USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=45 USER MOD reduce.3.24.130724 removed 743 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 103 ASN : amide:sc= 0.392 K(o=0.29,f=-1.9!) USER MOD Set 1.2: A 104 TYR OH : rot -22:sc= -0.106 USER MOD Set 2.1: A 43 GLN : amide:sc= -2.45! C(o=-2.4!,f=-7.6!) USER MOD Set 2.2: A 88 THR OG1 : rot 140:sc= 0.0689 USER MOD Set 3.1: A 69 CYS SG : rot 30:sc= 2.24 USER MOD Set 3.2: A 105 CYS SG : rot 59:sc= 1.35 USER MOD Set 4.1: A 11 LYS NZ :NH3+ -167:sc= 1.14 (180deg=0) USER MOD Set 4.2: A 14 GLN : amide:sc= -0.382! C(o=0.76!,f=-5.5!) USER MOD Set 5.1: A 12 CYS SG : rot -73:sc= -5.21! USER MOD Set 5.2: A 50 CYS SG : rot -78:sc= -2.82! USER MOD Single : A 1 ALA N :NH3+ -164:sc=-0.00209 (180deg=-0.399) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc= -2.01! C(o=-2!,f=-9!) USER MOD Single : A 17 LYS NZ :NH3+ 132:sc= 0.129 (180deg=-0.624) USER MOD Single : A 19 SER OG : rot -150:sc= -1.44 USER MOD Single : A 20 CYS SG : rot -81:sc= -1.54 USER MOD Single : A 21 ASN : amide:sc= 1.18 K(o=1.2,f=-0.099) USER MOD Single : A 22 SER OG : rot 68:sc= 0.249 USER MOD Single : A 26 SER OG : rot 160:sc= -1.03 USER MOD Single : A 27 TYR OH : rot 180:sc= 0.178 USER MOD Single : A 28 CYS SG : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot -138:sc= 1.28 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 178:sc= 1.15 (180deg=1.15) USER MOD Single : A 40 ASN : amide:sc= 0.28 K(o=0.28,f=-4.1!) USER MOD Single : A 41 SER OG : rot 180:sc= 0.00121 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN :FLIP amide:sc= -0.0783 F(o=-0.81,f=-0.078) USER MOD Single : A 45 THR OG1 : rot 11:sc= 1.06 USER MOD Single : A 46 LYS NZ :NH3+ -157:sc= 1.21 (180deg=0.559) USER MOD Single : A 51 TYR OH : rot -168:sc= -3.37! USER MOD Single : A 54 LYS NZ :NH3+ -163:sc= -0.0166 (180deg=-0.171) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 29:sc= 0.0961 USER MOD Single : A 65 CYS SG : rot 85:sc= -0.589! USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 176:sc= 0 (180deg=-0.0141) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 43:sc= 0.053 USER MOD Single : A 75 CYS SG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot -110:sc= 1.05 USER MOD Single : A 80 SER OG : rot 180:sc= 0.208 USER MOD Single : A 83 SER OG : rot 8:sc= -3! USER MOD Single : A 84 THR OG1 : rot 50:sc= 1.24 USER MOD Single : A 85 SER OG : rot 104:sc= -4.24! USER MOD Single : A 86 HIS : no HE2:sc= 1.01 K(o=1,f=-3.2!) USER MOD Single : A 91 SER OG : rot 180:sc= 0.141 USER MOD Single : A 94 GLN :FLIP amide:sc= -2.32! C(o=-3.4!,f=-2.3!) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00268) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -1.734 11.126 -7.330 1.00 0.54 N ATOM 2 CA ALA A 1 -2.617 10.086 -6.763 1.00 0.39 C ATOM 3 C ALA A 1 -4.075 10.518 -6.788 1.00 0.35 C ATOM 4 O ALA A 1 -4.412 11.646 -6.431 1.00 0.37 O ATOM 5 CB ALA A 1 -2.209 9.743 -5.347 1.00 0.28 C ATOM 0 H1 ALA A 1 -0.806 10.711 -7.549 1.00 0.54 H new ATOM 0 H2 ALA A 1 -2.158 11.505 -8.201 1.00 0.54 H new ATOM 0 H3 ALA A 1 -1.615 11.895 -6.640 1.00 0.54 H new ATOM 0 HA ALA A 1 -2.511 9.199 -7.387 1.00 0.39 H new ATOM 0 HB1 ALA A 1 -2.875 8.975 -4.952 1.00 0.28 H new ATOM 0 HB2 ALA A 1 -1.184 9.372 -5.343 1.00 0.28 H new ATOM 0 HB3 ALA A 1 -2.274 10.635 -4.724 1.00 0.28 H new ATOM 13 N PRO A 2 -4.948 9.613 -7.233 1.00 0.34 N ATOM 14 CA PRO A 2 -6.387 9.824 -7.299 1.00 0.34 C ATOM 15 C PRO A 2 -7.086 9.549 -5.989 1.00 0.28 C ATOM 16 O PRO A 2 -8.107 10.162 -5.672 1.00 0.28 O ATOM 17 CB PRO A 2 -6.859 8.790 -8.307 1.00 0.39 C ATOM 18 CG PRO A 2 -5.626 8.131 -8.830 1.00 0.45 C ATOM 19 CD PRO A 2 -4.595 8.311 -7.764 1.00 0.39 C ATOM 0 HA PRO A 2 -6.608 10.860 -7.555 1.00 0.34 H new ATOM 0 HB2 PRO A 2 -7.521 8.062 -7.838 1.00 0.39 H new ATOM 0 HB3 PRO A 2 -7.422 9.260 -9.113 1.00 0.39 H new ATOM 0 HG2 PRO A 2 -5.801 7.074 -9.032 1.00 0.45 H new ATOM 0 HG3 PRO A 2 -5.305 8.586 -9.767 1.00 0.45 H new ATOM 0 HD2 PRO A 2 -4.650 7.531 -7.005 1.00 0.39 H new ATOM 0 HD3 PRO A 2 -3.582 8.294 -8.167 1.00 0.39 H new ATOM 27 N THR A 3 -6.557 8.588 -5.251 1.00 0.27 N ATOM 28 CA THR A 3 -7.165 8.176 -4.010 1.00 0.24 C ATOM 29 C THR A 3 -6.122 8.072 -2.910 1.00 0.19 C ATOM 30 O THR A 3 -4.924 8.197 -3.183 1.00 0.19 O ATOM 31 CB THR A 3 -7.898 6.836 -4.160 1.00 0.31 C ATOM 32 OG1 THR A 3 -6.967 5.802 -4.513 1.00 0.34 O ATOM 33 CG2 THR A 3 -8.984 6.933 -5.224 1.00 0.37 C ATOM 0 H THR A 3 -5.706 8.081 -5.495 1.00 0.27 H new ATOM 0 HA THR A 3 -7.896 8.937 -3.738 1.00 0.24 H new ATOM 0 HB THR A 3 -8.364 6.592 -3.205 1.00 0.31 H new ATOM 0 HG1 THR A 3 -7.443 4.950 -4.605 1.00 0.34 H new ATOM 0 HG21 THR A 3 -9.491 5.973 -5.315 1.00 0.37 H new ATOM 0 HG22 THR A 3 -9.705 7.699 -4.939 1.00 0.37 H new ATOM 0 HG23 THR A 3 -8.533 7.197 -6.181 1.00 0.37 H new ATOM 41 N LEU A 4 -6.557 7.839 -1.685 1.00 0.16 N ATOM 42 CA LEU A 4 -5.656 7.890 -0.548 1.00 0.15 C ATOM 43 C LEU A 4 -4.607 6.767 -0.614 1.00 0.18 C ATOM 44 O LEU A 4 -3.450 6.953 -0.228 1.00 0.24 O ATOM 45 CB LEU A 4 -6.456 7.850 0.756 1.00 0.13 C ATOM 46 CG LEU A 4 -5.617 7.907 2.022 1.00 0.12 C ATOM 47 CD1 LEU A 4 -5.006 9.287 2.153 1.00 0.09 C ATOM 48 CD2 LEU A 4 -6.458 7.571 3.241 1.00 0.15 C ATOM 0 H LEU A 4 -7.524 7.614 -1.452 1.00 0.16 H new ATOM 0 HA LEU A 4 -5.107 8.831 -0.579 1.00 0.15 H new ATOM 0 HB2 LEU A 4 -7.155 8.686 0.763 1.00 0.13 H new ATOM 0 HB3 LEU A 4 -7.051 6.937 0.773 1.00 0.13 H new ATOM 0 HG LEU A 4 -4.820 7.167 1.958 1.00 0.12 H new ATOM 0 HD11 LEU A 4 -4.403 9.333 3.060 1.00 0.09 H new ATOM 0 HD12 LEU A 4 -4.376 9.489 1.287 1.00 0.09 H new ATOM 0 HD13 LEU A 4 -5.799 10.033 2.206 1.00 0.09 H new ATOM 0 HD21 LEU A 4 -5.837 7.618 4.136 1.00 0.15 H new ATOM 0 HD22 LEU A 4 -7.275 8.287 3.328 1.00 0.15 H new ATOM 0 HD23 LEU A 4 -6.867 6.566 3.135 1.00 0.15 H new ATOM 60 N GLN A 5 -5.005 5.622 -1.154 1.00 0.17 N ATOM 61 CA GLN A 5 -4.095 4.493 -1.350 1.00 0.22 C ATOM 62 C GLN A 5 -2.979 4.832 -2.335 1.00 0.22 C ATOM 63 O GLN A 5 -1.817 4.548 -2.070 1.00 0.25 O ATOM 64 CB GLN A 5 -4.893 3.295 -1.827 1.00 0.29 C ATOM 65 CG GLN A 5 -4.069 2.076 -2.207 1.00 0.55 C ATOM 66 CD GLN A 5 -3.127 1.602 -1.121 1.00 0.67 C ATOM 67 OE1 GLN A 5 -3.532 0.901 -0.203 1.00 1.58 O ATOM 68 NE2 GLN A 5 -1.853 1.909 -1.258 1.00 0.73 N ATOM 0 H GLN A 5 -5.960 5.447 -1.467 1.00 0.17 H new ATOM 0 HA GLN A 5 -3.615 4.259 -0.400 1.00 0.22 H new ATOM 0 HB2 GLN A 5 -5.593 3.010 -1.042 1.00 0.29 H new ATOM 0 HB3 GLN A 5 -5.487 3.595 -2.690 1.00 0.29 H new ATOM 0 HG2 GLN A 5 -4.745 1.261 -2.468 1.00 0.55 H new ATOM 0 HG3 GLN A 5 -3.489 2.307 -3.100 1.00 0.55 H new ATOM 0 HE21 GLN A 5 -1.551 2.496 -2.035 1.00 0.73 H new ATOM 0 HE22 GLN A 5 -1.169 1.560 -0.587 1.00 0.73 H new ATOM 77 N GLU A 6 -3.308 5.457 -3.461 1.00 0.23 N ATOM 78 CA GLU A 6 -2.262 5.821 -4.410 1.00 0.24 C ATOM 79 C GLU A 6 -1.429 6.964 -3.847 1.00 0.23 C ATOM 80 O GLU A 6 -0.287 7.162 -4.242 1.00 0.24 O ATOM 81 CB GLU A 6 -2.811 6.179 -5.797 1.00 0.30 C ATOM 82 CG GLU A 6 -1.704 6.451 -6.798 1.00 0.34 C ATOM 83 CD GLU A 6 -2.156 6.537 -8.237 1.00 0.95 C ATOM 84 OE1 GLU A 6 -2.808 5.581 -8.706 1.00 1.11 O ATOM 85 OE2 GLU A 6 -1.886 7.559 -8.898 1.00 1.70 O ATOM 0 H GLU A 6 -4.257 5.715 -3.733 1.00 0.23 H new ATOM 0 HA GLU A 6 -1.631 4.943 -4.549 1.00 0.24 H new ATOM 0 HB2 GLU A 6 -3.435 5.363 -6.161 1.00 0.30 H new ATOM 0 HB3 GLU A 6 -3.451 7.058 -5.717 1.00 0.30 H new ATOM 0 HG2 GLU A 6 -1.213 7.387 -6.530 1.00 0.34 H new ATOM 0 HG3 GLU A 6 -0.956 5.663 -6.714 1.00 0.34 H new ATOM 92 N ALA A 7 -2.001 7.712 -2.910 1.00 0.22 N ATOM 93 CA ALA A 7 -1.254 8.742 -2.207 1.00 0.22 C ATOM 94 C ALA A 7 -0.192 8.094 -1.342 1.00 0.19 C ATOM 95 O ALA A 7 0.864 8.670 -1.081 1.00 0.19 O ATOM 96 CB ALA A 7 -2.187 9.589 -1.369 1.00 0.24 C ATOM 0 H ALA A 7 -2.976 7.623 -2.622 1.00 0.22 H new ATOM 0 HA ALA A 7 -0.768 9.394 -2.932 1.00 0.22 H new ATOM 0 HB1 ALA A 7 -1.613 10.356 -0.848 1.00 0.24 H new ATOM 0 HB2 ALA A 7 -2.926 10.064 -2.015 1.00 0.24 H new ATOM 0 HB3 ALA A 7 -2.695 8.958 -0.640 1.00 0.24 H new ATOM 102 N LEU A 8 -0.477 6.880 -0.915 1.00 0.17 N ATOM 103 CA LEU A 8 0.495 6.085 -0.206 1.00 0.15 C ATOM 104 C LEU A 8 1.554 5.578 -1.157 1.00 0.15 C ATOM 105 O LEU A 8 2.739 5.633 -0.858 1.00 0.16 O ATOM 106 CB LEU A 8 -0.161 4.915 0.472 1.00 0.15 C ATOM 107 CG LEU A 8 -1.048 5.255 1.642 1.00 0.12 C ATOM 108 CD1 LEU A 8 -1.293 4.011 2.448 1.00 0.15 C ATOM 109 CD2 LEU A 8 -0.423 6.327 2.500 1.00 0.12 C ATOM 0 H LEU A 8 -1.380 6.424 -1.050 1.00 0.17 H new ATOM 0 HA LEU A 8 0.957 6.720 0.550 1.00 0.15 H new ATOM 0 HB2 LEU A 8 -0.754 4.376 -0.266 1.00 0.15 H new ATOM 0 HB3 LEU A 8 0.617 4.233 0.815 1.00 0.15 H new ATOM 0 HG LEU A 8 -1.997 5.643 1.270 1.00 0.12 H new ATOM 0 HD11 LEU A 8 -1.934 4.248 3.297 1.00 0.15 H new ATOM 0 HD12 LEU A 8 -1.780 3.263 1.823 1.00 0.15 H new ATOM 0 HD13 LEU A 8 -0.343 3.619 2.810 1.00 0.15 H new ATOM 0 HD21 LEU A 8 -1.083 6.554 3.337 1.00 0.12 H new ATOM 0 HD22 LEU A 8 0.537 5.976 2.879 1.00 0.12 H new ATOM 0 HD23 LEU A 8 -0.270 7.227 1.904 1.00 0.12 H new ATOM 121 N ASP A 9 1.108 5.082 -2.304 1.00 0.15 N ATOM 122 CA ASP A 9 2.003 4.647 -3.371 1.00 0.15 C ATOM 123 C ASP A 9 2.879 5.814 -3.806 1.00 0.15 C ATOM 124 O ASP A 9 3.984 5.638 -4.314 1.00 0.15 O ATOM 125 CB ASP A 9 1.194 4.150 -4.581 1.00 0.20 C ATOM 126 CG ASP A 9 0.255 3.000 -4.258 1.00 0.97 C ATOM 127 OD1 ASP A 9 0.380 2.420 -3.157 1.00 1.34 O ATOM 128 OD2 ASP A 9 -0.606 2.668 -5.095 1.00 1.61 O ATOM 0 H ASP A 9 0.118 4.970 -2.522 1.00 0.15 H new ATOM 0 HA ASP A 9 2.623 3.832 -2.996 1.00 0.15 H new ATOM 0 HB2 ASP A 9 0.613 4.980 -4.984 1.00 0.20 H new ATOM 0 HB3 ASP A 9 1.884 3.835 -5.364 1.00 0.20 H new ATOM 133 N ARG A 10 2.356 7.006 -3.578 1.00 0.17 N ATOM 134 CA ARG A 10 3.004 8.251 -3.926 1.00 0.20 C ATOM 135 C ARG A 10 4.057 8.593 -2.878 1.00 0.19 C ATOM 136 O ARG A 10 5.105 9.152 -3.188 1.00 0.24 O ATOM 137 CB ARG A 10 1.906 9.307 -3.988 1.00 0.25 C ATOM 138 CG ARG A 10 2.261 10.595 -4.684 1.00 0.67 C ATOM 139 CD ARG A 10 0.981 11.295 -5.077 1.00 0.64 C ATOM 140 NE ARG A 10 1.203 12.589 -5.720 1.00 1.02 N ATOM 141 CZ ARG A 10 0.630 13.721 -5.311 1.00 1.80 C ATOM 142 NH1 ARG A 10 -0.100 13.732 -4.202 1.00 2.60 N ATOM 143 NH2 ARG A 10 0.810 14.846 -5.991 1.00 2.10 N ATOM 0 H ARG A 10 1.446 7.134 -3.135 1.00 0.17 H new ATOM 0 HA ARG A 10 3.520 8.191 -4.884 1.00 0.20 H new ATOM 0 HB2 ARG A 10 1.041 8.873 -4.490 1.00 0.25 H new ATOM 0 HB3 ARG A 10 1.598 9.542 -2.969 1.00 0.25 H new ATOM 0 HG2 ARG A 10 2.854 11.230 -4.026 1.00 0.67 H new ATOM 0 HG3 ARG A 10 2.869 10.394 -5.566 1.00 0.67 H new ATOM 0 HD2 ARG A 10 0.417 10.653 -5.754 1.00 0.64 H new ATOM 0 HD3 ARG A 10 0.367 11.439 -4.188 1.00 0.64 H new ATOM 0 HE ARG A 10 1.829 12.628 -6.524 1.00 1.02 