USER MOD reduce.3.24.130724 H: found=0, std=0, add=864, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 862 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 61 HIS :FLIP no HD1:sc=-0.00809 F(o=-5.1!,f=-0.72) USER MOD Set 1.2: A 83 ASN : amide:sc= -0.716 K(o=-0.72,f=-6.1!) USER MOD Set 2.1: A 39 ASN : amide:sc= 0.487 K(o=-0.3,f=-7.5!) USER MOD Set 2.2: A 42 GLN :FLIP amide:sc= -0.787 F(o=-2.1!,f=-0.3) USER MOD Single : A 4 ASN : amide:sc= -1.77! C(o=-1.8!,f=-8.5!) USER MOD Single : A 5 LYS NZ :NH3+ 151:sc= -1.4 (180deg=-3.07!) USER MOD Single : A 7 CYS SG : rot 180:sc= -0.0637 USER MOD Single : A 10 THR OG1 : rot -31:sc= 0.499 USER MOD Single : A 13 GLN :FLIP amide:sc= 0.421 F(o=-3.1!,f=0.42) USER MOD Single : A 16 LYS NZ :NH3+ 169:sc= -0.0106 (180deg=-0.135) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= -0.13 USER MOD Single : A 33 THR OG1 : rot -3:sc= 0.38 USER MOD Single : A 34 SER OG : rot -170:sc= -0.142 USER MOD Single : A 37 CYS SG : rot 150:sc= -1.65 USER MOD Single : A 44 GLN :FLIP amide:sc= -0.0777 F(o=-2.4,f=-0.078) USER MOD Single : A 47 MET CE :methyl -137:sc= 0 (180deg=-0.625) USER MOD Single : A 53 GLN :FLIP amide:sc= -2.04 F(o=-3!,f=-2) USER MOD Single : A 54 TYR OH : rot 180:sc= -1.15 USER MOD Single : A 60 ASN : amide:sc= -1.49! C(o=-1.5!,f=-7!) USER MOD Single : A 69 LYS NZ :NH3+ -147:sc= 2.43 (180deg=0.796) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 18:sc= 1.01 USER MOD Single : A 79 GLN : amide:sc= -4.31! C(o=-4.3!,f=-5.9!) USER MOD Single : A 81 HIS :FLIP no HD1:sc= -1.33 F(o=-2.1,f=-1.3) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 TYR OH : rot 79:sc= 0.319 USER MOD Single : A 91 THR OG1 : rot 67:sc=0.000631 USER MOD Single : A 99 HIS : no HD1:sc= -0.143 X(o=-0.14,f=-0.16) USER MOD Single : A 104 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.227) USER MOD Single : A 118 GLN :FLIP amide:sc= 0 F(o=-0.97,f=0) USER MOD Single : A 119 HIS : no HE2:sc= 0.774 K(o=0.77,f=-5.2!) USER MOD Single : A 122 LYS NZ :NH3+ -154:sc= 1.11 (180deg=0.728) USER MOD Single : A 123 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 42 N ASN A 4 -7.956 8.097 -7.701 1.00 0.00 N ATOM 43 CA ASN A 4 -9.255 8.089 -7.030 1.00 0.00 C ATOM 44 C ASN A 4 -9.067 7.496 -5.661 1.00 0.00 C ATOM 45 O ASN A 4 -9.967 6.898 -5.076 1.00 0.00 O ATOM 46 CB ASN A 4 -10.362 7.360 -7.852 1.00 0.00 C ATOM 47 CG ASN A 4 -10.209 5.847 -8.007 1.00 0.00 C ATOM 48 OD1 ASN A 4 -9.611 5.363 -8.949 1.00 0.00 O ATOM 49 ND2 ASN A 4 -10.760 5.092 -7.087 1.00 0.00 N ATOM 0 HA ASN A 4 -9.618 9.113 -6.940 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -11.324 7.559 -7.381 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -10.396 7.804 -8.847 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -10.692 4.076 -7.153 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -11.257 5.520 -6.306 1.00 0.00 H new ATOM 56 N LYS A 5 -7.868 7.750 -5.164 1.00 0.00 N ATOM 57 CA LYS A 5 -7.342 7.306 -3.867 1.00 0.00 C ATOM 58 C LYS A 5 -8.373 7.334 -2.744 1.00 0.00 C ATOM 59 O LYS A 5 -8.659 8.386 -2.184 1.00 0.00 O ATOM 60 CB LYS A 5 -6.184 8.212 -3.444 1.00 0.00 C ATOM 61 CG LYS A 5 -5.036 8.279 -4.421 1.00 0.00 C ATOM 62 CD LYS A 5 -3.954 9.282 -3.988 1.00 0.00 C ATOM 63 CE LYS A 5 -4.334 10.773 -4.191 1.00 0.00 C ATOM 64 NZ LYS A 5 -5.462 11.268 -3.346 1.00 0.00 N ATOM 0 H LYS A 5 -7.187 8.306 -5.681 1.00 0.00 H new ATOM 0 HA LYS A 5 -7.028 6.273 -4.014 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.569 9.220 -3.290 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -5.804 7.865 -2.483 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -4.590 7.289 -4.522 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -5.415 8.560 -5.404 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -3.727 9.119 -2.934 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -3.041 9.074 -4.546 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -3.455 11.385 -3.989 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -4.594 10.925 -5.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -5.340 12.285 -3.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -6.362 11.110 -3.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -5.470 10.754 -2.442 1.00 0.00 H new ATOM 78 N VAL A 6 -8.954 6.203 -2.453 1.00 0.00 N ATOM 79 CA VAL A 6 -9.827 6.109 -1.317 1.00 0.00 C ATOM 80 C VAL A 6 -9.053 5.854 -0.061 1.00 0.00 C ATOM 81 O VAL A 6 -8.449 4.810 0.105 1.00 0.00 O ATOM 82 CB VAL A 6 -10.960 5.051 -1.450 1.00 0.00 C ATOM 83 CG1 VAL A 6 -12.073 5.567 -2.315 1.00 0.00 C ATOM 84 CG2 VAL A 6 -10.443 3.736 -2.011 1.00 0.00 C ATOM 0 H VAL A 6 -8.840 5.339 -2.983 1.00 0.00 H new ATOM 0 HA VAL A 6 -10.318 7.081 -1.270 1.00 0.00 H new ATOM 0 HB VAL A 6 -11.342 4.866 -0.446 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -12.854 4.810 -2.393 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -12.488 6.472 -1.872 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -11.686 5.794 -3.309 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -11.265 3.025 -2.088 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -10.016 3.905 -2.999 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -9.677 3.334 -1.348 1.00 0.00 H new ATOM 94 N CYS A 7 -9.050 6.821 0.786 1.00 0.00 N ATOM 95 CA CYS A 7 -8.507 6.687 2.095 1.00 0.00 C ATOM 96 C CYS A 7 -9.671 6.241 2.965 1.00 0.00 C ATOM 97 O CYS A 7 -10.804 6.251 2.465 1.00 0.00 O ATOM 98 CB CYS A 7 -7.887 8.006 2.561 1.00 0.00 C ATOM 99 SG CYS A 7 -8.994 9.419 2.467 1.00 0.00 S ATOM 0 H CYS A 7 -9.432 7.746 0.587 1.00 0.00 H new ATOM 0 HA CYS A 7 -7.695 5.962 2.142 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -7.550 7.891 3.591 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -7.003 8.211 1.957 1.00 0.00 H new ATOM 0 HG CYS A 7 -8.376 10.483 2.885 1.00 0.00 H new ATOM 105 N GLY A 8 -9.411 5.816 4.217 1.00 0.00 N ATOM 106 CA GLY A 8 -10.440 5.219 5.062 1.00 0.00 C ATOM 107 C GLY A 8 -11.783 5.875 4.992 1.00 0.00 C ATOM 108 O GLY A 8 -11.929 7.077 5.245 1.00 0.00 O ATOM 0 H GLY A 8 -8.493 5.879 4.657 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -10.551 4.170 4.786 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -10.096 5.241 6.096 1.00 0.00 H new ATOM 112 N LEU A 9 -12.726 5.092 4.590 1.00 0.00 N ATOM 113 CA LEU A 9 -14.068 5.482 4.407 1.00 0.00 C ATOM 114 C LEU A 9 -14.852 4.199 4.475 1.00 0.00 C ATOM 115 O LEU A 9 -14.349 3.167 4.052 1.00 0.00 O ATOM 116 CB LEU A 9 -14.204 6.152 3.034 1.00 0.00 C ATOM 117 CG LEU A 9 -15.554 6.747 2.661 1.00 0.00 C ATOM 118 CD1 LEU A 9 -15.993 7.782 3.689 1.00 0.00 C ATOM 119 CD2 LEU A 9 -15.447 7.382 1.289 1.00 0.00 C ATOM 0 H LEU A 9 -12.564 4.109 4.370 1.00 0.00 H new ATOM 0 HA LEU A 9 -14.422 6.197 5.150 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -13.461 6.947 2.975 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -13.943 5.415 2.275 1.00 0.00 H new ATOM 0 HG LEU A 9 -16.303 5.955 2.645 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -16.960 8.193 3.401 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -16.076 7.310 4.668 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -15.257 8.584 3.735 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -16.409 7.812 1.011 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -14.691 8.167 1.309 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -15.164 6.624 0.558 1.00 0.00 H new ATOM 131 N THR A 10 -16.037 4.236 4.991 1.00 0.00 N ATOM 132 CA THR A 10 -16.756 3.001 5.223 1.00 0.00 C ATOM 133 C THR A 10 -18.197 3.118 4.711 1.00 0.00 C ATOM 134 O THR A 10 -19.068 2.283 4.981 1.00 0.00 O ATOM 135 CB THR A 10 -16.683 2.620 6.745 1.00 0.00 C ATOM 136 OG1 THR A 10 -17.329 1.371 7.009 1.00 0.00 O ATOM 137 CG2 THR A 10 -17.282 3.712 7.621 1.00 0.00 C ATOM 0 H THR A 10 -16.531 5.087 5.260 1.00 0.00 H new ATOM 0 HA THR A 10 -16.289 2.191 4.663 1.00 0.00 H new ATOM 0 HB THR A 10 -15.627 2.517 6.993 1.00 0.00 H new ATOM 0 HG1 THR A 10 -18.071 1.247 6.381 1.00 0.00 H new ATOM 0 HG21 THR A 10 -17.215 3.416 8.668 1.00 0.00 H new ATOM 0 HG22 THR A 10 -16.732 4.641 7.471 1.00 0.00 H new ATOM 0 HG23 THR A 10 -18.328 3.861 7.352 1.00 0.00 H new ATOM 145 N ARG A 11 -18.416 4.126 3.909 1.00 0.00 N ATOM 146 CA ARG A 11 -19.712 4.364 3.343 1.00 0.00 C ATOM 147 C ARG A 11 -19.648 4.005 1.884 1.00 0.00 C ATOM 148 O ARG A 11 -18.906 4.639 1.144 1.00 0.00 O ATOM 149 CB ARG A 11 -20.076 5.835 3.422 1.00 0.00 C ATOM 150 CG ARG A 11 -20.074 6.467 4.787 1.00 0.00 C ATOM 151 CD ARG A 11 -20.294 7.963 4.638 1.00 0.00 C ATOM 152 NE ARG A 11 -20.246 8.674 5.904 1.00 0.00 N ATOM 153 CZ ARG A 11 -19.799 9.930 6.065 1.00 0.00 C ATOM 154 NH1 ARG A 11 -19.290 10.614 5.030 1.00 0.00 N ATOM 155 NH2 ARG A 11 -19.850 10.493 7.262 1.00 0.00 N ATOM 0 H ARG A 11 -17.703 4.801 3.632 1.00 0.00 H new ATOM 0 HA ARG A 11 -20.449 3.775 3.889 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -19.382 6.390 2.791 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -21.069 5.962 2.992 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -20.858 6.031 5.405 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -19.127 6.274 5.290 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -19.536 8.371 3.970 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -21.261 8.137 4.167 1.00 0.00 H new ATOM 0 HE ARG A 11 -20.577 8.182 6.734 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -19.239 10.181 4.108 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -18.954 11.567 5.165 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -20.227 9.973 8.054 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -19.512 11.447 7.392 1.00 0.00 H new ATOM 169 N GLY A 12 -20.390 3.005 1.490 1.00 0.00 N ATOM 170 CA GLY A 12 -20.494 2.593 0.099 1.00 0.00 C ATOM 171 C GLY A 12 -20.851 3.745 -0.799 1.00 0.00 C ATOM 172 O GLY A 12 -20.159 4.060 -1.765 1.00 0.00 O ATOM 0 H GLY A 12 -20.950 2.440 2.128 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -19.547 2.160 -0.224 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -21.249 1.812 0.007 1.00 0.00 H new ATOM 176 N GLN A 13 -21.912 4.388 -0.411 1.00 0.00 N ATOM 177 CA GLN A 13 -22.484 5.556 -1.050 1.00 0.00 C ATOM 178 C GLN A 13 -21.480 6.708 -1.190 1.00 0.00 C ATOM 179 O GLN A 13 -21.606 7.531 -2.081 1.00 0.00 O ATOM 180 CB GLN A 13 -23.714 6.029 -0.253 1.00 0.00 C ATOM 181 CG GLN A 13 -24.987 5.174 -0.397 1.00 0.00 C ATOM 182 CD GLN A 13 -24.899 3.702 0.055 1.00 0.00 C ATOM 183 OE1 GLN A 13 -24.097 3.377 1.059 1.00 0.00 O flip ATOM 184 NE2 GLN A 13 -25.585 2.859 -0.497 1.00 0.00 N flip ATOM 0 H GLN A 13 -22.441 4.099 0.412 1.00 0.00 H new ATOM 0 HA GLN A 13 -22.775 5.263 -2.059 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -23.444 6.067 0.802 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -23.949 7.048 -0.559 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -25.784 5.655 0.170 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -25.288 5.189 -1.445 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -26.197 3.125 -1.268 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -25.547 1.888 -0.188 1.00 0.00 H new ATOM 193 N ASP A 14 -20.489 6.736 -0.334 1.00 0.00 N ATOM 194 CA ASP A 14 -19.502 7.810 -0.343 1.00 0.00 C ATOM 195 C ASP A 14 -18.315 7.352 -1.188 1.00 0.00 C ATOM 196 O ASP A 14 -17.823 8.069 -2.058 1.00 0.00 O ATOM 197 CB ASP A 14 -19.053 8.088 1.105 1.00 0.00 C ATOM 198 CG ASP A 14 -18.454 9.465 1.348 1.00 0.00 C ATOM 199 OD1 ASP A 14 -17.630 9.934 0.560 1.00 0.00 O ATOM 200 OD2 ASP A 14 -18.823 10.105 2.369 1.00 0.00 O ATOM 0 H ASP A 14 -20.336 6.028 0.384 1.00 0.00 H new ATOM 0 HA ASP A 14 -19.921 8.725 -0.762 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -19.912 7.962 1.764 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -18.319 7.335 1.391 1.00 0.00 H new ATOM 205 N ALA A 15 -17.924 6.105 -0.965 1.00 0.00 N ATOM 206 CA ALA A 15 -16.785 5.463 -1.619 1.00 0.00 C ATOM 207 C ALA A 15 -16.984 5.336 -3.125 1.00 0.00 C ATOM 208 O ALA A 15 -16.012 5.415 -3.908 1.00 0.00 O ATOM 209 CB ALA A 15 -16.564 4.089 -1.001 1.00 0.00 C ATOM 0 H ALA A 15 -18.402 5.492 -0.305 1.00 0.00 H new ATOM 0 HA ALA A 15 -15.907 6.090 -1.464 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -15.716 3.605 -1.485 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -16.361 4.198 0.064 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -17.457 3.480 -1.140 1.00 0.00 H new ATOM 215 N LYS A 16 -18.239 5.167 -3.536 1.00 0.00 N ATOM 216 CA LYS A 16 -18.577 5.015 -4.942 1.00 0.00 C ATOM 217 C LYS A 16 -18.160 6.223 -5.757 1.00 0.00 C ATOM 218 O LYS A 16 -17.910 6.091 -6.918 1.00 0.00 O ATOM 219 CB LYS A 16 -20.071 4.725 -5.157 1.00 0.00 C ATOM 220 CG LYS A 16 -21.004 5.848 -4.730 1.00 0.00 C ATOM 221 CD LYS A 16 -22.456 5.508 -5.018 1.00 0.00 C ATOM 222 CE LYS A 16 -23.392 6.649 -4.630 1.00 0.00 C ATOM 223 NZ LYS A 16 -23.155 7.881 -5.426 1.00 0.00 N ATOM 0 H LYS A 16 -19.041 5.132 -2.907 1.00 0.00 H new ATOM 0 HA LYS A 16 -18.014 4.150 -5.293 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -20.238 4.514 -6.213 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -20.335 3.822 -4.606 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -20.879 6.040 -3.664 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -20.734 6.765 -5.253 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -22.574 5.286 -6.079 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -22.734 4.607 -4.471 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -24.425 6.328 -4.764 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -23.263 6.875 -3.