USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 573 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 19 GLN : amide:sc= -0.014 K(o=-0.035,f=-3.7!) USER MOD Set 1.2: B 20 ASN :FLIP amide:sc= -0.0209 F(o=-1.3,f=-0.035) USER MOD Single : A 3 SER OG : rot 34:sc= 0.218 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0.0155 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 73:sc= 1.23 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 20 ASN : amide:sc= 1.12 K(o=1.1,f=-0.012) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 25 ASN : amide:sc= -1.75 K(o=-1.7,f=-5.2!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00815) USER MOD Single : B 4 SER OG : rot 26:sc= 0.117 USER MOD Single : B 5 SER OG : rot 180:sc= 0.0354 USER MOD Single : B 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 SER OG : rot 72:sc= 1.39 USER MOD Single : B 17 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : B 19 GLN :FLIP amide:sc= -0.174 F(o=-2.1!,f=-0.17) USER MOD Single : B 21 TYR OH : rot 180:sc= 0 USER MOD Single : B 22 HIS : no HE2:sc= 1.13 K(o=1.1,f=-5.4!) USER MOD Single : B 25 ASN : amide:sc= 0 X(o=0,f=-0.04) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00767) USER MOD ----------------------------------------------------------------- ATOM 24 N SER A 3 -25.719 10.355 0.842 1.00 0.00 N ATOM 25 CA SER A 3 -24.857 11.516 0.664 1.00 0.00 C ATOM 26 C SER A 3 -23.586 11.373 1.494 1.00 0.00 C ATOM 27 O SER A 3 -22.473 11.482 0.975 1.00 0.00 O ATOM 28 CB SER A 3 -25.610 12.787 1.067 1.00 0.00 C ATOM 29 OG SER A 3 -26.878 12.847 0.433 1.00 0.00 O ATOM 0 HA SER A 3 -24.575 11.585 -0.387 1.00 0.00 H new ATOM 0 HB2 SER A 3 -25.739 12.811 2.149 1.00 0.00 H new ATOM 0 HB3 SER A 3 -25.022 13.664 0.797 1.00 0.00 H new ATOM 0 HG SER A 3 -27.236 11.940 0.332 1.00 0.00 H new ATOM 35 N SER A 4 -23.762 11.104 2.776 1.00 0.00 N ATOM 36 CA SER A 4 -22.640 10.931 3.681 1.00 0.00 C ATOM 37 C SER A 4 -21.891 9.642 3.361 1.00 0.00 C ATOM 38 O SER A 4 -20.669 9.633 3.257 1.00 0.00 O ATOM 39 CB SER A 4 -23.151 10.896 5.118 1.00 0.00 C ATOM 40 OG SER A 4 -24.101 11.927 5.336 1.00 0.00 O ATOM 0 H SER A 4 -24.677 11.000 3.215 1.00 0.00 H new ATOM 0 HA SER A 4 -21.952 11.767 3.560 1.00 0.00 H new ATOM 0 HB2 SER A 4 -23.605 9.927 5.325 1.00 0.00 H new ATOM 0 HB3 SER A 4 -22.316 11.011 5.809 1.00 0.00 H new ATOM 0 HG SER A 4 -24.419 11.888 6.262 1.00 0.00 H new ATOM 46 N SER A 5 -22.649 8.566 3.170 1.00 0.00 N ATOM 47 CA SER A 5 -22.088 7.236 2.958 1.00 0.00 C ATOM 48 C SER A 5 -21.078 7.216 1.812 1.00 0.00 C ATOM 49 O SER A 5 -19.956 6.727 1.968 1.00 0.00 O ATOM 50 CB SER A 5 -23.224 6.260 2.662 1.00 0.00 C ATOM 51 OG SER A 5 -24.280 6.423 3.597 1.00 0.00 O ATOM 0 H SER A 5 -23.669 8.592 3.158 1.00 0.00 H new ATOM 0 HA SER A 5 -21.558 6.942 3.864 1.00 0.00 H new ATOM 0 HB2 SER A 5 -23.598 6.424 1.651 1.00 0.00 H new ATOM 0 HB3 SER A 5 -22.851 5.237 2.702 1.00 0.00 H new ATOM 0 HG SER A 5 -25.000 5.791 3.391 1.00 0.00 H new ATOM 57 N LEU A 6 -21.476 7.760 0.667 1.00 0.00 N ATOM 58 CA LEU A 6 -20.645 7.720 -0.525 1.00 0.00 C ATOM 59 C LEU A 6 -19.358 8.514 -0.334 1.00 0.00 C ATOM 60 O LEU A 6 -18.275 8.031 -0.658 1.00 0.00 O ATOM 61 CB LEU A 6 -21.422 8.246 -1.734 1.00 0.00 C ATOM 62 CG LEU A 6 -22.655 7.425 -2.119 1.00 0.00 C ATOM 63 CD1 LEU A 6 -23.387 8.073 -3.282 1.00 0.00 C ATOM 64 CD2 LEU A 6 -22.259 5.998 -2.465 1.00 0.00 C ATOM 0 H LEU A 6 -22.371 8.234 0.542 1.00 0.00 H new ATOM 0 HA LEU A 6 -20.371 6.681 -0.706 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -21.736 9.269 -1.528 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -20.749 8.285 -2.590 1.00 0.00 H new ATOM 0 HG LEU A 6 -23.329 7.397 -1.263 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -24.260 7.475 -3.541 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -23.705 9.076 -2.998 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -22.721 8.134 -4.143 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -23.148 5.429 -2.736 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -21.564 6.007 -3.305 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -21.781 5.534 -1.603 1.00 0.00 H new ATOM 76 N GLU A 7 -19.471 9.721 0.209 1.00 0.00 N ATOM 77 CA GLU A 7 -18.301 10.574 0.391 1.00 0.00 C ATOM 78 C GLU A 7 -17.403 10.041 1.505 1.00 0.00 C ATOM 79 O GLU A 7 -16.183 10.212 1.467 1.00 0.00 O ATOM 80 CB GLU A 7 -18.712 12.015 0.700 1.00 0.00 C ATOM 81 CG GLU A 7 -19.565 12.655 -0.385 1.00 0.00 C ATOM 82 CD GLU A 7 -18.941 12.576 -1.768 1.00 0.00 C ATOM 83 OE1 GLU A 7 -17.776 12.996 -1.936 1.00 0.00 O ATOM 84 OE2 GLU A 7 -19.620 12.091 -2.697 1.00 0.00 O ATOM 0 H GLU A 7 -20.350 10.128 0.528 1.00 0.00 H new ATOM 0 HA GLU A 7 -17.742 10.564 -0.545 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -19.263 12.032 1.640 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -17.814 12.616 0.846 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -20.539 12.167 -0.406 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -19.738 13.701 -0.132 1.00 0.00 H new ATOM 91 N ALA A 8 -18.009 9.388 2.493 1.00 0.00 N ATOM 92 CA ALA A 8 -17.261 8.776 3.583 1.00 0.00 C ATOM 93 C ALA A 8 -16.317 7.710 3.046 1.00 0.00 C ATOM 94 O ALA A 8 -15.109 7.757 3.287 1.00 0.00 O ATOM 95 CB ALA A 8 -18.208 8.176 4.610 1.00 0.00 C ATOM 0 H ALA A 8 -19.020 9.270 2.559 1.00 0.00 H new ATOM 0 HA ALA A 8 -16.669 9.550 4.071 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -17.631 7.724 5.416 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -18.847 8.959 5.017 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -18.826 7.414 4.134 1.00 0.00 H new ATOM 101 N VAL A 9 -16.872 6.761 2.302 1.00 0.00 N ATOM 102 CA VAL A 9 -16.079 5.703 1.695 1.00 0.00 C ATOM 103 C VAL A 9 -15.100 6.292 0.682 1.00 0.00 C ATOM 104 O VAL A 9 -13.957 5.850 0.572 1.00 0.00 O ATOM 105 CB VAL A 9 -16.977 4.656 0.998 1.00 0.00 C ATOM 106 CG1 VAL A 9 -16.146 3.540 0.380 1.00 0.00 C ATOM 107 CG2 VAL A 9 -17.994 4.086 1.978 1.00 0.00 C ATOM 0 H VAL A 9 -17.871 6.704 2.105 1.00 0.00 H new ATOM 0 HA VAL A 9 -15.525 5.206 2.491 1.00 0.00 H new ATOM 0 HB VAL A 9 -17.514 5.158 0.193 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -16.806 2.819 -0.103 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -15.465 3.960 -0.360 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -15.571 3.040 1.160 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -18.617 3.351 1.469 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -17.472 3.608 2.807 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -18.622 4.891 2.360 1.00 0.00 H new ATOM 117 N ARG A 10 -15.562 7.312 -0.035 1.00 0.00 N ATOM 118 CA ARG A 10 -14.753 8.001 -1.034 1.00 0.00 C ATOM 119 C ARG A 10 -13.480 8.566 -0.408 1.00 0.00 C ATOM 120 O ARG A 10 -12.375 8.326 -0.891 1.00 0.00 O ATOM 121 CB ARG A 10 -15.570 9.134 -1.643 1.00 0.00 C ATOM 122 CG ARG A 10 -15.041 9.651 -2.966 1.00 0.00 C ATOM 123 CD ARG A 10 -15.823 10.872 -3.405 1.00 0.00 C ATOM 124 NE ARG A 10 -16.015 10.919 -4.852 1.00 0.00 N ATOM 125 CZ ARG A 10 -16.889 11.723 -5.454 1.00 0.00 C ATOM 126 NH1 ARG A 10 -17.631 12.559 -4.735 1.00 0.00 N ATOM 127 NH2 ARG A 10 -17.038 11.678 -6.771 1.00 0.00 N ATOM 0 H ARG A 10 -16.507 7.684 0.060 1.00 0.00 H new ATOM 0 HA ARG A 10 -14.467 7.288 -1.807 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -16.594 8.790 -1.785 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -15.607 9.960 -0.933 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -13.985 9.903 -2.870 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -15.115 8.872 -3.724 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -16.795 10.874 -2.912 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -15.299 11.771 -3.081 1.00 0.00 H new ATOM 0 HE ARG A 10 -15.448 10.302 -5.434 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -17.531 12.585 -3.720 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -18.300 13.174 -5.198 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -16.482 11.026 -7.325 