USER MOD reduce.3.24.130724 H: found=0, std=0, add=483, rem=0, adj=14 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 Set 1.1: A 38 TYR OH : rot 87:sc= 0.0421 USER MOD Set 1.2: A 52 HIS : no HD1:sc= -0.373! C(o=-0.33!,f=-5.6!) USER MOD Single : A 1 MET CE :methyl -177:sc= 0 (180deg=-0.0179) USER MOD Single : A 1 MET N :NH3+ -164:sc= -0.671 (180deg=-1.11) USER MOD Single : A 2 THR OG1 : rot -32:sc= 0.44 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 62:sc= 1.13 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.167) USER MOD Single : A 31 SER OG : rot 172:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 HIS : no HD1:sc= -2.96! C(o=-3!,f=-3.5!) USER MOD Single : A 54 HIS : no HE2:sc= -0.882 K(o=-0.88,f=-4.2!) USER MOD Single : A 55 HIS :FLIP no HD1:sc= -0.185 F(o=-0.88,f=-0.19) USER MOD Single : A 56 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 57 HIS : no HD1:sc= -2.39! C(o=-2.4!,f=-5.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 21.236 -22.670 -11.198 1.00 0.00 N ATOM 2 CA MET A 1 20.374 -23.015 -10.074 1.00 0.00 C ATOM 3 C MET A 1 19.953 -24.479 -10.150 1.00 0.00 C ATOM 4 O MET A 1 19.007 -24.827 -10.856 1.00 0.00 O ATOM 5 CB MET A 1 19.131 -22.124 -10.078 1.00 0.00 C ATOM 6 CG MET A 1 19.552 -20.660 -9.937 1.00 0.00 C ATOM 7 SD MET A 1 18.690 -19.661 -11.176 1.00 0.00 S ATOM 8 CE MET A 1 19.975 -19.724 -12.448 1.00 0.00 C ATOM 0 H1 MET A 1 21.727 -21.775 -10.997 1.00 0.00 H new ATOM 0 H2 MET A 1 21.937 -23.425 -11.342 1.00 0.00 H new ATOM 0 H3 MET A 1 20.660 -22.564 -12.057 1.00 0.00 H new ATOM 0 HA MET A 1 20.932 -22.857 -9.151 1.00 0.00 H new ATOM 0 HB2 MET A 1 18.572 -22.265 -11.003 1.00 0.00 H new ATOM 0 HB3 MET A 1 18.468 -22.403 -9.259 1.00 0.00 H new ATOM 0 HG2 MET A 1 19.318 -20.298 -8.936 1.00 0.00 H new ATOM 0 HG3 MET A 1 20.630 -20.567 -10.066 1.00 0.00 H new ATOM 0 HE1 MET A 1 19.672 -19.117 -13.301 1.00 0.00 H new ATOM 0 HE2 MET A 1 20.909 -19.338 -12.041 1.00 0.00 H new ATOM 0 HE3 MET A 1 20.119 -20.756 -12.769 1.00 0.00 H new ATOM 18 N THR A 2 20.663 -25.332 -9.418 1.00 0.00 N ATOM 19 CA THR A 2 20.354 -26.756 -9.412 1.00 0.00 C ATOM 20 C THR A 2 19.624 -27.137 -8.127 1.00 0.00 C ATOM 21 O THR A 2 19.279 -28.301 -7.920 1.00 0.00 O ATOM 22 CB THR A 2 21.643 -27.572 -9.532 1.00 0.00 C ATOM 23 OG1 THR A 2 21.319 -28.936 -9.762 1.00 0.00 O ATOM 24 CG2 THR A 2 22.451 -27.446 -8.240 1.00 0.00 C ATOM 0 H THR A 2 21.450 -25.064 -8.826 1.00 0.00 H new ATOM 0 HA THR A 2 19.709 -26.974 -10.263 1.00 0.00 H new ATOM 0 HB THR A 2 22.236 -27.195 -10.365 1.00 0.00 H new ATOM 0 HG1 THR A 2 20.473 -29.151 -9.316 1.00 0.00 H new ATOM 0 HG21 THR A 2 23.369 -28.028 -8.327 1.00 0.00 H new ATOM 0 HG22 THR A 2 22.700 -26.399 -8.067 1.00 0.00 H new ATOM 0 HG23 THR A 2 21.861 -27.822 -7.404 1.00 0.00 H new ATOM 32 N TYR A 3 19.394 -26.149 -7.270 1.00 0.00 N ATOM 33 CA TYR A 3 18.704 -26.388 -6.008 1.00 0.00 C ATOM 34 C TYR A 3 17.261 -25.900 -6.088 1.00 0.00 C ATOM 35 O TYR A 3 16.324 -26.654 -5.823 1.00 0.00 O ATOM 36 CB TYR A 3 19.429 -25.663 -4.872 1.00 0.00 C ATOM 37 CG TYR A 3 20.911 -25.932 -4.963 1.00 0.00 C ATOM 38 CD1 TYR A 3 21.733 -25.086 -5.720 1.00 0.00 C ATOM 39 CD2 TYR A 3 21.467 -27.028 -4.291 1.00 0.00 C ATOM 40 CE1 TYR A 3 23.108 -25.336 -5.803 1.00 0.00 C ATOM 41 CE2 TYR A 3 22.841 -27.277 -4.375 1.00 0.00 C ATOM 42 CZ TYR A 3 23.663 -26.432 -5.130 1.00 0.00 C ATOM 43 OH TYR A 3 25.018 -26.678 -5.212 1.00 0.00 O ATOM 0 H TYR A 3 19.673 -25.180 -7.424 1.00 0.00 H new ATOM 0 HA TYR A 3 18.703 -27.460 -5.811 1.00 0.00 H new ATOM 0 HB2 TYR A 3 19.240 -24.591 -4.932 1.00 0.00 H new ATOM 0 HB3 TYR A 3 19.046 -26.001 -3.909 1.00 0.00 H new ATOM 0 HD1 TYR A 3 21.306 -24.241 -6.239 1.00 0.00 H new ATOM 0 HD2 TYR A 3 20.835 -27.681 -3.708 1.00 0.00 H new ATOM 0 HE1 TYR A 3 23.741 -24.684 -6.386 1.00 0.00 H new ATOM 0 HE2 TYR A 3 23.268 -28.123 -3.857 1.00 0.00 H new ATOM 0 HH TYR A 3 25.238 -27.475 -4.686 1.00 0.00 H new ATOM 53 N PHE A 4 17.091 -24.635 -6.453 1.00 0.00 N ATOM 54 CA PHE A 4 15.759 -24.051 -6.566 1.00 0.00 C ATOM 55 C PHE A 4 14.823 -24.982 -7.331 1.00 0.00 C ATOM 56 O PHE A 4 13.617 -25.003 -7.083 1.00 0.00 O ATOM 57 CB PHE A 4 15.843 -22.704 -7.290 1.00 0.00 C ATOM 58 CG PHE A 4 14.672 -21.839 -6.886 1.00 0.00 C ATOM 59 CD1 PHE A 4 14.582 -21.350 -5.577 1.00 0.00 C ATOM 60 CD2 PHE A 4 13.679 -21.525 -7.821 1.00 0.00 C ATOM 61 CE1 PHE A 4 13.497 -20.547 -5.204 1.00 0.00 C ATOM 62 CE2 PHE A 4 12.595 -20.722 -7.448 1.00 0.00 C ATOM 63 CZ PHE A 4 12.504 -20.233 -6.140 1.00 0.00 C ATOM 0 H PHE A 4 17.854 -23.996 -6.675 1.00 0.00 H new ATOM 0 HA PHE A 4 15.362 -23.904 -5.562 1.00 0.00 H new ATOM 0 HB2 PHE A 4 16.780 -22.204 -7.043 1.00 0.00 H new ATOM 0 HB3 PHE A 4 15.839 -22.859 -8.369 1.00 0.00 H new ATOM 0 HD1 PHE A 4 15.349 -21.592 -4.856 1.00 0.00 H new ATOM 0 HD2 PHE A 4 13.749 -21.902 -8.830 1.00 0.00 H new ATOM 0 HE1 PHE A 4 13.426 -20.170 -4.194 1.00 0.00 H new ATOM 0 HE2 PHE A 4 11.829 -20.480 -8.170 1.00 0.00 H new ATOM 0 HZ PHE A 4 11.668 -19.613 -5.852 1.00 0.00 H new ATOM 73 N TYR A 5 15.383 -25.747 -8.261 1.00 0.00 N ATOM 74 CA TYR A 5 14.584 -26.672 -9.057 1.00 0.00 C ATOM 75 C TYR A 5 14.250 -27.926 -8.256 1.00 0.00 C ATOM 76 O TYR A 5 13.113 -28.396 -8.270 1.00 0.00 O ATOM 77 CB TYR A 5 15.346 -27.063 -10.327 1.00 0.00 C ATOM 78 CG TYR A 5 14.420 -26.976 -11.517 1.00 0.00 C ATOM 79 CD1 TYR A 5 13.875 -25.742 -11.891 1.00 0.00 C ATOM 80 CD2 TYR A 5 14.108 -28.130 -12.247 1.00 0.00 C ATOM 81 CE1 TYR A 5 13.016 -25.661 -12.993 1.00 0.00 C ATOM 82 CE2 TYR A 5 13.249 -28.049 -13.350 1.00 0.00 C ATOM 83 CZ TYR A 5 12.704 -26.815 -13.723 1.00 0.00 C ATOM 84 OH TYR A 5 11.857 -26.736 -14.810 1.00 0.00 O ATOM 0 H TYR A 5 16.379 -25.746 -8.482 1.00 0.00 H new ATOM 0 HA TYR A 5 13.654 -26.173 -9.329 1.00 0.00 H new ATOM 0 HB2 TYR A 5 16.201 -26.402 -10.469 1.00 0.00 H new ATOM 0 HB3 TYR A 5 15.738 -28.075 -10.231 1.00 0.00 H new ATOM 0 HD1 TYR A 5 14.117 -24.852 -11.329 1.00 0.00 H new ATOM 0 HD2 TYR A 5 14.530 -29.082 -11.959 1.00 0.00 H new ATOM 0 HE1 TYR A 5 12.594 -24.709 -13.280 1.00 0.00 H new ATOM 0 HE2 TYR A 5 13.007 -28.939 -13.913 1.00 0.00 H new ATOM 0 HH TYR A 5 11.747 -27.626 -15.204 1.00 0.00 H new ATOM 94 N VAL A 6 15.246 -28.463 -7.558 1.00 0.00 N ATOM 95 CA VAL A 6 15.039 -29.664 -6.757 1.00 0.00 C ATOM 96 C VAL A 6 14.251 -29.336 -5.493 1.00 0.00 C ATOM 97 O VAL A 6 13.790 -30.232 -4.787 1.00 0.00 O ATOM 98 CB VAL A 6 16.386 -30.280 -6.376 1.00 0.00 C ATOM 99 CG1 VAL A 6 16.157 -31.649 -5.733 1.00 0.00 C ATOM 100 CG2 VAL A 6 17.242 -30.447 -7.633 1.00 0.00 C ATOM 0 H VAL A 6 16.195 -28.090 -7.531 1.00 0.00 H new ATOM 0 HA VAL A 6 14.470 -30.379 -7.351 1.00 0.00 H new ATOM 0 HB VAL A 6 16.898 -29.627 -5.669 1.00 0.00 H new ATOM 0 HG11 VAL A 6 17.117 -32.088 -5.461 1.00 0.00 H new ATOM 0 HG12 VAL A 6 15.545 -31.533 -4.839 1.00 0.00 H new ATOM 0 HG13 VAL A 6 15.646 -32.302 -6.440 1.00 0.00 H new ATOM 0 HG21 VAL A 6 18.203 -30.886 -7.363 1.00 0.00 H new ATOM 0 HG22 VAL A 6 