USER MOD reduce.3.24.130724 H: found=0, std=0, add=472, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 470 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 21 ASN : amide:sc= -1.36 K(o=-2.8,f=-7!) USER MOD Set 1.2: A 52 ASN : amide:sc= -1.42 K(o=-2.8,f=-1) USER MOD Set 2.1: A 26 GLN : amide:sc= -4.51! C(o=-7.6!,f=-4.2!) USER MOD Set 2.2: A 55 GLN : amide:sc= -3.05! K(o=-7.6!,f=-4.2) USER MOD Single : A 1 VAL N :NH3+ 175:sc= -0.788 (180deg=-0.842) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc=-0.00962 X(o=-0.0096,f=-0.12) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 MET CE :methyl -163:sc= -2.47! (180deg=-3.48!) USER MOD Single : A 11 ASN : amide:sc= 0.549 K(o=0.55,f=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= 0.293 K(o=0.29,f=-3.7!) USER MOD Single : A 24 ASN : amide:sc= 0.00836 K(o=0.0084,f=-0.85) USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 27 LYS NZ :NH3+ -166:sc=-0.00759 (180deg=-0.585) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 104:sc= 0.727 USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 SER OG : rot -87:sc= 1.07 USER MOD Single : A 43 ASN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 140:sc= 0.67 (180deg=0.315) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 2.882 -4.826 -19.250 1.00 0.00 N ATOM 2 CA VAL A 1 3.632 -5.668 -18.269 1.00 0.00 C ATOM 3 C VAL A 1 2.955 -7.034 -18.155 1.00 0.00 C ATOM 4 O VAL A 1 1.741 -7.152 -18.344 1.00 0.00 O ATOM 5 CB VAL A 1 3.663 -4.971 -16.894 1.00 0.00 C ATOM 6 CG1 VAL A 1 4.441 -3.649 -16.995 1.00 0.00 C ATOM 7 CG2 VAL A 1 2.230 -4.687 -16.409 1.00 0.00 C ATOM 0 H1 VAL A 1 3.288 -3.869 -19.268 1.00 0.00 H new ATOM 0 H2 VAL A 1 2.953 -5.250 -20.197 1.00 0.00 H new ATOM 0 H3 VAL A 1 1.882 -4.773 -18.969 1.00 0.00 H new ATOM 0 HA VAL A 1 4.657 -5.803 -18.613 1.00 0.00 H new ATOM 0 HB VAL A 1 4.158 -5.630 -16.180 1.00 0.00 H new ATOM 0 HG11 VAL A 1 4.459 -3.162 -16.020 1.00 0.00 H new ATOM 0 HG12 VAL A 1 5.462 -3.852 -17.318 1.00 0.00 H new ATOM 0 HG13 VAL A 1 3.954 -2.995 -17.718 1.00 0.00 H new ATOM 0 HG21 VAL A 1 2.266 -4.195 -15.437 1.00 0.00 H new ATOM 0 HG22 VAL A 1 1.725 -4.039 -17.126 1.00 0.00 H new ATOM 0 HG23 VAL A 1 1.683 -5.626 -16.320 1.00 0.00 H new ATOM 17 N ASP A 2 3.756 -8.064 -17.854 1.00 0.00 N ATOM 18 CA ASP A 2 3.243 -9.430 -17.725 1.00 0.00 C ATOM 19 C ASP A 2 2.622 -9.674 -16.336 1.00 0.00 C ATOM 20 O ASP A 2 2.407 -8.735 -15.563 1.00 0.00 O ATOM 21 CB ASP A 2 4.376 -10.438 -18.007 1.00 0.00 C ATOM 22 CG ASP A 2 5.482 -10.331 -16.953 1.00 0.00 C ATOM 23 OD1 ASP A 2 6.210 -9.351 -16.981 1.00 0.00 O ATOM 24 OD2 ASP A 2 5.580 -11.230 -16.132 1.00 0.00 O ATOM 0 H ASP A 2 4.760 -7.976 -17.696 1.00 0.00 H new ATOM 0 HA ASP A 2 2.449 -9.570 -18.459 1.00 0.00 H new ATOM 0 HB2 ASP A 2 3.973 -11.451 -18.014 1.00 0.00 H new ATOM 0 HB3 ASP A 2 4.793 -10.254 -18.997 1.00 0.00 H new ATOM 29 N ASN A 3 2.326 -10.946 -16.051 1.00 0.00 N ATOM 30 CA ASN A 3 1.714 -11.356 -14.780 1.00 0.00 C ATOM 31 C ASN A 3 2.552 -10.946 -13.561 1.00 0.00 C ATOM 32 O ASN A 3 2.032 -10.917 -12.442 1.00 0.00 O ATOM 33 CB ASN A 3 1.514 -12.881 -14.768 1.00 0.00 C ATOM 34 CG ASN A 3 0.585 -13.315 -15.906 1.00 0.00 C ATOM 35 OD1 ASN A 3 -0.459 -12.701 -16.132 1.00 0.00 O ATOM 36 ND2 ASN A 3 0.905 -14.344 -16.640 1.00 0.00 N ATOM 0 H ASN A 3 2.503 -11.720 -16.692 1.00 0.00 H new ATOM 0 HA ASN A 3 0.755 -10.843 -14.707 1.00 0.00 H new ATOM 0 HB2 ASN A 3 2.478 -13.380 -14.869 1.00 0.00 H new ATOM 0 HB3 ASN A 3 1.094 -13.190 -13.811 1.00 0.00 H new ATOM 0 HD21 ASN A 3 0.292 -14.639 -17.400 1.00 0.00 H new ATOM 0 HD22 ASN A 3 1.769 -14.854 -16.455 1.00 0.00 H new ATOM 43 N LYS A 4 3.846 -10.652 -13.776 1.00 0.00 N ATOM 44 CA LYS A 4 4.754 -10.269 -12.676 1.00 0.00 C ATOM 45 C LYS A 4 4.127 -9.197 -11.771 1.00 0.00 C ATOM 46 O LYS A 4 4.277 -9.249 -10.545 1.00 0.00 O ATOM 47 CB LYS A 4 6.076 -9.731 -13.259 1.00 0.00 C ATOM 48 CG LYS A 4 7.093 -9.470 -12.131 1.00 0.00 C ATOM 49 CD LYS A 4 8.393 -8.885 -12.711 1.00 0.00 C ATOM 50 CE LYS A 4 8.202 -7.400 -13.054 1.00 0.00 C ATOM 51 NZ LYS A 4 9.498 -6.831 -13.523 1.00 0.00 N ATOM 0 H LYS A 4 4.287 -10.671 -14.696 1.00 0.00 H new ATOM 0 HA LYS A 4 4.941 -11.158 -12.073 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.487 -10.449 -13.969 1.00 0.00 H new ATOM 0 HB3 LYS A 4 5.890 -8.809 -13.810 1.00 0.00 H new ATOM 0 HG2 LYS A 4 6.669 -8.780 -11.402 1.00 0.00 H new ATOM 0 HG3 LYS A 4 7.308 -10.399 -11.603 1.00 0.00 H new ATOM 0 HD2 LYS A 4 9.204 -8.998 -11.991 1.00 0.00 H new ATOM 0 HD3 LYS A 4 8.682 -9.438 -13.605 1.00 0.00 H new ATOM 0 HE2 LYS A 4 7.442 -7.289 -13.827 1.00 0.00 H new ATOM 0 HE3 LYS A 4 7.848 -6.855 -12.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 9.372 -5.825 -13.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 10.211 -6.925 -12.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 9.817 -7.345 -14.369 1.00 0.00 H new ATOM 65 N PHE A 5 3.431 -8.237 -12.382 1.00 0.00 N ATOM 66 CA PHE A 5 2.789 -7.160 -11.624 1.00 0.00 C ATOM 67 C PHE A 5 1.779 -7.726 -10.623 1.00 0.00 C ATOM 68 O PHE A 5 1.892 -7.494 -9.414 1.00 0.00 O ATOM 69 CB PHE A 5 2.083 -6.185 -12.591 1.00 0.00 C ATOM 70 CG PHE A 5 2.819 -4.858 -12.613 1.00 0.00 C ATOM 71 CD1 PHE A 5 4.096 -4.773 -13.185 1.00 0.00 C ATOM 72 CD2 PHE A 5 2.227 -3.717 -12.051 1.00 0.00 C ATOM 73 CE1 PHE A 5 4.777 -3.549 -13.196 1.00 0.00 C ATOM 74 CE2 PHE A 5 2.911 -2.495 -12.063 1.00 0.00 C ATOM 75 CZ PHE A 5 4.187 -2.411 -12.633 1.00 0.00 C ATOM 0 H PHE A 5 3.297 -8.182 -13.392 1.00 0.00 H new ATOM 0 HA PHE A 5 3.559 -6.623 -11.069 1.00 0.00 H new ATOM 0 HB2 PHE A 5 2.053 -6.611 -13.594 1.00 0.00 H new ATOM 0 HB3 PHE A 5 1.050 -6.033 -12.278 1.00 0.00 H new ATOM 0 HD1 PHE A 5 4.554 -5.650 -13.617 1.00 0.00 H new ATOM 0 HD2 PHE A 5 1.244 -3.781 -11.609 1.00 0.00 H new ATOM 0 HE1 PHE A 5 5.759 -3.483 -13.640 1.00 0.00 H new ATOM 0 HE2 PHE A 5 2.454 -1.617 -11.632 1.00 0.00 H new ATOM 0 HZ PHE A 5 4.716 -1.469 -12.638 1.00 0.00 H new ATOM 85 N ASN A 6 0.795 -8.464 -11.139 1.00 0.00 N ATOM 86 CA ASN A 6 -0.245 -9.059 -10.297 1.00 0.00 C ATOM 87 C ASN A 6 0.352 -10.012 -9.256 1.00 0.00 C ATOM 88 O ASN A 6 -0.108 -10.048 -8.111 1.00 0.00 O ATOM 89 CB ASN A 6 -1.256 -9.814 -11.172 1.00 0.00 C ATOM 90 CG ASN A 6 -1.941 -8.852 -12.146 1.00 0.00 C ATOM 91 OD1 ASN A 6 -2.443 -7.803 -11.740 1.00 0.00 O ATOM 92 ND2 ASN A 6 -1.988 -9.147 -13.414 1.00 0.00 N ATOM 0 H ASN A 6 0.696 -8.664 -12.134 1.00 0.00 H new ATOM 0 HA ASN A 6 -0.749 -8.252 -9.766 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -0.749 -10.603 -11.727 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -2.003 -10.297 -10.542 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -2.440 -8.510 -14.069 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -1.573 -10.015 -13.751 1.00 0.00 H new ATOM 99 N LYS A 7 1.370 -10.780 -9.661 1.00 0.00 N ATOM 100 CA LYS A 7 2.018 -11.733 -8.754 1.00 0.00 C ATOM 101 C LYS A 7 2.642 -11.030 -7.547 1.00 0.00 C ATOM 102 O LYS A 7 2.527 -11.513 -6.416 1.00 0.00 O ATOM 103 CB LYS A 7 3.083 -12.532 -9.503 1.00 0.00 C ATOM 104 CG LYS A 7 2.375 -13.541 -10.406 1.00 0.00 C ATOM 105 CD LYS A 7 3.391 -14.490 -11.036 1.00 0.00 C ATOM 106 CE LYS A 7 2.636 -15.556 -11.826 1.00 0.00 C ATOM 107 NZ LYS A 7 3.571 -16.653 -12.212 1.00 0.00 N ATOM 0 H LYS A 7 1.760 -10.761 -10.603 1.00 0.00 H new ATOM 0 HA LYS A 7 1.250 -12.412 -8.384 1.00 0.00 H new ATOM 0 HB2 LYS A 7 3.711 -11.867 -10.095 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.738 -13.046 -8.799 1.00 0.00 H new ATOM 0 HG2 LYS A 7 1.646 -14.109 -9.827 1.00 0.00 H new ATOM 0 HG3 LYS A 7 1.824 -13.017 -11.187 1.00 0.00 H new ATOM 0 HD2 LYS A 7 4.066 -13.940 -11.692 1.00 0.00 H new ATOM 0 HD3 LYS A 7 4.004 -14.955 -10.264 1.00 0.00 H new ATOM 0 HE2 LYS A 7 1.819 -15.956 -11.226 1.00 0.00 H new ATOM 0 HE3 LYS A 7 2.191 -15.114 -12.