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -17.708 12.295 -7.230 1.00 0.00 H new ATOM 141 N ARG A 11 -13.645 9.308 0.680 1.00 0.00 N ATOM 142 CA ARG A 11 -12.518 9.905 1.383 1.00 0.00 C ATOM 143 C ARG A 11 -11.650 8.823 2.020 1.00 0.00 C ATOM 144 O ARG A 11 -10.423 8.942 2.066 1.00 0.00 O ATOM 145 CB ARG A 11 -13.024 10.893 2.440 1.00 0.00 C ATOM 146 CG ARG A 11 -11.920 11.525 3.273 1.00 0.00 C ATOM 147 CD ARG A 11 -12.451 12.667 4.125 1.00 0.00 C ATOM 148 NE ARG A 11 -13.591 12.261 4.948 1.00 0.00 N ATOM 149 CZ ARG A 11 -14.695 12.997 5.098 1.00 0.00 C ATOM 150 NH1 ARG A 11 -14.789 14.187 4.512 1.00 0.00 N ATOM 151 NH2 ARG A 11 -15.696 12.551 5.848 1.00 0.00 N ATOM 0 H ARG A 11 -14.554 9.511 1.096 1.00 0.00 H new ATOM 0 HA ARG A 11 -11.903 10.450 0.666 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -13.588 11.683 1.944 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -13.716 10.376 3.105 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -11.469 10.769 3.916 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -11.133 11.895 2.616 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -11.654 13.038 4.769 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -12.748 13.493 3.478 1.00 0.00 H new ATOM 0 HE ARG A 11 -13.539 11.366 5.434 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -14.017 14.539 3.946 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -15.633 14.747 4.628 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -15.622 11.645 6.311 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -16.539 13.115 5.962 1.00 0.00 H new ATOM 165 N LYS A 12 -12.291 7.762 2.494 1.00 0.00 N ATOM 166 CA LYS A 12 -11.577 6.643 3.096 1.00 0.00 C ATOM 167 C LYS A 12 -10.645 5.986 2.079 1.00 0.00 C ATOM 168 O LYS A 12 -9.441 5.870 2.316 1.00 0.00 O ATOM 169 CB LYS A 12 -12.565 5.609 3.648 1.00 0.00 C ATOM 170 CG LYS A 12 -11.899 4.356 4.203 1.00 0.00 C ATOM 171 CD LYS A 12 -11.049 4.649 5.431 1.00 0.00 C ATOM 172 CE LYS A 12 -11.904 4.999 6.638 1.00 0.00 C ATOM 173 NZ LYS A 12 -11.091 5.141 7.874 1.00 0.00 N ATOM 0 H LYS A 12 -13.305 7.653 2.473 1.00 0.00 H new ATOM 0 HA LYS A 12 -10.976 7.029 3.919 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -13.159 6.072 4.436 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -13.256 5.321 2.855 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -12.665 3.624 4.460 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -11.275 3.907 3.431 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -10.432 3.780 5.662 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -10.370 5.474 5.215 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -12.438 5.930 6.446 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -12.657 4.224 6.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -11.713 5.380 8.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -10.601 4.245 8.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -10.389 5.898 7.743 1.00 0.00 H new ATOM 187 N ILE A 13 -11.194 5.571 0.941 1.00 0.00 N ATOM 188 CA ILE A 13 -10.400 4.890 -0.074 1.00 0.00 C ATOM 189 C ILE A 13 -9.354 5.823 -0.674 1.00 0.00 C ATOM 190 O ILE A 13 -8.262 5.387 -1.026 1.00 0.00 O ATOM 191 CB ILE A 13 -11.263 4.282 -1.204 1.00 0.00 C ATOM 192 CG1 ILE A 13 -12.076 5.363 -1.924 1.00 0.00 C ATOM 193 CG2 ILE A 13 -12.178 3.203 -0.638 1.00 0.00 C ATOM 194 CD1 ILE A 13 -12.877 4.844 -3.099 1.00 0.00 C ATOM 0 H ILE A 13 -12.178 5.693 0.701 1.00 0.00 H new ATOM 0 HA ILE A 13 -9.901 4.068 0.439 1.00 0.00 H new ATOM 0 HB ILE A 13 -10.597 3.828 -1.938 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -12.756 5.829 -1.210 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -11.398 6.142 -2.274 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -12.782 2.780 -1.441 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -11.575 2.416 -0.184 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -12.832 3.640 0.117 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -13.426 5.667 -3.557 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -12.202 4.404 -3.833 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -13.581 4.087 -2.754 1.00 0.00 H new ATOM 206 N ARG A 14 -9.683 7.112 -0.777 1.00 0.00 N ATOM 207 CA ARG A 14 -8.725 8.100 -1.258 1.00 0.00 C ATOM 208 C ARG A 14 -7.524 8.172 -0.321 1.00 0.00 C ATOM 209 O ARG A 14 -6.379 8.218 -0.767 1.00 0.00 O ATOM 210 CB ARG A 14 -9.371 9.487 -1.384 1.00 0.00 C ATOM 211 CG ARG A 14 -8.380 10.578 -1.775 1.00 0.00 C ATOM 212 CD ARG A 14 -7.781 10.335 -3.154 1.00 0.00 C ATOM 213 NE ARG A 14 -6.502 11.022 -3.327 1.00 0.00 N ATOM 214 CZ ARG A 14 -6.125 11.633 -4.449 1.00 0.00 C ATOM 215 NH1 ARG A 14 -6.970 11.753 -5.467 1.00 0.00 N ATOM 216 NH2 ARG A 14 -4.901 12.140 -4.544 1.00 0.00 N ATOM 0 H ARG A 14 -10.599 7.491 -0.535 1.00 0.00 H new ATOM 0 HA ARG A 14 -8.392 7.787 -2.247 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -10.166 9.444 -2.128 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -9.837 9.751 -0.435 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -8.882 11.545 -1.763 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -7.581 10.624 -1.035 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -7.640 9.265 -3.304 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -8.481 10.675 -3.918 1.00 0.00 H new ATOM 0 HE ARG A 14 -5.857 11.034 -2.537 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -7.915 11.376 -5.393 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -6.674 12.222 -6.323 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -4.254 12.061 -3.760 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -4.608 12.609 -5.401 1.00 0.00 H new ATOM 230 N SER A 15 -7.795 8.167 0.978 1.00 0.00 N ATOM 231 CA SER A 15 -6.736 8.205 1.972 1.00 0.00 C ATOM 232 C SER A 15 -5.901 6.927 1.910 1.00 0.00 C ATOM 233 O SER A 15 -4.675 6.969 2.004 1.00 0.00 O ATOM 234 CB SER A 15 -7.333 8.389 3.367 1.00 0.00 C ATOM 235 OG SER A 15 -8.147 9.549 3.418 1.00 0.00 O ATOM 0 H SER A 15 -8.738 8.137 1.365 1.00 0.00 H new ATOM 0 HA SER A 15 -6.083 9.051 1.758 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.924 7.513 3.633 1.00 0.00 H new ATOM 0 HB3 SER A 15 -6.532 8.469 4.102 1.00 0.00 H new ATOM 0 HG SER A 15 -8.979 9.387 2.926 1.00 0.00 H new ATOM 241 N LEU A 16 -6.575 5.793 1.724 1.00 0.00 N ATOM 242 CA LEU A 16 -5.895 4.510 1.600 1.00 0.00 C ATOM 243 C LEU A 16 -5.010 4.482 0.358 1.00 0.00 C ATOM 244 O LEU A 16 -3.875 4.007 0.406 1.00 0.00 O ATOM 245 CB LEU A 16 -6.913 3.367 1.539 1.00 0.00 C ATOM 246 CG LEU A 16 -7.767 3.181 2.795 1.00 0.00 C ATOM 247 CD1 LEU A 16 -8.756 2.042 2.604 1.00 0.00 C ATOM 248 CD2 LEU A 16 -6.883 2.923 4.007 1.00 0.00 C ATOM 0 H LEU A 16 -7.591 5.739 1.656 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.265 4.378 2.479 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -7.576 3.539 0.691 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -6.379 2.437 1.342 1.00 0.00 H new ATOM 0 HG LEU A 16 -8.329 4.099 2.968 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -9.355 1.925 3.507 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -9.410 2.266 1.762 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -8.213 1.118 2.406 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -7.507 2.793 4.891 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -6.294 2.021 3.842 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -6.214 3.770 4.156 1.00 0.00 H new ATOM 260 N GLN A 17 -5.529 4.995 -0.753 1.00 0.00 N ATOM 261 CA GLN A 17 -4.764 5.064 -1.994 1.00 0.00 C ATOM 262 C GLN A 17 -3.565 5.992 -1.837 1.00 0.00 C ATOM 263 O GLN A 17 -2.451 5.645 -2.227 1.00 0.00 O ATOM 264 CB GLN A 17 -5.648 5.535 -3.151 1.00 0.00 C ATOM 265 CG GLN A 17 -6.705 4.521 -3.558 1.00 0.00 C ATOM 266 CD GLN A 17 -7.616 5.020 -4.663 1.00 0.00 C ATOM 267 OE1 GLN A 17 -7.218 5.835 -5.496 1.00 0.00 O ATOM 268 NE2 GLN A 17 -8.844 4.528 -4.681 1.00 0.00 N ATOM 0 H GLN A 17 -6.476 5.369 -0.820 1.00 0.00 H new ATOM 0 HA GLN A 17 -4.401 4.062 -2.221 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -6.139 6.466 -2.867 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -5.018 5.757 -4.012 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -6.214 3.605 -3.887 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -7.308 4.264 -2.687 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -9.134 3.854 -3.972 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -9.501 4.822 -5.404 1.00 0.00 H new ATOM 277 N GLU A 18 -3.800 7.158 -1.244 1.00 0.00 N ATOM 278 CA GLU A 18 -2.746 8.140 -1.015 1.00 0.00 C ATOM 279 C GLU A 18 -1.647 7.536 -0.142 1.00 0.00 C ATOM 280 O GLU A 18 -0.454 7.678 -0.430 1.00 0.00 O ATOM 281 CB GLU A 18 -3.331 9.379 -0.333 1.00 0.00 C ATOM 282 CG GLU A 18 -2.467 10.619 -0.464 1.00 0.00 C ATOM 283 CD GLU A 18 -2.411 11.130 -1.888 1.00 0.00 C ATOM 284 OE1 GLU A 18 -3.360 11.831 -2.309 1.00 0.00 O ATOM 285 OE2 GLU A 18 -1.423 10.840 -2.589 1.00 0.00 O ATOM 0 H GLU A 18 -4.720 7.448 -0.911 1.00 0.00 H new ATOM 0 HA GLU A 18 -2.316 8.429 -1.974 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -4.313 9.586 -0.758 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.481 9.163 0.725 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.858 11.402 0.186 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.457 10.394 -0.121 1.00 0.00 H new ATOM 292 N GLN A 19 -2.068 6.857 0.923 1.00 0.00 N ATOM 293 CA GLN A 19 -1.147 6.160 1.807 1.00 0.00 C ATOM 294 C GLN A 19 -0.336 5.131 1.026 1.00 0.00 C ATOM 295 O GLN A 19 0.885 5.079 1.142 1.00 0.00 O ATOM 296 CB GLN A 19 -1.915 5.458 2.928 1.00 0.00 C ATOM 297 CG GLN A 19 -1.018 4.807 3.965 1.00 0.00 C ATOM 298 CD GLN A 19 -1.753 3.785 4.805 1.00 0.00 C ATOM 299 OE1 GLN A 19 -1.797 2.608 4.461 1.00 0.00 O ATOM 300 NE2 GLN A 19 -2.336 4.222 5.908 1.00 0.00 N ATOM 0 H GLN A 19 -3.048 6.777 1.193 1.00 0.00 H new ATOM 0 HA GLN A 19 -0.469 6.895 2.241 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -2.562 6.183 3.423 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -2.563 4.698 2.492 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -0.179 4.325 3.464 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -0.602 5.576 4.616 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -2.277 5.209 6.160 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -2.845 3.573 6.507 1.00 0.00 H new ATOM 309 N ASN A 20 -1.031 4.332 0.222 1.00 0.00 N ATOM 310 CA ASN A 20 -0.396 3.297 -0.593 1.00 0.00 C ATOM 311 C ASN A 20 0.702 3.879 -1.471 1.00 0.00 C ATOM 312 O ASN A 20 1.813 3.354 -1.503 1.00 0.00 O ATOM 313 CB ASN A 20 -1.434 2.584 -1.467 1.00 0.00 C ATOM 314 CG ASN A 20 -1.957 1.305 -0.838 1.00 0.00 C ATOM 315 OD1 ASN A 20 -1.430 0.219 -1.082 1.00 0.00 O ATOM 316 ND2 ASN A 20 -2.997 1.421 -0.025 1.00 0.00 N ATOM 0 H ASN A 20 -2.044 4.381 0.116 1.00 0.00 H new ATOM 0 HA ASN A 20 0.054 2.575 0.088 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -2.269 3.259 -1.654 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -0.989 2.352 -2.435 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -3.388 0.593 0.424 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -3.406 2.338 0.152 1.00 0.00 H new ATOM 323 N TYR A 21 0.392 4.973 -2.161 1.00 0.00 N ATOM 324 CA TYR A 21 1.369 5.629 -3.025 1.00 0.00 C ATOM 325 C TYR A 21 2.604 6.027 -2.228 1.00 0.00 C ATOM 326 O TYR A 21 3.738 5.775 -2.644 1.00 0.00 O ATOM 327 CB TYR A 21 0.772 6.877 -3.687 1.00 0.00 C ATOM 328 CG TYR A 21 -0.410 6.603 -4.590 1.00 0.00 C ATOM 329 CD1 TYR A 21 -0.425 5.506 -5.445 1.00 0.00 C ATOM 330 CD2 TYR A 21 -1.514 7.447 -4.588 1.00 0.00 C ATOM 331 CE1 TYR A 21 -1.508 5.258 -6.267 1.00 0.00 C ATOM 332 CE2 TYR A 21 -2.597 7.207 -5.407 1.00 0.00 C ATOM 333 CZ TYR A 21 -2.590 6.113 -6.245 1.00 0.00 C ATOM 334 OH TYR A 21 -3.667 5.876 -7.066 1.00 0.00 O ATOM 0 H TYR A 21 -0.523 5.422 -2.139 1.00 0.00 H new ATOM 0 HA TYR A 21 1.650 4.918 -3.802 1.00 0.00 H new ATOM 0 HB2 TYR A 21 0.464 7.574 -2.908 1.00 0.00 H new ATOM 0 HB3 TYR A 21 1.550 7.372 -4.268 1.00 0.00 H new ATOM 0 HD1 TYR A 21 0.423 4.838 -5.467 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -1.524 8.306 -3.933 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.507 4.400 -6.923 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -3.447 7.873 -5.392 1.00 0.00 H new ATOM 0 HH TYR A 21 -4.344 6.571 -6.927 1.00 0.00 H new ATOM 344 N HIS A 22 2.377 6.633 -1.069 1.00 0.00 N ATOM 345 CA HIS A 22 3.472 7.115 -0.248 1.00 0.00 C ATOM 346 C HIS A 22 4.236 5.956 0.386 1.00 0.00 C ATOM 347 O HIS A 22 5.434 6.049 0.593 1.00 0.00 O ATOM 348 CB HIS A 22 2.969 8.065 0.837 1.00 0.00 C ATOM 349 CG HIS A 22 4.048 8.938 1.396 1.00 0.00 C ATOM 350 ND1 HIS A 22 4.655 8.713 2.611 1.00 0.00 N ATOM 351 CD2 HIS A 22 4.624 10.052 0.891 1.00 0.00 C ATOM 352 CE1 HIS A 22 5.559 9.648 2.828 1.00 0.00 C ATOM 353 NE2 HIS A 22 5.557 10.473 1.799 1.00 0.00 N ATOM 0 H HIS A 22 1.449 6.800 -0.681 1.00 0.00 H new ATOM 0 HA HIS A 22 4.152 7.662 -0.901 1.00 0.00 H new ATOM 0 HB2 HIS A 22 2.179 8.692 0.425 1.00 0.00 H new ATOM 0 HB3 HIS A 22 2.525 7.483 1.645 1.00 0.00 H new ATOM 0 HD2 HIS A 22 4.391 10.522 -0.053 1.00 0.00 H new ATOM 0 HE1 HIS A 22 6.193 9.725 3.699 1.00 0.00 H new ATOM 0 HE2 HIS A 22 6.155 11.293 1.697 1.00 0.00 H new ATOM 362 N LEU A 23 3.541 4.871 0.696 1.00 0.00 N ATOM 363 CA LEU A 23 4.189 3.693 1.266 1.00 0.00 C ATOM 364 C LEU A 23 5.101 3.035 0.240 1.00 0.00 C ATOM 365 O LEU A 23 6.209 2.604 0.563 1.00 0.00 O ATOM 366 CB LEU A 23 3.154 2.681 1.761 1.00 0.00 C ATOM 367 CG LEU A 23 2.356 3.105 2.995 1.00 0.00 C ATOM 368 CD1 LEU A 23 1.353 2.026 3.370 1.00 0.00 C ATOM 369 CD2 LEU A 23 3.291 3.394 4.161 1.00 0.00 C ATOM 0 H LEU A 23 2.534 4.779 0.564 1.00 0.00 H new ATOM 0 HA LEU A 23 4.787 4.022 2.116 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.455 2.477 0.950 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.665 1.745 1.985 1.00 0.00 H new ATOM 0 HG LEU A 23 1.810 4.019 2.759 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.792 2.341 4.250 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.665 1.864 2.540 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.882 1.098 3.590 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.706 3.694 5.030 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.862 2.497 4.400 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.975 4.198 3.888 1.00 0.00 H new ATOM 381 N GLU A 24 4.630 2.971 -1.000 1.00 0.00 N ATOM 382 CA GLU A 24 5.407 2.383 -2.082 1.00 0.00 C ATOM 383 C GLU A 24 6.671 3.192 -2.344 1.00 0.00 C ATOM 384 O GLU A 24 7.761 2.633 -2.468 1.00 0.00 O ATOM 385 CB GLU A 24 4.568 2.283 -3.355 1.00 0.00 C ATOM 386 CG GLU A 24 3.436 1.273 -3.255 1.00 0.00 C ATOM 387 CD GLU A 24 2.606 1.195 -4.518 1.00 0.00 C ATOM 388 OE1 GLU A 24 3.192 1.048 -5.609 1.00 0.00 O ATOM 389 OE2 GLU A 24 1.363 1.260 -4.429 1.00 0.00 O ATOM 0 H GLU A 24 3.713 3.320 -1.280 1.00 0.00 H new ATOM 0 HA GLU A 24 5.700 1.378 -1.779 1.00 0.00 H new ATOM 0 HB2 GLU A 24 4.151 3.264 -3.584 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.216 2.010 -4.188 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.851 0.289 -3.037 1.00 0.00 H new ATOM 0 HG3 GLU A 24 2.791 1.539 -2.418 1.00 0.00 H new ATOM 396 N ASN A 25 6.537 4.513 -2.412 1.00 0.00 N ATOM 397 CA ASN A 25 7.698 5.359 -2.651 1.00 0.00 C ATOM 398 C ASN A 25 8.549 5.471 -1.389 1.00 0.00 C ATOM 399 O ASN A 25 9.732 5.797 -1.460 1.00 0.00 O ATOM 400 CB ASN A 25 7.295 6.744 -3.202 1.00 0.00 C ATOM 401 CG ASN A 25 6.584 7.663 -2.215 1.00 0.00 C ATOM 402 OD1 ASN A 25 6.919 7.739 -1.035 1.00 0.00 O ATOM 403 ND2 ASN A 25 5.579 8.370 -2.705 1.00 0.00 N ATOM 0 H ASN A 25 5.654 5.012 -2.307 1.00 0.00 H new ATOM 0 HA ASN A 25 8.306 4.886 -3.422 1.00 0.00 H new ATOM 0 HB2 ASN A 25 8.193 7.249 -3.559 1.00 0.00 H new ATOM 0 HB3 ASN A 25 6.647 6.597 -4.066 1.00 0.00 H new ATOM 0 HD21 ASN A 25 5.056 9.002 -2.098 1.00 0.00 H new ATOM 0 HD22 ASN A 25 5.327 8.283 -3.690 1.00 0.00 H new ATOM 410 N GLU A 26 7.952 5.172 -0.239 1.00 0.00 N ATOM 411 CA GLU A 26 8.675 5.180 1.025 1.00 0.00 C ATOM 412 C GLU A 26 9.722 4.073 1.030 1.00 0.00 C