H new ATOM 0 HH11 ARG A 10 -0.222 12.874 -3.663 1.00 2.60 H new ATOM 0 HH12 ARG A 10 -0.539 14.598 -3.889 1.00 2.60 H new ATOM 0 HH21 ARG A 10 1.389 14.847 -6.831 1.00 2.10 H new ATOM 0 HH22 ARG A 10 0.369 15.710 -5.674 1.00 2.10 H new ATOM 157 N LYS A 11 3.772 8.224 -1.633 1.00 0.18 N ATOM 158 CA LYS A 11 4.728 8.360 -0.551 1.00 0.21 C ATOM 159 C LYS A 11 5.781 7.270 -0.695 1.00 0.18 C ATOM 160 O LYS A 11 6.968 7.477 -0.456 1.00 0.18 O ATOM 161 CB LYS A 11 4.023 8.243 0.792 1.00 0.26 C ATOM 162 CG LYS A 11 4.887 8.683 1.950 1.00 0.42 C ATOM 163 CD LYS A 11 5.512 10.029 1.681 1.00 0.52 C ATOM 164 CE LYS A 11 4.459 11.099 1.517 1.00 0.59 C ATOM 165 NZ LYS A 11 5.043 12.463 1.412 1.00 0.99 N ATOM 0 H LYS A 11 2.876 7.825 -1.352 1.00 0.18 H new ATOM 0 HA LYS A 11 5.204 9.339 -0.598 1.00 0.21 H new ATOM 0 HB2 LYS A 11 3.115 8.845 0.774 1.00 0.26 H new ATOM 0 HB3 LYS A 11 3.716 7.209 0.947 1.00 0.26 H new ATOM 0 HG2 LYS A 11 4.286 8.733 2.858 1.00 0.42 H new ATOM 0 HG3 LYS A 11 5.669 7.944 2.126 1.00 0.42 H new ATOM 0 HD2 LYS A 11 6.178 10.294 2.502 1.00 0.52 H new ATOM 0 HD3 LYS A 11 6.123 9.975 0.780 1.00 0.52 H new ATOM 0 HE2 LYS A 11 3.870 10.890 0.624 1.00 0.59 H new ATOM 0 HE3 LYS A 11 3.776 11.064 2.365 1.00 0.59 H new ATOM 0 HZ1 LYS A 11 4.290 13.172 1.522 1.00 0.99 H new ATOM 0 HZ2 LYS A 11 5.755 12.594 2.159 1.00 0.99 H new ATOM 0 HZ3 LYS A 11 5.493 12.577 0.481 1.00 0.99 H new ATOM 179 N CYS A 12 5.303 6.109 -1.104 1.00 0.16 N ATOM 180 CA CYS A 12 6.136 4.967 -1.434 1.00 0.14 C ATOM 181 C CYS A 12 7.062 5.279 -2.595 1.00 0.14 C ATOM 182 O CYS A 12 8.200 4.815 -2.635 1.00 0.14 O ATOM 183 CB CYS A 12 5.225 3.790 -1.762 1.00 0.13 C ATOM 184 SG CYS A 12 4.320 3.182 -0.329 1.00 0.15 S ATOM 0 H CYS A 12 4.305 5.930 -1.218 1.00 0.16 H new ATOM 0 HA CYS A 12 6.770 4.718 -0.583 1.00 0.14 H new ATOM 0 HB2 CYS A 12 4.515 4.091 -2.533 1.00 0.13 H new ATOM 0 HB3 CYS A 12 5.823 2.979 -2.178 1.00 0.13 H new ATOM 0 HG CYS A 12 5.134 2.545 0.460 1.00 0.15 H new ATOM 190 N ALA A 13 6.579 6.088 -3.523 1.00 0.17 N ATOM 191 CA ALA A 13 7.363 6.481 -4.682 1.00 0.20 C ATOM 192 C ALA A 13 8.453 7.447 -4.260 1.00 0.21 C ATOM 193 O ALA A 13 9.431 7.657 -4.974 1.00 0.28 O ATOM 194 CB ALA A 13 6.456 7.109 -5.726 1.00 0.25 C ATOM 0 H ALA A 13 5.641 6.488 -3.496 1.00 0.17 H new ATOM 0 HA ALA A 13 7.834 5.601 -5.120 1.00 0.20 H new ATOM 0 HB1 ALA A 13 7.048 7.402 -6.593 1.00 0.25 H new ATOM 0 HB2 ALA A 13 5.698 6.387 -6.031 1.00 0.25 H new ATOM 0 HB3 ALA A 13 5.970 7.989 -5.304 1.00 0.25 H new ATOM 200 N GLN A 14 8.274 8.028 -3.089 1.00 0.20 N ATOM 201 CA GLN A 14 9.272 8.892 -2.509 1.00 0.23 C ATOM 202 C GLN A 14 10.385 8.067 -1.892 1.00 0.26 C ATOM 203 O GLN A 14 11.538 8.178 -2.286 1.00 0.43 O ATOM 204 CB GLN A 14 8.645 9.799 -1.465 1.00 0.24 C ATOM 205 CG GLN A 14 7.763 10.864 -2.070 1.00 0.26 C ATOM 206 CD GLN A 14 7.294 11.885 -1.051 1.00 0.32 C ATOM 207 OE1 GLN A 14 6.192 12.423 -1.150 1.00 0.87 O ATOM 208 NE2 GLN A 14 8.133 12.166 -0.062 1.00 1.07 N ATOM 0 H GLN A 14 7.436 7.912 -2.519 1.00 0.20 H new ATOM 0 HA GLN A 14 9.695 9.514 -3.298 1.00 0.23 H new ATOM 0 HB2 GLN A 14 8.057 9.196 -0.773 1.00 0.24 H new ATOM 0 HB3 GLN A 14 9.434 10.275 -0.882 1.00 0.24 H new ATOM 0 HG2 GLN A 14 8.309 11.374 -2.864 1.00 0.26 H new ATOM 0 HG3 GLN A 14 6.895 10.392 -2.531 1.00 0.26 H new ATOM 0 HE21 GLN A 14 9.039 11.699 -0.013 1.00 1.07 H new ATOM 0 HE22 GLN A 14 7.872 12.849 0.649 1.00 1.07 H new ATOM 217 N PHE A 15 10.009 7.214 -0.950 1.00 0.20 N ATOM 218 CA PHE A 15 10.965 6.400 -0.198 1.00 0.20 C ATOM 219 C PHE A 15 11.598 5.332 -1.071 1.00 0.19 C ATOM 220 O PHE A 15 12.818 5.182 -1.098 1.00 0.24 O ATOM 221 CB PHE A 15 10.273 5.716 0.977 1.00 0.21 C ATOM 222 CG PHE A 15 9.518 6.651 1.854 1.00 0.23 C ATOM 223 CD1 PHE A 15 10.106 7.813 2.319 1.00 0.36 C ATOM 224 CD2 PHE A 15 8.215 6.372 2.203 1.00 0.18 C ATOM 225 CE1 PHE A 15 9.400 8.680 3.118 1.00 0.42 C ATOM 226 CE2 PHE A 15 7.505 7.232 2.997 1.00 0.24 C ATOM 227 CZ PHE A 15 8.098 8.386 3.455 1.00 0.33 C ATOM 0 H PHE A 15 9.036 7.064 -0.683 1.00 0.20 H new ATOM 0 HA PHE A 15 11.744 7.073 0.162 1.00 0.20 H new ATOM 0 HB2 PHE A 15 9.589 4.959 0.594 1.00 0.21 H new ATOM 0 HB3 PHE A 15 11.021 5.196 1.575 1.00 0.21 H new ATOM 0 HD1 PHE A 15 11.127 8.041 2.052 1.00 0.36 H new ATOM 0 HD2 PHE A 15 7.749 5.465 1.847 1.00 0.18 H new ATOM 0 HE1 PHE A 15 9.864 9.586 3.479 1.00 0.42 H new ATOM 0 HE2 PHE A 15 6.483 7.005 3.263 1.00 0.24 H new ATOM 0 HZ PHE A 15 7.539 9.065 4.082 1.00 0.33 H new ATOM 237 N GLY A 16 10.753 4.584 -1.770 1.00 0.15 N ATOM 238 CA GLY A 16 11.217 3.504 -2.608 1.00 0.15 C ATOM 239 C GLY A 16 12.308 3.949 -3.544 1.00 0.15 C ATOM 240 O GLY A 16 13.427 3.455 -3.503 1.00 0.18 O ATOM 0 H GLY A 16 9.741 4.712 -1.768 1.00 0.15 H new ATOM 0 HA2 GLY A 16 11.585 2.691 -1.982 1.00 0.15 H new ATOM 0 HA3 GLY A 16 10.382 3.108 -3.186 1.00 0.15 H new ATOM 244 N LYS A 17 11.994 4.930 -4.354 1.00 0.18 N ATOM 245 CA LYS A 17 12.900 5.362 -5.386 1.00 0.23 C ATOM 246 C LYS A 17 14.002 6.226 -4.788 1.00 0.28 C ATOM 247 O LYS A 17 15.035 6.441 -5.404 1.00 0.34 O ATOM 248 CB LYS A 17 12.128 6.112 -6.445 1.00 0.28 C ATOM 249 CG LYS A 17 10.770 5.500 -6.735 1.00 0.28 C ATOM 250 CD LYS A 17 10.854 4.133 -7.402 1.00 0.27 C ATOM 251 CE LYS A 17 9.463 3.639 -7.759 1.00 0.90 C ATOM 252 NZ LYS A 17 8.749 4.573 -8.678 1.00 1.24 N ATOM 0 H LYS A 17 11.114 5.445 -4.317 1.00 0.18 H new ATOM 0 HA LYS A 17 13.373 4.496 -5.849 1.00 0.23 H new ATOM 0 HB2 LYS A 17 11.994 7.145 -6.125 1.00 0.28 H new ATOM 0 HB3 LYS A 17 12.713 6.136 -7.364 1.00 0.28 H new ATOM 0 HG2 LYS A 17 10.214 5.407 -5.802 1.00 0.28 H new ATOM 0 HG3 LYS A 17 10.205 6.175 -7.377 1.00 0.28 H new ATOM 0 HD2 LYS A 17 11.468 4.196 -8.301 1.00 0.27 H new ATOM 0 HD3 LYS A 17 11.340 3.423 -6.733 1.00 0.27 H new ATOM 0 HE2 LYS A 17 9.538 2.658 -8.228 1.00 0.90 H new ATOM 0 HE3 LYS A 17 8.879 3.513 -6.847 1.00 0.90 H new ATOM 0 HZ1 LYS A 17 8.336 4.036 -9.467 1.00 1.24 H new ATOM 0 HZ2 LYS A 17 7.992 5.061 -8.158 1.00 1.24 H new ATOM 0 HZ3 LYS A 17 9.421 5.274 -9.051 1.00 1.24 H new ATOM 266 N GLU A 18 13.758 6.732 -3.589 1.00 0.27 N ATOM 267 CA GLU A 18 14.818 7.336 -2.780 1.00 0.34 C ATOM 268 C GLU A 18 15.924 6.313 -2.539 1.00 0.35 C ATOM 269 O GLU A 18 17.109 6.617 -2.676 1.00 0.43 O ATOM 270 CB GLU A 18 14.246 7.840 -1.454 1.00 0.36 C ATOM 271 CG GLU A 18 15.279 8.105 -0.375 1.00 0.53 C ATOM 272 CD GLU A 18 14.645 8.329 0.982 1.00 1.01 C ATOM 273 OE1 GLU A 18 14.211 9.467 1.262 1.00 1.47 O ATOM 274 OE2 GLU A 18 14.582 7.367 1.780 1.00 1.55 O ATOM 0 H GLU A 18 12.837 6.739 -3.150 1.00 0.27 H new ATOM 0 HA GLU A 18 15.240 8.188 -3.314 1.00 0.34 H new ATOM 0 HB2 GLU A 18 13.691 8.760 -1.640 1.00 0.36 H new ATOM 0 HB3 GLU A 18 13.531 7.107 -1.081 1.00 0.36 H new ATOM 0 HG2 GLU A 18 15.967 7.261 -0.318 1.00 0.53 H new ATOM 0 HG3 GLU A 18 15.870 8.980 -0.647 1.00 0.53 H new ATOM 281 N SER A 19 15.525 5.093 -2.201 1.00 0.30 N ATOM 282 CA SER A 19 16.459 3.985 -2.086 1.00 0.32 C ATOM 283 C SER A 19 17.093 3.695 -3.435 1.00 0.33 C ATOM 284 O SER A 19 18.292 3.426 -3.530 1.00 0.40 O ATOM 285 CB SER A 19 15.740 2.756 -1.563 1.00 0.29 C ATOM 286 OG SER A 19 15.088 3.037 -0.339 1.00 0.30 O ATOM 0 H SER A 19 14.555 4.847 -2.001 1.00 0.30 H new ATOM 0 HA SER A 19 17.248 4.255 -1.383 1.00 0.32 H new ATOM 0 HB2 SER A 19 15.011 2.415 -2.298 1.00 0.29 H new ATOM 0 HB3 SER A 19 16.454 1.944 -1.422 1.00 0.29 H new ATOM 0 HG SER A 19 15.051 2.223 0.206 1.00 0.30 H new ATOM 292 N CYS A 20 16.282 3.772 -4.476 1.00 0.30 N ATOM 293 CA CYS A 20 16.766 3.625 -5.837 1.00 0.33 C ATOM 294 C CYS A 20 17.816 4.696 -6.148 1.00 0.39 C ATOM 295 O CYS A 20 18.780 4.445 -6.870 1.00 0.43 O ATOM 296 CB CYS A 20 15.586 3.696 -6.811 1.00 0.32 C ATOM 297 SG CYS A 20 15.882 4.676 -8.304 1.00 1.08 S ATOM 0 H CYS A 20 15.278 3.937 -4.403 1.00 0.30 H new ATOM 0 HA CYS A 20 17.246 2.653 -5.950 1.00 0.33 H new ATOM 0 HB2 CYS A 20 15.318 2.682 -7.108 1.00 0.32 H new ATOM 0 HB3 CYS A 20 14.726 4.112 -6.286 1.00 0.32 H new ATOM 0 HG CYS A 20 15.720 5.937 -8.034 1.00 1.08 H new ATOM 303 N ASN A 21 17.628 5.882 -5.578 1.00 0.44 N ATOM 304 CA ASN A 21 18.588 6.968 -5.723 1.00 0.52 C ATOM 305 C ASN A 21 19.862 6.667 -4.946 1.00 0.58 C ATOM 306 O ASN A 21 20.962 6.933 -5.427 1.00 0.69 O ATOM 307 CB ASN A 21 17.988 8.297 -5.263 1.00 0.55 C ATOM 308 CG ASN A 21 17.232 9.008 -6.372 1.00 0.56 C ATOM 309 OD1 ASN A 21 17.809 9.784 -7.131 1.00 0.83 O ATOM 310 ND2 ASN A 21 15.937 8.753 -6.475 1.00 0.58 N ATOM 0 H ASN A 21 16.814 6.115 -5.009 1.00 0.44 H new ATOM 0 HA ASN A 21 18.837 7.054 -6.781 1.00 0.52 H new ATOM 0 HB2 ASN A 21 17.314 8.117 -4.425 1.00 0.55 H new ATOM 0 HB3 ASN A 21 18.785 8.945 -4.898 1.00 0.55 H new ATOM 0 HD21 ASN A 21 15.384 9.207 -7.202 1.00 0.58 H new ATOM 0 HD22 ASN A 21 15.492 8.103 -5.827 1.00 0.58 H new ATOM 317 N SER A 22 19.708 6.090 -3.753 1.00 0.55 N ATOM 318 CA SER A 22 20.847 5.678 -2.936 1.00 0.63 C ATOM 319 C SER A 22 21.702 4.653 -3.678 1.00 0.63 C ATOM 320 O SER A 22 22.909 4.561 -3.459 1.00 0.76 O ATOM 321 CB SER A 22 20.370 5.085 -1.611 1.00 0.67 C ATOM 322 OG SER A 22 19.560 6.001 -0.894 1.00 1.28 O ATOM 0 H SER A 22 18.800 5.897 -3.331 1.00 0.55 H new ATOM 0 HA SER A 22 21.452 6.562 -2.734 1.00 0.63 H new ATOM 0 HB2 SER A 22 19.807 4.171 -1.802 1.00 0.67 H new ATOM 0 HB3 SER A 22 21.232 4.807 -1.004 1.00 0.67 H new ATOM 0 HG SER A 22 18.718 6.139 -1.375 1.00 1.28 H new ATOM 328 N GLY A 23 21.072 3.886 -4.559 1.00 0.52 N ATOM 329 CA GLY A 23 21.804 2.908 -5.336 1.00 0.57 C ATOM 330 C GLY A 23 21.060 1.602 -5.480 1.00 0.50 C ATOM 331 O GLY A 23 21.545 0.676 -6.131 1.00 0.57 O ATOM 0 H GLY A 23 20.070 3.924 -4.748 1.00 0.52 H new ATOM 0 HA2 GLY A 23 22.008 3.316 -6.326 1.00 0.57 H new ATOM 0 HA3 GLY A 23 22.768 2.722 -4.863 1.00 0.57 H new ATOM 335 N LEU A 24 19.884 1.521 -4.871 1.00 0.41 N ATOM 336 CA LEU A 24 19.078 0.314 -4.935 1.00 0.35 C ATOM 337 C LEU A 24 18.561 0.080 -6.339 1.00 0.37 C ATOM 338 O LEU A 24 17.760 0.852 -6.867 1.00 0.53 O ATOM 339 CB LEU A 24 17.921 0.392 -3.946 1.00 0.30 C ATOM 340 CG LEU A 24 18.114 -0.407 -2.659 1.00 0.38 C ATOM 341 CD1 LEU A 24 17.704 -1.851 -2.857 1.00 0.44 C ATOM 342 CD2 LEU A 24 19.558 -0.338 -2.210 1.00 0.48 C ATOM 0 H LEU A 24 19.469 2.278 -4.328 1.00 0.41 H new ATOM 0 HA LEU A 24 19.711 -0.530 -4.663 1.00 0.35 H new ATOM 0 HB2 LEU A 24 17.756 1.437 -3.685 1.00 0.30 H new ATOM 0 HB3 LEU A 24 17.016 0.041 -4.441 1.00 0.30 H new ATOM 0 HG LEU A 24 17.480 0.031 -1.888 1.00 0.38 H new ATOM 0 HD11 LEU A 24 17.850 -2.401 -1.928 1.00 0.44 H new ATOM 0 HD12 LEU A 24 16.653 -1.895 -3.144 1.00 0.44 H new ATOM 0 HD13 LEU A 24 18.313 -2.298 -3.643 1.00 0.44 H new ATOM 0 HD21 LEU A 24 19.681 -0.912 -1.292 1.00 0.48 