USER MOD reduce.3.24.130724 H: found=0, std=0, add=482, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 482 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 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.2: A 35 SER OG : rot -130:sc= 0 USER MOD Single : A 1 THR N :NH3+ 146:sc= -0.0168 (180deg=-0.417) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 THR OG1 : rot 79:sc= 0.42 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 104:sc= 0.551 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 MET CE :methyl -174:sc= 0 (180deg=-0.0361) USER MOD Single : A 43 SER OG : rot -69:sc= 0.489 USER MOD Single : A 45 THR OG1 : rot 174:sc= 0.38 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.0982) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 -12.753 -0.401 -23.164 1.00 0.00 N ATOM 2 CA THR A 1 -13.353 -1.714 -23.512 1.00 0.00 C ATOM 3 C THR A 1 -13.613 -2.542 -22.199 1.00 0.00 C ATOM 4 O THR A 1 -12.796 -3.411 -21.876 1.00 0.00 O ATOM 5 CB THR A 1 -12.534 -2.408 -24.636 1.00 0.00 C ATOM 6 OG1 THR A 1 -13.158 -3.636 -24.994 1.00 0.00 O ATOM 7 CG2 THR A 1 -11.055 -2.681 -24.320 1.00 0.00 C ATOM 0 H1 THR A 1 -12.086 -0.115 -23.909 1.00 0.00 H new ATOM 0 H2 THR A 1 -13.505 0.313 -23.080 1.00 0.00 H new ATOM 0 H3 THR A 1 -12.247 -0.479 -22.259 1.00 0.00 H new ATOM 0 HA THR A 1 -14.341 -1.600 -23.958 1.00 0.00 H new ATOM 0 HB THR A 1 -12.530 -1.689 -25.455 1.00 0.00 H new ATOM 0 HG1 THR A 1 -12.641 -4.071 -25.704 1.00 0.00 H new ATOM 0 HG21 THR A 1 -10.584 -3.167 -25.174 1.00 0.00 H new ATOM 0 HG22 THR A 1 -10.547 -1.739 -24.113 1.00 0.00 H new ATOM 0 HG23 THR A 1 -10.983 -3.331 -23.448 1.00 0.00 H new ATOM 17 N PRO A 2 -14.708 -2.323 -21.407 1.00 0.00 N ATOM 18 CA PRO A 2 -14.850 -2.921 -20.053 1.00 0.00 C ATOM 19 C PRO A 2 -15.553 -4.313 -20.096 1.00 0.00 C ATOM 20 O PRO A 2 -16.625 -4.468 -20.691 1.00 0.00 O ATOM 21 CB PRO A 2 -15.674 -1.838 -19.307 1.00 0.00 C ATOM 22 CG PRO A 2 -16.518 -1.150 -20.381 1.00 0.00 C ATOM 23 CD PRO A 2 -15.672 -1.234 -21.653 1.00 0.00 C ATOM 0 HA PRO A 2 -13.902 -3.143 -19.564 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -16.305 -2.286 -18.540 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -15.020 -1.124 -18.806 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -17.478 -1.650 -20.510 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -16.731 -0.115 -20.115 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -16.292 -1.446 -22.524 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -15.160 -0.292 -21.848 1.00 0.00 H new ATOM 31 N ASP A 3 -14.934 -5.310 -19.433 1.00 0.00 N ATOM 32 CA ASP A 3 -15.475 -6.694 -19.351 1.00 0.00 C ATOM 33 C ASP A 3 -16.584 -6.764 -18.264 1.00 0.00 C ATOM 34 O ASP A 3 -16.355 -6.449 -17.091 1.00 0.00 O ATOM 35 CB ASP A 3 -14.302 -7.675 -19.085 1.00 0.00 C ATOM 36 CG ASP A 3 -14.676 -9.160 -19.199 1.00 0.00 C ATOM 37 OD1 ASP A 3 -14.620 -9.715 -20.318 1.00 0.00 O ATOM 38 OD2 ASP A 3 -15.032 -9.775 -18.169 1.00 0.00 O ATOM 0 H ASP A 3 -14.050 -5.187 -18.940 1.00 0.00 H new ATOM 0 HA ASP A 3 -15.943 -6.986 -20.291 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -13.499 -7.460 -19.790 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -13.908 -7.488 -18.086 1.00 0.00 H new ATOM 43 N VAL A 4 -17.792 -7.160 -18.698 1.00 0.00 N ATOM 44 CA VAL A 4 -19.036 -7.004 -17.892 1.00 0.00 C ATOM 45 C VAL A 4 -19.282 -8.309 -17.050 1.00 0.00 C ATOM 46 O VAL A 4 -18.955 -9.422 -17.482 1.00 0.00 O ATOM 47 CB VAL A 4 -20.272 -6.661 -18.805 1.00 0.00 C ATOM 48 CG1 VAL A 4 -21.501 -6.193 -17.994 1.00 0.00 C ATOM 49 CG2 VAL A 4 -20.022 -5.594 -19.906 1.00 0.00 C ATOM 0 H VAL A 4 -17.944 -7.595 -19.608 1.00 0.00 H new ATOM 0 HA VAL A 4 -18.911 -6.165 -17.207 1.00 0.00 H new ATOM 0 HB VAL A 4 -20.458 -7.617 -19.295 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -22.323 -5.970 -18.675 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -21.804 -6.981 -17.305 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -21.245 -5.297 -17.429 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -20.939 -5.436 -20.474 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -19.717 -4.656 -19.441 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -19.235 -5.940 -20.576 1.00 0.00 H new ATOM 59 N SER A 5 -19.910 -8.167 -15.864 1.00 0.00 N ATOM 60 CA SER A 5 -20.457 -9.314 -15.087 1.00 0.00 C ATOM 61 C SER A 5 -21.644 -8.757 -14.245 1.00 0.00 C ATOM 62 O SER A 5 -21.522 -8.532 -13.036 1.00 0.00 O ATOM 63 CB SER A 5 -19.350 -9.996 -14.245 1.00 0.00 C ATOM 64 OG SER A 5 -19.862 -11.139 -13.571 1.00 0.00 O ATOM 0 H SER A 5 -20.055 -7.263 -15.415 1.00 0.00 H new ATOM 0 HA SER A 5 -20.827 -10.108 -15.736 1.00 0.00 H new ATOM 0 HB2 SER A 5 -18.523 -10.289 -14.892 1.00 0.00 H new ATOM 0 HB3 SER A 5 -18.951 -9.288 -13.519 1.00 0.00 H new ATOM 0 HG SER A 5 -19.148 -11.557 -13.046 1.00 0.00 H new ATOM 70 N SER A 6 -22.778 -8.464 -14.924 1.00 0.00 N ATOM 71 CA SER A 6 -23.864 -7.574 -14.412 1.00 0.00 C ATOM 72 C SER A 6 -23.396 -6.225 -13.756 1.00 0.00 C ATOM 73 O SER A 6 -23.691 -5.947 -12.589 1.00 0.00 O ATOM 74 CB SER A 6 -24.883 -8.391 -13.581 1.00 0.00 C ATOM 75 OG SER A 6 -26.059 -7.630 -13.328 1.00 0.00 O ATOM 0 H SER A 6 -22.973 -8.839 -15.852 1.00 0.00 H new ATOM 0 HA SER A 6 -24.389 -7.195 -15.289 1.00 0.00 H new ATOM 0 HB2 SER A 6 -25.144 -9.305 -14.115 1.00 0.00 H new ATOM 0 HB3 SER A 6 -24.430 -8.692 -12.637 1.00 0.00 H new ATOM 0 HG SER A 6 -26.689 -8.166 -12.803 1.00 0.00 H new ATOM 81 N ALA A 7 -22.649 -5.413 -14.530 1.00 0.00 N ATOM 82 CA ALA A 7 -22.084 -4.113 -14.072 1.00 0.00 C ATOM 83 C ALA A 7 -22.608 -2.977 -14.991 1.00 0.00 C ATOM 84 O ALA A 7 -23.422 -2.168 -14.539 1.00 0.00 O ATOM 85 CB ALA A 7 -20.545 -4.209 -13.993 1.00 0.00 C ATOM 0 H ALA A 7 -22.415 -5.635 -15.498 1.00 0.00 H new ATOM 0 HA ALA A 7 -22.417 -3.871 -13.063 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -20.138 -3.255 -13.658 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -20.265 -4.991 -13.288 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -20.144 -4.448 -14.978 1.00 0.00 H new ATOM 91 N LEU A 8 -22.221 -2.961 -16.285 1.00 0.00 N ATOM 92 CA LEU A 8 -22.896 -2.172 -17.341 1.00 0.00 C ATOM 93 C LEU A 8 -24.389 -2.556 -17.653 1.00 0.00 C ATOM 94 O LEU A 8 -25.075 -1.758 -18.294 1.00 0.00 O ATOM 95 CB LEU A 8 -22.001 -2.297 -18.613 1.00 0.00 C ATOM 96 CG LEU A 8 -20.682 -1.472 -18.733 1.00 0.00 C ATOM 97 CD1 LEU A 8 -20.913 0.049 -18.669 1.00 0.00 C ATOM 98 CD2 LEU A 8 -19.563 -1.894 -17.761 1.00 0.00 C ATOM 0 H LEU A 8 -21.426 -3.499 -16.630 1.00 0.00 H new ATOM 0 HA LEU A 8 -22.992 -1.147 -16.982 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -21.734 -3.349 -18.717 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -22.622 -2.039 -19.471 1.00 0.00 H new ATOM 0 HG LEU A 8 -20.323 -1.719 -19.732 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -19.958 0.566 -18.758 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -21.567 0.352 -19.486 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -21.378 0.307 -17.717 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -18.687 -1.264 -17.919 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -19.911 -1.781 -16.734 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -19.298 -2.936 -17.941 1.00 0.00 H new ATOM 110 N ASP A 9 -24.914 -3.712 -17.181 1.00 0.00 N ATOM 111 CA ASP A 9 -26.378 -3.987 -17.110 1.00 0.00 C ATOM 112 C ASP A 9 -27.151 -3.027 -16.142 1.00 0.00 C ATOM 113 O ASP A 9 -28.148 -2.432 -16.562 1.00 0.00 O ATOM 114 CB ASP A 9 -26.573 -5.486 -16.740 1.00 0.00 C ATOM 115 CG ASP A 9 -27.999 -6.017 -16.943 1.00 0.00 C ATOM 116 OD1 ASP A 9 -28.351 -6.384 -18.086 1.00 0.00 O ATOM 117 OD2 ASP A 9 -28.771 -6.066 -15.960 1.00 0.00 O ATOM 0 H ASP A 9 -24.340 -4.482 -16.838 1.00 0.00 H new ATOM 0 HA ASP A 9 -26.817 -3.786 -18.087 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -25.888 -6.086 -17.339 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -26.292 -5.628 -15.696 1.00 0.00 H new ATOM 122 N LYS A 10 -26.689 -2.871 -14.880 1.00 0.00 N ATOM 123 CA LYS A 10 -27.282 -1.926 -13.892 1.00 0.00 C ATOM 124 C LYS A 10 -27.111 -0.429 -14.301 1.00 0.00 C ATOM 125 O LYS A 10 -28.120 0.247 -14.522 1.00 0.00 O ATOM 126 CB LYS A 10 -26.720 -2.279 -12.482 1.00 0.00 C ATOM 127 CG LYS A 10 -27.326 -1.524 -11.279 1.00 0.00 C ATOM 128 CD LYS A 10 -28.808 -1.845 -10.995 1.00 0.00 C ATOM 129 CE LYS A 10 -29.339 -1.115 -9.750 1.00 0.00 C ATOM 130 NZ LYS A 10 -30.755 -1.435 -9.499 1.00 0.00 N ATOM 0 H LYS A 10 -25.894 -3.395 -14.513 1.00 0.00 H new ATOM 0 HA LYS A 10 -28.365 -2.048 -13.867 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -26.862 -3.347 -12.318 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -25.645 -2.097 -12.490 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -26.741 -1.757 -10.389 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -27.228 -0.453 -11.453 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -29.409 -1.566 -11.860 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -28.924 -2.920 -10.859 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -28.742 -1.394 -8.881 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -29.226 -0.039 -9.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -31.081 -0.926 -8.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -31.327 -1.146 -10.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -30.858 -2.459 -9.349 1.00 0.00 H new ATOM 144 N LEU A 11 -25.861 0.062 -14.452 1.00 0.00 N ATOM 145 CA LEU A 11 -25.567 1.360 -15.113 1.00 0.00 C ATOM 146 C LEU A 11 -25.474 1.167 -16.663 1.00 0.00 C ATOM 147 O LEU A 11 -24.383 1.143 -17.237 1.00 0.00 O ATOM 148 CB LEU A 11 -24.336 2.079 -14.481 1.00 0.00 C ATOM 149 CG LEU A 11 -22.977 1.316 -14.378 1.00 0.00 C ATOM 150 CD1 LEU A 11 -21.776 2.256 -14.593 1.00 0.00 C ATOM 151 CD2 LEU A 11 -22.821 0.583 -13.029 1.00 0.00 C ATOM 0 H LEU A 11 -25.028 -0.426 -14.122 1.00 0.00 H new ATOM 0 HA LEU A 11 -26.397 2.043 -14.934 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -24.158 2.989 -15.054 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -24.617 2.386 -13.474 1.00 0.00 H new ATOM 0 HG LEU A 11 -22.990 0.572 -15.175 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -20.850 1.687 -14.513 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -21.840 2.708 -15.583 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -21.787 3.039 -13.835 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -21.861 0.067 -13.004 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -22.866 1.306 -12.215 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -23.626 -0.143 -12.914 1.00 0.00 H new ATOM 163 N LYS A 12 -26.634 1.034 -17.340 1.00 0.00 N ATOM 164 CA LYS A 12 -26.727 1.007 -18.830 1.00 0.00 C ATOM 165 C LYS A 12 -26.805 2.415 -19.496 1.00 0.00 C ATOM 166 O LYS A 12 -26.160 2.631 -20.525 1.00 0.00 O ATOM 167 CB LYS A 12 -27.859 0.040 -19.281 1.00 0.00 C ATOM 168 CG LYS A 12 -29.306 0.366 -18.833 1.00 0.00 C ATOM 169 CD LYS A 12 -30.323 -0.712 -19.252 1.00 0.00 C ATOM 170 CE LYS A 12 -31.751 -0.386 -18.779 1.00 0.00 C ATOM 171 NZ LYS A 12 -32.705 -1.433 -19.187 1.00 0.00 N ATOM 0 H LYS A 12 -27.538 0.942 -16.876 1.00 0.00 H new ATOM 0 HA LYS A 12 -25.782 0.611 -19.201 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -27.847 -0.005 -20.370 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -27.612 -0.958 -18.918 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -29.328 0.477 -17.749 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -29.605 1.324 -19.258 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -30.316 -0.812 -20.337 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -30.018 -1.675 -18.842 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -31.762 -0.284 -17.694 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -32.063 0.573 -19.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -33.658 -1.184 -18.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -32.711 -1.512 -20.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -32.420 -2.343 -18.772 1.00 0.00 H new ATOM 185 N GLU A 13 -27.579 3.353 -18.917 1.00 0.00 N ATOM 186 CA GLU A 13 -27.670 4.765 -19.380 1.00 0.00 C ATOM 187 C GLU A 13 -26.470 5.651 -18.922 1.00 0.00 C ATOM 188 O GLU A 13 -25.858 6.312 -19.766 1.00 0.00 O ATOM 189 CB GLU A 13 -29.073 5.364 -19.062 1.00 0.00 C ATOM 190 CG GLU A 13 -29.497 5.627 -17.593 1.00 0.00 C ATOM 191 CD GLU A 13 -29.672 4.379 -16.716 1.00 0.00 C ATOM 192 OE1 GLU A 13 -30.704 3.683 -16.852 1.00 0.00 O ATOM 193 OE2 GLU A 13 -28.775 4.083 -15.897 1.00 0.00 O ATOM 0 H GLU A 13 -28.167 3.157 -18.107 1.00 0.00 H new ATOM 0 HA GLU A 13 -27.576 4.760 -20.466 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -29.147 6.312 -19.594 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -29.816 4.695 -19.497 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -28.751 6.273 -17.129 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -30.437 6.179 -17.599 1.00 0.00 H new ATOM 200 N PHE A 14 -26.108 5.625 -17.619 1.00 0.00 N ATOM 201 CA PHE A 14 -24.840 6.224 -17.111 1.00 0.00 C ATOM 202 C PHE A 14 -23.546 5.547 -17.673 1.00 0.00 C ATOM 203 O PHE A 14 -22.633 6.277 -18.064 1.00 0.00 O ATOM 204 CB PHE A 14 -24.882 6.287 -15.554 1.00 0.00 C ATOM 205 CG PHE A 14 -23.661 6.960 -14.890 1.00 0.00 C ATOM 206 CD1 PHE A 14 -23.501 8.350 -14.934 1.00 0.00 C ATOM 207 CD2 PHE A 14 -22.666 6.174 -14.297 1.00 0.00 C ATOM 208 CE1 PHE A 14 -22.358 8.941 -14.401 1.00 0.00 C ATOM 209 CE2 PHE A 14 -21.524 6.768 -13.764 1.00 0.00 C ATOM 210 CZ PHE A 14 -21.371 8.151 -13.819 1.00 0.00 C ATOM 0 H PHE A 14 -26.677 5.193 -16.891 1.00 0.00 H new ATOM 0 HA PHE A 14 -24.776 7.242 -17.495 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -25.781 6.824 -15.252 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -24.972 5.272 -15.168 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -24.266 8.966 -15.383 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -22.784 5.101 -14.252 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -22.237 10.014 -14.439 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -20.759 6.157 -13.309 1.00 0.00 H new ATOM 0 HZ PHE A 14 -20.484 8.612 -13.409 1.00 0.00 H new ATOM 220 N GLY A 15 -23.469 4.200 -17.726 1.00 0.00 N ATOM 221 CA GLY A 15 -22.323 