 8.643 2.688 1.00 0.00 H new ATOM 2068 N ARG C 31 -7.195 6.181 -1.641 1.00 0.00 N ATOM 2069 CA ARG C 31 -7.609 5.081 -2.499 1.00 0.00 C ATOM 2070 C ARG C 31 -6.396 4.532 -3.231 1.00 0.00 C ATOM 2071 O ARG C 31 -5.651 5.267 -3.884 1.00 0.00 O ATOM 2072 CB ARG C 31 -8.717 5.553 -3.431 1.00 0.00 C ATOM 2073 CG ARG C 31 -9.450 4.364 -4.061 1.00 0.00 C ATOM 2074 CD ARG C 31 -10.794 4.818 -4.627 1.00 0.00 C ATOM 2075 NE ARG C 31 -11.731 5.175 -3.553 1.00 0.00 N ATOM 2076 CZ ARG C 31 -12.051 6.421 -3.192 1.00 0.00 C ATOM 2077 NH1 ARG C 31 -11.522 7.471 -3.814 1.00 0.00 N ATOM 2078 NH2 ARG C 31 -12.909 6.619 -2.199 1.00 0.00 N ATOM 0 H ARG C 31 -6.640 6.897 -2.110 1.00 0.00 H new ATOM 0 HA ARG C 31 -8.023 4.261 -1.912 1.00 0.00 H new ATOM 0 HB2 ARG C 31 -9.425 6.169 -2.877 1.00 0.00 H new ATOM 0 HB3 ARG C 31 -8.294 6.181 -4.215 1.00 0.00 H new ATOM 0 HG2 ARG C 31 -8.841 3.929 -4.853 1.00 0.00 H new ATOM 0 HG3 ARG C 31 -9.605 3.585 -3.314 1.00 0.00 H new ATOM 0 HD2 ARG C 31 -10.644 5.676 -5.282 1.00 0.00 H new ATOM 0 HD3 ARG C 31 -11.222 4.022 -5.237 1.00 0.00 H new ATOM 0 HE ARG C 31 -12.172 4.410 -3.042 1.00 0.00 H new ATOM 0 HH11 ARG C 31 -10.862 7.331 -4.579 1.00 0.00 H new ATOM 0 HH12 ARG C 31 -11.777 8.416 -3.526 1.00 0.00 H new ATOM 0 HH21 ARG C 31 -13.321 5.822 -1.715 1.00 0.00 H new ATOM 0 HH22 ARG C 31 -13.156 7.569 -1.920 1.00 0.00 H new ATOM 2092 N ILE C 32 -6.217 3.219 -3.108 1.00 0.00 N ATOM 2093 CA ILE C 32 -5.004 2.530 -3.503 1.00 0.00 C ATOM 2094 C ILE C 32 -5.372 1.306 -4.325 1.00 0.00 C ATOM 2095 O ILE C 32 -6.434 0.719 -4.128 1.00 0.00 O ATOM 2096 CB ILE C 32 -4.249 2.129 -2.224 1.00 0.00 C ATOM 2097 CG1 ILE C 32 -4.005 3.354 -1.328 1.00 0.00 C ATOM 2098 CG2 ILE C 32 -2.909 1.460 -2.555 1.00 0.00 C ATOM 2099 CD1 ILE C 32 -3.479 2.967 0.054 1.00 0.00 C ATOM 0 H ILE C 32 -6.928 2.598 -2.723 1.00 0.00 H new ATOM 0 HA ILE C 32 -4.367 3.170 -4.113 1.00 0.00 H new ATOM 0 HB ILE C 32 -4.873 1.413 -1.689 1.00 0.00 H new ATOM 0 HG12 ILE C 32 -3.291 4.019 -1.813 1.00 0.00 H new ATOM 0 HG13 ILE C 32 -4.935 3.911 -1.217 1.00 0.00 H new ATOM 0 HG21 ILE C 32 -2.400 1.188 -1.630 1.00 0.00 H new ATOM 0 HG22 ILE C 32 -3.087 0.563 -3.148 1.00 0.00 H new ATOM 0 HG23 ILE C 32 -2.287 2.152 -3.122 1.00 0.00 H new ATOM 0 HD11 ILE C 32 -3.323 3.867 0.649 1.00 0.00 H new ATOM 0 HD12 ILE C 32 -4.204 2.324 0.552 1.00 0.00 H