16.729 -31.101 -8.338 1.00 0.00 H new ATOM 0 HG23 VAL A 6 17.405 -29.473 -8.094 1.00 0.00 H new ATOM 110 N THR A 7 14.101 -28.045 -5.213 1.00 0.00 N ATOM 111 CA THR A 7 13.365 -27.611 -4.030 1.00 0.00 C ATOM 112 C THR A 7 11.899 -27.373 -4.372 1.00 0.00 C ATOM 113 O THR A 7 11.004 -27.774 -3.627 1.00 0.00 O ATOM 114 CB THR A 7 13.978 -26.323 -3.475 1.00 0.00 C ATOM 115 OG1 THR A 7 15.378 -26.498 -3.312 1.00 0.00 O ATOM 116 CG2 THR A 7 13.341 -25.994 -2.124 1.00 0.00 C ATOM 0 H THR A 7 14.476 -27.287 -5.783 1.00 0.00 H new ATOM 0 HA THR A 7 13.429 -28.396 -3.276 1.00 0.00 H new ATOM 0 HB THR A 7 13.794 -25.504 -4.170 1.00 0.00 H new ATOM 0 HG1 THR A 7 15.789 -26.678 -4.183 1.00 0.00 H new ATOM 0 HG21 THR A 7 13.778 -25.077 -1.729 1.00 0.00 H new ATOM 0 HG22 THR A 7 12.267 -25.859 -2.251 1.00 0.00 H new ATOM 0 HG23 THR A 7 13.523 -26.812 -1.427 1.00 0.00 H new ATOM 124 N ASP A 8 11.659 -26.719 -5.504 1.00 0.00 N ATOM 125 CA ASP A 8 10.297 -26.433 -5.936 1.00 0.00 C ATOM 126 C ASP A 8 9.451 -27.697 -5.910 1.00 0.00 C ATOM 127 O ASP A 8 8.223 -27.639 -5.843 1.00 0.00 O ATOM 128 CB ASP A 8 10.305 -25.846 -7.349 1.00 0.00 C ATOM 129 CG ASP A 8 10.403 -24.326 -7.281 1.00 0.00 C ATOM 130 OD1 ASP A 8 11.499 -23.831 -7.072 1.00 0.00 O ATOM 131 OD2 ASP A 8 9.381 -23.679 -7.438 1.00 0.00 O ATOM 0 H ASP A 8 12.385 -26.379 -6.135 1.00 0.00 H new ATOM 0 HA ASP A 8 9.864 -25.707 -5.248 1.00 0.00 H new ATOM 0 HB2 ASP A 8 11.146 -26.248 -7.914 1.00 0.00 H new ATOM 0 HB3 ASP A 8 9.397 -26.137 -7.878 1.00 0.00 H new ATOM 136 N TYR A 9 10.121 -28.835 -5.960 1.00 0.00 N ATOM 137 CA TYR A 9 9.434 -30.121 -5.939 1.00 0.00 C ATOM 138 C TYR A 9 8.714 -30.315 -4.610 1.00 0.00 C ATOM 139 O TYR A 9 7.732 -31.051 -4.525 1.00 0.00 O ATOM 140 CB TYR A 9 10.437 -31.256 -6.146 1.00 0.00 C ATOM 141 CG TYR A 9 9.703 -32.493 -6.601 1.00 0.00 C ATOM 142 CD1 TYR A 9 9.223 -32.577 -7.913 1.00 0.00 C ATOM 143 CD2 TYR A 9 9.499 -33.555 -5.710 1.00 0.00 C ATOM 144 CE1 TYR A 9 8.539 -33.723 -8.336 1.00 0.00 C ATOM 145 CE2 TYR A 9 8.815 -34.700 -6.133 1.00 0.00 C ATOM 146 CZ TYR A 9 8.336 -34.785 -7.446 1.00 0.00 C ATOM 147 OH TYR A 9 7.661 -35.914 -7.863 1.00 0.00 O ATOM 0 H TYR A 9 11.138 -28.898 -6.015 1.00 0.00 H new ATOM 0 HA TYR A 9 8.702 -30.135 -6.747 1.00 0.00 H new ATOM 0 HB2 TYR A 9 11.182 -30.968 -6.888 1.00 0.00 H new ATOM 0 HB3 TYR A 9 10.972 -31.457 -5.218 1.00 0.00 H new ATOM 0 HD1 TYR A 9 9.380 -31.758 -8.599 1.00 0.00 H new ATOM 0 HD2 TYR A 9 9.869 -33.490 -4.698 1.00 0.00 H new ATOM 0 HE1 TYR A 9 8.168 -33.788 -9.348 1.00 0.00 H new ATOM 0 HE2 TYR A 9 8.656 -35.519 -5.447 1.00 0.00 H new ATOM 0 HH TYR A 9 7.608 -36.555 -7.124 1.00 0.00 H new ATOM 157 N LEU A 10 9.212 -29.646 -3.575 1.00 0.00 N ATOM 158 CA LEU A 10 8.612 -29.747 -2.251 1.00 0.00 C ATOM 159 C LEU A 10 8.439 -28.362 -1.639 1.00 0.00 C ATOM 160 O LEU A 10 8.281 -28.223 -0.426 1.00 0.00 O ATOM 161 CB LEU A 10 9.496 -30.602 -1.342 1.00 0.00 C ATOM 162 CG LEU A 10 8.658 -31.153 -0.186 1.00 0.00 C ATOM 163 CD1 LEU A 10 8.026 -32.481 -0.604 1.00 0.00 C ATOM 164 CD2 LEU A 10 9.557 -31.376 1.031 1.00 0.00 C ATOM 0 H LEU A 10 10.025 -29.032 -3.627 1.00 0.00 H new ATOM 0 HA LEU A 10 7.633 -30.215 -2.349 1.00 0.00 H new ATOM 0 HB2 LEU A 10 9.935 -31.422 -1.910 1.00 0.00 H new ATOM 0 HB3 LEU A 10 10.322 -30.005 -0.954 1.00 0.00 H new ATOM 0 HG LEU A 10 7.872 -30.441 0.067 1.00 0.00 H new ATOM 0 HD11 LEU A 10 7.429 -32.875 0.219 1.00 0.00 H new ATOM 0 HD12 LEU A 10 7.387 -32.322 -1.473 1.00 0.00 H new ATOM 0 HD13 LEU A 10 8.811 -33.194 -0.856 1.00 0.00 H new ATOM 0 HD21 LEU A 10 8.962 -31.768 1.856 1.00 0.00 H new ATOM 0 HD22 LEU A 10 10.342 -32.089 0.778 1.00 0.00 H new ATOM 0 HD23 LEU A 10 10.009 -30.430 1.328 1.00 0.00 H new ATOM 176 N ASP A 11 8.468 -27.341 -2.488 1.00 0.00 N ATOM 177 CA ASP A 11 8.312 -25.969 -2.028 1.00 0.00 C ATOM 178 C ASP A 11 7.366 -25.211 -2.948 1.00 0.00 C ATOM 179 O ASP A 11 7.552 -25.186 -4.165 1.00 0.00 O ATOM 180 CB ASP A 11 9.670 -25.266 -1.999 1.00 0.00 C ATOM 181 CG ASP A 11 9.597 -24.028 -1.110 1.00 0.00 C ATOM 182 OD1 ASP A 11 8.578 -23.357 -1.145 1.00 0.00 O ATOM 183 OD2 ASP A 11 10.562 -23.770 -0.408 1.00 0.00 O ATOM 0 H ASP A 11 8.598 -27.438 -3.495 1.00 0.00 H new ATOM 0 HA ASP A 11 7.895 -25.986 -1.021 1.00 0.00 H new ATOM 0 HB2 ASP A 11 10.434 -25.948 -1.625 1.00 0.00 H new ATOM 0 HB3 ASP A 11 9.963 -24.982 -3.010 1.00 0.00 H new ATOM 188 N VAL A 12 6.352 -24.594 -2.359 1.00 0.00 N ATOM 189 CA VAL A 12 5.378 -23.834 -3.132 1.00 0.00 C ATOM 190 C VAL A 12 6.088 -22.904 -4.114 1.00 0.00 C ATOM 191 O VAL A 12 7.158 -22.373 -3.817 1.00 0.00 O ATOM 192 CB VAL A 12 4.495 -23.011 -2.193 1.00 0.00 C ATOM 193 CG1 VAL A 12 3.431 -23.916 -1.569 1.00 0.00 C ATOM 194 CG2 VAL A 12 5.357 -22.403 -1.085 1.00 0.00 C ATOM 0 H VAL A 12 6.182 -24.604 -1.353 1.00 0.00 H new ATOM 0 HA VAL A 12 4.757 -24.533 -3.692 1.00 0.00 H new ATOM 0 HB VAL A 12 4.010 -22.214 -2.757 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.802 -23.330 -0.900 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.816 -24.351 -2.357 1.00 0.00 H new ATOM 0 HG13 VAL A 12 3.916 -24.713 -1.005 1.00 0.00 H new ATOM 0 HG21 VAL A 12 4.728 -21.816 -0.415 1.00 0.00 H new ATOM 0 HG22 VAL A 12 5.841 -23.201 -0.522 1.00 0.00 H new ATOM 0 HG23 VAL A 12 6.116 -21.758 -1.527 1.00 0.00 H new ATOM 204 N PRO A 13 5.512 -22.699 -5.270 1.00 0.00 N ATOM 205 CA PRO A 13 6.101 -21.813 -6.315 1.00 0.00 C ATOM 206 C PRO A 13 6.033 -20.340 -5.922 1.00 0.00 C ATOM 207 O PRO A 13 5.239 -19.954 -5.063 1.00 0.00 O ATOM 208 CB PRO A 13 5.246 -22.087 -7.554 1.00 0.00 C ATOM 209 CG PRO A 13 3.943 -22.599 -7.037 1.00 0.00 C ATOM 210 CD PRO A 13 4.237 -23.290 -5.705 1.00 0.00 C ATOM 0 HA PRO A 13 7.160 -22.017 -6.473 1.00 0.00 H new ATOM 0 HB2 PRO A 13 5.105 -21.180 -8.142 1.00 0.00 H new ATOM 0 HB3 PRO A 13 5.724 -22.818 -8.206 1.00 0.00 H new ATOM 0 HG2 PRO A 13 3.234 -21.783 -6.901 1.00 0.00 H new ATOM 0 HG3 PRO A 13 3.494 -23.297 -7.744 1.00 0.00 H new ATOM 0 HD2 PRO A 13 3.445 -23.109 -4.978 1.00 0.00 H new ATOM 0 HD3 PRO A 13 4.318 -24.370 -5.825 1.00 0.00 H new ATOM 218 N SER A 14 6.870 -19.523 -6.553 1.00 0.00 N ATOM 219 CA SER A 14 6.894 -18.096 -6.257 1.00 0.00 C ATOM 220 C SER A 14 5.541 -17.464 -6.562 1.00 0.00 C ATOM 221 O SER A 14 5.260 -16.338 -6.146 1.00 0.00 O ATOM 222 CB SER A 14 7.981 -17.408 -7.082 1.00 0.00 C ATOM 223 OG SER A 14 8.570 -16.369 -6.311 1.00 0.00 O ATOM 0 H SER A 14 7.535 -19.821 -7.266 1.00 0.00 H new ATOM 0 HA SER A 14 7.111 -17.968 -5.197 1.00 0.00 H new ATOM 0 HB2 SER A 14 8.741 -18.131 -7.379 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.554 -16.999 -7.998 1.00 0.00 H new ATOM 0 HG SER A 14 9.269 -15.927 -6.837 1.00 0.00 H new ATOM 229 N ASN A 15 4.702 -18.197 -7.284 1.00 0.00 N ATOM 230 CA ASN A 15 3.382 -17.694 -7.626 1.00 0.00 C ATOM 231 C ASN A 15 2.629 -17.318 -6.357 1.00 0.00 C ATOM 232 O ASN A 15 1.771 -16.435 -6.369 1.00 0.00 O ATOM 233 CB ASN A 15 2.595 -18.757 -8.396 1.00 0.00 C ATOM 234 CG ASN A 15 