3.479 -18.352 1.00 0.00 C ATOM 222 C GLY A 15 -22.004 3.815 -19.825 1.00 0.00 C ATOM 223 O GLY A 15 -20.855 4.137 -20.124 1.00 0.00 O ATOM 0 H GLY A 15 -24.185 3.582 -17.344 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -21.431 3.680 -17.758 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -22.518 2.409 -18.283 1.00 0.00 H new ATOM 227 N ASN A 16 -23.015 3.799 -20.715 1.00 0.00 N ATOM 228 CA ASN A 16 -22.887 4.317 -22.111 1.00 0.00 C ATOM 229 C ASN A 16 -22.365 5.789 -22.266 1.00 0.00 C ATOM 230 O ASN A 16 -21.616 6.052 -23.212 1.00 0.00 O ATOM 231 CB ASN A 16 -24.256 4.110 -22.822 1.00 0.00 C ATOM 232 CG ASN A 16 -24.224 4.245 -24.358 1.00 0.00 C ATOM 233 OD1 ASN A 16 -23.677 3.396 -25.062 1.00 0.00 O ATOM 234 ND2 ASN A 16 -24.804 5.302 -24.906 1.00 0.00 N ATOM 0 H ASN A 16 -23.942 3.431 -20.499 1.00 0.00 H new ATOM 0 HA ASN A 16 -22.093 3.742 -22.586 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -24.633 3.119 -22.568 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -24.967 4.834 -22.424 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -24.800 5.418 -25.919 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -25.255 6.000 -24.315 1.00 0.00 H new ATOM 241 N THR A 17 -22.729 6.721 -21.354 1.00 0.00 N ATOM 242 CA THR A 17 -22.229 8.121 -21.347 1.00 0.00 C ATOM 243 C THR A 17 -20.679 8.210 -21.152 1.00 0.00 C ATOM 244 O THR A 17 -20.015 8.717 -22.061 1.00 0.00 O ATOM 245 CB THR A 17 -23.069 8.943 -20.321 1.00 0.00 C ATOM 246 OG1 THR A 17 -24.462 8.846 -20.616 1.00 0.00 O ATOM 247 CG2 THR A 17 -22.732 10.438 -20.293 1.00 0.00 C ATOM 0 H THR A 17 -23.382 6.524 -20.596 1.00 0.00 H new ATOM 0 HA THR A 17 -22.375 8.573 -22.328 1.00 0.00 H new ATOM 0 HB THR A 17 -22.820 8.508 -19.353 1.00 0.00 H new ATOM 0 HG1 THR A 17 -24.808 7.992 -20.283 1.00 0.00 H new ATOM 0 HG21 THR A 17 -23.359 10.938 -19.555 1.00 0.00 H new ATOM 0 HG22 THR A 17 -21.683 10.570 -20.028 1.00 0.00 H new ATOM 0 HG23 THR A 17 -22.914 10.871 -21.277 1.00 0.00 H new ATOM 255 N LEU A 18 -20.105 7.714 -20.029 1.00 0.00 N ATOM 256 CA LEU A 18 -18.619 7.681 -19.831 1.00 0.00 C ATOM 257 C LEU A 18 -17.777 6.559 -20.528 1.00 0.00 C ATOM 258 O LEU A 18 -16.546 6.568 -20.437 1.00 0.00 O ATOM 259 CB LEU A 18 -18.239 7.932 -18.341 1.00 0.00 C ATOM 260 CG LEU A 18 -18.242 6.743 -17.336 1.00 0.00 C ATOM 261 CD1 LEU A 18 -17.635 7.181 -15.988 1.00 0.00 C ATOM 262 CD2 LEU A 18 -19.637 6.137 -17.099 1.00 0.00 C ATOM 0 H LEU A 18 -20.636 7.332 -19.247 1.00 0.00 H new ATOM 0 HA LEU A 18 -18.287 8.527 -20.433 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -17.240 8.367 -18.328 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -18.921 8.688 -17.953 1.00 0.00 H new ATOM 0 HG LEU A 18 -17.633 5.963 -17.792 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -17.643 6.340 -15.295 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -16.609 7.514 -16.142 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -18.223 7.999 -15.573 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -19.560 5.314 -16.388 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -20.303 6.902 -16.699 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -20.037 5.765 -18.042 1.00 0.00 H new ATOM 274 N GLU A 19 -18.431 5.667 -21.287 1.00 0.00 N ATOM 275 CA GLU A 19 -17.784 4.849 -22.350 1.00 0.00 C ATOM 276 C GLU A 19 -17.439 5.678 -23.626 1.00 0.00 C ATOM 277 O GLU A 19 -16.298 5.606 -24.090 1.00 0.00 O ATOM 278 CB GLU A 19 -18.632 3.597 -22.692 1.00 0.00 C ATOM 279 CG GLU A 19 -18.547 2.451 -21.658 1.00 0.00 C ATOM 280 CD GLU A 19 -19.448 1.265 -22.012 1.00 0.00 C ATOM 281 OE1 GLU A 19 -20.679 1.358 -21.809 1.00 0.00 O ATOM 282 OE2 GLU A 19 -18.930 0.233 -22.492 1.00 0.00 O ATOM 0 H GLU A 19 -19.430 5.484 -21.188 1.00 0.00 H new ATOM 0 HA GLU A 19 -16.832 4.507 -21.944 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -19.674 3.899 -22.793 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -18.315 3.215 -23.663 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -17.515 2.108 -21.586 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -18.825 2.833 -20.676 1.00 0.00 H new ATOM 289 N ASP A 20 -18.381 6.488 -24.164 1.00 0.00 N ATOM 290 CA ASP A 20 -18.083 7.511 -25.207 1.00 0.00 C ATOM 291 C ASP A 20 -17.043 8.603 -24.780 1.00 0.00 C ATOM 292 O ASP A 20 -16.160 8.908 -25.584 1.00 0.00 O ATOM 293 CB ASP A 20 -19.430 8.121 -25.685 1.00 0.00 C ATOM 294 CG ASP A 20 -19.332 8.994 -26.946 1.00 0.00 C ATOM 295 OD1 ASP A 20 -19.400 8.447 -28.069 1.00 0.00 O ATOM 296 OD2 ASP A 20 -19.178 10.230 -26.815 1.00 0.00 O ATOM 0 H ASP A 20 -19.364 6.455 -23.893 1.00 0.00 H new ATOM 0 HA ASP A 20 -17.581 7.009 -26.034 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -20.132 7.310 -25.876 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -19.848 8.721 -24.877 1.00 0.00 H new ATOM 301 N LYS A 21 -17.110 9.152 -23.545 1.00 0.00 N ATOM 302 CA LYS A 21 -16.043 10.039 -22.988 1.00 0.00 C ATOM 303 C LYS A 21 -14.631 9.390 -22.828 1.00 0.00 C ATOM 304 O LYS A 21 -13.638 10.096 -23.008 1.00 0.00 O ATOM 305 CB LYS A 21 -16.467 10.671 -21.631 1.00 0.00 C ATOM 306 CG LYS A 21 -17.717 11.580 -21.622 1.00 0.00 C ATOM 307 CD LYS A 21 -17.581 12.859 -22.474 1.00 0.00 C ATOM 308 CE LYS A 21 -18.778 13.809 -22.312 1.00 0.00 C ATOM 309 NZ LYS A 21 -18.637 15.000 -23.169 1.00 0.00 N ATOM 0 H LYS A 21 -17.892 9.000 -22.908 1.00 0.00 H new ATOM 0 HA LYS A 21 -15.938 10.806 -23.755 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -16.636 9.861 -20.922 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -15.626 11.253 -21.255 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -18.571 11.007 -21.983 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -17.937 11.865 -20.593 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -16.667 13.382 -22.194 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -17.481 12.583 -23.524 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -19.699 13.283 -22.565 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -18.862 14.116 -21.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -19.460 15.622 -23.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -17.770 15.513 -22.