new ATOM 0 HD13 ILE C 32 -2.534 2.434 -0.052 1.00 0.00 H new ATOM 2111 N GLY C 33 -4.488 0.919 -5.244 1.00 0.00 N ATOM 2112 CA GLY C 33 -4.682 -0.254 -6.072 1.00 0.00 C ATOM 2113 C GLY C 33 -3.566 -1.250 -5.804 1.00 0.00 C ATOM 2114 O GLY C 33 -2.496 -0.888 -5.313 1.00 0.00 O ATOM 0 H GLY C 33 -3.617 1.417 -5.430 1.00 0.00 H new ATOM 0 HA2 GLY C 33 -5.649 -0.708 -5.858 1.00 0.00 H new ATOM 0 HA3 GLY C 33 -4.688 0.027 -7.125 1.00 0.00 H new ATOM 2118 N ILE C 34 -3.827 -2.512 -6.132 1.00 0.00 N ATOM 2119 CA ILE C 34 -2.904 -3.600 -5.897 1.00 0.00 C ATOM 2120 C ILE C 34 -2.857 -4.429 -7.168 1.00 0.00 C ATOM 2121 O ILE C 34 -3.855 -4.547 -7.877 1.00 0.00 O ATOM 2122 CB ILE C 34 -3.375 -4.420 -4.688 1.00 0.00 C ATOM 2123 CG1 ILE C 34 -3.529 -3.514 -3.463 1.00 0.00 C ATOM 2124 CG2 ILE C 34 -2.377 -5.538 -4.381 1.00 0.00 C ATOM 2125 CD1 ILE C 34 -4.173 -4.238 -2.283 1.00 0.00 C ATOM 0 H ILE C 34 -4.699 -2.804 -6.574 1.00 0.00 H new ATOM 0 HA ILE C 34 -1.902 -3.241 -5.665 1.00 0.00 H new ATOM 0 HB ILE C 34 -4.341 -4.864 -4.928 1.00 0.00 H new ATOM 0 HG12 ILE C 34 -2.550 -3.139 -3.166 1.00 0.00 H new ATOM 0 HG13 ILE C 34 -4.134 -2.647 -3.729 1.00 0.00 H new ATOM 0 HG21 ILE C 34 -2.725 -6.110 -3.521 1.00 0.00 H new ATOM 0 HG22 ILE C 34 -2.292 -6.197 -5.245 1.00 0.00 H new ATOM 0 HG23 ILE C 34 -1.402 -5.104 -4.158 1.00 0.00 H new ATOM 0 HD11 ILE C 34 -4.260 -3.553 -1.440 1.00 0.00 H new ATOM 0 HD12 ILE C 34 -5.164 -4.589 -2.569 1.00 0.00 H new ATOM 0 HD13 ILE C 34 -3.555 -5.089 -1.997 1.00 0.00 H new ATOM 2137 N ASN C 35 -1.698 -5.008 -7.452 1.00 0.00 N ATOM 2138 CA ASN C 35 -1.493 -5.743 -8.686 1.00 0.00 C ATOM 2139 C ASN C 35 -0.718 -7.014 -8.382 1.00 0.00 C ATOM 2140 O ASN C 35 0.511 -7.016 -8.347 1.00 0.00 O ATOM 2141 CB ASN C 35 -0.767 -4.852 -9.692 1.00 0.00 C ATOM 2142 CG ASN C 35 -0.618 -5.511 -11.052 1.00 0.00 C ATOM 2143 OD1 ASN C 35 -1.222 -6.547 -11.323 1.00 0.00 O ATOM 2144 ND2 ASN C 35 0.193 -4.918 -11.922 1.00 0.00 N ATOM 0 H ASN C 35 -0.883 -4.981 -6.839 1.00 0.00 H new ATOM 0 HA ASN C 35 -2.447 -6.029 -9.129 1.00 0.00 H new ATOM 0 HB2 ASN C 35 -1.314 -3.916 -9.804 1.00 0.00 H new ATOM 0 HB3 ASN C 35 0.220 -4.601 -9.304 1.00 0.00 H new ATOM 0 HD21 ASN C 35 0.330 -5.322 -12.849 1.00 0.00 H new ATOM 0 HD22 ASN C 35 0.678 -4.059 -11.663 1.00 0.00 H new ATOM 2151 N ALA C 36 -1.458 -8.098 -8.162 1.00 0.00 N