H new ATOM 0 HD22 LEU A 24 20.201 -0.753 -2.986 1.00 0.48 H new ATOM 0 HD23 LEU A 24 19.833 0.701 -2.028 1.00 0.48 H new ATOM 354 N ALA A 25 19.027 -1.001 -6.927 1.00 0.32 N ATOM 355 CA ALA A 25 18.690 -1.342 -8.302 1.00 0.33 C ATOM 356 C ALA A 25 17.274 -1.901 -8.414 1.00 0.31 C ATOM 357 O ALA A 25 16.742 -2.054 -9.514 1.00 0.41 O ATOM 358 CB ALA A 25 19.694 -2.335 -8.848 1.00 0.37 C ATOM 0 H ALA A 25 19.648 -1.669 -6.471 1.00 0.32 H new ATOM 0 HA ALA A 25 18.728 -0.428 -8.894 1.00 0.33 H new ATOM 0 HB1 ALA A 25 19.435 -2.585 -9.877 1.00 0.37 H new ATOM 0 HB2 ALA A 25 20.691 -1.896 -8.821 1.00 0.37 H new ATOM 0 HB3 ALA A 25 19.679 -3.239 -8.240 1.00 0.37 H new ATOM 364 N SER A 26 16.671 -2.209 -7.279 1.00 0.25 N ATOM 365 CA SER A 26 15.327 -2.754 -7.259 1.00 0.22 C ATOM 366 C SER A 26 14.285 -1.688 -7.596 1.00 0.19 C ATOM 367 O SER A 26 13.534 -1.832 -8.562 1.00 0.22 O ATOM 368 CB SER A 26 15.048 -3.372 -5.898 1.00 0.24 C ATOM 369 OG SER A 26 15.334 -2.458 -4.851 1.00 1.04 O ATOM 0 H SER A 26 17.093 -2.090 -6.358 1.00 0.25 H new ATOM 0 HA SER A 26 15.256 -3.527 -8.025 1.00 0.22 H new ATOM 0 HB2 SER A 26 14.003 -3.678 -5.842 1.00 0.24 H new ATOM 0 HB3 SER A 26 15.651 -4.272 -5.774 1.00 0.24 H new ATOM 0 HG SER A 26 14.863 -2.735 -4.037 1.00 1.04 H new ATOM 375 N TYR A 27 14.254 -0.612 -6.808 1.00 0.16 N ATOM 376 CA TYR A 27 13.270 0.449 -7.005 1.00 0.16 C ATOM 377 C TYR A 27 13.567 1.236 -8.277 1.00 0.21 C ATOM 378 O TYR A 27 12.718 1.984 -8.761 1.00 0.26 O ATOM 379 CB TYR A 27 13.231 1.410 -5.808 1.00 0.15 C ATOM 380 CG TYR A 27 13.301 0.733 -4.457 1.00 0.14 C ATOM 381 CD1 TYR A 27 12.172 0.157 -3.887 1.00 0.14 C ATOM 382 CD2 TYR A 27 14.500 0.662 -3.755 1.00 0.18 C ATOM 383 CE1 TYR A 27 12.236 -0.469 -2.657 1.00 0.17 C ATOM 384 CE2 TYR A 27 14.568 0.027 -2.531 1.00 0.22 C ATOM 385 CZ TYR A 27 13.438 -0.532 -1.986 1.00 0.21 C ATOM 386 OH TYR A 27 13.517 -1.164 -0.769 1.00 0.27 O ATOM 0 H TYR A 27 14.896 -0.454 -6.032 1.00 0.16 H new ATOM 0 HA TYR A 27 12.296 -0.031 -7.098 1.00 0.16 H new ATOM 0 HB2 TYR A 27 14.062 2.110 -5.893 1.00 0.15 H new ATOM 0 HB3 TYR A 27 12.314 1.997 -5.859 1.00 0.15 H new ATOM 0 HD1 TYR A 27 11.230 0.199 -4.414 1.00 0.14 H new ATOM 0 HD2 TYR A 27 15.389 1.110 -4.173 1.00 0.18 H new ATOM 0 HE1 TYR A 27 11.349 -0.907 -2.224 1.00 0.17 H new ATOM 0 HE2 TYR A 27 15.508 -0.030 -2.003 1.00 0.22 H new ATOM 0 HH TYR A 27 14.437 -1.117 -0.435 1.00 0.27 H new ATOM 396 N CYS A 28 14.772 1.068 -8.812 1.00 0.25 N ATOM 397 CA CYS A 28 15.175 1.766 -10.025 1.00 0.31 C ATOM 398 C CYS A 28 14.318 1.320 -11.206 1.00 0.41 C ATOM 399 O CYS A 28 14.416 0.175 -11.659 1.00 0.48 O ATOM 400 CB CYS A 28 16.655 1.512 -10.315 1.00 0.35 C ATOM 401 SG CYS A 28 17.315 2.461 -11.705 1.00 0.81 S ATOM 0 H CYS A 28 15.487 0.453 -8.423 1.00 0.25 H new ATOM 0 HA CYS A 28 15.027 2.836 -9.876 1.00 0.31 H new ATOM 0 HB2 CYS A 28 17.234 1.748 -9.422 1.00 0.35 H new ATOM 0 HB3 CYS A 28 16.797 0.450 -10.515 1.00 0.35 H new ATOM 0 HG CYS A 28 18.573 2.176 -11.866 1.00 0.81 H new ATOM 407 N GLY A 29 13.465 2.220 -11.686 1.00 0.50 N ATOM 408 CA GLY A 29 12.576 1.893 -12.786 1.00 0.65 C ATOM 409 C GLY A 29 11.442 0.980 -12.360 1.00 0.57 C ATOM 410 O GLY A 29 10.859 0.270 -13.181 1.00 0.74 O ATOM 0 H GLY A 29 13.374 3.172 -11.332 1.00 0.50 H new ATOM 0 HA2 GLY A 29 12.163 2.812 -13.201 1.00 0.65 H new ATOM 0 HA3 GLY A 29 13.147 1.413 -13.581 1.00 0.65 H new ATOM 414 N ALA A 30 11.127 1.001 -11.075 1.00 0.43 N ATOM 415 CA ALA A 30 10.101 0.132 -10.528 1.00 0.35 C ATOM 416 C ALA A 30 8.809 0.889 -10.246 1.00 0.30 C ATOM 417 O ALA A 30 8.793 2.113 -10.151 1.00 0.41 O ATOM 418 CB ALA A 30 10.601 -0.519 -9.254 1.00 0.33 C ATOM 0 H ALA A 30 11.570 1.613 -10.390 1.00 0.43 H new ATOM 0 HA ALA A 30 9.884 -0.633 -11.273 1.00 0.35 H new ATOM 0 HB1 ALA A 30 9.826 -1.170 -8.849 1.00 0.33 H new ATOM 0 HB2 ALA A 30 11.492 -1.108 -9.472 1.00 0.33 H new ATOM 0 HB3 ALA A 30 10.846 0.252 -8.523 1.00 0.33 H new ATOM 424 N ALA A 31 7.732 0.135 -10.129 1.00 0.24 N ATOM 425 CA ALA A 31 6.445 0.656 -9.702 1.00 0.19 C ATOM 426 C ALA A 31 6.241 0.335 -8.237 1.00 0.18 C ATOM 427 O ALA A 31 6.035 -0.810 -7.896 1.00 0.30 O ATOM 428 CB ALA A 31 5.337 0.024 -10.521 1.00 0.19 C ATOM 0 H ALA A 31 7.725 -0.865 -10.329 1.00 0.24 H new ATOM 0 HA ALA A 31 6.423 1.736 -9.848 1.00 0.19 H new ATOM 0 HB1 ALA A 31 4.374 0.419 -10.196 1.00 0.19 H new ATOM 0 HB2 ALA A 31 5.487 0.255 -11.576 1.00 0.19 H new ATOM 0 HB3 ALA A 31 5.352 -1.057 -10.381 1.00 0.19 H new ATOM 434 N ILE A 32 6.312 1.319 -7.360 1.00 0.14 N ATOM 435 CA ILE A 32 6.215 1.031 -5.938 1.00 0.13 C ATOM 436 C ILE A 32 4.828 1.359 -5.404 1.00 0.13 C ATOM 437 O ILE A 32 4.170 2.292 -5.870 1.00 0.21 O ATOM 438 CB ILE A 32 7.295 1.766 -5.119 1.00 0.13 C ATOM 439 CG1 ILE A 32 7.304 1.264 -3.675 1.00 0.13 C ATOM 440 CG2 ILE A 32 7.045 3.252 -5.165 1.00 0.15 C ATOM 441 CD1 ILE A 32 8.683 1.162 -3.077 1.00 0.15 C ATOM 0 H ILE A 32 6.434 2.304 -7.597 1.00 0.14 H new ATOM 0 HA ILE A 32 6.388 -0.039 -5.823 1.00 0.13 H new ATOM 0 HB ILE A 32 8.273 1.561 -5.554 1.00 0.13 H new ATOM 0 HG12 ILE A 32 6.701 1.935 -3.063 1.00 0.13 H new ATOM 0 HG13 ILE A 32 6.828 0.284 -3.638 1.00 0.13 H new ATOM 0 HG21 ILE A 32 7.810 3.768 -4.585 1.00 0.15 H new ATOM 0 HG22 ILE A 32 7.080 3.595 -6.199 1.00 0.15 H new ATOM 0 HG23 ILE A 32 6.063 3.469 -4.744 1.00 0.15 H new ATOM 0 HD11 ILE A 32 8.609 0.799 -2.052 1.00 0.15 H new ATOM 0 HD12 ILE A 32 9.284 0.468 -3.665 1.00 0.15 H new ATOM 0 HD13 ILE A 32 9.155 2.145 -3.081 1.00 0.15 H new ATOM 453 N TYR A 33 4.385 0.561 -4.447 1.00 0.10 N ATOM 454 CA TYR A 33 3.051 0.685 -3.892 1.00 0.10 C ATOM 455 C TYR A 33 3.092 0.544 -2.378 1.00 0.09 C ATOM 456 O TYR A 33 4.034 -0.031 -1.824 1.00 0.09 O ATOM 457 CB TYR A 33 2.145 -0.395 -4.478 1.00 0.10 C ATOM 458 CG TYR A 33 2.131 -0.435 -5.986 1.00 0.12 C ATOM 459 CD1 TYR A 33 1.295 0.404 -6.704 1.00 0.16 C ATOM 460 CD2 TYR A 33 2.945 -1.312 -6.691 1.00 0.13 C ATOM 461 CE1 TYR A 33 1.267 0.373 -8.081 1.00 0.19 C ATOM 462 CE2 TYR A 33 2.924 -1.349 -8.071 1.00 0.16 C ATOM 463 CZ TYR A 33 2.127 -0.516 -8.762 1.00 0.19 C ATOM 464 OH TYR A 33 2.056 -0.538 -10.140 1.00 0.24 O ATOM 0 H TYR A 33 4.940 -0.189 -4.035 1.00 0.10 H new ATOM 0 HA TYR A 33 2.658 1.669 -4.146 1.00 0.10 H new ATOM 0 HB2 TYR A 33 2.466 -1.367 -4.102 1.00 0.10 H new ATOM 0 HB3 TYR A 33 1.128 -0.235 -4.120 1.00 0.10 H new ATOM 0 HD1 TYR A 33 0.654 1.094 -6.175 1.00 0.16 H new ATOM 0 HD2 TYR A 33 3.605 -1.975 -6.151 1.00 0.13 H new ATOM 0 HE1 TYR A 33 0.598 1.018 -8.631 1.00 0.19 H new ATOM 0 HE2 TYR A 33 3.552 -2.052 -8.599 1.00 0.16 H new ATOM 0 HH TYR A 33 2.095 -1.465 -10.455 1.00 0.24 H new ATOM 474 N ALA A 34 2.075 1.067 -1.717 1.00 0.11 N ATOM 475 CA ALA A 34 1.953 0.944 -0.276 1.00 0.11 C ATOM 476 C ALA A 34 1.133 -0.262 0.080 1.00 0.10 C ATOM 477 O ALA A 34 -0.031 -0.354 -0.298 1.00 0.14 O ATOM 478 CB ALA A 34 1.291 2.162 0.320 1.00 0.12 C ATOM 0 H ALA A 34 1.316 1.585 -2.160 1.00 0.11 H new ATOM 0 HA ALA A 34 2.961 0.845 0.128 1.00 0.11 H new ATOM 0 HB1 ALA A 34 1.213 2.042 1.401 1.00 0.12 H new ATOM 0 HB2 ALA A 34 1.887 3.047 0.095 1.00 0.12 H new ATOM 0 HB3 ALA A 34 0.294 2.279 -0.105 1.00 0.12 H new ATOM 484 N ARG A 35 1.715 -1.177 0.812 1.00 0.09 N ATOM 485 CA ARG A 35 0.965 -2.319 1.251 1.00 0.09 C ATOM 486 C ARG A 35 1.190 -2.553 2.729 1.00 0.08 C ATOM 487 O ARG A 35 2.314 -2.746 3.182 1.00 0.08 O ATOM 488 CB ARG A 35 1.313 -3.556 0.417 1.00 0.10 C ATOM 489 CG ARG A 35 0.093 -4.395 0.099 1.00 0.12 C ATOM 490 CD ARG A 35 -0.948 -3.567 -0.646 1.00 0.16 C ATOM 491 NE ARG A 35 -0.407 -3.007 -1.887 1.00 0.19 N ATOM 492 CZ ARG A 35 -1.066 -2.166 -2.687 1.00 0.39 C ATOM 493 NH1 ARG A 35 -2.297 -1.780 -2.396 1.00 0.62 N ATOM 494 NH2 ARG A 35 -0.487 -1.714 -3.788 1.00 0.40 N ATOM 0 H ARG A 35 2.690 -1.153 1.111 1.00 0.09 H new ATOM 0 HA ARG A 35 -0.097 -2.122 1.102 1.00 0.09 H new ATOM 0 HB2 ARG A 35 1.789 -3.243 -0.512 1.00 0.10 H new ATOM 0 HB3 ARG A 35 2.039 -4.164 0.957 1.00 0.10 H new ATOM 0 HG2 ARG A 35 0.383 -5.254 -0.506 1.00 0.12 H new ATOM 0 HG3 ARG A 35 -0.337 -4.785 1.021 1.00 0.12 H new ATOM 0 HD2 ARG A 35 -1.813 -4.190 -0.874 1.00 0.16 H new ATOM 0 HD3 ARG A 35 -1.298 -2.759 -0.004 1.00 0.16 H new ATOM 0 HE ARG A 35 0.538 -3.278 -2.158 1.00 0.19 H new ATOM 0 HH11 ARG A 35 -2.754 -2.125 -1.552 1.00 0.62 H new ATOM 0 HH12 ARG A 35 -2.790 -1.137 -3.016 1.00 0.62 H new ATOM 0 HH21 ARG A 35 0.461 -2.008 -4.024 1.00 0.40 H new ATOM 0 HH22 ARG A 35 -0.989 -1.071 -4.401 1.00 0.40 H new ATOM 508 N TYR A 36 0.110 -2.468 3.478 1.00 0.10 N ATOM 509 CA TYR A 36 0.120 -2.794 4.883 1.00 0.11 C ATOM 510 C TYR A 36 0.181 -4.309 4.998 1.00 0.14 C ATOM 511 O TYR A 36 -0.843 -4.962 5.160 1.00 0.19 O ATOM 512 CB TYR A 36 -1.149 -2.258 5.553 1.00 0.14 C ATOM 513 CG TYR A 36 -1.110 -2.305 7.054 1.00 0.14 C ATOM 514 CD1 TYR A 36 -0.369 -1.392 7.788 1.00 0.13 C ATOM 515 CD2 TYR A 36 -1.830 -3.264 7.734 1.00 0.20 C ATOM 516 CE1 TYR A 36 -0.350 -1.443 9.164 1.00 0.15 C ATOM 517 CE2 TYR A 36 -1.823 -3.331 9.103 1.00 0.21 C ATOM 518 CZ TYR A 36 -0.992 -2.366 9.823 1.00 0.18 C ATOM 519 OH TYR A 36 -1.066 -2.477 11.200 1.00 0.20 O ATOM 0 H TYR A 36 -0.800 -2.170 3.126 1.00 0.10 H new ATOM 0 HA TYR A 36 0.978 -2.341 5.380 1.00 0.11 H new ATOM 0 HB2 TYR A 36 -1.308 -1.228 5.235 1.00 0.14 H new ATOM 0 HB3 TYR A 36 -2.005 -2.835 5.203 1.00 0.14 H new ATOM 0 HD1 TYR A 36 0.200 -0.631 7.274 1.00 0.13 H new ATOM 0 HD2 TYR A 36 -2.414 -3.980 7.174 1.00 0.20 H new ATOM 0 HE1 TYR A 36 0.211 -0.699 9.711 1.00 0.15 H new ATOM 0 HE2 TYR A 36 -2.409 -4.069 9.631 1.00 0.21 H new ATOM 0 HH TYR A 36 -1.610 -3.257 11.437 1.00 0.20 H new ATOM 529 N ASP A 37 1.379 -4.855 4.868 1.00 0.13 N ATOM 530 CA ASP A 37 1.570 -6.299 4.843 1.00 0.17 C ATOM 531 C ASP A 37 2.921 -6.652 5.438 1.00 0.17 C ATOM 532 O ASP A 37 3.590 -5.794 6.013 1.00 0.16 O ATOM 533 CB ASP A 37 1.483 -6.872 3.417 1.00 0.19 C ATOM 534 CG ASP A 37 0.719 -8.185 3.403 1.00 0.47 C ATOM 535 OD1 ASP A 37 1.257 -9.202 3.899 1.00 0.72 O ATOM 536 OD2 ASP A 37 -0.404 -8.211 2.863 1.00 0.63 O ATOM 0 H ASP A 37 2.241 -4.317 4.777 1.00 0.13 H new ATOM 0 HA ASP A 37 0.767 -6.740 5.434 1.00 0.17 H new ATOM 0 HB2 ASP A 37 0.990 -6.153 2.762 1.00 0.19 H new ATOM 0 HB3 ASP A 37 2.487 -7.027 3.022 1.00 0.19 H new ATOM 541 N LYS A 38 3.320 -7.909 5.304 1.00 0.24 N ATOM 542 CA LYS A 38 4.626 -8.348 5.775 1.00 0.27 C ATOM 543 C LYS A 38 5.711 -7.860 4.818 1.00 0.26 C ATOM 544 O LYS A 38 5.416 -7.434 3.705 1.00 0.24 O ATOM 545 CB LYS A 38 4.699 -9.868 5.820 1.00 0.35 C ATOM 546 CG LYS A 38 3.580 -10.551 6.592 1.00 0.73 C ATOM 547 CD LYS A 38 3.574 -12.051 6.338 1.00 1.05 C ATOM 548 CE LYS A 38 3.793 -12.359 4.864 1.00 0.94 C ATOM 549 NZ LYS A 38 3.736 -13.816 