ATOM 413 O GLU A 26 10.914 4.331 1.202 1.00 0.00 O ATOM 414 CB GLU A 26 7.716 4.979 2.198 1.00 0.00 C ATOM 415 CG GLU A 26 8.333 5.271 3.553 1.00 0.00 C ATOM 416 CD GLU A 26 8.504 6.755 3.810 1.00 0.00 C ATOM 417 OE1 GLU A 26 9.302 7.405 3.105 1.00 0.00 O ATOM 418 OE2 GLU A 26 7.829 7.280 4.723 1.00 0.00 O ATOM 0 H GLU A 26 6.967 4.921 -0.158 1.00 0.00 H new ATOM 0 HA GLU A 26 9.165 6.148 1.134 1.00 0.00 H new ATOM 0 HB2 GLU A 26 6.847 5.623 2.059 1.00 0.00 H new ATOM 0 HB3 GLU A 26 7.356 3.950 2.188 1.00 0.00 H new ATOM 0 HG2 GLU A 26 7.705 4.841 4.334 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.304 4.781 3.619 1.00 0.00 H new ATOM 425 N VAL A 27 9.272 2.839 0.816 1.00 0.00 N ATOM 426 CA VAL A 27 10.177 1.699 0.779 1.00 0.00 C ATOM 427 C VAL A 27 11.140 1.826 -0.404 1.00 0.00 C ATOM 428 O VAL A 27 12.303 1.428 -0.315 1.00 0.00 O ATOM 429 CB VAL A 27 9.415 0.351 0.722 1.00 0.00 C ATOM 430 CG1 VAL A 27 8.570 0.236 -0.539 1.00 0.00 C ATOM 431 CG2 VAL A 27 10.381 -0.821 0.838 1.00 0.00 C ATOM 0 H VAL A 27 8.290 2.606 0.666 1.00 0.00 H new ATOM 0 HA VAL A 27 10.750 1.704 1.706 1.00 0.00 H new ATOM 0 HB VAL A 27 8.735 0.321 1.574 1.00 0.00 H new ATOM 0 HG11 VAL A 27 8.051 -0.722 -0.543 1.00 0.00 H new ATOM 0 HG12 VAL A 27 7.839 1.044 -0.562 1.00 0.00 H new ATOM 0 HG13 VAL A 27 9.214 0.304 -1.416 1.00 0.00 H new ATOM 0 HG21 VAL A 27 9.824 -1.757 0.796 1.00 0.00 H new ATOM 0 HG22 VAL A 27 11.096 -0.786 0.016 1.00 0.00 H new ATOM 0 HG23 VAL A 27 10.916 -0.759 1.786 1.00 0.00 H new ATOM 441 N ALA A 28 10.658 2.415 -1.498 1.00 0.00 N ATOM 442 CA ALA A 28 11.504 2.678 -2.656 1.00 0.00 C ATOM 443 C ALA A 28 12.641 3.628 -2.289 1.00 0.00 C ATOM 444 O ALA A 28 13.787 3.415 -2.684 1.00 0.00 O ATOM 445 CB ALA A 28 10.683 3.252 -3.801 1.00 0.00 C ATOM 0 H ALA A 28 9.690 2.717 -1.604 1.00 0.00 H new ATOM 0 HA ALA A 28 11.937 1.732 -2.982 1.00 0.00 H new ATOM 0 HB1 ALA A 28 11.333 3.441 -4.655 1.00 0.00 H new ATOM 0 HB2 ALA A 28 9.908 2.540 -4.085 1.00 0.00 H new ATOM 0 HB3 ALA A 28 10.219 4.186 -3.484 1.00 0.00 H new ATOM 451 N ARG A 29 12.314 4.669 -1.526 1.00 0.00 N ATOM 452 CA ARG A 29 13.309 5.628 -1.051 1.00 0.00 C ATOM 453 C ARG A 29 14.387 4.923 -0.241 1.00 0.00 C ATOM 454 O ARG A 29 15.578 5.051 -0.523 1.00 0.00 O ATOM 455 CB ARG A 29 12.651 6.705 -0.182 1.00 0.00 C ATOM 456 CG ARG A 29 12.490 8.057 -0.860 1.00 0.00 C ATOM 457 CD ARG A 29 11.730 7.952 -2.170 1.00 0.00 C ATOM 458 NE ARG A 29 11.271 9.256 -2.637 1.00 0.00 N ATOM 459 CZ ARG A 29 11.820 9.930 -3.646 1.00 0.00 C ATOM 460 NH1 ARG A 29 12.884 9.448 -4.285 1.00 0.00 N ATOM 461 NH2 ARG A 29 11.312 11.100 -3.999 1.00 0.00 N ATOM 0 H ARG A 29 11.361 4.870 -1.222 1.00 0.00 H new ATOM 0 HA ARG A 29 13.762 6.098 -1.924 1.00 0.00 H new ATOM 0 HB2 ARG A 29 11.668 6.351 0.130 1.00 0.00 H new ATOM 0 HB3 ARG A 29 13.245 6.836 0.723 1.00 0.00 H new ATOM 0 HG2 ARG A 29 11.965 8.738 -0.190 1.00 0.00 H new ATOM 0 HG3 ARG A 29 13.474 8.488 -1.046 1.00 0.00 H new ATOM 0 HD2 ARG A 29 12.371 7.500 -2.927 1.00 0.00 H new ATOM 0 HD3 ARG A 29 10.874 7.290 -2.041 1.00 0.00 H new ATOM 0 HE ARG A 29 10.476 9.680 -2.158 1.00 0.00 H new ATOM 0 HH11 ARG A 29 13.287 8.554 -4.003 1.00 0.00 H new ATOM 0 HH12 ARG A 29 13.296 9.973 -5.056 1.00 0.00 H new ATOM 0 HH21 ARG A 29 10.507 11.478 -3.500 1.00 0.00 H new ATOM 0 HH22 ARG A 29 11.726 11.624 -4.770 1.00 0.00 H new ATOM 475 N LEU A 30 13.953 4.160 0.752 1.00 0.00 N ATOM 476 CA LEU A 30 14.872 3.475 1.654 1.00 0.00 C ATOM 477 C LEU A 30 15.772 2.491 0.910 1.00 0.00 C ATOM 478 O LEU A 30 16.985 2.469 1.124 1.00 0.00 O ATOM 479 CB LEU A 30 14.104 2.750 2.766 1.00 0.00 C ATOM 480 CG LEU A 30 13.764 3.602 4.001 1.00 0.00 C ATOM 481 CD1 LEU A 30 12.859 4.773 3.643 1.00 0.00 C ATOM 482 CD2 LEU A 30 13.112 2.742 5.072 1.00 0.00 C ATOM 0 H LEU A 30 12.967 3.998 0.955 1.00 0.00 H new ATOM 0 HA LEU A 30 15.509 4.237 2.102 1.00 0.00 H new ATOM 0 HB2 LEU A 30 13.176 2.361 2.348 1.00 0.00 H new ATOM 0 HB3 LEU A 30 14.692 1.891 3.090 1.00 0.00 H new ATOM 0 HG LEU A 30 14.697 4.010 4.389 1.00 0.00 H new ATOM 0 HD11 LEU A 30 12.641 5.352 4.541 1.00 0.00 H new ATOM 0 HD12 LEU A 30 13.359 5.410 2.914 1.00 0.00 H new ATOM 0 HD13 LEU A 30 11.928 4.397 3.218 1.00 0.00 H new ATOM 0 HD21 LEU A 30 12.877 3.358 5.940 1.00 0.00 H new ATOM 0 HD22 LEU A 30 12.195 2.304 4.679 1.00 0.00 H new ATOM 0 HD23 LEU A 30 13.796 1.946 5.366 1.00 0.00 H new ATOM 494 N LYS A 31 15.189 1.695 0.020 1.00 0.00 N ATOM 495 CA LYS A 31 15.957 0.665 -0.670 1.00 0.00 C ATOM 496 C LYS A 31 16.861 1.273 -1.742 1.00 0.00 C ATOM 497 O LYS A 31 17.864 0.675 -2.121 1.00 0.00 O ATOM 498 CB LYS A 31 15.044 -0.407 -1.283 1.00 0.00 C ATOM 499 CG LYS A 31 14.267 0.039 -2.511 1.00 0.00 C ATOM 500 CD LYS A 31 13.514 -1.127 -3.127 1.00 0.00 C ATOM 501 CE LYS A 31 12.848 -0.746 -4.439 1.00 0.00 C ATOM 502 NZ LYS A 31 12.251 -1.926 -5.118 1.00 0.00 N ATOM 0 H LYS A 31 14.203 1.741 -0.238 1.00 0.00 H new ATOM 0 HA LYS A 31 16.587 0.182 0.077 1.00 0.00 H new ATOM 0 HB2 LYS A 31 15.652 -1.271 -1.550 1.00 0.00 H new ATOM 0 HB3 LYS A 31 14.336 -0.738 -0.523 1.00 0.00 H new ATOM 0 HG2 LYS A 31 13.565 0.826 -2.236 1.00 0.00 H new ATOM 0 HG3 LYS A 31 14.951 0.464 -3.245 1.00 0.00 H new ATOM 0 HD2 LYS A 31 14.203 -1.954 -3.297 1.00 0.00 H new ATOM 0 HD3 LYS A 31 12.758 -1.481 -2.426 1.00 0.00 H new ATOM 0 HE2 LYS A 31 12.072 -0.004 -4.251 1.00 0.00 H new ATOM 0 HE3 LYS A 31 13.581 -0.280 -5.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 11.806 -1.626 -6.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 12.995 -2.623 -5.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 11.533 -2.355 -4.500 1.00 0.00 H new ATOM 516 N LYS A 32 16.515 2.459 -2.227 1.00 0.00 N ATOM 517 CA LYS A 32 17.351 3.145 -3.202 1.00 0.00 C ATOM 518 C LYS A 32 18.501 3.850 -2.491 1.00 0.00 C ATOM 519 O LYS A 32 19.576 4.057 -3.059 1.00 0.00 O ATOM 520 CB LYS A 32 16.525 4.152 -4.013 1.00 0.00 C ATOM 521 CG LYS A 32 17.302 4.802 -5.145 1.00 0.00 C ATOM 522 CD LYS A 32 17.822 3.762 -6.127 1.00 0.00 C ATOM 523 CE LYS A 32 18.729 4.378 -7.180 1.00 0.00 C ATOM 524 NZ LYS A 32 18.004 5.321 -8.072 1.00 0.00 N ATOM 0 H LYS A 32 15.668 2.962 -1.963 1.00 0.00 H new ATOM 0 HA LYS A 32 17.759 2.408 -3.893 1.00 0.00 H new ATOM 0 HB2 LYS A 32 15.653 3.645 -4.426 1.00 0.00 H new ATOM 0 HB3 LYS A 32 16.155 4.929 -3.344 1.00 0.00 H new ATOM 0 HG2 LYS A 32 16.661 5.511 -5.669 1.00 0.00 H new ATOM 0 HG3 LYS A 32 18.138 5.369 -4.736 1.00 0.00 H new ATOM 0 HD2 LYS A 32 18.368 2.991 -5.584 1.00 0.00 H new ATOM 0 HD3 LYS A 32 16.980 3.271 -6.615 1.00 0.00 H new ATOM 0 HE2 LYS A 32 19.547 4.904 -6.688 1.00 0.00 H new ATOM 0 HE3 LYS A 32 19.175 3.585 -7.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 18.653 5.675 -8.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 17.208 4.828 -8.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 17.643 6.120 -7.513 1.00 0.00 H new ATOM 538 N LEU A 33 18.269 4.205 -1.236 1.00 0.00 N ATOM 539 CA LEU A 33 19.285 4.855 -0.419 1.00 0.00 C ATOM 540 C LEU A 33 20.327 3.828 0.027 1.00 0.00 C ATOM 541 O LEU A 33 21.529 4.029 -0.162 1.00 0.00 O ATOM 542 CB LEU A 33 18.631 5.531 0.800 1.00 0.00 C ATOM 543 CG LEU A 33 19.365 6.751 1.375 1.00 0.00 C ATOM 544 CD1 LEU A 33 20.727 6.371 1.931 1.00 0.00 C ATOM 545 CD2 LEU A 33 19.503 7.833 0.320 1.00 0.00 C ATOM 0 H LEU A 33 17.381 4.053 -0.758 1.00 0.00 H new ATOM 0 HA LEU A 33 19.784 5.623 -1.010 1.00 0.00 H new ATOM 0 HB2 LEU A 33 17.623 5.838 0.521 1.00 0.00 H new ATOM 0 HB3 LEU A 33 18.531 4.788 1.591 1.00 0.00 H new ATOM 0 HG LEU A 33 18.768 7.140 2.200 1.00 0.00 H new ATOM 0 HD11 LEU A 33 21.218 7.259 2.329 1.00 0.00 H new ATOM 0 HD12 LEU A 33 20.603 5.637 2.727 1.00 0.00 H new ATOM 0 HD13 LEU A 33 21.338 5.944 1.136 1.00 0.00 H new ATOM 0 HD21 LEU A 33 20.025 8.690 0.744 1.00 0.00 H new ATOM 0 HD22 LEU A 33 20.070 7.445 -0.527 1.00 0.00 H new ATOM 0 HD23 LEU A 33 18.513 8.141 -0.016 1.00 0.00 H new ATOM 557 N VAL A 34 19.859 2.721 0.602 1.00 0.00 N ATOM 558 CA VAL A 34 20.754 1.670 1.081 1.00 0.00 C ATOM 