ATOM 2152 CA ALA C 36 -0.894 -9.389 -7.814 1.00 0.00 C ATOM 2153 C ALA C 36 -1.686 -10.515 -8.474 1.00 0.00 C ATOM 2154 O ALA C 36 -2.851 -10.332 -8.825 1.00 0.00 O ATOM 2155 CB ALA C 36 -0.968 -9.546 -6.295 1.00 0.00 C ATOM 0 H ALA C 36 -2.476 -8.099 -8.222 1.00 0.00 H new ATOM 0 HA ALA C 36 0.138 -9.442 -8.161 1.00 0.00 H new ATOM 0 HB1 ALA C 36 -0.549 -10.511 -6.008 1.00 0.00 H new ATOM 0 HB2 ALA C 36 -0.399 -8.747 -5.819 1.00 0.00 H new ATOM 0 HB3 ALA C 36 -2.008 -9.492 -5.974 1.00 0.00 H new ATOM 2161 N PRO C 37 -1.058 -11.684 -8.650 1.00 0.00 N ATOM 2162 CA PRO C 37 -1.721 -12.889 -9.107 1.00 0.00 C ATOM 2163 C PRO C 37 -2.696 -13.412 -8.061 1.00 0.00 C ATOM 2164 O PRO C 37 -2.572 -13.099 -6.879 1.00 0.00 O ATOM 2165 CB PRO C 37 -0.597 -13.901 -9.315 1.00 0.00 C ATOM 2166 CG PRO C 37 0.532 -13.423 -8.410 1.00 0.00 C ATOM 2167 CD PRO C 37 0.353 -11.915 -8.407 1.00 0.00 C ATOM 0 HA PRO C 37 -2.300 -12.706 -10.013 1.00 0.00 H new ATOM 0 HB2 PRO C 37 -0.918 -14.908 -9.049 1.00 0.00 H new ATOM 0 HB3 PRO C 37 -0.281 -13.932 -10.358 1.00 0.00 H new ATOM 0 HG2 PRO C 37 0.449 -13.841 -7.407 1.00 0.00 H new ATOM 0 HG3 PRO C 37 1.509 -13.713 -8.797 1.00 0.00 H new ATOM 0 HD2 PRO C 37 0.661 -11.487 -7.453 1.00 0.00 H new ATOM 0 HD3 PRO C 37 0.964 -11.447 -9.179 1.00 0.00 H new ATOM 2175 N LYS C 38 -3.667 -14.214 -8.499 1.00 0.00 N ATOM 2176 CA LYS C 38 -4.570 -14.904 -7.587 1.00 0.00 C ATOM 2177 C LYS C 38 -3.794 -15.916 -6.742 1.00 0.00 C ATOM 2178 O LYS C 38 -4.365 -16.576 -5.879 1.00 0.00 O ATOM 2179 CB LYS C 38 -5.677 -15.593 -8.386 1.00 0.00 C ATOM 2180 CG LYS C 38 -6.627 -14.597 -9.063 1.00 0.00 C ATOM 2181 CD LYS C 38 -7.235 -13.646 -8.033 1.00 0.00 C ATOM 2182 CE LYS C 38 -8.552 -13.067 -8.551 1.00 0.00 C ATOM 2183 NZ LYS C 38 -9.614 -14.087 -8.593 1.00 0.00 N ATOM 0 H LYS C 38 -3.846 -14.400 -9.486 1.00 0.00 H new ATOM 0 HA LYS C 38 -5.027 -14.180 -6.912 1.00 0.00 H new ATOM 0 HB2 LYS C 38 -5.227 -16.233 -9.145 1.00 0.00 H new ATOM 0 HB3 LYS C 38 -6.249 -16.241 -7.722 1.00 0.00 H new ATOM 0 HG2 LYS C 38 -6.086 -14.026 -9.818 1.00 0.00 H new ATOM 0 HG3 LYS C 38 -7.420 -15.137 -9.580 1.00 0.00 H new ATOM 0 HD2 LYS C 38 -7.407 -14.177 -7.097 1.00 0.00 H new ATOM 0 HD3 LYS C 38 -6.536 -12.838 -7.818 1.00 0.00 H new ATOM 0 HE2 LYS C 38 -8.864 -12.242 -7.911 1.00 0.00 H new ATOM 0 HE3 LYS C 38 -8.402 -12.656 -9.549 