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 3.053 -17.377 -12.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 4.336 -16.266 -12.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 3.976 -17.082 -11.355 1.00 0.00 H new ATOM 121 N GLU A 8 3.304 -9.894 -7.792 1.00 0.00 N ATOM 122 CA GLU A 8 3.946 -9.138 -6.713 1.00 0.00 C ATOM 123 C GLU A 8 2.909 -8.452 -5.815 1.00 0.00 C ATOM 124 O GLU A 8 2.989 -8.547 -4.586 1.00 0.00 O ATOM 125 CB GLU A 8 4.897 -8.088 -7.308 1.00 0.00 C ATOM 126 CG GLU A 8 6.134 -8.782 -7.897 1.00 0.00 C ATOM 127 CD GLU A 8 7.118 -7.738 -8.431 1.00 0.00 C ATOM 128 OE1 GLU A 8 6.780 -7.077 -9.400 1.00 0.00 O ATOM 129 OE2 GLU A 8 8.192 -7.613 -7.865 1.00 0.00 O ATOM 0 H GLU A 8 3.408 -9.481 -8.719 1.00 0.00 H new ATOM 0 HA GLU A 8 4.511 -9.839 -6.099 1.00 0.00 H new ATOM 0 HB2 GLU A 8 4.385 -7.518 -8.083 1.00 0.00 H new ATOM 0 HB3 GLU A 8 5.199 -7.379 -6.537 1.00 0.00 H new ATOM 0 HG2 GLU A 8 6.617 -9.391 -7.133 1.00 0.00 H new ATOM 0 HG3 GLU A 8 5.835 -9.456 -8.700 1.00 0.00 H new ATOM 136 N MET A 9 1.943 -7.765 -6.437 1.00 0.00 N ATOM 137 CA MET A 9 0.892 -7.057 -5.688 1.00 0.00 C ATOM 138 C MET A 9 0.061 -8.021 -4.844 1.00 0.00 C ATOM 139 O MET A 9 -0.487 -7.621 -3.816 1.00 0.00 O ATOM 140 CB MET A 9 -0.026 -6.281 -6.646 1.00 0.00 C ATOM 141 CG MET A 9 0.552 -4.887 -6.915 1.00 0.00 C ATOM 142 SD MET A 9 2.289 -5.030 -7.412 1.00 0.00 S ATOM 143 CE MET A 9 2.085 -4.529 -9.138 1.00 0.00 C ATOM 0 H MET A 9 1.865 -7.683 -7.451 1.00 0.00 H new ATOM 0 HA MET A 9 1.387 -6.354 -5.018 1.00 0.00 H new ATOM 0 HB2 MET A 9 -0.131 -6.827 -7.584 1.00 0.00 H new ATOM 0 HB3 MET A 9 -1.023 -6.193 -6.215 1.00 0.00 H new ATOM 0 HG2 MET A 9 -0.021 -4.391 -7.698 1.00 0.00 H new ATOM 0 HG3 MET A 9 0.470 -4.270 -6.020 1.00 0.00 H new ATOM 0 HE1 MET A 9 2.963 -4.829 -9.710 1.00 0.00 H new ATOM 0 HE2 MET A 9 1.199 -5.009 -9.554 1.00 0.00 H new ATOM 0 HE3 MET A 9 1.970 -3.446 -9.191 1.00 0.00 H new ATOM 153 N ARG A 10 -0.031 -9.286 -5.271 1.00 0.00 N ATOM 154 CA ARG A 10 -0.800 -10.287 -4.521 1.00 0.00 C ATOM 155 C ARG A 10 -0.328 -10.327 -3.062 1.00 0.00 C ATOM 156 O ARG A 10 -1.128 -10.513 -2.142 1.00 0.00 O ATOM 157 CB ARG A 10 -0.630 -11.673 -5.165 1.00 0.00 C ATOM 158 CG ARG A 10 -1.551 -12.695 -4.474 1.00 0.00 C ATOM 159 CD ARG A 10 -1.336 -14.091 -5.078 1.00 0.00 C ATOM 160 NE ARG A 10 -1.724 -14.103 -6.491 1.00 0.00 N ATOM 161 CZ ARG A 10 -1.660 -15.211 -7.235 1.00 0.00 C ATOM 162 NH1 ARG A 10 -1.245 -16.337 -6.720 1.00 0.00 N ATOM 163 NH2 ARG A 10 -2.015 -15.169 -8.487 1.00 0.00 N ATOM 0 H ARG A 10 0.411 -9.638 -6.120 1.00 0.00 H new ATOM 0 HA ARG A 10 -1.854 -10.012 -4.545 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -0.866 -11.620 -6.228 1.00 0.00 H new ATOM 0 HB3 ARG A 10 0.408 -11.995 -5.084 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -1.345 -12.717 -3.404 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -2.592 -12.396 -4.592 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -0.289 -14.379 -4.980 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -1.922 -14.826 -4.527 1.00 0.00 H new ATOM 0 HE ARG A 10 -2.053 -13.238 -6.920 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -0.965 -16.377 -5.740 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -1.200 -17.176 -7.298 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -2.340 -14.293 -8.896 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -1.968 -16.012 -9.059 1.00 0.00 H new ATOM 177 N ASN A 11 0.983 -10.139 -2.874 1.00 0.00 N ATOM 178 CA ASN A 11 1.588 -10.138 -1.540 1.00 0.00 C ATOM 179 C ASN A 11 1.153 -8.907 -0.729 1.00 0.00 C ATOM 180 O ASN A 11 1.036 -8.982 0.497 1.00 0.00 O ATOM 181 CB ASN A 11 3.118 -10.154 -1.663 1.00 0.00 C ATOM 182 CG ASN A 11 3.569 -11.381 -2.454 1.00 0.00 C ATOM 183 OD1 ASN A 11 3.719 -12.465 -1.891 1.00 0.00 O ATOM 184 ND2 ASN A 11 3.784 -11.274 -3.736 1.00 0.00 N ATOM 0 H ASN A 11 1.647 -9.985 -3.633 1.00 0.00 H new ATOM 0 HA ASN A 11 1.248 -11.031 -1.016 1.00 0.00 H new ATOM 0 HB2 ASN A 11 3.460 -9.246 -2.159 1.00 0.00 H new ATOM 0 HB3 ASN A 11 3.570 -10.165 -0.671 1.00 0.00 H new ATOM 0 HD21 ASN A 11 4.077 -12.090 -4.274 1.00 0.00 H new ATOM 0 HD22 ASN A 11 3.659 -10.375 -4.201 1.00 0.00 H new ATOM 191 N ALA A 12 0.941 -7.775 -1.420 1.00 0.00 N ATOM 192 CA ALA A 12 0.546 -6.526 -0.751 1.00 0.00 C ATOM 193 C ALA A 12 -0.286 -5.630 -1.677 1.00 0.00 C ATOM 194 O ALA A 12 0.201 -5.190 -2.724 1.00 0.00 O ATOM 195 CB ALA A 12 1.807 -5.765 -0.326 1.00 0.00 C ATOM 0 H ALA A 12 1.036 -7.699 -2.433 1.00 0.00 H new ATOM 0 HA ALA A 12 -0.063 -6.783 0.116 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.522 -4.838 0.171 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.389 -6.380 0.360 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.407 -5.535 -1.206 1.00 0.00 H new ATOM 201 N TYR A 13 -1.533 -5.347 -1.273 1.00 0.00 N ATOM 202 CA TYR A 13 -2.419 -4.486 -2.064 1.00 0.00 C ATOM 203 C TYR A 13 -3.627 -4.026 -1.228 1.00 0.00 C ATOM 204 O TYR A 13 -3.564 -2.984 -0.566 1.00 0.00 O ATOM 205 CB TYR A 13 -2.876 -5.227 -3.338 1.00 0.00 C ATOM 206 CG TYR A 13 -3.692 -4.293 -4.216 1.00 0.00 C ATOM 207 CD1 TYR A 13 -3.044 -3.362 -5.039 1.00 0.00 C ATOM 208 CD2 TYR A 13 -5.094 -4.355 -4.204 1.00 0.00 C ATOM 209 CE1 TYR A 13 -3.793 -2.499 -5.849 1.00 0.00 C ATOM 210 CE2 TYR A 13 -5.841 -3.491 -5.015 1.00 0.00 C ATOM 211 CZ TYR A 13 -5.191 -2.564 -5.837 1.00 0.00 C ATOM 212 OH TYR A 13 -5.927 -1.713 -6.636 1.00 0.00 O ATOM 0 H TYR A 13 -1.947 -5.699 -0.410 1.00 0.00 H new ATOM 0 HA TYR A 13 -1.866 -3.595 -2.362 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.008 -5.591 -3.888 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -3.472 -6.099 -3.068 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -1.965 -3.310 -5.049 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -5.597 -5.069 -3.569 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -3.291 -1.783 -6.483 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -6.920 -3.540 -5.006 1.00 0.00 H new ATOM 0 HH TYR A 13 -6.883 -1.890 -6.509 1.00 0.00 H new ATOM 222 N TRP A 14 -4.720 -4.800 -1.268 1.00 0.00 N ATOM 223 CA TRP A 14 -5.940 -4.462 -0.525 1.00 0.00 C ATOM 224 C TRP A 14 -5.663 -4.294 0.969 1.00 0.00 C ATOM 225 O TRP A 14 -6.413 -3.599 