USER MOD reduce.3.24.130724 H: found=0, std=0, add=483, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 481 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 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 156:sc= 0.728 (180deg=-2.13!) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 78:sc= 1.23 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 11:sc= 0.288! USER MOD Single : A 15 ASN : amide:sc= -1.2! C(o=-1.2!,f=-11!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -138:sc= 0 (180deg=-0.101) USER MOD Single : A 45 GLN :FLIP amide:sc= -2.74! C(o=-8.9!,f=-2.7!) USER MOD Single : A 52 HIS : no HD1:sc= -0.919 K(o=-0.92,f=-5.5!) USER MOD Single : A 53 HIS : no HD1:sc= -0.215 X(o=-0.22,f=-0.53) USER MOD Single : A 54 HIS : no HD1:sc= -2.17 K(o=-2.2,f=-3.4!) USER MOD Single : A 55 HIS : no HD1:sc= -2.89! C(o=-2.9!,f=-9.6!) USER MOD Single : A 56 HIS : no HD1:sc= -0.726! C(o=-0.73!,f=-0.81!) USER MOD Single : A 57 HIS : no HD1:sc= -4.12! C(o=-4.1!,f=-5.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.166 -41.045 -9.541 1.00 0.00 N ATOM 2 CA MET A 1 -7.091 -40.077 -9.729 1.00 0.00 C ATOM 3 C MET A 1 -7.480 -38.724 -9.141 1.00 0.00 C ATOM 4 O MET A 1 -6.901 -37.695 -9.489 1.00 0.00 O ATOM 5 CB MET A 1 -6.785 -39.920 -11.219 1.00 0.00 C ATOM 6 CG MET A 1 -8.088 -39.991 -12.020 1.00 0.00 C ATOM 7 SD MET A 1 -8.522 -41.723 -12.311 1.00 0.00 S ATOM 8 CE MET A 1 -9.886 -41.422 -13.461 1.00 0.00 C ATOM 0 H1 MET A 1 -8.088 -41.794 -10.258 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.093 -41.465 -8.593 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.085 -40.567 -9.638 1.00 0.00 H new ATOM 0 HA MET A 1 -6.203 -40.442 -9.213 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.286 -38.968 -11.400 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.102 -40.705 -11.545 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.889 -39.490 -11.477 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.973 -39.469 -12.970 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.312 -42.374 -13.777 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.654 -40.827 -12.967 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.515 -40.883 -14.333 1.00 0.00 H new ATOM 18 N THR A 2 -8.464 -38.734 -8.246 1.00 0.00 N ATOM 19 CA THR A 2 -8.920 -37.501 -7.615 1.00 0.00 C ATOM 20 C THR A 2 -7.937 -37.054 -6.538 1.00 0.00 C ATOM 21 O THR A 2 -7.890 -35.878 -6.177 1.00 0.00 O ATOM 22 CB THR A 2 -10.303 -37.714 -6.992 1.00 0.00 C ATOM 23 OG1 THR A 2 -10.160 -38.359 -5.735 1.00 0.00 O ATOM 24 CG2 THR A 2 -11.154 -38.581 -7.920 1.00 0.00 C ATOM 0 H THR A 2 -8.957 -39.575 -7.944 1.00 0.00 H new ATOM 0 HA THR A 2 -8.981 -36.725 -8.378 1.00 0.00 H new ATOM 0 HB THR A 2 -10.791 -36.750 -6.851 1.00 0.00 H new ATOM 0 HG1 THR A 2 -11.044 -38.494 -5.334 1.00 0.00 H new ATOM 0 HG21 THR A 2 -12.138 -38.732 -7.476 1.00 0.00 H new ATOM 0 HG22 THR A 2 -11.263 -38.084 -8.884 1.00 0.00 H new ATOM 0 HG23 THR A 2 -10.668 -39.546 -8.063 1.00 0.00 H new ATOM 32 N TYR A 3 -7.153 -37.999 -6.030 1.00 0.00 N ATOM 33 CA TYR A 3 -6.173 -37.690 -4.994 1.00 0.00 C ATOM 34 C TYR A 3 -5.388 -36.432 -5.355 1.00 0.00 C ATOM 35 O TYR A 3 -5.009 -35.655 -4.479 1.00 0.00 O ATOM 36 CB TYR A 3 -5.208 -38.865 -4.820 1.00 0.00 C ATOM 37 CG TYR A 3 -5.952 -40.051 -4.254 1.00 0.00 C ATOM 38 CD1 TYR A 3 -6.423 -40.018 -2.936 1.00 0.00 C ATOM 39 CD2 TYR A 3 -6.171 -41.184 -5.047 1.00 0.00 C ATOM 40 CE1 TYR A 3 -7.112 -41.118 -2.411 1.00 0.00 C ATOM 41 CE2 TYR A 3 -6.859 -42.284 -4.523 1.00 0.00 C ATOM 42 CZ TYR A 3 -7.330 -42.251 -3.204 1.00 0.00 C ATOM 43 OH TYR A 3 -8.009 -43.336 -2.687 1.00 0.00 O ATOM 0 H TYR A 3 -7.176 -38.978 -6.316 1.00 0.00 H new ATOM 0 HA TYR A 3 -6.705 -37.516 -4.059 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -4.761 -39.127 -5.779 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -4.392 -38.583 -4.155 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -6.255 -39.144 -2.324 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -5.809 -41.209 -6.064 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -7.475 -41.092 -1.394 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -7.027 -43.158 -5.135 1.00 0.00 H new ATOM 0 HH TYR A 3 -8.074 -44.036 -3.369 1.00 0.00 H new ATOM 53 N PHE A 4 -5.149 -36.236 -6.649 1.00 0.00 N ATOM 54 CA PHE A 4 -4.410 -35.064 -7.105 1.00 0.00 C ATOM 55 C PHE A 4 -4.983 -33.799 -6.475 1.00 0.00 C ATOM 56 O PHE A 4 -4.251 -32.996 -5.897 1.00 0.00 O ATOM 57 CB PHE A 4 -4.482 -34.954 -8.628 1.00 0.00 C ATOM 58 CG PHE A 4 -3.666 -33.769 -9.087 1.00 0.00 C ATOM 59 CD1 PHE A 4 -4.229 -32.486 -9.082 1.00 0.00 C ATOM 60 CD2 PHE A 4 -2.346 -33.952 -9.517 1.00 0.00 C ATOM 61 CE1 PHE A 4 -3.472 -31.388 -9.506 1.00 0.00 C ATOM 62 CE2 PHE A 4 -1.590 -32.853 -9.942 1.00 0.00 C ATOM 63 CZ PHE A 4 -2.152 -31.571 -9.936 1.00 0.00 C ATOM 0 H PHE A 4 -5.452 -36.866 -7.392 1.00 0.00 H new ATOM 0 HA PHE A 4 -3.369 -35.174 -6.802 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -4.106 -35.868 -9.087 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -5.518 -34.841 -8.946 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -5.247 -32.344 -8.751 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -1.911 -34.941 -9.521 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -3.906 -30.399 -9.502 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -0.572 -32.994 -10.275 1.00 0.00 H new ATOM 0 HZ PHE A 4 -1.568 -30.723 -10.263 1.00 0.00 H new ATOM 73 N TYR A 5 -6.296 -33.632 -6.588 1.00 0.00 N ATOM 74 CA TYR A 5 -6.957 -32.463 -6.022 1.00 0.00 C ATOM 75 C TYR A 5 -6.807 -32.454 -4.506 1.00 0.00 C ATOM 76 O TYR A 5 -6.619 -31.401 -3.896 1.00 0.00 O ATOM 77 CB TYR A 5 -8.441 -32.469 -6.392 1.00 0.00 C ATOM 78 CG TYR A 5 -9.032 -31.108 -6.115 1.00 0.00 C ATOM 79 CD1 TYR A 5 -9.496 -30.794 -4.831 1.00 0.00 C ATOM 80 CD2 TYR A 5 -9.115 -30.158 -7.139 1.00 0.00 C ATOM 81 CE1 TYR A 5 -10.042 -29.532 -4.573 1.00 0.00 C ATOM 82 CE2 TYR A 5 -9.661 -28.895 -6.882 1.00 0.00 C ATOM 83 CZ TYR A 5 -10.126 -28.581 -5.598 1.00 0.00 C ATOM 84 OH TYR A 5 -10.664 -27.337 -5.343 1.00 0.00 O ATOM 0 H TYR A 5 -6.919 -34.286 -7.062 1.00 0.00 H new ATOM 0 HA TYR A 5 -6.489 -31.567 -6.430 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -8.564 -32.724 -7.445 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -8.968 -33.230 -5.817 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -9.432 -31.526 -4.040 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -8.757 -30.400 -8.129 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -10.399 -29.291 -3.583 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -9.724 -28.163 -7.673 1.00 0.00 H new ATOM 0 HH TYR A 5 -10.646 -26.799 -6.162 1.00 0.00 H new ATOM 94 N VAL A 6 -6.884 -33.636 -3.904 1.00 0.00 N ATOM 95 CA VAL A 6 -6.750 -33.755 -2.459 1.00 0.00 C ATOM 96 C VAL A 6 -5.350 -33.338 -2.023 1.00 0.00 C ATOM 97 O VAL A 6 -5.141 -32.914 -0.886 1.00 0.00 O ATOM 98 CB VAL A 6 -7.011 -35.199 -2.026 1.00 0.00 C ATOM 99 CG1 VAL A 6 -6.826 -35.321 -0.513 1.00 0.00 C ATOM 100 CG2 VAL A 6 -8.442 -35.592 -2.398 1.00 0.00 C ATOM 0 H VAL A 6 -7.037 -34.519 -4.391 1.00 0.00 H new ATOM 0 HA VAL A 6 -7.481 -33.099 -1.987 1.00 0.00 H new ATOM 0 HB VAL A 6 -6.308 -35.862 -2.532 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -7.012 -36.350 -0.205 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -5.806 -35.042 -0.247 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -7.527 -34.658 -0.006 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -8.629 -36.621 -2.090 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -9.144 -34.929 -1.893 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -8.574 -35.507 -3.477 1.00 0.00 H new ATOM 110 N THR A 7 -4.393 -33.465 -2.937 1.00 0.00 N ATOM 111 CA THR A 7 -3.012 -33.101 -2.642 1.00 0.00 C ATOM 112 C THR A 7 -2.790 -31.607 -2.867 1.00 0.00 C ATOM 113 O THR A 7 -1.805 -31.040 -2.394 1.00 0.00 O ATOM 114 CB THR A 7 -2.060 -33.899 -3.535 1.00 0.00 C ATOM 115 OG1 THR A 7 -2.531 -35.235 -3.651 1.00 0.00 O ATOM 116 CG2 THR A 7 -0.660 -33.901 -2.921 1.00 0.00 C ATOM 0 H THR A 7 -4.547 -33.815 -3.883 1.00 0.00 H new ATOM 0 HA THR A 7 -2.811 -33.333 -1.596 1.00 0.00 H new ATOM 0 HB THR A 7 -2.019 -33.440 -4.523 1.00 0.00 H new ATOM 0 HG1 THR A 7 -3.279 -35.264 -4.284 1.00 0.00 H new ATOM 0 HG21 THR A 7 0.016 -34.470 -3.559 1.00 0.00 H new ATOM 0 HG22 THR A 7 -0.300 -32.876 -2.833 1.00 0.00 H new ATOM 0 HG23 THR A 7 -0.697 -34.358 -1.932 1.00 0.00 H new ATOM 124 N ASP A 8 -3.710 -30.978 -3.592 1.00 0.00 N ATOM 125 CA ASP A 8 -3.602 -29.551 -3.874 1.00 0.00 C ATOM 126 C ASP A 8 -3.854 -28.735 -2.616 1.00 0.00 C ATOM 127 O ASP A 8 -3.440 -27.580 -2.512 1.00 0.00 O ATOM 128 CB ASP A 8 -4.607 -29.151 -4.956 1.00 0.00 C ATOM 129 CG ASP A 8 -3.980 -29.312 -6.337 1.00 0.00 C ATOM 130 OD1 ASP A 8 -2.766 -29.246 -6.426 1.00 0.00 O ATOM 131 OD2 ASP A 8 -4.725 -29.496 -7.285 1.00 0.00 O ATOM 0 H ASP A 8 -4.532 -31.430 -3.992 1.00 0.00 H new ATOM 0 HA ASP A 8 -2.591 -29.348 -4.227 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -5.501 -29.769 -4.879 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -4.920 -28.118 -4.808 1.00 0.00 H new ATOM 136 N TYR A 9 -4.538 -29.348 -1.665 1.00 0.00 N ATOM 137 CA TYR A 9 -4.852 -28.682 -0.407 1.00 0.00 C ATOM 138 C TYR A 9 -3.656 -28.727 0.539 1.00 0.00 C ATOM 139 O TYR A 9 -3.633 -28.039 1.559 1.00 0.00 O ATOM 140 CB TYR A 9 -6.054 -29.360 0.255 1.00 0.00 C ATOM 141 CG TYR A 9 -6.593 -28.471 1.350 1.00 0.00 C ATOM 142 CD1 TYR A 9 -7.202 -27.253 1.028 1.00 0.00 C ATOM 143 CD2 TYR A 9 -6.482 -28.866 2.689 1.00 0.00 C ATOM 144 CE1 TYR A 9 -7.703 -26.430 2.044 1.00 0.00 C ATOM 145 CE2 TYR A 9 -6.981 -28.044 3.705 1.00 0.00 C ATOM 146 CZ TYR A 9 -7.592 -26.825 3.383 1.00 0.00 C ATOM 147 OH TYR A 9 -8.085 -26.015 4.385 1.00 0.00 O ATOM 0 H TYR A 9 -4.887 -30.304 -1.737 1.00 0.00 H new ATOM 0 HA TYR A 9 -5.092 -27.640 -0.620 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -6.830 -29.553 -0.486 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -5.759 -30.325 0.667 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -7.286 -26.948 -0.005 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -6.011 -29.806 2.937 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -8.175 -25.491 1.795 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -6.895 -28.349 4.737 1.00 0.00 H new ATOM 0 HH TYR A 9 -7.928 -26.438 5.255 1.00 0.00 H new ATOM 157 N LEU A 10 -2.664 -29.542 0.193 1.00 0.00 N ATOM 158 CA LEU A 10 -1.470 -29.668 1.019 1.00 0.00 C ATOM 159 C LEU A 10 -0.251 -29.115 0.286 1.00 0.00 C ATOM 160 O LEU A 10 0.887 -29.348 0.692 1.00 0.00 O ATOM 161 CB LEU A 10 -1.234 -31.137 1.374 1.00 0.00 C ATOM 162 CG LEU A 10 -2.325 -31.609 2.336 1.00 0.00 C ATOM 163 CD1 LEU A 10 -2.094 -33.079 2.691 1.00 0.00 C ATOM 164 CD2 LEU A 10 -2.283 -30.764 3.611 1.00 0.00 C ATOM 0 H LEU A 10 -2.663 -30.120 -0.647 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.620 -29.094 1.933 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.242 -31.747 0.470 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -0.252 -31.259 1.832 1.00 0.00 H new ATOM 0 HG LEU A 10 -3.299 -31.500 1.860 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.872 -33.414 3.377 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.126 -33.682 1.783 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.119 -33.190 3.166 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.061 -31.101 4.296 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.308 -30.872 4.087 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -2.450 -29.717 3.359 1.00 0.00 H new ATOM 176 N ASP A 11 -0.498 -28.377 -0.791 1.00 0.00 N ATOM 177 CA ASP A 11 0.582 -27.790 -1.570 1.00 0.00 C ATOM 178 C ASP A 11 0.252 -26.345 -1.924 1.00 0.00 C ATOM 179 O ASP A 11 -0.812 -26.057 -2.471 1.00 0.00 O ATOM 180 CB ASP A 11 0.801 -28.595 -2.853 1.00 0.00 C ATOM 181 CG ASP A 11 1.305 -29.993 -2.512 1.00 0.00 C ATOM 182 OD1 ASP A 11 0.540 -30.754 -1.941 1.00 0.00 O ATOM 183 OD2 ASP A 11 2.448 -30.283 -2.826 1.00 0.00 O ATOM 0 H ASP A 11 -1.434 -28.173 -1.142 1.00 0.00 H new ATOM 0 HA ASP A 11 1.493 -27.811 -0.972 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -0.131 -28.662 -3.413 1.00 0.00 H new ATOM 0 HB3 ASP A 11 1.522 -28.086 -3.493 1.00 0.00 H new ATOM 188 N VAL A 12 1.169 -25.443 -1.603 1.00 0.00 N ATOM 189 CA VAL A 12 0.965 -24.027 -1.887 1.00 0.00 C ATOM 190 C VAL A 12 2.021 -23.511 -2.861 1.00 0.00 C ATOM 191 O VAL A 12 3.070 -23.016 -2.450 1.00 0.00 O ATOM 192 CB VAL A 12 1.033 -23.220 -0.590 1.00 0.00 C ATOM 193 CG1 VAL A 12 -0.366 -23.114 0.020 1.00 0.00 C ATOM 194 CG2 VAL A 12 1.967 -23.922 0.399 1.00 0.00 C ATOM 0 H VAL A 12 2.056 -25.663 -1.149 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.019 -23.909 -2.342 1.00 0.00 H new ATOM 0 HB VAL A 12 1.413 -22.221 -0.804 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -0.317 -22.539 0.945 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.033 -22.615 -0.683 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.746 -24.113 0.234 1.00 0.00 H new ATOM 0 HG21 VAL A 12 2.016 -23.347 1.324 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.587 -24.921 0.612 1.00 0.00 H new ATOM 0 HG23 VAL A 12 2.964 -23.998 -0.034 1.00 0.00 H new ATOM 204 N PRO A 13 1.755 -23.618 -4.134 1.00 0.00 N ATOM 205 CA PRO A 13 2.694 -23.150 -5.196 1.00 0.00 C ATOM 206 C PRO A 13 3.104 -21.694 -4.989 1.00 0.00 C ATOM 207 O PRO A 13 2.469 -20.964 -4.227 1.00 0.00 O ATOM 208 CB PRO A 13 1.897 -23.315 -6.493 1.00 0.00 C ATOM 209 CG PRO A 13 0.835 -24.321 -6.189 1.00 0.00 C ATOM 210 CD PRO A 13 0.529 -24.197 -4.698 1.00 0.00 C ATOM 0 HA PRO A 13 3.627 -23.714 -5.196 1.00 0.00 H new ATOM 0 HB2 PRO A 13 1.460 -22.367 -6.807 1.00 0.00 H new ATOM 0 HB3 PRO A 13 2.538 -23.656 -7.306 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -0.058 -24.133 -6.785 1.00 0.00 H new ATOM 0 HG3 PRO A 13 1.174 -25.328 -6.432 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -0.335 -23.556 -4.519 1.00 0.00 H new ATOM 0 HD3 PRO A 13 0.304 -25.167 -4.254 1.00 0.00 H new ATOM 218 N SER A 14 4.166 -21.278 -5.670 1.00 0.00 N ATOM 219 CA SER A 14 4.645 -19.905 -5.545 1.00 0.00 C ATOM 220 C SER A 14 3.542 -18.919 -5.910 1.00 0.00 C ATOM 221 O SER A 14 3.649 -17.722 -5.640 1.00 0.00 O ATOM 222 CB SER A 14 5.854 -19.685 -6.454 1.00 0.00 C ATOM 