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -23.928 8.557 -5.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -22.252 8.310 -5.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -23.119 7.640 -6.437 1.00 0.00 H new ATOM 237 N ALA A 17 -18.037 7.388 -5.114 1.00 0.00 N ATOM 238 CA ALA A 17 -17.655 8.619 -5.806 1.00 0.00 C ATOM 239 C ALA A 17 -16.240 8.537 -6.369 1.00 0.00 C ATOM 240 O ALA A 17 -15.919 9.198 -7.350 1.00 0.00 O ATOM 241 CB ALA A 17 -17.780 9.813 -4.885 1.00 0.00 C ATOM 0 H ALA A 17 -18.197 7.503 -4.113 1.00 0.00 H new ATOM 0 HA ALA A 17 -18.341 8.744 -6.643 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -17.491 10.717 -5.420 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -18.812 9.906 -4.547 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -17.127 9.677 -4.023 1.00 0.00 H new ATOM 247 N ALA A 18 -15.405 7.724 -5.758 1.00 0.00 N ATOM 248 CA ALA A 18 -14.054 7.562 -6.225 1.00 0.00 C ATOM 249 C ALA A 18 -14.027 6.530 -7.333 1.00 0.00 C ATOM 250 O ALA A 18 -13.414 6.726 -8.371 1.00 0.00 O ATOM 251 CB ALA A 18 -13.178 7.137 -5.092 1.00 0.00 C ATOM 0 H ALA A 18 -15.642 7.167 -4.937 1.00 0.00 H new ATOM 0 HA ALA A 18 -13.682 8.509 -6.615 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -12.155 7.015 -5.449 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -13.201 7.896 -4.310 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -13.537 6.190 -4.690 1.00 0.00 H new ATOM 257 N TYR A 19 -14.718 5.428 -7.109 1.00 0.00 N ATOM 258 CA TYR A 19 -14.857 4.385 -8.109 1.00 0.00 C ATOM 259 C TYR A 19 -15.537 4.941 -9.360 1.00 0.00 C ATOM 260 O TYR A 19 -15.172 4.596 -10.468 1.00 0.00 O ATOM 261 CB TYR A 19 -15.583 3.180 -7.490 1.00 0.00 C ATOM 262 CG TYR A 19 -16.599 2.493 -8.359 1.00 0.00 C ATOM 263 CD1 TYR A 19 -16.209 1.570 -9.305 1.00 0.00 C ATOM 264 CD2 TYR A 19 -17.949 2.777 -8.230 1.00 0.00 C ATOM 265 CE1 TYR A 19 -17.135 0.946 -10.114 1.00 0.00 C ATOM 266 CE2 TYR A 19 -18.879 2.158 -9.026 1.00 0.00 C ATOM 267 CZ TYR A 19 -18.471 1.245 -9.967 1.00 0.00 C ATOM 268 OH TYR A 19 -19.402 0.645 -10.778 1.00 0.00 O ATOM 0 H TYR A 19 -15.198 5.230 -6.231 1.00 0.00 H new ATOM 0 HA TYR A 19 -13.879 4.030 -8.434 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -14.834 2.445 -7.194 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -16.081 3.512 -6.579 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -15.161 1.332 -9.415 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -18.274 3.496 -7.492 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -16.815 0.229 -10.856 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -19.928 2.388 -8.913 1.00 0.00 H new ATOM 0 HH TYR A 19 -20.297 0.966 -10.542 1.00 0.00 H new ATOM 278 N ASP A 20 -16.465 5.847 -9.139 1.00 0.00 N ATOM 279 CA ASP A 20 -17.178 6.617 -10.189 1.00 0.00 C ATOM 280 C ASP A 20 -16.201 7.273 -11.182 1.00 0.00 C ATOM 281 O ASP A 20 -16.517 7.445 -12.367 1.00 0.00 O ATOM 282 CB ASP A 20 -18.017 7.707 -9.499 1.00 0.00 C ATOM 283 CG ASP A 20 -18.721 8.663 -10.427 1.00 0.00 C ATOM 284 OD1 ASP A 20 -18.125 9.702 -10.796 1.00 0.00 O ATOM 285 OD2 ASP A 20 -19.903 8.440 -10.747 1.00 0.00 O ATOM 0 H ASP A 20 -16.770 6.092 -8.197 1.00 0.00 H new ATOM 0 HA ASP A 20 -17.810 5.934 -10.756 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -18.763 7.223 -8.868 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -17.366 8.280 -8.839 1.00 0.00 H new ATOM 290 N ALA A 21 -15.011 7.612 -10.700 1.00 0.00 N ATOM 291 CA ALA A 21 -13.997 8.250 -11.522 1.00 0.00 C ATOM 292 C ALA A 21 -13.406 7.288 -12.559 1.00 0.00 C ATOM 293 O ALA A 21 -12.865 7.732 -13.566 1.00 0.00 O ATOM 294 CB ALA A 21 -12.899 8.852 -10.659 1.00 0.00 C ATOM 0 H ALA A 21 -14.726 7.452 -9.734 1.00 0.00 H new ATOM 0 HA ALA A 21 -14.488 9.054 -12.070 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -12.152 9.324 -11.297 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -13.329 9.598 -9.991 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -12.428 8.066 -10.069 1.00 0.00 H new ATOM 300 N GLY A 22 -13.493 5.982 -12.309 1.00 0.00 N ATOM 301 CA GLY A 22 -13.017 5.032 -13.299 1.00 0.00 C ATOM 302 C GLY A 22 -12.593 3.702 -12.717 1.00 0.00 C ATOM 303 O GLY A 22 -12.037 2.867 -13.435 1.00 0.00 O ATOM 0 H GLY A 22 -13.876 5.572 -11.457 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -13.804 4.862 -14.033 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -12.173 5.470 -13.832 1.00 0.00 H new ATOM 307 N ALA A 23 -12.851 3.509 -11.406 1.00 0.00 N ATOM 308 CA ALA A 23 -12.502 2.277 -10.658 1.00 0.00 C ATOM 309 C ALA A 23 -11.002 2.005 -10.685 1.00 0.00 C ATOM 310 O ALA A 23 -10.559 0.894 -10.392 1.00 0.00 O ATOM 311 CB ALA A 23 -13.274 1.074 -11.203 1.00 0.00 C ATOM 0 H ALA A 23 -13.313 4.211 -10.828 1.00 0.00 H new ATOM 0 HA ALA A 23 -12.790 2.436 -9.619 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -13.002 0.182 -10.639 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -14.345 1.254 -11.104 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -13.026 0.929 -12.254 1.00 0.00 H new ATOM 317 N ILE A 24 -10.243 3.069 -10.911 1.00 0.00 N ATOM 318 CA ILE A 24 -8.814 3.007 -11.167 1.00 0.00 C ATOM 319 C ILE A 24 -8.052 2.335 -10.041 1.00 0.00 C ATOM 320 O ILE A 24 -7.534 1.232 -10.219 1.00 0.00 O ATOM 321 CB ILE A 24 -8.223 4.421 -11.424 1.00 0.00 C ATOM 322 CG1 ILE A 24 -9.062 5.179 -12.475 1.00 0.00 C ATOM 323 CG2 ILE A 24 -6.764 4.310 -11.881 1.00 0.00 C ATOM 324 CD1 ILE A 24 -8.621 6.615 -12.690 1.00 0.00 C ATOM 0 H ILE A 24 -10.614 4.019 -10.921 1.00 0.00 H new ATOM 0 HA ILE A 24 -8.694 2.400 -12.064 1.00 0.00 H new ATOM 0 HB ILE A 24 -8.255 4.984 -10.491 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -9.007 4.646 -13.424 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -10.107 5.172 -12.166 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -6.361 5.307 -12.058 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -6.177 3.814 -11.108 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -6.715 3.730 -12.803 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -9.257 7.082 -13.442 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -8.703 7.165 -11.753 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -7.586 6.631 -13.030 1.00 0.00 H new ATOM 336 N TYR A 25 -8.035 2.968 -8.891 1.00 0.00 N ATOM 337 CA TYR A 25 -7.263 2.490 -7.748 1.00 0.00 C ATOM 338 C TYR A 25 -7.514 3.378 -6.513 1.00 0.00 C ATOM 339 O TYR A 25 -7.825 4.559 -6.639 1.00 0.00 O ATOM 340 CB TYR A 25 -5.749 2.416 -8.120 1.00 0.00 C ATOM 341 CG TYR A 25 -4.893 3.411 -7.443 1.00 0.00 C ATOM 342 CD1 TYR A 25 -4.769 4.702 -7.919 1.00 0.00 C ATOM 343 CD2 TYR A 25 -4.244 3.064 -6.290 1.00 0.00 C ATOM 344 CE1 TYR A 25 -4.007 5.614 -7.252 1.00 0.00 C ATOM 345 CE2 TYR A 25 -3.497 3.957 -5.618 1.00 0.00 C ATOM 346 CZ TYR A 25 -3.368 5.237 -6.092 1.00 0.00 C ATOM 347 OH TYR A 25 -2.611 6.144 -5.403 1.00 0.00 O ATOM 0 H TYR A 25 -8.553 3.829 -8.713 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.590 1.483 -7.489 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -5.380 1.419 -7.882 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -5.648 2.545 -9.198 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -5.279 4.990 -8.826 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -4.333 2.056 -5.913 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -3.905 6.621 -7.629 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -2.999 3.666 -4.705 1.00 0.00 H new ATOM 0 HH TYR A 25 -2.231 5.716 -4.608 1.00 0.00 H new ATOM 357 N GLY A 26 -7.362 2.808 -5.346 1.00 0.00 N ATOM 358 CA GLY A 26 -7.591 3.496 -4.126 1.00 0.00 C ATOM 359 C GLY A 26 -6.385 3.406 -3.247 1.00 0.00 C ATOM 360 O GLY A 26 -5.641 2.430 -3.329 1.00 0.00 O ATOM 0 H GLY A 26 -7.071 1.838 -5.227 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -7.825 4.541 -4.328 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -8.454 3.069 -3.616 1.00 0.00 H new ATOM 364 N GLY A 27 -6.213 4.375 -2.384 1.00 0.00 N ATOM 365 CA GLY A 27 -5.029 4.443 -1.573 1.00 0.00 C ATOM 366 C GLY A 27 -5.382 4.492 -0.130 1.00 0.00 C ATOM 367 O GLY A 27 -5.494 5.567 0.456 1.00 0.00 O ATOM 0 H GLY A 27 -6.882 5.129 -2.226 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -4.398 3.576 -1.769 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.449 5.326 -1.841 1.00 0.00 H new ATOM 371 N LEU A 28 -5.576 3.345 0.439 1.00 0.00 N ATOM 372 CA LEU A 28 -5.960 3.235 1.792 1.00 0.00 C ATOM 373 C LEU A 28 -4.859 2.607 2.582 1.00 0.00 C ATOM 374 O LEU A 28 -4.053 1.844 2.058 1.00 0.00 O ATOM 375 CB LEU A 28 -7.352 2.514 2.002 1.00 0.00 C ATOM 376 CG LEU A 28 -7.627 1.073 1.421 1.00 0.00 C ATOM 377 CD1 LEU A 28 -7.565 1.011 -0.100 1.00 0.00 C ATOM 378 CD2 LEU A 28 -6.738 0.007 2.050 1.00 0.00 C ATOM 0 H LEU A 28 -5.468 2.450 -0.039 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.124 4.245 2.168 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.523 2.461 3.077 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -8.116 3.173 1.590 1.00 0.00 H new ATOM 0 HG LEU A 28 -8.656 0.850 1.701 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -7.763 -0.008 -0.431 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.313 1.682 -0.522 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.574 1.315 -0.436 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.970 -0.964 1.613 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.692 0.249 1.862 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.915 -0.027 3.125 1.00 0.00 H new ATOM 390 N ILE A 29 -4.793 2.958 3.803 1.00 0.00 N ATOM 391 CA ILE A 29 -3.813 2.404 4.671 1.00 0.00 C ATOM 392 C ILE A 29 -4.392 1.620 5.761 1.00 0.00 C ATOM 393 O ILE A 29 -5.495 1.899 6.224 1.00 0.00 O ATOM 394 CB ILE A 29 -2.777 3.391 5.166 1.00 0.00 C ATOM 395 CG1 ILE A 29 -3.398 4.770 5.471 1.00 0.00 C ATOM 396 CG2 ILE A 29 -1.686 3.445 4.150 1.00 0.00 C ATOM 397 CD1 ILE A 29 -2.424 5.782 6.037 1.00 0.00 C ATOM 0 H ILE A 29 -5.414 3.639 4.240 1.00 0.00 H new ATOM 0 HA ILE A 29 -3.262 1.710 4.037 1.00 0.00 H new ATOM 0 HB ILE A 29 -2.359 3.064 6.118 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -3.829 5.172 4.554 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.218 4.638 6.177 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -0.920 4.149 4.476 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.245 2.455 4.037 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -2.095 3.771 3.194 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.943 6.722 6.222 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.011 5.405 6.973 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -1.616 5.948 5.324 1.00 0.00 H new ATOM 409 N PHE A 30 -3.637 0.665 6.188 1.00 0.00 N ATOM 410 CA PHE A 30 -4.121 -0.330 7.140 1.00 0.00 C ATOM 411 C PHE A 30 -4.054 0.153 8.584 1.00 0.00 C ATOM 412 O PHE A 30 -3.127 -0.201 9.311 1.00 0.00 O ATOM 413 CB PHE A 30 -3.331 -1.647 7.040 1.00 0.00 C ATOM 414 CG PHE A 30 -3.174 -2.212 5.661 1.00 0.00 C ATOM 415 CD1 PHE A 30 -4.134 -3.048 5.107 1.00 0.00 C ATOM 416 CD2 PHE A 30 -2.040 -1.925 4.927 1.00 0.00 C ATOM 417 CE1 PHE A 30 -3.953 -3.574 3.837 1.00 0.00 C ATOM 418 CE2 PHE A 30 -1.855 -2.446 3.675 1.00 0.00 C ATOM 419 CZ PHE A 30 -2.807 -3.270 3.124 1.00 0.00 C ATOM 0 H PHE A 30 -2.667 0.535 5.900 1.00 0.00 H new ATOM 0 HA PHE A 30 -5.164 -0.498 6.870 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.339 -1.486 7.461 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -3.825 -2.393 7.663 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -5.025 -3.290 5.667 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -1.285 -1.278 5.349 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -4.704 -4.219 3.406 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -0.960 -2.209 3.119 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.661 -3.680 2.136 1.00 0.00 H new ATOM 429 N VAL A 31 -4.965 0.998 8.995 1.00 0.00 N ATOM 430 CA VAL A 31 -5.030 1.350 10.391 1.00 0.00 C ATOM 431 C VAL A 31 -6.389 0.938 10.913 1.00 0.00 C ATOM 432 O VAL A 31 -7.422 1.390 10.396 1.00 0.00 O ATOM 433 CB VAL A 31 -4.728 2.845 10.682 1.00 0.00 C ATOM 434 CG1 