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -18.581 14.706 -24.165 1.00 0.00 H new ATOM 323 N ALA A 22 -14.520 8.083 -22.518 1.00 0.00 N ATOM 324 CA ALA A 22 -13.224 7.357 -22.547 1.00 0.00 C ATOM 325 C ALA A 22 -12.632 7.112 -23.968 1.00 0.00 C ATOM 326 O ALA A 22 -11.441 7.370 -24.149 1.00 0.00 O ATOM 327 CB ALA A 22 -13.365 6.047 -21.769 1.00 0.00 C ATOM 0 H ALA A 22 -15.312 7.502 -22.243 1.00 0.00 H new ATOM 0 HA ALA A 22 -12.495 8.011 -22.069 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.417 5.509 -21.787 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.640 6.265 -20.737 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -14.139 5.432 -22.229 1.00 0.00 H new ATOM 333 N ARG A 23 -13.433 6.662 -24.966 1.00 0.00 N ATOM 334 CA ARG A 23 -13.004 6.627 -26.393 1.00 0.00 C ATOM 335 C ARG A 23 -13.237 8.026 -27.056 1.00 0.00 C ATOM 336 O ARG A 23 -14.205 8.246 -27.793 1.00 0.00 O ATOM 337 CB ARG A 23 -13.729 5.493 -27.171 1.00 0.00 C ATOM 338 CG ARG A 23 -13.330 4.030 -26.852 1.00 0.00 C ATOM 339 CD ARG A 23 -14.360 3.204 -26.054 1.00 0.00 C ATOM 340 NE ARG A 23 -14.178 3.281 -24.584 1.00 0.00 N ATOM 341 CZ ARG A 23 -14.849 2.514 -23.701 1.00 0.00 C ATOM 342 NH1 ARG A 23 -15.784 1.628 -24.044 1.00 0.00 N ATOM 343 NH2 ARG A 23 -14.563 2.641 -22.418 1.00 0.00 N ATOM 0 H ARG A 23 -14.381 6.317 -24.812 1.00 0.00 H new ATOM 0 HA ARG A 23 -11.937 6.405 -26.433 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -14.799 5.595 -26.992 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -13.566 5.660 -28.236 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -13.132 3.516 -27.792 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -12.394 4.044 -26.293 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -15.363 3.550 -26.305 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -14.295 2.161 -26.365 1.00 0.00 H new ATOM 0 HE ARG A 23 -13.505 3.955 -24.219 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -16.029 1.499 -25.026 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -16.254 1.079 -23.325 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -13.851 3.306 -22.118 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -15.055 2.074 -21.727 1.00 0.00 H new ATOM 357 N GLU A 24 -12.338 8.970 -26.729 1.00 0.00 N ATOM 358 CA GLU A 24 -12.512 10.441 -26.913 1.00 0.00 C ATOM 359 C GLU A 24 -11.335 11.113 -26.138 1.00 0.00 C ATOM 360 O GLU A 24 -10.510 11.785 -26.763 1.00 0.00 O ATOM 361 CB GLU A 24 -13.900 11.025 -26.484 1.00 0.00 C ATOM 362 CG GLU A 24 -14.113 12.537 -26.710 1.00 0.00 C ATOM 363 CD GLU A 24 -15.436 13.025 -26.113 1.00 0.00 C ATOM 364 OE1 GLU A 24 -16.504 12.790 -26.723 1.00 0.00 O ATOM 365 OE2 GLU A 24 -15.415 13.640 -25.024 1.00 0.00 O ATOM 0 H GLU A 24 -11.436 8.733 -26.315 1.00 0.00 H new ATOM 0 HA GLU A 24 -12.493 10.659 -27.981 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -14.678 10.487 -27.025 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -14.045 10.815 -25.424 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -13.287 13.090 -26.263 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -14.097 12.750 -27.779 1.00 0.00 H new ATOM 372 N LEU A 25 -11.263 10.937 -24.796 1.00 0.00 N ATOM 373 CA LEU A 25 -10.150 11.455 -23.953 1.00 0.00 C ATOM 374 C LEU A 25 -8.837 10.626 -24.109 1.00 0.00 C ATOM 375 O LEU A 25 -7.780 11.223 -24.315 1.00 0.00 O ATOM 376 CB LEU A 25 -10.628 11.558 -22.472 1.00 0.00 C ATOM 377 CG LEU A 25 -11.383 12.851 -22.033 1.00 0.00 C ATOM 378 CD1 LEU A 25 -12.530 13.327 -22.952 1.00 0.00 C ATOM 379 CD2 LEU A 25 -11.916 12.698 -20.595 1.00 0.00 C ATOM 0 H LEU A 25 -11.973 10.433 -24.265 1.00 0.00 H new ATOM 0 HA LEU A 25 -9.889 12.454 -24.301 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -11.279 10.707 -22.272 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -9.753 11.448 -21.831 1.00 0.00 H new ATOM 0 HG LEU A 25 -10.624 13.630 -22.104 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -12.975 14.233 -22.540 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -12.136 13.536 -23.947 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -13.290 12.548 -23.019 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -12.440 13.608 -20.303 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -12.603 11.853 -20.550 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -11.082 12.525 -19.914 1.00 0.00 H new ATOM 391 N ILE A 26 -8.899 9.278 -24.047 1.00 0.00 N ATOM 392 CA ILE A 26 -7.725 8.382 -24.300 1.00 0.00 C ATOM 393 C ILE A 26 -7.290 8.367 -25.810 1.00 0.00 C ATOM 394 O ILE A 26 -6.089 8.275 -26.072 1.00 0.00 O ATOM 395 CB ILE A 26 -7.990 6.959 -23.692 1.00 0.00 C ATOM 396 CG1 ILE A 26 -8.147 7.025 -22.139 1.00 0.00 C ATOM 397 CG2 ILE A 26 -6.896 5.913 -24.044 1.00 0.00 C ATOM 398 CD1 ILE A 26 -8.812 5.805 -21.504 1.00 0.00 C ATOM 0 H ILE A 26 -9.756 8.772 -23.822 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.858 8.790 -23.780 1.00 0.00 H new ATOM 0 HB ILE A 26 -8.921 6.627 -24.151 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -7.160 7.154 -21.694 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -8.730 7.911 -21.885 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.148 4.955 -23.589 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.839 5.797 -25.126 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -5.932 6.252 -23.664 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -8.875 5.946 -20.425 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -9.815 5.683 -21.914 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -8.221 4.915 -21.720 1.00 0.00 H new ATOM 410 N SER A 27 -8.224 8.458 -26.783 1.00 0.00 N ATOM 411 CA SER A 27 -7.895 8.628 -28.225 1.00 0.00 C ATOM 412 C SER A 27 -7.503 10.110 -28.519 1.00 0.00 C ATOM 413 O SER A 27 -8.349 10.936 -28.871 1.00 0.00 O ATOM 414 CB SER A 27 -9.093 8.150 -29.080 1.00 0.00 C ATOM 415 OG SER A 27 -9.352 6.763 -28.889 1.00 0.00 O ATOM 0 H SER A 27 -9.226 8.416 -26.596 1.00 0.00 H new ATOM 0 HA SER A 27 -7.032 8.017 -28.489 1.00 0.00 H new ATOM 0 HB2 SER A 27 -9.981 8.726 -28.818 1.00 0.00 H new ATOM 0 HB3 SER A 27 -8.888 8.341 -30.133 1.00 0.00 H new ATOM 0 HG SER A 27 -10.115 6.494 -29.442 1.00 0.00 H new ATOM 421 N ARG A 28 -6.202 10.398 -28.307 1.00 0.00 N ATOM 422 CA ARG A 28 -5.578 11.753 -28.194 1.00 0.00 C ATOM 423 C ARG A 28 -4.467 11.738 -27.090 1.00 0.00 C ATOM 424 O ARG A 28 -3.330 12.118 -27.380 1.00 0.00 O ATOM 425 CB ARG A 28 -6.447 13.045 -28.152 1.00 0.00 C ATOM 426 CG ARG A 28 -7.325 13.279 -26.903 1.00 0.00 C ATOM 427 CD ARG A 28 -8.193 14.547 -27.003 1.00 0.00 C ATOM 428 NE ARG A 28 -8.994 14.788 -25.776 1.00 0.00 N ATOM 429 CZ ARG A 28 -8.541 15.413 -24.669 1.00 0.00 C ATOM 430 NH1 ARG A 28 -7.294 15.856 -24.518 1.00 0.00 N ATOM 431 NH2 ARG A 28 -9.385 15.597 -23.672 1.00 0.00 N ATOM 0 H ARG A 28 -5.511 9.655 -28.203 1.00 0.00 H new ATOM 0 HA ARG A 28 -5.172 11.884 -29.197 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -5.781 13.901 -28.259 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -7.100 13.039 -29.025 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -7.972 12.414 -26.754 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.684 13.353 -26.024 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -7.551 15.408 -27.189 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -8.863 14.458 -27.858 1.00 0.00 H new ATOM 0 HE ARG A 28 -9.959 14.456 -25.769 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -6.614 15.731 -25.268 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -7.019 16.321 -23.653 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -10.348 15.270 -23.752 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -9.075 16.066 -22.821 1.00 0.00 H new ATOM 445 N ILE A 29 -4.777 11.294 -25.845 1.00 0.00 N ATOM 446 CA ILE A 29 -3.794 11.154 -24.733 1.00 0.00 C ATOM 447 C ILE A 29 -2.946 9.868 -25.001 1.00 0.00 C ATOM 448 O ILE A 29 -1.842 9.989 -25.541 1.00 0.00 O ATOM 449 CB ILE A 29 -4.528 11.285 -23.346 1.00 0.00 C ATOM 450 CG1 ILE A 29 -5.186 12.685 -23.125 1.00 0.00 C ATOM 451 CG2 ILE A 29 -3.596 10.970 -22.158 1.00 0.00 C ATOM 452 CD1 ILE A 29 -6.137 12.824 -21.922 1.00 0.00 C ATOM 0 H ILE A 29 -5.723 11.020 -25.580 1.00 0.00 H new ATOM 0 HA ILE A 29 -3.064 11.962 -24.687 1.00 0.00 H new ATOM 0 HB ILE A 29 -5.323 10.540 -23.384 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -4.390 13.421 -23.015 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -5.739 12.946 -24.027 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -4.149 11.074 -21.224 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -3.224 9.949 -22.248 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -2.755 11.664 -22.161 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -6.526 13.842 -21.881 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -6.965 12.123 -22.030 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -5.595 12.605 -21.002 1.00 0.00 H new ATOM 464 N LYS A 30 -3.449 8.660 -24.655 1.00 0.00 N ATOM 465 CA LYS A 30 -2.746 7.363 -24.851 1.00 0.00 C ATOM 466 C LYS A 30 -1.381 7.287 -24.101 1.00 0.00 C ATOM 467 O LYS A 30 -0.309 7.288 -24.713 1.00 0.00 O ATOM 468 CB LYS A 30 -2.719 6.953 -26.355 1.00 0.00 C ATOM 469 CG LYS A 30 -2.714 5.435 -26.632 1.00 0.00 C ATOM 470 CD LYS A 30 -4.058 4.751 -26.299 1.00 0.00 C ATOM 471 CE LYS A 30 -4.099 3.272 -26.720 1.00 0.00 C ATOM 472 NZ LYS A 30 -5.395 2.656 -26.385 1.00 0.00 N ATOM 0 H LYS A 30 -4.368 8.554 -24.225 1.00 0.00 H new ATOM 0 HA LYS A 30 -3.331 6.584 -24.361 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -3.587 7.391 -26.848 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -1.834 7.391 -26.817 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -2.478 5.265 -27.682 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -1.921 4.968 -26.047 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -4.241 4.823 -25.227 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -4.866 5.287 -26.797 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -3.922 3.192 -27.793 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -3.296 2.728 -26.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -5.392 1.659 -26.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -5.551 2.712 -25.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -6.158 3.162 -26.879 1.00 0.00 H new ATOM 486 N GLN A 31 -1.458 7.294 -22.755 1.00 0.00 N ATOM 487 CA GLN A 31 -0.299 7.460 -21.843 1.00 0.00 C ATOM 488 C GLN A 31 0.548 8.758 -22.077 1.00 0.00 C ATOM 489 O GLN A 31 1.761 8.686 -22.291 1.00 0.00 O ATOM 490 CB GLN A 31 0.526 6.156 -21.737 1.00 0.00 C ATOM 491 CG GLN A 31 -0.193 4.938 -21.115 1.00 0.00 C ATOM 492 CD GLN A 31 0.701 3.690 -21.055 1.00 0.00 C ATOM 493 OE1 GLN A 31 0.789 2.921 -22.012 1.00 0.00 O ATOM 494 NE2 GLN A 31 1.382 3.462 -19.941 1.00 0.00 N ATOM 0 H GLN A 31 -2.342 7.183 -22.258 1.00 0.00 H new ATOM 0 HA GLN A 31 -0.716 7.641 -20.852 1.00 0.00 H new ATOM 0 HB2 GLN A 31 0.861 5.881 -22.737 1.00 0.00 H new ATOM 0 HB3 GLN A 31 1.419 6.363 -21.148 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -0.524 5.192 -20.108 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -1.087 4.712 -21.697 1.00 0.00 H new ATOM 0 HE21 GLN A 31 1.302 4.106 -19.154 1.00 0.00 H new ATOM 0 HE22 GLN A 31 1.986 2.643 -19.871 1.00 0.00 H new ATOM 503 N SER A 32 -0.099 9.941 -22.014 1.00 0.00 N ATOM 504 CA SER A 32 0.593 11.257 -22.142 1.00 0.00 C ATOM 505 C SER A 32 0.400 12.043 -20.824 1.00 0.00 C ATOM 506 O SER A 32 1.116 11.746 -19.862 1.00 0.00 O ATOM 507 CB SER A 32 0.212 11.968 -23.465 1.00 0.00 C ATOM 508 OG SER A 32 0.673 11.231 -24.591 1.00 0.00 O ATOM 0 H SER A 32 -1.106 10.019 -21.874 1.00 0.00 H new ATOM 0 HA SER A 32 1.672 11.147 -22.251 1.00 0.00 H new ATOM 0 HB2 SER A 32 -0.870 12.085 -23.521 1.00 0.00 H new ATOM 0 HB3 SER A 32 0.642 12.970 -23.481 1.00 0.00 H new ATOM 0 HG SER A 32 -0.081 10.761 -25.005 1.00 0.00 H new ATOM 514 N GLU A 33 -0.573 12.972 -20.719 1.00 0.00 N ATOM 515 CA GLU A 33 -1.064 13.470 -19.398 1.00 0.00 C ATOM 516 C GLU A 33 -1.921 12.489 -18.522 1.00 0.00 C ATOM 517 O GLU A 33 -2.293 12.855 -17.402 1.00 0.00 O ATOM 518 CB GLU A 33 -1.759 14.847 -19.599 1.00 0.00 C ATOM 519 CG GLU A 33 -3.089 14.834 -20.394 1.00 0.00 C ATOM 520 CD GLU A 33 -3.710 16.222 -20.553 1.00 0.00 C ATOM 521 OE1 GLU A 33 -4.485 16.644 -19.666 1.00 0.00 O ATOM 522 OE2 GLU A 33 -3.430 16.898 -21.569 1.00 0.00 O ATOM 0 H GLU A 33 -1.037 13.396 -21.522 1.00 0.00 H new ATOM 0 HA GLU A 33 -0.168 13.568 -18.785 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -1.951 15.280 -18.617 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -1.062 15.511 -20.109 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.910 14.408 -21.381 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -3.800 14.181 -19.889 1.00 0.00 H new ATOM 529 N LEU A 34 -2.170 11.243 -18.980 1.00 0.00 N ATOM 530 CA LEU A 34 -2.558 10.112 -18.092 1.00 0.00 C ATOM 531 C LEU A 34 -1.317 9.554 -17.331 1.00 0.00 C ATOM 532 O LEU A 34 -1.384 9.369 -16.112 1.00 0.00 O ATOM 533 CB LEU A 34 -3.328 9.051 -18.940 1.00 0.00 C ATOM 534 CG LEU A 34 -3.878 7.752 -18.278 1.00 0.00 C ATOM 535 CD1 LEU A 34 -2.821 6.639 -18.128 1.00 0.00 C ATOM 536 CD2 LEU A 34 -4.630 7.985 -16.953 1.00 0.00 C ATOM 0 H LEU A 34 -2.110 10.988 -19.966 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.237 10.447 -17.308 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -4.175 9.561 -19.399 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.665 8.743 -19.748 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.619 7.398 -18.994 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.276 5.766 -17.660 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.439 6.365 -19.111 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.001 6.998 -17.507 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -4.979 7.030 -16.560 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.959 8.451 -16.231 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -5.484 8.639 -17.129 1.00 0.00 H new ATOM 548 N SER A 35 -0.202 9.312 -18.049 1.00 0.00 N ATOM 549 CA SER A 35 1.081 8.888 -17.455 1.00 0.00 C ATOM 550 C SER A 35 1.907 10.138 -17.029 1.00 0.00 C ATOM 551 O SER A 35 1.507 10.777 -16.052 1.00 0.00 O ATOM 552 CB SER A 35 1.745 7.904 -18.441 1.00 0.00 C ATOM 553 OG SER A 35 1.038 6.670 -18.495 1.00 0.00 O ATOM 0 H SER A 35 -0.167 9.406 -19.064 1.00 0.00 H new ATOM 0 HA SER A 35 0.970 8.338 -16.521 1.00 0.00 H new ATOM 0 HB2 SER A 35 1.779 8.350 -19.435 1.00 0.00 H new ATOM 0 HB3 SER A 35 2.776 7.722 -18.138 1.00 0.00 H new ATOM 0 HG SER A 35 1.667 5.927 -18.384 1.00 0.00 H new ATOM 559 N ALA A 36 3.035 10.474 -17.708 1.00 0.00 N ATOM 560 CA ALA A 36 4.004 11.541 -17.277 1.00 0.00 C ATOM 561 C ALA A 36 4.826 11.159 -16.009 1.00 0.00 C ATOM 562 O ALA A 36 6.028 10.899 -16.111 1.00 0.00 O ATOM 563 CB ALA A 36 3.386 12.955 -17.234 1.00 0.00 C ATOM 0 H ALA A 36 3.308 10.015 -18.577 1.00 0.00 H new ATOM 0 HA ALA A 36 4.746 11.596 -18.073 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.142 13.673 -16.915 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.025 13.225 -18.227 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.554 12.967 -16.530 1.00 0.00 H new ATOM 569 N LYS A 37 4.163 11.082 -14.839 1.00 0.00 N ATOM 570 CA LYS A 37 4.710 10.411 -13.626 1.00 0.00 C ATOM 571 C LYS A 37 4.850 8.857 -13.733 1.00 0.00 C ATOM 572 O LYS A 37 5.837 8.322 -13.223 1.00 0.00 O ATOM 573 CB LYS A 37 3.935 10.856 -12.353 1.00 0.00 C ATOM 574 CG LYS A 37 2.434 10.474 -12.259 1.00 0.00 C ATOM 575 CD LYS A 37 1.718 10.965 -10.984 1.00 0.00 C ATOM 576 CE LYS A 37 2.133 10.226 -9.696 1.00 0.00 C ATOM 577 NZ LYS A 37 1.369 10.704 -8.530 1.00 0.00 N ATOM 0 H LYS A 37 3.234 11.480 -14.700 1.00 0.00 H new ATOM 0 HA LYS A 37 5.741 10.753 -13.541 1.00 0.00 H new ATOM 0 HB2 LYS A 37 4.444 10.436 -11.485 1.00 0.00 H new ATOM 0 HB3 LYS A 37 4.012 11.940 -12.274 1.00 0.00 H new ATOM 0 HG2 LYS A 37 1.916 10.879 -13.128 1.00 0.00 H new ATOM 0 HG3 LYS A 37 2.346 9.389 -12.313 1.00 0.00 H new ATOM 0 HD2 LYS A 37 1.916 12.029 -10.858 1.00 0.00 H new ATOM 0 HD3 LYS A 37 0.642 10.855 -11.121 1.00 0.00 H new ATOM 0 HE2 LYS A 37 1.974 9.155 -9.822 1.00 0.00 H new ATOM 0 HE3 LYS A 37 3.199 10.372 -9.