223 OG SER A 14 5.966 -18.302 -6.762 1.00 0.00 O ATOM 0 H SER A 14 4.707 -21.863 -6.307 1.00 0.00 H new ATOM 0 HA SER A 14 4.939 -19.736 -4.509 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.762 -20.034 -5.962 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.745 -20.265 -7.370 1.00 0.00 H new ATOM 0 HG SER A 14 5.358 -17.789 -6.189 1.00 0.00 H new ATOM 229 N ASN A 15 2.479 -19.430 -6.518 1.00 0.00 N ATOM 230 CA ASN A 15 1.363 -18.582 -6.904 1.00 0.00 C ATOM 231 C ASN A 15 0.825 -17.847 -5.684 1.00 0.00 C ATOM 232 O ASN A 15 0.284 -16.746 -5.796 1.00 0.00 O ATOM 233 CB ASN A 15 0.252 -19.428 -7.528 1.00 0.00 C ATOM 234 CG ASN A 15 0.843 -20.387 -8.556 1.00 0.00 C ATOM 235 OD1 ASN A 15 2.011 -20.761 -8.456 1.00 0.00 O ATOM 236 ND2 ASN A 15 0.102 -20.811 -9.543 1.00 0.00 N ATOM 0 H ASN A 15 2.368 -20.417 -6.752 1.00 0.00 H new ATOM 0 HA ASN A 15 1.710 -17.854 -7.637 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -0.269 -19.989 -6.752 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -0.486 -18.781 -8.003 1.00 0.00 H new ATOM 0 HD21 ASN A 15 0.491 -21.454 -10.233 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -0.866 -20.500 -9.624 1.00 0.00 H new ATOM 243 N ILE A 16 0.986 -18.461 -4.516 1.00 0.00 N ATOM 244 CA ILE A 16 0.519 -17.852 -3.276 1.00 0.00 C ATOM 245 C ILE A 16 1.476 -16.762 -2.834 1.00 0.00 C ATOM 246 O ILE A 16 1.116 -15.866 -2.075 1.00 0.00 O ATOM 247 CB ILE A 16 0.384 -18.915 -2.184 1.00 0.00 C ATOM 248 CG1 ILE A 16 -0.990 -19.583 -2.295 1.00 0.00 C ATOM 249 CG2 ILE A 16 0.523 -18.262 -0.808 1.00 0.00 C ATOM 250 CD1 ILE A 16 -2.026 -18.749 -1.539 1.00 0.00 C ATOM 0 H ILE A 16 1.432 -19.371 -4.402 1.00 0.00 H new ATOM 0 HA ILE A 16 -0.460 -17.406 -3.452 1.00 0.00 H new ATOM 0 HB ILE A 16 1.167 -19.663 -2.308 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.277 -19.676 -3.342 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.950 -20.592 -1.884 1.00 0.00 H new ATOM 0 HG21 ILE A 16 0.426 -19.022 -0.033 1.00 0.00 H new ATOM 0 HG22 ILE A 16 1.500 -17.785 -0.729 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.258 -17.512 -0.680 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -3.004 -19.224 -1.618 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -1.741 -18.678 -0.489 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.073 -17.749 -1.970 1.00 0.00 H new ATOM 262 N ALA A 17 2.689 -16.856 -3.331 1.00 0.00 N ATOM 263 CA ALA A 17 3.728 -15.881 -3.017 1.00 0.00 C ATOM 264 C ALA A 17 3.503 -14.597 -3.808 1.00 0.00 C ATOM 265 O ALA A 17 3.878 -13.509 -3.374 1.00 0.00 O ATOM 266 CB ALA A 17 5.101 -16.454 -3.360 1.00 0.00 C ATOM 0 H ALA A 17 2.989 -17.601 -3.960 1.00 0.00 H new ATOM 0 HA ALA A 17 3.684 -15.657 -1.951 1.00 0.00 H new ATOM 0 HB1 ALA A 17 5.871 -15.720 -3.123 1.00 0.00 H new ATOM 0 HB2 ALA A 17 5.272 -17.360 -2.779 1.00 0.00 H new ATOM 0 HB3 ALA A 17 5.141 -16.691 -4.423 1.00 0.00 H new ATOM 272 N LYS A 18 2.880 -14.744 -4.971 1.00 0.00 N ATOM 273 CA LYS A 18 2.592 -13.606 -5.832 1.00 0.00 C ATOM 274 C LYS A 18 1.240 -13.035 -5.463 1.00 0.00 C ATOM 275 O LYS A 18 0.994 -11.835 -5.583 1.00 0.00 O ATOM 276 CB LYS A 18 2.587 -14.036 -7.300 1.00 0.00 C ATOM 277 CG LYS A 18 3.861 -13.539 -7.982 1.00 0.00 C ATOM 278 CD LYS A 18 5.072 -14.247 -7.378 1.00 0.00 C ATOM 279 CE LYS A 18 6.355 -13.555 -7.841 1.00 0.00 C ATOM 280 NZ LYS A 18 7.523 -14.439 -7.565 1.00 0.00 N ATOM 0 H LYS A 18 2.565 -15.642 -5.339 1.00 0.00 H new ATOM 0 HA LYS A 18 3.364 -12.849 -5.695 1.00 0.00 H new ATOM 0 HB2 LYS A 18 2.524 -15.122 -7.372 1.00 0.00 H new ATOM 0 HB3 LYS A 18 1.710 -13.632 -7.805 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.811 -13.731 -9.054 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.957 -12.461 -7.856 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.010 -14.230 -6.290 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.082 -15.294 -7.681 1.00 0.00 H new ATOM 0 HE2 LYS A 18 6.297 -13.333 -8.907 1.00 0.00 H new ATOM 0 HE3 LYS A 18 6.475 -12.603 -7.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 8.396 -13.969 -7.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 7.581 -14.629 -6.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 7.408 -15.336 -8.078 1.00 0.00 H new ATOM 294 N ILE A 19 0.378 -13.917 -4.988 1.00 0.00 N ATOM 295 CA ILE A 19 -0.952 -13.519 -4.566 1.00 0.00 C ATOM 296 C ILE A 19 -0.877 -12.987 -3.147 1.00 0.00 C ATOM 297 O ILE A 19 -1.794 -12.323 -2.669 1.00 0.00 O ATOM 298 CB ILE A 19 -1.900 -14.716 -4.618 1.00 0.00 C ATOM 299 CG1 ILE A 19 -2.077 -15.161 -6.071 1.00 0.00 C ATOM 300 CG2 ILE A 19 -3.258 -14.316 -4.037 1.00 0.00 C ATOM 301 CD1 ILE A 19 -2.670 -16.571 -6.106 1.00 0.00 C ATOM 0 H ILE A 19 0.576 -14.912 -4.885 1.00 0.00 H new ATOM 0 HA ILE A 19 -1.330 -12.745 -5.234 1.00 0.00 H new ATOM 0 HB ILE A 19 -1.483 -15.537 -4.034 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.732 -14.467 -6.598 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.117 -15.146 -6.586 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -3.935 -15.169 -4.074 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.131 -13.997 -3.002 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.676 -13.496 -4.621 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.796 -16.887 -7.142 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.999 -17.261 -5.595 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -3.639 -16.571 -5.607 1.00 0.00 H new ATOM 313 N ILE A 20 0.232 -13.292 -2.481 1.00 0.00 N ATOM 314 CA ILE A 20 0.431 -12.840 -1.105 1.00 0.00 C ATOM 315 C ILE A 20 1.044 -11.443 -1.073 1.00 0.00 C ATOM 316 O ILE A 20 0.568 -10.565 -0.354 1.00 0.00 O ATOM 317 CB ILE A 20 1.342 -13.816 -0.354 1.00 0.00 C ATOM 318 CG1 ILE A 20 0.500 -14.963 0.206 1.00 0.00 C ATOM 319 CG2 ILE A 20 2.039 -13.088 0.799 1.00 0.00 C ATOM 320 CD1 ILE A 20 -0.083 -14.556 1.562 1.00 0.00 C ATOM 0 H ILE A 20 1.000 -13.844 -2.864 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.544 -12.805 -0.618 1.00 0.00 H new ATOM 0 HB ILE A 20 2.093 -14.210 -1.038 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -0.304 -15.210 -0.488 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.113 -15.858 0.316 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.686 -13.785 1.331 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.637 -12.268 0.403 1.00 0.00 H new ATOM 0 HG23 ILE A 20 1.290 -12.692 1.485 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -0.683 -15.374 1.960 1.00 0.00 H new ATOM 0 HD12 ILE A 20 0.728 -14.331 2.254 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -0.710 -13.673 1.438 1.00 0.00 H new ATOM 332 N ILE A 21 2.105 -11.245 -1.847 1.00 0.00 N ATOM 333 CA ILE A 21 2.775 -9.949 -1.888 1.00 0.00 C ATOM 334 C ILE A 21 2.132 -9.038 -2.929 1.00 0.00 C ATOM 335 O ILE A 21 2.039 -7.825 -2.733 1.00 0.00 O ATOM 336 CB ILE A 21 4.256 -10.142 -2.216 1.00 0.00 C ATOM 337 CG1 ILE A 21 4.967 -8.787 -2.178 1.00 0.00 C ATOM 338 CG2 ILE A 21 4.397 -10.752 -3.610 1.00 0.00 C ATOM 339 CD1 ILE A 21 6.465 -9.005 -1.953 1.00 0.00 C ATOM 0 H ILE A 21 2.517 -11.957 -2.450 1.00 0.00 H new ATOM 0 HA ILE A 21 2.676 -9.479 -0.909 1.00 0.00 H new ATOM 0 HB ILE A 21 4.705 -10.810 -1.482 