VAL A 31 -4.765 3.108 12.176 1.00 0.00 C ATOM 435 CG2 VAL A 31 -3.366 3.239 10.119 1.00 0.00 C ATOM 0 H VAL A 31 -5.659 1.447 8.398 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.239 0.814 10.915 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.494 3.449 10.195 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.552 4.160 12.366 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.753 2.863 12.564 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.017 2.491 12.673 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.174 4.290 10.334 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.591 2.627 10.580 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.359 3.082 9.040 1.00 0.00 H new ATOM 445 N ALA A 32 -6.361 0.062 11.913 1.00 0.00 N ATOM 446 CA ALA A 32 -7.518 -0.616 12.476 1.00 0.00 C ATOM 447 C ALA A 32 -8.692 0.296 12.789 1.00 0.00 C ATOM 448 O ALA A 32 -8.722 0.995 13.808 1.00 0.00 O ATOM 449 CB ALA A 32 -7.119 -1.441 13.688 1.00 0.00 C ATOM 0 H ALA A 32 -5.490 -0.205 12.372 1.00 0.00 H new ATOM 0 HA ALA A 32 -7.881 -1.281 11.692 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -7.999 -1.940 14.094 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -6.382 -2.188 13.393 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -6.690 -0.788 14.447 1.00 0.00 H new ATOM 455 N THR A 33 -9.615 0.304 11.856 1.00 0.00 N ATOM 456 CA THR A 33 -10.913 0.985 11.904 1.00 0.00 C ATOM 457 C THR A 33 -10.867 2.512 12.028 1.00 0.00 C ATOM 458 O THR A 33 -11.913 3.152 12.196 1.00 0.00 O ATOM 459 CB THR A 33 -11.894 0.352 12.931 1.00 0.00 C ATOM 460 OG1 THR A 33 -11.349 0.367 14.270 1.00 0.00 O ATOM 461 CG2 THR A 33 -12.190 -1.077 12.531 1.00 0.00 C ATOM 0 H THR A 33 -9.481 -0.196 10.977 1.00 0.00 H new ATOM 0 HA THR A 33 -11.313 0.809 10.906 1.00 0.00 H new ATOM 0 HB THR A 33 -12.808 0.945 12.929 1.00 0.00 H new ATOM 0 HG1 THR A 33 -10.441 0.736 14.250 1.00 0.00 H new ATOM 0 HG21 THR A 33 -12.878 -1.521 13.251 1.00 0.00 H new ATOM 0 HG22 THR A 33 -12.643 -1.091 11.540 1.00 0.00 H new ATOM 0 HG23 THR A 33 -11.263 -1.650 12.514 1.00 0.00 H new ATOM 469 N SER A 34 -9.697 3.098 11.882 1.00 0.00 N ATOM 470 CA SER A 34 -9.571 4.529 11.956 1.00 0.00 C ATOM 471 C SER A 34 -10.244 5.177 10.761 1.00 0.00 C ATOM 472 O SER A 34 -10.078 4.727 9.655 1.00 0.00 O ATOM 473 CB SER A 34 -8.117 4.910 12.084 1.00 0.00 C ATOM 474 OG SER A 34 -7.577 4.334 13.271 1.00 0.00 O ATOM 0 H SER A 34 -8.823 2.601 11.712 1.00 0.00 H new ATOM 0 HA SER A 34 -10.081 4.900 12.845 1.00 0.00 H new ATOM 0 HB2 SER A 34 -7.561 4.563 11.213 1.00 0.00 H new ATOM 0 HB3 SER A 34 -8.016 5.995 12.115 1.00 0.00 H new ATOM 0 HG SER A 34 -6.686 4.705 13.439 1.00 0.00 H new ATOM 480 N PRO A 35 -11.003 6.261 10.974 1.00 0.00 N ATOM 481 CA PRO A 35 -11.848 6.872 9.931 1.00 0.00 C ATOM 482 C PRO A 35 -11.093 7.488 8.751 1.00 0.00 C ATOM 483 O PRO A 35 -11.702 8.102 7.881 1.00 0.00 O ATOM 484 CB PRO A 35 -12.653 7.931 10.686 1.00 0.00 C ATOM 485 CG PRO A 35 -11.811 8.267 11.866 1.00 0.00 C ATOM 486 CD PRO A 35 -11.119 6.990 12.256 1.00 0.00 C ATOM 0 HA PRO A 35 -12.455 6.107 9.448 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -12.835 8.808 10.065 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -13.627 7.548 10.990 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -11.087 9.044 11.621 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -12.421 8.647 12.686 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -10.142 7.181 12.700 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -11.697 6.427 12.988 1.00 0.00 H new ATOM 494 N ARG A 36 -9.796 7.357 8.718 1.00 0.00 N ATOM 495 CA ARG A 36 -9.072 7.825 7.587 1.00 0.00 C ATOM 496 C ARG A 36 -8.221 6.682 7.010 1.00 0.00 C ATOM 497 O ARG A 36 -7.426 6.869 6.090 1.00 0.00 O ATOM 498 CB ARG A 36 -8.219 9.054 7.928 1.00 0.00 C ATOM 499 CG ARG A 36 -7.754 9.874 6.712 1.00 0.00 C ATOM 500 CD ARG A 36 -8.887 10.725 6.083 1.00 0.00 C ATOM 501 NE ARG A 36 -10.020 9.948 5.514 1.00 0.00 N ATOM 502 CZ ARG A 36 -11.113 10.492 4.947 1.00 0.00 C ATOM 503 NH1 ARG A 36 -11.206 11.796 4.802 1.00 0.00 N ATOM 504 NH2 ARG A 36 -12.103 9.717 4.516 1.00 0.00 N ATOM 0 H ARG A 36 -9.231 6.935 9.455 1.00 0.00 H new ATOM 0 HA ARG A 36 -9.783 8.147 6.826 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -8.792 9.704 8.589 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -7.341 8.726 8.485 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -6.939 10.532 7.015 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -7.354 9.198 5.957 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -9.277 11.401 6.844 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -8.460 11.344 5.294 1.00 0.00 H new ATOM 0 HE ARG A 36 -9.965 8.930 5.556 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -10.448 12.400 5.120 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -12.036 12.203 4.372 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -12.037 8.704 4.614 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -12.929 10.135 4.087 1.00 0.00 H new ATOM 518 N CYS A 37 -8.448 5.476 7.498 1.00 0.00 N ATOM 519 CA CYS A 37 -7.688 4.326 7.083 1.00 0.00 C ATOM 520 C CYS A 37 -8.618 3.115 6.972 1.00 0.00 C ATOM 521 O CYS A 37 -9.649 3.074 7.609 1.00 0.00 O ATOM 522 CB CYS A 37 -6.606 4.077 8.107 1.00 0.00 C ATOM 523 SG CYS A 37 -5.500 5.490 8.348 1.00 0.00 S ATOM 0 H CYS A 37 -9.166 5.273 8.193 1.00 0.00 H new ATOM 0 HA CYS A 37 -7.231 4.497 6.108 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -7.070 3.823 9.060 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -6.017 3.213 7.799 1.00 0.00 H new ATOM 0 HG CYS A 37 -5.058 5.491 9.571 1.00 0.00 H new ATOM 529 N VAL A 38 -8.277 2.160 6.158 1.00 0.00 N ATOM 530 CA VAL A 38 -9.096 1.007 5.992 1.00 0.00 C ATOM 531 C VAL A 38 -8.233 -0.229 5.984 1.00 0.00 C ATOM 532 O VAL A 38 -7.176 -0.267 5.383 1.00 0.00 O ATOM 533 CB VAL A 38 -10.007 1.147 4.710 1.00 0.00 C ATOM 534 CG1 VAL A 38 -10.207 -0.166 3.999 1.00 0.00 C ATOM 535 CG2 VAL A 38 -11.374 1.688 5.108 1.00 0.00 C ATOM 0 H VAL A 38 -7.426 2.162 5.595 1.00 0.00 H new ATOM 0 HA VAL A 38 -9.782 0.913 6.834 1.00 0.00 H new ATOM 0 HB VAL A 38 -9.495 1.830 4.032 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -10.840 -0.014 3.125 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -9.241 -0.559 3.683 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -10.685 -0.876 4.674 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -12.000 1.783 4.221 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -11.845 1.003 5.813 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -11.256 2.665 5.576 1.00 0.00 H new ATOM 545 N ASN A 39 -8.702 -1.212 6.666 1.00 0.00 N ATOM 546 CA ASN A 39 -8.029 -2.471 6.807 1.00 0.00 C ATOM 547 C ASN A 39 -8.870 -3.538 6.259 1.00 0.00 C ATOM 548 O ASN A 39 -10.002 -3.258 5.848 1.00 0.00 O ATOM 549 CB ASN A 39 -7.645 -2.736 8.266 1.00 0.00 C ATOM 550 CG ASN A 39 -8.768 -2.523 9.234 1.00 0.00 C ATOM 551 OD1 ASN A 39 -9.001 -1.422 9.704 1.00 0.00 O ATOM 552 ND2 ASN A 39 -9.426 -3.545 9.570 1.00 0.00 N ATOM 0 H ASN A 39 -9.593 -1.169 7.161 1.00 0.00 H new ATOM 0 HA ASN A 39 -7.097 -2.443 6.242 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -7.288 -3.762 8.358 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -6.815 -2.084 8.538 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -10.179 -3.465 10.254 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -9.206 -4.452 9.158 1.00 0.00 H new ATOM 559 N VAL A 40 -8.340 -4.764 6.270 1.00 0.00 N ATOM 560 CA VAL A 40 -8.992 -5.972 5.724 1.00 0.00 C ATOM 561 C VAL A 40 -10.485 -6.017 5.977 1.00 0.00 C ATOM 562 O VAL A 40 -11.262 -6.302 5.078 1.00 0.00 O ATOM 563 CB VAL A 40 -8.321 -7.253 6.288 1.00 0.00 C ATOM 564 CG1 VAL A 40 -9.079 -8.512 5.918 1.00 0.00 C ATOM 565 CG2 VAL A 40 -6.914 -7.345 5.781 1.00 0.00 C ATOM 0 H VAL A 40 -7.421 -4.956 6.668 1.00 0.00 H new ATOM 0 HA VAL A 40 -8.858 -5.927 4.643 1.00 0.00 H new ATOM 0 HB VAL A 40 -8.329 -7.176 7.375 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -8.569 -9.380 6.336 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -10.091 -8.458 6.318 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -9.123 -8.605 4.833 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -6.443 -8.245 6.177 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -6.922 -7.389 4.692 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -6.353 -6.469 6.105 1.00 0.00 H new ATOM 575 N GLU A 41 -10.852 -5.617 7.150 1.00 0.00 N ATOM 576 CA GLU A 41 -12.201 -5.675 7.616 1.00 0.00 C ATOM 577 C GLU A 41 -13.119 -4.774 6.794 1.00 0.00 C ATOM 578 O GLU A 41 -14.059 -5.242 6.150 1.00 0.00 O ATOM 579 CB GLU A 41 -12.193 -5.226 9.032 1.00 0.00 C ATOM 580 CG GLU A 41 -11.399 -6.109 9.947 1.00 0.00 C ATOM 581 CD GLU A 41 -11.333 -5.574 11.345 1.00 0.00 C ATOM 582 OE1 GLU A 41 -11.172 -4.351 11.519 1.00 0.00 O ATOM 583 OE2 GLU A 41 -11.434 -6.374 12.294 1.00 0.00 O ATOM 0 H GLU A 41 -10.202 -5.228 7.833 1.00 0.00 H new ATOM 0 HA GLU A 41 -12.581 -6.692 7.520 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -11.790 -4.215 9.079 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -13.220 -5.177 9.393 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -11.844 -7.104 9.963 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -10.388 -6.218 9.555 1.00 0.00 H new ATOM 590 N GLN A 42 -12.803 -3.498 6.775 1.00 0.00 N ATOM 591 CA GLN A 42 -13.617 -2.515 6.094 1.00 0.00 C ATOM 592 C GLN A 42 -13.432 -2.633 4.606 1.00 0.00 C ATOM 593 O GLN A 42 -14.360 -2.441 3.841 1.00 0.00 O ATOM 594 CB GLN A 42 -13.196 -1.155 6.547 1.00 0.00 C ATOM 595 CG GLN A 42 -13.388 -0.923 8.013 1.00 0.00 C ATOM 596 CD GLN A 42 -12.488 0.126 8.493 1.00 0.00 C ATOM 597 OE1 GLN A 42 -11.334 -0.281 8.893 1.00 0.00 O flip ATOM 598 NE2 GLN A 42 -12.814 1.301 8.507 1.00 0.00 N flip ATOM 0 H GLN A 42 -11.976 -3.113 7.230 1.00 0.00 H new ATOM 0 HA GLN A 42 -14.669 -2.681 6.328 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -12.145 -1.009 6.300 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -13.761 -0.406 5.992 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -14.422 -0.640 8.209 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -13.202 -1.847 8.560 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -13.740 1.577 8.180 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -12.161 2.007 8.846 1.00 0.00 H new ATOM 607 N ALA A 43 -12.224 -2.987 4.201 1.00 0.00 N ATOM 608 CA ALA A 43 -11.902 -3.121 2.801 1.00 0.00 C ATOM 609 C ALA A 43 -12.686 -4.252 2.166 1.00 0.00 C ATOM 610 O ALA A 43 -13.067 -4.171 1.004 1.00 0.00 O ATOM 611 CB ALA A 43 -10.419 -3.313 2.596 1.00 0.00 C ATOM 0 H ALA A 43 -11.448 -3.187 4.832 1.00 0.00 H new ATOM 0 HA ALA A 43 -12.190 -2.193 2.307 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -10.209 -3.411 1.531 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -9.882 -2.452 2.994 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -10.094 -4.215 3.114 1.00 0.00 H new ATOM 617 N GLN A 44 -12.971 -5.276 2.963 1.00 0.00 N ATOM 618 CA GLN A 44 -13.717 -6.434 2.514 1.00 0.00 C ATOM 619 C GLN A 44 -15.124 -5.985 2.107 1.00 0.00 C ATOM 620 O GLN A 44 -15.705 -6.483 1.146 1.00 0.00 O ATOM 621 CB GLN A 44 -13.842 -7.442 3.660 1.00 0.00 C ATOM 622 CG GLN A 44 -13.747 -8.895 3.247 1.00 0.00 C ATOM 623 CD GLN A 44 -12.346 -9.461 3.468 1.00 0.00 C ATOM 624 OE1 GLN A 44 -11.331 -8.628 3.409 1.00 0.00 O flip ATOM 625 NE2 GLN A 44 -12.182 -10.645 3.709 1.00 0.00 N flip ATOM 0 H GLN A 44 -12.688 -5.321 3.942 1.00 0.00 H new ATOM 0 HA GLN A 44 -13.201 -6.895 1.672 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -13.061 -7.236 4.392 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -14.797 -7.284 4.160 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -14.469 -9.482 3.815 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -14.015 -8.991 2.195 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -12.985 -11.273 3.750 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -11.242 -11.007 3.870 1.00 0.00 H new ATOM 634 N GLU A 45 -15.631 -5.017 2.837 1.00 0.00 N ATOM 635 CA GLU A 45 -16.958 -4.483 2.638 1.00 0.00 C ATOM 636 C GLU A 45 -16.969 -3.389 1.581 1.00 0.00 C ATOM 637 O GLU A 45 -17.828 -3.379 0.700 1.00 0.00 O ATOM 638 CB GLU A 45 -17.478 -3.928 3.957 1.00 0.00 C ATOM 639 CG GLU A 45 -17.610 -4.970 5.048 1.00 0.00 C ATOM 640 CD GLU A 45 -18.672 -5.987 4.735 1.00 0.00 C ATOM 641 OE1 GLU A 45 -18.434 -6.899 3.928 1.00 0.00 O ATOM 642 OE2 GLU A 45 -19.777 -5.877 5.285 1.00 0.00 O ATOM 0 H GLU A 45 -15.122 -4.571 3.600 1.00 0.00 H new ATOM 0 HA GLU A 45 -17.602 -5.290 2.288 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -16.807 -3.140 4.299 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -18.451 -3.467 3.788 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -16.654 -5.475 5.183 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -17.847 -4.478 5.991 1.00 0.00 H new ATOM 649 N VAL A 46 -16.002 -2.487 1.656 1.00 0.00 N ATOM 650 CA VAL A 46 -15.936 -1.340 0.757 1.00 0.00 C ATOM 651 C VAL A 46 -15.706 -1.795 -0.698 1.00 0.00 C ATOM 652 O VAL A 46 -16.210 -1.175 -1.635 1.00 0.00 O ATOM 653 CB VAL A 46 -14.850 -0.296 1.214 1.00 0.00 C ATOM 654 CG1 VAL A 46 -13.438 -0.735 0.887 1.00 0.00 C ATOM 655 CG2 VAL A 46 -15.137 1.089 0.664 1.00 0.00 C ATOM 0 H VAL A 46 -15.244 -2.527 2.337 1.00 0.00 H new ATOM 0 HA VAL A 46 -16.900 -0.832 0.802 1.00 0.00 H new ATOM 0 HB VAL A 46 -14.917 -0.245 2.301 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -12.733 0.024 1.226 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -13.225 -1.678 1.390 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -13.339 -0.868 -0.190 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -14.366 1.781 1.001 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -15.142 1.054 -0.425 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -16.110 1.428 1.021 1.00 0.00 H new ATOM 665 N MET A 47 -15.004 -2.925 -0.878 1.00 0.00 N ATOM 666 CA MET A 47 -14.753 -3.451 -2.219 1.00 0.00 C ATOM 667 C MET A 47 -16.039 -3.972 -2.841 1.00 0.00 C ATOM 668 O MET A 47 -16.157 -4.061 -4.053 1.00 0.00 O ATOM 669 CB MET A 47 -13.679 -4.556 -2.226 1.00 0.00 C ATOM 670 CG MET A 47 -14.071 -5.881 -1.580 1.00 0.00 C ATOM 671 SD MET A 47 -12.768 -7.135 -1.713 1.00 0.00 S ATOM 672 CE MET A 47 -13.552 -8.509 -0.876 1.00 0.00 C ATOM 0 H MET A 47 -14.607 -3.481 -0.121 1.00 0.00 H new ATOM 0 HA MET A 47 -14.373 -2.622 -2.816 1.00 0.00 H new ATOM 0 HB2 MET A 47 -13.394 -4.750 -3.260 1.00 0.00 H new ATOM 0 HB3 MET A 47 -12.793 -4.176 -1.717 1.00 0.00 H new ATOM 0 HG2 MET A 47 -14.303 -5.713 -0.528 1.00 0.00 H new ATOM 0 HG3 MET A 47 -14.980 -6.256 -2.051 1.00 0.00 H new ATOM 0 HE1 MET A 47 -12.831 -8.993 -0.218 1.00 0.00 H new ATOM 0 HE2 MET A 47 -14.393 -8.144 -0.287 1.00 0.00 H new ATOM 0 HE3 MET A 47 -13.910 -9.228 -1.613 1.00 0.00 H new ATOM 682 N ALA A 48 -17.016 -4.284 -1.999 1.00 0.00 N ATOM 683 CA ALA A 48 -18.293 -4.787 -2.464 1.00 0.00 C ATOM 684 C ALA A 48 -19.197 -3.628 -2.852 1.00 0.00 C ATOM 685 O ALA A 48 -20.257 -3.818 -3.436 1.00 0.00 O ATOM 686 CB ALA A 48 -18.952 -5.648 -1.392 1.00 0.00 C ATOM 0 H ALA A 48 -16.943 -4.195 -0.985 1.00 0.00 H new ATOM 0 HA ALA A 48 -18.126 -5.410 -3.343 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -19.910 -6.017 -1.759 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -18.305 -6.492 -1.155 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -19.113 -5.051 -0.494 1.00 0.00 H new ATOM 692 N ALA A 49 -18.764 -2.431 -2.530 1.00 0.00 N ATOM 693 CA ALA A 49 -19.509 -1.243 -2.843 1.00 0.00 C ATOM 694 C ALA A 49 -18.883 -0.526 -4.025 1.00 0.00 C ATOM 695 O ALA A 49 -19.575 -0.146 -4.975 1.00 0.00 O ATOM 696 CB ALA A 49 -19.572 -0.327 -1.639 1.00 0.00 C ATOM 0 H ALA A 49 -17.884 -2.258 -2.043 1.00 0.00 H new ATOM 0 HA ALA A 49 -20.526 -1.530 -3.111 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -20.140 0.568 -1.892 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -20.060 -0.845 -0.813 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -18.562 -0.044 -1.344 1.00 0.00 H new ATOM 702 N ALA A 50 -17.574 -0.379 -3.999 1.00 0.00 N ATOM 703 CA ALA A 50 -16.888 0.302 -5.008 1.00 0.00 C ATOM 704 C ALA A 50 -15.764 -0.587 -5.442 1.00 0.00 C ATOM 705 O ALA A 50 -14.758 -0.690 -4.747 1.00 0.00 O ATOM 706 CB ALA A 50 -16.367 1.629 -4.475 1.00 0.00 C ATOM 0 H ALA A 50 -16.976 -0.743 -3.257 1.00 0.00 H new ATOM 0 HA ALA A 50 -17.538 0.528 -5.853 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -15.833 2.155 -5.267 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -17.204 2.239 -4.135 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -15.690 1.445 -3.641 1.00 0.00 H new ATOM 712 N PRO A 51 -15.941 -1.312 -6.547 1.00 0.00 N ATOM 713 CA PRO A 51 -14.927 -2.206 -7.049 1.00 0.00 C ATOM 714 C PRO A 51 -13.787 -1.461 -7.728 1.00 0.00 C ATOM 715 O PRO A 51 -13.634 -1.465 -8.949 1.00 0.00 O ATOM 716 CB PRO A 51 -15.656 -3.142 -8.009 1.00 0.00 C ATOM 717 CG PRO A 51 -16.991 -2.520 -8.275 1.00 0.00 C ATOM 718 CD PRO A 51 -17.148 -1.321 -7.376 1.00 0.00 C ATOM 0 HA PRO A 51 -14.447 -2.758 -6.241 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -15.093 -3.264 -8.934 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -15.770 -4.134 -7.572 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -17.068 -2.222 -9.321 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -17.788 -3.240 -8.089 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -17.237 -0.402 -7.955 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -18.047 -1.400 -6.765 1.00 0.00 H new ATOM 726 N LEU A 52 -13.070 -0.745 -6.921 1.00 0.00 N ATOM 727 CA LEU A 52 -11.879 -0.054 -7.323 1.00 0.00 C ATOM 728 C LEU A 52 -10.668 -0.859 -6.852 1.00 0.00 C ATOM 729 O LEU A 52 -10.825 -1.796 -6.073 1.00 0.00 O ATOM 730 CB LEU A 52 -11.902 1.419 -6.795 1.00 0.00 C ATOM 731 CG LEU A 52 -12.546 1.640 -5.403 1.00 0.00 C ATOM 732 CD1 LEU A 52 -11.685 1.105 -4.267 1.00 0.00 C ATOM 733 CD2 LEU A 52 -12.938 3.097 -5.179 1.00 0.00 C ATOM 0 H LEU A 52 -13.301 -0.619 -5.935 1.00 0.00 H new ATOM 0 HA LEU A 52 -11.817 0.025 -8.408 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -10.876 1.786 -6.759 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -12.435 2.034 -7.520 1.00 0.00 H new ATOM 0 HG LEU A 52 -13.465 1.054 -5.396 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -12.184 1.287 -3.315 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -11.534 0.034 -4.399 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -10.720 1.611 -4.273 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -13.385 3.206 -4.191 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -12.051 3.727 -5.247 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -13.658 3.401 -5.939 1.00 0.00 H new ATOM 745 N GLN A 53 -9.503 -0.553 -7.356 1.00 0.00 N ATOM 746 CA GLN A 53 -8.296 -1.266 -6.976 1.00 0.00 C ATOM 747 C GLN A 53 -7.792 -0.799 -5.598 1.00 0.00 C ATOM 748 O GLN A 53 -8.169 0.262 -5.135 1.00 0.00 O ATOM 749 CB GLN A 53 -7.251 -1.080 -8.070 1.00 0.00 C ATOM 750 CG GLN A 53 -6.692 -2.384 -8.574 1.00 0.00 C ATOM 751 CD GLN A 53 -5.738 -3.029 -7.596 1.00 0.00 C ATOM 752 OE1 GLN A 53 -4.911 -2.232 -6.968 1.00 0.00 O flip ATOM 753 NE2 GLN A 53 -5.678 -4.240 -7.477 1.00 0.00 N flip ATOM 0 H GLN A 53 -9.355 0.191 -8.038 1.00 0.00 H new ATOM 0 HA GLN A 53 -8.507 -2.331 -6.878 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -7.697 -0.536 -8.902 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -6.437 -0.465 -7.687 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.513 -3.071 -8.780 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -6.176 -2.212 -9.518 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -6.337 -4.835 -7.979 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -4.969 -4.659 -6.875 1.00 0.00 H new ATOM 762 N TYR A 54 -6.943 -1.589 -4.954 1.00 0.00 N ATOM 763 CA TYR A 54 -6.478 -1.294 -3.611 1.00 0.00 C ATOM 764 C TYR A 54 -4.956 -1.413 -3.569 1.00 0.00 C ATOM 765 O TYR A 54 -4.365 -2.300 -4.225 1.00 0.00 O ATOM 766 CB TYR A 54 -7.035 -2.332 -2.626 1.00 0.00 C ATOM 767 CG TYR A 54 -8.268 -3.085 -3.086 1.00 0.00 C ATOM 768 CD1 TYR A 54 -9.546 -2.592 -2.881 1.00 0.00 C ATOM 769 CD2 TYR A 54 -8.131 -4.307 -3.740 1.00 0.00 C ATOM 770 CE1 TYR A 54 -10.650 -3.298 -3.319 1.00 0.00 C ATOM 771 CE2 TYR A 54 -9.222 -5.011 -4.176 1.00 0.00 C ATOM 772 CZ TYR A 54 -10.477 -4.510 -3.967 1.00 0.00 C ATOM 773 OH TYR A 54 -11.574 -5.220 -4.417 1.00 0.00 O ATOM 0 H TYR A 54 -6.560 -2.448 -5.348 1.00 0.00 H new ATOM 0 HA TYR A 54 -6.807 -0.290 -3.342 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -6.250 -3.057 -2.409 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -7.270 -1.826 -1.689 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -9.681 -1.648 -2.374 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -7.142 -4.708 -3.907 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -11.643 -2.907 -3.157 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -9.092 -5.956 -4.682 1.00 0.00 H new ATOM 0 HH TYR A 54 -11.274 -6.047 -4.849 1.00 0.00 H new ATOM 783 N VAL A 55 -4.334 -0.562 -2.813 1.00 0.00 N ATOM 784 CA VAL A 55 -2.912 -0.608 -2.615 1.00 0.00 C ATOM 785 C VAL A 55 -2.669 -0.459 -1.124 1.00 0.00 C ATOM 786 O VAL A 55 -3.540 0.054 -0.418 1.00 0.00 O ATOM 787 CB VAL A 55 -2.168 0.515 -3.410 1.00 0.00 C ATOM 788 CG1 VAL A 55 -2.483 1.895 -2.868 1.00 0.00 C ATOM 789 CG2 VAL A 55 -0.669 0.268 -3.454 1.00 0.00 C ATOM 0 H VAL A 55 -4.800 0.193 -2.310 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.517 -1.553 -2.989 1.00 0.00 H new ATOM 0 HB VAL A 55 -2.539 0.478 -4.434 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -1.946 2.645 -3.448 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -3.555 2.079 -2.941 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -2.175 1.955 -1.824 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.185 1.068 -4.014 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.274 0.246 -2.438 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.472 -0.687 -3.941 1.00 0.00 H new ATOM 799 N GLY A 56 -1.551 -0.930 -0.651 1.00 0.00 N ATOM 800 CA GLY A 56 -1.251 -0.813 0.747 1.00 0.00 C ATOM 801 C GLY A 56 0.071 -0.170 1.002 1.00 0.00 C ATOM 802 O GLY A 56 1.047 -0.460 0.337 1.00 0.00 O ATOM 0 H GLY A 56 -0.836 -1.396 -1.209 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.033 -0.231 1.234 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.262 -1.804 1.201 1.00 0.00 H new ATOM 806 N VAL A 57 0.091 0.712 1.946 1.00 0.00 N ATOM 807 CA VAL A 57 1.300 1.363 2.394 1.00 0.00 C ATOM 808 C VAL A 57 1.365 1.087 3.869 1.00 0.00 C ATOM 809 O VAL A 57 0.368 1.298 4.564 1.00 0.00 O ATOM 810 CB VAL A 57 1.250 2.909 2.173 1.00 0.00 C ATOM 811 CG1 VAL A 57 2.568 3.567 2.576 1.00 0.00 C ATOM 812 CG2 VAL A 57 0.885 3.260 0.735 1.00 0.00 C ATOM 0 H VAL A 57 -0.746 1.014 2.445 1.00 0.00 H new ATOM 0 HA VAL A 57 2.162 0.992 1.840 1.00 0.00 H new ATOM 0 HB VAL A 57 0.464 3.303 2.818 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.503 4.642 2.411 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.764 3.373 3.630 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.379 3.156 1.974 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.860 4.344 0.620 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.629 2.840 0.058 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.096 2.847 0.497 1.00 0.00 H new ATOM 822 N PHE A 58 2.471 0.589 4.359 1.00 0.00 N ATOM 823 CA PHE A 58 2.537 0.243 5.769 1.00 0.00 C ATOM 824 C PHE A 58 3.960 -0.110 6.129 1.00 0.00 C ATOM 825 O PHE A 58 4.787 -0.350 5.253 1.00 0.00 O ATOM 826 CB PHE A 58 1.590 -0.964 6.049 1.00 0.00 C ATOM 827 CG PHE A 58 1.242 -1.216 7.498 1.00 0.00 C ATOM 828 CD1 PHE A 58 0.303 -0.431 8.140 1.00 0.00 C ATOM 829 CD2 PHE A 58 1.841 -2.241 8.206 1.00 0.00 C ATOM 830 CE1 PHE A 58 -0.028 -0.664 9.460 1.00 0.00 C ATOM 831 CE2 PHE A 58 1.513 -2.480 9.523 1.00 0.00 C ATOM 832 CZ PHE A 58 0.577 -1.690 10.152 1.00 0.00 C ATOM 0 H PHE A 58 3.322 0.414 3.825 1.00 0.00 H new ATOM 0 HA PHE A 58 2.218 1.090 6.377 1.00 0.00 H new ATOM 0 HB2 PHE A 58 0.664 -0.808 5.496 1.00 0.00 H new ATOM 0 HB3 PHE A 58 2.054 -1.864 5.646 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -0.177 0.374 7.603 1.00 0.00 H new ATOM 0 HD2 PHE A 58 2.577 -2.864 7.720 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -0.762 -0.041 9.950 1.00 0.00 H new ATOM 0 HE2 PHE A 58 1.990 -3.286 10.061 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.318 -1.874 11.184 1.00 0.00 H new ATOM 842 N ARG A 59 4.257 -0.090 7.395 1.00 0.00 N ATOM 843 CA ARG A 59 5.535 -0.511 7.864 1.00 0.00 C ATOM 844 C ARG A 59 5.370 -1.967 8.296 1.00 0.00 C ATOM 845 O ARG A 59 4.947 -2.252 9.422 1.00 0.00 O ATOM 846 CB ARG A 59 5.932 0.392 9.038 1.00 0.00 C ATOM 847 CG ARG A 59 7.315 0.198 9.610 1.00 0.00 C ATOM 848 CD ARG A 59 7.534 1.163 10.768 1.00 0.00 C ATOM 849 NE ARG A 59 8.887 1.103 11.338 1.00 0.00 N ATOM 850 CZ ARG A 59 9.463 2.108 12.022 1.00 0.00 C ATOM 851 NH1 ARG A 59 8.764 3.206 12.321 1.00 0.00 N ATOM 852 NH2 ARG A 59 10.718 1.988 12.437 1.00 0.00 N ATOM 0 H ARG A 59 3.618 0.219 8.127 1.00 0.00 H new ATOM 0 HA ARG A 59 6.318 -0.439 7.109 1.00 0.00 H new ATOM 0 HB2 ARG A 59 5.841 1.429 8.715 1.00 0.00 H new ATOM 0 HB3 ARG A 59 5.209 0.243 9.840 1.00 0.00 H new ATOM 0 HG2 ARG A 59 7.436 -0.830 9.953 1.00 0.00 H new ATOM 0 HG3 ARG A 59 8.065 0.366 8.837 1.00 0.00 H new ATOM 0 HD2 ARG A 59 7.338 2.179 10.425 1.00 0.00 H new ATOM 0 HD3 ARG A 59 6.809 0.946 11.552 1.00 0.00 H new ATOM 0 HE ARG A 59 9.423 0.245 11.207 1.00 0.00 H new ATOM 0 HH11 ARG A 59 7.789 