559 C VAL A 34 21.306 0.854 -0.090 1.00 0.00 C ATOM 560 O VAL A 34 22.401 0.295 -0.015 1.00 0.00 O ATOM 561 CB VAL A 34 20.044 0.732 2.091 1.00 0.00 C ATOM 562 CG1 VAL A 34 18.929 -0.062 1.429 1.00 0.00 C ATOM 563 CG2 VAL A 34 21.046 -0.199 2.750 1.00 0.00 C ATOM 0 H VAL A 34 18.868 2.529 0.747 1.00 0.00 H new ATOM 0 HA VAL A 34 21.581 2.158 1.596 1.00 0.00 H new ATOM 0 HB VAL A 34 19.591 1.357 2.860 1.00 0.00 H new ATOM 0 HG11 VAL A 34 18.454 -0.708 2.168 1.00 0.00 H new ATOM 0 HG12 VAL A 34 18.188 0.624 1.018 1.00 0.00 H new ATOM 0 HG13 VAL A 34 19.344 -0.672 0.626 1.00 0.00 H new ATOM 0 HG21 VAL A 34 20.529 -0.849 3.455 1.00 0.00 H new ATOM 0 HG22 VAL A 34 21.535 -0.806 1.988 1.00 0.00 H new ATOM 0 HG23 VAL A 34 21.795 0.389 3.281 1.00 0.00 H new ATOM 573 N GLY A 35 20.541 0.801 -1.174 1.00 0.00 N ATOM 574 CA GLY A 35 20.969 0.079 -2.354 1.00 0.00 C ATOM 575 C GLY A 35 22.032 0.831 -3.124 1.00 0.00 C ATOM 576 O GLY A 35 22.796 0.228 -3.881 1.00 0.00 O ATOM 0 H GLY A 35 19.628 1.248 -1.255 1.00 0.00 H new ATOM 0 HA2 GLY A 35 21.356 -0.897 -2.061 1.00 0.00 H new ATOM 0 HA3 GLY A 35 20.110 -0.099 -3.001 1.00 0.00 H new ATOM 580 N GLU A 36 22.078 2.146 -2.909 1.00 0.00 N ATOM 581 CA GLU A 36 23.051 3.018 -3.565 1.00 0.00 C ATOM 582 C GLU A 36 22.843 3.004 -5.077 1.00 0.00 C ATOM 583 O GLU A 36 21.738 2.739 -5.555 1.00 0.00 O ATOM 584 CB GLU A 36 24.479 2.595 -3.203 1.00 0.00 C ATOM 585 CG GLU A 36 24.753 2.579 -1.705 1.00 0.00 C ATOM 586 CD GLU A 36 26.164 2.145 -1.377 1.00 0.00 C ATOM 587 OE1 GLU A 36 26.716 1.305 -2.116 1.00 0.00 O ATOM 588 OE2 GLU A 36 26.725 2.626 -0.369 1.00 0.00 O ATOM 0 H GLU A 36 21.444 2.635 -2.277 1.00 0.00 H new ATOM 0 HA GLU A 36 22.901 4.038 -3.211 1.00 0.00 H new ATOM 0 HB2 GLU A 36 24.667 1.601 -3.608 1.00 0.00 H new ATOM 0 HB3 GLU A 36 25.183 3.274 -3.685 1.00 0.00 H new ATOM 0 HG2 GLU A 36 24.579 3.575 -1.297 1.00 0.00 H new ATOM 0 HG3 GLU A 36 24.047 1.907 -1.217 1.00 0.00 H new ATOM 655 N SER B 4 -21.658 -10.399 -6.564 1.00 0.00 N ATOM 656 CA SER B 4 -20.406 -10.034 -7.178 1.00 0.00 C ATOM 657 C SER B 4 -19.908 -8.746 -6.566 1.00 0.00 C ATOM 658 O SER B 4 -18.722 -8.583 -6.359 1.00 0.00 O ATOM 659 CB SER B 4 -20.582 -9.884 -8.687 1.00 0.00 C ATOM 660 OG SER B 4 -21.120 -11.068 -9.251 1.00 0.00 O ATOM 0 HA SER B 4 -19.670 -10.819 -7.001 1.00 0.00 H new ATOM 0 HB2 SER B 4 -21.242 -9.043 -8.899 1.00 0.00 H new ATOM 0 HB3 SER B 4 -19.621 -9.660 -9.149 1.00 0.00 H new ATOM 0 HG SER B 4 -21.639 -11.548 -8.572 1.00 0.00 H new ATOM 666 N SER B 5 -20.841 -7.861 -6.235 1.00 0.00 N ATOM 667 CA SER B 5 -20.532 -6.606 -5.606 1.00 0.00 C ATOM 668 C SER B 5 -19.987 -6.847 -4.215 1.00 0.00 C ATOM 669 O SER B 5 -19.277 -6.028 -3.684 1.00 0.00 O ATOM 670 CB SER B 5 -21.791 -5.744 -5.554 1.00 0.00 C ATOM 671 OG SER B 5 -22.916 -6.526 -5.176 1.00 0.00 O ATOM 0 H SER B 5 -21.837 -8.006 -6.402 1.00 0.00 H new ATOM 0 HA SER B 5 -19.771 -6.082 -6.184 1.00 0.00 H new ATOM 0 HB2 SER B 5 -21.652 -4.930 -4.843 1.00 0.00 H new ATOM 0 HB3 SER B 5 -21.968 -5.290 -6.529 1.00 0.00 H new ATOM 0 HG SER B 5 -23.714 -5.958 -5.146 1.00 0.00 H new ATOM 677 N LEU B 6 -20.312 -7.998 -3.646 1.00 0.00 N ATOM 678 CA LEU B 6 -19.858 -8.351 -2.324 1.00 0.00 C ATOM 679 C LEU B 6 -18.479 -8.986 -2.411 1.00 0.00 C ATOM 680 O LEU B 6 -17.516 -8.431 -1.910 1.00 0.00 O ATOM 681 CB LEU B 6 -20.853 -9.313 -1.669 1.00 0.00 C ATOM 682 CG LEU B 6 -20.571 -9.656 -0.206 1.00 0.00 C ATOM 683 CD1 LEU B 6 -20.637 -8.407 0.659 1.00 0.00 C ATOM 684 CD2 LEU B 6 -21.551 -10.706 0.289 1.00 0.00 C ATOM 0 H LEU B 6 -20.896 -8.706 -4.091 1.00 0.00 H new ATOM 0 HA LEU B 6 -19.793 -7.452 -1.711 1.00 0.00 H new ATOM 0 HB2 LEU B 6 -21.850 -8.878 -1.736 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -20.869 -10.239 -2.244 1.00 0.00 H new ATOM 0 HG LEU B 6 -19.563 -10.065 -0.134 1.00 0.00 H new ATOM 0 HD11 LEU B 6 -20.434 -8.672 1.697 1.00 0.00 H new ATOM 0 HD12 LEU B 6 -19.894 -7.687 0.316 1.00 0.00 H new ATOM 0 HD13 LEU B 6 -21.631 -7.966 0.585 1.00 0.00 H new ATOM 0 HD21 LEU B 6 -21.338 -10.940 1.332 1.00 0.00 H new ATOM 0 HD22 LEU B 6 -22.568 -10.323 0.204 1.00 0.00 H new ATOM 0 HD23 LEU B 6 -21.451 -11.609 -0.313 1.00 0.00 H new ATOM 696 N GLU B 7 -18.404 -10.122 -3.101 1.00 0.00 N ATOM 697 CA GLU B 7 -17.185 -10.911 -3.212 1.00 0.00 C ATOM 698 C GLU B 7 -16.025 -10.089 -3.755 1.00 0.00 C ATOM 699 O GLU B 7 -15.051 -9.866 -3.051 1.00 0.00 O ATOM 700 CB GLU B 7 -17.432 -12.118 -4.122 1.00 0.00 C ATOM 701 CG GLU B 7 -18.394 -13.139 -3.541 1.00 0.00 C ATOM 702 CD GLU B 7 -17.783 -13.942 -2.413 1.00 0.00 C ATOM 703 OE1 GLU B 7 -17.101 -14.949 -2.700 1.00 0.00 O ATOM 704 OE2 GLU B 7 -17.980 -13.575 -1.236 1.00 0.00 O ATOM 0 H GLU B 7 -19.197 -10.522 -3.603 1.00 0.00 H new ATOM 0 HA GLU B 7 -16.915 -11.247 -2.211 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -17.823 -11.767 -5.077 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -16.480 -12.607 -4.328 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -19.284 -12.627 -3.176 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -18.718 -13.817 -4.330 1.00 0.00 H new ATOM 711 N ALA B 8 -16.166 -9.614 -4.989 1.00 0.00 N ATOM 712 CA ALA B 8 -15.086 -8.953 -5.703 1.00 0.00 C ATOM 713 C ALA B 8 -14.582 -7.741 -4.949 1.00 0.00 C ATOM 714 O ALA B 8 -13.398 -7.646 -4.670 1.00 0.00 O ATOM 715 CB ALA B 8 -15.535 -8.560 -7.102 1.00 0.00 C ATOM 0 H ALA B 8 -17.035 -9.678 -5.520 1.00 0.00 H new ATOM 0 HA ALA B 8 -14.261 -9.660 -5.784 1.00 0.00 H new ATOM 0 HB1 ALA B 8 -14.714 -8.066 -7.622 1.00 0.00 H new ATOM 0 HB2 ALA B 8 -15.830 -9.453 -7.654 1.00 0.00 H new ATOM 0 HB3 ALA B 8 -16.383 -7.879 -7.034 1.00 0.00 H new ATOM 721 N VAL B 9 -15.490 -6.837 -4.600 1.00 0.00 N ATOM 722 CA VAL B 9 -15.132 -5.604 -3.936 1.00 0.00 C ATOM 723 C VAL B 9 -14.430 -5.895 -2.624 1.00 0.00 C ATOM 724 O VAL B 9 -13.427 -5.270 -2.327 1.00 0.00 O ATOM 725 CB VAL B 9 -16.364 -4.700 -3.695 1.00 0.00 C ATOM 726 CG1 VAL B 9 -15.980 -3.438 -2.934 1.00 0.00 C ATOM 727 CG2 VAL B 9 -17.012 -4.340 -5.022 1.00 0.00 C ATOM 0 H VAL B 9 -16.490 -6.944 -4.772 1.00 0.00 H new ATOM 0 HA VAL B 9 -14.451 -5.064 -4.594 1.00 0.00 H new ATOM 0 HB VAL B 9 -17.079 -5.253 -3.087 1.00 0.00 H new ATOM 0 HG11 VAL B 9 -16.866 -2.822 -2.779 1.00 0.00 H new ATOM 0 HG12 VAL B 9 -15.555 -3.711 -1.968 1.00 0.00 H new ATOM 0 HG13 VAL B 9 -15.244 -2.876 -3.509 1.00 0.00 H new ATOM 0 HG21 VAL B 9 -17.879 -3.703 -4.843 1.00 0.00 H new ATOM 0 HG22 VAL B 9 -16.293 -3.808 -5.645 1.00 0.00 H new ATOM 0 HG23 VAL B 9 -17.329 -5.250 -5.531 1.00 0.00 H new ATOM 737 N ARG B 10 -14.932 -6.879 -1.875 1.00 0.00 N ATOM 738 CA ARG B 10 -14.331 -7.268 -0.615 1.00 0.00 C ATOM 739 C ARG B 10 -12.883 -7.650 -0.835 1.00 0.00 C ATOM 740 O ARG B 10 -12.011 -7.140 -0.168 1.00 0.00 O ATOM 741 CB ARG B 10 -15.069 -8.449 0.015 1.00 0.00 C ATOM 742 CG ARG B 10 -14.548 -8.819 1.397 1.00 0.00 C ATOM 743 CD ARG B 10 -14.921 -10.242 1.775 1.00 0.00 C ATOM 744 NE ARG B 10 -16.364 -10.471 1.738 1.00 0.00 N ATOM 745 CZ ARG B 10 -16.945 -11.409 0.991 1.00 0.00 C ATOM 746 NH1 ARG B 10 -16.218 -12.198 0.211 1.00 0.00 N ATOM 747 NH2 ARG B 10 -18.258 -11.568 1.028 1.00 0.00 N ATOM 0 H ARG B 10 -15.759 -7.419 -2.129 1.00 0.00 H new ATOM 0 HA ARG B 10 -14.397 -6.417 0.063 1.00 0.00 H new ATOM 0 HB2 ARG B 10 -16.130 -8.209 0.087 1.00 0.00 H new ATOM 0 HB3 ARG B 10 -14.982 -9.315 -0.642 1.00 0.00 H new ATOM 0 HG2 ARG B 10 -13.464 -8.709 1.419 1.00 0.00 H new ATOM 0 HG3 ARG B 10 -14.953 -8.128 2.136 1.00 0.00 H new ATOM 0 HD2 ARG B 10 -14.429 -10.936 1.094 1.00 0.00 H new ATOM 0 HD3 ARG B 10 -14.548 -10.458 2.776 1.00 0.00 H new ATOM 0 HE ARG B 10 -16.960 -9.879 2.317 1.00 0.00 H new ATOM 0 HH11 ARG B 10 -15.204 -12.090 0.179 1.00 0.00 H new ATOM 0 HH12 ARG B 10 -16.673 -12.913 -0.357 1.00 0.00 H new ATOM 0 HH21 ARG B 10 -18.827 -10.972 1.629 1.00 0.00 H new ATOM 0 HH22 ARG B 10 -18.701 -12.287 0.455 1.00 0.00 H new ATOM 761 N ARG B 11 -12.646 -8.526 -1.805 1.00 0.00 N ATOM 762 CA ARG B 11 -11.320 -9.020 -2.088 1.00 0.00 C ATOM 763 C ARG