1.00 0.00 H new ATOM 0 HG12 ILE A 21 4.803 -8.251 -3.113 1.00 0.00 H new ATOM 0 HG13 ILE A 21 4.554 -8.170 -1.380 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.453 -10.889 -3.842 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.891 -11.717 -3.638 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.947 -10.086 -4.346 1.00 0.00 H new ATOM 0 HD11 ILE A 21 6.973 -8.041 -1.926 1.00 0.00 H new ATOM 0 HD12 ILE A 21 6.619 -9.523 -1.007 1.00 0.00 H new ATOM 0 HD13 ILE A 21 6.871 -9.606 -2.766 1.00 0.00 H new ATOM 351 N GLY A 22 1.694 -9.627 -4.037 1.00 0.00 N ATOM 352 CA GLY A 22 1.064 -8.855 -5.104 1.00 0.00 C ATOM 353 C GLY A 22 0.061 -7.854 -4.540 1.00 0.00 C ATOM 354 O GLY A 22 0.111 -6.663 -4.854 1.00 0.00 O ATOM 0 H GLY A 22 1.762 -10.628 -4.220 1.00 0.00 H new ATOM 0 HA2 GLY A 22 1.828 -8.327 -5.674 1.00 0.00 H new ATOM 0 HA3 GLY A 22 0.559 -9.530 -5.796 1.00 0.00 H new ATOM 358 N PRO A 23 -0.843 -8.316 -3.721 1.00 0.00 N ATOM 359 CA PRO A 23 -1.884 -7.449 -3.101 1.00 0.00 C ATOM 360 C PRO A 23 -1.271 -6.249 -2.389 1.00 0.00 C ATOM 361 O PRO A 23 -1.878 -5.181 -2.316 1.00 0.00 O ATOM 362 CB PRO A 23 -2.596 -8.367 -2.104 1.00 0.00 C ATOM 363 CG PRO A 23 -2.303 -9.760 -2.554 1.00 0.00 C ATOM 364 CD PRO A 23 -0.967 -9.717 -3.295 1.00 0.00 C ATOM 0 HA PRO A 23 -2.559 -7.030 -3.847 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -2.233 -8.199 -1.090 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -3.669 -8.177 -2.094 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -2.250 -10.438 -1.702 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -3.094 -10.129 -3.206 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -0.141 -10.012 -2.647 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -0.961 -10.396 -4.148 1.00 0.00 H new ATOM 372 N LEU A 24 -0.062 -6.431 -1.869 1.00 0.00 N ATOM 373 CA LEU A 24 0.619 -5.349 -1.172 1.00 0.00 C ATOM 374 C LEU A 24 1.239 -4.390 -2.172 1.00 0.00 C ATOM 375 O LEU A 24 1.177 -3.173 -2.000 1.00 0.00 O ATOM 376 CB LEU A 24 1.701 -5.911 -0.245 1.00 0.00 C ATOM 377 CG LEU A 24 1.292 -5.689 1.212 1.00 0.00 C ATOM 378 CD1 LEU A 24 2.204 -6.505 2.129 1.00 0.00 C ATOM 379 CD2 LEU A 24 1.421 -4.203 1.556 1.00 0.00 C ATOM 0 H LEU A 24 0.460 -7.306 -1.916 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.112 -4.809 -0.571 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.842 -6.975 -0.436 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.655 -5.423 -0.444 1.00 0.00 H new ATOM 0 HG LEU A 24 0.259 -6.007 1.352 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.912 -6.346 3.167 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.113 -7.563 1.884 1.00 0.00 H new ATOM 0 HD13 LEU A 24 3.238 -6.188 1.990 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.130 -4.043 2.594 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.454 -3.885 1.416 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.771 -3.621 0.903 1.00 0.00 H new ATOM 391 N ILE A 25 1.814 -4.940 -3.230 1.00 0.00 N ATOM 392 CA ILE A 25 2.410 -4.110 -4.261 1.00 0.00 C ATOM 393 C ILE A 25 1.400 -3.053 -4.685 1.00 0.00 C ATOM 394 O ILE A 25 1.763 -1.930 -5.033 1.00 0.00 O ATOM 395 CB ILE A 25 2.815 -4.963 -5.465 1.00 0.00 C ATOM 396 CG1 ILE A 25 4.222 -5.523 -5.240 1.00 0.00 C ATOM 397 CG2 ILE A 25 2.810 -4.101 -6.730 1.00 0.00 C ATOM 398 CD1 ILE A 25 4.554 -6.531 -6.342 1.00 0.00 C ATOM 0 H ILE A 25 1.880 -5.944 -3.395 1.00 0.00 H new ATOM 0 HA ILE A 25 3.306 -3.629 -3.868 1.00 0.00 H new ATOM 0 HB ILE A 25 2.107 -5.784 -5.582 1.00 0.00 H new ATOM 0 HG12 ILE A 25 4.952 -4.713 -5.242 1.00 0.00 H new ATOM 0 HG13 ILE A 25 4.282 -6.003 -4.263 1.00 0.00 H new ATOM 0 HG21 ILE A 25 3.099 -4.710 -7.587 1.00 0.00 H new ATOM 0 HG22 ILE A 25 1.810 -3.698 -6.892 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.518 -3.280 -6.614 1.00 0.00 H new ATOM 0 HD11 ILE A 25 5.556 -6.929 -6.181 1.00 0.00 H new ATOM 0 HD12 ILE A 25 3.831 -7.347 -6.319 1.00 0.00 H new ATOM 0 HD13 ILE A 25 4.512 -6.036 -7.312 1.00 0.00 H new ATOM 410 N PHE A 26 0.124 -3.430 -4.644 1.00 0.00 N ATOM 411 CA PHE A 26 -0.947 -2.513 -5.018 1.00 0.00 C ATOM 412 C PHE A 26 -1.071 -1.394 -3.990 1.00 0.00 C ATOM 413 O PHE A 26 -1.279 -0.232 -4.342 1.00 0.00 O ATOM 414 CB PHE A 26 -2.274 -3.269 -5.120 1.00 0.00 C ATOM 415 CG PHE A 26 -2.460 -3.769 -6.533 1.00 0.00 C ATOM 416 CD1 PHE A 26 -1.362 -4.262 -7.248 1.00 0.00 C ATOM 417 CD2 PHE A 26 -3.726 -3.739 -7.128 1.00 0.00 C ATOM 418 CE1 PHE A 26 -1.530 -4.726 -8.558 1.00 0.00 C ATOM 419 CE2 PHE A 26 -3.895 -4.203 -8.438 1.00 0.00 C ATOM 420 CZ PHE A 26 -2.798 -4.696 -9.153 1.00 0.00 C ATOM 0 H PHE A 26 -0.191 -4.357 -4.358 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.707 -2.077 -5.988 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -2.283 -4.106 -4.422 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -3.100 -2.614 -4.843 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -0.385 -4.284 -6.789 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -4.573 -3.358 -6.577 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -0.683 -5.107 -9.109 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -4.872 -4.180 -8.897 1.00 0.00 H new ATOM 0 HZ PHE A 26 -2.929 -5.053 -10.164 1.00 0.00 H new ATOM 430 N VAL A 27 -0.938 -1.753 -2.717 1.00 0.00 N ATOM 431 CA VAL A 27 -1.031 -0.773 -1.642 1.00 0.00 C ATOM 432 C VAL A 27 0.175 0.160 -1.672 1.00 0.00 C ATOM 433 O VAL A 27 0.073 1.335 -1.319 1.00 0.00 O ATOM 434 CB VAL A 27 -1.097 -1.486 -0.292 1.00 0.00 C ATOM 435 CG1 VAL A 27 -1.324 -0.462 0.820 1.00 0.00 C ATOM 436 CG2 VAL A 27 -2.252 -2.490 -0.304 1.00 0.00 C ATOM 0 H VAL A 27 -0.767 -2.709 -2.406 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.937 -0.184 -1.783 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.158 -2.010 -0.113 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.371 -0.973 1.781 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.502 0.254 0.829 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -2.262 0.065 0.643 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.301 -3.000 0.658 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.190 -1.964 -0.484 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.089 -3.222 -1.095 1.00 0.00 H new ATOM 446 N PHE A 28 1.315 -0.374 -2.097 1.00 0.00 N ATOM 447 CA PHE A 28 2.538 0.417 -2.174 1.00 0.00 C ATOM 448 C PHE A 28 2.437 1.436 -3.302 1.00 0.00 C ATOM 449 O PHE A 28 2.951 2.550 -3.195 1.00 0.00 O ATOM 450 CB PHE A 28 3.739 -0.500 -2.414 1.00 0.00 C ATOM 451 CG PHE A 28 5.014 0.252 -2.122 1.00 0.00 C ATOM 452 CD1 PHE A 28 5.411 0.470 -0.798 1.00 0.00 C ATOM 453 CD2 PHE A 28 5.801 0.731 -3.177 1.00 0.00 C ATOM 454 CE1 PHE A 28 6.595 1.167 -0.527 1.00 0.00 C ATOM 455 CE2 PHE A 28 6.984 1.429 -2.906 1.00 0.00 C ATOM 456 CZ PHE A 28 7.381 1.647 -1.581 1.00 0.00 C ATOM 0 H PHE A 28 1.418 -1.345 -2.392 1.00 0.00 H new ATOM 0 HA PHE A 28 2.672 0.945 -1.230 1.00 0.00 H new ATOM 0 HB2 PHE A 28 3.670 -1.381 -1.776 1.00 0.00 H new ATOM 0 HB3 PHE A 28 3.740 -0.852 -3.445 1.00 0.00 H new ATOM 0 HD1 PHE A 28 4.804 0.101 0.015 1.00 0.00 H new ATOM 0 HD2 PHE A 28 5.495 0.562 -4.199 1.00 0.00 H new ATOM 0 HE1 PHE A 28 6.902 1.334 0.495 1.00 0.00 H