3.285 12.031 1.00 0.00 H new ATOM 0 HH12 ARG A 59 9.205 3.966 12.840 1.00 0.00 H new ATOM 0 HH21 ARG A 59 11.242 1.136 12.237 1.00 0.00 H new ATOM 0 HH22 ARG A 59 11.158 2.748 12.956 1.00 0.00 H new ATOM 866 N ASN A 60 5.636 -2.866 7.376 1.00 0.00 N ATOM 867 CA ASN A 60 5.448 -4.264 7.572 1.00 0.00 C ATOM 868 C ASN A 60 6.763 -4.886 7.820 1.00 0.00 C ATOM 869 O ASN A 60 7.717 -4.700 7.071 1.00 0.00 O ATOM 870 CB ASN A 60 4.785 -4.958 6.374 1.00 0.00 C ATOM 871 CG ASN A 60 3.406 -4.432 6.007 1.00 0.00 C ATOM 872 OD1 ASN A 60 3.278 -3.523 5.204 1.00 0.00 O ATOM 873 ND2 ASN A 60 2.358 -4.997 6.578 1.00 0.00 N ATOM 0 H ASN A 60 5.997 -2.628 6.452 1.00 0.00 H new ATOM 0 HA ASN A 60 4.777 -4.387 8.423 1.00 0.00 H new ATOM 0 HB2 ASN A 60 5.438 -4.856 5.507 1.00 0.00 H new ATOM 0 HB3 ASN A 60 4.705 -6.024 6.589 1.00 0.00 H new ATOM 0 HD21 ASN A 60 1.417 -4.675 6.350 1.00 0.00 H new ATOM 0 HD22 ASN A 60 2.489 -5.756 7.247 1.00 0.00 H new ATOM 880 N HIS A 61 6.821 -5.533 8.875 1.00 0.00 N ATOM 881 CA HIS A 61 7.992 -6.244 9.315 1.00 0.00 C ATOM 882 C HIS A 61 7.896 -7.687 8.866 1.00 0.00 C ATOM 883 O HIS A 61 8.834 -8.236 8.293 1.00 0.00 O ATOM 884 CB HIS A 61 8.121 -6.140 10.845 1.00 0.00 C ATOM 885 CG HIS A 61 8.165 -4.715 11.312 1.00 0.00 C ATOM 886 ND1 HIS A 61 9.196 -3.849 11.357 1.00 0.00 N flip ATOM 887 CD2 HIS A 61 7.054 -3.999 11.703 1.00 0.00 C flip ATOM 888 CE1 HIS A 61 8.728 -2.602 11.757 1.00 0.00 C flip ATOM 889 NE2 HIS A 61 7.431 -2.750 11.952 1.00 0.00 N flip ATOM 0 H HIS A 61 6.034 -5.612 9.519 1.00 0.00 H new ATOM 0 HA HIS A 61 8.886 -5.803 8.874 1.00 0.00 H new ATOM 0 HB2 HIS A 61 7.279 -6.649 11.315 1.00 0.00 H new ATOM 0 HB3 HIS A 61 9.026 -6.655 11.168 1.00 0.00 H new ATOM 0 HD2 HIS A 61 6.050 -4.387 11.792 1.00 0.00 H new ATOM 0 HE1 HIS A 61 9.307 -1.699 11.882 1.00 0.00 H new ATOM 0 HE2 HIS A 61 6.803 -2.005 12.253 1.00 0.00 H new ATOM 897 N ASP A 62 6.740 -8.281 9.072 1.00 0.00 N ATOM 898 CA ASP A 62 6.514 -9.660 8.672 1.00 0.00 C ATOM 899 C ASP A 62 6.179 -9.751 7.223 1.00 0.00 C ATOM 900 O ASP A 62 5.222 -9.130 6.763 1.00 0.00 O ATOM 901 CB ASP A 62 5.387 -10.341 9.461 1.00 0.00 C ATOM 902 CG ASP A 62 5.797 -10.863 10.797 1.00 0.00 C ATOM 903 OD1 ASP A 62 6.463 -11.920 10.849 1.00 0.00 O ATOM 904 OD2 ASP A 62 5.429 -10.255 11.825 1.00 0.00 O ATOM 0 H ASP A 62 5.938 -7.832 9.515 1.00 0.00 H new ATOM 0 HA ASP A 62 7.450 -10.177 8.885 1.00 0.00 H new ATOM 0 HB2 ASP A 62 4.574 -9.628 9.597 1.00 0.00 H new ATOM 0 HB3 ASP A 62 4.992 -11.166 8.868 1.00 0.00 H new ATOM 909 N ILE A 63 6.935 -10.543 6.500 1.00 0.00 N ATOM 910 CA ILE A 63 6.644 -10.782 5.105 1.00 0.00 C ATOM 911 C ILE A 63 5.301 -11.511 4.959 1.00 0.00 C ATOM 912 O ILE A 63 4.514 -11.217 4.061 1.00 0.00 O ATOM 913 CB ILE A 63 7.800 -11.538 4.377 1.00 0.00 C ATOM 914 CG1 ILE A 63 7.399 -11.866 2.954 1.00 0.00 C ATOM 915 CG2 ILE A 63 8.209 -12.801 5.118 1.00 0.00 C ATOM 916 CD1 ILE A 63 8.551 -12.215 2.055 1.00 0.00 C ATOM 0 H ILE A 63 7.756 -11.033 6.854 1.00 0.00 H new ATOM 0 HA ILE A 63 6.562 -9.813 4.612 1.00 0.00 H new ATOM 0 HB ILE A 63 8.666 -10.876 4.361 1.00 0.00 H new ATOM 0 HG12 ILE A 63 6.698 -12.701 2.969 1.00 0.00 H new ATOM 0 HG13 ILE A 63 6.869 -11.012 2.532 1.00 0.00 H new ATOM 0 HG21 ILE A 63 9.016 -13.295 4.577 1.00 0.00 H new ATOM 0 HG22 ILE A 63 8.551 -12.541 6.120 1.00 0.00 H new ATOM 0 HG23 ILE A 63 7.354 -13.474 5.189 1.00 0.00 H new ATOM 0 HD11 ILE A 63 8.178 -12.436 1.055 1.00 0.00 H new ATOM 0 HD12 ILE A 63 9.242 -11.374 2.006 1.00 0.00 H new ATOM 0 HD13 ILE A 63 9.069 -13.088 2.450 1.00 0.00 H new ATOM 928 N ALA A 64 5.001 -12.372 5.925 1.00 0.00 N ATOM 929 CA ALA A 64 3.754 -13.125 5.942 1.00 0.00 C ATOM 930 C ALA A 64 2.571 -12.201 6.201 1.00 0.00 C ATOM 931 O ALA A 64 1.442 -12.515 5.865 1.00 0.00 O ATOM 932 CB ALA A 64 3.807 -14.213 7.002 1.00 0.00 C ATOM 0 H ALA A 64 5.614 -12.567 6.716 1.00 0.00 H new ATOM 0 HA ALA A 64 3.624 -13.590 4.965 1.00 0.00 H new ATOM 0 HB1 ALA A 64 2.868 -14.767 7.002 1.00 0.00 H new ATOM 0 HB2 ALA A 64 4.630 -14.894 6.784 1.00 0.00 H new ATOM 0 HB3 ALA A 64 3.961 -13.760 7.981 1.00 0.00 H new ATOM 938 N ASP A 65 2.861 -11.041 6.754 1.00 0.00 N ATOM 939 CA ASP A 65 1.842 -10.053 7.098 1.00 0.00 C ATOM 940 C ASP A 65 1.449 -9.303 5.855 1.00 0.00 C ATOM 941 O ASP A 65 0.274 -8.987 5.641 1.00 0.00 O ATOM 942 CB ASP A 65 2.374 -9.104 8.174 1.00 0.00 C ATOM 943 CG ASP A 65 1.454 -7.955 8.503 1.00 0.00 C ATOM 944 OD1 ASP A 65 0.247 -8.173 8.730 1.00 0.00 O ATOM 945 OD2 ASP A 65 1.930 -6.807 8.564 1.00 0.00 O ATOM 0 H ASP A 65 3.812 -10.750 6.981 1.00 0.00 H new ATOM 0 HA ASP A 65 0.960 -10.551 7.502 1.00 0.00 H new ATOM 0 HB2 ASP A 65 2.562 -9.675 9.083 1.00 0.00 H new ATOM 0 HB3 ASP A 65 3.333 -8.703 7.845 1.00 0.00 H new ATOM 950 N VAL A 66 2.437 -9.066 5.015 1.00 0.00 N ATOM 951 CA VAL A 66 2.221 -8.439 3.731 1.00 0.00 C ATOM 952 C VAL A 66 1.424 -9.391 2.858 1.00 0.00 C ATOM 953 O VAL A 66 0.396 -9.016 2.290 1.00 0.00 O ATOM 954 CB VAL A 66 3.559 -8.123 3.019 1.00 0.00 C ATOM 955 CG1 VAL A 66 3.320 -7.403 1.701 1.00 0.00 C ATOM 956 CG2 VAL A 66 4.469 -7.310 3.911 1.00 0.00 C ATOM 0 H VAL A 66 3.411 -9.303 5.205 1.00 0.00 H new ATOM 0 HA VAL A 66 1.687 -7.502 3.891 1.00 0.00 H new ATOM 0 HB VAL A 66 4.052 -9.071 2.804 1.00 0.00 H new ATOM 0 HG11 VAL A 66 4.277 -7.193 1.222 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.717 -8.033 1.047 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.795 -6.466 1.888 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.402 -7.102 3.387 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.981 -6.370 4.169 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.682 -7.871 4.821 1.00 0.00 H new ATOM 966 N VAL A 67 1.876 -10.652 2.818 1.00 0.00 N ATOM 967 CA VAL A 67 1.234 -11.689 2.001 1.00 0.00 C ATOM 968 C VAL A 67 -0.212 -11.881 2.438 1.00 0.00 C ATOM 969 O VAL A 67 -1.102 -12.026 1.607 1.00 0.00 O ATOM 970 CB VAL A 67 1.991 -13.054 2.072 1.00 0.00 C ATOM 971 CG1 VAL A 67 1.321 -14.105 1.188 1.00 0.00 C ATOM 972 CG2 VAL A 67 3.441 -12.887 1.657 1.00 0.00 C ATOM 0 H VAL A 67 2.687 -10.978 3.344 1.00 0.00 H new ATOM 0 HA VAL A 67 1.266 -11.348 0.966 1.00 0.00 H new ATOM 0 HB VAL A 67 1.953 -13.395 3.107 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.871 -15.044 1.259 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.295 -14.260 1.521 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.319 -13.763 0.153 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.949 -13.850 1.714 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.486 -12.513 0.634 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.931 -12.178 2.324 1.00 0.00 H new ATOM 982 N ASP A 68 -0.424 -11.838 3.742 1.00 0.00 N ATOM 983 CA ASP A 68 -1.748 -11.963 4.356 1.00 0.00 C ATOM 984 C ASP A 68 -2.722 -10.949 3.780 1.00 0.00 C ATOM 985 O ASP A 68 -3.688 -11.317 3.114 1.00 0.00 O ATOM 986 CB ASP A 68 -1.628 -11.769 5.872 1.00 0.00 C ATOM 987 CG ASP A 68 -2.950 -11.742 6.606 1.00 0.00 C ATOM 988 OD1 ASP A 68 -3.524 -12.810 6.875 1.00 0.00 O ATOM 989 OD2 ASP A 68 -3.401 -10.651 6.994 1.00 0.00 O ATOM 0 H ASP A 68 0.327 -11.713 4.421 1.00 0.00 H new ATOM 0 HA ASP A 68 -2.134 -12.959 4.140 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -1.016 -12.572 6.281 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.100 -10.835 6.066 1.00 0.00 H new ATOM 994 N LYS A 69 -2.413 -9.680 3.955 1.00 0.00 N ATOM 995 CA LYS A 69 -3.301 -8.598 3.521 1.00 0.00 C ATOM 996 C LYS A 69 -3.427 -8.596 2.001 1.00 0.00 C ATOM 997 O LYS A 69 -4.523 -8.388 1.465 1.00 0.00 O ATOM 998 CB LYS A 69 -2.771 -7.230 4.001 1.00 0.00 C ATOM 999 CG LYS A 69 -2.444 -7.131 5.498 1.00 0.00 C ATOM 1000 CD LYS A 69 -3.642 -7.423 6.363 1.00 0.00 C ATOM 1001 CE LYS A 69 -3.300 -7.437 7.845 1.00 0.00 C ATOM 1002 NZ LYS A 69 -2.363 -8.527 8.189 1.00 0.00 N ATOM 0 H LYS A 69 -1.550 -9.362 4.397 1.00 0.00 H new ATOM 0 HA LYS A 69 -4.283 -8.767 3.962 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -1.871 -6.991 3.435 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -3.512 -6.468 3.759 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -1.644 -7.831 5.740 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -2.072 -6.131 5.721 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -4.411 -6.673 6.178 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -4.063 -8.388 6.081 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -2.860 -6.480 8.124 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -4.215 -7.549 8.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -2.568 -8.871 9.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -2.474 -9.307 7.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -1.387 -8.171 8.150 1.00 0.00 H new ATOM 1016 N ALA A 70 -2.317 -8.862 1.321 1.00 0.00 N ATOM 1017 CA ALA A 70 -2.282 -8.887 -0.133 1.00 0.00 C ATOM 1018 C ALA A 70 -3.146 -10.003 -0.696 1.00 0.00 C ATOM 1019 O ALA A 70 -3.756 -9.846 -1.750 1.00 0.00 O ATOM 1020 CB ALA A 70 -0.854 -9.021 -0.638 1.00 0.00 C ATOM 0 H ALA A 70 -1.420 -9.065 1.762 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.690 -7.939 -0.483 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.854 -9.037 -1.728 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.263 -8.175 -0.288 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.420 -9.947 -0.261 1.00 0.00 H new ATOM 1026 N LYS A 71 -3.194 -11.120 0.000 1.00 0.00 N ATOM 1027 CA LYS A 71 -3.980 -12.262 -0.423 1.00 0.00 C ATOM 1028 C LYS A 71 -5.455 -12.038 -0.126 1.00 0.00 C ATOM 1029 O LYS A 71 -6.303 -12.182 -1.016 1.00 0.00 O ATOM 1030 CB LYS A 71 -3.505 -13.539 0.280 1.00 0.00 C ATOM 1031 CG LYS A 71 -4.281 -14.783 -0.122 1.00 0.00 C ATOM 1032 CD LYS A 71 -3.912 -15.996 0.731 1.00 0.00 C ATOM 1033 CE LYS A 71 -2.467 -16.428 0.541 1.00 0.00 C ATOM 1034 NZ LYS A 71 -2.131 -17.587 1.387 1.00 0.00 N ATOM 0 H LYS A 71 -2.689 -11.262 0.875 1.00 0.00 H new ATOM 0 HA LYS A 71 -3.846 -12.378 -1.499 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -2.449 -13.693 0.059 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -3.588 -13.402 1.358 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -5.349 -14.588 -0.030 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -4.087 -15.007 -1.171 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -4.082 -15.761 1.782 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -4.572 -16.827 0.479 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -2.297 -16.679 -0.506 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -1.804 -15.597 0.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -1.138 -17.854 1.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -2.270 -17.339 2.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -2.748 -18.387 1.140 1.00 0.00 H new ATOM 1048 N VAL A 72 -5.748 -11.664 1.111 1.00 0.00 N ATOM 1049 CA VAL A 72 -7.121 -11.483 1.559 1.00 0.00 C ATOM 1050 C VAL A 72 -7.825 -10.390 0.753 1.00 0.00 C ATOM 1051 O VAL A 72 -8.870 -10.627 0.156 1.00 0.00 O ATOM 1052 CB VAL A 72 -7.202 -11.152 3.074 1.00 0.00 C ATOM 1053 CG1 VAL A 72 -8.639 -11.020 3.518 1.00 0.00 C ATOM 1054 CG2 VAL A 72 -6.498 -12.207 3.904 1.00 0.00 C ATOM 0 H VAL A 72 -5.046 -11.479 1.828 1.00 0.00 H new ATOM 0 HA VAL A 72 -7.630 -12.432 1.392 1.00 0.00 H new ATOM 0 HB VAL A 72 -6.697 -10.199 3.229 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -8.671 -10.788 4.583 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -9.121 -10.219 2.957 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -9.164 -11.958 3.335 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -6.572 -11.948 4.960 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -6.967 -13.176 3.735 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.448 -12.257 3.615 1.00 0.00 H new ATOM 1064 N LEU A 73 -7.250 -9.210 0.730 1.00 0.00 N ATOM 1065 CA LEU A 73 -7.836 -8.103 -0.022 1.00 0.00 C ATOM 1066 C LEU A 73 -7.554 -8.157 -1.516 1.00 0.00 C ATOM 1067 O LEU A 73 -8.156 -7.400 -2.271 1.00 0.00 O ATOM 1068 CB LEU A 73 -7.371 -6.773 0.538 1.00 0.00 C ATOM 1069 CG LEU A 73 -7.816 -6.468 1.950 1.00 0.00 C ATOM 1070 CD1 LEU A 73 -7.277 -5.118 2.386 1.00 0.00 C ATOM 1071 CD2 LEU A 73 -9.334 -6.507 2.022 1.00 0.00 C ATOM 0 H LEU A 73 -6.383 -8.984 1.217 1.00 0.00 H new ATOM 0 HA LEU A 73 -8.915 -8.204 0.096 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -6.282 -6.746 0.506 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -7.729 -5.978 -0.116 1.00 0.00 H new ATOM 0 HG LEU A 73 -7.419 -7.221 2.631 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -7.603 -4.908 3.405 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -6.188 -5.132 2.349 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -7.652 -4.343 1.718 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -9.656 -6.287 3.040 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -9.750 -5.764 1.342 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -9.686 -7.498 1.736 1.00 0.00 H new ATOM 1083 N SER A 74 -6.688 -9.070 -1.943 1.00 0.00 N ATOM 1084 CA SER A 74 -6.240 -9.167 -3.340 1.00 0.00 C ATOM 1085 C SER A 74 -5.705 -7.815 -3.870 1.00 0.00 C ATOM 1086 O SER A 74 -6.332 -7.141 -4.694 1.00 0.00 O ATOM 1087 CB SER A 74 -7.296 -9.839 -4.274 1.00 0.00 C ATOM 1088 OG SER A 74 -8.591 -9.223 -4.168 1.00 0.00 O ATOM 0 H SER A 74 -6.271 -9.771 -1.331 1.00 0.00 H new ATOM 0 HA SER A 74 -5.390 -9.849 -3.353 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.953 -9.782 -5.307 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.378 -10.897 -4.024 1.00 0.00 H new ATOM 0 HG SER A 74 -8.499 -8.336 -3.761 1.00 0.00 H new ATOM 1094 N LEU A 75 -4.580 -7.405 -3.312 1.00 0.00 N ATOM 1095 CA LEU A 75 -3.944 -6.133 -3.627 1.00 0.00 C ATOM 1096 C LEU A 75 -3.147 -6.218 -4.926 1.00 0.00 C ATOM 1097 O LEU A 75 -3.114 -7.259 -5.577 1.00 0.00 O ATOM 1098 CB LEU A 75 -3.025 -5.725 -2.474 1.00 0.00 C ATOM 1099 CG LEU A 75 -3.688 -5.620 -1.100 1.00 0.00 C ATOM 1100 CD1 LEU A 75 -2.673 -5.265 -0.039 1.00 0.00 C ATOM 1101 CD2 LEU A 75 -4.809 -4.607 -1.125 1.00 0.00 C ATOM 0 H LEU A 75 -4.073 -7.953 -2.617 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.722 -5.382 -3.762 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -2.211 -6.447 -2.410 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.577 -4.761 -2.715 1.00 0.00 H new ATOM 0 HG LEU A 75 -4.111 -6.594 -0.853 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.168 -5.196 0.930 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -1.904 -6.036 0.001 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.214 -4.306 -0.281 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.268 -4.547 -0.138 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.411 -3.630 -1.400 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.558 -4.912 -1.855 1.00 0.00 H new ATOM 1113 N ALA A 76 -2.488 -5.134 -5.281 1.00 0.00 N ATOM 1114 CA ALA A 76 -1.726 -5.073 -6.508 1.00 0.00 C ATOM 1115 C ALA A 76 -0.350 -4.599 -6.205 1.00 0.00 C ATOM 1116 O ALA A 76 0.587 -5.007 -6.827 1.00 0.00 O ATOM 1117 CB ALA A 76 -2.374 -4.165 -7.526 1.00 0.00 C ATOM 0 H ALA A 76 -2.466 -4.276 -4.730 1.00 0.00 H new ATOM 0 HA ALA A 76 -1.691 -6.073 -6.939 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -1.770 -4.147 -8.433 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -3.372 -4.536 -7.761 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -2.448 -3.157 -7.119 1.00 0.00 H new ATOM 1123 N ALA A 77 -0.243 -3.685 -5.273 1.00 0.00 N ATOM 1124 CA ALA A 77 1.034 -3.236 -4.814 1.00 0.00 C ATOM 1125 C ALA A 77 1.009 -2.940 -3.332 1.00 0.00 C ATOM 1126 O ALA A 77 -0.065 -2.764 -2.736 1.00 0.00 O ATOM 1127 CB ALA A 77 1.466 -2.017 -5.575 1.00 0.00 C ATOM 0 H ALA A 77 -1.038 -3.237 -4.817 1.00 0.00 H new ATOM 0 HA ALA A 77 1.752 -4.037 -4.990 1.00 0.00 H new ATOM 0 HB1 ALA A 77 2.440 -1.688 -5.213 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.535 -2.256 -6.636 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.737 -1.220 -5.429 1.00 0.00 H new ATOM 1133 N VAL A 78 2.175 -2.918 -2.754 1.00 0.00 N ATOM 1134 CA VAL A 78 2.373 -2.565 -1.344 1.00 0.00 C ATOM 1135 C VAL A 78 3.654 -1.713 -1.222 1.00 0.00 C ATOM 1136 O VAL A 78 4.610 -1.926 -1.965 1.00 0.00 O ATOM 1137 CB VAL A 78 2.484 -3.826 -0.445 1.00 0.00 C ATOM 1138 CG1 VAL A 78 3.641 -4.707 -0.909 1.00 0.00 C ATOM 1139 CG2 VAL A 78 2.653 -3.450 1.027 1.00 0.00 C ATOM 0 H VAL A 78 3.041 -3.146 -3.242 1.00 0.00 H new ATOM 0 HA VAL A 78 1.507 -1.999 -1.001 1.00 0.00 H new ATOM 0 HB VAL A 78 1.554 -4.387 -0.538 1.00 0.00 H new ATOM 0 HG11 VAL A 78 3.707 -5.587 -0.270 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.470 -5.019 -1.939 1.00 0.00 H new ATOM 0 HG13 VAL A 78 4.573 -4.145 -0.850 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.727 -4.356 1.628 1.00 0.00 H new ATOM 0 HG22 VAL A 78 3.560 -2.858 1.149 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.792 -2.867 1.355 1.00 0.00 H new ATOM 1149 N GLN A 79 3.635 -0.707 -0.383 1.00 0.00 N ATOM 1150 CA GLN A 79 4.728 0.185 -0.246 1.00 0.00 C ATOM 1151 C GLN A 79 5.542 -0.050 1.011 1.00 0.00 C ATOM 1152 O GLN A 79 5.124 0.293 2.114 1.00 0.00 O ATOM 1153 CB GLN A 79 4.227 1.603 -0.282 1.00 0.00 C ATOM 1154 CG GLN A 79 3.994 2.177 -1.663 1.00 0.00 C ATOM 1155 CD GLN A 79 2.827 1.559 -2.400 1.00 0.00 C ATOM 1156 OE1 GLN A 79 1.723 2.041 -2.321 1.00 0.00 O ATOM 1157 NE2 GLN A 79 3.063 0.463 -3.090 1.00 0.00 N ATOM 0 H GLN A 79 2.844 -0.494 0.225 1.00 0.00 H new ATOM 0 HA GLN A 79 5.399 -0.002 -1.084 1.00 0.00 H new ATOM 0 HB2 GLN A 79 3.292 1.654 0.276 1.00 0.00 H new ATOM 0 HB3 GLN A 79 4.944 2.237 0.240 1.00 0.00 H new ATOM 0 HG2 GLN A 79 3.827 3.251 -1.575 1.00 0.00 H new ATOM 0 HG3 GLN A 79 4.898 2.043 -2.258 1.00 0.00 H new ATOM 0 HE21 GLN A 79 4.008 0.083 -3.136 1.00 0.00 H new ATOM 0 HE22 GLN A 79 2.300 -0.006 -3.579 1.00 0.00 H new ATOM 1166 N LEU A 80 6.697 -0.633 0.820 1.00 0.00 N ATOM 1167 CA LEU A 80 7.646 -0.900 1.861 1.00 0.00 C ATOM 1168 C LEU A 80 8.879 -0.088 1.575 1.00 0.00 C ATOM 1169 O LEU A 80 9.680 -0.447 0.725 1.00 0.00 O ATOM 1170 CB LEU A 80 7.964 -2.390 1.942 1.00 0.00 C ATOM 1171 CG LEU A 80 6.773 -3.297 2.247 1.00 0.00 C ATOM 1172 CD1 LEU A 80 7.195 -4.738 2.249 1.00 0.00 C ATOM 1173 CD2 LEU A 80 6.148 -2.933 3.581 1.00 0.00 C ATOM 0 H LEU A 80 7.011 -0.945 -0.099 1.00 0.00 H new ATOM 0 HA LEU A 80 7.234 -0.619 2.830 1.00 0.00 H new ATOM 0 HB2 LEU A 80 8.404 -2.703 0.995 1.00 0.00 H new ATOM 0 HB3 LEU A 80 8.721 -2.542 2.711 1.00 0.00 H new ATOM 0 HG LEU A 80 6.028 -3.152 1.465 1.00 0.00 H new ATOM 0 HD11 LEU A 80 6.334 -5.369 2.468 1.00 0.00 H new ATOM 0 HD12 LEU A 80 7.598 -5.001 1.271 1.00 0.00 H new ATOM 0 HD13 LEU A 80 7.960 -4.892 3.010 1.00 0.00 H new ATOM 0 HD21 LEU A 80 5.302 -3.591 3.778 1.00 0.00 H new ATOM 0 HD22 LEU A 80 6.888 -3.047 4.373 1.00 0.00 H new ATOM 0 HD23 LEU A 80 5.804 -1.899 3.552 1.00 0.00 H new ATOM 1185 N HIS A 81 8.988 1.025 2.210 1.00 0.00 N ATOM 1186 CA HIS A 81 10.084 1.945 1.934 1.00 0.00 C ATOM 1187 C HIS A 81 10.864 2.290 3.181 1.00 0.00 C ATOM 1188 O HIS A 81 12.004 2.716 3.114 1.00 0.00 O ATOM 1189 CB HIS A 81 9.511 3.252 1.324 1.00 0.00 C ATOM 1190 CG HIS A 81 8.528 4.008 2.223 1.00 0.00 C ATOM 1191 ND1 HIS A 81 7.312 3.628 2.707 1.00 0.00 N flip ATOM 1192 CD2 HIS A 81 8.731 5.289 2.695 1.00 0.00 C flip ATOM 1193 CE1 HIS A 81 6.778 4.656 3.470 1.00 0.00 C flip ATOM 1194 NE2 HIS A 81 7.671 5.633 3.433 1.00 0.00 N flip ATOM 0 H HIS A 81 8.339 1.340 2.931 1.00 0.00 H new ATOM 0 HA HIS A 81 10.762 1.453 1.237 1.00 0.00 H new ATOM 0 HB2 HIS A 81 10.341 3.915 1.079 1.00 0.00 H new ATOM 0 HB3 HIS A 81 9.010 3.009 0.387 1.00 0.00 H new ATOM 0 HD2 HIS A 81 9.596 5.906 2.502 1.00 0.00 H new ATOM 0 HE1 HIS A 81 5.830 4.659 3.987 1.00 0.00 H new ATOM 0 HE2 HIS A 81 7.564 6.530 3.906 1.00 0.00 H new ATOM 1202 N GLY A 82 10.229 2.134 4.293 1.00 0.00 N ATOM 1203 CA GLY A 82 10.791 2.661 5.507 1.00 0.00 C ATOM 1204 C GLY A 82 11.671 1.756 6.352 1.00 0.00 C ATOM 1205 O GLY A 82 12.816 2.074 6.630 1.00 0.00 O ATOM 0 H GLY A 82 9.334 1.655 4.395 1.00 0.00 H new ATOM 0 HA2 GLY A 82 11.377 3.542 5.246 1.00 0.00 H new ATOM 0 HA3 GLY A 82 9.966 3.000 6.134 1.00 0.00 H new ATOM 1209 N ASN A 83 11.144 0.632 6.732 1.00 0.00 N ATOM 1210 CA ASN A 83 11.678 -0.101 7.879 1.00 0.00 C ATOM 1211 C ASN A 83 12.885 -1.041 7.747 1.00 0.00 C ATOM 1212 O ASN A 83 13.967 -0.713 8.229 1.00 0.00 O ATOM 1213 CB ASN A 83 10.546 -0.815 8.627 1.00 0.00 C ATOM 1214 CG ASN A 83 9.735 -1.785 7.769 1.00 0.00 C ATOM 1215 OD1 ASN A 83 9.602 -1.620 6.558 1.00 0.00 O ATOM 1216 ND2 ASN A 83 9.184 -2.774 8.388 1.00 0.00 N ATOM 0 H ASN A 83 10.346 0.189 6.277 1.00 0.00 H new ATOM 0 HA ASN A 83 12.133 0.725 8.427 1.00 0.00 H new ATOM 0 HB2 ASN A 83 10.971 -1.362 9.468 1.00 0.00 H new ATOM 0 HB3 ASN A 83 9.872 -0.066 9.042 1.00 0.00 H new ATOM 0 HD21 ASN A 83 8.618 -3.448 7.871 1.00 0.00 H new ATOM 0 HD22 ASN A 83 9.314 -2.882 9.394 1.00 0.00 H new ATOM 1223 N GLU A 84 12.737 -2.173 7.087 1.00 0.00 N ATOM 1224 CA GLU A 84 13.691 -3.247 7.380 1.00 0.00 C ATOM 1225 C GLU A 84 15.003 -3.354 6.614 1.00 0.00 C ATOM 1226 O GLU A 84 16.047 -3.449 7.253 1.00 0.00 O ATOM 1227 CB GLU A 84 12.996 -4.594 7.527 1.00 0.00 C ATOM 1228 CG GLU A 84 12.003 -4.635 8.690 1.00 0.00 C ATOM 1229 CD GLU A 84 12.625 -4.206 10.015 1.00 0.00 C ATOM 1230 OE1 GLU A 84 13.410 -4.981 10.594 1.00 0.00 O ATOM 1231 OE2 GLU A 84 12.319 -3.091 10.515 1.00 0.00 O ATOM 0 H GLU A 84 12.021 -2.376 6.390 1.00 0.00 H new ATOM 0 HA GLU A 84 14.079 -2.896 8.337 1.00 0.00 H new ATOM 0 HB2 GLU A 84 12.471 -4.828 6.601 1.00 0.00 H new ATOM 0 HB3 GLU A 84 13.748 -5.370 7.672 1.00 0.00 H new ATOM 0 HG2 GLU A 84 11.158 -3.985 8.463 1.00 0.00 H new ATOM 0 HG3 GLU A 84 11.609 -5.646 8.790 1.00 0.00 H new ATOM 1238 N GLU A 85 14.992 -3.301 5.299 1.00 0.00 N ATOM 1239 CA GLU A 85 16.228 -3.549 4.551 1.00 0.00 C ATOM 1240 C GLU A 85 15.981 -3.308 3.072 1.00 0.00 C ATOM 1241 O GLU A 85 14.834 -3.273 2.649 1.00 0.00 O ATOM 1242 CB GLU A 85 16.656 -5.018 4.757 1.00 0.00 C ATOM 1243 CG GLU A 85 18.148 -5.211 4.981 1.00 0.00 C ATOM 1244 CD GLU A 85 18.978 -4.763 3.824 1.00 0.00 C ATOM 1245 OE1 GLU A 85 19.127 -5.525 2.851 1.00 0.00 O ATOM 1246 OE2 GLU A 85 19.424 -3.604 3.813 1.00 0.00 O ATOM 0 H GLU A 85 14.171 -3.095 4.729 1.00 0.00 H new ATOM 0 HA GLU A 85 17.011 -2.879 4.906 1.00 0.00 H new ATOM 0 HB2 GLU A 85 16.117 -5.424 5.613 1.00 0.00 H new ATOM 0 HB3 GLU A 85 16.354 -5.598 3.885 1.00 0.00 H new ATOM 0 HG2 GLU A 85 18.450 -4.660 5.872 1.00 0.00 H new ATOM 0 HG3 GLU A 85 18.346 -6.265 5.176 1.00 0.00 H new ATOM 1253 N GLN A 86 17.062 -3.216 2.291 1.00 0.00 N ATOM 1254 CA GLN A 86 17.033 -2.961 0.882 1.00 0.00 C ATOM 1255 C GLN A 86 16.568 -4.215 0.209 1.00 0.00 C ATOM 1256 O GLN A 86 15.648 -4.225 -0.597 1.00 0.00 O ATOM 1257 CB GLN A 86 18.475 -2.712 0.425 1.00 0.00 C ATOM 1258 CG GLN A 86 19.230 -1.646 1.196 1.00 0.00 C ATOM 1259 CD GLN A 86 18.732 -0.252 0.956 1.00 0.00 C ATOM 1260 OE1 GLN A 86 19.219 0.447 0.078 1.00 0.00 O ATOM 1261 NE2 GLN A 86 17.769 0.162 1.721 1.00 0.00 N ATOM 0 H GLN A 86 18.009 -3.324 2.655 1.00 0.00 H new ATOM 0 HA GLN A 86 16.388 -2.114 0.648 1.00 0.00 H new ATOM 0 HB2 GLN A 86 19.028 -3.649 0.498 1.00 0.00 H new ATOM 0 HB3 GLN A 86 18.461 -2.432 -0.628 1.00 0.00 H new ATOM 0 HG2 GLN A 86 19.163 -1.866 2.261 1.00 0.00 H new ATOM 0 HG3 GLN A 86 20.285 -1.695 0.926 1.00 0.00 H new ATOM 0 HE21 GLN A 86 17.390 -0.452 2.442 1.00 0.00 H new ATOM 0 HE22 GLN A 86 17.391 1.102 1.601 1.00 0.00 H new ATOM 1270 N LEU A 87 17.192 -5.277 0.613 1.00 0.00 N ATOM 1271 CA LEU A 87 17.012 -6.565 0.008 1.00 0.00 C ATOM 1272 C LEU A 87 15.781 -7.291 0.509 1.00 0.00 C ATOM 1273 O LEU A 87 15.388 -8.306 -0.041 1.00 0.00 O ATOM 1274 CB LEU A 87 18.252 -7.386 0.169 1.00 0.00 C ATOM 1275 CG LEU A 87 19.489 -6.723 -0.381 1.00 0.00 C ATOM 1276 CD1 LEU A 87 20.720 -7.539 -0.097 1.00 0.00 C ATOM 1277 CD2 LEU A 87 19.349 -6.421 -1.862 1.00 0.00 C ATOM 0 H LEU A 87 17.855 -5.276 1.388 1.00 0.00 H new ATOM 0 HA LEU A 87 16.837 -6.404 -1.056 1.00 0.00 H new ATOM 0 HB2 LEU A 87 18.403 -7.597 1.228 1.00 0.00 H new ATOM 0 HB3 LEU A 87 18.111 -8.344 -0.330 1.00 0.00 H new ATOM 0 HG LEU A 87 19.604 -5.769 0.133 1.00 0.00 H new ATOM 0 HD11 LEU A 87 21.594 -7.033 -0.507 1.00 0.00 H new ATOM 0 HD12 LEU A 87 20.839 -7.655 0.980 1.00 0.00 H new ATOM 0 HD13 LEU A 87 20.620 -8.521 -0.558 1.00 0.00 H new ATOM 0 HD21 LEU A 87 20.260 -5.943 -2.224 1.00 0.00 H new ATOM 0 HD22 LEU A 87 19.184 -7.350 -2.409 1.00 0.00 H new ATOM 0 HD23 LEU A 87 18.502 -5.753 -2.019 1.00 0.00 H new ATOM 1289 N TYR A 88 15.201 -6.798 1.582 1.00 0.00 N ATOM 1290 CA TYR A 88 13.965 -7.366 2.117 1.00 0.00 C ATOM 1291 C TYR A 88 12.850 -7.301 1.077 1.00 0.00 C ATOM 1292 O TYR A 88 12.061 -8.218 0.941 1.00 0.00 O ATOM 1293 CB TYR A 88 13.555 -6.642 3.402 1.00 0.00 C ATOM 1294 CG TYR A 88 12.156 -6.968 3.897 1.00 0.00 C ATOM 1295 CD1 TYR A 88 11.765 -8.276 4.173 1.00 0.00 C ATOM 1296 CD2 TYR A 88 11.234 -5.955 4.094 1.00 0.00 C ATOM 1297 CE1 TYR A 88 10.495 -8.560 4.624 1.00 0.00 C ATOM 1298 CE2 TYR A 88 9.956 -6.230 4.562 1.00 0.00 C ATOM 1299 CZ TYR A 88 9.594 -7.535 4.819 1.00 0.00 C ATOM 1300 OH TYR A 88 8.339 -7.814 5.300 1.00 0.00 O ATOM 0 H TYR A 88 15.561 -6.002 2.109 1.00 0.00 H new ATOM 0 HA TYR A 88 14.142 -8.414 2.358 1.00 0.00 H new ATOM 0 HB2 TYR A 88 14.270 -6.890 4.186 1.00 0.00 H new ATOM 0 HB3 TYR A 88 13.625 -5.567 3.235 1.00 0.00 H new ATOM 0 HD1 TYR A 88 12.470 -9.082 4.031 1.00 0.00 H new ATOM 0 HD2 TYR A 88 11.513 -4.934 3.880 1.00 0.00 H new ATOM 0 HE1 TYR A 88 10.206 -9.581 4.824 1.00 0.00 H new ATOM 0 HE2 TYR A 88 9.251 -5.428 4.723 1.00 0.00 H new ATOM 0 HH TYR