1.665 1.00 0.00 O ATOM 226 CB TRP A 14 -7.010 -5.543 -0.739 1.00 0.00 C ATOM 227 CG TRP A 14 -6.482 -6.882 -0.315 1.00 0.00 C ATOM 228 CD1 TRP A 14 -6.389 -7.314 0.965 1.00 0.00 C ATOM 229 CD2 TRP A 14 -5.981 -7.968 -1.150 1.00 0.00 C ATOM 230 NE1 TRP A 14 -5.860 -8.593 0.967 1.00 0.00 N ATOM 231 CE2 TRP A 14 -5.592 -9.039 -0.312 1.00 0.00 C ATOM 232 CE3 TRP A 14 -5.825 -8.125 -2.540 1.00 0.00 C ATOM 233 CZ2 TRP A 14 -5.069 -10.224 -0.832 1.00 0.00 C ATOM 234 CZ3 TRP A 14 -5.299 -9.317 -3.068 1.00 0.00 C ATOM 235 CH2 TRP A 14 -4.921 -10.363 -2.215 1.00 0.00 C ATOM 0 H TRP A 14 -4.784 -5.664 -1.807 1.00 0.00 H new ATOM 0 HA TRP A 14 -6.305 -3.509 -0.909 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -7.905 -5.298 -0.167 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -7.302 -5.574 -1.789 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -6.680 -6.753 1.841 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -5.689 -9.140 1.811 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -6.111 -7.324 -3.206 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -4.781 -11.028 -0.171 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -5.186 -9.427 -4.136 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -4.516 -11.276 -2.626 1.00 0.00 H new ATOM 246 N GLU A 15 -4.591 -4.929 1.458 1.00 0.00 N ATOM 247 CA GLU A 15 -4.227 -4.842 2.879 1.00 0.00 C ATOM 248 C GLU A 15 -4.005 -3.384 3.296 1.00 0.00 C ATOM 249 O GLU A 15 -4.369 -2.986 4.406 1.00 0.00 O ATOM 250 CB GLU A 15 -2.944 -5.648 3.152 1.00 0.00 C ATOM 251 CG GLU A 15 -3.184 -7.149 2.888 1.00 0.00 C ATOM 252 CD GLU A 15 -2.565 -7.574 1.550 1.00 0.00 C ATOM 253 OE1 GLU A 15 -2.983 -7.055 0.526 1.00 0.00 O ATOM 254 OE2 GLU A 15 -1.683 -8.420 1.569 1.00 0.00 O ATOM 0 H GLU A 15 -3.964 -5.505 0.896 1.00 0.00 H new ATOM 0 HA GLU A 15 -5.049 -5.257 3.462 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -2.137 -5.285 2.516 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -2.627 -5.500 4.184 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.752 -7.738 3.697 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -4.254 -7.355 2.880 1.00 0.00 H new ATOM 261 N ILE A 16 -3.417 -2.594 2.395 1.00 0.00 N ATOM 262 CA ILE A 16 -3.163 -1.179 2.672 1.00 0.00 C ATOM 263 C ILE A 16 -4.488 -0.433 2.853 1.00 0.00 C ATOM 264 O ILE A 16 -4.602 0.447 3.710 1.00 0.00 O ATOM 265 CB ILE A 16 -2.356 -0.553 1.513 1.00 0.00 C ATOM 266 CG1 ILE A 16 -0.999 -1.278 1.377 1.00 0.00 C ATOM 267 CG2 ILE A 16 -2.115 0.944 1.785 1.00 0.00 C ATOM 268 CD1 ILE A 16 -0.276 -0.811 0.108 1.00 0.00 C ATOM 0 H ILE A 16 -3.110 -2.907 1.474 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.585 -1.096 3.592 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.922 -0.660 0.587 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.381 -1.076 2.252 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -1.156 -2.356 1.339 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.545 1.376 0.962 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -3.073 1.457 1.872 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.556 1.060 2.714 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.679 -1.329 0.022 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -0.890 -1.036 -0.764 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -0.103 0.264 0.163 1.00 0.00 H new ATOM 280 N ALA A 17 -5.477 -0.794 2.032 1.00 0.00 N ATOM 281 CA ALA A 17 -6.798 -0.164 2.085 1.00 0.00 C ATOM 282 C ALA A 17 -7.568 -0.580 3.343 1.00 0.00 C ATOM 283 O ALA A 17 -8.439 0.159 3.811 1.00 0.00 O ATOM 284 CB ALA A 17 -7.602 -0.537 0.833 1.00 0.00 C ATOM 0 H ALA A 17 -5.388 -1.520 1.322 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.656 0.916 2.121 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.584 -0.066 0.877 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -7.073 -0.191 -0.055 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -7.721 -1.619 0.786 1.00 0.00 H new ATOM 290 N LEU A 18 -7.250 -1.769 3.875 1.00 0.00 N ATOM 291 CA LEU A 18 -7.923 -2.282 5.075 1.00 0.00 C ATOM 292 C LEU A 18 -7.774 -1.307 6.247 1.00 0.00 C ATOM 293 O LEU A 18 -8.710 -1.131 7.033 1.00 0.00 O ATOM 294 CB LEU A 18 -7.341 -3.654 5.457 1.00 0.00 C ATOM 295 CG LEU A 18 -8.149 -4.284 6.611 1.00 0.00 C ATOM 296 CD1 LEU A 18 -9.556 -4.668 6.125 1.00 0.00 C ATOM 297 CD2 LEU A 18 -7.423 -5.542 7.114 1.00 0.00 C ATOM 0 H LEU A 18 -6.535 -2.390 3.495 1.00 0.00 H new ATOM 0 HA LEU A 18 -8.985 -2.389 4.852 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -7.357 -4.316 4.591 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -6.298 -3.543 5.754 1.00 0.00 H new ATOM 0 HG LEU A 18 -8.238 -3.559 7.420 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -10.117 -5.112 6.948 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -10.075 -3.777 5.771 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -9.476 -5.388 5.311 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -7.992 -5.989 7.929 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -7.332 -6.260 6.299 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -6.430 -5.271 7.471 1.00 0.00 H new ATOM 309 N LEU A 19 -6.598 -0.676 6.351 1.00 0.00 N ATOM 310 CA LEU A 19 -6.332 0.286 7.426 1.00 0.00 C ATOM 311 C LEU A 19 -7.337 1.454 7.334 1.00 0.00 C ATOM 312 O LEU A 19 -7.426 2.115 6.296 1.00 0.00 O ATOM 313 CB LEU A 19 -4.886 0.797 7.294 1.00 0.00 C ATOM 314 CG LEU A 19 -3.895 -0.058 8.129 1.00 0.00 C ATOM 315 CD1 LEU A 19 -4.253 -1.555 8.090 1.00 0.00 C ATOM 316 CD2 LEU A 19 -2.473 0.124 7.574 1.00 0.00 C ATOM 0 H LEU A 19 -5.819 -0.814 5.707 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.450 -0.193 8.398 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.588 0.779 6.246 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.836 1.835 7.622 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.956 0.281 9.163 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.534 -2.117 8.687 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.254 -1.700 8.496 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.224 -1.909 7.060 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.775 -0.475 8.158 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.445 -0.198 6.533 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.190 1.175 7.636 1.00 0.00 H new ATOM 328 N PRO A 20 -8.120 1.685 8.381 1.00 0.00 N ATOM 329 CA PRO A 20 -9.180 2.752 8.412 1.00 0.00 C ATOM 330 C PRO A 20 -8.735 4.153 8.869 1.00 0.00 C ATOM 331 O PRO A 20 -9.447 5.126 8.604 1.00 0.00 O ATOM 332 CB PRO A 20 -10.162 2.173 9.428 1.00 0.00 C ATOM 333 CG PRO A 20 -9.283 1.515 10.441 1.00 0.00 C ATOM 334 CD PRO A 20 -8.094 0.945 9.665 1.00 0.00 C ATOM 0 HA PRO A 20 -9.555 2.942 7.406 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -10.777 2.952 9.878 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -10.842 1.458 8.964 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -8.951 2.231 11.192 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -9.819 0.726 10.968 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -7.156 