2.691 -18.491 -9.894 1.00 0.00 C ATOM 235 OD1 ASN A 15 1.722 -18.045 -10.510 1.00 0.00 O ATOM 236 ND2 ASN A 15 3.808 -18.740 -10.522 1.00 0.00 N ATOM 0 H ASN A 15 4.910 -19.130 -7.639 1.00 0.00 H new ATOM 0 HA ASN A 15 3.494 -16.811 -8.255 1.00 0.00 H new ATOM 0 HB2 ASN A 15 2.987 -19.748 -8.168 1.00 0.00 H new ATOM 0 HB3 ASN A 15 1.551 -18.747 -8.082 1.00 0.00 H new ATOM 0 HD21 ASN A 15 3.879 -18.565 -11.524 1.00 0.00 H new ATOM 0 HD22 ASN A 15 4.609 -19.109 -10.010 1.00 0.00 H new ATOM 243 N ILE A 16 2.968 -17.985 -5.258 1.00 0.00 N ATOM 244 CA ILE A 16 2.326 -17.700 -3.983 1.00 0.00 C ATOM 245 C ILE A 16 2.888 -16.419 -3.399 1.00 0.00 C ATOM 246 O ILE A 16 2.261 -15.764 -2.572 1.00 0.00 O ATOM 247 CB ILE A 16 2.536 -18.860 -3.008 1.00 0.00 C ATOM 248 CG1 ILE A 16 2.072 -20.165 -3.662 1.00 0.00 C ATOM 249 CG2 ILE A 16 1.729 -18.611 -1.733 1.00 0.00 C ATOM 250 CD1 ILE A 16 0.606 -20.036 -4.080 1.00 0.00 C ATOM 0 H ILE A 16 3.676 -18.719 -5.226 1.00 0.00 H new ATOM 0 HA ILE A 16 1.256 -17.577 -4.148 1.00 0.00 H new ATOM 0 HB ILE A 16 3.594 -18.935 -2.756 1.00 0.00 H new ATOM 0 HG12 ILE A 16 2.690 -20.388 -4.531 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.190 -20.995 -2.965 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.880 -19.438 -1.040 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.061 -17.683 -1.268 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.670 -18.534 -1.982 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.277 -20.965 -4.545 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -0.006 -19.834 -3.201 1.00 0.00 H new ATOM 0 HD13 ILE A 16 0.501 -19.217 -4.792 1.00 0.00 H new ATOM 262 N ALA A 17 4.071 -16.079 -3.860 1.00 0.00 N ATOM 263 CA ALA A 17 4.750 -14.865 -3.419 1.00 0.00 C ATOM 264 C ALA A 17 4.142 -13.645 -4.098 1.00 0.00 C ATOM 265 O ALA A 17 4.223 -12.526 -3.591 1.00 0.00 O ATOM 266 CB ALA A 17 6.235 -14.947 -3.763 1.00 0.00 C ATOM 0 H ALA A 17 4.592 -16.626 -4.545 1.00 0.00 H new ATOM 0 HA ALA A 17 4.630 -14.771 -2.340 1.00 0.00 H new ATOM 0 HB1 ALA A 17 6.736 -14.038 -3.431 1.00 0.00 H new ATOM 0 HB2 ALA A 17 6.677 -15.808 -3.263 1.00 0.00 H new ATOM 0 HB3 ALA A 17 6.353 -15.054 -4.841 1.00 0.00 H new ATOM 272 N LYS A 18 3.530 -13.881 -5.252 1.00 0.00 N ATOM 273 CA LYS A 18 2.899 -12.814 -6.016 1.00 0.00 C ATOM 274 C LYS A 18 1.462 -12.661 -5.565 1.00 0.00 C ATOM 275 O LYS A 18 0.880 -11.579 -5.631 1.00 0.00 O ATOM 276 CB LYS A 18 2.942 -13.137 -7.512 1.00 0.00 C ATOM 277 CG LYS A 18 3.845 -12.133 -8.230 1.00 0.00 C ATOM 278 CD LYS A 18 5.302 -12.392 -7.845 1.00 0.00 C ATOM 279 CE LYS A 18 6.192 -11.301 -8.445 1.00 0.00 C ATOM 280 NZ LYS A 18 6.017 -10.039 -7.674 1.00 0.00 N ATOM 0 H LYS A 18 3.458 -14.804 -5.679 1.00 0.00 H new ATOM 0 HA LYS A 18 3.438 -11.882 -5.845 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.315 -14.150 -7.665 1.00 0.00 H new ATOM 0 HB3 LYS A 18 1.936 -13.101 -7.931 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.721 -12.223 -9.309 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.562 -11.115 -7.961 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.406 -12.404 -6.760 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.616 -13.371 -8.206 1.00 0.00 H new ATOM 0 HE2 LYS A 18 7.236 -11.613 -8.420 1.00 0.00 H new ATOM 0 HE3 LYS A 18 5.933 -11.140 -9.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 6.788 -9.381 -7.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 5.105 -9.605 -7.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 6.036 -10.249 -6.656 1.00 0.00 H new ATOM 294 N ILE A 19 0.910 -13.760 -5.083 1.00 0.00 N ATOM 295 CA ILE A 19 -0.454 -13.766 -4.588 1.00 0.00 C ATOM 296 C ILE A 19 -0.440 -13.393 -3.117 1.00 0.00 C ATOM 297 O ILE A 19 -1.453 -12.982 -2.550 1.00 0.00 O ATOM 298 CB ILE A 19 -1.072 -15.154 -4.765 1.00 0.00 C ATOM 299 CG1 ILE A 19 -1.699 -15.264 -6.158 1.00 0.00 C ATOM 300 CG2 ILE A 19 -2.154 -15.375 -3.705 1.00 0.00 C ATOM 301 CD1 ILE A 19 -0.741 -14.687 -7.202 1.00 0.00 C ATOM 0 H ILE A 19 1.386 -14.660 -5.024 1.00 0.00 H new ATOM 0 HA ILE A 19 -1.051 -13.047 -5.149 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.294 -15.909 -4.654 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.917 -16.307 -6.388 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.647 -14.727 -6.184 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.593 -16.365 -3.834 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.711 -15.301 -2.712 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.930 -14.617 -3.814 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.190 -14.767 -8.192 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.545 -13.639 -6.976 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.196 -15.244 -7.183 1.00 0.00 H new ATOM 313 N ILE A 20 0.730 -13.546 -2.507 1.00 0.00 N ATOM 314 CA ILE A 20 0.892 -13.228 -1.091 1.00 0.00 C ATOM 315 C ILE A 20 1.228 -11.751 -0.902 1.00 0.00 C ATOM 316 O ILE A 20 0.629 -11.072 -0.067 1.00 0.00 O ATOM 317 CB ILE A 20 2.003 -14.086 -0.483 1.00 0.00 C ATOM 318 CG1 ILE A 20 1.455 -15.482 -0.175 1.00 0.00 C ATOM 319 CG2 ILE A 20 2.499 -13.439 0.812 1.00 0.00 C ATOM 320 CD1 ILE A 20 0.718 -15.456 1.164 1.00 0.00 C ATOM 0 H ILE A 20 1.575 -13.886 -2.966 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.050 -13.441 -0.585 1.00 0.00 H new ATOM 0 HB ILE A 20 2.829 -14.164 -1.190 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.779 -15.802 -0.968 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.270 -16.205 -0.140 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.291 -14.051 1.245 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.887 -12.444 0.596 1.00 0.00 H new ATOM 0 HG23 ILE A 20 1.673 -13.361 1.519 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.328 -16.450 1.384 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.407 -15.154 1.953 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -0.107 -14.746 1.112 1.00 0.00 H new ATOM 332 N ILE A 21 2.193 -11.261 -1.673 1.00 0.00 N ATOM 333 CA ILE A 21 2.603 -9.864 -1.572 1.00 0.00 C ATOM 334 C ILE A 21 1.817 -8.988 -2.543 1.00 0.00 C ATOM 335 O ILE A 21 1.658 -7.788 -2.319 1.00 0.00 O ATOM 336 CB ILE A 21 4.098 -9.740 -1.868 1.00 0.00 C ATOM 337 CG1 ILE A 21 4.646 -8.478 -1.199 1.00 0.00 C ATOM 338 CG2 ILE A 21 4.312 -9.648 -3.380 1.00 0.00 C ATOM 339 CD1 ILE A 21 6.169 -8.452 -1.329 1.00 0.00 C ATOM 0 H ILE A 21 2.703 -11.805 -2.369 1.00 0.00 H new ATOM 0 HA ILE A 21 2.398 -9.523 -0.557 1.00 0.00 H new ATOM 0 HB ILE A 21 4.620 -10.614 -1.479 1.00 0.00 H new ATOM 0 HG12 ILE A 21 4.216 -7.591 -1.664 1.00 0.00 H new ATOM 0 HG13 ILE A 21 4.360 -8.457 -0.147 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.378 -9.560 -3.592 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.920 -10.546 -3.858 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.791 -8.773 -3.769 1.00 0.00 H new ATOM 0 HD11 ILE A 21 6.560 -7.553 -0.852 1.00 0.00 H new ATOM 0 HD12 ILE A 21 6.591 -9.332 -0.844 1.00 0.00 H new ATOM 0 HD13 ILE A 21 