B 11 -10.383 -7.865 -2.400 1.00 0.00 C ATOM 764 O ARG B 11 -9.264 -7.849 -1.924 1.00 0.00 O ATOM 765 CB ARG B 11 -11.359 -10.024 -3.247 1.00 0.00 C ATOM 766 CG ARG B 11 -10.000 -10.603 -3.629 1.00 0.00 C ATOM 767 CD ARG B 11 -9.315 -11.287 -2.452 1.00 0.00 C ATOM 768 NE ARG B 11 -8.012 -10.684 -2.174 1.00 0.00 N ATOM 769 CZ ARG B 11 -7.331 -10.837 -1.037 1.00 0.00 C ATOM 770 NH1 ARG B 11 -7.758 -11.682 -0.104 1.00 0.00 N ATOM 771 NH2 ARG B 11 -6.198 -10.167 -0.855 1.00 0.00 N ATOM 0 H ARG B 11 -13.372 -8.908 -2.412 1.00 0.00 H new ATOM 0 HA ARG B 11 -10.942 -9.537 -1.206 1.00 0.00 H new ATOM 0 HB2 ARG B 11 -12.026 -10.843 -2.979 1.00 0.00 H new ATOM 0 HB3 ARG B 11 -11.790 -9.535 -4.121 1.00 0.00 H new ATOM 0 HG2 ARG B 11 -10.127 -11.320 -4.440 1.00 0.00 H new ATOM 0 HG3 ARG B 11 -9.360 -9.805 -4.006 1.00 0.00 H new ATOM 0 HD2 ARG B 11 -9.948 -11.215 -1.568 1.00 0.00 H new ATOM 0 HD3 ARG B 11 -9.189 -12.348 -2.668 1.00 0.00 H new ATOM 0 HE ARG B 11 -7.594 -10.105 -2.902 1.00 0.00 H new ATOM 0 HH11 ARG B 11 -8.612 -12.219 -0.255 1.00 0.00 H new ATOM 0 HH12 ARG B 11 -7.232 -11.793 0.763 1.00 0.00 H new ATOM 0 HH21 ARG B 11 -5.854 -9.540 -1.582 1.00 0.00 H new ATOM 0 HH22 ARG B 11 -5.673 -10.280 0.012 1.00 0.00 H new ATOM 785 N LYS B 12 -10.857 -6.882 -3.157 1.00 0.00 N ATOM 786 CA LYS B 12 -10.026 -5.756 -3.528 1.00 0.00 C ATOM 787 C LYS B 12 -9.677 -4.919 -2.307 1.00 0.00 C ATOM 788 O LYS B 12 -8.509 -4.687 -2.049 1.00 0.00 O ATOM 789 CB LYS B 12 -10.700 -4.894 -4.602 1.00 0.00 C ATOM 790 CG LYS B 12 -9.875 -3.672 -4.994 1.00 0.00 C ATOM 791 CD LYS B 12 -10.396 -2.999 -6.258 1.00 0.00 C ATOM 792 CE LYS B 12 -10.151 -3.858 -7.492 1.00 0.00 C ATOM 793 NZ LYS B 12 -10.534 -3.155 -8.747 1.00 0.00 N ATOM 0 H LYS B 12 -11.809 -6.847 -3.522 1.00 0.00 H new ATOM 0 HA LYS B 12 -9.102 -6.151 -3.951 1.00 0.00 H new ATOM 0 HB2 LYS B 12 -10.880 -5.503 -5.488 1.00 0.00 H new ATOM 0 HB3 LYS B 12 -11.674 -4.566 -4.238 1.00 0.00 H new ATOM 0 HG2 LYS B 12 -9.883 -2.954 -4.174 1.00 0.00 H new ATOM 0 HG3 LYS B 12 -8.838 -3.971 -5.146 1.00 0.00 H new ATOM 0 HD2 LYS B 12 -11.464 -2.806 -6.154 1.00 0.00 H new ATOM 0 HD3 LYS B 12 -9.908 -2.032 -6.384 1.00 0.00 H new ATOM 0 HE2 LYS B 12 -9.097 -4.134 -7.538 1.00 0.00 H new ATOM 0 HE3 LYS B 12 -10.719 -4.784 -7.407 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 -10.351 -3.775 -9.562 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 -11.545 -2.914 -8.715 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 -9.974 -2.284 -8.842 1.00 0.00 H new ATOM 807 N ILE B 13 -10.679 -4.506 -1.532 1.00 0.00 N ATOM 808 CA ILE B 13 -10.437 -3.657 -0.384 1.00 0.00 C ATOM 809 C ILE B 13 -9.657 -4.416 0.672 1.00 0.00 C ATOM 810 O ILE B 13 -8.874 -3.829 1.388 1.00 0.00 O ATOM 811 CB ILE B 13 -11.741 -3.058 0.212 1.00 0.00 C ATOM 812 CG1 ILE B 13 -12.752 -4.143 0.606 1.00 0.00 C ATOM 813 CG2 ILE B 13 -12.370 -2.091 -0.781 1.00 0.00 C ATOM 814 CD1 ILE B 13 -12.614 -4.630 2.039 1.00 0.00 C ATOM 0 H ILE B 13 -11.658 -4.748 -1.683 1.00 0.00 H new ATOM 0 HA ILE B 13 -9.843 -2.811 -0.731 1.00 0.00 H new ATOM 0 HB ILE B 13 -11.469 -2.524 1.122 1.00 0.00 H new ATOM 0 HG12 ILE B 13 -13.760 -3.755 0.461 1.00 0.00 H new ATOM 0 HG13 ILE B 13 -12.638 -4.992 -0.067 1.00 0.00 H new ATOM 0 HG21 ILE B 13 -13.284 -1.676 -0.356 1.00 0.00 H new ATOM 0 HG22 ILE B 13 -11.670 -1.284 -0.996 1.00 0.00 H new ATOM 0 HG23 ILE B 13 -12.608 -2.620 -1.704 1.00 0.00 H new ATOM 0 HD11 ILE B 13 -13.365 -5.395 2.237 1.00 0.00 H new ATOM 0 HD12 ILE B 13 -11.619 -5.051 2.186 1.00 0.00 H new ATOM 0 HD13 ILE B 13 -12.759 -3.794 2.723 1.00 0.00 H new ATOM 826 N ARG B 14 -9.855 -5.728 0.727 1.00 0.00 N ATOM 827 CA ARG B 14 -9.095 -6.594 1.602 1.00 0.00 C ATOM 828 C ARG B 14 -7.625 -6.508 1.244 1.00 0.00 C ATOM 829 O ARG B 14 -6.793 -6.344 2.116 1.00 0.00 O ATOM 830 CB ARG B 14 -9.611 -8.036 1.490 1.00 0.00 C ATOM 831 CG ARG B 14 -8.584 -9.105 1.831 1.00 0.00 C ATOM 832 CD ARG B 14 -8.137 -9.051 3.283 1.00 0.00 C ATOM 833 NE ARG B 14 -6.994 -9.927 3.512 1.00 0.00 N ATOM 834 CZ ARG B 14 -6.817 -10.669 4.601 1.00 0.00 C ATOM 835 NH1 ARG B 14 -7.705 -10.641 5.588 1.00 0.00 N ATOM 836 NH2 ARG B 14 -5.751 -11.452 4.687 1.00 0.00 N ATOM 0 H ARG B 14 -10.550 -6.216 0.162 1.00 0.00 H new ATOM 0 HA ARG B 14 -9.218 -6.273 2.636 1.00 0.00 H new ATOM 0 HB2 ARG B 14 -10.470 -8.153 2.150 1.00 0.00 H new ATOM 0 HB3 ARG B 14 -9.966 -8.203 0.473 1.00 0.00 H new ATOM 0 HG2 ARG B 14 -9.006 -10.088 1.622 1.00 0.00 H new ATOM 0 HG3 ARG B 14 -7.715 -8.987 1.184 1.00 0.00 H new ATOM 0 HD2 ARG B 14 -7.874 -8.027 3.548 1.00 0.00 H new ATOM 0 HD3 ARG B 14 -8.961 -9.346 3.932 1.00 0.00 H new ATOM 0 HE ARG B 14 -6.280 -9.974 2.785 1.00 0.00 H new ATOM 0 HH11 ARG B 14 -8.531 -10.047 5.514 1.00 0.00 H new ATOM 0 HH12 ARG B 14 -7.561 -11.214 6.420 1.00 0.00 H new ATOM 0 HH21 ARG B 14 -5.077 -11.481 3.922 1.00 0.00 H new ATOM 0 HH22 ARG B 14 -5.605 -12.025 5.518 1.00 0.00 H new ATOM 850 N SER B 15 -7.329 -6.575 -0.051 1.00 0.00 N ATOM 851 CA SER B 15 -5.970 -6.522 -0.536 1.00 0.00 C ATOM 852 C SER B 15 -5.310 -5.240 -0.076 1.00 0.00 C ATOM 853 O SER B 15 -4.160 -5.251 0.314 1.00 0.00 O ATOM 854 CB SER B 15 -5.944 -6.614 -2.061 1.00 0.00 C ATOM 855 OG SER B 15 -6.614 -7.782 -2.513 1.00 0.00 O ATOM 0 H SER B 15 -8.030 -6.667 -0.786 1.00 0.00 H new ATOM 0 HA SER B 15 -5.418 -7.370 -0.131 1.00 0.00 H new ATOM 0 HB2 SER B 15 -6.417 -5.731 -2.490 1.00 0.00 H new ATOM 0 HB3 SER B 15 -4.912 -6.625 -2.410 1.00 0.00 H new ATOM 0 HG SER B 15 -7.579 -7.678 -2.378 1.00 0.00 H new ATOM 861 N LEU B 16 -6.069 -4.148 -0.088 1.00 0.00 N ATOM 862 CA LEU B 16 -5.574 -2.861 0.349 1.00 0.00 C ATOM 863 C LEU B 16 -5.188 -2.926 1.813 1.00 0.00 C ATOM 864 O LEU B 16 -4.090 -2.548 2.172 1.00 0.00 O ATOM 865 CB LEU B 16 -6.633 -1.775 0.136 1.00 0.00 C ATOM 866 CG LEU B 16 -7.086 -1.582 -1.311 1.00 0.00 C ATOM 867 CD1 LEU B 16 -8.182 -0.534 -1.388 1.00 0.00 C ATOM 868 CD2 LEU B 16 -5.909 -1.190 -2.190 1.00 0.00 C ATOM 0 H LEU B 16 -7.040 -4.137 -0.401 1.00 0.00 H new ATOM 0 HA LEU B 16 -4.695 -2.609 -0.244 1.00 0.00 H new ATOM 0 HB2 LEU B 16 -7.505 -2.016 0.744 1.00 0.00 H new ATOM 0 HB3 LEU B 16 -6.239 -0.828 0.506 1.00 0.00 H new ATOM 0 HG LEU B 16 -7.487 -2.527 -1.677 1.00 0.00 H new ATOM 0 HD11 LEU B 16 -8.493 -0.409 -2.425 1.00 0.00 H new ATOM 0 HD12 LEU B 16 -9.035 -0.855 -0.789 1.00 0.00 H new ATOM 0 HD13 LEU B 16 -7.806 0.415 -1.005 1.00 0.00 H new ATOM 0 HD21 LEU B 16 -6.250 -1.057 -3.217 1.00 0.00 H new ATOM 0 HD22 LEU B 16 -5.478 -0.257 -1.827 1.00 0.00 H new ATOM 0 HD23 LEU B 16 -5.153 -1.975 -2.158 1.00 0.00 H new ATOM 880 N GLN B 17 -6.084 -3.456 2.640 1.00 0.00 N ATOM 881 CA GLN B 17 -5.884 -3.504 4.074 1.00 0.00 C ATOM 882 C GLN B 17 -4.634 -4.291 4.428 1.00 0.00 C ATOM 883 O GLN B 17 -3.807 -3.803 5.175 1.00 0.00 O ATOM 884 CB GLN B 17 -7.106 -4.106 4.770 1.00 0.00 C ATOM 885 CG GLN B 17 -8.358 -3.252 4.642 1.00 0.00 C ATOM 886 CD GLN B 17 -9.524 -3.792 5.447 1.00 0.00 C ATOM 887 OE1 GLN B 17 -9.337 -4.442 6.477 1.00 0.00 O ATOM 888 NE2 GLN B 17 -10.738 -3.528 4.987 1.00 0.00 N ATOM 0 H GLN B 17 -6.967 -3.862 2.330 1.00 0.00 H new ATOM 0 HA GLN B 17 -5.751 -2.481 4.426 1.00 0.00 H new ATOM 0 HB2 GLN B 17 -7.304 -5.092 4.351 1.00 0.00 H new ATOM 0 HB3 GLN B 17 -6.879 -4.248 5.827 1.00 0.00 H new ATOM 0 HG2 GLN B 17 -8.135 -2.237 4.971 1.00 0.00 H new ATOM 0 HG3 GLN B 17 -8.645 -3.191 3.592 1.00 0.00 H new ATOM 0 HE21 GLN B 17 -10.852 -2.986 4.130 1.00 0.00 H new ATOM 0 HE22 GLN B 17 -11.559 -3.866 5.490 1.00 0.00 H new ATOM 897 N GLU B 18 -4.480 -5.484 3.864 1.00 0.00 N ATOM 898 CA GLU B 18 -3.349 -6.327 4.181 1.00 0.00 C ATOM 899 C GLU B 18 -2.078 -5.720 3.618 1.00 0.00 C ATOM 900 O GLU B 18 -1.018 -5.898 4.181 1.00 0.00 O ATOM 901 CB GLU B 18 -3.557 -7.757 3.661 1.00 0.00 C ATOM 902 CG GLU B 18 -3.790 -7.855 2.166 1.00 0.00 C ATOM 903 CD GLU B 18 -3.992 -9.286 1.703 1.00 0.00 C ATOM 904 OE1 GLU B 18 -2.986 -9.992 1.488 1.00 0.00 O ATOM 905 OE2 GLU B 18 -5.154 -9.715 1.560 1.00 0.00 O ATOM 0 H GLU B 18 -5.128 -5.883 3.185 