4.565 1.00 1.74 N ATOM 0 H LYS A 38 2.758 -8.643 4.873 1.00 0.24 H new ATOM 0 HA LYS A 38 4.776 -7.939 6.774 1.00 0.27 H new ATOM 0 HB2 LYS A 38 4.696 -10.246 4.798 1.00 0.35 H new ATOM 0 HB3 LYS A 38 5.652 -10.156 6.263 1.00 0.35 H new ATOM 0 HG2 LYS A 38 3.701 -10.360 7.658 1.00 0.73 H new ATOM 0 HG3 LYS A 38 2.620 -10.126 6.299 1.00 0.73 H new ATOM 0 HD2 LYS A 38 4.355 -12.526 6.932 1.00 1.05 H new ATOM 0 HD3 LYS A 38 2.624 -12.474 6.664 1.00 1.05 H new ATOM 0 HE2 LYS A 38 3.037 -11.842 4.273 1.00 0.94 H new ATOM 0 HE3 LYS A 38 4.762 -11.967 4.556 1.00 0.94 H new ATOM 0 HZ1 LYS A 38 3.858 -13.966 3.543 1.00 1.74 H new ATOM 0 HZ2 LYS A 38 4.495 -14.306 5.080 1.00 1.74 H new ATOM 0 HZ3 LYS A 38 2.815 -14.196 4.863 1.00 1.74 H new ATOM 563 N GLY A 39 6.959 -7.924 5.255 1.00 0.34 N ATOM 564 CA GLY A 39 8.076 -7.620 4.381 1.00 0.39 C ATOM 565 C GLY A 39 8.903 -8.857 4.099 1.00 0.38 C ATOM 566 O GLY A 39 8.399 -9.840 3.557 1.00 0.40 O ATOM 0 H GLY A 39 7.221 -8.183 6.206 1.00 0.34 H new ATOM 0 HA2 GLY A 39 7.705 -7.206 3.443 1.00 0.39 H new ATOM 0 HA3 GLY A 39 8.704 -6.857 4.841 1.00 0.39 H new ATOM 570 N ASN A 40 10.181 -8.799 4.449 1.00 0.42 N ATOM 571 CA ASN A 40 11.044 -9.978 4.434 1.00 0.46 C ATOM 572 C ASN A 40 10.491 -11.017 5.429 1.00 0.45 C ATOM 573 O ASN A 40 9.603 -10.694 6.217 1.00 0.42 O ATOM 574 CB ASN A 40 12.488 -9.545 4.780 1.00 0.56 C ATOM 575 CG ASN A 40 13.463 -10.698 4.949 1.00 0.82 C ATOM 576 OD1 ASN A 40 13.358 -11.726 4.281 1.00 0.89 O ATOM 577 ND2 ASN A 40 14.424 -10.532 5.847 1.00 1.69 N ATOM 0 H ASN A 40 10.648 -7.943 4.749 1.00 0.42 H new ATOM 0 HA ASN A 40 11.062 -10.441 3.447 1.00 0.46 H new ATOM 0 HB2 ASN A 40 12.856 -8.886 3.993 1.00 0.56 H new ATOM 0 HB3 ASN A 40 12.469 -8.962 5.701 1.00 0.56 H new ATOM 0 HD21 ASN A 40 15.109 -11.271 6.003 1.00 1.69 H new ATOM 0 HD22 ASN A 40 14.478 -9.665 6.382 1.00 1.69 H new ATOM 584 N SER A 41 11.002 -12.246 5.388 1.00 0.57 N ATOM 585 CA SER A 41 10.475 -13.353 6.194 1.00 0.65 C ATOM 586 C SER A 41 10.287 -12.964 7.662 1.00 0.63 C ATOM 587 O SER A 41 9.192 -13.109 8.216 1.00 0.75 O ATOM 588 CB SER A 41 11.421 -14.549 6.097 1.00 0.94 C ATOM 589 OG SER A 41 11.747 -14.830 4.748 1.00 1.58 O ATOM 0 H SER A 41 11.792 -12.505 4.797 1.00 0.57 H new ATOM 0 HA SER A 41 9.494 -13.612 5.797 1.00 0.65 H new ATOM 0 HB2 SER A 41 12.332 -14.343 6.660 1.00 0.94 H new ATOM 0 HB3 SER A 41 10.956 -15.423 6.552 1.00 0.94 H new ATOM 0 HG SER A 41 12.355 -15.598 4.711 1.00 1.58 H new ATOM 595 N SER A 42 11.345 -12.454 8.283 1.00 0.70 N ATOM 596 CA SER A 42 11.301 -12.078 9.692 1.00 0.85 C ATOM 597 C SER A 42 10.565 -10.751 9.888 1.00 0.84 C ATOM 598 O SER A 42 10.275 -10.345 11.015 1.00 1.07 O ATOM 599 CB SER A 42 12.723 -11.988 10.244 1.00 1.03 C ATOM 600 OG SER A 42 13.441 -13.181 9.961 1.00 1.61 O ATOM 0 H SER A 42 12.245 -12.291 7.832 1.00 0.70 H new ATOM 0 HA SER A 42 10.751 -12.844 10.238 1.00 0.85 H new ATOM 0 HB2 SER A 42 13.237 -11.134 9.804 1.00 1.03 H new ATOM 0 HB3 SER A 42 12.692 -11.821 11.321 1.00 1.03 H new ATOM 0 HG SER A 42 14.350 -13.108 10.319 1.00 1.61 H new ATOM 606 N GLN A 43 10.254 -10.093 8.781 1.00 0.71 N ATOM 607 CA GLN A 43 9.558 -8.815 8.802 1.00 0.85 C ATOM 608 C GLN A 43 8.058 -9.031 8.594 1.00 0.89 C ATOM 609 O GLN A 43 7.363 -8.204 8.003 1.00 1.47 O ATOM 610 CB GLN A 43 10.147 -7.848 7.758 1.00 0.90 C ATOM 611 CG GLN A 43 9.594 -6.420 7.827 1.00 1.37 C ATOM 612 CD GLN A 43 9.798 -5.746 9.178 1.00 1.82 C ATOM 613 OE1 GLN A 43 9.831 -6.398 10.221 1.00 2.47 O ATOM 614 NE2 GLN A 43 9.929 -4.430 9.166 1.00 2.27 N ATOM 0 H GLN A 43 10.477 -10.429 7.844 1.00 0.71 H new ATOM 0 HA GLN A 43 9.699 -8.353 9.779 1.00 0.85 H new ATOM 0 HB2 GLN A 43 11.229 -7.811 7.886 1.00 0.90 H new ATOM 0 HB3 GLN A 43 9.957 -8.249 6.763 1.00 0.90 H new ATOM 0 HG2 GLN A 43 10.072 -5.817 7.055 1.00 1.37 H new ATOM 0 HG3 GLN A 43 8.528 -6.442 7.600 1.00 1.37 H new ATOM 0 HE21 GLN A 43 9.897 -3.922 8.282 1.00 2.27 H new ATOM 0 HE22 GLN A 43 10.063 -3.923 10.041 1.00 2.27 H new ATOM 623 N GLN A 44 7.576 -10.192 9.022 1.00 0.61 N ATOM 624 CA GLN A 44 6.143 -10.471 9.041 1.00 0.58 C ATOM 625 C GLN A 44 5.412 -9.461 9.948 1.00 0.65 C ATOM 626 O GLN A 44 6.008 -8.466 10.353 1.00 1.34 O ATOM 627 CB GLN A 44 5.905 -11.905 9.501 1.00 0.63 C ATOM 628 CG GLN A 44 6.409 -12.194 10.903 1.00 1.03 C ATOM 629 CD GLN A 44 6.654 -13.671 11.179 1.00 1.58 C ATOM 630 OE1 GLN A 44 7.221 -14.398 10.218 1.00 2.07 O flip ATOM 631 NE2 GLN A 44 6.392 -14.145 12.281 1.00 2.18 N flip ATOM 0 H GLN A 44 8.158 -10.958 9.362 1.00 0.61 H new ATOM 0 HA GLN A 44 5.740 -10.363 8.034 1.00 0.58 H new ATOM 0 HB2 GLN A 44 4.837 -12.117 9.459 1.00 0.63 H new ATOM 0 HB3 GLN A 44 6.393 -12.586 8.803 1.00 0.63 H new ATOM 0 HG2 GLN A 44 7.337 -11.646 11.065 1.00 1.03 H new ATOM 0 HG3 GLN A 44 5.685 -11.815 11.624 1.00 1.03 H new ATOM 0 HE21 GLN A 44 5.958 -13.562 12.997 1.00 2.18 H new ATOM 0 HE22 GLN A 44 6.609 -15.121 12.481 1.00 2.18 H new ATOM 640 N THR A 45 4.147 -9.742 10.285 1.00 0.27 N ATOM 641 CA THR A 45 3.227 -8.764 10.892 1.00 0.30 C ATOM 642 C THR A 45 3.076 -7.545 9.993 1.00 0.25 C ATOM 643 O THR A 45 4.055 -6.903 9.617 1.00 0.35 O ATOM 644 CB THR A 45 3.589 -8.312 12.338 1.00 0.47 C ATOM 645 OG1 THR A 45 4.900 -7.746 12.429 1.00 0.57 O ATOM 646 CG2 THR A 45 3.466 -9.471 13.310 1.00 0.59 C ATOM 0 H THR A 45 3.727 -10.661 10.144 1.00 0.27 H new ATOM 0 HA THR A 45 2.281 -9.298 10.985 1.00 0.30 H new ATOM 0 HB THR A 45 2.875 -7.532 12.604 1.00 0.47 H new ATOM 0 HG1 THR A 45 5.251 -7.586 11.528 1.00 0.57 H new ATOM 0 HG21 THR A 45 3.723 -9.133 14.314 1.00 0.59 H new ATOM 0 HG22 THR A 45 2.442 -9.844 13.304 1.00 0.59 H new ATOM 0 HG23 THR A 45 4.144 -10.270 13.011 1.00 0.59 H new ATOM 654 N LYS A 46 1.846 -7.231 9.638 1.00 0.21 N ATOM 655 CA LYS A 46 1.604 -6.195 8.659 1.00 0.18 C ATOM 656 C LYS A 46 1.834 -4.817 9.242 1.00 0.17 C ATOM 657 O LYS A 46 1.295 -4.476 10.295 1.00 0.21 O ATOM 658 CB LYS A 46 0.188 -6.259 8.122 1.00 0.20 C ATOM 659 CG LYS A 46 -0.214 -7.618 7.598 1.00 0.23 C ATOM 660 CD LYS A 46 -1.232 -7.465 6.493 1.00 0.24 C ATOM 661 CE LYS A 46 -1.786 -8.798 6.034 1.00 0.34 C ATOM 662 NZ LYS A 46 -2.450 -8.686 4.709 1.00 0.55 N ATOM 0 H LYS A 46 1.006 -7.675 10.010 1.00 0.21 H new ATOM 0 HA LYS A 46 2.310 -6.369 7.847 1.00 0.18 H new ATOM 0 HB2 LYS A 46 -0.503 -5.968 8.914 1.00 0.20 H new ATOM 0 HB3 LYS A 46 0.081 -5.527 7.321 1.00 0.20 H new ATOM 0 HG2 LYS A 46 0.663 -8.147 7.225 1.00 0.23 H new ATOM 0 HG3 LYS A 46 -0.630 -8.220 8.406 1.00 0.23 H new ATOM 0 HD2 LYS A 46 -2.050 -6.834 6.840 1.00 0.24 H new ATOM 0 HD3 LYS A 46 -0.773 -6.954 5.647 1.00 0.24 H new ATOM 0 HE2 LYS A 46 -0.979 -9.528 5.977 1.00 0.34 H new ATOM 0 HE3 LYS A 46 -2.500 -9.169 6.769 1.00 0.34 H new ATOM 0 HZ1 LYS A 46 -3.133 -9.462 4.596 1.00 0.55 H new ATOM 0 HZ2 LYS A 46 -2.947 -7.775 4.646 1.00 0.55 H new ATOM 0 HZ3 LYS A 46 -1.735 -8.743 3.956 1.00 0.55 H new ATOM 676 N GLU A 47 2.641 -4.041 8.552 1.00 0.13 N ATOM 677 CA GLU A 47 2.792 -2.624 8.837 1.00 0.14 C ATOM 678 C GLU A 47 2.942 -1.904 7.524 1.00 0.11 C ATOM 679 O GLU A 47 3.365 -2.505 6.537 1.00 0.12 O ATOM 680 CB GLU A 47 3.997 -2.331 9.724 1.00 0.18 C ATOM 681 CG GLU A 47 3.919 -3.010 11.073 1.00 0.32 C ATOM 682 CD GLU A 47 5.133 -2.727 11.929 1.00 0.33 C ATOM 683 OE1 GLU A 47 6.200 -3.318 11.667 1.00 0.47 O ATOM 684 OE2 GLU A 47 5.030 -1.900 12.861 1.00 0.64 O ATOM 0 H GLU A 47 3.214 -4.372 7.775 1.00 0.13 H new ATOM 0 HA GLU A 47 1.912 -2.283 9.382 1.00 0.14 H new ATOM 0 HB2 GLU A 47 4.904 -2.654 9.213 1.00 0.18 H new ATOM 0 HB3 GLU A 47 4.080 -1.254 9.870 1.00 0.18 H new ATOM 0 HG2 GLU A 47 3.023 -2.674 11.595 1.00 0.32 H new ATOM 0 HG3 GLU A 47 3.821 -4.086 10.930 1.00 0.32 H new ATOM 691 N TRP A 48 2.564 -0.643 7.496 1.00 0.11 N ATOM 692 CA TRP A 48 2.693 0.135 6.288 1.00 0.11 C ATOM 693 C TRP A 48 4.134 0.189 5.834 1.00 0.10 C ATOM 694 O TRP A 48 4.986 0.759 6.498 1.00 0.12 O ATOM 695 CB TRP A 48 2.186 1.544 6.491 1.00 0.12 C ATOM 696 CG TRP A 48 0.709 1.666 6.376 1.00 0.12 C ATOM 697 CD1 TRP A 48 -0.157 2.088 7.333 1.00 0.13 C ATOM 698 CD2 TRP A 48 -0.073 1.354 5.226 1.00 0.12 C ATOM 699 NE1 TRP A 48 -1.441 2.078 6.836 1.00 0.13 N ATOM 700 CE2 TRP A 48 -1.413 1.621 5.544 1.00 0.12 C ATOM 701 CE3 TRP A 48 0.236 0.878 3.954 1.00 0.12 C ATOM 702 CZ2 TRP A 48 -2.447 1.425 4.632 1.00 0.13 C ATOM 703 CZ3 TRP A 48 -0.786 0.682 3.051 1.00 0.13 C ATOM 704 CH2 TRP A 48 -2.114 0.955 3.392 1.00 0.14 C ATOM 0 H TRP A 48 2.168 -0.141 8.291 1.00 0.11 H new ATOM 0 HA TRP A 48 2.091 -0.354 5.522 1.00 0.11 H new ATOM 0 HB2 TRP A 48 2.496 1.895 7.475 1.00 0.12 H new ATOM 0 HB3 TRP A 48 2.655 2.199 5.757 1.00 0.12 H new ATOM 0 HD1 TRP A 48 0.120 2.387 8.333 1.00 0.13 H new ATOM 0 HE1 TRP A 48 -2.277 2.364 7.346 1.00 0.13 H new ATOM 0 HE3 TRP A 48 1.259 0.666 3.680 1.00 0.12 H new ATOM 0 HZ2 TRP A 48 -3.473 1.636 4.894 1.00 0.13 H new ATOM 0 HZ3 TRP A 48 -0.557 0.311 2.063 1.00 0.13 H new ATOM 0 HH2 TRP A 48 -2.892 0.791 2.661 1.00 0.14 H new ATOM 715 N ARG A 49 4.405 -0.412 4.710 1.00 0.11 N ATOM 716 CA ARG A 49 5.737 -0.407 4.167 1.00 0.13 C ATOM 717 C ARG A 49 5.653 -0.175 2.674 1.00 0.11 C ATOM 718 O ARG A 49 4.582 -0.316 2.081 1.00 0.13 O ATOM 719 CB ARG A 49 6.436 -1.732 4.492 1.00 0.15 C ATOM 720 CG ARG A 49 6.682 -1.937 5.983 1.00 0.21 C ATOM 721 CD ARG A 49 6.770 -3.407 6.341 1.00 0.31 C ATOM 722 NE ARG A 49 6.602 -3.638 7.775 1.00 0.51 N ATOM 723 CZ ARG A 49 6.300 -4.825 8.299 1.00 0.30 C ATOM 724 NH1 ARG A 49 6.047 -5.847 7.502 1.00 0.82 N ATOM 725 NH2 ARG A 49 6.215 -4.985 9.613 1.00 0.45 N ATOM 0 H ARG A 49 3.718 -0.915 4.148 1.00 0.11 H new ATOM 0 HA ARG A 49 6.326 0.394 4.612 1.00 0.13 H new ATOM 0 HB2 ARG A 49 5.830 -2.556 4.115 1.00 0.15 H new ATOM 0 HB3 ARG A 49 7.390 -1.770 3.965 1.00 0.15 H new ATOM 0 HG2 ARG A 49 7.606 -1.437 6.271 1.00 0.21 H new ATOM 0 HG3 ARG A 49 5.877 -1.472 6.552 1.00 0.21 H new ATOM 0 HD2 ARG A 49 6.005 -3.959 5.794 1.00 0.31 H new ATOM 0 HD3 ARG A 49 7.736 -3.799 6.022 1.00 0.31 H new ATOM 0 HE ARG A 49 6.723 -2.848 8.408 1.00 0.51 H new ATOM 0 HH11 ARG A 49 6.083 -5.726 6.490 1.00 0.82 H new ATOM 0 HH12 ARG A 49 5.815 -6.758 7.898 1.00 0.82 H new ATOM 0 HH21 ARG A 49 6.382 -4.194 10.235 1.00 0.45 H new ATOM 0 HH22 ARG A 49 5.983 -5.899 10.001 1.00 0.45 H new ATOM 739 N CYS A 50 6.764 0.174 2.068 1.00 0.11 N ATOM 740 CA CYS A 50 6.769 0.464 0.654 1.00 0.11 C ATOM 741 C CYS A 50 7.298 -0.740 -0.094 1.00 0.11 C ATOM 742 O CYS A 50 8.414 -1.185 0.142 1.00 0.17 O ATOM 743 CB CYS A 50 7.652 1.687 0.383 1.00 0.19 C ATOM 744 SG CYS A 50 7.158 3.164 1.300 1.00 1.13 S ATOM 0 H CYS A 50 7.670 0.263 2.528 1.00 0.11 H new ATOM 0 HA CYS A 50 5.756 0.682 0.315 1.00 0.11 H new ATOM 0 HB2 CYS A 50 8.683 1.442 0.637 