6.444 -8.452 -2.384 1.00 0.00 H new ATOM 351 N GLY A 22 1.328 -9.590 -3.622 1.00 0.00 N ATOM 352 CA GLY A 22 0.562 -8.847 -4.618 1.00 0.00 C ATOM 353 C GLY A 22 -0.554 -8.040 -3.961 1.00 0.00 C ATOM 354 O GLY A 22 -0.738 -6.857 -4.256 1.00 0.00 O ATOM 0 H GLY A 22 1.446 -10.582 -3.829 1.00 0.00 H new ATOM 0 HA2 GLY A 22 1.225 -8.178 -5.166 1.00 0.00 H new ATOM 0 HA3 GLY A 22 0.136 -9.539 -5.344 1.00 0.00 H new ATOM 358 N PRO A 23 -1.294 -8.657 -3.081 1.00 0.00 N ATOM 359 CA PRO A 23 -2.419 -7.986 -2.367 1.00 0.00 C ATOM 360 C PRO A 23 -1.969 -6.693 -1.698 1.00 0.00 C ATOM 361 O PRO A 23 -2.720 -5.718 -1.645 1.00 0.00 O ATOM 362 CB PRO A 23 -2.863 -9.017 -1.326 1.00 0.00 C ATOM 363 CG PRO A 23 -2.391 -10.337 -1.840 1.00 0.00 C ATOM 364 CD PRO A 23 -1.142 -10.061 -2.675 1.00 0.00 C ATOM 0 HA PRO A 23 -3.222 -7.696 -3.044 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -2.430 -8.799 -0.350 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -3.946 -9.009 -1.204 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -2.164 -11.014 -1.017 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -3.162 -10.816 -2.444 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -0.232 -10.213 -2.095 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -1.084 -10.723 -3.539 1.00 0.00 H new ATOM 372 N LEU A 24 -0.738 -6.685 -1.197 1.00 0.00 N ATOM 373 CA LEU A 24 -0.205 -5.496 -0.546 1.00 0.00 C ATOM 374 C LEU A 24 0.294 -4.510 -1.590 1.00 0.00 C ATOM 375 O LEU A 24 0.160 -3.297 -1.433 1.00 0.00 O ATOM 376 CB LEU A 24 0.936 -5.873 0.401 1.00 0.00 C ATOM 377 CG LEU A 24 1.384 -4.634 1.179 1.00 0.00 C ATOM 378 CD1 LEU A 24 0.800 -4.679 2.592 1.00 0.00 C ATOM 379 CD2 LEU A 24 2.912 -4.611 1.261 1.00 0.00 C ATOM 0 H LEU A 24 -0.098 -7.479 -1.229 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.002 -5.030 0.033 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.608 -6.650 1.091 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.773 -6.282 -0.165 1.00 0.00 H new ATOM 0 HG LEU A 24 1.032 -3.737 0.669 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.119 -3.796 3.146 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.288 -4.698 2.535 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.152 -5.575 3.103 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.233 -3.729 1.815 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.263 -5.508 1.772 1.00 0.00 H new ATOM 0 HD23 LEU A 24 3.330 -4.580 0.255 1.00 0.00 H new ATOM 391 N ILE A 25 0.854 -5.041 -2.666 1.00 0.00 N ATOM 392 CA ILE A 25 1.350 -4.203 -3.744 1.00 0.00 C ATOM 393 C ILE A 25 0.269 -3.214 -4.159 1.00 0.00 C ATOM 394 O ILE A 25 0.559 -2.090 -4.565 1.00 0.00 O ATOM 395 CB ILE A 25 1.763 -5.078 -4.937 1.00 0.00 C ATOM 396 CG1 ILE A 25 3.111 -4.596 -5.477 1.00 0.00 C ATOM 397 CG2 ILE A 25 0.713 -4.998 -6.049 1.00 0.00 C ATOM 398 CD1 ILE A 25 4.244 -5.264 -4.695 1.00 0.00 C ATOM 0 H ILE A 25 0.976 -6.043 -2.815 1.00 0.00 H new ATOM 0 HA ILE A 25 2.223 -3.648 -3.401 1.00 0.00 H new ATOM 0 HB ILE A 25 1.844 -6.112 -4.603 1.00 0.00 H new ATOM 0 HG12 ILE A 25 3.196 -4.835 -6.537 1.00 0.00 H new ATOM 0 HG13 ILE A 25 3.184 -3.512 -5.388 1.00 0.00 H new ATOM 0 HG21 ILE A 25 1.022 -5.624 -6.886 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -0.247 -5.348 -5.669 1.00 0.00 H new ATOM 0 HG23 ILE A 25 0.616 -3.965 -6.384 1.00 0.00 H new ATOM 0 HD11 ILE A 25 5.204 -4.920 -5.080 1.00 0.00 H new ATOM 0 HD12 ILE A 25 4.162 -5.002 -3.640 1.00 0.00 H new ATOM 0 HD13 ILE A 25 4.175 -6.346 -4.807 1.00 0.00 H new ATOM 410 N PHE A 26 -0.982 -3.654 -4.060 1.00 0.00 N ATOM 411 CA PHE A 26 -2.111 -2.810 -4.436 1.00 0.00 C ATOM 412 C PHE A 26 -2.142 -1.531 -3.601 1.00 0.00 C ATOM 413 O PHE A 26 -2.234 -0.429 -4.142 1.00 0.00 O ATOM 414 CB PHE A 26 -3.419 -3.581 -4.236 1.00 0.00 C ATOM 415 CG PHE A 26 -4.477 -3.033 -5.163 1.00 0.00 C ATOM 416 CD1 PHE A 26 -4.312 -3.131 -6.550 1.00 0.00 C ATOM 417 CD2 PHE A 26 -5.623 -2.429 -4.635 1.00 0.00 C ATOM 418 CE1 PHE A 26 -5.295 -2.625 -7.409 1.00 0.00 C ATOM 419 CE2 PHE A 26 -6.607 -1.922 -5.494 1.00 0.00 C ATOM 420 CZ PHE A 26 -6.442 -2.020 -6.880 1.00 0.00 C ATOM 0 H PHE A 26 -1.238 -4.583 -3.725 1.00 0.00 H new ATOM 0 HA PHE A 26 -1.998 -2.535 -5.485 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -3.262 -4.641 -4.434 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -3.749 -3.495 -3.201 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -3.427 -3.597 -6.957 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -5.749 -2.353 -3.565 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.169 -2.701 -8.479 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -7.492 -1.456 -5.087 1.00 0.00 H new ATOM 0 HZ PHE A 26 -7.200 -1.629 -7.543 1.00 0.00 H new ATOM 430 N VAL A 27 -2.061 -1.684 -2.283 1.00 0.00 N ATOM 431 CA VAL A 27 -2.080 -0.531 -1.389 1.00 0.00 C ATOM 432 C VAL A 27 -0.770 0.242 -1.479 1.00 0.00 C ATOM 433 O VAL A 27 -0.746 1.462 -1.317 1.00 0.00 O ATOM 434 CB VAL A 27 -2.313 -0.981 0.056 1.00 0.00 C ATOM 435 CG1 VAL A 27 -3.785 -1.349 0.246 1.00 0.00 C ATOM 436 CG2 VAL A 27 -1.443 -2.202 0.357 1.00 0.00 C ATOM 0 H VAL A 27 -1.982 -2.586 -1.813 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.896 0.122 -1.697 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.050 -0.169 0.734 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.950 -1.669 1.275 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -4.408 -0.480 0.032 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -4.048 -2.160 -0.433 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.609 -2.522 1.386 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.706 -3.013 -0.322 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.393 -1.943 0.223 1.00 0.00 H new ATOM 446 N PHE A 28 0.319 -0.476 -1.736 1.00 0.00 N ATOM 447 CA PHE A 28 1.630 0.154 -1.843 1.00 0.00 C ATOM 448 C PHE A 28 1.688 1.058 -3.069 1.00 0.00 C ATOM 449 O PHE A 28 2.254 2.149 -3.022 1.00 0.00 O ATOM 450 CB PHE A 28 2.720 -0.914 -1.939 1.00 0.00 C ATOM 451 CG PHE A 28 4.012 -0.364 -1.384 1.00 0.00 C ATOM 452 CD1 PHE A 28 4.150 -0.161 -0.005 1.00 0.00 C ATOM 453 CD2 PHE A 28 5.071 -0.057 -2.247 1.00 0.00 C ATOM 454 CE1 PHE A 28 5.347 0.350 0.510 1.00 0.00 C ATOM 455 CE2 PHE A 28 6.268 0.453 -1.731 1.00 0.00 C ATOM 456 CZ PHE A 28 6.406 0.658 -0.353 1.00 0.00 C ATOM 0 H PHE A 28 0.320 -1.487 -1.873 1.00 0.00 H new ATOM 0 HA PHE A 28 1.796 0.758 -0.951 1.00 0.00 H new ATOM 0 HB2 PHE A 28 2.423 -1.804 -1.384 1.00 0.00 H new ATOM 0 HB3 PHE A 28 2.857 -1.217 -2.977 1.00 0.00 H new ATOM 0 HD1 PHE A 28 3.333 -0.399 0.661 1.00 0.00 H new ATOM 0 HD2 PHE A 28 4.964 -0.214 -3.310 1.00 0.00 H new ATOM 0 HE1 PHE A 28 5.454 0.507 1.573 1.00 0.00 H new ATOM 0 HE2 PHE A 28 7.086 0.688 -2.396 1.00 0.00 H new ATOM 0 HZ PHE A 28 7.329 1.054 0.044 1.00 0.00 H new ATOM 466 N LEU A 29 1.092 0.598 -4.163 1.00 0.00 N ATOM 467 CA LEU A 29 1.078 1.378 -5.394 1.00 0.00 C ATOM 468 C LEU A 29 0.198 2.609 -5.221 1.00 0.00 C ATOM 469 O LEU A 29 0.494 3.680 -5.753 