1.00 0.00 H new ATOM 0 HZ1 LYS C 38 -10.544 -13.622 -8.563 1.00 0.00 H new ATOM 0 HZ2 LYS C 38 -9.531 -14.639 -9.471 1.00 0.00 H new ATOM 0 HZ3 LYS C 38 -9.518 -14.722 -7.775 1.00 0.00 H new ATOM 2197 N ASP C 39 -2.488 -16.034 -6.999 1.00 0.00 N ATOM 2198 CA ASP C 39 -1.578 -16.862 -6.230 1.00 0.00 C ATOM 2199 C ASP C 39 -1.384 -16.303 -4.821 1.00 0.00 C ATOM 2200 O ASP C 39 -0.768 -16.957 -3.978 1.00 0.00 O ATOM 2201 CB ASP C 39 -0.242 -16.918 -6.967 1.00 0.00 C ATOM 2202 CG ASP C 39 0.498 -18.222 -6.676 1.00 0.00 C ATOM 2203 OD1 ASP C 39 -0.107 -19.291 -6.916 1.00 0.00 O ATOM 2204 OD2 ASP C 39 1.658 -18.148 -6.214 1.00 0.00 O ATOM 0 H ASP C 39 -2.032 -15.542 -7.767 1.00 0.00 H new ATOM 0 HA ASP C 39 -1.995 -17.864 -6.129 1.00 0.00 H new ATOM 0 HB2 ASP C 39 -0.412 -16.825 -8.040 1.00 0.00 H new ATOM 0 HB3 ASP C 39 0.377 -16.072 -6.668 1.00 0.00 H new ATOM 2209 N VAL C 40 -1.906 -15.099 -4.569 1.00 0.00 N ATOM 2210 CA VAL C 40 -1.815 -14.432 -3.279 1.00 0.00 C ATOM 2211 C VAL C 40 -3.149 -13.763 -2.964 1.00 0.00 C ATOM 2212 O VAL C 40 -3.959 -13.520 -3.860 1.00 0.00 O ATOM 2213 CB VAL C 40 -0.669 -13.403 -3.271 1.00 0.00 C ATOM 2214 CG1 VAL C 40 0.614 -14.000 -3.855 1.00 0.00 C ATOM 2215 CG2 VAL C 40 -1.016 -12.161 -4.083 1.00 0.00 C ATOM 0 H VAL C 40 -2.410 -14.557 -5.270 1.00 0.00 H new ATOM 0 HA VAL C 40 -1.595 -15.172 -2.509 1.00 0.00 H new ATOM 0 HB VAL C 40 -0.517 -13.127 -2.227 1.00 0.00 H new ATOM 0 HG11 VAL C 40 1.405 -13.251 -3.836 1.00 0.00 H new ATOM 0 HG12 VAL C 40 0.917 -14.863 -3.261 1.00 0.00 H new ATOM 0 HG13 VAL C 40 0.434 -14.313 -4.884 1.00 0.00 H new ATOM 0 HG21 VAL C 40 -0.181 -11.461 -4.051 1.00 0.00 H new ATOM 0 HG22 VAL C 40 -1.212 -12.445 -5.117 1.00 0.00 H new ATOM 0 HG23 VAL C 40 -1.903 -11.687 -3.662 1.00 0.00 H new ATOM 2225 N ALA C 41 -3.376 -13.463 -1.684 1.00 0.00 N ATOM 2226 CA ALA C 41 -4.623 -12.868 -1.233 1.00 0.00 C ATOM 2227 C ALA C 41 -4.408 -11.394 -0.912 1.00 0.00 C ATOM 2228 O ALA C 41 -3.362 -11.026 -0.386 1.00 0.00 O ATOM 2229 CB ALA C 41 -5.073 -13.619 0.022 1.00 0.00 C ATOM 0 H ALA C 41 -2.700 -13.627 -0.938 1.00 0.00 H new ATOM 0 HA ALA C 41 -5.384 -12.940 -2.010 1.00 0.00 H new ATOM 0 HB1 ALA C 41 -6.009 -13.194 0.385 1.00 0.00 H new ATOM 0 HB2 ALA C 41 -5.222 -14.672 -0.218 1.00 0.00 H new ATOM 0 HB3 ALA C 41 -4.309 -13.527 0.794 1.00 0.00 H new ATOM 2235 