new ATOM 0 HE2 PHE A 28 7.591 1.799 -3.719 1.00 0.00 H new ATOM 0 HZ PHE A 28 8.294 2.185 -1.372 1.00 0.00 H new ATOM 466 N LEU A 29 1.763 1.050 -4.380 1.00 0.00 N ATOM 467 CA LEU A 29 1.591 1.941 -5.520 1.00 0.00 C ATOM 468 C LEU A 29 0.650 3.079 -5.150 1.00 0.00 C ATOM 469 O LEU A 29 0.805 4.206 -5.621 1.00 0.00 O ATOM 470 CB LEU A 29 1.021 1.167 -6.709 1.00 0.00 C ATOM 471 CG LEU A 29 2.147 0.399 -7.402 1.00 0.00 C ATOM 472 CD1 LEU A 29 1.549 -0.644 -8.347 1.00 0.00 C ATOM 473 CD2 LEU A 29 3.012 1.376 -8.204 1.00 0.00 C ATOM 0 H LEU A 29 1.330 0.133 -4.488 1.00 0.00 H new ATOM 0 HA LEU A 29 2.562 2.353 -5.796 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.249 0.476 -6.371 1.00 0.00 H new ATOM 0 HB3 LEU A 29 0.548 1.854 -7.411 1.00 0.00 H new ATOM 0 HG LEU A 29 2.760 -0.100 -6.652 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.352 -1.191 -8.841 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.933 -1.340 -7.778 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.935 -0.146 -9.097 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.815 0.829 -8.698 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.398 1.875 -8.953 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.440 2.120 -7.532 1.00 0.00 H new ATOM 485 N PHE A 30 -0.319 2.777 -4.293 1.00 0.00 N ATOM 486 CA PHE A 30 -1.276 3.783 -3.852 1.00 0.00 C ATOM 487 C PHE A 30 -0.585 4.790 -2.941 1.00 0.00 C ATOM 488 O PHE A 30 -0.827 5.994 -3.031 1.00 0.00 O ATOM 489 CB PHE A 30 -2.429 3.115 -3.099 1.00 0.00 C ATOM 490 CG PHE A 30 -3.629 3.005 -4.008 1.00 0.00 C ATOM 491 CD1 PHE A 30 -3.456 2.689 -5.361 1.00 0.00 C ATOM 492 CD2 PHE A 30 -4.916 3.219 -3.498 1.00 0.00 C ATOM 493 CE1 PHE A 30 -4.569 2.587 -6.204 1.00 0.00 C ATOM 494 CE2 PHE A 30 -6.029 3.117 -4.340 1.00 0.00 C ATOM 495 CZ PHE A 30 -5.855 2.801 -5.694 1.00 0.00 C ATOM 0 H PHE A 30 -0.462 1.850 -3.892 1.00 0.00 H new ATOM 0 HA PHE A 30 -1.672 4.300 -4.726 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.128 2.125 -2.756 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -2.683 3.696 -2.213 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -2.464 2.524 -5.754 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -5.049 3.463 -2.454 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -4.436 2.343 -7.248 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -7.021 3.282 -3.947 1.00 0.00 H new ATOM 0 HZ PHE A 30 -6.714 2.722 -6.345 1.00 0.00 H new ATOM 505 N SER A 31 0.282 4.286 -2.069 1.00 0.00 N ATOM 506 CA SER A 31 1.014 5.145 -1.146 1.00 0.00 C ATOM 507 C SER A 31 2.012 6.013 -1.902 1.00 0.00 C ATOM 508 O SER A 31 2.229 7.175 -1.559 1.00 0.00 O ATOM 509 CB SER A 31 1.752 4.296 -0.112 1.00 0.00 C ATOM 510 OG SER A 31 3.153 4.493 -0.254 1.00 0.00 O ATOM 0 H SER A 31 0.494 3.292 -1.982 1.00 0.00 H new ATOM 0 HA SER A 31 0.299 5.792 -0.637 1.00 0.00 H new ATOM 0 HB2 SER A 31 1.435 4.571 0.894 1.00 0.00 H new ATOM 0 HB3 SER A 31 1.506 3.243 -0.247 1.00 0.00 H new ATOM 0 HG SER A 31 3.629 3.951 0.409 1.00 0.00 H new ATOM 516 N VAL A 32 2.615 5.434 -2.930 1.00 0.00 N ATOM 517 CA VAL A 32 3.596 6.151 -3.737 1.00 0.00 C ATOM 518 C VAL A 32 2.945 7.335 -4.445 1.00 0.00 C ATOM 519 O VAL A 32 3.557 8.392 -4.597 1.00 0.00 O ATOM 520 CB VAL A 32 4.209 5.209 -4.774 1.00 0.00 C ATOM 521 CG1 VAL A 32 4.804 6.028 -5.920 1.00 0.00 C ATOM 522 CG2 VAL A 32 5.313 4.378 -4.116 1.00 0.00 C ATOM 0 H VAL A 32 2.444 4.473 -3.226 1.00 0.00 H new ATOM 0 HA VAL A 32 4.379 6.523 -3.076 1.00 0.00 H new ATOM 0 HB VAL A 32 3.437 4.546 -5.164 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.241 5.356 -6.659 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.019 6.622 -6.389 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.577 6.691 -5.531 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.751 3.706 -4.854 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.085 5.042 -3.726 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.890 3.794 -3.299 1.00 0.00 H new ATOM 532 N VAL A 33 1.701 7.153 -4.877 1.00 0.00 N ATOM 533 CA VAL A 33 0.980 8.216 -5.566 1.00 0.00 C ATOM 534 C VAL A 33 0.640 9.344 -4.598 1.00 0.00 C ATOM 535 O VAL A 33 0.835 10.519 -4.904 1.00 0.00 O ATOM 536 CB VAL A 33 -0.304 7.660 -6.182 1.00 0.00 C ATOM 537 CG1 VAL A 33 -1.092 8.795 -6.839 1.00 0.00 C ATOM 538 CG2 VAL A 33 0.055 6.610 -7.238 1.00 0.00 C ATOM 0 H VAL A 33 1.175 6.286 -4.763 1.00 0.00 H new ATOM 0 HA VAL A 33 1.617 8.612 -6.356 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.913 7.202 -5.402 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.007 8.396 -7.277 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.346 9.544 -6.089 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.486 9.254 -7.620 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.858 6.211 -7.680 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.664 7.070 -8.016 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.615 5.801 -6.770 1.00 0.00 H new ATOM 548 N ILE A 34 0.133 8.976 -3.426 1.00 0.00 N ATOM 549 CA ILE A 34 -0.228 9.963 -2.414 1.00 0.00 C ATOM 550 C ILE A 34 1.009 10.700 -1.921 1.00 0.00 C ATOM 551 O ILE A 34 0.916 11.786 -1.352 1.00 0.00 O ATOM 552 CB ILE A 34 -0.918 9.278 -1.234 1.00 0.00 C ATOM 553 CG1 ILE A 34 -2.065 8.405 -1.752 1.00 0.00 C ATOM 554 CG2 ILE A 34 -1.475 10.338 -0.284 1.00 0.00 C ATOM 555 CD1 ILE A 34 -2.333 7.273 -0.759 1.00 0.00 C ATOM 0 H ILE A 34 -0.037 8.008 -3.154 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.912 10.682 -2.865 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.198 8.656 -0.703 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -2.964 9.008 -1.884 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.811 7.994 -2.729 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.967 9.850 0.557 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -0.660 10.961 0.084 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.196 10.960 -0.815 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.149 6.652 -1.127 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.435 6.665 -0.649 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.606 7.695 0.208 1.00 0.00 H new ATOM 567 N GLY A 35 2.164 10.091 -2.138 1.00 0.00 N ATOM 568 CA GLY A 35 3.425 10.680 -1.707 1.00 0.00 C ATOM 569 C GLY A 35 3.845 11.832 -2.604 1.00 0.00 C ATOM 570 O GLY A 35 4.042 12.955 -2.139 1.00 0.00 O ATOM 0 H GLY A 35 2.256 9.191 -2.609 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.329 11.035 -0.681 1.00 0.00 H new ATOM 0 HA3 GLY A 35 4.202 9.916 -1.708 1.00 0.00 H new ATOM 574 N SER A 36 3.974 11.549 -3.892 1.00 0.00 N ATOM 575 CA SER A 36 4.362 12.574 -4.842 1.00 0.00 C ATOM 576 C SER A 36 3.247 13.595 -4.943 1.00 0.00 C ATOM 577 O SER A 36 3.472 14.760 -5.265 1.00 0.00 O ATOM 578 CB SER A 36 4.629 11.956 -6.215 1.00 0.00 C ATOM 579 OG SER A 36 3.402 11.498 -6.770 1.00 0.00 O ATOM 0 H SER A 36 3.817 10.626 -4.298 1.00 0.00 H new ATOM 0 HA SER A 36 5.278 13.057 -4.500 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.088 12.692 -6.875 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.332 11.128 -6.124 1.00 0.00 H new ATOM 0 HG SER A 36 3.569 11.103 -7.651 1.00 0.00 H new ATOM 585 N ILE A 37 2.041 13.135 -4.647 1.00 0.00 N ATOM 586 CA ILE A 37 0.874 14.008 -4.688 1.00 0.00 C ATOM 587 C ILE A 37 0.881 14.938 -3.481 1.00 0.00 C ATOM 588 O ILE A 37 0.536 16.115 -3.585 1.00 0.00 O ATOM 589 CB ILE A 37 -0.407 13.173 -4.698 1.00 0.00 C ATOM 590 CG1 ILE A 37 -0.762 12.794 -6.140 1.00 0.00 C ATOM 591 CG2 ILE A 37 -1.556 13.976 -4.083 1.00 0.00 C ATOM 592 CD1 ILE A 37 -1.033 14.058 -6.961 1.00 0.00 C ATOM 0 H ILE A 37 1.844 12.171 -4.378 1.00 0.00 H new ATOM 0 HA ILE A 37 0.911 14.606 -5.599 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.248 12.268 -4.112 1.00 0.00 H new ATOM 0 HG12 ILE A 37 0.055 12.228 -6.588 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.640 12.149 -6.150 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -2.466 13.376 -4.093 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -1.306 14.239 -3.055 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -1.715 14.886 -4.662 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.285 13.780 -7.985 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -1.864 14.607 -6.519 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.143 14.687 -6.964 1.00 0.00 H new ATOM 604 N TYR A 38 1.281 14.393 -2.336 1.00 0.00 N ATOM 605 CA TYR A 38 1.337 15.173 -1.105 1.00 0.00 C ATOM 606 C TYR A 38 2.058 16.497 -1.343 1.00 0.00 C ATOM 607 O TYR A 38 1.674 17.531 -0.796 1.00 0.00 O ATOM 608 CB TYR A 38 2.071 14.379 -0.019 1.00 0.00 C ATOM 609 CG TYR A 38 1.207 14.289 1.218 1.00 0.00 C ATOM 610 CD1 TYR A 38 -0.011 13.603 1.173 1.00 0.00 C ATOM 611 CD2 TYR A 38 1.629 14.889 2.410 1.00 0.00 C ATOM 612 CE1 TYR A 38 -0.810 13.518 2.320 1.00 0.00 C ATOM 613 CE2 TYR A 38 0.831 14.805 3.557 1.00 0.00 C ATOM 614 CZ TYR A 38 -0.389 14.119 3.512 1.00 0.00 C ATOM 615 OH TYR A 38 -1.176 14.035 4.643 1.00 0.00 O ATOM 0 H TYR A 38 1.570 13.420 -2.235 1.00 0.00 H new ATOM 0 HA TYR A 38 0.318 15.380 -0.780 1.00 0.00 H new ATOM 0 HB2 TYR A 38 2.307 13.379 -0.383 1.00 0.00 H new ATOM 0 HB3 TYR A 38 3.018 14.863 0.221 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -0.335 13.139 0.253 1.00 0.00 H new ATOM 0 HD2 TYR A 38 2.571 15.417 2.445 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -1.751 12.989 2.285 1.00 0.00 H new ATOM 0 HE2 TYR A 38 1.156 15.269 4.476 1.00 0.00 H new ATOM 0 HH TYR A 38 -0.737 14.505 5.383 1.00 0.00 H new ATOM 625 N LEU A 39 3.105 16.458 -2.163 1.00 0.00 N ATOM 626 CA LEU A 39 3.870 17.663 -2.464 1.00 0.00 C ATOM 627 C LEU A 39 2.934 18.810 -2.831 1.00 0.00 C ATOM 628 O LEU A 39 3.034 19.906 -2.278 1.00 0.00 O ATOM 629 CB LEU A 39 4.833 17.397 -3.623 1.00 0.00 C ATOM 630 CG LEU A 39 6.207 17.981 -3.291 1.00 0.00 C ATOM 631 CD1 LEU A 39 7.231 17.492 -4.316 1.00 0.00 C ATOM 632 CD2 LEU A 39 6.134 19.510 -3.334 1.00 0.00 C ATOM 0 H LEU A 39 3.440 15.614 -2.627 1.00 0.00 H new ATOM 0 HA LEU A 39 4.440 17.941 -1.577 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.916 16.325 -3.802 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.448 17.844 -4.539 1.00 0.00 H new ATOM 0 HG LEU A 39 6.508 17.658 -2.294 1.00 0.00 H new ATOM 0 HD11 LEU A 39 8.210 17.908 -4.079 1.00 0.00 H new ATOM 0 HD12 LEU A 39 7.283 16.404 -4.288 1.00 0.00 H new ATOM 0 HD13 LEU A 39 6.931 17.815 -5.313 1.00 0.00 H new ATOM 0 HD21 LEU A 39 7.113 19.928 -3.098 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.833 19.832 -4.331 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.404 19.860 -2.604 1.00 0.00 H new ATOM 644 N PHE A 40 2.024 18.547 -3.761 1.00 0.00 N ATOM 645 CA PHE A 40 1.071 19.564 -4.193 1.00 0.00 C ATOM 646 C PHE A 40 0.124 19.924 -3.052 1.00 0.00 C ATOM 647 O PHE A 40 -0.517 20.975 -3.072 1.00 0.00 O ATOM 648 CB PHE A 40 0.264 19.051 -5.387 1.00 0.00 C ATOM 649 CG PHE A 40 0.872 19.567 -6.669 1.00 0.00 C ATOM 650 CD1 PHE A 40 0.795 20.929 -6.983 1.00 0.00 C ATOM 651 CD2 PHE A 40 1.513 18.682 -7.544 1.00 0.00 C ATOM 652 CE1 PHE A 40 1.358 21.406 -8.173 1.00 0.00 C ATOM 653 CE2 PHE A 40 2.077 19.159 -8.734 1.00 0.00 C ATOM 654 CZ PHE A 40 2.000 20.521 -9.048 1.00 0.00 C ATOM 0 H PHE A 40 1.925 17.646 -4.228 1.00 0.00 H new ATOM 0 HA PHE A 40 1.625 20.455 -4.488 1.00 0.00 H new ATOM 0 HB2 PHE A 40 0.254 17.961 -5.391 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -0.772 19.379 -5.306 1.00 0.00 H new ATOM 0 HD1 PHE A 40 0.301 21.612 -6.307 1.00 0.00 H new ATOM 0 HD2 PHE A 40 1.573 17.631 -7.301 1.00 0.00 H new ATOM 0 HE1 PHE A 40 1.297 22.457 -8.416 1.00 0.00 H new ATOM 0 HE2 PHE A 40 2.571 18.476 -9.409 1.00 0.00 H new ATOM 0 HZ PHE A 40 2.436 20.889 -9.965 1.00 0.00 H new ATOM 664 N LEU A 41 0.042 19.043 -2.062 1.00 0.00 N ATOM 665 CA LEU A 41 -0.828 19.273 -0.914 1.00 0.00 C ATOM 666 C LEU A 41 -0.259 20.367 -0.022 1.00 0.00 C ATOM 667 O LEU A 41 -0.938 20.878 0.869 1.00 0.00 O ATOM 668 CB LEU A 41 -0.989 17.981 -0.110 1.00 0.00 C ATOM 669 CG LEU A 41 -2.286 18.037 0.699 1.00 0.00 C ATOM 670 CD1 LEU A 41 -3.480 17.836 -0.235 1.00 0.00 C ATOM 671 CD2 LEU A 41 -2.274 16.927 1.754 1.00 0.00 C ATOM 0 H LEU A 41 0.564 18.167 -2.030 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.804 19.592 -1.280 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.004 17.123 -0.782 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.138 17.848 0.558 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.367 19.007 1.189 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.404 17.876 0.342 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.489 18.623 -0.989 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.400 16.865 -0.725 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.197 16.965 2.332 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.193 15.958 1.262 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.423 17.067 2.420 1.00 0.00 H new ATOM 683 N ARG A 42 0.990 20.715 -0.273 1.00 0.00 N ATOM 684 CA ARG A 42 1.662 21.749 0.506 1.00 0.00 C ATOM 685 C ARG A 42 1.672 23.072 -0.254 1.00 0.00 C ATOM 686 O ARG A 42 2.127 24.092 0.262 1.00 0.00 O ATOM 687 CB ARG A 42 3.101 21.322 0.807 1.00 0.00 C ATOM 688 CG ARG A 42 3.472 21.742 2.230 1.00 0.00 C ATOM 689 CD ARG A 42 2.707 20.876 3.232 1.00 0.00 C ATOM 690 NE ARG A 42 3.594 20.443 4.307 1.00 0.00 N ATOM 691 CZ ARG A 42 4.679 19.719 4.052 1.00 0.00 C ATOM 692 NH1 ARG A 42 4.964 19.381 2.824 1.00 0.00 N ATOM 693 NH2 ARG A 42 5.459 19.346 5.030 1.00 0.00 N ATOM 0 H ARG A 42 1.562 20.300 -1.008 1.00 0.00 H new ATOM 0 HA ARG A 42 1.118 21.884 1.441 1.00 0.00 H new ATOM 0 HB2 ARG A 42 3.201 20.242 0.698 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.784 21.780 0.092 1.00 0.00 H new ATOM 0 HG2 ARG A 42 4.546 21.634 2.385 1.00 0.00 H new ATOM 0 HG3 ARG A 42 3.232 22.794 2.385 1.00 0.00 H new ATOM 0 HD2 ARG A 42 1.871 21.439 3.646 1.00 0.00 H new ATOM 0 HD3 ARG A 42 2.287 20.007 2.726 1.00 0.00 H new ATOM 0 HE ARG A 42 3.378 20.700 5.270 1.00 0.00 H new ATOM 0 HH11 ARG A 42 4.354 19.673 2.060 1.00 0.00 H new ATOM 0 HH12 ARG A 42 5.797 18.825 2.628 1.00 0.00 H new ATOM 0 HH21 ARG A 42 5.236 19.610 5.990 1.00 0.00 H new ATOM 0 HH22 ARG A 42 6.292 18.790 4.835 1.00 0.00 H new ATOM 707 N LYS A 43 1.168 23.045 -1.484 1.00 0.00 N ATOM 708 CA LYS A 43 1.125 24.247 -2.309 1.00 0.00 C ATOM 709 C LYS A 43 -0.047 25.137 -1.909 1.00 0.00 C ATOM 710 O LYS A 43 -0.372 26.101 -2.605 1.00 0.00 O ATOM 711 CB LYS A 43 0.994 23.860 -3.784 1.00 0.00 C ATOM 712 CG LYS A 43 1.946 24.713 -4.625 1.00 0.00 C ATOM 713 CD LYS A 43 1.795 24.342 -6.101 1.00 0.00 C ATOM 714 CE LYS A 43 2.980 24.899 -6.891 1.00 0.00 C ATOM 715 NZ LYS A 43 4.172 24.029 -6.680 1.00 0.00 N ATOM 0 H LYS A 43 0.786 22.210 -1.929 1.00 0.00 H new ATOM 0 HA LYS A 43 2.051 24.801 -2.157 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.225 22.803 -3.915 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.033 24.006 -4.119 1.00 0.00 H new ATOM 0 HG2 LYS A 43 1.727 25.771 -4.481 1.00 0.00 H new ATOM 0 HG3 LYS A 43 2.975 24.554 -4.303 1.00 0.00 H new ATOM 0 HD2 LYS A 43 1.748 23.259 -6.212 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.861 24.744 -6.494 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.734 24.945 -7.952 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.198 25.917 -6.