A 88 8.384 -7.954 6.269 1.00 0.00 H new ATOM 1310 N ILE A 89 12.848 -6.244 0.308 1.00 0.00 N ATOM 1311 CA ILE A 89 11.865 -6.020 -0.727 1.00 0.00 C ATOM 1312 C ILE A 89 11.974 -7.103 -1.805 1.00 0.00 C ATOM 1313 O ILE A 89 10.967 -7.594 -2.342 1.00 0.00 O ATOM 1314 CB ILE A 89 12.018 -4.581 -1.299 1.00 0.00 C ATOM 1315 CG1 ILE A 89 11.319 -3.536 -0.392 1.00 0.00 C ATOM 1316 CG2 ILE A 89 11.498 -4.479 -2.708 1.00 0.00 C ATOM 1317 CD1 ILE A 89 11.797 -3.465 1.047 1.00 0.00 C ATOM 0 H ILE A 89 13.541 -5.499 0.382 1.00 0.00 H new ATOM 0 HA ILE A 89 10.862 -6.094 -0.308 1.00 0.00 H new ATOM 0 HB ILE A 89 13.086 -4.363 -1.319 1.00 0.00 H new ATOM 0 HG12 ILE A 89 11.446 -2.552 -0.843 1.00 0.00 H new ATOM 0 HG13 ILE A 89 10.250 -3.748 -0.387 1.00 0.00 H new ATOM 0 HG21 ILE A 89 11.624 -3.458 -3.069 1.00 0.00 H new ATOM 0 HG22 ILE A 89 12.053 -5.162 -3.351 1.00 0.00 H new ATOM 0 HG23 ILE A 89 10.440 -4.742 -2.725 1.00 0.00 H new ATOM 0 HD11 ILE A 89 11.234 -2.699 1.580 1.00 0.00 H new ATOM 0 HD12 ILE A 89 11.643 -4.430 1.530 1.00 0.00 H new ATOM 0 HD13 ILE A 89 12.858 -3.215 1.066 1.00 0.00 H new ATOM 1329 N ASP A 90 13.194 -7.523 -2.022 1.00 0.00 N ATOM 1330 CA ASP A 90 13.550 -8.604 -2.950 1.00 0.00 C ATOM 1331 C ASP A 90 12.961 -9.939 -2.475 1.00 0.00 C ATOM 1332 O ASP A 90 12.725 -10.860 -3.262 1.00 0.00 O ATOM 1333 CB ASP A 90 15.065 -8.712 -3.000 1.00 0.00 C ATOM 1334 CG ASP A 90 15.563 -9.792 -3.945 1.00 0.00 C ATOM 1335 OD1 ASP A 90 15.586 -9.569 -5.166 1.00 0.00 O ATOM 1336 OD2 ASP A 90 15.960 -10.881 -3.484 1.00 0.00 O ATOM 0 H ASP A 90 14.003 -7.119 -1.551 1.00 0.00 H new ATOM 0 HA ASP A 90 13.147 -8.381 -3.938 1.00 0.00 H new ATOM 0 HB2 ASP A 90 15.480 -7.752 -3.307 1.00 0.00 H new ATOM 0 HB3 ASP A 90 15.440 -8.916 -1.997 1.00 0.00 H new ATOM 1341 N THR A 91 12.693 -10.004 -1.203 1.00 0.00 N ATOM 1342 CA THR A 91 12.169 -11.168 -0.563 1.00 0.00 C ATOM 1343 C THR A 91 10.638 -11.227 -0.721 1.00 0.00 C ATOM 1344 O THR A 91 10.070 -12.294 -0.959 1.00 0.00 O ATOM 1345 CB THR A 91 12.570 -11.146 0.920 1.00 0.00 C ATOM 1346 OG1 THR A 91 14.004 -11.173 1.046 1.00 0.00 O ATOM 1347 CG2 THR A 91 11.965 -12.294 1.642 1.00 0.00 C ATOM 0 H THR A 91 12.839 -9.221 -0.565 1.00 0.00 H new ATOM 0 HA THR A 91 12.582 -12.061 -1.031 1.00 0.00 H new ATOM 0 HB THR A 91 12.196 -10.225 1.367 1.00 0.00 H new ATOM 0 HG1 THR A 91 14.379 -10.340 0.691 1.00 0.00 H new ATOM 0 HG21 THR A 91 12.261 -12.261 2.691 1.00 0.00 H new ATOM 0 HG22 THR A 91 10.879 -12.238 1.569 1.00 0.00 H new ATOM 0 HG23 THR A 91 12.311 -13.227 1.197 1.00 0.00 H new ATOM 1355 N LEU A 92 9.984 -10.073 -0.600 1.00 0.00 N ATOM 1356 CA LEU A 92 8.537 -9.954 -0.786 1.00 0.00 C ATOM 1357 C LEU A 92 8.124 -10.535 -2.107 1.00 0.00 C ATOM 1358 O LEU A 92 7.158 -11.264 -2.193 1.00 0.00 O ATOM 1359 CB LEU A 92 8.062 -8.496 -0.716 1.00 0.00 C ATOM 1360 CG LEU A 92 7.839 -7.873 0.658 1.00 0.00 C ATOM 1361 CD1 LEU A 92 6.940 -8.726 1.465 1.00 0.00 C ATOM 1362 CD2 LEU A 92 9.116 -7.653 1.391 1.00 0.00 C ATOM 0 H LEU A 92 10.443 -9.192 -0.370 1.00 0.00 H new ATOM 0 HA LEU A 92 8.072 -10.509 0.029 1.00 0.00 H new ATOM 0 HB2 LEU A 92 8.792 -7.883 -1.244 1.00 0.00 H new ATOM 0 HB3 LEU A 92 7.126 -8.425 -1.269 1.00 0.00 H new ATOM 0 HG LEU A 92 7.378 -6.898 0.498 1.00 0.00 H new ATOM 0 HD11 LEU A 92 6.788 -8.271 2.444 1.00 0.00 H new ATOM 0 HD12 LEU A 92 5.980 -8.825 0.958 1.00 0.00 H new ATOM 0 HD13 LEU A 92 7.388 -9.712 1.589 1.00 0.00 H new ATOM 0 HD21 LEU A 92 8.905 -7.208 2.363 1.00 0.00 H new ATOM 0 HD22 LEU A 92 9.624 -8.607 1.531 1.00 0.00 H new ATOM 0 HD23 LEU A 92 9.755 -6.983 0.816 1.00 0.00 H new ATOM 1374 N ARG A 93 8.912 -10.207 -3.119 1.00 0.00 N ATOM 1375 CA ARG A 93 8.777 -10.704 -4.511 1.00 0.00 C ATOM 1376 C ARG A 93 8.509 -12.178 -4.560 1.00 0.00 C ATOM 1377 O ARG A 93 7.753 -12.665 -5.385 1.00 0.00 O ATOM 1378 CB ARG A 93 10.094 -10.522 -5.276 1.00 0.00 C ATOM 1379 CG ARG A 93 10.723 -9.170 -5.165 1.00 0.00 C ATOM 1380 CD ARG A 93 9.702 -8.116 -5.320 1.00 0.00 C ATOM 1381 NE ARG A 93 8.908 -8.316 -6.569 1.00 0.00 N ATOM 1382 CZ ARG A 93 8.342 -7.390 -7.345 1.00 0.00 C ATOM 1383 NH1 ARG A 93 8.619 -6.104 -7.193 1.00 0.00 N ATOM 1384 NH2 ARG A 93 7.558 -7.781 -8.341 1.00 0.00 N ATOM 0 H ARG A 93 9.697 -9.565 -3.007 1.00 0.00 H new ATOM 0 HA ARG A 93 7.953 -10.138 -4.945 1.00 0.00 H new ATOM 0 HB2 ARG A 93 10.807 -11.265 -4.919 1.00 0.00 H new ATOM 0 HB3 ARG A 93 9.914 -10.734 -6.330 1.00 0.00 H new ATOM 0 HG2 ARG A 93 11.216 -9.069 -4.198 1.00 0.00 H new ATOM 0 HG3 ARG A 93 11.492 -9.056 -5.928 1.00 0.00 H new ATOM 0 HD2 ARG A 93 9.036 -8.121 -4.457 1.00 0.00 H new ATOM 0 HD3 ARG A 93 10.184 -7.139 -5.345 1.00 0.00 H new ATOM 0 HE ARG A 93 8.782 -9.284 -6.867 1.00 0.00 H new ATOM 0 HH11 ARG A 93 9.276 -5.806 -6.472 1.00 0.00 H new ATOM 0 HH12 ARG A 93 8.175 -5.412 -7.797 1.00 0.00 H new ATOM 0 HH21 ARG A 93 7.397 -8.775 -8.503 1.00 0.00 H new ATOM 0 HH22 ARG A 93 7.117 -7.088 -8.945 1.00 0.00 H new ATOM 1398 N GLU A 94 9.165 -12.858 -3.696 1.00 0.00 N ATOM 1399 CA GLU A 94 9.137 -14.308 -3.653 1.00 0.00 C ATOM 1400 C GLU A 94 7.851 -14.836 -3.046 1.00 0.00 C ATOM 1401 O GLU A 94 7.237 -15.770 -3.578 1.00 0.00 O ATOM 1402 CB GLU A 94 10.314 -14.820 -2.860 1.00 0.00 C ATOM 1403 CG GLU A 94 11.631 -14.258 -3.321 1.00 0.00 C ATOM 1404 CD GLU A 94 12.787 -14.836 -2.575 1.00 0.00 C ATOM 1405 OE1 GLU A 94 13.232 -15.958 -2.931 1.00 0.00 O ATOM 1406 OE2 GLU A 94 13.267 -14.212 -1.619 1.00 0.00 O ATOM 0 H GLU A 94 9.753 -12.435 -2.978 1.00 0.00 H new ATOM 0 HA GLU A 94 9.192 -14.666 -4.681 1.00 0.00 H new ATOM 0 HB2 GLU A 94 10.170 -14.573 -1.808 1.00 0.00 H new ATOM 0 HB3 GLU A 94 10.346 -15.907 -2.931 1.00 0.00 H new ATOM 0 HG2 GLU A 94 11.754 -14.454 -4.386 1.00 0.00 H new ATOM 0 HG3 GLU A 94 11.625 -13.175 -3.195 1.00 0.00 H new ATOM 1413 N ALA A 95 7.431 -14.237 -1.956 1.00 0.00 N ATOM 1414 CA ALA A 95 6.247 -14.717 -1.235 1.00 0.00 C ATOM 1415 C ALA A 95 4.948 -14.133 -1.781 1.00 0.00 C ATOM 1416 O ALA A 95 3.856 -14.528 -1.387 1.00 0.00 O ATOM 1417 CB ALA A 95 6.382 -14.485 0.253 1.00 0.00 C ATOM 0 H ALA A 95 7.880 -13.420 -1.541 1.00 0.00 H new ATOM 0 HA ALA A 95 6.191 -15.793 -1.403 1.00 0.00 H new ATOM 0 HB1 ALA A 95 5.490 -14.851 0.761 1.00 0.00 H new ATOM 0 HB2 ALA A 95 7.256 -15.018 0.627 1.00 0.00 H new ATOM 0 HB3 ALA A 95 6.498 -13.418 0.446 1.00 0.00 H new ATOM 1423 N LEU A 96 5.084 -13.204 -2.663 1.00 0.00 N ATOM 1424 CA LEU A 96 3.967 -12.587 -3.354 1.00 0.00 C ATOM 1425 C LEU A 96 3.943 -13.094 -4.776 1.00 0.00 C ATOM 1426 O LEU A 96 4.983 -13.481 -5.309 1.00 0.00 O ATOM 1427 CB LEU A 96 4.111 -11.054 -3.337 1.00 0.00 C ATOM 1428 CG LEU A 96 4.054 -10.385 -1.955 1.00 0.00 C ATOM 1429 CD1 LEU A 96 4.302 -8.893 -2.069 1.00 0.00 C ATOM 1430 CD2 LEU A 96 2.708 -10.640 -1.292 1.00 0.00 C ATOM 0 H LEU A 96 5.992 -12.832 -2.942 1.00 0.00 H new ATOM 0 HA LEU A 96 3.034 -12.845 -2.853 1.00 0.00 H new ATOM 0 HB2 LEU A 96 5.060 -10.793 -3.805 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.322 -10.628 -3.957 1.00 0.00 H new ATOM 0 HG LEU A 96 4.838 -10.822 -1.337 1.00 0.00 H new ATOM 0 HD11 LEU A 96 4.257 -8.440 -1.079 1.00 0.00 H new ATOM 0 HD12 LEU A 96 5.287 -8.720 -2.503 1.00 0.00 H new ATOM 0 HD13 LEU A 96 3.541 -8.445 -2.708 1.00 0.00 H new ATOM 0 HD21 LEU A 96 2.687 -10.158 -0.314 1.00 0.00 H new ATOM 0 HD22 LEU A 96 1.912 -10.232 -1.915 1.00 0.00 H new ATOM 0 HD23 LEU A 96 2.559 -11.713 -1.171 1.00 0.00 H new ATOM 1442 N PRO A 97 2.769 -13.221 -5.386 1.00 0.00 N ATOM 1443 CA PRO A 97 2.685 -13.569 -6.785 1.00 0.00 C ATOM 1444 C PRO A 97 3.143 -12.381 -7.626 1.00 0.00 C ATOM 1445 O PRO A 97 3.166 -11.250 -7.140 1.00 0.00 O ATOM 1446 CB PRO A 97 1.202 -13.868 -7.005 1.00 0.00 C ATOM 1447 CG PRO A 97 0.502 -13.107 -5.944 1.00 0.00 C ATOM 1448 CD PRO A 97 1.437 -13.064 -4.768 1.00 0.00 C ATOM 0 HA PRO A 97 3.313 -14.415 -7.066 1.00 0.00 H new ATOM 0 HB2 PRO A 97 0.878 -13.553 -7.997 1.00 0.00 H new ATOM 0 HB3 PRO A 97 0.998 -14.936 -6.927 1.00 0.00 H new ATOM 0 HG2 PRO A 97 0.258 -12.100 -6.284 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -0.438 -13.589 -5.676 1.00 0.00 H new ATOM 0 HD2 PRO A 97 1.355 -12.124 -4.223 1.00 0.00 H new ATOM 0 HD3 PRO A 97 1.227 -13.863 -4.058 1.00 0.00 H new ATOM 1456 N ALA A 98 3.440 -12.626 -8.876 1.00 0.00 N ATOM 1457 CA ALA A 98 4.024 -11.622 -9.774 1.00 0.00 C ATOM 1458 C ALA A 98 3.117 -10.407 -9.963 1.00 0.00 C ATOM 1459 O ALA A 98 3.583 -9.300 -10.248 1.00 0.00 O ATOM 1460 CB ALA A 98 4.323 -12.256 -11.109 1.00 0.00 C ATOM 0 H ALA A 98 3.288 -13.532 -9.318 1.00 0.00 H new ATOM 0 HA ALA A 98 4.944 -11.263 -9.313 1.00 0.00 H new ATOM 0 HB1 ALA A 98 4.757 -11.511 -11.776 1.00 0.00 H new ATOM 0 HB2 ALA A 98 5.028 -13.076 -10.973 1.00 0.00 H new ATOM 0 HB3 ALA A 98 3.400 -12.640 -11.544 1.00 0.00 H new ATOM 1466 N HIS A 99 1.839 -10.620 -9.779 1.00 0.00 N ATOM 1467 CA HIS A 99 0.859 -9.574 -9.943 1.00 0.00 C ATOM 1468 C HIS A 99 0.594 -8.756 -8.663 1.00 0.00 C ATOM 1469 O HIS A 99 -0.279 -7.877 -8.655 1.00 0.00 O ATOM 1470 CB HIS A 99 -0.433 -10.087 -10.621 1.00 0.00 C ATOM 1471 CG HIS A 99 -0.957 -11.377 -10.107 1.00 0.00 C ATOM 1472 ND1 HIS A 99 -1.100 -12.513 -10.871 1.00 0.00 N ATOM 1473 CD2 HIS A 99 -1.394 -11.682 -8.905 1.00 0.00 C ATOM 1474 CE1 HIS A 99 -1.623 -13.459 -10.104 1.00 0.00 C ATOM 1475 NE2 HIS A 99 -1.828 -13.004 -8.881 1.00 0.00 N ATOM 0 H HIS A 99 1.447 -11.523 -9.511 1.00 0.00 H new ATOM 0 HA HIS A 99 1.306 -8.857 -10.632 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -1.208 -9.329 -10.507 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -0.245 -10.192 -11.689 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -1.413 -11.007 -8.062 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -1.850 -14.462 -10.433 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -2.220 -13.513 -8.089 1.00 0.00 H new ATOM 1483 N VAL A 100 1.297 -9.061 -7.573 1.00 0.00 N ATOM 1484 CA VAL A 100 1.296 -8.229 -6.434 1.00 0.00 C ATOM 1485 C VAL A 100 2.692 -7.638 -6.369 1.00 0.00 C ATOM 1486 O VAL A 100 3.686 -8.362 -6.420 1.00 0.00 O ATOM 1487 CB VAL A 100 0.981 -9.010 -5.157 1.00 0.00 C ATOM 1488 CG1 VAL A 100 1.099 -8.107 -3.979 1.00 0.00 C ATOM 1489 CG2 VAL A 100 -0.408 -9.616 -5.218 1.00 0.00 C ATOM 0 H VAL A 100 1.874 -9.898 -7.483 1.00 0.00 H new ATOM 0 HA VAL A 100 0.525 -7.462 -6.510 1.00 0.00 H new ATOM 0 HB VAL A 100 1.698 -9.826 -5.062 1.00 0.00 H new ATOM 0 HG11 VAL A 100 0.874 -8.664 -3.069 1.00 0.00 H new ATOM 0 HG12 VAL A 100 2.114 -7.714 -3.922 1.00 0.00 H new ATOM 0 HG13 VAL A 100 0.395 -7.281 -4.082 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -0.606 -10.166 -4.298 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -1.146 -8.823 -5.333 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -0.471 -10.296 -6.067 1.00 0.00 H new ATOM 1499 N ALA A 101 2.771 -6.363 -6.271 1.00 0.00 N ATOM 1500 CA ALA A 101 4.021 -5.695 -6.407 1.00 0.00 C ATOM 1501 C ALA A 101 4.390 -4.933 -5.165 1.00 0.00 C ATOM 1502 O ALA A 101 3.605 -4.812 -4.237 1.00 0.00 O ATOM 1503 CB ALA A 101 3.967 -4.770 -7.607 1.00 0.00 C ATOM 0 H ALA A 101 1.976 -5.749 -6.095 1.00 0.00 H new ATOM 0 HA ALA A 101 4.796 -6.447 -6.558 1.00 0.00 H new ATOM 0 HB1 ALA A 101 4.923 -4.257 -7.714 1.00 0.00 H new ATOM 0 HB2 ALA A 101 3.765 -5.352 -8.506 1.00 0.00 H new ATOM 0 HB3 ALA A 101 3.175 -4.035 -7.465 1.00 0.00 H new ATOM 1509 N ILE A 102 5.571 -4.402 -5.173 1.00 0.00 N ATOM 1510 CA ILE A 102 6.093 -3.641 -4.093 1.00 0.00 C ATOM 1511 C ILE A 102 6.532 -2.326 -4.664 1.00 0.00 C ATOM 1512 O ILE A 102 7.194 -2.310 -5.682 1.00 0.00 O ATOM 1513 CB ILE A 102 7.365 -4.272 -3.432 1.00 0.00 C ATOM 1514 CG1 ILE A 102 7.145 -5.644 -2.735 1.00 0.00 C ATOM 1515 CG2 ILE A 102 8.002 -3.270 -2.497 1.00 0.00 C ATOM 1516 CD1 ILE A 102 7.018 -6.837 -3.678 1.00 0.00 C ATOM 0 H ILE A 102 6.216 -4.491 -5.958 1.00 0.00 H new ATOM 0 HA ILE A 102 5.314 -3.576 -3.333 1.00 0.00 H new ATOM 0 HB ILE A 102 8.043 -4.505 -4.253 1.00 0.00 H new ATOM 0 HG12 ILE A 102 7.977 -5.826 -2.055 1.00 0.00 H new ATOM 0 HG13 ILE A 102 6.243 -5.584 -2.126 1.00 0.00 H new ATOM 0 HG21 ILE A 102 8.887 -3.712 -2.038 1.00 0.00 H new ATOM 0 HG22 ILE A 102 8.289 -2.381 -3.058 1.00 0.00 H new ATOM 0 HG23 ILE A 102 7.290 -2.994 -1.719 1.00 0.00 H new ATOM 0 HD11 ILE A 102 6.867 -7.746 -3.096 1.00 0.00 H new ATOM 0 HD12 ILE A 102 6.167 -6.686 -4.343 1.00 0.00 H new ATOM 0 HD13 ILE A 102 7.929 -6.932 -4.270 1.00 0.00 H new ATOM 1528 N TRP A 103 6.183 -1.255 -4.045 1.00 0.00 N ATOM 1529 CA TRP A 103 6.658 0.038 -4.498 1.00 0.00 C ATOM 1530 C TRP A 103 7.399 0.699 -3.404 1.00 0.00 C ATOM 1531 O TRP A 103 7.189 0.388 -2.224 1.00 0.00 O ATOM 1532 CB TRP A 103 5.537 0.974 -4.924 1.00 0.00 C ATOM 1533 CG TRP A 103 4.660 0.486 -6.016 1.00 0.00 C ATOM 1534 CD1 TRP A 103 4.907 -0.501 -6.905 1.00 0.00 C ATOM 1535 CD2 TRP A 103 