N VAL C 42 -5.392 -10.549 -1.224 1.00 0.00 N ATOM 2236 CA VAL C 42 -5.315 -9.132 -0.875 1.00 0.00 C ATOM 2237 C VAL C 42 -6.698 -8.633 -0.470 1.00 0.00 C ATOM 2238 O VAL C 42 -7.658 -8.777 -1.228 1.00 0.00 O ATOM 2239 CB VAL C 42 -4.736 -8.293 -2.029 1.00 0.00 C ATOM 2240 CG1 VAL C 42 -3.308 -8.737 -2.350 1.00 0.00 C ATOM 2241 CG2 VAL C 42 -5.544 -8.406 -3.321 1.00 0.00 C ATOM 0 H VAL C 42 -6.245 -10.820 -1.714 1.00 0.00 H new ATOM 0 HA VAL C 42 -4.634 -9.018 -0.032 1.00 0.00 H new ATOM 0 HB VAL C 42 -4.769 -7.260 -1.682 1.00 0.00 H new ATOM 0 HG11 VAL C 42 -2.914 -8.133 -3.168 1.00 0.00 H new ATOM 0 HG12 VAL C 42 -2.680 -8.608 -1.469 1.00 0.00 H new ATOM 0 HG13 VAL C 42 -3.311 -9.787 -2.643 1.00 0.00 H new ATOM 0 HG21 VAL C 42 -5.083 -7.791 -4.094 1.00 0.00 H new ATOM 0 HG22 VAL C 42 -5.563 -9.446 -3.648 1.00 0.00 H new ATOM 0 HG23 VAL C 42 -6.563 -8.062 -3.144 1.00 0.00 H new ATOM 2251 N HIS C 43 -6.809 -8.041 0.724 1.00 0.00 N ATOM 2252 CA HIS C 43 -8.092 -7.540 1.196 1.00 0.00 C ATOM 2253 C HIS C 43 -7.911 -6.445 2.240 1.00 0.00 C ATOM 2254 O HIS C 43 -6.804 -6.201 2.724 1.00 0.00 O ATOM 2255 CB HIS C 43 -8.941 -8.656 1.823 1.00 0.00 C ATOM 2256 CG HIS C 43 -8.857 -10.008 1.166 1.00 0.00 C ATOM 2257 ND1 HIS C 43 -9.827 -10.560 0.324 1.00 0.00 N ATOM 2258 CD2 HIS C 43 -7.824 -10.894 1.302 1.00 0.00 C ATOM 2259 CE1 HIS C 43 -9.359 -11.767 -0.022 1.00 0.00 C ATOM 2260 NE2 HIS C 43 -8.161 -11.994 0.546 1.00 0.00 N ATOM 0 H HIS C 43 -6.032 -7.901 1.370 1.00 0.00 H new ATOM 0 HA HIS C 43 -8.601 -7.139 0.320 1.00 0.00 H new ATOM 0 HB2 HIS C 43 -8.647 -8.764 2.867 1.00 0.00 H new ATOM 0 HB3 HIS C 43 -9.983 -8.337 1.817 1.00 0.00 H new ATOM 0 HD1 HIS C 43 -10.707 -10.133 0.034 1.00 0.00 H new ATOM 0 HD2 HIS C 43 -6.925 -10.758 1.885 1.00 0.00 H new ATOM 0 HE1 HIS C 43 -9.873 -12.463 -0.669 1.00 0.00 H new ATOM 2268 N ARG C 44 -9.017 -5.789 2.590 1.00 0.00 N ATOM 2269 CA ARG C 44 -9.075 -4.816 3.669 1.00 0.00 C ATOM 2270 C ARG C 44 -9.021 -5.573 4.997 1.00 0.00 C ATOM 2271 O ARG C 44 -9.352 -6.755 5.042 1.00 0.00 O ATOM 2272 CB ARG C 44 -10.378 -4.025 3.525 1.00 0.00 C ATOM 2273 CG ARG C 44 -10.280 -2.634 4.151 1.00 0.00 C ATOM 2274 CD ARG C 44 -11.606 -1.902 3.947 1.00 0.00 C ATOM 2275 NE ARG C 44 -11.454 -0.454 4.119 1.00 0.00 N ATOM 2276 CZ ARG C 44 -12.327 0.342 4.748 1.00 0.00 C ATOM 2277 NH1 ARG C 44 -13.416 -0.143 5.332 1.00 0.00 N ATOM 2278 NH2 ARG C 44 -12.107 1.653 4.789 1.00 0.00 N ATOM 0 H ARG C 44 -9.912 -5.925 2.120 1.00 0.00 H new ATOM 0 HA ARG C 44 -8.239 -4.118 3.634 1.00 0.00 H new ATOM 0 HB2 ARG C 44 -10.628 -3.929 2.468 1.00 0.00 H new ATOM 0 HB3 ARG C 44 -11.191 -4.578 3.996 1.00 0.00 H new ATOM 0 HG2 ARG C 44 -10.054 -2.715 5.214 1.00 0.00 H new ATOM 0 HG3 ARG C 44 -9.466 -2.072 3.694 1.00 0.00 H new ATOM 0 HD2 ARG C 44 -11.989 -2.112 2.948 1.00 0.00 H new ATOM 0 HD3 ARG C 44 -12.343 -2.278 4.657 1.00 0.00 H new ATOM 0 HE ARG C 44 -10.618 -0.019 3.729 1.00 0.00 H new ATOM 0 HH11 ARG C 44 -13.604 -1.145 5.308 1.00 0.00 H new ATOM 0 HH12 ARG C 44 -14.065 0.487 5.805 1.00 0.00 H new ATOM 0 HH21 ARG C 44 -11.278 2.045 4.343 1.00 0.00 H new ATOM 0 HH22 ARG C 44 -12.768 2.266 5.266 1.00 0.00 H new ATOM 2292 N GLU C 45 -8.612 -4.910 6.080 1.00 0.00 N ATOM 2293 CA GLU C 45 -8.524 -5.546 7.393 1.00 0.00 C ATOM 2294 C GLU C 45 -9.837 -6.205 7.807 1.00 0.00 C ATOM 2295 O GLU C 45 -9.830 -7.267 8.425 1.00 0.00 O ATOM 2296 CB GLU C 45 -8.135 -4.488 8.426 1.00 0.00 C ATOM 2297 CG GLU C 45 -6.614 -4.337 8.494 1.00 0.00 C ATOM 2298 CD GLU C 45 -5.946 -5.486 9.253 1.00 0.00 C ATOM 2299 OE1 GLU C 45 -6.682 -6.308 9.847 1.00 0.00 O ATOM 2300 OE2 GLU C 45 -4.695 -5.535 9.236 1.00 0.00 O ATOM 0 H GLU C 45 -8.336 -3.928 6.072 1.00 0.00 H new ATOM 0 HA GLU C 45 -7.771 -6.332 7.338 1.00 0.00 H new ATOM 0 HB2 GLU C 45 -8.590 -3.532 8.165 1.00 0.00 H new ATOM 0 HB3 GLU C 45 -8.522 -4.768 9.406 1.00 0.00 H new ATOM 0 HG2 GLU C 45 -6.211 -4.291 7.482 1.00 0.00 H new ATOM 0 HG3 GLU C 45 -6.367 -3.393 8.979 1.00 0.00 H new ATOM 2307 N GLU C 46 -10.979 -5.600 7.473 1.00 0.00 N ATOM 2308 CA GLU C 46 -12.264 -6.161 7.869 1.00 0.00 C ATOM 2309 C GLU C 46 -12.583 -7.455 7.120 1.00 0.00 C ATOM 2310 O GLU C 46 -13.497 -8.176 7.512 1.00 0.00 O ATOM 2311 CB GLU C 46 -13.379 -5.135 7.670 1.00 0.00 C ATOM 2312 CG GLU C 46 -13.585 -4.806 6.194 1.00 0.00 C ATOM 2313 CD GLU C 46 -14.730 -3.814 6.025 1.00 0.00 C ATOM 2314 OE1 GLU C 46 -15.892 -4.247 6.182 1.00 0.00 O ATOM 2315 OE2 GLU C 46 -14.435 -2.633 5.739 1.00 0.00 O ATOM 0 H GLU C 46 -11.037 -4.734 6.937 1.00 0.00 H new ATOM 0 HA GLU C 46 -12.197 -6.410 8.928 1.00 0.00 H new ATOM 0 HB2 GLU C 46 -14.308 -5.521 8.090 1.00 0.00 H new ATOM 0 HB3 GLU C 46 -13.137 -4.223 8.216 1.00 0.00 H new