1.102 10.198 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -8.196 -0.129 9.510 1.00 0.00 H new ATOM 342 N ASN A 21 -7.616 4.259 9.596 1.00 0.00 N ATOM 343 CA ASN A 21 -7.177 5.563 10.121 1.00 0.00 C ATOM 344 C ASN A 21 -6.225 6.312 9.185 1.00 0.00 C ATOM 345 O ASN A 21 -5.833 7.444 9.487 1.00 0.00 O ATOM 346 CB ASN A 21 -6.525 5.361 11.497 1.00 0.00 C ATOM 347 CG ASN A 21 -5.312 4.442 11.400 1.00 0.00 C ATOM 348 OD1 ASN A 21 -4.942 3.992 10.308 1.00 0.00 O ATOM 349 ND2 ASN A 21 -4.675 4.123 12.490 1.00 0.00 N ATOM 0 H ASN A 21 -7.007 3.476 9.832 1.00 0.00 H new ATOM 0 HA ASN A 21 -8.065 6.189 10.207 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -6.223 6.326 11.905 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -7.252 4.936 12.189 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -3.868 3.500 12.446 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -4.983 4.496 13.388 1.00 0.00 H new ATOM 356 N LEU A 22 -5.867 5.714 8.046 1.00 0.00 N ATOM 357 CA LEU A 22 -4.977 6.405 7.109 1.00 0.00 C ATOM 358 C LEU A 22 -5.700 7.601 6.504 1.00 0.00 C ATOM 359 O LEU A 22 -6.890 7.519 6.188 1.00 0.00 O ATOM 360 CB LEU A 22 -4.517 5.489 5.961 1.00 0.00 C ATOM 361 CG LEU A 22 -3.772 4.256 6.488 1.00 0.00 C ATOM 362 CD1 LEU A 22 -3.828 3.146 5.428 1.00 0.00 C ATOM 363 CD2 LEU A 22 -2.303 4.614 6.748 1.00 0.00 C ATOM 0 H LEU A 22 -6.168 4.783 7.756 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.099 6.720 7.674 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -5.382 5.171 5.379 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.867 6.047 5.287 1.00 0.00 H new ATOM 0 HG LEU A 22 -4.238 3.919 7.414 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.300 2.266 5.795 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.868 2.888 5.226 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.356 3.496 4.510 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.775 3.737 7.122 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.840 4.947 5.819 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.249 5.413 7.487 1.00 0.00 H new ATOM 375 N ASN A 23 -4.969 8.707 6.335 1.00 0.00 N ATOM 376 CA ASN A 23 -5.549 9.924 5.745 1.00 0.00 C ATOM 377 C ASN A 23 -6.080 9.635 4.331 1.00 0.00 C ATOM 378 O ASN A 23 -5.622 8.699 3.666 1.00 0.00 O ATOM 379 CB ASN A 23 -4.499 11.041 5.683 1.00 0.00 C ATOM 380 CG ASN A 23 -5.145 12.345 5.214 1.00 0.00 C ATOM 381 OD1 ASN A 23 -5.090 12.676 4.029 1.00 0.00 O ATOM 382 ND2 ASN A 23 -5.757 13.108 6.077 1.00 0.00 N ATOM 0 H ASN A 23 -3.986 8.788 6.594 1.00 0.00 H new ATOM 0 HA ASN A 23 -6.377 10.248 6.376 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -4.049 11.182 6.666 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -3.696 10.758 5.002 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -6.190 13.979 5.770 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -5.802 12.834 7.058 1.00 0.00 H new ATOM 389 N ASN A 24 -7.062 10.433 3.895 1.00 0.00 N ATOM 390 CA ASN A 24 -7.680 10.259 2.574 1.00 0.00 C ATOM 391 C ASN A 24 -6.645 10.305 1.445 1.00 0.00 C ATOM 392 O ASN A 24 -6.728 9.527 0.491 1.00 0.00 O ATOM 393 CB ASN A 24 -8.727 11.359 2.346 1.00 0.00 C ATOM 394 CG ASN A 24 -9.848 11.242 3.377 1.00 0.00 C ATOM 395 OD1 ASN A 24 -9.700 11.698 4.511 1.00 0.00 O ATOM 396 ND2 ASN A 24 -10.966 10.653 3.051 1.00 0.00 N ATOM 0 H ASN A 24 -7.446 11.206 4.438 1.00 0.00 H new ATOM 0 HA ASN A 24 -8.151 9.276 2.558 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -8.257 12.340 2.419 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -9.138 11.277 1.340 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -11.717 10.570 3.736 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -11.088 10.275 2.111 1.00 0.00 H new ATOM 403 N GLN A 25 -5.686 11.226 1.552 1.00 0.00 N ATOM 404 CA GLN A 25 -4.647 11.374 0.526 1.00 0.00 C ATOM 405 C GLN A 25 -3.639 10.221 0.562 1.00 0.00 C ATOM 406 O GLN A 25 -3.198 9.741 -0.485 1.00 0.00 O ATOM 407 CB GLN A 25 -3.904 12.704 0.724 1.00 0.00 C ATOM 408 CG GLN A 25 -4.857 13.879 0.448 1.00 0.00 C ATOM 409 CD GLN A 25 -4.153 15.220 0.686 1.00 0.00 C ATOM 410 OE1 GLN A 25 -3.236 15.314 1.504 1.00 0.00 O ATOM 411 NE2 GLN A 25 -4.536 16.271 0.015 1.00 0.00 N ATOM 0 H GLN A 25 -5.605 11.878 2.332 1.00 0.00 H new ATOM 0 HA GLN A 25 -5.142 11.360 -0.445 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -3.518 12.768 1.742 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -3.046 12.755 0.054 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -5.215 13.829 -0.580 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -5.732 13.803 1.094 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -5.295 16.195 -0.662 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -4.077 17.169 0.168 1.00 0.00 H new ATOM 420 N GLN A 26 -3.255 9.809 1.771 1.00 0.00 N ATOM 421 CA GLN A 26 -2.263 8.745 1.941 1.00 0.00 C ATOM 422 C GLN A 26 -2.711 7.414 1.328 1.00 0.00 C ATOM 423 O GLN A 26 -1.912 6.748 0.667 1.00 0.00 O ATOM 424 CB GLN A 26 -1.957 8.553 3.432 1.00 0.00 C ATOM 425 CG GLN A 26 -1.243 9.800 3.978 1.00 0.00 C ATOM 426 CD GLN A 26 -0.959 9.640 5.471 1.00 0.00 C ATOM 427 OE1 GLN A 26 0.187 9.765 5.904 1.00 0.00 O ATOM 428 NE2 GLN A 26 -1.939 9.369 6.286 1.00 0.00 N ATOM 0 H GLN A 26 -3.614 10.194 2.645 1.00 0.00 H new ATOM 0 HA GLN A 26 -1.364 9.057 1.409 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -2.881 8.380 3.984 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -1.331 7.672 3.574 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -0.309 9.958 3.438 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -1.860 10.683 3.811 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -2.888 9.266 5.926 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -1.757 9.260 7.284 1.00 0.00 H new ATOM 437 N LYS A 27 -3.969 7.016 1.551 1.00 0.00 N ATOM 438 CA LYS A 27 -4.450 5.740 1.004 1.00 0.00 C ATOM 439 C LYS A 27 -4.415 5.751 -0.527 1.00 0.00 C ATOM 440 O LYS A 27 -3.943 4.793 -1.145 1.00 0.00 O ATOM 441 CB LYS A 27 -5.864 5.400 1.521 1.00 0.00 C ATOM 442 CG LYS A 27 -6.873 6.510 1.177 1.00 0.00 C ATOM 443 CD LYS A 27 -8.297 6.082 1.591 1.00 0.00 C ATOM 444 CE LYS A 27 -8.398 5.884 3.113 1.00 0.00 C ATOM 445 NZ LYS A 27 -8.094 7.163 3.816 1.00 0.00 N ATOM 0 H LYS A 27 -4.657 7.541 2.091 1.00 0.00 H new ATOM 0 HA LYS A 27 -3.775 4.958 1.353 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -6.195 4.458 1.084 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -5.833 5.257 2.601 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.599 7.432 1.689 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -6.845 6.719 0.108 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -9.014 6.838 1.272 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -8.563 5.155 1.083 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -9.399 5.543 3.378 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -7.702 5.109 3.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -7.931 6.974 4.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -7.242 7.593 3.