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 1.672 10.187 -7.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 1.540 11.721 -8.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 0.354 10.542 -8.690 1.00 0.00 H new ATOM 591 N MET A 38 3.911 8.148 -14.402 1.00 0.00 N ATOM 592 CA MET A 38 4.069 6.707 -14.743 1.00 0.00 C ATOM 593 C MET A 38 5.199 6.420 -15.775 1.00 0.00 C ATOM 594 O MET A 38 5.952 5.476 -15.538 1.00 0.00 O ATOM 595 CB MET A 38 2.745 6.066 -15.237 1.00 0.00 C ATOM 596 CG MET A 38 1.557 6.061 -14.260 1.00 0.00 C ATOM 597 SD MET A 38 1.984 5.282 -12.681 1.00 0.00 S ATOM 598 CE MET A 38 2.226 3.548 -13.132 1.00 0.00 C ATOM 0 H MET A 38 3.029 8.550 -14.720 1.00 0.00 H new ATOM 0 HA MET A 38 4.362 6.243 -13.801 1.00 0.00 H new ATOM 0 HB2 MET A 38 2.435 6.587 -16.143 1.00 0.00 H new ATOM 0 HB3 MET A 38 2.954 5.034 -15.519 1.00 0.00 H new ATOM 0 HG2 MET A 38 1.229 7.085 -14.082 1.00 0.00 H new ATOM 0 HG3 MET A 38 0.718 5.531 -14.711 1.00 0.00 H new ATOM 0 HE1 MET A 38 2.386 2.957 -12.231 1.00 0.00 H new ATOM 0 HE2 MET A 38 1.343 3.181 -13.655 1.00 0.00 H new ATOM 0 HE3 MET A 38 3.096 3.459 -13.783 1.00 0.00 H new ATOM 608 N ARG A 39 5.346 7.192 -16.879 1.00 0.00 N ATOM 609 CA ARG A 39 6.484 7.016 -17.837 1.00 0.00 C ATOM 610 C ARG A 39 7.900 7.385 -17.286 1.00 0.00 C ATOM 611 O ARG A 39 8.860 6.686 -17.620 1.00 0.00 O ATOM 612 CB ARG A 39 6.190 7.703 -19.200 1.00 0.00 C ATOM 613 CG ARG A 39 5.243 6.889 -20.113 1.00 0.00 C ATOM 614 CD ARG A 39 5.021 7.534 -21.491 1.00 0.00 C ATOM 615 NE ARG A 39 4.252 6.625 -22.376 1.00 0.00 N ATOM 616 CZ ARG A 39 3.993 6.866 -23.677 1.00 0.00 C ATOM 617 NH1 ARG A 39 4.371 7.969 -24.321 1.00 0.00 N ATOM 618 NH2 ARG A 39 3.320 5.955 -24.355 1.00 0.00 N ATOM 0 H ARG A 39 4.700 7.939 -17.134 1.00 0.00 H new ATOM 0 HA ARG A 39 6.543 5.939 -17.993 1.00 0.00 H new ATOM 0 HB2 ARG A 39 5.750 8.683 -19.016 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.131 7.870 -19.724 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.653 5.889 -20.250 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.280 6.773 -19.615 1.00 0.00 H new ATOM 0 HD2 ARG A 39 4.486 8.476 -21.375 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.983 7.768 -21.948 1.00 0.00 H new ATOM 0 HE ARG A 39 3.895 5.759 -21.973 1.00 0.00 H new ATOM 0 HH11 ARG A 39 4.890 8.695 -23.827 1.00 0.00 H new ATOM 0 HH12 ARG A 39 4.141 8.087 -25.308 1.00 0.00 H new ATOM 0 HH21 ARG A 39 3.012 5.099 -23.893 1.00 0.00 H new ATOM 0 HH22 ARG A 39 3.108 6.107 -25.341 1.00 0.00 H new ATOM 632 N GLU A 40 8.031 8.410 -16.416 1.00 0.00 N ATOM 633 CA GLU A 40 9.244 8.615 -15.569 1.00 0.00 C ATOM 634 C GLU A 40 9.564 7.423 -14.601 1.00 0.00 C ATOM 635 O GLU A 40 10.713 6.977 -14.555 1.00 0.00 O ATOM 636 CB GLU A 40 9.094 9.974 -14.840 1.00 0.00 C ATOM 637 CG GLU A 40 10.351 10.474 -14.096 1.00 0.00 C ATOM 638 CD GLU A 40 10.117 11.809 -13.386 1.00 0.00 C ATOM 639 OE1 GLU A 40 9.657 11.803 -12.222 1.00 0.00 O ATOM 640 OE2 GLU A 40 10.389 12.871 -13.989 1.00 0.00 O ATOM 0 H GLU A 40 7.310 9.118 -16.276 1.00 0.00 H new ATOM 0 HA GLU A 40 10.121 8.640 -16.216 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.803 10.728 -15.571 1.00 0.00 H new ATOM 0 HB3 GLU A 40 8.277 9.893 -14.123 1.00 0.00 H new ATOM 0 HG2 GLU A 40 10.659 9.726 -13.365 1.00 0.00 H new ATOM 0 HG3 GLU A 40 11.171 10.582 -14.806 1.00 0.00 H new ATOM 647 N TRP A 41 8.553 6.906 -13.871 1.00 0.00 N ATOM 648 CA TRP A 41 8.668 5.678 -13.036 1.00 0.00 C ATOM 649 C TRP A 41 9.020 4.360 -13.808 1.00 0.00 C ATOM 650 O TRP A 41 9.778 3.556 -13.263 1.00 0.00 O ATOM 651 CB TRP A 41 7.357 5.566 -12.205 1.00 0.00 C ATOM 652 CG TRP A 41 7.308 4.447 -11.159 1.00 0.00 C ATOM 653 CD1 TRP A 41 7.595 4.575 -9.785 1.00 0.00 C ATOM 654 CD2 TRP A 41 6.960 3.121 -11.347 1.00 0.00 C ATOM 655 NE1 TRP A 41 7.430 3.355 -9.103 1.00 0.00 N ATOM 656 CE2 TRP A 41 7.034 2.467 -10.091 1.00 0.00 C ATOM 657 CE3 TRP A 41 6.620 2.394 -12.519 1.00 0.00 C ATOM 658 CZ2 TRP A 41 6.754 1.084 -9.995 1.00 0.00 C ATOM 659 CZ3 TRP A 41 6.350 1.030 -12.396 1.00 0.00 C ATOM 660 CH2 TRP A 41 6.410 0.387 -11.154 1.00 0.00 C ATOM 0 H TRP A 41 7.625 7.328 -13.840 1.00 0.00 H new ATOM 0 HA TRP A 41 9.537 5.788 -12.387 1.00 0.00 H new ATOM 0 HB2 TRP A 41 7.192 6.516 -11.697 1.00 0.00 H new ATOM 0 HB3 TRP A 41 6.526 5.425 -12.896 1.00 0.00 H new ATOM 0 HD1 TRP A 41 7.904 5.496 -9.313 1.00 0.00 H new ATOM 0 HE1 TRP A 41 7.570 3.167 -8.110 1.00 0.00 H new ATOM 0 HE3 TRP A 41 6.572 2.884 -13.480 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 6.805 0.577 -9.043 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 6.090 0.460 -13.276 1.00 0.00 H new ATOM 0 HH2 TRP A 41 6.186 -0.668 -11.092 1.00 0.00 H new ATOM 671 N PHE A 42 8.473 4.109 -15.019 1.00 0.00 N ATOM 672 CA PHE A 42 8.848 2.924 -15.854 1.00 0.00 C ATOM 673 C PHE A 42 10.327 2.967 -16.360 1.00 0.00 C ATOM 674 O PHE A 42 11.000 1.933 -16.349 1.00 0.00 O ATOM 675 CB PHE A 42 7.891 2.719 -17.069 1.00 0.00 C ATOM 676 CG PHE A 42 6.429 2.298 -16.797 1.00 0.00 C ATOM 677 CD1 PHE A 42 6.138 1.126 -16.088 1.00 0.00 C ATOM 678 CD2 PHE A 42 5.372 3.048 -17.329 1.00 0.00 C ATOM 679 CE1 PHE A 42 4.816 0.749 -15.861 1.00 0.00 C ATOM 680 CE2 PHE A 42 4.052 2.673 -17.096 1.00 0.00 C ATOM 681 CZ PHE A 42 3.775 1.527 -16.358 1.00 0.00 C ATOM 0 H PHE A 42 7.768 4.708 -15.449 1.00 0.00 H new ATOM 0 HA PHE A 42 8.747 2.073 -15.180 1.00 0.00 H new ATOM 0 HB2 PHE A 42 7.867 3.652 -17.633 1.00 0.00 H new ATOM 0 HB3 PHE A 42 8.337 1.965 -17.718 1.00 0.00 H new ATOM 0 HD1 PHE A 42 6.943 0.511 -15.715 1.00 0.00 H new ATOM 0 HD2 PHE A 42 5.583 3.924 -17.925 1.00 0.00 H new ATOM 0 HE1 PHE A 42 4.599 -0.147 -15.299 1.00 0.00 H new ATOM 0 HE2 PHE A 42 3.243 3.272 -17.488 1.00 0.00 H new ATOM 0 HZ PHE A 42 2.751 1.241 -16.171 1.00 0.00 H new ATOM 691 N SER A 43 10.818 4.159 -16.764 1.00 0.00 N ATOM 692 CA SER A 43 12.258 4.402 -17.051 1.00 0.00 C ATOM 693 C SER A 43 13.047 4.811 -15.763 1.00 0.00 C ATOM 694 O SER A 43 13.468 5.959 -15.591 1.00 0.00 O ATOM 695 CB SER A 43 12.385 5.412 -18.217 1.00 0.00 C ATOM 696 OG SER A 43 11.842 6.690 -17.894 1.00 0.00 O ATOM 0 H SER A 43 10.232 4.982 -16.902 1.00 0.00 H new ATOM 