1.00 0.00 O ATOM 470 CB LEU A 29 0.548 0.525 -6.550 1.00 0.00 C ATOM 471 CG LEU A 29 1.489 0.647 -7.750 1.00 0.00 C ATOM 472 CD1 LEU A 29 1.051 -0.328 -8.844 1.00 0.00 C ATOM 473 CD2 LEU A 29 1.440 2.076 -8.292 1.00 0.00 C ATOM 0 H LEU A 29 0.616 -0.302 -4.223 1.00 0.00 H new ATOM 0 HA LEU A 29 2.096 1.694 -5.620 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.470 -0.517 -6.240 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.455 0.851 -6.826 1.00 0.00 H new ATOM 0 HG LEU A 29 2.506 0.410 -7.439 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.722 -0.241 -9.699 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.085 -1.347 -8.458 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.033 -0.092 -9.156 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.110 2.164 -9.147 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.422 2.313 -8.603 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.752 2.771 -7.513 1.00 0.00 H new ATOM 485 N PHE A 30 -0.885 2.449 -4.467 1.00 0.00 N ATOM 486 CA PHE A 30 -1.802 3.555 -4.223 1.00 0.00 C ATOM 487 C PHE A 30 -1.180 4.554 -3.253 1.00 0.00 C ATOM 488 O PHE A 30 -1.342 5.765 -3.404 1.00 0.00 O ATOM 489 CB PHE A 30 -3.119 3.027 -3.645 1.00 0.00 C ATOM 490 CG PHE A 30 -4.273 3.490 -4.504 1.00 0.00 C ATOM 491 CD1 PHE A 30 -4.507 2.885 -5.745 1.00 0.00 C ATOM 492 CD2 PHE A 30 -5.106 4.523 -4.061 1.00 0.00 C ATOM 493 CE1 PHE A 30 -5.576 3.313 -6.542 1.00 0.00 C ATOM 494 CE2 PHE A 30 -6.175 4.953 -4.858 1.00 0.00 C ATOM 495 CZ PHE A 30 -6.409 4.347 -6.099 1.00 0.00 C ATOM 0 H PHE A 30 -1.147 1.571 -4.018 1.00 0.00 H new ATOM 0 HA PHE A 30 -2.001 4.057 -5.170 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -3.098 1.938 -3.603 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -3.248 3.383 -2.623 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.863 2.088 -6.087 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -4.925 4.989 -3.104 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -5.758 2.845 -7.498 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -6.818 5.751 -4.516 1.00 0.00 H new ATOM 0 HZ PHE A 30 -7.233 4.678 -6.714 1.00 0.00 H new ATOM 505 N SER A 31 -0.467 4.036 -2.259 1.00 0.00 N ATOM 506 CA SER A 31 0.178 4.890 -1.269 1.00 0.00 C ATOM 507 C SER A 31 1.307 5.688 -1.904 1.00 0.00 C ATOM 508 O SER A 31 1.493 6.869 -1.610 1.00 0.00 O ATOM 509 CB SER A 31 0.731 4.040 -0.124 1.00 0.00 C ATOM 510 OG SER A 31 1.000 4.875 0.993 1.00 0.00 O ATOM 0 H SER A 31 -0.322 3.036 -2.118 1.00 0.00 H new ATOM 0 HA SER A 31 -0.566 5.584 -0.878 1.00 0.00 H new ATOM 0 HB2 SER A 31 0.013 3.267 0.150 1.00 0.00 H new ATOM 0 HB3 SER A 31 1.642 3.532 -0.440 1.00 0.00 H new ATOM 0 HG SER A 31 1.229 4.321 1.768 1.00 0.00 H new ATOM 516 N VAL A 32 2.056 5.031 -2.776 1.00 0.00 N ATOM 517 CA VAL A 32 3.169 5.681 -3.457 1.00 0.00 C ATOM 518 C VAL A 32 2.677 6.894 -4.239 1.00 0.00 C ATOM 519 O VAL A 32 3.243 7.982 -4.137 1.00 0.00 O ATOM 520 CB VAL A 32 3.850 4.697 -4.409 1.00 0.00 C ATOM 521 CG1 VAL A 32 4.738 5.464 -5.390 1.00 0.00 C ATOM 522 CG2 VAL A 32 4.709 3.722 -3.602 1.00 0.00 C ATOM 0 H VAL A 32 1.916 4.053 -3.029 1.00 0.00 H new ATOM 0 HA VAL A 32 3.888 6.011 -2.707 1.00 0.00 H new ATOM 0 HB VAL A 32 3.091 4.144 -4.963 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.223 4.761 -6.068 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.128 6.161 -5.965 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.497 6.017 -4.837 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.195 3.020 -4.279 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.467 4.277 -3.049 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.078 3.174 -2.903 1.00 0.00 H new ATOM 532 N VAL A 33 1.616 6.698 -5.016 1.00 0.00 N ATOM 533 CA VAL A 33 1.053 7.788 -5.806 1.00 0.00 C ATOM 534 C VAL A 33 0.655 8.948 -4.900 1.00 0.00 C ATOM 535 O VAL A 33 1.061 10.089 -5.122 1.00 0.00 O ATOM 536 CB VAL A 33 -0.171 7.294 -6.578 1.00 0.00 C ATOM 537 CG1 VAL A 33 -0.767 8.448 -7.389 1.00 0.00 C ATOM 538 CG2 VAL A 33 0.247 6.167 -7.526 1.00 0.00 C ATOM 0 H VAL A 33 1.133 5.805 -5.115 1.00 0.00 H new ATOM 0 HA VAL A 33 1.809 8.134 -6.511 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.917 6.923 -5.876 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.639 8.094 -7.939 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.064 9.251 -6.715 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.022 8.821 -8.092 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.624 5.813 -8.077 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.994 6.540 -8.227 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.670 5.344 -6.949 1.00 0.00 H new ATOM 548 N ILE A 34 -0.137 8.647 -3.876 1.00 0.00 N ATOM 549 CA ILE A 34 -0.581 9.673 -2.938 1.00 0.00 C ATOM 550 C ILE A 34 0.615 10.330 -2.266 1.00 0.00 C ATOM 551 O ILE A 34 0.514 11.435 -1.733 1.00 0.00 O ATOM 552 CB ILE A 34 -1.490 9.052 -1.876 1.00 0.00 C ATOM 553 CG1 ILE A 34 -2.801 8.604 -2.527 1.00 0.00 C ATOM 554 CG2 ILE A 34 -1.789 10.085 -0.790 1.00 0.00 C ATOM 555 CD1 ILE A 34 -3.522 7.621 -1.602 1.00 0.00 C ATOM 0 H ILE A 34 -0.483 7.709 -3.675 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.137 10.431 -3.490 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.991 8.192 -1.430 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.436 9.468 -2.722 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.599 8.133 -3.489 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.437 9.641 -0.034 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -0.856 10.405 -0.326 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.288 10.946 -1.235 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.455 7.302 -2.066 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.887 6.752 -1.429 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.737 8.108 -0.651 1.00 0.00 H new ATOM 567 N GLY A 35 1.740 9.636 -2.293 1.00 0.00 N ATOM 568 CA GLY A 35 2.960 10.147 -1.681 1.00 0.00 C ATOM 569 C GLY A 35 3.596 11.235 -2.526 1.00 0.00 C ATOM 570 O GLY A 35 3.802 12.358 -2.063 1.00 0.00 O ATOM 0 H GLY A 35 1.837 8.720 -2.730 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.733 10.541 -0.690 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.669 9.330 -1.545 1.00 0.00 H new ATOM 574 N SER A 36 3.896 10.899 -3.773 1.00 0.00 N ATOM 575 CA SER A 36 4.496 11.861 -4.678 1.00 0.00 C ATOM 576 C SER A 36 3.497 12.963 -4.954 1.00 0.00 C ATOM 577 O SER A 36 3.863 14.098 -5.262 1.00 0.00 O ATOM 578 CB SER A 36 4.901 11.179 -5.985 1.00 0.00 C ATOM 579 OG SER A 36 6.319 11.095 -6.050 1.00 0.00 O ATOM 0 H SER A 36 3.735 9.976 -4.175 1.00 0.00 H new ATOM 0 HA SER A 36 5.391 12.282 -4.221 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.463 10.182 -6.040 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.519 11.742 -6.836 1.00 0.00 H new ATOM 0 HG SER A 36 6.583 10.657 -6.886 1.00 0.00 H new ATOM 585 N ILE A 37 2.227 12.612 -4.825 1.00 0.00 N ATOM 586 CA ILE A 37 1.156 13.576 -5.045 1.00 0.00 C ATOM 587 C