1.00 0.19 H new ATOM 0 HB3 CYS A 50 7.630 1.909 -0.684 1.00 0.19 H new ATOM 0 HG CYS A 50 6.127 3.708 0.724 1.00 1.13 H new ATOM 750 N TYR A 51 6.490 -1.250 -1.002 1.00 0.10 N ATOM 751 CA TYR A 51 6.825 -2.443 -1.752 1.00 0.11 C ATOM 752 C TYR A 51 6.676 -2.150 -3.231 1.00 0.10 C ATOM 753 O TYR A 51 5.606 -1.729 -3.663 1.00 0.11 O ATOM 754 CB TYR A 51 5.870 -3.584 -1.390 1.00 0.11 C ATOM 755 CG TYR A 51 5.810 -3.919 0.069 1.00 0.12 C ATOM 756 CD1 TYR A 51 6.954 -4.203 0.791 1.00 0.14 C ATOM 757 CD2 TYR A 51 4.594 -3.958 0.720 1.00 0.14 C ATOM 758 CE1 TYR A 51 6.887 -4.508 2.132 1.00 0.16 C ATOM 759 CE2 TYR A 51 4.516 -4.264 2.060 1.00 0.16 C ATOM 760 CZ TYR A 51 5.666 -4.535 2.761 1.00 0.16 C ATOM 761 OH TYR A 51 5.597 -4.835 4.095 1.00 0.20 O ATOM 0 H TYR A 51 5.583 -0.849 -1.240 1.00 0.10 H new ATOM 0 HA TYR A 51 7.848 -2.735 -1.514 1.00 0.11 H new ATOM 0 HB2 TYR A 51 4.868 -3.321 -1.729 1.00 0.11 H new ATOM 0 HB3 TYR A 51 6.168 -4.476 -1.941 1.00 0.11 H new ATOM 0 HD1 TYR A 51 7.914 -4.185 0.296 1.00 0.14 H new ATOM 0 HD2 TYR A 51 3.689 -3.745 0.170 1.00 0.14 H new ATOM 0 HE1 TYR A 51 7.789 -4.725 2.686 1.00 0.16 H new ATOM 0 HE2 TYR A 51 3.557 -4.291 2.557 1.00 0.16 H new ATOM 0 HH TYR A 51 4.664 -5.001 4.345 1.00 0.20 H new ATOM 771 N ILE A 52 7.720 -2.335 -4.015 1.00 0.11 N ATOM 772 CA ILE A 52 7.561 -2.203 -5.451 1.00 0.12 C ATOM 773 C ILE A 52 6.819 -3.410 -5.991 1.00 0.15 C ATOM 774 O ILE A 52 6.862 -4.490 -5.405 1.00 0.17 O ATOM 775 CB ILE A 52 8.890 -2.005 -6.199 1.00 0.15 C ATOM 776 CG1 ILE A 52 9.897 -3.006 -5.777 1.00 0.23 C ATOM 777 CG2 ILE A 52 9.442 -0.618 -5.939 1.00 0.12 C ATOM 778 CD1 ILE A 52 11.218 -2.845 -6.485 1.00 0.24 C ATOM 0 H ILE A 52 8.660 -2.570 -3.696 1.00 0.11 H new ATOM 0 HA ILE A 52 6.982 -1.297 -5.627 1.00 0.12 H new ATOM 0 HB ILE A 52 8.687 -2.130 -7.263 1.00 0.15 H new ATOM 0 HG12 ILE A 52 10.055 -2.924 -4.702 1.00 0.23 H new ATOM 0 HG13 ILE A 52 9.509 -4.007 -5.967 1.00 0.23 H new ATOM 0 HG21 ILE A 52 10.383 -0.494 -6.476 1.00 0.12 H new ATOM 0 HG22 ILE A 52 8.727 0.129 -6.284 1.00 0.12 H new ATOM 0 HG23 ILE A 52 9.614 -0.489 -4.870 1.00 0.12 H new ATOM 0 HD11 ILE A 52 11.914 -3.607 -6.134 1.00 0.24 H new ATOM 0 HD12 ILE A 52 11.071 -2.956 -7.559 1.00 0.24 H new ATOM 0 HD13 ILE A 52 11.625 -1.856 -6.275 1.00 0.24 H new ATOM 790 N GLU A 53 6.123 -3.186 -7.103 1.00 0.16 N ATOM 791 CA GLU A 53 5.278 -4.177 -7.761 1.00 0.18 C ATOM 792 C GLU A 53 6.020 -5.487 -7.957 1.00 0.20 C ATOM 793 O GLU A 53 5.419 -6.553 -8.076 1.00 0.24 O ATOM 794 CB GLU A 53 4.821 -3.638 -9.111 1.00 0.19 C ATOM 795 CG GLU A 53 3.883 -4.573 -9.834 1.00 0.22 C ATOM 796 CD GLU A 53 3.350 -3.971 -11.114 1.00 0.27 C ATOM 797 OE1 GLU A 53 2.513 -3.048 -11.038 1.00 0.34 O ATOM 798 OE2 GLU A 53 3.768 -4.415 -12.204 1.00 0.39 O ATOM 0 H GLU A 53 6.132 -2.286 -7.583 1.00 0.16 H new ATOM 0 HA GLU A 53 4.413 -4.369 -7.126 1.00 0.18 H new ATOM 0 HB2 GLU A 53 4.326 -2.678 -8.964 1.00 0.19 H new ATOM 0 HB3 GLU A 53 5.694 -3.453 -9.737 1.00 0.19 H new ATOM 0 HG2 GLU A 53 4.404 -5.503 -10.061 1.00 0.22 H new ATOM 0 HG3 GLU A 53 3.049 -4.826 -9.179 1.00 0.22 H new ATOM 805 N LYS A 54 7.333 -5.368 -7.982 1.00 0.20 N ATOM 806 CA LYS A 54 8.232 -6.494 -8.090 1.00 0.24 C ATOM 807 C LYS A 54 7.954 -7.514 -6.998 1.00 0.25 C ATOM 808 O LYS A 54 7.937 -8.722 -7.238 1.00 0.30 O ATOM 809 CB LYS A 54 9.679 -5.997 -7.931 1.00 0.26 C ATOM 810 CG LYS A 54 10.300 -5.368 -9.184 1.00 0.79 C ATOM 811 CD LYS A 54 9.627 -4.063 -9.600 1.00 1.67 C ATOM 812 CE LYS A 54 8.485 -4.288 -10.582 1.00 2.57 C ATOM 813 NZ LYS A 54 8.961 -4.730 -11.920 1.00 3.37 N ATOM 0 H LYS A 54 7.811 -4.469 -7.927 1.00 0.20 H new ATOM 0 HA LYS A 54 8.085 -6.962 -9.063 1.00 0.24 H new ATOM 0 HB2 LYS A 54 9.707 -5.264 -7.125 1.00 0.26 H new ATOM 0 HB3 LYS A 54 10.301 -6.836 -7.620 1.00 0.26 H new ATOM 0 HG2 LYS A 54 11.358 -5.181 -9.002 1.00 0.79 H new ATOM 0 HG3 LYS A 54 10.239 -6.079 -10.008 1.00 0.79 H new ATOM 0 HD2 LYS A 54 9.246 -3.555 -8.714 1.00 1.67 H new ATOM 0 HD3 LYS A 54 10.367 -3.403 -10.052 1.00 1.67 H new ATOM 0 HE2 LYS A 54 7.804 -5.037 -10.177 1.00 2.57 H new ATOM 0 HE3 LYS A 54 7.916 -3.365 -10.690 1.00 2.57 H new ATOM 0 HZ1 LYS A 54 8.204 -4.594 -12.620 1.00 3.37 H new ATOM 0 HZ2 LYS A 54 9.792 -4.169 -12.195 1.00 3.37 H new ATOM 0 HZ3 LYS A 54 9.220 -5.737 -11.881 1.00 3.37 H new ATOM 827 N GLU A 55 7.726 -7.003 -5.804 1.00 0.22 N ATOM 828 CA GLU A 55 7.699 -7.814 -4.611 1.00 0.26 C ATOM 829 C GLU A 55 6.275 -8.206 -4.200 1.00 0.24 C ATOM 830 O GLU A 55 6.077 -9.236 -3.558 1.00 0.38 O ATOM 831 CB GLU A 55 8.404 -7.041 -3.511 1.00 0.28 C ATOM 832 CG GLU A 55 9.760 -6.495 -3.936 1.00 0.27 C ATOM 833 CD GLU A 55 10.757 -7.578 -4.289 1.00 0.32 C ATOM 834 OE1 GLU A 55 11.461 -8.066 -3.384 1.00 0.71 O ATOM 835 OE2 GLU A 55 10.829 -7.960 -5.471 1.00 0.70 O ATOM 0 H GLU A 55 7.554 -6.011 -5.638 1.00 0.22 H new ATOM 0 HA GLU A 55 8.214 -8.756 -4.802 1.00 0.26 H new ATOM 0 HB2 GLU A 55 7.770 -6.213 -3.194 1.00 0.28 H new ATOM 0 HB3 GLU A 55 8.536 -7.691 -2.646 1.00 0.28 H new ATOM 0 HG2 GLU A 55 9.627 -5.839 -4.796 1.00 0.27 H new ATOM 0 HG3 GLU A 55 10.167 -5.885 -3.130 1.00 0.27 H new ATOM 842 N LEU A 56 5.278 -7.398 -4.572 1.00 0.15 N ATOM 843 CA LEU A 56 3.893 -7.726 -4.267 1.00 0.14 C ATOM 844 C LEU A 56 3.425 -8.902 -5.103 1.00 0.16 C ATOM 845 O LEU A 56 4.090 -9.328 -6.049 1.00 0.22 O ATOM 846 CB LEU A 56 2.938 -6.567 -4.558 1.00 0.14 C ATOM 847 CG LEU A 56 2.942 -5.389 -3.589 1.00 0.13 C ATOM 848 CD1 LEU A 56 4.243 -4.643 -3.712 1.00 0.12 C ATOM 849 CD2 LEU A 56 1.790 -4.466 -3.922 1.00 0.15 C ATOM 0 H LEU A 56 5.407 -6.522 -5.079 1.00 0.15 H new ATOM 0 HA LEU A 56 3.872 -7.959 -3.202 1.00 0.14 H new ATOM 0 HB2 LEU A 56 3.167 -6.185 -5.553 1.00 0.14 H new ATOM 0 HB3 LEU A 56 1.925 -6.968 -4.596 1.00 0.14 H new ATOM 0 HG LEU A 56 2.832 -5.753 -2.567 1.00 0.13 H new ATOM 0 HD11 LEU A 56 4.246 -3.801 -3.020 1.00 0.12 H new ATOM 0 HD12 LEU A 56 5.070 -5.312 -3.474 1.00 0.12 H new ATOM 0 HD13 LEU A 56 4.356 -4.275 -4.732 1.00 0.12 H new ATOM 0 HD21 LEU A 56 1.789 -3.622 -3.232 1.00 0.15 H new ATOM 0 HD22 LEU A 56 1.900 -4.100 -4.943 1.00 0.15 H new ATOM 0 HD23 LEU A 56 0.850 -5.010 -3.832 1.00 0.15 H new ATOM 861 N ASP A 57 2.264 -9.395 -4.755 1.00 0.16 N ATOM 862 CA ASP A 57 1.575 -10.383 -5.563 1.00 0.19 C ATOM 863 C ASP A 57 0.164 -9.906 -5.845 1.00 0.21 C ATOM 864 O ASP A 57 -0.596 -9.622 -4.922 1.00 0.24 O ATOM 865 CB ASP A 57 1.527 -11.741 -4.858 1.00 0.22 C ATOM 866 CG ASP A 57 0.952 -12.823 -5.751 1.00 0.28 C ATOM 867 OD1 ASP A 57 0.924 -12.634 -6.983 1.00 0.98 O ATOM 868 OD2 ASP A 57 0.529 -13.871 -5.224 1.00 0.80 O ATOM 0 H ASP A 57 1.766 -9.127 -3.906 1.00 0.16 H new ATOM 0 HA ASP A 57 2.122 -10.505 -6.498 1.00 0.19 H new ATOM 0 HB2 ASP A 57 2.533 -12.024 -4.547 1.00 0.22 H new ATOM 0 HB3 ASP A 57 0.925 -11.659 -3.953 1.00 0.22 H new ATOM 873 N PHE A 58 -0.183 -9.800 -7.115 1.00 0.21 N ATOM 874 CA PHE A 58 -1.526 -9.395 -7.496 1.00 0.23 C ATOM 875 C PHE A 58 -2.440 -10.606 -7.604 1.00 0.28 C ATOM 876 O PHE A 58 -3.609 -10.491 -7.966 1.00 0.35 O ATOM 877 CB PHE A 58 -1.507 -8.602 -8.794 1.00 0.27 C ATOM 878 CG PHE A 58 -1.169 -7.153 -8.589 1.00 0.26 C ATOM 879 CD1 PHE A 58 0.136 -6.751 -8.347 1.00 0.25 C ATOM 880 CD2 PHE A 58 -2.162 -6.193 -8.646 1.00 0.30 C ATOM 881 CE1 PHE A 58 0.445 -5.417 -8.173 1.00 0.27 C ATOM 882 CE2 PHE A 58 -1.861 -4.854 -8.470 1.00 0.33 C ATOM 883 CZ PHE A 58 -0.555 -4.466 -8.234 1.00 0.31 C ATOM 0 H PHE A 58 0.443 -9.988 -7.898 1.00 0.21 H new ATOM 0 HA PHE A 58 -1.921 -8.743 -6.717 1.00 0.23 H new ATOM 0 HB2 PHE A 58 -0.781 -9.046 -9.475 1.00 0.27 H new ATOM 0 HB3 PHE A 58 -2.482 -8.678 -9.275 1.00 0.27 H new ATOM 0 HD1 PHE A 58 0.921 -7.491 -8.294 1.00 0.25 H new ATOM 0 HD2 PHE A 58 -3.184 -6.491 -8.830 1.00 0.30 H new ATOM 0 HE1 PHE A 58 1.466 -5.117 -7.990 1.00 0.27 H new ATOM 0 HE2 PHE A 58 -2.645 -4.113 -8.517 1.00 0.33 H new ATOM 0 HZ PHE A 58 -0.317 -3.421 -8.098 1.00 0.31 H new ATOM 893 N SER A 59 -1.892 -11.769 -7.283 1.00 0.27 N ATOM 894 CA SER A 59 -2.687 -12.963 -7.095 1.00 0.33 C ATOM 895 C SER A 59 -3.071 -13.041 -5.628 1.00 0.33 C ATOM 896 O SER A 59 -3.764 -13.951 -5.177 1.00 0.38 O ATOM 897 CB SER A 59 -1.909 -14.192 -7.523 1.00 0.38 C ATOM 898 OG SER A 59 -1.528 -14.107 -8.887 1.00 1.29 O ATOM 0 H SER A 59 -0.890 -11.906 -7.147 1.00 0.27 H new ATOM 0 HA SER A 59 -3.586 -12.922 -7.710 1.00 0.33 H new ATOM 0 HB2 SER A 59 -1.021 -14.299 -6.900 1.00 0.38 H new ATOM 0 HB3 SER A 59 -2.517 -15.083 -7.367 1.00 0.38 H new ATOM 0 HG SER A 59 -1.026 -14.911 -9.137 1.00 1.29 H new ATOM 904 N LYS A 60 -2.586 -12.052 -4.895 1.00 0.29 N ATOM 905 CA LYS A 60 -2.949 -11.839 -3.525 1.00 0.29 C ATOM 906 C LYS A 60 -3.892 -10.656 -3.461 1.00 0.29 C ATOM 907 O LYS A 60 -3.573 -9.582 -3.974 1.00 0.30 O ATOM 908 CB LYS A 60 -1.696 -11.508 -2.716 1.00 0.31 C ATOM 909 CG LYS A 60 -0.845 -12.700 -2.311 1.00 0.46 C ATOM 910 CD LYS A 60 -1.222 -13.255 -0.945 1.00 0.97 C ATOM 911 CE LYS A 60 -2.620 -13.848 -0.927 1.00 1.43 C ATOM 912 NZ LYS A 60 -2.954 -14.423 0.403 1.00 2.40 N ATOM 0 H LYS A 60 -1.918 -11.369 -5.252 1.00 0.29 H new ATOM 0 HA LYS A 60 -3.423 -12.733 -3.121 1.00 0.29 H new ATOM 0 HB2 LYS A 60 -1.079 -10.824 -3.299 1.00 0.31 H new ATOM 0 HB3 LYS A 60 -1.997 -10.976 -1.814 1.00 0.31 H new ATOM 0 HG2 LYS A 60 -0.949 -13.486 -3.059 1.00 0.46 H new ATOM 0 HG3 LYS A 60 0.204 -12.405 -2.302 1.00 0.46 H new ATOM 0 HD2 LYS A 60 -0.502 -14.020 -0.655 1.00 0.97 H new ATOM 0 HD3 LYS A 60 -1.158 -12.460 -0.202 1.00 0.97 H new ATOM 0 HE2 LYS A 60 -3.346 -13.077 -1.183 1.00 1.43 H new ATOM 0 HE3 LYS A 60 -2.697 -14.624 -1.689 1.00 1.43 H new ATOM 0 HZ1 LYS A 60 -3.915 -14.819 0.379 1.00 2.40 H new ATOM 0 HZ2 LYS A 60 -2.275 -15.176 0.636 1.00 2.40 H new ATOM 0 HZ3 LYS A 60 -2.905 -13.677 1.126 1.00 2.40 H new ATOM 926 N SER A 61 -5.046 -10.831 -2.854 1.00 0.33 N ATOM 927 CA SER A 61 -5.905 -9.698 -2.619 1.00 0.36 C ATOM 928 C SER A 61 -5.414 -8.962 -1.390 1.00 0.40 C ATOM 929 O SER A 61 -5.353 -9.522 -0.292 1.00 0.49 O ATOM 930 CB SER A 61 -7.363 -10.107 -2.464 1.00 0.45 C ATOM 931 OG SER A 61 -7.517 -11.157 -1.518 1.00 1.19 O ATOM 0 H SER A 61 -5.403 -11.727 -2.522 1.00 0.33 H new ATOM 0 HA SER A 61 -5.862 -9.040 -3.487 1.00 0.36 H new ATOM 0 HB2 SER A 61 -7.951 -9.245 -2.150 1.00 0.45 H new ATOM 0 HB3 SER A 61 -7.756 -10.426 -3.429 1.00 0.45 H new ATOM 0 HG SER A 61 -6.804 -11.100 -0.848 1.00 1.19 H new ATOM 937 N GLY A 62 -5.055 -7.719 -1.585 1.00 0.42 N ATOM 938 CA GLY A 62 -4.395 -6.967 -0.551 1.00 0.53 C ATOM 939 C GLY A 62 -5.357 -6.436 0.468 1.00 0.36 C ATOM 940 O GLY A 62 -5.990 -5.407 0.257 1.00 0.28 O ATOM 0 H GLY A 62 -5.209 -7.206 -2.453 1.00 0.42 H new ATOM 0 HA2 GLY A 62 -3.659 -7.601 -0.057 