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -8.897 7.816 3.712 1.00 0.00 H new ATOM 459 N ARG A 28 -4.902 6.836 -1.128 1.00 0.00 N ATOM 460 CA ARG A 28 -4.908 6.963 -2.586 1.00 0.00 C ATOM 461 C ARG A 28 -3.475 6.999 -3.126 1.00 0.00 C ATOM 462 O ARG A 28 -3.185 6.435 -4.186 1.00 0.00 O ATOM 463 CB ARG A 28 -5.651 8.244 -2.997 1.00 0.00 C ATOM 464 CG ARG A 28 -5.781 8.310 -4.528 1.00 0.00 C ATOM 465 CD ARG A 28 -6.604 9.540 -4.931 1.00 0.00 C ATOM 466 NE ARG A 28 -5.858 10.768 -4.641 1.00 0.00 N ATOM 467 CZ ARG A 28 -6.341 11.978 -4.935 1.00 0.00 C ATOM 468 NH1 ARG A 28 -7.513 12.111 -5.495 1.00 0.00 N ATOM 469 NH2 ARG A 28 -5.635 13.037 -4.659 1.00 0.00 N ATOM 0 H ARG A 28 -5.295 7.636 -0.632 1.00 0.00 H new ATOM 0 HA ARG A 28 -5.420 6.098 -3.008 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -6.640 8.263 -2.539 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.113 9.119 -2.632 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -4.792 8.359 -4.984 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.259 7.404 -4.900 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -6.843 9.494 -5.993 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -7.551 9.545 -4.391 1.00 0.00 H new ATOM 0 HE ARG A 28 -4.941 10.696 -4.201 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -8.071 11.285 -5.713 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -7.871 13.041 -5.715 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -4.719 12.939 -4.221 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -5.998 13.964 -4.881 1.00 0.00 H new ATOM 483 N ALA A 29 -2.596 7.683 -2.389 1.00 0.00 N ATOM 484 CA ALA A 29 -1.195 7.827 -2.786 1.00 0.00 C ATOM 485 C ALA A 29 -0.456 6.484 -2.782 1.00 0.00 C ATOM 486 O ALA A 29 0.279 6.182 -3.724 1.00 0.00 O ATOM 487 CB ALA A 29 -0.492 8.809 -1.840 1.00 0.00 C ATOM 0 H ALA A 29 -2.832 8.147 -1.512 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.175 8.210 -3.806 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.552 8.916 -2.136 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -0.985 9.780 -1.891 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -0.542 8.430 -0.819 1.00 0.00 H new ATOM 493 N PHE A 30 -0.638 5.694 -1.715 1.00 0.00 N ATOM 494 CA PHE A 30 0.039 4.395 -1.605 1.00 0.00 C ATOM 495 C PHE A 30 -0.361 3.465 -2.753 1.00 0.00 C ATOM 496 O PHE A 30 0.506 2.871 -3.407 1.00 0.00 O ATOM 497 CB PHE A 30 -0.291 3.736 -0.259 1.00 0.00 C ATOM 498 CG PHE A 30 0.696 4.204 0.799 1.00 0.00 C ATOM 499 CD1 PHE A 30 0.904 5.575 1.018 1.00 0.00 C ATOM 500 CD2 PHE A 30 1.404 3.263 1.564 1.00 0.00 C ATOM 501 CE1 PHE A 30 1.815 6.000 1.994 1.00 0.00 C ATOM 502 CE2 PHE A 30 2.312 3.694 2.537 1.00 0.00 C ATOM 503 CZ PHE A 30 2.518 5.059 2.752 1.00 0.00 C ATOM 0 H PHE A 30 -1.240 5.927 -0.925 1.00 0.00 H new ATOM 0 HA PHE A 30 1.113 4.570 -1.665 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -1.308 3.990 0.041 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.248 2.651 -0.355 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.361 6.303 0.433 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.248 2.207 1.401 1.00 0.00 H new ATOM 0 HE1 PHE A 30 1.974 7.055 2.161 1.00 0.00 H new ATOM 0 HE2 PHE A 30 2.856 2.969 3.124 1.00 0.00 H new ATOM 0 HZ PHE A 30 3.220 5.387 3.504 1.00 0.00 H new ATOM 513 N ILE A 31 -1.670 3.349 -3.006 1.00 0.00 N ATOM 514 CA ILE A 31 -2.158 2.492 -4.095 1.00 0.00 C ATOM 515 C ILE A 31 -1.553 2.952 -5.429 1.00 0.00 C ATOM 516 O ILE A 31 -1.147 2.126 -6.248 1.00 0.00 O ATOM 517 CB ILE A 31 -3.703 2.502 -4.148 1.00 0.00 C ATOM 518 CG1 ILE A 31 -4.258 1.885 -2.845 1.00 0.00 C ATOM 519 CG2 ILE A 31 -4.200 1.683 -5.355 1.00 0.00 C ATOM 520 CD1 ILE A 31 -5.791 1.962 -2.826 1.00 0.00 C ATOM 0 H ILE A 31 -2.401 3.829 -2.481 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.843 1.465 -3.908 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.051 3.530 -4.252 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.939 0.846 -2.763 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.850 2.413 -1.983 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -5.290 1.698 -5.381 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.809 2.117 -6.275 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -3.853 0.654 -5.264 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -6.166 1.523 -1.901 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -6.104 3.004 -2.886 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -6.193 1.413 -3.677 1.00 0.00 H new ATOM 532 N ARG A 32 -1.472 4.271 -5.622 1.00 0.00 N ATOM 533 CA ARG A 32 -0.880 4.826 -6.840 1.00 0.00 C ATOM 534 C ARG A 32 0.615 4.488 -6.894 1.00 0.00 C ATOM 535 O ARG A 32 1.166 4.204 -7.966 1.00 0.00 O ATOM 536 CB ARG A 32 -1.078 6.350 -6.875 1.00 0.00 C ATOM 537 CG ARG A 32 -0.610 6.913 -8.228 1.00 0.00 C ATOM 538 CD ARG A 32 -0.794 8.436 -8.249 1.00 0.00 C ATOM 539 NE ARG A 32 -0.454 8.968 -9.572 1.00 0.00 N ATOM 540 CZ ARG A 32 -0.564 10.266 -9.864 1.00 0.00 C ATOM 541 NH1 ARG A 32 -0.981 11.120 -8.969 1.00 0.00 N ATOM 542 NH2 ARG A 32 -0.250 10.687 -11.057 1.00 0.00 N ATOM 0 H ARG A 32 -1.806 4.968 -4.957 1.00 0.00 H new ATOM 0 HA ARG A 32 -1.374 4.387 -7.707 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -2.129 6.592 -6.716 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -0.517 6.816 -6.065 1.00 0.00 H new ATOM 0 HG2 ARG A 32 0.438 6.662 -8.394 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -1.179 6.458 -9.038 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -1.825 8.689 -8.001 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -0.162 8.897 -7.490 1.00 0.00 H new ATOM 0 HE ARG A 32 -0.123 8.326 -10.292 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -1.227 10.798 -8.033 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -1.060 12.109 -9.206 1.00 0.00 H new ATOM 0 HH21 ARG A 32 0.078 10.026 -11.761 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -0.332 11.678 -11.286 1.00 0.00 H new ATOM 556 N SER A 33 1.262 4.533 -5.721 1.00 0.00 N ATOM 557 CA SER A 33 2.697 4.246 -5.612 1.00 0.00 C ATOM 558 C SER A 33 3.023 2.836 -6.109 1.00 0.00 C ATOM 559 O SER A 33 4.089 2.623 -6.694 1.00 0.00 O ATOM 560 CB SER A 33 3.166 4.409 -4.162 1.00 0.00 C ATOM 561 OG SER A 33 4.591 4.396 -4.120 1.00 0.00 O ATOM 0 H SER A 33 0.813 4.766 -4.835 1.00 0.00 H new ATOM 0 HA SER A 33 3.226 4.960 -6.243 1.00 0.00 H new ATOM 0 HB2 SER A 33 2.788 5.344 -3.749 1.00 0.00 H new ATOM 0 HB3 SER A 33 2.766 3.604 -3.546 1.00 0.00 H new ATOM 0 HG SER A 33 4.892 4.502 -3.193 1.00 0.00 H new ATOM 567 N LEU A 34 2.109 1.875 -5.879 1.00 0.00 N ATOM 568 CA LEU A 34 2.336 0.490 -6.332 1.00 0.00 C ATOM 569 C LEU A 34 2.636 0.479 -7.833 1.00 0.00 C ATOM 570 O LEU A 34 3.585 -0.170 -8.283 1.00 0.00 O ATOM 571 CB LEU A 34 1.096 -0.392 -6.062 1.00 0.00 C ATOM 572 CG LEU A 34 1.233 -1.195 -4.755 1.00 0.00 C ATOM 573 CD1 LEU A 34 2.453 -2.129 -4.835 1.00 0.00 C ATOM 574 CD2 LEU A 34 1.364 -0.245 -3.554 1.00 0.00 C ATOM 0 H LEU A 34 1.225 2.026 -5.393 1.00 0.00 H new ATOM 0 HA LEU A 34 3.183 0.088 -5.776 