ILE A 37 1.073 14.532 -3.862 1.00 0.00 C ATOM 588 O ILE A 37 0.860 15.733 -4.030 1.00 0.00 O ATOM 589 CB ILE A 37 -0.177 12.852 -5.234 1.00 0.00 C ATOM 590 CG1 ILE A 37 -0.375 12.533 -6.719 1.00 0.00 C ATOM 591 CG2 ILE A 37 -1.326 13.739 -4.750 1.00 0.00 C ATOM 592 CD1 ILE A 37 -1.713 11.818 -6.916 1.00 0.00 C ATOM 0 H ILE A 37 1.913 11.675 -4.571 1.00 0.00 H new ATOM 0 HA ILE A 37 1.372 14.146 -5.949 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.168 11.928 -4.655 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.352 13.452 -7.305 1.00 0.00 H new ATOM 0 HG13 ILE A 37 0.441 11.906 -7.079 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -2.272 13.216 -4.888 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -1.189 13.968 -3.693 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -1.337 14.666 -5.324 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.852 11.592 -7.973 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -1.718 10.891 -6.343 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -2.523 12.461 -6.573 1.00 0.00 H new ATOM 604 N TYR A 38 1.251 13.984 -2.664 1.00 0.00 N ATOM 605 CA TYR A 38 1.202 14.792 -1.451 1.00 0.00 C ATOM 606 C TYR A 38 2.115 16.006 -1.588 1.00 0.00 C ATOM 607 O TYR A 38 1.761 17.111 -1.181 1.00 0.00 O ATOM 608 CB TYR A 38 1.638 13.956 -0.246 1.00 0.00 C ATOM 609 CG TYR A 38 2.015 14.874 0.891 1.00 0.00 C ATOM 610 CD1 TYR A 38 1.045 15.279 1.816 1.00 0.00 C ATOM 611 CD2 TYR A 38 3.336 15.320 1.022 1.00 0.00 C ATOM 612 CE1 TYR A 38 1.395 16.130 2.870 1.00 0.00 C ATOM 613 CE2 TYR A 38 3.686 16.171 2.077 1.00 0.00 C ATOM 614 CZ TYR A 38 2.715 16.576 3.001 1.00 0.00 C ATOM 615 OH TYR A 38 3.059 17.416 4.041 1.00 0.00 O ATOM 0 H TYR A 38 1.429 12.992 -2.508 1.00 0.00 H new ATOM 0 HA TYR A 38 0.177 15.132 -1.301 1.00 0.00 H new ATOM 0 HB2 TYR A 38 0.830 13.292 0.061 1.00 0.00 H new ATOM 0 HB3 TYR A 38 2.485 13.325 -0.515 1.00 0.00 H new ATOM 0 HD1 TYR A 38 0.026 14.934 1.716 1.00 0.00 H new ATOM 0 HD2 TYR A 38 4.085 15.007 0.309 1.00 0.00 H new ATOM 0 HE1 TYR A 38 0.646 16.443 3.583 1.00 0.00 H new ATOM 0 HE2 TYR A 38 4.705 16.515 2.178 1.00 0.00 H new ATOM 0 HH TYR A 38 3.292 16.882 4.829 1.00 0.00 H new ATOM 625 N LEU A 39 3.291 15.790 -2.168 1.00 0.00 N ATOM 626 CA LEU A 39 4.247 16.874 -2.359 1.00 0.00 C ATOM 627 C LEU A 39 3.603 18.016 -3.135 1.00 0.00 C ATOM 628 O LEU A 39 3.904 19.188 -2.903 1.00 0.00 O ATOM 629 CB LEU A 39 5.473 16.364 -3.120 1.00 0.00 C ATOM 630 CG LEU A 39 6.738 16.975 -2.517 1.00 0.00 C ATOM 631 CD1 LEU A 39 7.174 16.152 -1.302 1.00 0.00 C ATOM 632 CD2 LEU A 39 7.856 16.967 -3.563 1.00 0.00 C ATOM 0 H LEU A 39 3.603 14.882 -2.511 1.00 0.00 H new ATOM 0 HA LEU A 39 4.557 17.240 -1.380 1.00 0.00 H new ATOM 0 HB2 LEU A 39 5.521 15.276 -3.067 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.396 16.629 -4.175 1.00 0.00 H new ATOM 0 HG LEU A 39 6.534 18.000 -2.208 1.00 0.00 H new ATOM 0 HD11 LEU A 39 8.076 16.588 -0.872 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.379 16.155 -0.556 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.378 15.127 -1.611 1.00 0.00 H new ATOM 0 HD21 LEU A 39 8.759 17.402 -3.134 1.00 0.00 H new ATOM 0 HD22 LEU A 39 8.059 15.941 -3.871 1.00 0.00 H new ATOM 0 HD23 LEU A 39 7.548 17.552 -4.430 1.00 0.00 H new ATOM 644 N PHE A 40 2.715 17.665 -4.059 1.00 0.00 N ATOM 645 CA PHE A 40 2.029 18.667 -4.866 1.00 0.00 C ATOM 646 C PHE A 40 0.971 19.388 -4.039 1.00 0.00 C ATOM 647 O PHE A 40 0.672 20.558 -4.281 1.00 0.00 O ATOM 648 CB PHE A 40 1.368 17.999 -6.074 1.00 0.00 C ATOM 649 CG PHE A 40 2.204 18.241 -7.308 1.00 0.00 C ATOM 650 CD1 PHE A 40 2.280 19.524 -7.863 1.00 0.00 C ATOM 651 CD2 PHE A 40 2.903 17.181 -7.900 1.00 0.00 C ATOM 652 CE1 PHE A 40 3.053 19.748 -9.008 1.00 0.00 C ATOM 653 CE2 PHE A 40 3.677 17.405 -9.045 1.00 0.00 C ATOM 654 CZ PHE A 40 3.752 18.688 -9.599 1.00 0.00 C ATOM 0 H PHE A 40 2.455 16.701 -4.267 1.00 0.00 H new ATOM 0 HA PHE A 40 2.763 19.396 -5.210 1.00 0.00 H new ATOM 0 HB2 PHE A 40 1.263 16.928 -5.898 1.00 0.00 H new ATOM 0 HB3 PHE A 40 0.364 18.398 -6.219 1.00 0.00 H new ATOM 0 HD1 PHE A 40 1.742 20.342 -7.407 1.00 0.00 H new ATOM 0 HD2 PHE A 40 2.845 16.191 -7.473 1.00 0.00 H new ATOM 0 HE1 PHE A 40 3.110 20.738 -9.436 1.00 0.00 H new ATOM 0 HE2 PHE A 40 4.216 16.588 -9.501 1.00 0.00 H new ATOM 0 HZ PHE A 40 4.349 18.861 -10.482 1.00 0.00 H new ATOM 664 N LEU A 41 0.406 18.684 -3.062 1.00 0.00 N ATOM 665 CA LEU A 41 -0.621 19.272 -2.207 1.00 0.00 C ATOM 666 C LEU A 41 0.006 20.197 -1.175 1.00 0.00 C ATOM 667 O LEU A 41 -0.686 20.971 -0.514 1.00 0.00 O ATOM 668 CB LEU A 41 -1.413 18.171 -1.499 1.00 0.00 C ATOM 669 CG LEU A 41 -2.656 17.827 -2.321 1.00 0.00 C ATOM 670 CD1 LEU A 41 -3.051 16.372 -2.065 1.00 0.00 C ATOM 671 CD2 LEU A 41 -3.808 18.747 -1.908 1.00 0.00 C ATOM 0 H LEU A 41 0.639 17.715 -2.844 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.297 19.853 -2.835 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.791 17.285 -1.373 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.704 18.501 -0.502 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.441 17.964 -3.381 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.937 16.127 -2.651 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.231 15.716 -2.356 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.267 16.235 -1.006 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.695 18.504 -2.493 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -4.022 18.608 -0.848 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.528 19.785 -2.089 1.00 0.00 H new ATOM 683 N ARG A 42 1.318 20.108 -1.048 1.00 0.00 N ATOM 684 CA ARG A 42 2.045 20.941 -0.095 1.00 0.00 C ATOM 685 C ARG A 42 2.704 22.115 -0.810 1.00 0.00 C ATOM 686 O ARG A 42 3.211 23.039 -0.174 1.00 0.00 O ATOM 687 CB ARG A 42 3.109 20.112 0.625 1.00 0.00 C ATOM 688 CG ARG A 42 3.452 20.776 1.960 1.00 0.00 C ATOM 689 CD ARG A 42 4.429 19.893 2.741 1.00 0.00 C ATOM 690 NE ARG A 42 5.671 20.616 2.989 1.00 0.00 N ATOM 691 CZ ARG A 42 6.806 19.969 3.231 1.00 0.00 C ATOM 692 NH1 ARG A 42 6.821 18.664 3.255 1.00 0.00 N ATOM 693 NH2 ARG A 42 7.906 20.638 3.446 1.00 0.00 N ATOM 0 H ARG A 42 1.904 19.471 -1.588 1.00 0.00 H new ATOM 0 HA ARG A 42 1.336 21.327 0.638 1.00 0.00 H new ATOM 0 HB2 ARG A 42 2.744 19.099 0.793 1.00 0.00 H new ATOM 0 HB3 ARG A 42 4.003 20.031 0.006 1.00 0.00 H new ATOM 0 HG2 ARG A 42 3.893 21.757 1.786 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.544 20.934 2.542 1.00 0.00 H new ATOM 0 HD2 ARG A 42 3.981 19.590 3.687 1.00 0.00 H new ATOM 0 HD3 ARG A 42 4.636 18.982 2.180 1.00 0.00 H new ATOM 0 HE ARG A 42 5.668 21.636 2.976 1.00 0.00 H new ATOM 0 HH11 ARG A 42 5.961 18.141 3.088 1.00 0.00 H new ATOM 0 HH12 ARG A 42 7.692 18.167 3.441 1.00 0.00 H new ATOM 0 HH21 ARG A 42 7.894 21.658 3.428 1.00 0.00 H new ATOM 0 HH22 ARG A 42 8.777 20.141 3.632 1.00 0.00 H new ATOM 707 N LYS A 43 2.689 22.071 -2.136 1.00 0.00 N ATOM 708 CA LYS A 43 3.283 23.136 -2.934 1.00 0.00 C ATOM 709 C LYS A 43 2.192 23.962 -3.607 1.00 0.00 C ATOM 710 O LYS A 43 2.471 24.790 -4.475 1.00 0.00 O ATOM 711 CB LYS A 43 4.205 22.539 -4.000 1.00 0.00 C ATOM 712 CG LYS A 43 5.663 22.692 -3.562 1.00 0.00 C ATOM 713 CD LYS A 43 6.586 22.318 -4.722 1.00 0.00 C ATOM 714 CE LYS A 43 8.031 22.661 -4.357 1.00 0.00 C ATOM 715 NZ LYS A 43 8.829 22.845 -5.603 1.00 0.00 N ATOM 0 H LYS A 43 2.274 21.314 -2.679 1.00 0.00 H new ATOM 0 HA LYS A 43 3.864 23.782 -2.276 1.00 0.00 H new ATOM 0 HB2 LYS A 43 3.969 21.486 -4.151 1.00 0.00 H new ATOM 0 HB3 LYS A 43 4.047 23.041 -4.954 1.00 0.00 H new ATOM 0 HG2 LYS A 43 5.854 23.718 -3.248 1.00 0.00 H new ATOM 0 HG3 LYS A 43 5.865 22.053 -2.702 1.00 0.00 H new ATOM 0 HD2 LYS A 43 6.498 21.254 -4.942 1.00 0.00 H new ATOM 0 HD3 LYS A 43 6.290 22.855 -5.623 1.00 0.00 H new ATOM 0 HE2 LYS A 43 8.059 23.570 -3.757 1.00 0.00 H new ATOM 0 HE3 LYS A 43 8.463 21.865 -3.