1.00 0.53 H new ATOM 0 HA3 GLY A 62 -3.850 -6.137 -1.000 1.00 0.53 H new ATOM 944 N ASP A 63 -5.474 -7.139 1.575 1.00 0.39 N ATOM 945 CA ASP A 63 -6.257 -6.665 2.702 1.00 0.35 C ATOM 946 C ASP A 63 -5.390 -5.738 3.544 1.00 0.28 C ATOM 947 O ASP A 63 -5.571 -5.596 4.752 1.00 0.36 O ATOM 948 CB ASP A 63 -6.749 -7.844 3.539 1.00 0.53 C ATOM 949 CG ASP A 63 -5.608 -8.635 4.152 1.00 1.59 C ATOM 950 OD1 ASP A 63 -4.812 -9.227 3.396 1.00 2.10 O ATOM 951 OD2 ASP A 63 -5.498 -8.669 5.397 1.00 2.41 O ATOM 0 H ASP A 63 -5.034 -8.048 1.721 1.00 0.39 H new ATOM 0 HA ASP A 63 -7.130 -6.121 2.342 1.00 0.35 H new ATOM 0 HB2 ASP A 63 -7.400 -7.476 4.332 1.00 0.53 H new ATOM 0 HB3 ASP A 63 -7.350 -8.504 2.914 1.00 0.53 H new ATOM 956 N GLY A 64 -4.449 -5.109 2.867 1.00 0.19 N ATOM 957 CA GLY A 64 -3.491 -4.244 3.513 1.00 0.17 C ATOM 958 C GLY A 64 -3.399 -2.932 2.778 1.00 0.14 C ATOM 959 O GLY A 64 -2.412 -2.213 2.857 1.00 0.20 O ATOM 0 H GLY A 64 -4.330 -5.185 1.857 1.00 0.19 H new ATOM 0 HA2 GLY A 64 -3.786 -4.070 4.548 1.00 0.17 H new ATOM 0 HA3 GLY A 64 -2.513 -4.725 3.537 1.00 0.17 H new ATOM 963 N CYS A 65 -4.436 -2.647 2.031 1.00 0.16 N ATOM 964 CA CYS A 65 -4.551 -1.398 1.315 1.00 0.19 C ATOM 965 C CYS A 65 -5.453 -0.488 2.111 1.00 0.20 C ATOM 966 O CYS A 65 -6.176 -0.947 2.983 1.00 0.28 O ATOM 967 CB CYS A 65 -5.158 -1.663 -0.061 1.00 0.20 C ATOM 968 SG CYS A 65 -4.401 -3.059 -0.920 1.00 0.30 S ATOM 0 H CYS A 65 -5.228 -3.276 1.901 1.00 0.16 H new ATOM 0 HA CYS A 65 -3.574 -0.934 1.184 1.00 0.19 H new ATOM 0 HB2 CYS A 65 -6.226 -1.850 0.051 1.00 0.20 H new ATOM 0 HB3 CYS A 65 -5.054 -0.768 -0.675 1.00 0.20 H new ATOM 0 HG CYS A 65 -4.964 -4.164 -0.532 1.00 0.30 H new ATOM 974 N VAL A 66 -5.405 0.783 1.836 1.00 0.23 N ATOM 975 CA VAL A 66 -6.312 1.710 2.465 1.00 0.20 C ATOM 976 C VAL A 66 -7.231 2.295 1.419 1.00 0.20 C ATOM 977 O VAL A 66 -6.854 2.467 0.263 1.00 0.25 O ATOM 978 CB VAL A 66 -5.561 2.821 3.222 1.00 0.20 C ATOM 979 CG1 VAL A 66 -4.383 3.297 2.407 1.00 0.20 C ATOM 980 CG2 VAL A 66 -6.471 3.984 3.559 1.00 0.20 C ATOM 0 H VAL A 66 -4.748 1.206 1.180 1.00 0.23 H new ATOM 0 HA VAL A 66 -6.902 1.169 3.205 1.00 0.20 H new ATOM 0 HB VAL A 66 -5.203 2.401 4.162 1.00 0.20 H new ATOM 0 HG11 VAL A 66 -3.858 4.083 2.951 1.00 0.20 H new ATOM 0 HG12 VAL A 66 -3.704 2.464 2.228 1.00 0.20 H new ATOM 0 HG13 VAL A 66 -4.735 3.689 1.453 1.00 0.20 H new ATOM 0 HG21 VAL A 66 -5.904 4.747 4.093 1.00 0.20 H new ATOM 0 HG22 VAL A 66 -6.875 4.408 2.640 1.00 0.20 H new ATOM 0 HG23 VAL A 66 -7.290 3.635 4.188 1.00 0.20 H new ATOM 990 N ASP A 67 -8.440 2.567 1.829 1.00 0.18 N ATOM 991 CA ASP A 67 -9.445 3.092 0.931 1.00 0.23 C ATOM 992 C ASP A 67 -9.293 4.613 0.878 1.00 0.24 C ATOM 993 O ASP A 67 -8.190 5.117 1.080 1.00 0.26 O ATOM 994 CB ASP A 67 -10.823 2.657 1.419 1.00 0.29 C ATOM 995 CG ASP A 67 -11.905 2.851 0.377 1.00 0.85 C ATOM 996 OD1 ASP A 67 -12.013 2.016 -0.530 1.00 1.49 O ATOM 997 OD2 ASP A 67 -12.659 3.843 0.470 1.00 1.04 O ATOM 0 H ASP A 67 -8.760 2.434 2.788 1.00 0.18 H new ATOM 0 HA ASP A 67 -9.323 2.705 -0.081 1.00 0.23 H new ATOM 0 HB2 ASP A 67 -10.786 1.606 1.706 1.00 0.29 H new ATOM 0 HB3 ASP A 67 -11.082 3.223 2.314 1.00 0.29 H new ATOM 1002 N ASP A 68 -10.356 5.351 0.602 1.00 0.28 N ATOM 1003 CA ASP A 68 -10.239 6.813 0.598 1.00 0.32 C ATOM 1004 C ASP A 68 -10.055 7.319 2.019 1.00 0.33 C ATOM 1005 O ASP A 68 -9.351 8.289 2.251 1.00 0.73 O ATOM 1006 CB ASP A 68 -11.420 7.524 -0.089 1.00 0.45 C ATOM 1007 CG ASP A 68 -12.788 7.084 0.394 1.00 1.28 C ATOM 1008 OD1 ASP A 68 -13.100 7.318 1.582 1.00 2.10 O ATOM 1009 OD2 ASP A 68 -13.535 6.461 -0.388 1.00 1.41 O ATOM 0 H ASP A 68 -11.283 4.985 0.384 1.00 0.28 H new ATOM 0 HA ASP A 68 -9.360 7.058 0.002 1.00 0.32 H new ATOM 0 HB2 ASP A 68 -11.322 8.598 0.068 1.00 0.45 H new ATOM 0 HB3 ASP A 68 -11.356 7.352 -1.163 1.00 0.45 H new ATOM 1014 N CYS A 69 -10.668 6.648 2.971 1.00 0.32 N ATOM 1015 CA CYS A 69 -10.426 6.934 4.363 1.00 0.28 C ATOM 1016 C CYS A 69 -9.416 5.928 4.885 1.00 0.24 C ATOM 1017 O CYS A 69 -9.268 4.849 4.306 1.00 0.23 O ATOM 1018 CB CYS A 69 -11.725 6.807 5.141 1.00 0.40 C ATOM 1019 SG CYS A 69 -13.089 7.746 4.440 1.00 1.49 S ATOM 0 H CYS A 69 -11.339 5.899 2.802 1.00 0.32 H new ATOM 0 HA CYS A 69 -10.042 7.947 4.481 1.00 0.28 H new ATOM 0 HB2 CYS A 69 -12.007 5.755 5.188 1.00 0.40 H new ATOM 0 HB3 CYS A 69 -11.557 7.139 6.166 1.00 0.40 H new ATOM 0 HG CYS A 69 -12.937 7.837 3.152 1.00 1.49 H new ATOM 1025 N GLY A 70 -8.747 6.245 5.985 1.00 0.25 N ATOM 1026 CA GLY A 70 -7.722 5.358 6.487 1.00 0.25 C ATOM 1027 C GLY A 70 -8.308 4.169 7.211 1.00 0.28 C ATOM 1028 O GLY A 70 -8.258 4.078 8.436 1.00 0.36 O ATOM 0 H GLY A 70 -8.895 7.093 6.533 1.00 0.25 H new ATOM 0 HA2 GLY A 70 -7.106 5.010 5.658 1.00 0.25 H new ATOM 0 HA3 GLY A 70 -7.066 5.907 7.163 1.00 0.25 H new ATOM 1032 N SER A 71 -8.881 3.274 6.433 1.00 0.25 N ATOM 1033 CA SER A 71 -9.337 1.986 6.897 1.00 0.28 C ATOM 1034 C SER A 71 -8.957 0.966 5.838 1.00 0.25 C ATOM 1035 O SER A 71 -9.165 1.213 4.644 1.00 0.24 O ATOM 1036 CB SER A 71 -10.846 2.011 7.124 1.00 0.34 C ATOM 1037 OG SER A 71 -11.303 0.815 7.733 1.00 1.10 O ATOM 0 H SER A 71 -9.045 3.428 5.438 1.00 0.25 H new ATOM 0 HA SER A 71 -8.875 1.726 7.849 1.00 0.28 H new ATOM 0 HB2 SER A 71 -11.106 2.862 7.753 1.00 0.34 H new ATOM 0 HB3 SER A 71 -11.355 2.152 6.171 1.00 0.34 H new ATOM 0 HG SER A 71 -12.273 0.865 7.865 1.00 1.10 H new ATOM 1043 N MET A 72 -8.389 -0.157 6.246 1.00 0.32 N ATOM 1044 CA MET A 72 -7.843 -1.098 5.287 1.00 0.30 C ATOM 1045 C MET A 72 -8.917 -1.724 4.406 1.00 0.30 C ATOM 1046 O MET A 72 -9.849 -2.372 4.881 1.00 0.46 O ATOM 1047 CB MET A 72 -6.995 -2.164 5.959 1.00 0.36 C ATOM 1048 CG MET A 72 -7.714 -2.833 7.083 1.00 0.85 C ATOM 1049 SD MET A 72 -7.054 -4.459 7.504 1.00 1.03 S ATOM 1050 CE MET A 72 -5.388 -4.034 8.004 1.00 1.68 C ATOM 0 H MET A 72 -8.295 -0.435 7.223 1.00 0.32 H new ATOM 0 HA MET A 72 -7.191 -0.520 4.632 1.00 0.30 H new ATOM 0 HB2 MET A 72 -6.703 -2.911 5.221 1.00 0.36 H new ATOM 0 HB3 MET A 72 -6.077 -1.712 6.335 1.00 0.36 H new ATOM 0 HG2 MET A 72 -7.667 -2.193 7.964 1.00 0.85 H new ATOM 0 HG3 MET A 72 -8.767 -2.936 6.819 1.00 0.85 H new ATOM 0 HE1 MET A 72 -4.876 -4.928 8.361 1.00 1.68 H new ATOM 0 HE2 MET A 72 -4.847 -3.621 7.153 1.00 1.68 H new ATOM 0 HE3 MET A 72 -5.426 -3.294 8.803 1.00 1.68 H new ATOM 1060 N THR A 73 -8.770 -1.489 3.113 1.00 0.21 N ATOM 1061 CA THR A 73 -9.647 -2.043 2.108 1.00 0.19 C ATOM 1062 C THR A 73 -8.902 -3.140 1.357 1.00 0.18 C ATOM 1063 O THR A 73 -7.674 -3.109 1.270 1.00 0.19 O ATOM 1064 CB THR A 73 -10.124 -0.953 1.120 1.00 0.21 C ATOM 1065 OG1 THR A 73 -11.152 -1.472 0.263 1.00 0.26 O ATOM 1066 CG2 THR A 73 -8.966 -0.434 0.277 1.00 0.22 C ATOM 0 H THR A 73 -8.029 -0.901 2.732 1.00 0.21 H new ATOM 0 HA THR A 73 -10.530 -2.456 2.596 1.00 0.19 H new ATOM 0 HB THR A 73 -10.526 -0.125 1.704 1.00 0.21 H new ATOM 0 HG1 THR A 73 -11.446 -0.772 -0.356 1.00 0.26 H new ATOM 0 HG21 THR A 73 -9.330 0.331 -0.409 1.00 0.22 H new ATOM 0 HG22 THR A 73 -8.205 -0.005 0.929 1.00 0.22 H new ATOM 0 HG23 THR A 73 -8.534 -1.256 -0.293 1.00 0.22 H new ATOM 1074 N SER A 74 -9.621 -4.116 0.841 1.00 0.27 N ATOM 1075 CA SER A 74 -8.993 -5.195 0.124 1.00 0.30 C ATOM 1076 C SER A 74 -8.872 -4.872 -1.365 1.00 0.35 C ATOM 1077 O SER A 74 -9.868 -4.718 -2.071 1.00 0.47 O ATOM 1078 CB SER A 74 -9.775 -6.484 0.355 1.00 0.37 C ATOM 1079 OG SER A 74 -11.166 -6.280 0.184 1.00 1.25 O ATOM 0 H SER A 74 -10.637 -4.180 0.907 1.00 0.27 H new ATOM 0 HA SER A 74 -7.980 -5.330 0.502 1.00 0.30 H new ATOM 0 HB2 SER A 74 -9.430 -7.251 -0.339 1.00 0.37 H new ATOM 0 HB3 SER A 74 -9.581 -6.854 1.362 1.00 0.37 H new ATOM 0 HG SER A 74 -11.320 -5.717 -0.604 1.00 1.25 H new ATOM 1085 N CYS A 75 -7.636 -4.762 -1.819 1.00 0.30 N ATOM 1086 CA CYS A 75 -7.322 -4.447 -3.213 1.00 0.35 C ATOM 1087 C CYS A 75 -6.086 -5.235 -3.633 1.00 0.33 C ATOM 1088 O CYS A 75 -5.136 -5.332 -2.868 1.00 0.43 O ATOM 1089 CB CYS A 75 -7.085 -2.944 -3.366 1.00 0.39 C ATOM 1090 SG CYS A 75 -6.582 -2.425 -5.023 1.00 1.40 S ATOM 0 H CYS A 75 -6.812 -4.889 -1.231 1.00 0.30 H new ATOM 0 HA CYS A 75 -8.157 -4.726 -3.855 1.00 0.35 H new ATOM 0 HB2 CYS A 75 -8.000 -2.416 -3.097 1.00 0.39 H new ATOM 0 HB3 CYS A 75 -6.318 -2.636 -2.655 1.00 0.39 H new ATOM 0 HG CYS A 75 -6.411 -1.136 -5.041 1.00 1.40 H new ATOM 1096 N ARG A 76 -6.100 -5.796 -4.841 1.00 0.27 N ATOM 1097 CA ARG A 76 -5.083 -6.768 -5.247 1.00 0.26 C ATOM 1098 C ARG A 76 -3.675 -6.198 -5.267 1.00 0.22 C ATOM 1099 O ARG A 76 -3.370 -5.250 -5.980 1.00 0.25 O ATOM 1100 CB ARG A 76 -5.427 -7.404 -6.588 1.00 0.33 C ATOM 1101 CG ARG A 76 -6.420 -8.531 -6.444 1.00 0.39 C ATOM 1102 CD ARG A 76 -7.824 -8.000 -6.323 1.00 0.79 C ATOM 1103 NE ARG A 76 -8.679 -8.432 -7.425 1.00 1.01 N ATOM 1104 CZ ARG A 76 -9.995 -8.235 -7.473 1.00 1.61 C ATOM 1105 NH1 ARG A 76 -10.612 -7.567 -6.506 1.00 2.21 N ATOM 1106 NH2 ARG A 76 -10.688 -8.696 -8.505 1.00 1.87 N ATOM 0 H ARG A 76 -6.801 -5.596 -5.554 1.00 0.27 H new ATOM 0 HA ARG A 76 -5.091 -7.542 -4.480 1.00 0.26 H new ATOM 0 HB2 ARG A 76 -5.836 -6.645 -7.255 1.00 0.33 H new ATOM 0 HB3 ARG A 76 -4.517 -7.781 -7.054 1.00 0.33 H new ATOM 0 HG2 ARG A 76 -6.351 -9.194 -7.307 1.00 0.39 H new ATOM 0 HG3 ARG A 76 -6.175 -9.126 -5.564 1.00 0.39 H new ATOM 0 HD2 ARG A 76 -8.256 -8.334 -5.379 1.00 0.79 H new ATOM 0 HD3 ARG A 76 -7.796 -6.911 -6.293 1.00 0.79 H new ATOM 0 HE ARG A 76 -8.240 -8.916 -8.208 1.00 1.01 H new ATOM 0 HH11 ARG A 76 -10.078 -7.200 -5.718 1.00 2.21 H new ATOM 0 HH12 ARG A 76 -11.620 -7.421 -6.551 1.00 2.21 H new ATOM 0 HH21 ARG A 76 -10.213 -9.198 -9.255 1.00 1.87 H new ATOM 0 HH22 ARG A 76 -11.696 -8.549 -8.549 1.00 1.87 H new ATOM 1120 N GLY A 77 -2.849 -6.787 -4.422 1.00 0.19 N ATOM 1121 CA GLY A 77 -1.454 -6.430 -4.311 1.00 0.19 C ATOM 1122 C GLY A 77 -1.001 -6.666 -2.898 1.00 0.24 C ATOM 1123 O GLY A 77 -1.487 -6.005 -1.996 1.00 0.59 O ATOM 0 H GLY A 77 -3.134 -7.534 -3.789 1.00 0.19 H new ATOM 0 HA2 GLY A 77 -0.857 -7.025 -5.002 1.00 0.19 H new ATOM 0 HA3 GLY A 77 -1.310 -5.384 -4.583 1.00 0.19 H new ATOM 1127 N SER A 78 -0.121 -7.624 -2.679 1.00 0.20 N ATOM 1128 CA SER A 78 0.323 -7.915 -1.321 1.00 0.17 C ATOM 1129 C SER A 78 1.531 -8.814 -1.289 1.00 0.20 C ATOM 1130 O SER A 78 1.752 -9.621 -2.187 1.00 0.26 O ATOM 1131 CB SER A 78 -0.818 -8.550 -0.522 1.00 0.20 C ATOM 1132 OG SER A 78 -1.302 -7.674 0.485 1.00 0.73 O ATOM 0 H SER A 78 0.296 -8.206 -3.405 1.00 0.20 H new ATOM 0 HA SER A 78 0.612 -6.967 -0.868 1.00 0.17 H new ATOM 0 HB2 SER A 78 -1.632 -8.815 -1.197 1.00 0.20 H new ATOM 0 HB3 SER A 78 -0.470 -9.476 -0.063 1.00 0.20 H new ATOM 0 HG SER A 78 -1.045 -8.016 1.367 1.00 0.73 H new ATOM 1138 N VAL A 79 2.302 -8.653 -0.231 