0 HA SER A 43 12.729 3.474 -17.376 1.00 0.00 H new ATOM 0 HB2 SER A 43 13.436 5.524 -18.483 1.00 0.00 H new ATOM 0 HB3 SER A 43 11.874 5.015 -19.094 1.00 0.00 H new ATOM 0 HG SER A 43 10.867 6.622 -17.820 1.00 0.00 H new ATOM 702 N GLU A 44 13.201 3.832 -14.856 1.00 0.00 N ATOM 703 CA GLU A 44 13.627 4.014 -13.436 1.00 0.00 C ATOM 704 C GLU A 44 13.529 2.604 -12.779 1.00 0.00 C ATOM 705 O GLU A 44 14.555 2.056 -12.370 1.00 0.00 O ATOM 706 CB GLU A 44 12.867 5.144 -12.661 1.00 0.00 C ATOM 707 CG GLU A 44 13.128 5.313 -11.145 1.00 0.00 C ATOM 708 CD GLU A 44 12.281 4.404 -10.244 1.00 0.00 C ATOM 709 OE1 GLU A 44 11.041 4.570 -10.206 1.00 0.00 O ATOM 710 OE2 GLU A 44 12.851 3.514 -9.575 1.00 0.00 O ATOM 0 H GLU A 44 13.029 2.854 -15.088 1.00 0.00 H new ATOM 0 HA GLU A 44 14.650 4.389 -13.394 1.00 0.00 H new ATOM 0 HB2 GLU A 44 13.103 6.092 -13.144 1.00 0.00 H new ATOM 0 HB3 GLU A 44 11.799 4.975 -12.795 1.00 0.00 H new ATOM 0 HG2 GLU A 44 14.182 5.118 -10.947 1.00 0.00 H new ATOM 0 HG3 GLU A 44 12.940 6.351 -10.871 1.00 0.00 H new ATOM 717 N THR A 45 12.311 2.020 -12.688 1.00 0.00 N ATOM 718 CA THR A 45 12.072 0.640 -12.179 1.00 0.00 C ATOM 719 C THR A 45 12.701 -0.456 -13.102 1.00 0.00 C ATOM 720 O THR A 45 13.510 -1.248 -12.613 1.00 0.00 O ATOM 721 CB THR A 45 10.548 0.463 -11.907 1.00 0.00 C ATOM 722 OG1 THR A 45 10.089 1.454 -10.989 1.00 0.00 O ATOM 723 CG2 THR A 45 10.142 -0.903 -11.330 1.00 0.00 C ATOM 0 H THR A 45 11.454 2.496 -12.968 1.00 0.00 H new ATOM 0 HA THR A 45 12.592 0.500 -11.232 1.00 0.00 H new ATOM 0 HB THR A 45 10.090 0.557 -12.892 1.00 0.00 H new ATOM 0 HG1 THR A 45 9.114 1.397 -10.906 1.00 0.00 H new ATOM 0 HG21 THR A 45 9.063 -0.927 -11.176 1.00 0.00 H new ATOM 0 HG22 THR A 45 10.427 -1.691 -12.027 1.00 0.00 H new ATOM 0 HG23 THR A 45 10.648 -1.060 -10.377 1.00 0.00 H new ATOM 731 N PHE A 46 12.373 -0.471 -14.414 1.00 0.00 N ATOM 732 CA PHE A 46 13.077 -1.315 -15.422 1.00 0.00 C ATOM 733 C PHE A 46 14.599 -1.003 -15.600 1.00 0.00 C ATOM 734 O PHE A 46 15.373 -1.951 -15.737 1.00 0.00 O ATOM 735 CB PHE A 46 12.310 -1.246 -16.776 1.00 0.00 C ATOM 736 CG PHE A 46 12.786 -2.249 -17.848 1.00 0.00 C ATOM 737 CD1 PHE A 46 12.417 -3.597 -17.772 1.00 0.00 C ATOM 738 CD2 PHE A 46 13.644 -1.830 -18.873 1.00 0.00 C ATOM 739 CE1 PHE A 46 12.905 -4.512 -18.702 1.00 0.00 C ATOM 740 CE2 PHE A 46 14.129 -2.747 -19.802 1.00 0.00 C ATOM 741 CZ PHE A 46 13.762 -4.087 -19.715 1.00 0.00 C ATOM 0 H PHE A 46 11.620 0.094 -14.807 1.00 0.00 H new ATOM 0 HA PHE A 46 13.066 -2.334 -15.035 1.00 0.00 H new ATOM 0 HB2 PHE A 46 11.251 -1.417 -16.585 1.00 0.00 H new ATOM 0 HB3 PHE A 46 12.403 -0.237 -17.178 1.00 0.00 H new ATOM 0 HD1 PHE A 46 11.751 -3.929 -16.989 1.00 0.00 H new ATOM 0 HD2 PHE A 46 13.931 -0.791 -18.943 1.00 0.00 H new ATOM 0 HE1 PHE A 46 12.619 -5.551 -18.638 1.00 0.00 H new ATOM 0 HE2 PHE A 46 14.790 -2.418 -20.590 1.00 0.00 H new ATOM 0 HZ PHE A 46 14.142 -4.798 -20.434 1.00 0.00 H new ATOM 751 N GLN A 47 15.019 0.280 -15.602 1.00 0.00 N ATOM 752 CA GLN A 47 16.461 0.666 -15.668 1.00 0.00 C ATOM 753 C GLN A 47 17.359 0.157 -14.494 1.00 0.00 C ATOM 754 O GLN A 47 18.494 -0.251 -14.755 1.00 0.00 O ATOM 755 CB GLN A 47 16.621 2.201 -15.859 1.00 0.00 C ATOM 756 CG GLN A 47 16.013 2.816 -17.144 1.00 0.00 C ATOM 757 CD GLN A 47 16.634 2.315 -18.462 1.00 0.00 C ATOM 758 OE1 GLN A 47 17.783 2.615 -18.784 1.00 0.00 O ATOM 759 NE2 GLN A 47 15.893 1.546 -19.246 1.00 0.00 N ATOM 0 H GLN A 47 14.383 1.076 -15.559 1.00 0.00 H new ATOM 0 HA GLN A 47 16.837 0.140 -16.546 1.00 0.00 H new ATOM 0 HB2 GLN A 47 16.171 2.698 -15.000 1.00 0.00 H new ATOM 0 HB3 GLN A 47 17.685 2.436 -15.842 1.00 0.00 H new ATOM 0 HG2 GLN A 47 14.944 2.604 -17.160 1.00 0.00 H new ATOM 0 HG3 GLN A 47 16.122 3.900 -17.097 1.00 0.00 H new ATOM 0 HE21 GLN A 47 14.942 1.303 -18.970 1.00 0.00 H new ATOM 0 HE22 GLN A 47 16.274 1.197 -20.125 1.00 0.00 H new ATOM 768 N LYS A 48 16.850 0.125 -13.243 1.00 0.00 N ATOM 769 CA LYS A 48 17.490 -0.597 -12.100 1.00 0.00 C ATOM 770 C LYS A 48 17.739 -2.125 -12.322 1.00 0.00 C ATOM 771 O LYS A 48 18.820 -2.608 -11.977 1.00 0.00 O ATOM 772 CB LYS A 48 16.683 -0.362 -10.796 1.00 0.00 C ATOM 773 CG LYS A 48 16.852 1.053 -10.198 1.00 0.00 C ATOM 774 CD LYS A 48 15.759 1.474 -9.201 1.00 0.00 C ATOM 775 CE LYS A 48 15.753 0.754 -7.826 1.00 0.00 C ATOM 776 NZ LYS A 48 15.082 -0.559 -7.868 1.00 0.00 N ATOM 0 H LYS A 48 15.983 0.597 -12.988 1.00 0.00 H new ATOM 0 HA LYS A 48 18.487 -0.164 -12.017 1.00 0.00 H new ATOM 0 HB2 LYS A 48 15.626 -0.536 -10.999 1.00 0.00 H new ATOM 0 HB3 LYS A 48 16.990 -1.098 -10.053 1.00 0.00 H new ATOM 0 HG2 LYS A 48 17.819 1.106 -9.697 1.00 0.00 H new ATOM 0 HG3 LYS A 48 16.876 1.775 -11.014 1.00 0.00 H new ATOM 0 HD2 LYS A 48 15.855 2.545 -9.023 1.00 0.00 H new ATOM 0 HD3 LYS A 48 14.789 1.315 -9.672 1.00 0.00 H new ATOM 0 HE2 LYS A 48 16.780 0.621 -7.487 1.00 0.00 H new ATOM 0 HE3 LYS A 48 15.255 1.388 -7.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 14.866 -0.870 -6.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 14.199 -0.480 -8.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 15.708 -1.254 -8.323 1.00 0.00 H new ATOM 790 N VAL A 49 16.778 -2.868 -12.917 1.00 0.00 N ATOM 791 CA VAL A 49 16.985 -4.282 -13.363 1.00 0.00 C ATOM 792 C VAL A 49 18.038 -4.397 -14.516 1.00 0.00 C ATOM 793 O VAL A 49 18.940 -5.229 -14.411 1.00 0.00 O ATOM 794 CB VAL A 49 15.652 -5.011 -13.763 1.00 0.00 C ATOM 795 CG1 VAL A 49 15.832 -6.540 -13.949 1.00 0.00 C ATOM 796 CG2 VAL A 49 14.462 -4.804 -12.794 1.00 0.00 C ATOM 0 H VAL A 49 15.840 -2.515 -13.105 1.00 0.00 H new ATOM 0 HA VAL A 49 17.382 -4.796 -12.488 1.00 0.00 H new ATOM 0 HB VAL A 49 15.408 -4.528 -14.709 1.00 0.00 H new ATOM 0 HG11 VAL A 49 14.877 -6.988 -14.225 1.00 0.00 H new ATOM 0 HG12 VAL A 49 16.562 -6.727 -14.737 1.00 0.00 H new ATOM 0 HG13 VAL A 49 16.184 -6.981 -13.016 1.00 0.00 H new ATOM 0 HG21 VAL A 49 13.593 -5.349 -13.163 1.00 0.00 H new ATOM 0 HG22 VAL A 49 14.730 -5.175 -11.805 1.00 0.00 H new ATOM 0 HG23 VAL A 49 14.224 -3.742 -12.731 1.00 0.00 H new ATOM 806 N LYS A 50 17.907 -3.603 -15.602 1.00 0.00 N ATOM 807 CA LYS A 50 18.739 -3.710 -16.819 1.00 0.00 C ATOM 808 C LYS A 50 20.268 -3.478 -16.617 1.00 0.00 C ATOM 809 O LYS A 50 21.064 -4.323 -17.040 1.00 0.00 O ATOM 810 CB LYS A 50 18.102 -2.718 -17.828 1.00 0.00 C ATOM 811 CG LYS A 50 18.521 -2.928 -19.291 1.00 0.00 C ATOM 812 CD LYS A 50 18.026 -1.793 -20.209 1.00 0.00 C ATOM 813 CE LYS A 50 18.906 -0.524 -20.253 1.00 0.00 C ATOM 814 NZ LYS A 50 20.196 -0.727 -20.938 1.00 0.00 N ATOM 0 H LYS A 50 17.210 -2.860 -15.657 1.00 0.00 H new ATOM 0 HA LYS A 50 18.731 -4.738 -17.181 1.00 0.00 H new ATOM 0 HB2 LYS A 50 17.017 -2.800 -17.760 1.00 0.00 H new ATOM 0 HB3 LYS A 50 18.364 -1.702 -17.532 1.00 0.00 H new ATOM 0 HG2 LYS A 50 19.607 -2.992 -19.350 1.00 0.00 H new ATOM 0 HG3 LYS A 50 18.125 -3.879 -19.647 1.00 0.00 H new ATOM 0 HD2 LYS A 50 17.937 -2.185 -21.222 1.00 0.00 H new ATOM 0 HD3 LYS A 50 17.024 -1.505 -19.890 1.00 0.00 H new ATOM 0 HE2 LYS A 50 18.357 0.272 -20.757 1.00 0.00 H new ATOM 0 HE3 LYS A 50 19.094 -0.186 -19.