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 9.812 23.078 -5.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 8.812 21.966 -6.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 8.421 23.619 -6.165 1.00 0.00 H new ATOM 729 N ARG A 44 0.948 23.730 -3.199 1.00 0.00 N ATOM 730 CA ARG A 44 -0.182 24.455 -3.766 1.00 0.00 C ATOM 731 C ARG A 44 -1.277 24.641 -2.721 1.00 0.00 C ATOM 732 O ARG A 44 -2.371 25.114 -3.030 1.00 0.00 O ATOM 733 CB ARG A 44 -0.743 23.684 -4.962 1.00 0.00 C ATOM 734 CG ARG A 44 -1.642 24.605 -5.790 1.00 0.00 C ATOM 735 CD ARG A 44 -1.837 24.008 -7.184 1.00 0.00 C ATOM 736 NE ARG A 44 -2.116 22.581 -7.087 1.00 0.00 N ATOM 737 CZ ARG A 44 -2.000 21.784 -8.145 1.00 0.00 C ATOM 738 NH1 ARG A 44 -1.628 22.277 -9.294 1.00 0.00 N ATOM 739 NH2 ARG A 44 -2.260 20.511 -8.033 1.00 0.00 N ATOM 0 H ARG A 44 0.698 23.049 -2.482 1.00 0.00 H new ATOM 0 HA ARG A 44 0.163 25.436 -4.092 1.00 0.00 H new ATOM 0 HB2 ARG A 44 0.072 23.305 -5.578 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -1.310 22.820 -4.617 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.606 24.728 -5.297 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -1.194 25.596 -5.866 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -2.659 24.513 -7.692 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -0.943 24.171 -7.785 1.00 0.00 H new ATOM 0 HE ARG A 44 -2.405 22.187 -6.192 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -1.426 23.273 -9.380 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -1.539 21.666 -10.106 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -2.552 20.127 -7.134 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -2.171 19.899 -8.844 1.00 0.00 H new ATOM 753 N GLN A 45 -0.975 24.265 -1.483 1.00 0.00 N ATOM 754 CA GLN A 45 -1.941 24.393 -0.398 1.00 0.00 C ATOM 755 C GLN A 45 -1.230 24.659 0.925 1.00 0.00 C ATOM 756 O GLN A 45 -1.389 23.911 1.889 1.00 0.00 O ATOM 757 CB GLN A 45 -2.768 23.111 -0.286 1.00 0.00 C ATOM 758 CG GLN A 45 -4.129 23.431 0.334 1.00 0.00 C ATOM 759 CD GLN A 45 -4.941 22.150 0.493 1.00 0.00 C ATOM 760 OE1 GLN A 45 -5.727 21.800 -0.387 1.00 0.00 O ATOM 761 NE2 GLN A 45 -4.796 21.427 1.570 1.00 0.00 N ATOM 0 H GLN A 45 -0.075 23.872 -1.207 1.00 0.00 H new ATOM 0 HA GLN A 45 -2.599 25.234 -0.618 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -2.902 22.665 -1.272 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -2.241 22.379 0.326 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -3.993 23.909 1.304 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -4.668 24.138 -0.296 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -4.144 21.720 2.297 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -5.335 20.569 1.684 1.00 0.00 H new ATOM 770 N PRO A 46 -0.453 25.706 0.980 1.00 0.00 N ATOM 771 CA PRO A 46 0.305 26.087 2.207 1.00 0.00 C ATOM 772 C PRO A 46 -0.618 26.522 3.343 1.00 0.00 C ATOM 773 O PRO A 46 -0.196 27.221 4.264 1.00 0.00 O ATOM 774 CB PRO A 46 1.192 27.248 1.749 1.00 0.00 C ATOM 775 CG PRO A 46 0.533 27.802 0.529 1.00 0.00 C ATOM 776 CD PRO A 46 -0.217 26.644 -0.127 1.00 0.00 C ATOM 0 HA PRO A 46 0.873 25.248 2.609 1.00 0.00 H new ATOM 0 HB2 PRO A 46 1.277 28.007 2.527 1.00 0.00 H new ATOM 0 HB3 PRO A 46 2.202 26.905 1.527 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -0.152 28.608 0.791 1.00 0.00 H new ATOM 0 HG3 PRO A 46 1.272 28.221 -0.154 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -1.153 26.977 -0.576 1.00 0.00 H new ATOM 0 HD3 PRO A 46 0.372 26.185 -0.921 1.00 0.00 H new ATOM 784 N ASP A 47 -1.878 26.108 3.266 1.00 0.00 N ATOM 785 CA ASP A 47 -2.851 26.460 4.283 1.00 0.00 C ATOM 786 C ASP A 47 -2.526 25.779 5.601 1.00 0.00 C ATOM 787 O ASP A 47 -3.414 25.330 6.325 1.00 0.00 O ATOM 788 CB ASP A 47 -4.259 26.074 3.827 1.00 0.00 C ATOM 789 CG ASP A 47 -4.412 26.341 2.334 1.00 0.00 C ATOM 790 OD1 ASP A 47 -3.526 26.961 1.770 1.00 0.00 O ATOM 791 OD2 ASP A 47 -5.413 25.922 1.776 1.00 0.00 O ATOM 0 H ASP A 47 -2.245 25.530 2.510 1.00 0.00 H new ATOM 0 HA ASP A 47 -2.810 27.539 4.433 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -4.443 25.020 4.038 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -5.001 26.645 4.385 1.00 0.00 H new ATOM 796 N GLY A 48 -1.241 25.712 5.899 1.00 0.00 N ATOM 797 CA GLY A 48 -0.776 25.087 7.132 1.00 0.00 C ATOM 798 C GLY A 48 -1.338 23.676 7.275 1.00 0.00 C ATOM 799 O GLY A 48 -2.215 23.425 8.103 1.00 0.00 O ATOM 0 H GLY A 48 -0.498 26.082 5.306 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.313 25.051 7.137 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -1.079 25.691 7.987 1.00 0.00 H new ATOM 803 N PRO A 49 -0.848 22.761 6.485 1.00 0.00 N ATOM 804 CA PRO A 49 -1.301 21.341 6.512 1.00 0.00 C ATOM 805 C PRO A 49 -1.372 20.785 7.932 1.00 0.00 C ATOM 806 O PRO A 49 -0.898 21.410 8.879 1.00 0.00 O ATOM 807 CB PRO A 49 -0.238 20.607 5.692 1.00 0.00 C ATOM 808 CG PRO A 49 0.335 21.634 4.771 1.00 0.00 C ATOM 809 CD PRO A 49 0.197 22.986 5.474 1.00 0.00 C ATOM 0 HA PRO A 49 -2.309 21.226 6.114 1.00 0.00 H new ATOM 0 HB2 PRO A 49 0.533 20.185 6.337 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -0.675 19.779 5.134 1.00 0.00 H new ATOM 0 HG2 PRO A 49 1.381 21.417 4.553 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -0.195 21.638 3.819 1.00 0.00 H new ATOM 0 HD2 PRO A 49 1.136 23.294 5.934 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -0.088 23.772 4.774 1.00 0.00 H new ATOM 817 N LEU A 50 -1.970 19.604 8.070 1.00 0.00 N ATOM 818 CA LEU A 50 -2.100 18.972 9.378 1.00 0.00 C ATOM 819 C LEU A 50 -1.083 17.844 9.532 1.00 0.00 C ATOM 820 O LEU A 50 -1.361 16.826 10.164 1.00 0.00 O ATOM 821 CB LEU A 50 -3.513 18.412 9.550 1.00 0.00 C ATOM 822 CG LEU A 50 -4.527 19.556 9.488 1.00 0.00 C ATOM 823 CD1 LEU A 50 -5.895 19.005 9.084 1.00 0.00 C ATOM 824 CD2 LEU A 50 -4.633 20.220 10.863 1.00 0.00 C ATOM 0 H LEU A 50 -2.369 19.070 7.298 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.911 19.724 10.144 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.724 17.682 8.768 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.595 