1.00 0.18 N ATOM 1139 CA VAL A 79 3.515 -9.407 -0.039 1.00 0.20 C ATOM 1140 C VAL A 79 3.199 -10.817 0.451 1.00 0.27 C ATOM 1141 O VAL A 79 2.964 -11.040 1.640 1.00 0.33 O ATOM 1142 CB VAL A 79 4.447 -8.688 0.953 1.00 0.23 C ATOM 1143 CG1 VAL A 79 5.687 -9.512 1.254 1.00 0.31 C ATOM 1144 CG2 VAL A 79 4.843 -7.328 0.406 1.00 0.25 C ATOM 0 H VAL A 79 2.100 -7.992 0.519 1.00 0.18 H new ATOM 0 HA VAL A 79 4.026 -9.483 -0.999 1.00 0.20 H new ATOM 0 HB VAL A 79 3.901 -8.556 1.887 1.00 0.23 H new ATOM 0 HG11 VAL A 79 6.321 -8.972 1.958 1.00 0.31 H new ATOM 0 HG12 VAL A 79 5.392 -10.467 1.690 1.00 0.31 H new ATOM 0 HG13 VAL A 79 6.239 -9.689 0.331 1.00 0.31 H new ATOM 0 HG21 VAL A 79 5.502 -6.828 1.116 1.00 0.25 H new ATOM 0 HG22 VAL A 79 5.362 -7.455 -0.544 1.00 0.25 H new ATOM 0 HG23 VAL A 79 3.949 -6.723 0.253 1.00 0.25 H new ATOM 1154 N SER A 80 3.164 -11.757 -0.481 1.00 0.33 N ATOM 1155 CA SER A 80 2.901 -13.148 -0.161 1.00 0.41 C ATOM 1156 C SER A 80 4.103 -13.753 0.561 1.00 0.43 C ATOM 1157 O SER A 80 4.036 -14.078 1.753 1.00 0.97 O ATOM 1158 CB SER A 80 2.589 -13.914 -1.447 1.00 0.48 C ATOM 1159 OG SER A 80 3.568 -13.661 -2.441 1.00 0.96 O ATOM 0 H SER A 80 3.316 -11.577 -1.473 1.00 0.33 H new ATOM 0 HA SER A 80 2.039 -13.217 0.503 1.00 0.41 H new ATOM 0 HB2 SER A 80 2.547 -14.983 -1.237 1.00 0.48 H new ATOM 0 HB3 SER A 80 1.606 -13.624 -1.818 1.00 0.48 H new ATOM 0 HG SER A 80 3.347 -14.163 -3.253 1.00 0.96 H new ATOM 1165 N GLY A 81 5.198 -13.889 -0.170 1.00 0.56 N ATOM 1166 CA GLY A 81 6.440 -14.318 0.424 1.00 0.58 C ATOM 1167 C GLY A 81 7.336 -13.138 0.705 1.00 0.56 C ATOM 1168 O GLY A 81 6.998 -12.013 0.348 1.00 0.86 O ATOM 0 H GLY A 81 5.245 -13.707 -1.173 1.00 0.56 H new ATOM 0 HA2 GLY A 81 6.238 -14.856 1.350 1.00 0.58 H new ATOM 0 HA3 GLY A 81 6.947 -15.014 -0.245 1.00 0.58 H new ATOM 1172 N PRO A 82 8.492 -13.375 1.326 1.00 0.46 N ATOM 1173 CA PRO A 82 9.454 -12.326 1.679 1.00 0.41 C ATOM 1174 C PRO A 82 9.764 -11.369 0.529 1.00 0.41 C ATOM 1175 O PRO A 82 10.250 -11.781 -0.528 1.00 0.57 O ATOM 1176 CB PRO A 82 10.705 -13.108 2.063 1.00 0.48 C ATOM 1177 CG PRO A 82 10.452 -14.505 1.609 1.00 0.61 C ATOM 1178 CD PRO A 82 8.979 -14.692 1.724 1.00 0.70 C ATOM 0 HA PRO A 82 9.063 -11.685 2.469 1.00 0.41 H new ATOM 0 HB2 PRO A 82 11.591 -12.693 1.583 1.00 0.48 H new ATOM 0 HB3 PRO A 82 10.878 -13.069 3.138 1.00 0.48 H new ATOM 0 HG2 PRO A 82 10.789 -14.653 0.583 1.00 0.61 H new ATOM 0 HG3 PRO A 82 10.990 -15.224 2.228 1.00 0.61 H new ATOM 0 HD2 PRO A 82 8.612 -15.481 1.068 1.00 0.70 H new ATOM 0 HD3 PRO A 82 8.676 -14.953 2.738 1.00 0.70 H new ATOM 1186 N SER A 83 9.478 -10.093 0.748 1.00 0.36 N ATOM 1187 CA SER A 83 9.773 -9.056 -0.229 1.00 0.37 C ATOM 1188 C SER A 83 11.050 -8.317 0.141 1.00 0.35 C ATOM 1189 O SER A 83 11.193 -7.816 1.260 1.00 0.45 O ATOM 1190 CB SER A 83 8.610 -8.072 -0.326 1.00 0.44 C ATOM 1191 OG SER A 83 7.476 -8.694 -0.897 1.00 1.45 O ATOM 0 H SER A 83 9.038 -9.750 1.602 1.00 0.36 H new ATOM 0 HA SER A 83 9.916 -9.532 -1.199 1.00 0.37 H new ATOM 0 HB2 SER A 83 8.363 -7.694 0.666 1.00 0.44 H new ATOM 0 HB3 SER A 83 8.903 -7.213 -0.930 1.00 0.44 H new ATOM 0 HG SER A 83 7.643 -9.655 -0.991 1.00 1.45 H new ATOM 1197 N THR A 84 11.972 -8.250 -0.810 1.00 0.33 N ATOM 1198 CA THR A 84 13.239 -7.581 -0.595 1.00 0.34 C ATOM 1199 C THR A 84 13.115 -6.080 -0.784 1.00 0.23 C ATOM 1200 O THR A 84 13.526 -5.316 0.091 1.00 0.21 O ATOM 1201 CB THR A 84 14.347 -8.125 -1.505 1.00 0.46 C ATOM 1202 OG1 THR A 84 13.787 -8.805 -2.640 1.00 0.91 O ATOM 1203 CG2 THR A 84 15.249 -9.068 -0.720 1.00 0.67 C ATOM 0 H THR A 84 11.861 -8.654 -1.740 1.00 0.33 H new ATOM 0 HA THR A 84 13.518 -7.787 0.438 1.00 0.34 H new ATOM 0 HB THR A 84 14.939 -7.285 -1.868 1.00 0.46 H new ATOM 0 HG1 THR A 84 13.105 -8.238 -3.058 1.00 0.91 H new ATOM 0 HG21 THR A 84 16.033 -9.450 -1.374 1.00 0.67 H new ATOM 0 HG22 THR A 84 15.701 -8.530 0.113 1.00 0.67 H new ATOM 0 HG23 THR A 84 14.659 -9.900 -0.336 1.00 0.67 H new ATOM 1211 N SER A 85 12.550 -5.642 -1.910 1.00 0.21 N ATOM 1212 CA SER A 85 12.276 -4.226 -2.065 1.00 0.25 C ATOM 1213 C SER A 85 11.259 -3.814 -1.027 1.00 0.29 C ATOM 1214 O SER A 85 10.092 -4.202 -1.130 1.00 0.61 O ATOM 1215 CB SER A 85 11.700 -3.840 -3.435 1.00 0.50 C ATOM 1216 OG SER A 85 10.772 -2.783 -3.249 1.00 1.76 O ATOM 0 H SER A 85 12.283 -6.230 -2.700 1.00 0.21 H new ATOM 0 HA SER A 85 13.236 -3.721 -1.955 1.00 0.25 H new ATOM 0 HB2 SER A 85 12.499 -3.529 -4.108 1.00 0.50 H new ATOM 0 HB3 SER A 85 11.210 -4.698 -3.896 1.00 0.50 H new ATOM 0 HG SER A 85 11.181 -1.936 -3.526 1.00 1.76 H new ATOM 1222 N HIS A 86 11.668 -3.039 -0.044 1.00 0.19 N ATOM 1223 CA HIS A 86 10.712 -2.532 0.907 1.00 0.20 C ATOM 1224 C HIS A 86 11.323 -1.545 1.888 1.00 0.20 C ATOM 1225 O HIS A 86 12.435 -1.732 2.378 1.00 0.25 O ATOM 1226 CB HIS A 86 10.028 -3.682 1.643 1.00 0.26 C ATOM 1227 CG HIS A 86 10.862 -4.336 2.707 1.00 0.27 C ATOM 1228 ND1 HIS A 86 11.988 -5.079 2.434 1.00 0.29 N ATOM 1229 CD2 HIS A 86 10.730 -4.344 4.053 1.00 0.50 C ATOM 1230 CE1 HIS A 86 12.510 -5.515 3.560 1.00 0.30 C ATOM 1231 NE2 HIS A 86 11.769 -5.083 4.563 1.00 0.44 N ATOM 0 H HIS A 86 12.635 -2.753 0.113 1.00 0.19 H new ATOM 0 HA HIS A 86 9.963 -1.979 0.340 1.00 0.20 H new ATOM 0 HB2 HIS A 86 9.111 -3.308 2.099 1.00 0.26 H new ATOM 0 HB3 HIS A 86 9.736 -4.438 0.914 1.00 0.26 H new ATOM 0 HD1 HIS A 86 12.360 -5.263 1.502 1.00 0.29 H new ATOM 0 HD2 HIS A 86 9.951 -3.859 4.622 1.00 0.50 H new ATOM 0 HE1 HIS A 86 13.397 -6.125 3.649 1.00 0.30 H new ATOM 1240 N LEU A 87 10.573 -0.491 2.151 1.00 0.19 N ATOM 1241 CA LEU A 87 10.918 0.473 3.180 1.00 0.19 C ATOM 1242 C LEU A 87 9.827 0.490 4.233 1.00 0.18 C ATOM 1243 O LEU A 87 8.669 0.753 3.915 1.00 0.18 O ATOM 1244 CB LEU A 87 11.072 1.879 2.594 1.00 0.21 C ATOM 1245 CG LEU A 87 12.295 2.086 1.705 1.00 0.23 C ATOM 1246 CD1 LEU A 87 11.949 1.818 0.252 1.00 0.38 C ATOM 1247 CD2 LEU A 87 12.854 3.487 1.887 1.00 0.58 C ATOM 0 H LEU A 87 9.706 -0.279 1.657 1.00 0.19 H new ATOM 0 HA LEU A 87 11.870 0.178 3.621 1.00 0.19 H new ATOM 0 HB2 LEU A 87 10.179 2.113 2.015 1.00 0.21 H new ATOM 0 HB3 LEU A 87 11.115 2.594 3.415 1.00 0.21 H new ATOM 0 HG LEU A 87 13.066 1.375 2.002 1.00 0.23 H new ATOM 0 HD11 LEU A 87 12.833 1.971 -0.367 1.00 0.38 H new ATOM 0 HD12 LEU A 87 11.604 0.790 0.144 1.00 0.38 H new ATOM 0 HD13 LEU A 87 11.161 2.501 -0.066 1.00 0.38 H new ATOM 0 HD21 LEU A 87 13.726 3.617 1.246 1.00 0.58 H new ATOM 0 HD22 LEU A 87 12.093 4.220 1.619 1.00 0.58 H new ATOM 0 HD23 LEU A 87 13.145 3.630 2.928 1.00 0.58 H new ATOM 1259 N THR A 88 10.176 0.205 5.473 1.00 0.17 N ATOM 1260 CA THR A 88 9.193 0.240 6.538 1.00 0.15 C ATOM 1261 C THR A 88 8.967 1.671 6.973 1.00 0.18 C ATOM 1262 O THR A 88 9.691 2.197 7.816 1.00 0.22 O ATOM 1263 CB THR A 88 9.613 -0.593 7.762 1.00 0.17 C ATOM 1264 OG1 THR A 88 10.102 -1.877 7.350 1.00 0.21 O ATOM 1265 CG2 THR A 88 8.446 -0.777 8.715 1.00 0.18 C ATOM 0 H THR A 88 11.119 -0.050 5.765 1.00 0.17 H new ATOM 0 HA THR A 88 8.276 -0.195 6.140 1.00 0.15 H new ATOM 0 HB THR A 88 10.408 -0.054 8.278 1.00 0.17 H new ATOM 0 HG1 THR A 88 10.880 -2.120 7.893 1.00 0.21 H new ATOM 0 HG21 THR A 88 8.766 -1.369 9.573 1.00 0.18 H new ATOM 0 HG22 THR A 88 8.098 0.198 9.056 1.00 0.18 H new ATOM 0 HG23 THR A 88 7.635 -1.292 8.201 1.00 0.18 H new ATOM 1273 N ARG A 89 7.985 2.318 6.372 1.00 0.19 N ATOM 1274 CA ARG A 89 7.577 3.626 6.834 1.00 0.25 C ATOM 1275 C ARG A 89 6.098 3.591 7.191 1.00 0.20 C ATOM 1276 O ARG A 89 5.289 4.277 6.578 1.00 0.24 O ATOM 1277 CB ARG A 89 7.805 4.651 5.721 1.00 0.38 C ATOM 1278 CG ARG A 89 9.179 4.581 5.080 1.00 0.33 C ATOM 1279 CD ARG A 89 10.205 5.397 5.844 1.00 1.12 C ATOM 1280 NE ARG A 89 11.409 5.653 5.052 1.00 1.99 N ATOM 1281 CZ ARG A 89 12.455 6.355 5.496 1.00 2.70 C ATOM 1282 NH1 ARG A 89 12.502 6.748 6.765 1.00 2.77 N ATOM 1283 NH2 ARG A 89 13.464 6.646 4.680 1.00 3.65 N ATOM 0 H ARG A 89 7.462 1.962 5.572 1.00 0.19 H new ATOM 0 HA ARG A 89 8.161 3.904 7.711 1.00 0.25 H new ATOM 0 HB2 ARG A 89 7.049 4.506 4.949 1.00 0.38 H new ATOM 0 HB3 ARG A 89 7.657 5.651 6.128 1.00 0.38 H new ATOM 0 HG2 ARG A 89 9.505 3.542 5.033 1.00 0.33 H new ATOM 0 HG3 ARG A 89 9.119 4.943 4.054 1.00 0.33 H new ATOM 0 HD2 ARG A 89 9.761 6.346 6.144 1.00 1.12 H new ATOM 0 HD3 ARG A 89 10.479 4.870 6.758 1.00 1.12 H new ATOM 0 HE ARG A 89 11.452 5.273 4.106 1.00 1.99 H new ATOM 0 HH11 ARG A 89 11.739 6.513 7.400 1.00 2.77 H new ATOM 0 HH12 ARG A 89 13.301 7.284 7.104 1.00 2.77 H new ATOM 0 HH21 ARG A 89 13.442 6.333 3.710 1.00 3.65 H new ATOM 0 HH22 ARG A 89 14.260 7.182 5.025 1.00 3.65 H new ATOM 1297 N PRO A 90 5.728 2.851 8.241 1.00 0.15 N ATOM 1298 CA PRO A 90 4.335 2.717 8.630 1.00 0.14 C ATOM 1299 C PRO A 90 3.849 3.955 9.354 1.00 0.16 C ATOM 1300 O PRO A 90 2.654 4.252 9.391 1.00 0.25 O ATOM 1301 CB PRO A 90 4.316 1.486 9.542 1.00 0.13 C ATOM 1302 CG PRO A 90 5.710 0.943 9.557 1.00 0.14 C ATOM 1303 CD PRO A 90 6.610 2.038 9.079 1.00 0.15 C ATOM 0 HA PRO A 90 3.670 2.604 7.774 1.00 0.14 H new ATOM 0 HB2 PRO A 90 3.994 1.754 10.548 1.00 0.13 H new ATOM 0 HB3 PRO A 90 3.614 0.740 9.171 1.00 0.13 H new ATOM 0 HG2 PRO A 90 5.989 0.625 10.561 1.00 0.14 H new ATOM 0 HG3 PRO A 90 5.790 0.068 8.912 1.00 0.14 H new ATOM 0 HD2 PRO A 90 7.021 2.613 9.909 1.00 0.15 H new ATOM 0 HD3 PRO A 90 7.456 1.647 8.513 1.00 0.15 H new ATOM 1311 N SER A 91 4.800 4.679 9.907 1.00 0.16 N ATOM 1312 CA SER A 91 4.546 5.958 10.527 1.00 0.18 C ATOM 1313 C SER A 91 4.208 7.000 9.471 1.00 0.21 C ATOM 1314 O SER A 91 3.315 7.830 9.654 1.00 0.33 O ATOM 1315 CB SER A 91 5.795 6.377 11.295 1.00 0.27 C ATOM 1316 OG SER A 91 6.952 5.785 10.715 1.00 1.21 O ATOM 0 H SER A 91 5.778 4.392 9.938 1.00 0.16 H new ATOM 0 HA SER A 91 3.698 5.877 11.207 1.00 0.18 H new ATOM 0 HB2 SER A 91 5.890 7.463 11.285 1.00 0.27 H new ATOM 0 HB3 SER A 91 5.707 6.074 12.339 1.00 0.27 H new ATOM 0 HG SER A 91 7.747 6.063 11.216 1.00 1.21 H new ATOM 1322 N GLU A 92 4.913 6.926 8.352 1.00 0.17 N ATOM 1323 CA GLU A 92 4.832 7.952 7.332 1.00 0.20 C ATOM 1324 C GLU A 92 3.765 7.628 6.282 1.00 0.21 C ATOM 1325 O GLU A 92 3.176 8.534 5.702 1.00 0.33 O ATOM 1326 CB GLU A 92 6.201 8.142 6.689 1.00 0.30 C ATOM 1327 CG GLU A 92 6.390 9.502 6.036 1.00 0.99 C ATOM 1328 CD GLU A 92 6.284 10.649 7.016 1.00 1.98 C ATOM 1329 OE1 GLU A 92 7.296 10.986 7.658 1.00 2.78 O ATOM 1330 OE2 GLU A 92 5.175 11.211 7.159 1.00 2.37 O ATOM 0 H GLU A 92 5.550 6.161 8.130 1.00 0.17 H new ATOM 0 HA GLU A 92 4.530 8.886 7.806 1.00 0.20 H new ATOM 0 HB2 GLU A 92 6.971 8.004 7.448 1.00 0.30 H new ATOM 0 HB3 GLU A 92 6.350 7.365 5.939 1.00 0.30 H new ATOM 0 HG2 GLU A 92 7.366 9.534 5.552 1.00 0.99 H new ATOM 0 HG3 GLU A 92 5.642 9.630 5.253 1.00 0.99 H new ATOM 1337 N