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 5.016 24.622 -6.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 4.027 23.441 -5.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 4.305 23.416 -7.509 1.00 0.00 H new ATOM 729 N ARG A 44 -0.679 24.812 -0.786 1.00 0.00 N ATOM 730 CA ARG A 44 -1.814 25.594 -0.308 1.00 0.00 C ATOM 731 C ARG A 44 -1.884 25.564 1.215 1.00 0.00 C ATOM 732 O ARG A 44 -2.140 24.519 1.814 1.00 0.00 O ATOM 733 CB ARG A 44 -3.117 25.042 -0.893 1.00 0.00 C ATOM 734 CG ARG A 44 -2.795 24.007 -1.973 1.00 0.00 C ATOM 735 CD ARG A 44 -4.098 23.427 -2.528 1.00 0.00 C ATOM 736 NE ARG A 44 -4.663 24.326 -3.527 1.00 0.00 N ATOM 737 CZ ARG A 44 -5.793 24.027 -4.161 1.00 0.00 C ATOM 738 NH1 ARG A 44 -6.419 22.914 -3.890 1.00 0.00 N ATOM 739 NH2 ARG A 44 -6.276 24.845 -5.054 1.00 0.00 N ATOM 0 H ARG A 44 -0.428 24.020 -0.194 1.00 0.00 H new ATOM 0 HA ARG A 44 -1.680 26.626 -0.633 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -3.717 24.586 -0.105 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -3.710 25.853 -1.317 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.220 24.469 -2.775 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.178 23.211 -1.556 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -3.910 22.450 -2.972 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -4.812 23.277 -1.718 1.00 0.00 H new ATOM 0 HE ARG A 44 -4.183 25.200 -3.743 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -6.041 22.273 -3.192 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -7.286 22.685 -4.376 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -5.787 25.715 -5.267 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -7.143 24.615 -5.540 1.00 0.00 H new ATOM 753 N GLN A 45 -1.657 26.716 1.837 1.00 0.00 N ATOM 754 CA GLN A 45 -1.700 26.808 3.292 1.00 0.00 C ATOM 755 C GLN A 45 -3.128 26.619 3.795 1.00 0.00 C ATOM 756 O GLN A 45 -4.092 26.865 3.070 1.00 0.00 O ATOM 757 CB GLN A 45 -1.167 28.169 3.753 1.00 0.00 C ATOM 758 CG GLN A 45 -0.801 29.021 2.537 1.00 0.00 C ATOM 759 CD GLN A 45 0.385 28.404 1.802 1.00 0.00 C ATOM 760 OE1 GLN A 45 0.181 27.711 0.715 1.00 0.00 O flip ATOM 761 NE2 GLN A 45 1.529 28.557 2.231 1.00 0.00 N flip ATOM 0 H GLN A 45 -1.443 27.592 1.361 1.00 0.00 H new ATOM 0 HA GLN A 45 -1.071 26.019 3.705 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -1.920 28.680 4.353 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -0.292 28.031 4.388 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -1.656 29.096 1.865 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -0.555 30.034 2.854 1.00 0.00 H new ATOM 0 HE21 GLN A 45 1.687 29.099 3.081 1.00 0.00 H new ATOM 0 HE22 GLN A 45 2.319 28.142 1.737 1.00 0.00 H new ATOM 770 N PRO A 46 -3.275 26.188 5.019 1.00 0.00 N ATOM 771 CA PRO A 46 -4.610 25.957 5.640 1.00 0.00 C ATOM 772 C PRO A 46 -5.323 27.265 5.975 1.00 0.00 C ATOM 773 O PRO A 46 -5.396 27.663 7.138 1.00 0.00 O ATOM 774 CB PRO A 46 -4.287 25.170 6.912 1.00 0.00 C ATOM 775 CG PRO A 46 -2.883 25.540 7.260 1.00 0.00 C ATOM 776 CD PRO A 46 -2.176 25.873 5.945 1.00 0.00 C ATOM 0 HA PRO A 46 -5.288 25.430 4.968 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -4.973 25.428 7.719 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -4.381 24.097 6.745 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -2.865 26.395 7.936 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -2.382 24.718 7.771 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -1.497 26.718 6.060 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -1.582 25.032 5.587 1.00 0.00 H new ATOM 784 N ASP A 47 -5.842 27.930 4.947 1.00 0.00 N ATOM 785 CA ASP A 47 -6.541 29.189 5.137 1.00 0.00 C ATOM 786 C ASP A 47 -7.844 28.977 5.891 1.00 0.00 C ATOM 787 O ASP A 47 -8.861 29.603 5.596 1.00 0.00 O ATOM 788 CB ASP A 47 -6.820 29.852 3.787 1.00 0.00 C ATOM 789 CG ASP A 47 -5.663 30.770 3.408 1.00 0.00 C ATOM 790 OD1 ASP A 47 -5.393 31.693 4.159 1.00 0.00 O ATOM 791 OD2 ASP A 47 -5.062 30.536 2.372 1.00 0.00 O ATOM 0 H ASP A 47 -5.790 27.616 3.978 1.00 0.00 H new ATOM 0 HA ASP A 47 -5.902 29.844 5.729 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -6.957 29.090 3.020 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -7.747 30.423 3.838 1.00 0.00 H new ATOM 796 N GLY A 48 -7.793 28.086 6.865 1.00 0.00 N ATOM 797 CA GLY A 48 -8.967 27.777 7.675 1.00 0.00 C ATOM 798 C GLY A 48 -9.512 29.033 8.348 1.00 0.00 C ATOM 799 O GLY A 48 -9.053 30.144 8.079 1.00 0.00 O ATOM 0 H GLY A 48 -6.955 27.562 7.117 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -9.739 27.332 7.048 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -8.706 27.038 8.433 1.00 0.00 H new ATOM 803 N PRO A 49 -10.477 28.873 9.212 1.00 0.00 N ATOM 804 CA PRO A 49 -11.103 30.012 9.944 1.00 0.00 C ATOM 805 C PRO A 49 -10.061 30.923 10.587 1.00 0.00 C ATOM 806 O PRO A 49 -9.413 30.547 11.564 1.00 0.00 O ATOM 807 CB PRO A 49 -11.968 29.334 11.009 1.00 0.00 C ATOM 808 CG PRO A 49 -12.255 27.968 10.479 1.00 0.00 C ATOM 809 CD PRO A 49 -11.076 27.583 9.586 1.00 0.00 C ATOM 0 HA PRO A 49 -11.674 30.660 9.278 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -11.446 29.283 11.964 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -12.890 29.891 11.179 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -12.372 27.254 11.294 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -13.187 27.961 9.913 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -10.364 26.951 10.116 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -11.405 27.026 8.709 1.00 0.00 H new ATOM 817 N LEU A 50 -9.904 32.120 10.032 1.00 0.00 N ATOM 818 CA LEU A 50 -8.937 33.076 10.560 1.00 0.00 C ATOM 819 C LEU A 50 -7.530 32.488 10.528 1.00 0.00 C ATOM 820 O LEU A 50 -7.338 31.296 10.769 1.00 0.00 O ATOM 821 CB LEU A 50 -9.303 33.450 11.998 1.00 0.00 C ATOM 822 CG LEU A 50 -10.479 34.427 11.988 1.00 0.00 C ATOM 823 CD1 LEU A 50 -11.640 33.821 11.198 1.00 0.00 C ATOM 824 CD2 LEU A 50 -10.926 34.698 13.426 1.00 0.00 C ATOM 0 H LEU A 50 -10.430 32.450 9.223 1.00 0.00 H new ATOM 0 HA LEU A 50 -8.960 33.969 9.936 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -9.565 32.555 12.562 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -8.446 33.902 12.497 