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.208 0.238 -6.009 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.951 -1.079 -6.896 1.00 0.00 H new ATOM 0 HG LEU A 34 0.336 -1.800 -4.620 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.541 -2.692 -3.906 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.328 -2.820 -5.668 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.355 -1.537 -4.987 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.460 -0.828 -2.638 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.247 0.381 -3.680 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.478 0.386 -3.491 1.00 0.00 H new ATOM 586 N TYR A 35 1.822 1.218 -8.590 1.00 0.00 N ATOM 587 CA TYR A 35 1.994 1.317 -10.038 1.00 0.00 C ATOM 588 C TYR A 35 3.327 1.996 -10.367 1.00 0.00 C ATOM 589 O TYR A 35 4.021 1.593 -11.304 1.00 0.00 O ATOM 590 CB TYR A 35 0.832 2.115 -10.651 1.00 0.00 C ATOM 591 CG TYR A 35 0.929 2.090 -12.167 1.00 0.00 C ATOM 592 CD1 TYR A 35 0.393 1.013 -12.887 1.00 0.00 C ATOM 593 CD2 TYR A 35 1.556 3.143 -12.850 1.00 0.00 C ATOM 594 CE1 TYR A 35 0.483 0.989 -14.284 1.00 0.00 C ATOM 595 CE2 TYR A 35 1.645 3.117 -14.247 1.00 0.00 C ATOM 596 CZ TYR A 35 1.109 2.041 -14.963 1.00 0.00 C ATOM 597 OH TYR A 35 1.197 2.017 -16.341 1.00 0.00 O ATOM 0 H TYR A 35 1.037 1.756 -8.223 1.00 0.00 H new ATOM 0 HA TYR A 35 1.998 0.313 -10.461 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -0.120 1.691 -10.332 1.00 0.00 H new ATOM 0 HB3 TYR A 35 0.858 3.144 -10.293 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -0.090 0.201 -12.363 1.00 0.00 H new ATOM 0 HD2 TYR A 35 1.970 3.974 -12.298 1.00 0.00 H new ATOM 0 HE1 TYR A 35 0.070 0.159 -14.838 1.00 0.00 H new ATOM 0 HE2 TYR A 35 2.128 3.928 -14.772 1.00 0.00 H new ATOM 0 HH TYR A 35 1.660 2.822 -16.653 1.00 0.00 H new ATOM 607 N ASP A 36 3.664 3.037 -9.592 1.00 0.00 N ATOM 608 CA ASP A 36 4.907 3.786 -9.805 1.00 0.00 C ATOM 609 C ASP A 36 6.133 2.871 -9.725 1.00 0.00 C ATOM 610 O ASP A 36 7.068 3.016 -10.517 1.00 0.00 O ATOM 611 CB ASP A 36 5.031 4.906 -8.764 1.00 0.00 C ATOM 612 CG ASP A 36 6.212 5.815 -9.114 1.00 0.00 C ATOM 613 OD1 ASP A 36 6.029 6.710 -9.923 1.00 0.00 O ATOM 614 OD2 ASP A 36 7.285 5.601 -8.568 1.00 0.00 O ATOM 0 H ASP A 36 3.095 3.377 -8.816 1.00 0.00 H new ATOM 0 HA ASP A 36 4.869 4.217 -10.805 1.00 0.00 H new ATOM 0 HB2 ASP A 36 4.110 5.488 -8.732 1.00 0.00 H new ATOM 0 HB3 ASP A 36 5.172 4.478 -7.772 1.00 0.00 H new ATOM 619 N ASP A 37 6.124 1.931 -8.768 1.00 0.00 N ATOM 620 CA ASP A 37 7.248 0.998 -8.603 1.00 0.00 C ATOM 621 C ASP A 37 6.841 -0.208 -7.731 1.00 0.00 C ATOM 622 O ASP A 37 6.757 -0.086 -6.501 1.00 0.00 O ATOM 623 CB ASP A 37 8.453 1.728 -7.964 1.00 0.00 C ATOM 624 CG ASP A 37 9.752 1.333 -8.676 1.00 0.00 C ATOM 625 OD1 ASP A 37 10.121 0.170 -8.600 1.00 0.00 O ATOM 626 OD2 ASP A 37 10.360 2.199 -9.287 1.00 0.00 O ATOM 0 H ASP A 37 5.361 1.797 -8.104 1.00 0.00 H new ATOM 0 HA ASP A 37 7.532 0.628 -9.588 1.00 0.00 H new ATOM 0 HB2 ASP A 37 8.309 2.807 -8.027 1.00 0.00 H new ATOM 0 HB3 ASP A 37 8.520 1.477 -6.905 1.00 0.00 H new ATOM 631 N PRO A 38 6.596 -1.370 -8.325 1.00 0.00 N ATOM 632 CA PRO A 38 6.199 -2.592 -7.553 1.00 0.00 C ATOM 633 C PRO A 38 7.313 -3.049 -6.614 1.00 0.00 C ATOM 634 O PRO A 38 7.066 -3.780 -5.650 1.00 0.00 O ATOM 635 CB PRO A 38 5.912 -3.645 -8.631 1.00 0.00 C ATOM 636 CG PRO A 38 6.647 -3.185 -9.844 1.00 0.00 C ATOM 637 CD PRO A 38 6.678 -1.658 -9.775 1.00 0.00 C ATOM 0 HA PRO A 38 5.338 -2.410 -6.910 1.00 0.00 H new ATOM 0 HB2 PRO A 38 6.253 -4.631 -8.316 1.00 0.00 H new ATOM 0 HB3 PRO A 38 4.843 -3.725 -8.827 1.00 0.00 H new ATOM 0 HG2 PRO A 38 7.657 -3.594 -9.864 1.00 0.00 H new ATOM 0 HG3 PRO A 38 6.148 -3.523 -10.752 1.00 0.00 H new ATOM 0 HD2 PRO A 38 7.592 -1.256 -10.212 1.00 0.00 H new ATOM 0 HD3 PRO A 38 5.843 -1.216 -10.319 1.00 0.00 H new ATOM 645 N SER A 39 8.539 -2.612 -6.914 1.00 0.00 N ATOM 646 CA SER A 39 9.709 -2.967 -6.114 1.00 0.00 C ATOM 647 C SER A 39 9.536 -2.530 -4.658 1.00 0.00 C ATOM 648 O SER A 39 10.045 -3.187 -3.746 1.00 0.00 O ATOM 649 CB SER A 39 10.962 -2.297 -6.695 1.00 0.00 C ATOM 650 OG SER A 39 10.998 -2.494 -8.104 1.00 0.00 O ATOM 0 H SER A 39 8.745 -2.009 -7.710 1.00 0.00 H new ATOM 0 HA SER A 39 9.819 -4.051 -6.143 1.00 0.00 H new ATOM 0 HB2 SER A 39 10.956 -1.231 -6.467 1.00 0.00 H new ATOM 0 HB3 SER A 39 11.857 -2.716 -6.236 1.00 0.00 H new ATOM 0 HG SER A 39 10.735 -1.666 -8.557 1.00 0.00 H new ATOM 656 N GLN A 40 8.832 -1.408 -4.449 1.00 0.00 N ATOM 657 CA GLN A 40 8.617 -0.881 -3.100 1.00 0.00 C ATOM 658 C GLN A 40 7.424 -1.546 -2.407 1.00 0.00 C ATOM 659 O GLN A 40 7.166 -1.260 -1.248 1.00 0.00 O ATOM 660 CB GLN A 40 8.379 0.636 -3.163 1.00 0.00 C ATOM 661 CG GLN A 40 9.586 1.331 -3.802 1.00 0.00 C ATOM 662 CD GLN A 40 9.431 2.849 -3.714 1.00 0.00 C ATOM 663 OE1 GLN A 40 8.456 3.408 -4.217 1.00 0.00 O ATOM 664 NE2 GLN A 40 10.341 3.553 -3.100 1.00 0.00 N ATOM 0 H GLN A 40 8.406 -0.854 -5.192 1.00 0.00 H new ATOM 0 HA GLN A 40 9.513 -1.101 -2.519 1.00 0.00 H new ATOM 0 HB2 GLN A 40 7.479 0.847 -3.741 1.00 0.00 H new ATOM 0 HB3 GLN A 40 8.213 1.028 -2.160 1.00 0.00 H new ATOM 0 HG2 GLN A 40 10.501 1.022 -3.297 1.00 0.00 H new ATOM 0 HG3 GLN A 40 9.679 1.028 -4.845 1.00 0.00 H new ATOM 0 HE21 GLN A 40 11.149 3.090 -2.683 1.00 0.00 H new ATOM 0 HE22 GLN A 40 10.245 4.566 -3.037 1.00 0.00 H new ATOM 673 N SER A 41 6.695 -2.411 -3.122 1.00 0.00 N ATOM 674 CA SER A 41 5.507 -3.088 -2.563 1.00 0.00 C ATOM 675 C SER A 41 5.691 -3.499 -1.095 1.00 0.00 C ATOM 676 O SER A 41 4.852 -3.182 -0.243 1.00 0.00 O ATOM 677 CB SER A 41 5.182 -4.328 -3.394 1.00 0.00 C ATOM 678 OG SER A 41 6.332 -5.164 -3.477 1.00 0.00 O ATOM 0 H SER A 41 6.902 -2.662 -4.089 1.00 0.00 H new ATOM 0 HA SER A 41 4.686 -2.372 -2.602 1.00 0.00 H new ATOM 0 HB2 SER A 41 4.355 -4.875 -2.941 1.00 0.00 H new ATOM 0 HB3 SER A 41 4.861 -4.034 -4.393 1.00 0.00 H new ATOM 0 HG SER A 41 6.883 -4.888 -4.239 1.00 0.00 H new ATOM 684 N ALA A 42 6.790 -4.194 -0.814 1.00 0.00 N ATOM 685 CA ALA A 42 7.081 -4.645 0.548 1.00 0.00 C ATOM 686 C ALA A 42 7.282 -3.448 1.479 1.00 0.00 C ATOM 687 O ALA A 42 6.792 -3.437 2.615 1.00 0.00 O ATOM 688 CB ALA A 42 8.343 -5.514 0.549 1.00 0.00 C ATOM 0 H ALA A 42 7.492 -4.457 -1.506 1.00 0.00 H new ATOM 0 HA ALA A 42 6.235 -5.231 0.907 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.555 -5.847 1.565 1.00 0.00 H new ATOM 0 HB2 ALA A 42 8.188 -6.382 -0.092 1.00 0.00 H new ATOM 0 HB3 ALA A 42 9.185 -4.932 0.175 1.00 0.00 H new ATOM 694 N ASN A 43 8.002 -2.443 0.979 1.00 0.00 N ATOM 695 CA ASN A 43 8.272 -1.231 1.757 1.00 0.00 C ATOM 696 C ASN A 43 6.982 -0.453 2.002 1.00 0.00 C ATOM 697 O ASN A 43 6.712 -0.030 3.123 1.00 0.00 O ATOM 698 CB ASN A 43 9.263 -0.321 1.012 1.00 0.00 C ATOM 699 CG ASN A 43 10.598 -1.023 0.767 1.00 0.00 C ATOM 700 OD1 ASN A 43 10.915 -2.026 1.407 1.00 0.00 O ATOM 701 ND2 ASN A 43 11.409 -0.535 -0.127 1.00 0.00 N ATOM 0 H ASN A 43 8.408 -2.443 0.043 1.00 0.00 H new ATOM 0 HA ASN A 43 8.702 -1.537 2.711 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.831 -0.016 0.059 1.00 0.00 H new ATOM 0 HB3 ASN A 43 9.430 0.587 1.591 1.00 0.00 H new ATOM 0 HD21 ASN A 43 12.309 -0.984 -0.298 1.00 0.00 H new ATOM 0 HD22 ASN A 43 11.144 0.296 -0.656 1.00 0.00 H new ATOM 708 N LEU A 44 6.197 -0.272 0.936 1.00 0.00 N ATOM 709 CA LEU A 44 4.931 0.460 1.012 1.00 0.00 C ATOM 710 C LEU A 44 3.995 -0.176 2.038 1.00 0.00 C ATOM 711 O LEU A 44 3.312 0.532 2.778 1.00 0.00 O ATOM 712 CB LEU A 44 4.237 0.458 -0.352 1.00 0.00 C ATOM 713 CG LEU A 44 5.094 1.159 -1.436 1.00 0.00 C ATOM 714 CD1 LEU A 44 4.334 1.160 -2.769 1.00 0.00 C ATOM 715 CD2 LEU A 44 5.398 2.608 -1.030 1.00 0.00 C ATOM 0 H LEU A 44 6.419 -0.625 0.005 1.00 0.00 H new ATOM 0 HA LEU A 44 5.156 1.483 1.315 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.036 -0.569 -0.656 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.273 0.960 -0.270 1.00 0.00 H new ATOM 0 HG LEU A 44 6.033 0.616 -1.541 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.937 1.653 -3.531 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.133 0.133 -3.074 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.392 1.695 -2.650 1.00 0.00 H new ATOM 0 HD21 LEU A 44 6.001 3.084 -1.804 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.463 3.156 -0.910 1.00 0.00 H new ATOM 0 HD23 LEU A 44 5.946 2.615 -0.088 1.00 0.00 H new ATOM 727 N LEU A 45 3.973 -1.514 2.077 1.00 0.00 N ATOM 728 CA LEU A 45 3.125 -2.235 3.032 1.00 0.00 C ATOM 729 C LEU A 45 3.552 -1.891 4.459 1.00 0.00 C ATOM 730 O LEU A 45 2.717 -1.545 5.301 1.00 0.00 O ATOM 731 CB LEU A 45 3.240 -3.748 2.779 1.00 0.00 C ATOM 732 CG LEU A 45 2.564 -4.560 3.910 1.00 0.00 C ATOM 733 CD1 LEU A 45 1.069 -4.218 3.998 1.00 0.00 C ATOM 734 CD2 LEU A 45 2.724 -6.063 3.630 1.00 0.00 C ATOM 0 H LEU A 45 4.527 -2.113 1.465 1.00 0.00 H new ATOM 0 HA LEU A 45 2.085 -1.937 2.901 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.777 -3.995 1.824 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.291 -4.028 2.706 1.00 0.00 H new ATOM 0 HG LEU A 45 3.042 -4.305 4.856 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.610 -4.798 4.798 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.951 -3.155 4.206 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.584 -4.458 3.052 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.248 -6.634 4.427 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.254 -6.308 2.677 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.784 -6.314 3.587 1.00 0.00 H new ATOM 746 N ALA A 46 4.861 -1.967 4.710 1.00 0.00 N ATOM 747 CA ALA A 46 5.404 -1.639 6.030 1.00 0.00 C ATOM 748 C ALA A 46 5.143 -0.165 6.337 1.00 0.00 C ATOM 749 O ALA A 46 4.743 0.196 7.448 1.00 0.00 O ATOM 750 CB ALA A 46 6.911 -1.910 6.056 1.00 0.00 C ATOM 0 H ALA A 46 5.560 -2.250 4.023 1.00 0.00 H new ATOM 0 HA ALA A 46 4.917 -2.259 6.782 1.00 0.00 H new ATOM 0 HB1 ALA A 46 7.308 -1.664 7.041 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.095 -2.963 5.843 1.00 0.00 H new ATOM 0 HB3 ALA A 46 7.404 -1.296 5.302 1.00 0.00 H new ATOM 756 N GLU A 47 5.364 0.670 5.323 1.00 0.00 N ATOM 757 CA GLU A 47 5.153 2.109 5.436 1.00 0.00 C ATOM 758 C GLU A 47 3.690 2.420 5.749 1.00 0.00 C ATOM 759 O GLU A 47 3.395 3.340 6.515 1.00 0.00 O ATOM 760 CB GLU A 47 5.560 2.785 4.117 1.00 0.00 C ATOM 761 CG GLU A 47 7.096 2.857 4.007 1.00 0.00 C ATOM 762 CD GLU A 47 7.666 3.859 5.020 1.00 0.00 C ATOM 763 OE1 GLU A 47 7.343 5.034 4.913 1.00 0.00 O ATOM 764 OE2 GLU A 47 8.427 3.441 5.879 1.00 0.00 O ATOM 0 H GLU A 47 5.693 0.369 4.406 1.00 0.00 H new ATOM 0 HA GLU A 47 5.765 2.492 6.252 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.154 2.227 3.273 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.137 3.789 4.069 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.525 1.870 4.183 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.380 3.152 2.997 1.00 0.00 H new ATOM 771 N ALA A 48 2.777 1.649 5.153 1.00 0.00 N ATOM 772 CA ALA A 48 1.347 1.850 5.380 1.00 0.00 C ATOM 773 C ALA A 48 1.019 1.581 6.841 1.00 0.00 C ATOM 774 O ALA A 48 0.266 2.330 7.470 1.00 0.00 O ATOM 775 CB ALA A 48 0.531 0.910 4.486 1.00 0.00 C ATOM 0 H ALA A 48 3.002 0.886 4.515 1.00 0.00 H new ATOM 0 HA ALA A 48 1.091 2.881 5.134 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.532 1.070 4.665 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.758 1.115 3.440 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.786 -0.124 4.717 1.00 0.00 H new ATOM 781 N LYS A 49 1.606 0.508 7.374 1.00 0.00 N ATOM 782 CA LYS A 49 1.395 0.138 8.765 1.00 0.00 C ATOM 783 C LYS A 49 1.956 1.229 9.678 1.00 0.00 C ATOM 784 O LYS A 49 1.394 1.510 10.739 1.00 0.00 O ATOM 785 CB LYS A 49 2.086 -1.201 9.058 1.00 0.00 C ATOM 786 CG LYS A 49 1.227 -2.033 10.023 1.00 0.00 C ATOM 787 CD LYS A 49 2.058 -3.194 10.586 1.00 0.00 C ATOM 788 CE LYS A 49 1.148 -4.388 10.891 1.00 0.00 C ATOM 789 NZ LYS A 49 1.914 -5.414 11.657 1.00 0.00 N ATOM 0 H LYS A 49 2.229 -0.116 6.861 1.00 0.00 H new ATOM 0 HA LYS A 49 0.326 0.032 8.952 1.00 0.00 H new ATOM 0 HB2 LYS A 49 2.241 -1.751 8.130 1.00 0.00 H new ATOM 0 HB3 LYS A 49 3.070 -1.025 9.493 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.865 -1.405 10.837 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.350 -2.419 9.504 1.00 0.00 H new ATOM 0 HD2 LYS A 49 2.825 -3.485 9.868 1.00 0.00 H new ATOM 0 HD3 LYS A 49 2.573 -2.877 11.493 1.00 0.00 H new ATOM 0 HE2 LYS A 49 0.282 -4.061 11.466 1.00 0.00 H new ATOM 0 HE3 LYS A 49 0.771 -4.818 9.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 1.297 -6.225 11.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 2.727 -5.733 11.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 2.253 -5.000 12.549 1.00 0.00 H new ATOM 803 N LYS A 50 3.070 1.837 9.247 1.00 0.00 N ATOM 804 CA LYS A 50 3.715 2.904 10.011 1.00 0.00 C ATOM 805 C LYS A 50 2.755 4.078 10.194 1.00 0.00 C ATOM 806 O LYS A 50 2.615 4.609 11.300 1.00 0.00 O ATOM 807 CB LYS A 50 4.974 3.367 9.270 1.00 0.00 C ATOM 808 CG LYS A 50 5.803 4.305 10.160 1.00 0.00 C ATOM 809 CD LYS A 50 7.136 4.629 9.469 1.00 0.00 C ATOM 810 CE LYS A 50 6.926 5.680 8.370 1.00 0.00 C ATOM 811 NZ LYS A 50 8.154 5.768 7.527 1.00 0.00 N ATOM 0 H LYS A 50 3.540 1.605 8.372 1.00 0.00 H new ATOM 0 HA LYS A 50 3.990 2.525 10.995 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.574 2.503 8.983 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.694 3.881 8.350 1.00 0.00 H new ATOM 0 HG2 LYS A 50 5.249 5.224 10.352 1.00 0.00 H new ATOM 0 HG3 LYS A 50 5.988 3.836 11.127 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.853 4.998 10.202 1.00 0.00 H new ATOM 0 HD3 LYS A 50 7.560 3.722 9.038 1.00 0.00 H new ATOM 0 HE2 LYS A 50 6.067 5.412 7.754 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.708 6.650 8.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 7.883 5.873 6.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 8.718 6.591 7.