ATOM 0 HG2 GLU C 46 -12.669 -4.388 5.777 1.00 0.00 H new ATOM 0 HG3 GLU C 46 -13.801 -5.718 5.638 1.00 0.00 H new ATOM 2322 N ILE C 47 -11.846 -7.753 6.050 1.00 0.00 N ATOM 2323 CA ILE C 47 -12.011 -8.986 5.294 1.00 0.00 C ATOM 2324 C ILE C 47 -10.948 -9.987 5.731 1.00 0.00 C ATOM 2325 O ILE C 47 -11.224 -11.169 5.920 1.00 0.00 O ATOM 2326 CB ILE C 47 -11.791 -8.695 3.808 1.00 0.00 C ATOM 2327 CG1 ILE C 47 -12.625 -7.523 3.290 1.00 0.00 C ATOM 2328 CG2 ILE C 47 -12.074 -9.958 2.990 1.00 0.00 C ATOM 2329 CD1 ILE C 47 -14.114 -7.778 3.454 1.00 0.00 C ATOM 0 H ILE C 47 -11.116 -7.141 5.685 1.00 0.00 H new ATOM 0 HA ILE C 47 -13.011 -9.384 5.467 1.00 0.00 H new ATOM 0 HB ILE C 47 -10.749 -8.399 3.691 1.00 0.00 H new ATOM 0 HG12 ILE C 47 -12.350 -6.615 3.827 1.00 0.00 H new ATOM 0 HG13 ILE C 47 -12.399 -7.352 2.238 1.00 0.00 H new ATOM 0 HG21 ILE C 47 -11.917 -9.749 1.932 1.00 0.00 H new ATOM 0 HG22 ILE C 47 -11.401 -10.755 3.306 1.00 0.00 H new ATOM 0 HG23 ILE C 47 -13.106 -10.271 3.149 1.00 0.00 H new ATOM 0 HD11 ILE C 47 -14.674 -6.923 3.075 1.00 0.00 H new ATOM 0 HD12 ILE C 47 -14.394 -8.671 2.896 1.00 0.00 H new ATOM 0 HD13 ILE C 47 -14.344 -7.923 4.510 1.00 0.00 H new ATOM 2341 N TYR C 48 -9.725 -9.480 5.886 1.00 0.00 N ATOM 2342 CA TYR C 48 -8.551 -10.265 6.198 1.00 0.00 C ATOM 2343 C TYR C 48 -8.691 -11.003 7.523 1.00 0.00 C ATOM 2344 O TYR C 48 -8.105 -12.068 7.707 1.00 0.00 O ATOM 2345 CB TYR C 48 -7.374 -9.296 6.261 1.00 0.00 C ATOM 2346 CG TYR C 48 -6.069 -9.943 6.652 1.00 0.00 C ATOM 2347 CD1 TYR C 48 -5.299 -10.620 5.695 1.00 0.00 C ATOM 2348 CD2 TYR C 48 -5.643 -9.861 7.980 1.00 0.00 C ATOM 2349 CE1 TYR C 48 -4.081 -11.201 6.069 1.00 0.00 C ATOM 2350 CE2 TYR C 48 -4.434 -10.452 8.364 1.00 0.00 C ATOM 2351 CZ TYR C 48 -3.638 -11.114 7.405 1.00 0.00 C ATOM 2352 OH TYR C 48 -2.446 -11.667 7.762 1.00 0.00 O ATOM 0 H TYR C 48 -9.528 -8.483 5.794 1.00 0.00 H new ATOM 0 HA TYR C 48 -8.406 -11.028 5.433 1.00 0.00 H new ATOM 0 HB2 TYR C 48 -7.255 -8.821 5.287 1.00 0.00 H new ATOM 0 HB3 TYR C 48 -7.605 -8.506 6.975 1.00 0.00 H new ATOM 0 HD1 TYR C 48 -5.644 -10.693 4.674 1.00 0.00 H new ATOM 0 HD2 TYR C 48 -6.246 -9.342 8.710 1.00 0.00 H new ATOM 0 HE1 TYR C 48 -3.481 -11.716 5.334 1.00 0.00 H new ATOM 0 HE2 TYR C 48 -4.110 -10.402 9.393 1.00 0.00 H new ATOM 0 HH TYR C 48 -2.289 -11.517 8.718 1.00 0.00 H new