1.00 0.00 H new ATOM 0 HG LEU A 50 -10.172 35.362 11.520 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -12.478 34.518 11.191 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -11.321 33.627 10.174 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -11.949 32.886 11.665 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -11.764 35.394 13.421 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -11.234 33.763 13.894 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -10.099 35.130 13.989 1.00 0.00 H new ATOM 836 N GLU A 51 -6.549 33.332 10.228 1.00 0.00 N ATOM 837 CA GLU A 51 -5.161 32.885 10.166 1.00 0.00 C ATOM 838 C GLU A 51 -4.481 33.060 11.519 1.00 0.00 C ATOM 839 O GLU A 51 -4.788 32.350 12.476 1.00 0.00 O ATOM 840 CB GLU A 51 -4.404 33.682 9.103 1.00 0.00 C ATOM 841 CG GLU A 51 -4.691 35.174 9.282 1.00 0.00 C ATOM 842 CD GLU A 51 -5.701 35.638 8.238 1.00 0.00 C ATOM 843 OE1 GLU A 51 -6.618 34.886 7.954 1.00 0.00 O ATOM 844 OE2 GLU A 51 -5.542 36.740 7.738 1.00 0.00 O ATOM 0 H GLU A 51 -6.686 34.322 10.025 1.00 0.00 H new ATOM 0 HA GLU A 51 -5.150 31.827 9.902 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -3.334 33.494 9.186 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -4.707 33.360 8.107 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -5.078 35.361 10.284 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -3.767 35.745 9.186 1.00 0.00 H new ATOM 851 N HIS A 52 -3.555 34.011 11.591 1.00 0.00 N ATOM 852 CA HIS A 52 -2.837 34.271 12.834 1.00 0.00 C ATOM 853 C HIS A 52 -2.540 32.963 13.562 1.00 0.00 C ATOM 854 O HIS A 52 -1.681 32.189 13.140 1.00 0.00 O ATOM 855 CB HIS A 52 -3.668 35.183 13.737 1.00 0.00 C ATOM 856 CG HIS A 52 -3.694 36.571 13.159 1.00 0.00 C ATOM 857 ND1 HIS A 52 -3.668 36.804 11.793 1.00 0.00 N ATOM 858 CD2 HIS A 52 -3.744 37.809 13.750 1.00 0.00 C ATOM 859 CE1 HIS A 52 -3.703 38.136 11.607 1.00 0.00 C ATOM 860 NE2 HIS A 52 -3.750 38.796 12.768 1.00 0.00 N ATOM 0 H HIS A 52 -3.286 34.610 10.810 1.00 0.00 H new ATOM 0 HA HIS A 52 -1.895 34.763 12.592 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -4.683 34.796 13.828 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -3.244 35.203 14.741 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -3.774 37.990 14.814 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -3.694 38.613 10.638 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -3.783 39.806 12.905 1.00 0.00 H new ATOM 869 N HIS A 53 -3.256 32.725 14.655 1.00 0.00 N ATOM 870 CA HIS A 53 -3.060 31.507 15.434 1.00 0.00 C ATOM 871 C HIS A 53 -1.576 31.165 15.532 1.00 0.00 C ATOM 872 O HIS A 53 -1.207 30.002 15.695 1.00 0.00 O ATOM 873 CB HIS A 53 -3.811 30.344 14.784 1.00 0.00 C ATOM 874 CG HIS A 53 -4.224 29.360 15.844 1.00 0.00 C ATOM 875 ND1 HIS A 53 -4.869 29.753 17.006 1.00 0.00 N ATOM 876 CD2 HIS A 53 -4.090 27.997 15.931 1.00 0.00 C ATOM 877 CE1 HIS A 53 -5.096 28.646 17.738 1.00 0.00 C ATOM 878 NE2 HIS A 53 -4.642 27.549 17.128 1.00 0.00 N ATOM 0 H HIS A 53 -3.972 33.353 15.020 1.00 0.00 H new ATOM 0 HA HIS A 53 -3.449 31.675 16.438 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -4.689 30.714 14.254 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -3.176 29.854 14.045 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -3.627 27.368 15.185 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -5.585 28.646 18.701 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -4.689 26.588 17.466 1.00 0.00 H new ATOM 887 N HIS A 54 -0.731 32.186 15.429 1.00 0.00 N ATOM 888 CA HIS A 54 0.711 31.982 15.507 1.00 0.00 C ATOM 889 C HIS A 54 1.330 32.926 16.534 1.00 0.00 C ATOM 890 O HIS A 54 0.632 33.476 17.385 1.00 0.00 O ATOM 891 CB HIS A 54 1.347 32.226 14.137 1.00 0.00 C ATOM 892 CG HIS A 54 0.929 31.136 13.188 1.00 0.00 C ATOM 893 ND1 HIS A 54 0.422 31.408 11.927 1.00 0.00 N ATOM 894 CD2 HIS A 54 0.938 29.768 13.301 1.00 0.00 C ATOM 895 CE1 HIS A 54 0.151 30.229 11.336 1.00 0.00 C ATOM 896 NE2 HIS A 54 0.446 29.198 12.131 1.00 0.00 N ATOM 0 H HIS A 54 -1.017 33.156 15.292 1.00 0.00 H new ATOM 0 HA HIS A 54 0.899 30.954 15.816 1.00 0.00 H new ATOM 0 HB2 HIS A 54 1.040 33.197 13.750 1.00 0.00 H new ATOM 0 HB3 HIS A 54 2.433 32.248 14.227 1.00 0.00 H new ATOM 0 HD2 HIS A 54 1.276 29.218 14.167 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -0.255 30.130 10.340 1.00 0.00 H new ATOM 0 HE2 HIS A 54 0.335 28.205 11.925 1.00 0.00 H new ATOM 905 N HIS A 55 2.643 33.107 16.446 1.00 0.00 N ATOM 906 CA HIS A 55 3.347 33.986 17.373 1.00 0.00 C ATOM 907 C HIS A 55 4.236 34.964 16.611 1.00 0.00 C ATOM 908 O HIS A 55 4.069 36.180 16.714 1.00 0.00 O ATOM 909 CB HIS A 55 4.201 33.157 18.334 1.00 0.00 C ATOM 910 CG HIS A 55 3.330 32.608 19.431 1.00 0.00 C ATOM 911 ND1 HIS A 55 1.966 32.422 19.270 1.00 0.00 N ATOM 912 CD2 HIS A 55 3.614 32.200 20.711 1.00 0.00 C ATOM 913 CE1 HIS A 55 1.484 31.922 20.422 1.00 0.00 C ATOM 914 NE2 HIS A 55 2.447 31.768 21.334 1.00 0.00 N ATOM 0 H HIS A 55 3.238 32.661 15.748 1.00 0.00 H new ATOM 0 HA HIS A 55 2.608 34.551 17.942 1.00 0.00 H new ATOM 0 HB2 HIS A 55 4.685 32.342 17.797 1.00 0.00 H new ATOM 0 HB3 HIS A 55 4.993 33.774 18.758 1.00 0.00 H new ATOM 0 HD2 HIS A 55 4.594 32.212 21.165 1.00 0.00 H new ATOM 0 HE1 HIS A 55 0.446 31.675 20.589 1.00 0.00 H new ATOM 0 HE2 HIS A 55 2.348 31.410 22.284 1.00 0.00 H new ATOM 923 N HIS A 56 5.181 34.425 15.846 1.00 0.00 N ATOM 924 CA HIS A 56 6.090 35.260 15.070 1.00 0.00 C ATOM 925 C HIS A 56 5.349 35.929 13.917 1.00 0.00 C ATOM 926 O HIS A 56 4.869 35.259 13.002 1.00 0.00 O ATOM 927 CB HIS A 56 7.237 34.410 14.518 1.00 0.00 C ATOM 928 CG HIS A 56 6.875 32.954 14.619 1.00 0.00 C ATOM 929 ND1 HIS A 56 6.000 32.346 13.734 1.00 0.00 N ATOM 930 CD2 HIS A 56 7.263 31.972 15.497 1.00 0.00 C ATOM 931 CE1 HIS A 56 5.890 31.055 14.093 1.00 0.00 C ATOM 932 NE2 HIS A 56 6.640 30.774 15.163 1.00 0.00 N ATOM 0 H HIS A 56 5.336 33.422 15.748 1.00 0.00 H new ATOM 0 HA HIS A 56 6.493 36.032 15.725 1.00 0.00 H new ATOM 0 HB2 HIS A 56 7.434 34.676 13.479 1.00 0.00 H new ATOM 0 HB3 HIS A 56 8.152 34.608 15.076 1.00 0.00 H new ATOM 0 HD2 HIS A 56 7.947 32.109 16.321 1.00 0.00 H new ATOM 0 HE1 HIS A 56 5.272 30.334 13.580 1.00 0.00 H new ATOM 0 HE2 HIS A 56 6.735 29.874 15.634 1.00 0.00 H new ATOM 941 N HIS A 57 5.260 37.255 13.966 1.00 0.00 N ATOM 942 CA HIS A 57 4.574 38.004 12.919 1.00 0.00 C ATOM 943 C HIS A 57 3.417 37.189 12.347 1.00 0.00 C ATOM 944 O HIS A 57 2.473 37.746 11.787 1.00 0.00 O ATOM 945 CB HIS A 57 5.557 38.354 11.799 1.00 0.00 C ATOM 946 CG HIS A 57 5.848 37.124 10.983 1.00 0.00 C ATOM 947 ND1 HIS A 57 4.856 36.434 10.305 1.00 0.00 N ATOM 948 CD2 HIS A 57 7.016 36.450 10.727 1.00 0.00 C ATOM 949 CE1 HIS A 57 5.440 35.396 9.679 1.00 0.00 C ATOM 950 NE2 HIS A 57 6.757 35.360 9.903 1.00 0.00 N ATOM 0 H HIS A 57 5.651 37.829 14.713 1.00 0.00 H new ATOM 0 HA HIS A 57 4.177 38.921 13.354 1.00 0.00 H new ATOM 0 HB2 HIS A 57 5.138 39.134 11.163 1.00 0.00 H new ATOM 0 HB3 HIS A 57 6.480 38.750 12.222 1.00 0.00 H new ATOM 0 HD2 HIS A 57 7.989 36.725 11.108 1.00 0.00 H new ATOM 0 HE1 HIS A 57 4.909 34.679 9.070 1.00 0.00 H new ATOM 0 HE2 HIS A 57 7.428 34.679 9.546 1.00 0.00 H new TER 959 HIS A 57