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.718 4.902 7.644 1.00 0.00 H new ATOM 825 N LEU A 51 2.084 4.463 9.100 1.00 0.00 N ATOM 826 CA LEU A 51 1.116 5.560 9.140 1.00 0.00 C ATOM 827 C LEU A 51 -0.025 5.206 10.093 1.00 0.00 C ATOM 828 O LEU A 51 -0.423 6.021 10.928 1.00 0.00 O ATOM 829 CB LEU A 51 0.562 5.817 7.726 1.00 0.00 C ATOM 830 CG LEU A 51 1.665 6.391 6.818 1.00 0.00 C ATOM 831 CD1 LEU A 51 1.118 6.559 5.394 1.00 0.00 C ATOM 832 CD2 LEU A 51 2.132 7.757 7.352 1.00 0.00 C ATOM 0 H LEU A 51 2.195 4.032 8.182 1.00 0.00 H new ATOM 0 HA LEU A 51 1.610 6.464 9.497 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.180 4.888 7.303 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.276 6.513 7.777 1.00 0.00 H new ATOM 0 HG LEU A 51 2.511 5.704 6.808 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.898 6.965 4.750 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.799 5.590 5.010 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.268 7.241 5.409 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.912 8.154 6.703 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.289 8.448 7.371 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.526 7.638 8.361 1.00 0.00 H new ATOM 844 N ASN A 52 -0.527 3.975 9.963 1.00 0.00 N ATOM 845 CA ASN A 52 -1.607 3.485 10.820 1.00 0.00 C ATOM 846 C ASN A 52 -1.187 3.516 12.289 1.00 0.00 C ATOM 847 O ASN A 52 -1.925 4.011 13.142 1.00 0.00 O ATOM 848 CB ASN A 52 -1.971 2.049 10.403 1.00 0.00 C ATOM 849 CG ASN A 52 -2.884 1.380 11.434 1.00 0.00 C ATOM 850 OD1 ASN A 52 -2.415 0.629 12.288 1.00 0.00 O ATOM 851 ND2 ASN A 52 -4.165 1.606 11.402 1.00 0.00 N ATOM 0 H ASN A 52 -0.202 3.300 9.271 1.00 0.00 H new ATOM 0 HA ASN A 52 -2.476 4.132 10.703 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -2.467 2.065 9.433 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -1.061 1.461 10.286 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -4.779 1.161 12.084 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -4.556 2.228 10.695 1.00 0.00 H new ATOM 858 N ASP A 53 -0.001 2.976 12.566 1.00 0.00 N ATOM 859 CA ASP A 53 0.525 2.929 13.931 1.00 0.00 C ATOM 860 C ASP A 53 0.708 4.330 14.507 1.00 0.00 C ATOM 861 O ASP A 53 0.467 4.554 15.697 1.00 0.00 O ATOM 862 CB ASP A 53 1.870 2.195 13.942 1.00 0.00 C ATOM 863 CG ASP A 53 2.356 1.980 15.379 1.00 0.00 C ATOM 864 OD1 ASP A 53 1.927 1.015 15.992 1.00 0.00 O ATOM 865 OD2 ASP A 53 3.146 2.786 15.847 1.00 0.00 O ATOM 0 H ASP A 53 0.614 2.565 11.864 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.197 2.396 14.550 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.770 1.233 13.439 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.609 2.771 13.385 1.00 0.00 H new ATOM 870 N ALA A 54 1.167 5.258 13.665 1.00 0.00 N ATOM 871 CA ALA A 54 1.416 6.625 14.110 1.00 0.00 C ATOM 872 C ALA A 54 0.115 7.409 14.328 1.00 0.00 C ATOM 873 O ALA A 54 -0.077 8.020 15.383 1.00 0.00 O ATOM 874 CB ALA A 54 2.288 7.351 13.080 1.00 0.00 C ATOM 0 H ALA A 54 1.371 5.088 12.680 1.00 0.00 H new ATOM 0 HA ALA A 54 1.932 6.570 15.069 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.473 8.372 13.415 1.00 0.00 H new ATOM 0 HB2 ALA A 54 3.238 6.827 12.973 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.775 7.371 12.119 1.00 0.00 H new ATOM 880 N GLN A 55 -0.762 7.398 13.318 1.00 0.00 N ATOM 881 CA GLN A 55 -2.039 8.125 13.393 1.00 0.00 C ATOM 882 C GLN A 55 -2.974 7.530 14.449 1.00 0.00 C ATOM 883 O GLN A 55 -3.823 8.242 14.994 1.00 0.00 O ATOM 884 CB GLN A 55 -2.739 8.109 12.026 1.00 0.00 C ATOM 885 CG GLN A 55 -1.915 8.899 11.002 1.00 0.00 C ATOM 886 CD GLN A 55 -2.383 8.538 9.599 1.00 0.00 C ATOM 887 OE1 GLN A 55 -2.859 9.394 8.855 1.00 0.00 O ATOM 888 NE2 GLN A 55 -2.278 7.302 9.201 1.00 0.00 N ATOM 0 H GLN A 55 -0.614 6.897 12.442 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.811 9.151 13.682 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -2.867 7.081 11.686 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -3.736 8.542 12.114 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -2.030 9.969 11.173 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -0.855 8.670 11.115 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.882 6.598 9.824 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.592 7.039 8.267 1.00 0.00 H new ATOM 897 N ALA A 56 -2.831 6.227 14.712 1.00 0.00 N ATOM 898 CA ALA A 56 -3.686 5.542 15.687 1.00 0.00 C ATOM 899 C ALA A 56 -3.613 6.214 17.067 1.00 0.00 C ATOM 900 O ALA A 56 -2.572 6.763 17.441 1.00 0.00 O ATOM 901 CB ALA A 56 -3.271 4.071 15.811 1.00 0.00 C ATOM 0 H ALA A 56 -2.136 5.628 14.266 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.714 5.605 15.329 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.912 3.572 16.537 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.371 3.582 14.842 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -2.234 4.012 16.142 1.00 0.00 H new ATOM 907 N PRO A 57 -4.697 6.174 17.824 1.00 0.00 N ATOM 908 CA PRO A 57 -4.759 6.787 19.187 1.00 0.00 C ATOM 909 C PRO A 57 -3.824 6.085 20.173 1.00 0.00 C ATOM 910 O PRO A 57 -3.462 4.923 19.975 1.00 0.00 O ATOM 911 CB PRO A 57 -6.229 6.634 19.604 1.00 0.00 C ATOM 912 CG PRO A 57 -6.774 5.529 18.761 1.00 0.00 C ATOM 913 CD PRO A 57 -5.977 5.536 17.462 1.00 0.00 C ATOM 0 HA PRO A 57 -4.432 7.827 19.182 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -6.313 6.396 20.664 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -6.781 7.560 19.441 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -6.677 4.570 19.270 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -7.836 5.679 18.565 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -5.825 4.525 17.083 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -6.493 6.095 16.681 1.00 0.00 H new ATOM 921 N LYS A 58 -3.443 6.816 21.225 1.00 0.00 N ATOM 922 CA LYS A 58 -2.541 6.302 22.274 1.00 0.00 C ATOM 923 C LYS A 58 -1.128 6.008 21.729 1.00 0.00 C ATOM 924 O LYS A 58 -0.273 5.644 22.524 1.00 0.00 O ATOM 925 CB LYS A 58 -3.133 5.030 22.920 1.00 0.00 C ATOM 926 CG LYS A 58 -4.500 5.348 23.551 1.00 0.00 C ATOM 927 CD LYS A 58 -5.003 4.141 24.363 1.00 0.00 C ATOM 928 CE LYS A 58 -5.390 2.991 23.422 1.00 0.00 C ATOM 929 NZ LYS A 58 -5.837 1.821 24.232 1.00 0.00 N ATOM 930 OXT LYS A 58 -0.910 6.161 20.535 1.00 0.00 O ATOM 0 H LYS A 58 -3.747 7.778 21.378 1.00 0.00 H new ATOM 0 HA LYS A 58 -2.449 7.082 23.030 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -3.243 4.248 22.169 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -2.452 4.648 23.681 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -4.416 6.221 24.198 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -5.220 5.597 22.771 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -4.227 3.810 25.054 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -5.863 4.432 24.966 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -6.187 3.308 22.750 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -4.540 2.713 22.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -6.100 1.040 23.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -5.063 1.515 24.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -6.660 2.091 24.808 1.00 0.00 H new TER 944 LYS A 58