17.890 10.504 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.199 20.291 8.753 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -6.617 19.820 9.040 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.822 18.532 8.105 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -6.223 18.270 9.819 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -5.355 21.035 10.819 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -4.960 19.485 11.598 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.659 20.614 11.153 1.00 0.00 H new ATOM 836 N GLU A 51 0.097 18.034 8.948 1.00 0.00 N ATOM 837 CA GLU A 51 1.146 17.024 9.027 1.00 0.00 C ATOM 838 C GLU A 51 0.719 15.748 8.310 1.00 0.00 C ATOM 839 O GLU A 51 -0.472 15.481 8.152 1.00 0.00 O ATOM 840 CB GLU A 51 1.459 16.708 10.491 1.00 0.00 C ATOM 841 CG GLU A 51 2.821 16.017 10.584 1.00 0.00 C ATOM 842 CD GLU A 51 3.920 16.967 10.120 1.00 0.00 C ATOM 843 OE1 GLU A 51 3.651 18.152 10.028 1.00 0.00 O ATOM 844 OE2 GLU A 51 5.015 16.494 9.863 1.00 0.00 O ATOM 0 H GLU A 51 0.349 18.870 8.420 1.00 0.00 H new ATOM 0 HA GLU A 51 2.039 17.418 8.541 1.00 0.00 H new ATOM 0 HB2 GLU A 51 1.464 17.626 11.079 1.00 0.00 H new ATOM 0 HB3 GLU A 51 0.684 16.066 10.909 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.010 15.703 11.611 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.824 15.116 9.970 1.00 0.00 H new ATOM 851 N HIS A 52 1.700 14.963 7.876 1.00 0.00 N ATOM 852 CA HIS A 52 1.415 13.715 7.175 1.00 0.00 C ATOM 853 C HIS A 52 1.621 12.522 8.103 1.00 0.00 C ATOM 854 O HIS A 52 2.510 12.531 8.954 1.00 0.00 O ATOM 855 CB HIS A 52 2.331 13.581 5.958 1.00 0.00 C ATOM 856 CG HIS A 52 3.665 14.206 6.262 1.00 0.00 C ATOM 857 ND1 HIS A 52 3.800 15.556 6.552 1.00 0.00 N ATOM 858 CD2 HIS A 52 4.930 13.680 6.329 1.00 0.00 C ATOM 859 CE1 HIS A 52 5.105 15.794 6.776 1.00 0.00 C ATOM 860 NE2 HIS A 52 5.838 14.684 6.653 1.00 0.00 N ATOM 0 H HIS A 52 2.692 15.166 7.996 1.00 0.00 H new ATOM 0 HA HIS A 52 0.375 13.731 6.848 1.00 0.00 H new ATOM 0 HB2 HIS A 52 2.460 12.530 5.701 1.00 0.00 H new ATOM 0 HB3 HIS A 52 1.878 14.067 5.094 1.00 0.00 H new ATOM 0 HD2 HIS A 52 5.183 12.644 6.157 1.00 0.00 H new ATOM 0 HE1 HIS A 52 5.510 16.764 7.025 1.00 0.00 H new ATOM 0 HE2 HIS A 52 6.847 14.592 6.771 1.00 0.00 H new ATOM 869 N HIS A 53 0.794 11.494 7.932 1.00 0.00 N ATOM 870 CA HIS A 53 0.897 10.297 8.760 1.00 0.00 C ATOM 871 C HIS A 53 0.580 9.049 7.941 1.00 0.00 C ATOM 872 O HIS A 53 -0.437 8.991 7.248 1.00 0.00 O ATOM 873 CB HIS A 53 -0.070 10.392 9.942 1.00 0.00 C ATOM 874 CG HIS A 53 0.072 9.166 10.802 1.00 0.00 C ATOM 875 ND1 HIS A 53 1.301 8.571 11.046 1.00 0.00 N ATOM 876 CD2 HIS A 53 -0.850 8.412 11.486 1.00 0.00 C ATOM 877 CE1 HIS A 53 1.086 7.509 11.843 1.00 0.00 C ATOM 878 NE2 HIS A 53 -0.207 7.367 12.143 1.00 0.00 N ATOM 0 H HIS A 53 0.051 11.466 7.234 1.00 0.00 H new ATOM 0 HA HIS A 53 1.919 10.224 9.132 1.00 0.00 H new ATOM 0 HB2 HIS A 53 0.140 11.287 10.527 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -1.095 10.480 9.582 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -1.913 8.601 11.510 1.00 0.00 H new ATOM 0 HE1 HIS A 53 1.865 6.851 12.197 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -0.632 6.648 12.728 1.00 0.00 H new ATOM 887 N HIS A 54 1.456 8.053 8.027 1.00 0.00 N ATOM 888 CA HIS A 54 1.259 6.809 7.291 1.00 0.00 C ATOM 889 C HIS A 54 1.069 5.641 8.254 1.00 0.00 C ATOM 890 O HIS A 54 2.033 5.142 8.835 1.00 0.00 O ATOM 891 CB HIS A 54 2.465 6.539 6.390 1.00 0.00 C ATOM 892 CG HIS A 54 2.334 5.172 5.778 1.00 0.00 C ATOM 893 ND1 HIS A 54 2.609 4.014 6.489 1.00 0.00 N ATOM 894 CD2 HIS A 54 1.958 4.760 4.523 1.00 0.00 C ATOM 895 CE1 HIS A 54 2.396 2.971 5.666 1.00 0.00 C ATOM 896 NE2 HIS A 54 1.998 3.371 4.455 1.00 0.00 N ATOM 0 H HIS A 54 2.303 8.082 8.594 1.00 0.00 H new ATOM 0 HA HIS A 54 0.363 6.909 6.678 1.00 0.00 H new ATOM 0 HB2 HIS A 54 2.525 7.296 5.608 1.00 0.00 H new ATOM 0 HB3 HIS A 54 3.387 6.604 6.968 1.00 0.00 H new ATOM 0 HD1 HIS A 54 2.917 3.962 7.460 1.00 0.00 H new ATOM 0 HD2 HIS A 54 1.674 5.415 3.712 1.00 0.00 H new ATOM 0 HE1 HIS A 54 2.530 1.938 5.950 1.00 0.00 H new ATOM 905 N HIS A 55 -0.176 5.210 8.416 1.00 0.00 N ATOM 906 CA HIS A 55 -0.479 4.099 9.312 1.00 0.00 C ATOM 907 C HIS A 55 0.474 4.095 10.502 1.00 0.00 C ATOM 908 O HIS A 55 0.432 4.989 11.347 1.00 0.00 O ATOM 909 CB HIS A 55 -0.362 2.774 8.557 1.00 0.00 C ATOM 910 CG HIS A 55 -1.355 2.751 7.429 1.00 0.00 C ATOM 911 ND1 HIS A 55 -1.588 3.624 6.395 1.00 0.00 N flip ATOM 912 CD2 HIS A 55 -2.271 1.724 7.272 1.00 0.00 C flip ATOM 913 CE1 HIS A 55 -2.633 3.149 5.608 1.00 0.00 C flip ATOM 914 NE2 HIS A 55 -3.008 2.002 6.181 1.00 0.00 N flip ATOM 0 H HIS A 55 -0.987 5.609 7.943 1.00 0.00 H new ATOM 0 HA HIS A 55 -1.498 4.220 9.679 1.00 0.00 H new ATOM 0 HB2 HIS A 55 0.649 2.653 8.168 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -0.545 1.940 9.234 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -2.375 0.858 7.909 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -3.051 3.609 4.724 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -3.762 1.409 5.834 1.00 0.00 H new ATOM 923 N HIS A 56 1.334 3.083 10.562 1.00 0.00 N ATOM 924 CA HIS A 56 2.294 2.974 11.654 1.00 0.00 C ATOM 925 C HIS A 56 3.713 3.209 11.145 1.00 0.00 C ATOM 926 O HIS A 56 3.932 4.018 10.243 1.00 0.00 O ATOM 927 CB HIS A 56 2.203 1.586 12.294 1.00 0.00 C ATOM 928 CG HIS A 56 0.817 1.374 12.837 1.00 0.00 C ATOM 929 ND1 HIS A 56 0.006 0.337 12.406 1.00 0.00 N ATOM 930 CD2 HIS A 56 0.088 2.055 13.778 1.00 0.00 C ATOM 931 CE1 HIS A 56 -1.155 0.424 13.081 1.00 0.00 C ATOM 932 NE2 HIS A 56 -1.158 1.453 13.930 1.00 0.00 N ATOM 0 H HIS A 56 1.386 2.333 9.873 1.00 0.00 H new ATOM 0 HA HIS A 56 2.056 3.734 12.399 1.00 0.00 H new ATOM 0 HB2 HIS A 56 2.438 0.818 11.557 1.00 0.00 H new ATOM 0 HB3 HIS A 56 2.937 1.494 13.095 1.00 0.00 H new ATOM 0 HD2 HIS A 56 0.429 2.926 14.319 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -1.984 -0.256 12.951 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -1.911 1.738 14.556 1.00 0.00 H new ATOM 941 N HIS A 57 4.673 2.499 11.728 1.00 0.00 N ATOM 942 CA HIS A 57 6.066 2.639 11.323 1.00 0.00 C ATOM 943 C HIS A 57 6.605 1.316 10.789 1.00 0.00 C ATOM 944 O HIS A 57 6.171 0.835 9.742 1.00 0.00 O ATOM 945 CB HIS A 57 6.913 3.094 12.512 1.00 0.00 C ATOM 946 CG HIS A 57 6.034 3.769 13.528 1.00 0.00 C ATOM 947 ND1 HIS A 57 4.938 3.139 14.095 1.00 0.00 N ATOM 948 CD2 HIS A 57 6.080 5.020 14.094 1.00 0.00 C ATOM 949 CE1 HIS A 57 4.374 4.003 14.958 1.00 0.00 C ATOM 950 NE2 HIS A 57 5.030 5.165 14.996 1.00 0.00 N ATOM 0 H HIS A 57 4.514 1.825 12.477 1.00 0.00 H new ATOM 0 HA HIS A 57 6.120 3.386 10.531 1.00 0.00 H new ATOM 0 HB2 HIS A 57 7.415 2.238 12.962 1.00 0.00 H new ATOM 0 HB3 HIS A 57 7.691 3.780 12.176 1.00 0.00 H new ATOM 0 HD2 HIS A 57 6.819 5.776 13.873 1.00 0.00 H new ATOM 0 HE1 HIS A 57 3.497 3.783 15.549 1.00 0.00 H new ATOM 0 HE2 HIS A 57 4.809 5.983 15.564 1.00 0.00 H new TER 959 HIS A 57