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 20.736 0.162 -20.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 20.738 -1.465 -20.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 20.025 -1.021 -21.921 1.00 0.00 H new ATOM 828 N GLU A 51 20.659 -2.375 -15.941 1.00 0.00 N ATOM 829 CA GLU A 51 22.059 -2.134 -15.479 1.00 0.00 C ATOM 830 C GLU A 51 22.750 -3.252 -14.626 1.00 0.00 C ATOM 831 O GLU A 51 23.978 -3.379 -14.677 1.00 0.00 O ATOM 832 CB GLU A 51 22.144 -0.739 -14.793 1.00 0.00 C ATOM 833 CG GLU A 51 21.519 -0.606 -13.381 1.00 0.00 C ATOM 834 CD GLU A 51 21.452 0.839 -12.885 1.00 0.00 C ATOM 835 OE1 GLU A 51 22.424 1.306 -12.251 1.00 0.00 O ATOM 836 OE2 GLU A 51 20.426 1.514 -13.123 1.00 0.00 O ATOM 0 H GLU A 51 20.017 -1.621 -15.696 1.00 0.00 H new ATOM 0 HA GLU A 51 22.655 -2.163 -16.391 1.00 0.00 H new ATOM 0 HB2 GLU A 51 23.195 -0.459 -14.725 1.00 0.00 H new ATOM 0 HB3 GLU A 51 21.662 -0.011 -15.446 1.00 0.00 H new ATOM 0 HG2 GLU A 51 20.513 -1.025 -13.395 1.00 0.00 H new ATOM 0 HG3 GLU A 51 22.102 -1.199 -12.676 1.00 0.00 H new ATOM 843 N LYS A 52 21.970 -4.037 -13.856 1.00 0.00 N ATOM 844 CA LYS A 52 22.479 -5.171 -13.041 1.00 0.00 C ATOM 845 C LYS A 52 22.545 -6.489 -13.872 1.00 0.00 C ATOM 846 O LYS A 52 23.612 -7.108 -13.938 1.00 0.00 O ATOM 847 CB LYS A 52 21.602 -5.347 -11.764 1.00 0.00 C ATOM 848 CG LYS A 52 21.598 -4.158 -10.776 1.00 0.00 C ATOM 849 CD LYS A 52 20.644 -4.370 -9.580 1.00 0.00 C ATOM 850 CE LYS A 52 20.487 -3.147 -8.655 1.00 0.00 C ATOM 851 NZ LYS A 52 21.698 -2.849 -7.867 1.00 0.00 N ATOM 0 H LYS A 52 20.962 -3.905 -13.778 1.00 0.00 H new ATOM 0 HA LYS A 52 23.498 -4.940 -12.731 1.00 0.00 H new ATOM 0 HB2 LYS A 52 20.575 -5.538 -12.076 1.00 0.00 H new ATOM 0 HB3 LYS A 52 21.944 -6.235 -11.232 1.00 0.00 H new ATOM 0 HG2 LYS A 52 22.610 -4.000 -10.403 1.00 0.00 H new ATOM 0 HG3 LYS A 52 21.309 -3.252 -11.308 1.00 0.00 H new ATOM 0 HD2 LYS A 52 19.662 -4.648 -9.962 1.00 0.00 H new ATOM 0 HD3 LYS A 52 21.006 -5.211 -8.989 1.00 0.00 H new ATOM 0 HE2 LYS A 52 20.231 -2.276 -9.258 1.00 0.00 H new ATOM 0 HE3 LYS A 52 19.653 -3.320 -7.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 21.526 -2.017 -7.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 21.932 -3.666 -7.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 22.491 -2.654 -8.510 1.00 0.00 H new ATOM 865 N LEU A 53 21.415 -6.920 -14.473 1.00 0.00 N ATOM 866 CA LEU A 53 21.260 -8.266 -15.078 1.00 0.00 C ATOM 867 C LEU A 53 21.365 -8.143 -16.632 1.00 0.00 C ATOM 868 O LEU A 53 22.359 -7.595 -17.119 1.00 0.00 O ATOM 869 CB LEU A 53 19.978 -8.937 -14.485 1.00 0.00 C ATOM 870 CG LEU A 53 19.861 -9.090 -12.939 1.00 0.00 C ATOM 871 CD1 LEU A 53 18.473 -9.636 -12.552 1.00 0.00 C ATOM 872 CD2 LEU A 53 20.976 -9.962 -12.327 1.00 0.00 C ATOM 0 H LEU A 53 20.578 -6.342 -14.554 1.00 0.00 H new ATOM 0 HA LEU A 53 22.063 -8.956 -14.821 1.00 0.00 H new ATOM 0 HB2 LEU A 53 19.116 -8.363 -14.827 1.00 0.00 H new ATOM 0 HB3 LEU A 53 19.893 -9.931 -14.923 1.00 0.00 H new ATOM 0 HG LEU A 53 19.986 -8.091 -12.520 1.00 0.00 H new ATOM 0 HD11 LEU A 53 18.411 -9.736 -11.468 1.00 0.00 H new ATOM 0 HD12 LEU A 53 17.702 -8.948 -12.898 1.00 0.00 H new ATOM 0 HD13 LEU A 53 18.323 -10.611 -13.016 1.00 0.00 H new ATOM 0 HD21 LEU A 53 20.836 -10.028 -11.248 1.00 0.00 H new ATOM 0 HD22 LEU A 53 20.935 -10.962 -12.760 1.00 0.00 H new ATOM 0 HD23 LEU A 53 21.947 -9.514 -12.540 1.00 0.00 H new ATOM 884 N LYS A 54 20.401 -8.685 -17.418 1.00 0.00 N ATOM 885 CA LYS A 54 20.463 -8.764 -18.910 1.00 0.00 C ATOM 886 C LYS A 54 21.720 -9.576 -19.379 1.00 0.00 C ATOM 887 O LYS A 54 21.829 -10.762 -19.052 1.00 0.00 O ATOM 888 CB LYS A 54 20.159 -7.369 -19.544 1.00 0.00 C ATOM 889 CG LYS A 54 19.826 -7.405 -21.054 1.00 0.00 C ATOM 890 CD LYS A 54 19.571 -6.027 -21.695 1.00 0.00 C ATOM 891 CE LYS A 54 20.819 -5.127 -21.798 1.00 0.00 C ATOM 892 NZ LYS A 54 20.526 -3.879 -22.521 1.00 0.00 N ATOM 0 H LYS A 54 19.545 -9.086 -17.034 1.00 0.00 H new ATOM 0 HA LYS A 54 19.660 -9.372 -19.326 1.00 0.00 H new ATOM 0 HB2 LYS A 54 19.322 -6.918 -19.012 1.00 0.00 H new ATOM 0 HB3 LYS A 54 21.021 -6.720 -19.391 1.00 0.00 H new ATOM 0 HG2 LYS A 54 20.649 -7.888 -21.581 1.00 0.00 H new ATOM 0 HG3 LYS A 54 18.943 -8.027 -21.202 1.00 0.00 H new ATOM 0 HD2 LYS A 54 19.163 -6.176 -22.695 1.00 0.00 H new ATOM 0 HD3 LYS A 54 18.810 -5.506 -21.114 1.00 0.00 H new ATOM 0 HE2 LYS A 54 21.183 -4.892 -20.798 1.00 0.00 H new ATOM 0 HE3 LYS A 54 21.617 -5.666 -22.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 21.387 -3.297 -22.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 20.202 -4.103 -23.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 19.782 -3.353 -22.019 1.00 0.00 H new ATOM 906 N ILE A 55 22.688 -8.927 -20.054 1.00 0.00 N ATOM 907 CA ILE A 55 24.074 -9.417 -20.216 1.00 0.00 C ATOM 908 C ILE A 55 24.955 -8.835 -19.060 1.00 0.00 C ATOM 909 O ILE A 55 25.375 -9.597 -18.183 1.00 0.00 O ATOM 910 CB ILE A 55 24.525 -9.177 -21.702 1.00 0.00 C ATOM 911 CG1 ILE A 55 25.886 -9.861 -21.965 1.00 0.00 C ATOM 912 CG2 ILE A 55 24.523 -7.705 -22.206 1.00 0.00 C ATOM 913 CD1 ILE A 55 26.238 -10.068 -23.443 1.00 0.00 C ATOM 0 H ILE A 55 22.527 -8.030 -20.512 1.00 0.00 H new ATOM 0 HA ILE A 55 24.184 -10.494 -20.093 1.00 0.00 H new ATOM 0 HB ILE A 55 23.741 -9.642 -22.300 1.00 0.00 H new ATOM 0 HG12 ILE A 55 26.671 -9.263 -21.502 1.00 0.00 H new ATOM 0 HG13 ILE A 55 25.889 -10.831 -21.468 1.00 0.00 H new ATOM 0 HG21 ILE A 55 24.854 -7.675 -23.244 1.00 0.00 H new ATOM 0 HG22 ILE A 55 23.515 -7.297 -22.134 1.00 0.00 H new ATOM 0 HG23 ILE A 55 25.199 -7.110 -21.593 1.00 0.00 H new ATOM 0 HD11 ILE A 55 27.210 -10.554 -23.521 1.00 0.00 H new ATOM 0 HD12 ILE A 55 25.480 -10.695 -23.913 1.00 0.00 H new ATOM 0 HD13 ILE A 55 26.274 -9.102 -23.947 1.00 0.00 H new ATOM 925 N ASP A 56 25.195 -7.508 -19.046 1.00 0.00 N ATOM 926 CA ASP A 56 25.881 -6.797 -17.930 1.00 0.00 C ATOM 927 C ASP A 56 25.139 -5.438 -17.745 1.00 0.00 C ATOM 928 O ASP A 56 24.193 -5.385 -16.953 1.00 0.00 O ATOM 929 CB ASP A 56 27.424 -6.690 -18.129 1.00 0.00 C ATOM 930 CG ASP A 56 28.198 -8.009 -18.015 1.00 0.00 C ATOM 931 OD1 ASP A 56 28.512 -8.431 -16.880 1.00 0.00 O ATOM 932 OD2 ASP A 56 28.488 -8.633 -19.060 1.00 0.00 O ATOM 0 H ASP A 56 24.920 -6.890 -19.809 1.00 0.00 H new ATOM 0 HA ASP A 56 25.816 -7.364 -17.002 1.00 0.00 H new ATOM 0 HB2 ASP A 56 27.617 -6.260 -19.112 1.00 0.00 H new ATOM 0 HB3 ASP A 56 27.820 -5.992 -17.392 1.00 0.00 H new ATOM 937 N SER A 57 25.518 -4.366 -18.481 1.00 0.00 N ATOM 938 CA SER A 57 24.791 -3.071 -18.463 1.00 0.00 C ATOM 939 C SER A 57 23.626 -3.069 -19.481 1.00 0.00 C ATOM 940 O SER A 57 22.486 -2.746 -19.083 1.00 0.00 O ATOM 941 CB SER A 57 25.762 -1.904 -18.738 1.00 0.00 C ATOM 942 OG SER A 57 26.733 -1.789 -17.703 1.00 0.00 O ATOM 943 OXT SER A 57 23.840 -3.377 -20.677 1.00 0.00 O ATOM 0 H SER A 57 26.329 -4.372 -19.099 1.00 0.00 H new ATOM 0 HA SER A 57 24.363 -2.937 -17.470 1.00 0.00 H new ATOM 0 HB2 SER A 57 26.262 -2.061 -19.694 1.00 0.00 H new ATOM 0 HB3 SER A 57 25.202 -0.973 -18.820 1.00 0.00 H new ATOM 0 HG SER A 57 27.337 -1.043 -17.902 1.00 0.00 H new TER 949 SER A 57