1.00 0.00 H new ATOM 0 HA GLU B 18 -3.256 -6.388 5.265 1.00 0.00 H new ATOM 0 HB2 GLU B 18 -2.683 -8.355 3.920 1.00 0.00 H new ATOM 0 HB3 GLU B 18 -4.409 -8.198 4.178 1.00 0.00 H new ATOM 0 HG2 GLU B 18 -4.665 -7.263 1.898 1.00 0.00 H new ATOM 0 HG3 GLU B 18 -2.939 -7.423 1.640 1.00 0.00 H new ATOM 912 N GLN B 19 -2.207 -4.958 2.533 1.00 0.00 N ATOM 913 CA GLN B 19 -1.081 -4.305 1.908 1.00 0.00 C ATOM 914 C GLN B 19 -0.523 -3.256 2.847 1.00 0.00 C ATOM 915 O GLN B 19 0.678 -3.086 2.917 1.00 0.00 O ATOM 916 CB GLN B 19 -1.502 -3.673 0.577 1.00 0.00 C ATOM 917 CG GLN B 19 -0.339 -3.191 -0.272 1.00 0.00 C ATOM 918 CD GLN B 19 0.605 -4.316 -0.659 1.00 0.00 C ATOM 919 OE1 GLN B 19 1.623 -4.544 0.159 1.00 0.00 O flip ATOM 920 NE2 GLN B 19 0.428 -4.968 -1.686 1.00 0.00 N flip ATOM 0 H GLN B 19 -3.099 -4.782 2.070 1.00 0.00 H new ATOM 0 HA GLN B 19 -0.306 -5.043 1.700 1.00 0.00 H new ATOM 0 HB2 GLN B 19 -2.078 -4.402 0.006 1.00 0.00 H new ATOM 0 HB3 GLN B 19 -2.164 -2.831 0.779 1.00 0.00 H new ATOM 0 HG2 GLN B 19 -0.724 -2.718 -1.175 1.00 0.00 H new ATOM 0 HG3 GLN B 19 0.215 -2.429 0.276 1.00 0.00 H new ATOM 0 HE21 GLN B 19 -0.368 -4.762 -2.290 1.00 0.00 H new ATOM 0 HE22 GLN B 19 1.077 -5.715 -1.934 1.00 0.00 H new ATOM 929 N ASN B 20 -1.417 -2.603 3.592 1.00 0.00 N ATOM 930 CA ASN B 20 -1.043 -1.568 4.555 1.00 0.00 C ATOM 931 C ASN B 20 0.023 -2.078 5.503 1.00 0.00 C ATOM 932 O ASN B 20 1.171 -1.661 5.425 1.00 0.00 O ATOM 933 CB ASN B 20 -2.260 -1.112 5.374 1.00 0.00 C ATOM 934 CG ASN B 20 -3.157 -0.124 4.649 1.00 0.00 C ATOM 935 OD1 ASN B 20 -3.152 -0.151 3.326 1.00 0.00 O flip ATOM 936 ND2 ASN B 20 -3.854 0.666 5.283 1.00 0.00 N flip ATOM 0 H ASN B 20 -2.421 -2.778 3.544 1.00 0.00 H new ATOM 0 HA ASN B 20 -0.653 -0.722 3.989 1.00 0.00 H new ATOM 0 HB2 ASN B 20 -2.849 -1.987 5.649 1.00 0.00 H new ATOM 0 HB3 ASN B 20 -1.911 -0.658 6.302 1.00 0.00 H new ATOM 0 HD21 ASN B 20 -3.833 0.659 6.303 1.00 0.00 H new ATOM 0 HD22 ASN B 20 -4.453 1.328 4.789 1.00 0.00 H new ATOM 943 N TYR B 21 -0.367 -3.021 6.357 1.00 0.00 N ATOM 944 CA TYR B 21 0.498 -3.558 7.389 1.00 0.00 C ATOM 945 C TYR B 21 1.790 -4.065 6.793 1.00 0.00 C ATOM 946 O TYR B 21 2.839 -3.883 7.372 1.00 0.00 O ATOM 947 CB TYR B 21 -0.202 -4.697 8.135 1.00 0.00 C ATOM 948 CG TYR B 21 -1.456 -4.270 8.869 1.00 0.00 C ATOM 949 CD1 TYR B 21 -2.685 -4.221 8.218 1.00 0.00 C ATOM 950 CD2 TYR B 21 -1.412 -3.914 10.212 1.00 0.00 C ATOM 951 CE1 TYR B 21 -3.829 -3.826 8.881 1.00 0.00 C ATOM 952 CE2 TYR B 21 -2.556 -3.519 10.883 1.00 0.00 C ATOM 953 CZ TYR B 21 -3.761 -3.476 10.212 1.00 0.00 C ATOM 954 OH TYR B 21 -4.906 -3.083 10.873 1.00 0.00 O ATOM 0 H TYR B 21 -1.300 -3.433 6.347 1.00 0.00 H new ATOM 0 HA TYR B 21 0.723 -2.755 8.090 1.00 0.00 H new ATOM 0 HB2 TYR B 21 -0.459 -5.481 7.423 1.00 0.00 H new ATOM 0 HB3 TYR B 21 0.496 -5.132 8.850 1.00 0.00 H new ATOM 0 HD1 TYR B 21 -2.745 -4.497 7.176 1.00 0.00 H new ATOM 0 HD2 TYR B 21 -0.470 -3.946 10.740 1.00 0.00 H new ATOM 0 HE1 TYR B 21 -4.774 -3.791 8.359 1.00 0.00 H new ATOM 0 HE2 TYR B 21 -2.506 -3.246 11.927 1.00 0.00 H new ATOM 0 HH TYR B 21 -4.689 -2.871 11.805 1.00 0.00 H new ATOM 964 N HIS B 22 1.693 -4.681 5.621 1.00 0.00 N ATOM 965 CA HIS B 22 2.842 -5.250 4.954 1.00 0.00 C ATOM 966 C HIS B 22 3.855 -4.159 4.651 1.00 0.00 C ATOM 967 O HIS B 22 4.991 -4.243 5.075 1.00 0.00 O ATOM 968 CB HIS B 22 2.409 -5.935 3.659 1.00 0.00 C ATOM 969 CG HIS B 22 3.280 -7.083 3.259 1.00 0.00 C ATOM 970 ND1 HIS B 22 4.625 -6.966 2.991 1.00 0.00 N ATOM 971 CD2 HIS B 22 2.978 -8.389 3.082 1.00 0.00 C ATOM 972 CE1 HIS B 22 5.108 -8.147 2.666 1.00 0.00 C ATOM 973 NE2 HIS B 22 4.130 -9.027 2.711 1.00 0.00 N ATOM 0 H HIS B 22 0.816 -4.796 5.113 1.00 0.00 H new ATOM 0 HA HIS B 22 3.302 -5.991 5.608 1.00 0.00 H new ATOM 0 HB2 HIS B 22 1.385 -6.291 3.773 1.00 0.00 H new ATOM 0 HB3 HIS B 22 2.403 -5.199 2.855 1.00 0.00 H new ATOM 0 HD1 HIS B 22 5.163 -6.101 3.037 1.00 0.00 H new ATOM 0 HD2 HIS B 22 2.007 -8.844 3.210 1.00 0.00 H new ATOM 0 HE1 HIS B 22 6.135 -8.358 2.406 1.00 0.00 H new ATOM 982 N LEU B 23 3.409 -3.112 3.963 1.00 0.00 N ATOM 983 CA LEU B 23 4.284 -2.045 3.530 1.00 0.00 C ATOM 984 C LEU B 23 4.852 -1.311 4.721 1.00 0.00 C ATOM 985 O LEU B 23 6.012 -0.955 4.714 1.00 0.00 O ATOM 986 CB LEU B 23 3.543 -1.070 2.612 1.00 0.00 C ATOM 987 CG LEU B 23 3.089 -1.655 1.273 1.00 0.00 C ATOM 988 CD1 LEU B 23 2.319 -0.619 0.470 1.00 0.00 C ATOM 989 CD2 LEU B 23 4.285 -2.156 0.478 1.00 0.00 C ATOM 0 H LEU B 23 2.433 -2.986 3.694 1.00 0.00 H new ATOM 0 HA LEU B 23 5.105 -2.489 2.967 1.00 0.00 H new ATOM 0 HB2 LEU B 23 2.668 -0.692 3.141 1.00 0.00 H new ATOM 0 HB3 LEU B 23 4.191 -0.216 2.416 1.00 0.00 H new ATOM 0 HG LEU B 23 2.428 -2.498 1.475 1.00 0.00 H new ATOM 0 HD11 LEU B 23 2.005 -1.054 -0.479 1.00 0.00 H new ATOM 0 HD12 LEU B 23 1.441 -0.302 1.032 1.00 0.00 H new ATOM 0 HD13 LEU B 23 2.959 0.243 0.280 1.00 0.00 H new ATOM 0 HD21 LEU B 23 3.944 -2.569 -0.471 1.00 0.00 H new ATOM 0 HD22 LEU B 23 4.969 -1.328 0.289 1.00 0.00 H new ATOM 0 HD23 LEU B 23 4.801 -2.930 1.046 1.00 0.00 H new ATOM 1001 N GLU B 24 4.033 -1.109 5.753 1.00 0.00 N ATOM 1002 CA GLU B 24 4.477 -0.439 6.955 1.00 0.00 C ATOM 1003 C GLU B 24 5.617 -1.215 7.580 1.00 0.00 C ATOM 1004 O GLU B 24 6.566 -0.621 8.059 1.00 0.00 O ATOM 1005 CB GLU B 24 3.335 -0.288 7.965 1.00 0.00 C ATOM 1006 CG GLU B 24 2.194 0.597 7.489 1.00 0.00 C ATOM 1007 CD GLU B 24 1.224 0.937 8.604 1.00 0.00 C ATOM 1008 OE1 GLU B 24 0.348 0.105 8.924 1.00 0.00 O ATOM 1009 OE2 GLU B 24 1.342 2.040 9.182 1.00 0.00 O ATOM 0 H GLU B 24 3.057 -1.404 5.771 1.00 0.00 H new ATOM 0 HA GLU B 24 4.818 0.559 6.681 1.00 0.00 H new ATOM 0 HB2 GLU B 24 2.940 -1.276 8.200 1.00 0.00 H new ATOM 0 HB3 GLU B 24 3.736 0.123 8.891 1.00 0.00 H new ATOM 0 HG2 GLU B 24 2.601 1.518 7.072 1.00 0.00 H new ATOM 0 HG3 GLU B 24 1.657 0.093 6.685 1.00 0.00 H new ATOM 1016 N ASN B 25 5.527 -2.542 7.530 1.00 0.00 N ATOM 1017 CA ASN B 25 6.541 -3.405 8.096 1.00 0.00 C ATOM 1018 C ASN B 25 7.834 -3.245 7.330 1.00 0.00 C ATOM 1019 O ASN B 25 8.870 -3.083 7.942 1.00 0.00 O ATOM 1020 CB ASN B 25 6.093 -4.870 8.081 1.00 0.00 C ATOM 1021 CG ASN B 25 7.119 -5.794 8.718 1.00 0.00 C ATOM 1022 OD1 ASN B 25 7.988 -6.343 8.041 1.00 0.00 O ATOM 1023 ND2 ASN B 25 7.032 -5.961 10.030 1.00 0.00 N ATOM 0 H ASN B 25 4.750 -3.040 7.096 1.00 0.00 H new ATOM 0 HA ASN B 25 6.699 -3.114 9.135 1.00 0.00 H new ATOM 0 HB2 ASN B 25 5.145 -4.963 8.611 1.00 0.00 H new ATOM 0 HB3 ASN B 25 5.915 -5.183 7.052 1.00 0.00 H new ATOM 0 HD21 ASN B 25 7.700 -6.562 10.513 1.00 0.00 H new ATOM 0 HD22 ASN B 25 6.297 -5.489 10.557 1.00 0.00 H new ATOM 1030 N GLU B 26 7.747 -3.243 5.997 1.00 0.00 N ATOM 1031 CA GLU B 26 8.907 -3.083 5.133 1.00 0.00 C ATOM 1032 C GLU B 26 9.744 -1.898 5.569 1.00 0.00 C ATOM 1033 O GLU B 26 10.951 -2.007 5.656 1.00 0.00 O ATOM 1034 CB GLU B 26 8.489 -2.896 3.672 1.00 0.00 C ATOM 1035 CG GLU B 26 8.605 -4.152 2.823 1.00 0.00 C ATOM 1036 CD GLU B 26 7.598 -5.222 3.188 1.00 0.00 C ATOM 1037 OE1 GLU B 26 6.430 -5.114 2.754 1.00 0.00 O ATOM 1038 OE2 GLU B 26 7.976 -6.193 3.876 1.00 0.00 O ATOM 0 H GLU B 26 6.868 -3.353 5.492 1.00 0.00 H new ATOM 0 HA GLU B 26 9.500 -3.994 5.216 1.00 0.00 H new ATOM 0 HB2 GLU B 26 7.457 -2.546 3.643 1.00 0.00 H new ATOM 0 HB3 GLU B 26 9.104 -2.113 3.228 1.00 0.00 H new ATOM 0 HG2 GLU B 26 8.476 -3.885 1.774 1.00 0.00 H new ATOM 0 HG3 GLU B 26 9.611 -4.560 2.927 1.00 0.00 H new ATOM 1045 N VAL B 27 9.083 -0.784 5.870 1.00 0.00 N ATOM 1046 CA VAL B 27 9.761 0.424 6.298 1.00 0.00 C ATOM 1047 C VAL B 27 10.636 0.139 7.508 1.00 0.00 C ATOM 1048 O VAL B 27 11.839 0.326 7.450 1.00 0.00 O ATOM 1049 CB VAL B 27 8.757 1.548 6.642 1.00 0.00 C ATOM 1050 CG1 VAL B 27 9.488 2.825 7.025 1.00 0.00 C ATOM 1051 CG2 VAL B 27 7.812 1.801 5.476 1.00 0.00 C ATOM 0 H VAL B 27 8.068 -0.698 5.823 1.00 0.00 H new ATOM 0 HA VAL B 27 10.382 0.761 5.468 1.00 0.00 H new ATOM 0 HB VAL B 27 8.165 1.224 7.498 1.00 0.00 H new ATOM 0 HG11 VAL B 27 8.762 3.602 7.263 1.00 0.00 H new ATOM 0 HG12 