LEU A 93 3.509 6.342 6.029 1.00 0.17 N ATOM 1338 CA LEU A 93 2.393 5.965 5.158 1.00 0.18 C ATOM 1339 C LEU A 93 1.077 6.393 5.791 1.00 0.17 C ATOM 1340 O LEU A 93 0.271 7.082 5.174 1.00 0.19 O ATOM 1341 CB LEU A 93 2.353 4.455 4.873 1.00 0.19 C ATOM 1342 CG LEU A 93 3.109 3.959 3.627 1.00 0.21 C ATOM 1343 CD1 LEU A 93 2.702 4.757 2.405 1.00 0.15 C ATOM 1344 CD2 LEU A 93 4.616 4.025 3.807 1.00 0.33 C ATOM 0 H LEU A 93 4.045 5.560 6.405 1.00 0.17 H new ATOM 0 HA LEU A 93 2.542 6.476 4.207 1.00 0.18 H new ATOM 0 HB2 LEU A 93 2.755 3.935 5.743 1.00 0.19 H new ATOM 0 HB3 LEU A 93 1.309 4.156 4.777 1.00 0.19 H new ATOM 0 HG LEU A 93 2.837 2.913 3.485 1.00 0.21 H new ATOM 0 HD11 LEU A 93 3.247 4.392 1.534 1.00 0.15 H new ATOM 0 HD12 LEU A 93 1.631 4.644 2.237 1.00 0.15 H new ATOM 0 HD13 LEU A 93 2.935 5.810 2.564 1.00 0.15 H new ATOM 0 HD21 LEU A 93 5.107 3.665 2.903 1.00 0.33 H new ATOM 0 HD22 LEU A 93 4.915 5.056 3.996 1.00 0.33 H new ATOM 0 HD23 LEU A 93 4.909 3.401 4.651 1.00 0.33 H new ATOM 1356 N GLN A 94 0.886 6.041 7.053 1.00 0.16 N ATOM 1357 CA GLN A 94 -0.365 6.349 7.737 1.00 0.18 C ATOM 1358 C GLN A 94 -0.466 7.852 7.944 1.00 0.18 C ATOM 1359 O GLN A 94 -1.542 8.400 8.171 1.00 0.20 O ATOM 1360 CB GLN A 94 -0.443 5.594 9.063 1.00 0.17 C ATOM 1361 CG GLN A 94 -1.713 4.764 9.205 1.00 0.36 C ATOM 1362 CD GLN A 94 -2.974 5.602 9.298 1.00 0.67 C ATOM 1363 OE1 GLN A 94 -4.038 5.133 8.665 1.00 1.81 O flip ATOM 1364 NE2 GLN A 94 -2.981 6.678 9.890 1.00 0.34 N flip ATOM 0 H GLN A 94 1.573 5.546 7.622 1.00 0.16 H new ATOM 0 HA GLN A 94 -1.209 6.026 7.127 1.00 0.18 H new ATOM 0 HB2 GLN A 94 0.424 4.939 9.153 1.00 0.17 H new ATOM 0 HB3 GLN A 94 -0.389 6.308 9.885 1.00 0.17 H new ATOM 0 HG2 GLN A 94 -1.795 4.091 8.352 1.00 0.36 H new ATOM 0 HG3 GLN A 94 -1.633 4.141 10.096 1.00 0.36 H new ATOM 0 HE21 GLN A 94 -2.140 7.004 10.366 1.00 0.34 H new ATOM 0 HE22 GLN A 94 -3.828 7.246 9.906 1.00 0.34 H new ATOM 1373 N ALA A 95 0.670 8.511 7.810 1.00 0.18 N ATOM 1374 CA ALA A 95 0.741 9.953 7.887 1.00 0.19 C ATOM 1375 C ALA A 95 0.050 10.596 6.707 1.00 0.15 C ATOM 1376 O ALA A 95 -0.701 11.547 6.874 1.00 0.18 O ATOM 1377 CB ALA A 95 2.171 10.407 7.911 1.00 0.21 C ATOM 0 H ALA A 95 1.569 8.058 7.645 1.00 0.18 H new ATOM 0 HA ALA A 95 0.239 10.256 8.806 1.00 0.19 H new ATOM 0 HB1 ALA A 95 2.206 11.495 7.969 1.00 0.21 H new ATOM 0 HB2 ALA A 95 2.674 9.981 8.779 1.00 0.21 H new ATOM 0 HB3 ALA A 95 2.673 10.076 7.002 1.00 0.21 H new ATOM 1383 N VAL A 96 0.313 10.087 5.508 1.00 0.11 N ATOM 1384 CA VAL A 96 -0.318 10.619 4.323 1.00 0.12 C ATOM 1385 C VAL A 96 -1.741 10.111 4.252 1.00 0.11 C ATOM 1386 O VAL A 96 -2.592 10.732 3.656 1.00 0.11 O ATOM 1387 CB VAL A 96 0.449 10.316 3.001 1.00 0.14 C ATOM 1388 CG1 VAL A 96 1.595 9.357 3.226 1.00 0.19 C ATOM 1389 CG2 VAL A 96 -0.479 9.763 1.932 1.00 0.16 C ATOM 0 H VAL A 96 0.955 9.313 5.340 1.00 0.11 H new ATOM 0 HA VAL A 96 -0.304 11.705 4.413 1.00 0.12 H new ATOM 0 HB VAL A 96 0.856 11.266 2.654 1.00 0.14 H new ATOM 0 HG11 VAL A 96 2.105 9.171 2.281 1.00 0.19 H new ATOM 0 HG12 VAL A 96 2.298 9.790 3.938 1.00 0.19 H new ATOM 0 HG13 VAL A 96 1.210 8.417 3.622 1.00 0.19 H new ATOM 0 HG21 VAL A 96 0.090 9.563 1.024 1.00 0.16 H new ATOM 0 HG22 VAL A 96 -0.932 8.838 2.287 1.00 0.16 H new ATOM 0 HG23 VAL A 96 -1.261 10.491 1.717 1.00 0.16 H new ATOM 1399 N ILE A 97 -2.007 8.984 4.882 1.00 0.11 N ATOM 1400 CA ILE A 97 -3.372 8.566 5.062 1.00 0.11 C ATOM 1401 C ILE A 97 -4.091 9.644 5.843 1.00 0.12 C ATOM 1402 O ILE A 97 -5.009 10.277 5.346 1.00 0.13 O ATOM 1403 CB ILE A 97 -3.447 7.226 5.797 1.00 0.11 C ATOM 1404 CG1 ILE A 97 -3.160 6.087 4.834 1.00 0.12 C ATOM 1405 CG2 ILE A 97 -4.802 7.042 6.437 1.00 0.12 C ATOM 1406 CD1 ILE A 97 -2.425 4.943 5.476 1.00 0.16 C ATOM 0 H ILE A 97 -1.305 8.354 5.270 1.00 0.11 H new ATOM 0 HA ILE A 97 -3.845 8.424 4.090 1.00 0.11 H new ATOM 0 HB ILE A 97 -2.694 7.221 6.585 1.00 0.11 H new ATOM 0 HG12 ILE A 97 -4.101 5.721 4.422 1.00 0.12 H new ATOM 0 HG13 ILE A 97 -2.572 6.465 3.998 1.00 0.12 H new ATOM 0 HG21 ILE A 97 -4.833 6.083 6.954 1.00 0.12 H new ATOM 0 HG22 ILE A 97 -4.979 7.845 7.152 1.00 0.12 H new ATOM 0 HG23 ILE A 97 -5.574 7.065 5.668 1.00 0.12 H new ATOM 0 HD11 ILE A 97 -2.250 4.162 4.736 1.00 0.16 H new ATOM 0 HD12 ILE A 97 -1.469 5.296 5.863 1.00 0.16 H new ATOM 0 HD13 ILE A 97 -3.022 4.541 6.294 1.00 0.16 H new ATOM 1418 N ASP A 98 -3.605 9.881 7.046 1.00 0.14 N ATOM 1419 CA ASP A 98 -4.109 10.950 7.899 1.00 0.17 C ATOM 1420 C ASP A 98 -4.117 12.307 7.176 1.00 0.17 C ATOM 1421 O ASP A 98 -5.082 13.067 7.277 1.00 0.20 O ATOM 1422 CB ASP A 98 -3.242 11.027 9.159 1.00 0.21 C ATOM 1423 CG ASP A 98 -3.531 12.246 10.011 1.00 0.67 C ATOM 1424 OD1 ASP A 98 -4.503 12.209 10.794 1.00 1.03 O ATOM 1425 OD2 ASP A 98 -2.802 13.252 9.884 1.00 0.98 O ATOM 0 H ASP A 98 -2.848 9.339 7.464 1.00 0.14 H new ATOM 0 HA ASP A 98 -5.142 10.723 8.164 1.00 0.17 H new ATOM 0 HB2 ASP A 98 -3.400 10.129 9.756 1.00 0.21 H new ATOM 0 HB3 ASP A 98 -2.191 11.036 8.869 1.00 0.21 H new ATOM 1430 N SER A 99 -3.050 12.594 6.438 1.00 0.15 N ATOM 1431 CA SER A 99 -2.888 13.885 5.772 1.00 0.16 C ATOM 1432 C SER A 99 -3.706 13.972 4.477 1.00 0.16 C ATOM 1433 O SER A 99 -4.597 14.817 4.352 1.00 0.20 O ATOM 1434 CB SER A 99 -1.405 14.136 5.488 1.00 0.18 C ATOM 1435 OG SER A 99 -1.199 15.356 4.796 1.00 0.70 O ATOM 0 H SER A 99 -2.278 11.945 6.284 1.00 0.15 H new ATOM 0 HA SER A 99 -3.267 14.657 6.441 1.00 0.16 H new ATOM 0 HB2 SER A 99 -0.853 14.154 6.428 1.00 0.18 H new ATOM 0 HB3 SER A 99 -1.004 13.312 4.898 1.00 0.18 H new ATOM 0 HG SER A 99 -0.241 15.483 4.634 1.00 0.70 H new ATOM 1441 N ASP A 100 -3.422 13.085 3.526 1.00 0.14 N ATOM 1442 CA ASP A 100 -4.072 13.101 2.230 1.00 0.16 C ATOM 1443 C ASP A 100 -5.544 12.717 2.318 1.00 0.16 C ATOM 1444 O ASP A 100 -6.262 12.846 1.347 1.00 0.18 O ATOM 1445 CB ASP A 100 -3.333 12.202 1.260 1.00 0.17 C ATOM 1446 CG ASP A 100 -2.313 12.950 0.418 1.00 0.41 C ATOM 1447 OD1 ASP A 100 -1.407 13.593 0.993 1.00 0.57 O ATOM 1448 OD2 ASP A 100 -2.416 12.909 -0.827 1.00 0.72 O ATOM 0 H ASP A 100 -2.735 12.339 3.638 1.00 0.14 H new ATOM 0 HA ASP A 100 -4.036 14.125 1.858 1.00 0.16 H new ATOM 0 HB2 ASP A 100 -2.828 11.413 1.817 1.00 0.17 H new ATOM 0 HB3 ASP A 100 -4.054 11.716 0.602 1.00 0.17 H new ATOM 1453 N LYS A 101 -5.992 12.229 3.473 1.00 0.15 N ATOM 1454 CA LYS A 101 -7.427 12.043 3.724 1.00 0.16 C ATOM 1455 C LYS A 101 -8.192 13.341 3.440 1.00 0.20 C ATOM 1456 O LYS A 101 -9.382 13.331 3.139 1.00 0.22 O ATOM 1457 CB LYS A 101 -7.651 11.658 5.175 1.00 0.16 C ATOM 1458 CG LYS A 101 -8.176 10.251 5.383 1.00 0.17 C ATOM 1459 CD LYS A 101 -7.530 9.615 6.591 1.00 0.17 C ATOM 1460 CE LYS A 101 -7.871 10.368 7.858 1.00 0.26 C ATOM 1461 NZ LYS A 101 -9.272 10.140 8.291 1.00 1.26 N ATOM 0 H LYS A 101 -5.389 11.955 4.249 1.00 0.15 H new ATOM 0 HA LYS A 101 -7.790 11.253 3.066 1.00 0.16 H new ATOM 0 HB2 LYS A 101 -6.710 11.763 5.714 1.00 0.16 H new ATOM 0 HB3 LYS A 101 -8.354 12.363 5.620 1.00 0.16 H new ATOM 0 HG2 LYS A 101 -9.258 10.276 5.514 1.00 0.17 H new ATOM 0 HG3 LYS A 101 -7.976 9.648 4.497 1.00 0.17 H new ATOM 0 HD2 LYS A 101 -7.861 8.580 6.680 1.00 0.17 H new ATOM 0 HD3 LYS A 101 -6.448 9.593 6.458 1.00 0.17 H new ATOM 0 HE2 LYS A 101 -7.193 10.061 8.654 1.00 0.26 H new ATOM 0 HE3 LYS A 101 -7.712 11.434 7.698 1.00 0.26 H new ATOM 0 HZ1 LYS A 101 -9.453 10.663 9.172 1.00 1.26 H new ATOM 0 HZ2 LYS A 101 -9.923 10.473 7.551 1.00 1.26 H new ATOM 0 HZ3 LYS A 101 -9.424 9.124 8.454 1.00 1.26 H new ATOM 1475 N SER A 102 -7.504 14.467 3.568 1.00 0.23 N ATOM 1476 CA SER A 102 -8.080 15.753 3.211 1.00 0.28 C ATOM 1477 C SER A 102 -8.281 15.820 1.697 1.00 0.30 C ATOM 1478 O SER A 102 -9.227 16.433 1.201 1.00 0.38 O ATOM 1479 CB SER A 102 -7.169 16.887 3.691 1.00 0.36 C ATOM 1480 OG SER A 102 -7.738 18.159 3.435 1.00 1.23 O ATOM 0 H SER A 102 -6.547 14.515 3.916 1.00 0.23 H new ATOM 0 HA SER A 102 -9.049 15.866 3.697 1.00 0.28 H new ATOM 0 HB2 SER A 102 -6.985 16.779 4.760 1.00 0.36 H new ATOM 0 HB3 SER A 102 -6.203 16.813 3.192 1.00 0.36 H new ATOM 0 HG SER A 102 -7.132 18.859 3.755 1.00 1.23 H new ATOM 1486 N ASN A 103 -7.395 15.149 0.974 1.00 0.27 N ATOM 1487 CA ASN A 103 -7.469 15.069 -0.476 1.00 0.29 C ATOM 1488 C ASN A 103 -8.459 13.983 -0.879 1.00 0.28 C ATOM 1489 O ASN A 103 -9.146 14.098 -1.894 1.00 0.37 O ATOM 1490 CB ASN A 103 -6.088 14.771 -1.071 1.00 0.33 C ATOM 1491 CG ASN A 103 -5.918 15.340 -2.468 1.00 0.37 C ATOM 1492 OD1 ASN A 103 -6.545 16.339 -2.827 1.00 0.87 O ATOM 1493 ND2 ASN A 103 -5.062 14.720 -3.265 1.00 0.93 N ATOM 0 H ASN A 103 -6.605 14.645 1.377 1.00 0.27 H new ATOM 0 HA ASN A 103 -7.809 16.029 -0.864 1.00 0.29 H new ATOM 0 HB2 ASN A 103 -5.319 15.184 -0.419 1.00 0.33 H new ATOM 0 HB3 ASN A 103 -5.935 13.692 -1.101 1.00 0.33 H new ATOM 0 HD21 ASN A 103 -4.903 15.066 -4.211 1.00 0.93 H new ATOM 0 HD22 ASN A 103 -4.561 13.896 -2.933 1.00 0.93 H new ATOM 1500 N TYR A 104 -8.543 12.930 -0.068 1.00 0.21 N ATOM 1501 CA TYR A 104 -9.491 11.852 -0.304 1.00 0.22 C ATOM 1502 C TYR A 104 -9.970 11.297 1.015 1.00 0.21 C ATOM 1503 O TYR A 104 -9.181 10.792 1.798 1.00 0.20 O ATOM 1504 CB TYR A 104 -8.848 10.695 -1.072 1.00 0.23 C ATOM 1505 CG TYR A 104 -7.498 11.010 -1.659 1.00 0.21 C ATOM 1506 CD1 TYR A 104 -6.365 11.081 -0.855 1.00 0.18 C ATOM 1507 CD2 TYR A 104 -7.354 11.218 -3.015 1.00 0.25 C ATOM 1508 CE1 TYR A 104 -5.130 11.360 -1.395 1.00 0.21 C ATOM 1509 CE2 TYR A 104 -6.128 11.492 -3.572 1.00 0.27 C ATOM 1510 CZ TYR A 104 -5.011 11.564 -2.758 1.00 0.22 C ATOM 1511 OH TYR A 104 -3.782 11.855 -3.299 1.00 0.30 O ATOM 0 H TYR A 104 -7.962 12.804 0.761 1.00 0.21 H new ATOM 0 HA TYR A 104 -10.313 12.269 -0.886 1.00 0.22 H new ATOM 0 HB2 TYR A 104 -8.749 9.841 -0.402 1.00 0.23 H new ATOM 0 HB3 TYR A 104 -9.518 10.392 -1.876 1.00 0.23 H new ATOM 0 HD1 TYR A 104 -6.456 10.915 0.208 1.00 0.18 H new ATOM 0 HD2 TYR A 104 -8.224 11.164 -3.653 1.00 0.25 H new ATOM 0 HE1 TYR A 104 -4.259 11.419 -0.759 1.00 0.21 H new ATOM 0 HE2 TYR A 104 -6.037 11.650 -4.636 1.00 0.27 H new ATOM 0 HH TYR A 104 -3.197 12.221 -2.603 1.00 0.30 H new ATOM 1521 N CYS A 105 -11.244 11.447 1.261 1.00 0.28 N ATOM 1522 CA CYS A 105 -11.940 10.748 2.321 1.00 0.31 C ATOM 1523 C CYS A 105 -13.437 10.897 2.116 1.00 0.45 C ATOM 1524 O CYS A 105 -13.928 12.007 1.903 1.00 0.63 O ATOM 1525 CB CYS A 105 -11.511 11.268 3.692 1.00 0.27 C ATOM 1526 SG CYS A 105 -12.712 11.006 5.019 1.00 0.38 S ATOM 0 H CYS A 105 -11.844 12.071 0.722 1.00 0.28 H new ATOM 0 HA CYS A 105 -11.682 9.690 2.286 1.00 0.31 H new ATOM 0 HB2 CYS A 105 -10.574 10.786 3.970 1.00 0.27 H new ATOM 0 HB3 CYS A 105 -11.308 12.336 3.612 1.00 0.27 H new ATOM 0 HG CYS A 105 -12.956 9.735 5.139 1.00 0.38 H new