3.395 1.008 -6.334 1.00 0.00 C ATOM 1536 NE1 TRP A 103 3.852 -0.655 -7.740 1.00 0.00 N ATOM 1537 CE2 TRP A 103 2.903 0.281 -7.418 1.00 0.00 C ATOM 1538 CE3 TRP A 103 2.628 2.026 -5.789 1.00 0.00 C ATOM 1539 CZ2 TRP A 103 1.665 0.537 -7.973 1.00 0.00 C ATOM 1540 CZ3 TRP A 103 1.402 2.292 -6.342 1.00 0.00 C ATOM 1541 CH2 TRP A 103 0.933 1.546 -7.425 1.00 0.00 C ATOM 0 H TRP A 103 5.575 -1.230 -3.227 1.00 0.00 H new ATOM 0 HA TRP A 103 7.290 -0.154 -5.365 1.00 0.00 H new ATOM 0 HB2 TRP A 103 4.916 1.184 -4.053 1.00 0.00 H new ATOM 0 HB3 TRP A 103 5.980 1.920 -5.236 1.00 0.00 H new ATOM 0 HD1 TRP A 103 5.816 -1.084 -6.944 1.00 0.00 H new ATOM 0 HE1 TRP A 103 3.776 -1.350 -8.483 1.00 0.00 H new ATOM 0 HE3 TRP A 103 2.989 2.598 -4.947 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 1.293 -0.039 -8.807 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 0.793 3.086 -5.936 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -0.037 1.776 -7.840 1.00 0.00 H new ATOM 1552 N LYS A 104 8.245 1.606 -3.762 1.00 0.00 N ATOM 1553 CA LYS A 104 8.894 2.382 -2.787 1.00 0.00 C ATOM 1554 C LYS A 104 8.180 3.690 -2.736 1.00 0.00 C ATOM 1555 O LYS A 104 8.113 4.402 -3.748 1.00 0.00 O ATOM 1556 CB LYS A 104 10.371 2.685 -3.106 1.00 0.00 C ATOM 1557 CG LYS A 104 11.032 3.405 -1.926 1.00 0.00 C ATOM 1558 CD LYS A 104 12.262 4.248 -2.265 1.00 0.00 C ATOM 1559 CE LYS A 104 12.716 5.009 -1.000 1.00 0.00 C ATOM 1560 NZ LYS A 104 13.844 5.952 -1.228 1.00 0.00 N ATOM 0 H LYS A 104 8.496 1.820 -4.727 1.00 0.00 H new ATOM 0 HA LYS A 104 8.875 1.820 -1.853 1.00 0.00 H new ATOM 0 HB2 LYS A 104 10.902 1.757 -3.319 1.00 0.00 H new ATOM 0 HB3 LYS A 104 10.438 3.303 -4.002 1.00 0.00 H new ATOM 0 HG2 LYS A 104 10.290 4.051 -1.457 1.00 0.00 H new ATOM 0 HG3 LYS A 104 11.319 2.659 -1.185 1.00 0.00 H new ATOM 0 HD2 LYS A 104 13.067 3.610 -2.629 1.00 0.00 H new ATOM 0 HD3 LYS A 104 12.027 4.952 -3.064 1.00 0.00 H new ATOM 0 HE2 LYS A 104 11.868 5.565 -0.600 1.00 0.00 H new ATOM 0 HE3 LYS A 104 13.010 4.285 -0.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 14.391 6.057 -0.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 14.461 5.580 -1.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 13.469 6.879 -1.515 1.00 0.00 H new ATOM 1574 N ALA A 105 7.582 3.981 -1.622 1.00 0.00 N ATOM 1575 CA ALA A 105 7.075 5.298 -1.410 1.00 0.00 C ATOM 1576 C ALA A 105 8.307 6.176 -1.292 1.00 0.00 C ATOM 1577 O ALA A 105 9.108 6.005 -0.374 1.00 0.00 O ATOM 1578 CB ALA A 105 6.206 5.347 -0.167 1.00 0.00 C ATOM 0 H ALA A 105 7.435 3.329 -0.852 1.00 0.00 H new ATOM 0 HA ALA A 105 6.430 5.636 -2.221 1.00 0.00 H new ATOM 0 HB1 ALA A 105 5.831 6.360 -0.025 1.00 0.00 H new ATOM 0 HB2 ALA A 105 5.366 4.662 -0.283 1.00 0.00 H new ATOM 0 HB3 ALA A 105 6.796 5.054 0.701 1.00 0.00 H new ATOM 1584 N LEU A 106 8.516 7.008 -2.271 1.00 0.00 N ATOM 1585 CA LEU A 106 9.732 7.749 -2.397 1.00 0.00 C ATOM 1586 C LEU A 106 9.878 8.807 -1.331 1.00 0.00 C ATOM 1587 O LEU A 106 9.362 9.921 -1.447 1.00 0.00 O ATOM 1588 CB LEU A 106 9.839 8.369 -3.798 1.00 0.00 C ATOM 1589 CG LEU A 106 11.141 9.106 -4.135 1.00 0.00 C ATOM 1590 CD1 LEU A 106 12.308 8.134 -4.229 1.00 0.00 C ATOM 1591 CD2 LEU A 106 10.990 9.894 -5.425 1.00 0.00 C ATOM 0 H LEU A 106 7.838 7.191 -3.011 1.00 0.00 H new ATOM 0 HA LEU A 106 10.553 7.046 -2.256 1.00 0.00 H new ATOM 0 HB2 LEU A 106 9.700 7.575 -4.532 1.00 0.00 H new ATOM 0 HB3 LEU A 106 9.012 9.068 -3.923 1.00 0.00 H new ATOM 0 HG LEU A 106 11.353 9.807 -3.328 1.00 0.00 H new ATOM 0 HD11 LEU A 106 13.219 8.682 -4.469 1.00 0.00 H new ATOM 0 HD12 LEU A 106 12.433 7.622 -3.275 1.00 0.00 H new ATOM 0 HD13 LEU A 106 12.109 7.401 -5.011 1.00 0.00 H new ATOM 0 HD21 LEU A 106 11.924 10.410 -5.648 1.00 0.00 H new ATOM 0 HD22 LEU A 106 10.748 9.213 -6.241 1.00 0.00 H new ATOM 0 HD23 LEU A 106 10.189 10.625 -5.313 1.00 0.00 H new ATOM 1748 N PHE A 117 16.161 -0.277 -2.534 1.00 0.00 N ATOM 1749 CA PHE A 117 15.421 -1.447 -2.283 1.00 0.00 C ATOM 1750 C PHE A 117 15.270 -2.134 -3.594 1.00 0.00 C ATOM 1751 O PHE A 117 14.528 -1.671 -4.462 1.00 0.00 O ATOM 1752 CB PHE A 117 14.056 -1.082 -1.698 1.00 0.00 C ATOM 1753 CG PHE A 117 14.148 -0.276 -0.435 1.00 0.00 C ATOM 1754 CD1 PHE A 117 14.277 -0.905 0.774 1.00 0.00 C ATOM 1755 CD2 PHE A 117 14.124 1.110 -0.465 1.00 0.00 C ATOM 1756 CE1 PHE A 117 14.381 -0.183 1.946 1.00 0.00 C ATOM 1757 CE2 PHE A 117 14.232 1.841 0.700 1.00 0.00 C ATOM 1758 CZ PHE A 117 14.360 1.189 1.906 1.00 0.00 C ATOM 0 HA PHE A 117 15.919 -2.095 -1.562 1.00 0.00 H new ATOM 0 HB2 PHE A 117 13.489 -0.519 -2.440 1.00 0.00 H new ATOM 0 HB3 PHE A 117 13.498 -1.997 -1.497 1.00 0.00 H new ATOM 0 HD1 PHE A 117 14.298 -1.984 0.812 1.00 0.00 H new ATOM 0 HD2 PHE A 117 14.020 1.622 -1.410 1.00 0.00 H new ATOM 0 HE1 PHE A 117 14.479 -0.696 2.891 1.00 0.00 H new ATOM 0 HE2 PHE A 117 14.216 2.920 0.666 1.00 0.00 H new ATOM 0 HZ PHE A 117 14.444 1.757 2.821 1.00 0.00 H new ATOM 1768 N GLN A 118 16.051 -3.151 -3.789 1.00 0.00 N ATOM 1769 CA GLN A 118 16.011 -3.848 -5.016 1.00 0.00 C ATOM 1770 C GLN A 118 14.804 -4.662 -5.197 1.00 0.00 C ATOM 1771 O GLN A 118 14.323 -5.340 -4.281 1.00 0.00 O ATOM 1772 CB GLN A 118 17.259 -4.610 -5.352 1.00 0.00 C ATOM 1773 CG GLN A 118 18.227 -3.788 -6.169 1.00 0.00 C ATOM 1774 CD GLN A 118 19.487 -4.538 -6.546 1.00 0.00 C ATOM 1775 OE1 GLN A 118 19.382 -5.834 -6.709 1.00 0.00 O flip ATOM 1776 NE2 GLN A 118 20.552 -3.940 -6.704 1.00 0.00 N flip ATOM 0 H GLN A 118 16.721 -3.509 -3.108 1.00 0.00 H new ATOM 0 HA GLN A 118 15.958 -3.046 -5.752 1.00 0.00 H new ATOM 0 HB2 GLN A 118 17.745 -4.932 -4.431 1.00 0.00 H new ATOM 0 HB3 GLN A 118 16.994 -5.512 -5.904 1.00 0.00 H new ATOM 0 HG2 GLN A 118 17.728 -3.451 -7.078 1.00 0.00 H new ATOM 0 HG3 GLN A 118 18.500 -2.896 -5.605 1.00 0.00 H new ATOM 0 HE21 GLN A 118 20.595 -2.930 -6.568 1.00 0.00 H new ATOM 0 HE22 GLN A 118 21.391 -4.455 -6.971 1.00 0.00 H new ATOM 1785 N HIS A 119 14.322 -4.545 -6.384 1.00 0.00 N ATOM 1786 CA HIS A 119 13.162 -5.176 -6.864 1.00 0.00 C ATOM 1787 C HIS A 119 11.904 -4.481 -6.427 1.00 0.00 C ATOM 1788 O HIS A 119 10.868 -5.116 -6.181 1.00 0.00 O ATOM 1789 CB HIS A 119 13.123 -6.706 -6.695 1.00 0.00 C ATOM 1790 CG HIS A 119 13.948 -7.417 -7.719 1.00 0.00 C ATOM 1791 ND1 HIS A 119 14.860 -8.400 -7.441 1.00 0.00 N ATOM 1792 CD2 HIS A 119 13.944 -7.285 -9.067 1.00 0.00 C ATOM 1793 CE1 HIS A 119 15.373 -8.827 -8.593 1.00 0.00 C ATOM 1794 NE2 HIS A 119 14.847 -8.180 -9.620 1.00 0.00 N ATOM 0 H HIS A 119 14.768 -3.960 -7.091 1.00 0.00 H new ATOM 0 HA HIS A 119 13.216 -5.057 -7.946 1.00 0.00 H new ATOM 0 HB2 HIS A 119 13.481 -6.967 -5.699 1.00 0.00 H new ATOM 0 HB3 HIS A 119 12.091 -7.049 -6.763 1.00 0.00 H new ATOM 0 HD1 HIS A 119 15.104 -8.745 -6.513 1.00 0.00 H new ATOM 0 HD2 HIS A 119 13.333 -6.591 -9.624 1.00 0.00 H new ATOM 0 HE1 HIS A 119 16.121 -9.601 -8.678 1.00 0.00 H new ATOM 1802 N VAL A 120 11.975 -3.167 -6.306 1.00 0.00 N ATOM 1803 CA VAL A 120 10.753 -2.429 -6.172 1.00 0.00 C ATOM 1804 C VAL A 120 10.184 -2.295 -7.561 1.00 0.00 C ATOM 1805 O VAL A 120 10.923 -2.086 -8.542 1.00 0.00 O ATOM 1806 CB VAL A 120 10.839 -1.031 -5.457 1.00 0.00 C ATOM 1807 CG1 VAL A 120 11.334 -1.156 -4.042 1.00 0.00 C ATOM 1808 CG2 VAL A 120 11.644 -0.002 -6.232 1.00 0.00 C ATOM 0 H VAL A 120 12.833 -2.616 -6.299 1.00 0.00 H new ATOM 0 HA VAL A 120 10.111 -2.990 -5.493 1.00 0.00 H new ATOM 0 HB VAL A 120 9.816 -0.656 -5.426 1.00 0.00 H new ATOM 0 HG11 VAL A 120 11.379 -0.168 -3.584 1.00 0.00 H new ATOM 0 HG12 VAL A 120 10.653 -1.789 -3.473 1.00 0.00 H new ATOM 0 HG13 VAL A 120 12.329 -1.601 -4.043 1.00 0.00 H new ATOM 0 HG21 VAL A 120 11.661 0.938 -5.680 1.00 0.00 H new ATOM 0 HG22 VAL A 120 12.664 -0.363 -6.365 1.00 0.00 H new ATOM 0 HG23 VAL A 120 11.186 0.159 -7.208 1.00 0.00 H new ATOM 1818 N ASP A 121 8.925 -2.469 -7.660 1.00 0.00 N ATOM 1819 CA ASP A 121 8.247 -2.488 -8.954 1.00 0.00 C ATOM 1820 C ASP A 121 8.178 -1.109 -9.572 1.00 0.00 C ATOM 1821 O ASP A 121 8.545 -0.912 -10.730 1.00 0.00 O ATOM 1822 CB ASP A 121 6.857 -3.091 -8.800 1.00 0.00 C ATOM 1823 CG ASP A 121 5.983 -2.926 -10.018 1.00 0.00 C ATOM 1824 OD1 ASP A 121 6.239 -3.576 -11.041 1.00 0.00 O ATOM 1825 OD2 ASP A 121 5.024 -2.150 -9.958 1.00 0.00 O ATOM 0 H ASP A 121 8.306 -2.606 -6.861 1.00 0.00 H new ATOM 0 HA ASP A 121 8.829 -3.110 -9.634 1.00 0.00 H new ATOM 0 HB2 ASP A 121 6.955 -4.153 -8.576 1.00 0.00 H new ATOM 0 HB3 ASP A 121 6.363 -2.629 -7.945 1.00 0.00 H new ATOM 1830 N LYS A 122 7.767 -0.169 -8.778 1.00 0.00 N ATOM 1831 CA LYS A 122 7.578 1.203 -9.178 1.00 0.00 C ATOM 1832 C LYS A 122 7.813 2.049 -7.968 1.00 0.00 C ATOM 1833 O LYS A 122 7.856 1.520 -6.853 1.00 0.00 O ATOM 1834 CB LYS A 122 6.139 1.474 -9.743 1.00 0.00 C ATOM 1835 CG LYS A 122 5.858 0.830 -11.100 1.00 0.00 C ATOM 1836 CD LYS A 122 4.542 1.278 -11.692 1.00 0.00 C ATOM 1837 CE LYS A 122 3.388 0.572 -11.038 1.00 0.00 C ATOM 1838 NZ LYS A 122 3.316 -0.852 -11.413 1.00 0.00 N ATOM 0 H LYS A 122 7.544 -0.336 -7.797 1.00 0.00 H new ATOM 0 HA LYS A 122 8.274 1.439 -9.983 1.00 0.00 H new ATOM 0 HB2 LYS A 122 5.406 1.110 -9.024 1.00 0.00 H new ATOM 0 HB3 LYS A 122 5.993 2.551 -9.829 1.00 0.00 H new ATOM 0 HG2 LYS A 122 6.665 1.076 -11.790 1.00 0.00 H new ATOM 0 HG3 LYS A 122 5.853 -0.254 -10.990 1.00 0.00 H new ATOM 0 HD2 LYS A 122 4.431 2.355 -11.568 1.00 0.00 H new ATOM 0 HD3 LYS A 122 4.535 1.078 -12.764 1.00 0.00 H new ATOM 0 HE2 LYS A 122 3.481 0.656 -9.955 1.00 0.00 H new ATOM 0 HE3 LYS A 122 2.458 1.066 -11.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 2.334 -1.184 -11.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 3.638 -0.969 -12.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 3.925 -1.409 -10.780 1.00 0.00 H new ATOM 1852 N TYR A 123 8.039 3.303 -8.151 1.00 0.00 N ATOM 1853 CA TYR A 123 8.126 4.173 -7.027 1.00 0.00 C ATOM 1854 C TYR A 123 6.938 5.099 -7.053 1.00 0.00 C ATOM 1855 O TYR A 123 6.400 5.413 -8.125 1.00 0.00 O ATOM 1856 CB TYR A 123 9.465 4.930 -6.942 1.00 0.00 C ATOM 1857 CG TYR A 123 9.659 5.973 -7.979 1.00 0.00 C ATOM 1858 CD1 TYR A 123 10.081 5.644 -9.238 1.00 0.00 C ATOM 1859 CD2 TYR A 123 9.408 7.293 -7.691 1.00 0.00 C ATOM 1860 CE1 TYR A 123 10.248 6.597 -10.193 1.00 0.00 C ATOM 1861 CE2 TYR A 123 9.566 8.257 -8.630 1.00 0.00 C ATOM 1862 CZ TYR A 123 9.991 7.911 -9.889 1.00 0.00 C ATOM 1863 OH TYR A 123 10.145 8.885 -10.859 1.00 0.00 O ATOM 0 H TYR A 123 8.166 3.748 -9.060 1.00 0.00 H new ATOM 0 HA TYR A 123 8.102 3.573 -6.117 1.00 0.00 H new ATOM 0 HB2 TYR A 123 9.540 5.396 -5.960 1.00 0.00 H new ATOM 0 HB3 TYR A 123 10.279 4.209 -7.016 1.00 0.00 H new ATOM 0 HD1 TYR A 123 10.285 4.611 -9.477 1.00 0.00 H new ATOM 0 HD2 TYR A 123 9.079 7.567 -6.699 1.00 0.00 H new ATOM 0 HE1 TYR A 123 10.580 6.323 -11.183 1.00 0.00 H new ATOM 0 HE2 TYR A 123 9.359 9.290 -8.390 1.00 0.00 H new ATOM 0 HH TYR A 123 9.922 9.761 -10.481 1.00 0.00 H new ATOM 1873 N VAL A 124 6.510 5.491 -5.921 1.00 0.00 N ATOM 1874 CA VAL A 124 5.369 6.346 -5.773 1.00 0.00 C ATOM 1875 C VAL A 124 5.779 7.429 -4.792 1.00 0.00 C ATOM 1876 O VAL A 124 6.905 7.405 -4.333 1.00 0.00 O ATOM 1877 CB VAL A 124 4.143 5.497 -5.282 1.00 0.00 C ATOM 1878 CG1 VAL A 124 4.392 4.853 -3.932 1.00 0.00 C ATOM 1879 CG2 VAL A 124 2.818 6.253 -5.302 1.00 0.00 C ATOM 0 H VAL A 124 6.944 5.228 -5.037 1.00 0.00 H new ATOM 0 HA VAL A 124 5.057 6.809 -6.709 1.00 0.00 H new ATOM 0 HB VAL A 124 4.043 4.699 -6.018 1.00 0.00 H new ATOM 0 HG11 VAL A 124 3.515 4.277 -3.636 1.00 0.00 H new ATOM 0 HG12 VAL A 124 5.255 4.191 -3.998 1.00 0.00 H new ATOM 0 HG13 VAL A 124 4.585 5.627 -3.189 1.00 0.00 H new ATOM 0 HG21 VAL A 124 2.021 5.599 -4.949 1.00 0.00 H new ATOM 0 HG22 VAL A 124 2.887 7.125 -4.652 1.00 0.00 H new ATOM 0 HG23 VAL A 124 2.599 6.576 -6.320 1.00 0.00 H new ATOM 1889 N LEU A 125 4.927 8.364 -4.493 1.00 0.00 N ATOM 1890 CA LEU A 125 5.291 9.422 -3.553 1.00 0.00 C ATOM 1891 C LEU A 125 5.308 8.872 -2.133 1.00 0.00 C ATOM 1892 O LEU A 125 4.788 7.781 -1.885 1.00 0.00 O ATOM 1893 CB LEU A 125 4.365 10.664 -3.628 1.00 0.00 C ATOM 1894 CG LEU A 125 2.879 10.485 -3.242 1.00 0.00 C ATOM 1895 CD1 LEU A 125 2.284 11.828 -2.878 1.00 0.00 C ATOM 1896 CD2 LEU A 125 2.075 9.902 -4.395 1.00 0.00 C ATOM 0 H LEU A 125 3.983 8.430 -4.872 1.00 0.00 H new ATOM 0 HA LEU A 125 6.286 9.761 -3.840 1.00 0.00 H new ATOM 0 HB2 LEU A 125 4.787 11.435 -2.983 1.00 0.00 H new ATOM 0 HB3 LEU A 125 4.401 11.047 -4.648 1.00 0.00 H new ATOM 0 HG LEU A 125 2.835 9.800 -2.395 1.00 0.00 H new ATOM 0 HD11 LEU A 125 1.236 11.700 -2.606 1.00 0.00 H new ATOM 0 HD12 LEU A 125 2.829 12.251 -2.034 1.00 0.00 H new ATOM 0 HD13 LEU A 125 2.358 12.502 -3.731 1.00 0.00 H new ATOM 0 HD21 LEU A 125 1.034 9.788 -4.092 1.00 0.00 H new ATOM 0 HD22 LEU A 125 2.132 10.571 -5.253 1.00 0.00 H new ATOM 0 HD23 LEU A 125 2.482 8.928 -4.667 1.00 0.00 H new