VAL B 27 10.117 2.637 7.895 1.00 0.00 H new ATOM 0 HG13 VAL B 27 10.110 3.152 6.192 1.00 0.00 H new ATOM 0 HG21 VAL B 27 7.114 2.596 5.739 1.00 0.00 H new ATOM 0 HG22 VAL B 27 8.387 2.099 4.599 1.00 0.00 H new ATOM 0 HG23 VAL B 27 7.257 0.890 5.253 1.00 0.00 H new ATOM 1061 N ALA B 28 10.025 -0.362 8.580 1.00 0.00 N ATOM 1062 CA ALA B 28 10.732 -0.649 9.814 1.00 0.00 C ATOM 1063 C ALA B 28 11.772 -1.723 9.585 1.00 0.00 C ATOM 1064 O ALA B 28 12.895 -1.600 10.037 1.00 0.00 O ATOM 1065 CB ALA B 28 9.756 -1.073 10.902 1.00 0.00 C ATOM 0 H ALA B 28 9.029 -0.578 8.612 1.00 0.00 H new ATOM 0 HA ALA B 28 11.238 0.259 10.143 1.00 0.00 H new ATOM 0 HB1 ALA B 28 10.304 -1.284 11.820 1.00 0.00 H new ATOM 0 HB2 ALA B 28 9.041 -0.270 11.083 1.00 0.00 H new ATOM 0 HB3 ALA B 28 9.223 -1.969 10.584 1.00 0.00 H new ATOM 1071 N ARG B 29 11.374 -2.743 8.839 1.00 0.00 N ATOM 1072 CA ARG B 29 12.207 -3.877 8.503 1.00 0.00 C ATOM 1073 C ARG B 29 13.542 -3.404 7.952 1.00 0.00 C ATOM 1074 O ARG B 29 14.577 -3.914 8.333 1.00 0.00 O ATOM 1075 CB ARG B 29 11.462 -4.725 7.471 1.00 0.00 C ATOM 1076 CG ARG B 29 12.064 -6.087 7.178 1.00 0.00 C ATOM 1077 CD ARG B 29 11.174 -6.846 6.207 1.00 0.00 C ATOM 1078 NE ARG B 29 11.626 -8.215 5.955 1.00 0.00 N ATOM 1079 CZ ARG B 29 10.850 -9.153 5.411 1.00 0.00 C ATOM 1080 NH1 ARG B 29 9.593 -8.868 5.083 1.00 0.00 N ATOM 1081 NH2 ARG B 29 11.326 -10.375 5.192 1.00 0.00 N ATOM 0 H ARG B 29 10.436 -2.802 8.442 1.00 0.00 H new ATOM 0 HA ARG B 29 12.411 -4.474 9.392 1.00 0.00 H new ATOM 0 HB2 ARG B 29 10.438 -4.868 7.817 1.00 0.00 H new ATOM 0 HB3 ARG B 29 11.408 -4.164 6.538 1.00 0.00 H new ATOM 0 HG2 ARG B 29 13.062 -5.970 6.755 1.00 0.00 H new ATOM 0 HG3 ARG B 29 12.174 -6.653 8.103 1.00 0.00 H new ATOM 0 HD2 ARG B 29 10.158 -6.873 6.602 1.00 0.00 H new ATOM 0 HD3 ARG B 29 11.135 -6.304 5.262 1.00 0.00 H new ATOM 0 HE ARG B 29 12.582 -8.464 6.208 1.00 0.00 H new ATOM 0 HH11 ARG B 29 9.223 -7.932 5.248 1.00 0.00 H new ATOM 0 HH12 ARG B 29 8.999 -9.585 4.667 1.00 0.00 H new ATOM 0 HH21 ARG B 29 12.290 -10.599 5.440 1.00 0.00 H new ATOM 0 HH22 ARG B 29 10.728 -11.088 4.776 1.00 0.00 H new ATOM 1095 N LEU B 30 13.504 -2.398 7.087 1.00 0.00 N ATOM 1096 CA LEU B 30 14.694 -1.902 6.439 1.00 0.00 C ATOM 1097 C LEU B 30 15.396 -0.875 7.316 1.00 0.00 C ATOM 1098 O LEU B 30 16.575 -1.020 7.587 1.00 0.00 O ATOM 1099 CB LEU B 30 14.332 -1.303 5.067 1.00 0.00 C ATOM 1100 CG LEU B 30 15.501 -1.079 4.097 1.00 0.00 C ATOM 1101 CD1 LEU B 30 14.984 -0.979 2.670 1.00 0.00 C ATOM 1102 CD2 LEU B 30 16.276 0.180 4.454 1.00 0.00 C ATOM 0 H LEU B 30 12.648 -1.911 6.821 1.00 0.00 H new ATOM 0 HA LEU B 30 15.384 -2.732 6.284 1.00 0.00 H new ATOM 0 HB2 LEU B 30 13.608 -1.961 4.586 1.00 0.00 H new ATOM 0 HB3 LEU B 30 13.834 -0.347 5.231 1.00 0.00 H new ATOM 0 HG LEU B 30 16.176 -1.931 4.179 1.00 0.00 H new ATOM 0 HD11 LEU B 30 15.821 -0.820 1.990 1.00 0.00 H new ATOM 0 HD12 LEU B 30 14.470 -1.903 2.404 1.00 0.00 H new ATOM 0 HD13 LEU B 30 14.290 -0.142 2.592 1.00 0.00 H new ATOM 0 HD21 LEU B 30 17.098 0.313 3.750 1.00 0.00 H new ATOM 0 HD22 LEU B 30 15.612 1.043 4.404 1.00 0.00 H new ATOM 0 HD23 LEU B 30 16.675 0.088 5.464 1.00 0.00 H new ATOM 1114 N LYS B 31 14.655 0.131 7.789 1.00 0.00 N ATOM 1115 CA LYS B 31 15.246 1.273 8.467 1.00 0.00 C ATOM 1116 C LYS B 31 16.055 0.845 9.677 1.00 0.00 C ATOM 1117 O LYS B 31 17.134 1.360 9.890 1.00 0.00 O ATOM 1118 CB LYS B 31 14.182 2.311 8.868 1.00 0.00 C ATOM 1119 CG LYS B 31 13.181 1.831 9.909 1.00 0.00 C ATOM 1120 CD LYS B 31 12.171 2.914 10.254 1.00 0.00 C ATOM 1121 CE LYS B 31 11.097 2.396 11.197 1.00 0.00 C ATOM 1122 NZ LYS B 31 10.028 3.398 11.423 1.00 0.00 N ATOM 0 H LYS B 31 13.639 0.171 7.711 1.00 0.00 H new ATOM 0 HA LYS B 31 15.924 1.746 7.756 1.00 0.00 H new ATOM 0 HB2 LYS B 31 14.687 3.198 9.252 1.00 0.00 H new ATOM 0 HB3 LYS B 31 13.637 2.616 7.974 1.00 0.00 H new ATOM 0 HG2 LYS B 31 12.658 0.951 9.534 1.00 0.00 H new ATOM 0 HG3 LYS B 31 13.711 1.526 10.811 1.00 0.00 H new ATOM 0 HD2 LYS B 31 12.684 3.758 10.715 1.00 0.00 H new ATOM 0 HD3 LYS B 31 11.706 3.284 9.340 1.00 0.00 H new ATOM 0 HE2 LYS B 31 10.660 1.486 10.785 1.00 0.00 H new ATOM 0 HE3 LYS B 31 11.551 2.128 12.151 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 9.316 3.006 12.071 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 10.440 4.257 11.840 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 9.577 3.635 10.516 1.00 0.00 H new ATOM 1136 N LYS B 32 15.558 -0.125 10.442 1.00 0.00 N ATOM 1137 CA LYS B 32 16.267 -0.580 11.632 1.00 0.00 C ATOM 1138 C LYS B 32 17.646 -1.134 11.266 1.00 0.00 C ATOM 1139 O LYS B 32 18.611 -0.978 12.016 1.00 0.00 O ATOM 1140 CB LYS B 32 15.452 -1.644 12.381 1.00 0.00 C ATOM 1141 CG LYS B 32 16.165 -2.190 13.608 1.00 0.00 C ATOM 1142 CD LYS B 32 16.446 -1.090 14.621 1.00 0.00 C ATOM 1143 CE LYS B 32 17.555 -1.485 15.588 1.00 0.00 C ATOM 1144 NZ LYS B 32 17.205 -2.678 16.405 1.00 0.00 N ATOM 0 H LYS B 32 14.677 -0.605 10.261 1.00 0.00 H new ATOM 0 HA LYS B 32 16.401 0.280 12.289 1.00 0.00 H new ATOM 0 HB2 LYS B 32 14.497 -1.214 12.685 1.00 0.00 H new ATOM 0 HB3 LYS B 32 15.229 -2.467 11.702 1.00 0.00 H new ATOM 0 HG2 LYS B 32 15.555 -2.966 14.071 1.00 0.00 H new ATOM 0 HG3 LYS B 32 17.102 -2.659 13.308 1.00 0.00 H new ATOM 0 HD2 LYS B 32 16.728 -0.176 14.097 1.00 0.00 H new ATOM 0 HD3 LYS B 32 15.537 -0.869 15.180 1.00 0.00 H new ATOM 0 HE2 LYS B 32 18.466 -1.689 15.026 1.00 0.00 H new ATOM 0 HE3 LYS B 32 17.770 -0.646 16.250 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 17.971 -2.873 17.080 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 16.323 -2.496 16.925 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 17.076 -3.500 15.781 1.00 0.00 H new ATOM 1158 N LEU B 33 17.739 -1.750 10.093 1.00 0.00 N ATOM 1159 CA LEU B 33 18.975 -2.385 9.662 1.00 0.00 C ATOM 1160 C LEU B 33 19.919 -1.347 9.056 1.00 0.00 C ATOM 1161 O LEU B 33 21.114 -1.342 9.345 1.00 0.00 O ATOM 1162 CB LEU B 33 18.665 -3.507 8.655 1.00 0.00 C ATOM 1163 CG LEU B 33 19.742 -4.591 8.485 1.00 0.00 C ATOM 1164 CD1 LEU B 33 20.939 -4.071 7.707 1.00 0.00 C ATOM 1165 CD2 LEU B 33 20.182 -5.115 9.843 1.00 0.00 C ATOM 0 H LEU B 33 16.972 -1.822 9.425 1.00 0.00 H new ATOM 0 HA LEU B 33 19.471 -2.828 10.526 1.00 0.00 H new ATOM 0 HB2 LEU B 33 17.737 -3.992 8.959 1.00 0.00 H new ATOM 0 HB3 LEU B 33 18.482 -3.051 7.682 1.00 0.00 H new ATOM 0 HG LEU B 33 19.304 -5.409 7.913 1.00 0.00 H new ATOM 0 HD11 LEU B 33 21.680 -4.864 7.606 1.00 0.00 H new ATOM 0 HD12 LEU B 33 20.617 -3.747 6.717 1.00 0.00 H new ATOM 0 HD13 LEU B 33 21.380 -3.228 8.239 1.00 0.00 H new ATOM 0 HD21 LEU B 33 20.945 -5.882 9.707 1.00 0.00 H new ATOM 0 HD22 LEU B 33 20.592 -4.296 10.434 1.00 0.00 H new ATOM 0 HD23 LEU B 33 19.325 -5.544 10.363 1.00 0.00 H new ATOM 1177 N VAL B 34 19.372 -0.448 8.239 1.00 0.00 N ATOM 1178 CA VAL B 34 20.185 0.557 7.557 1.00 0.00 C ATOM 1179 C VAL B 34 20.751 1.576 8.551 1.00 0.00 C ATOM 1180 O VAL B 34 21.779 2.208 8.295 1.00 0.00 O ATOM 1181 CB VAL B 34 19.386 1.280 6.442 1.00 0.00 C ATOM 1182 CG1 VAL B 34 18.301 2.178 7.019 1.00 0.00 C ATOM 1183 CG2 VAL B 34 20.320 2.074 5.539 1.00 0.00 C ATOM 0 H VAL B 34 18.374 -0.395 8.034 1.00 0.00 H new ATOM 0 HA VAL B 34 21.016 0.031 7.088 1.00 0.00 H new ATOM 0 HB VAL B 34 18.893 0.515 5.843 1.00 0.00 H new ATOM 0 HG11 VAL B 34 17.763 2.667 6.207 1.00 0.00 H new ATOM 0 HG12 VAL B 34 17.605 1.577 7.605 1.00 0.00 H new ATOM 0 HG13 VAL B 34 18.756 2.934 7.659 1.00 0.00 H new ATOM 0 HG21 VAL B 34 19.739 2.573 4.764 1.00 0.00 H new ATOM 0 HG22 VAL B 34 20.852 2.819 6.131 1.00 0.00 H new ATOM 0 HG23 VAL B 34 21.039 1.399 5.075 1.00 0.00 H new ATOM 1193 N GLY B 35 20.081 1.722 9.690 1.00 0.00 N ATOM 1194 CA GLY B 35 20.586 2.587 10.741 1.00 0.00 C ATOM 1195 C GLY B 35 21.777 1.967 11.450 1.00 0.00 C ATOM 1196 O GLY B 35 22.613 2.674 12.015 1.00 0.00 O ATOM 0 H GLY B 35 19.198 1.257 9.904 1.00 0.00 H new ATOM 0 HA2 GLY B 35 20.875 3.548 10.315 1.00 0.00 H new ATOM 0 HA3 GLY B 35 19.794 2.784 11.463 1.00 0.00 H new