USER MOD reduce.3.24.130724 H: found=0, std=0, add=800, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 801 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 78 MET CE :methyl 179:sc= -0.724 (180deg=-0.725) USER MOD Set 1.2: A 88 THR OG1 : rot 2:sc= 0.49 USER MOD Set 2.1: A 7 ASN : amide:sc= 1.63 K(o=3,f=2.4) USER MOD Set 2.2: A 62 SER OG : rot -40:sc= 1.35 USER MOD Single : A 10 THR OG1 : rot -170:sc= 0.898 USER MOD Single : A 12 LYS NZ :NH3+ 178:sc= 0.595 (180deg=0.584) USER MOD Single : A 13 ASN : amide:sc= 0.385 X(o=0.38,f=0) USER MOD Single : A 18 SER OG : rot -92:sc= 1.89 USER MOD Single : A 19 SER OG : rot -96:sc= 0.209 USER MOD Single : A 48 TYR OH : rot -5:sc= 0.525 USER MOD Single : A 49 LYS NZ :NH3+ -138:sc= 0.833 (180deg=0.283) USER MOD Single : A 51 LYS NZ :NH3+ 169:sc= 0.00903 (180deg=-0.117) USER MOD Single : A 53 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0718) USER MOD Single : A 54 CYS SG : rot 26:sc= -2.77 USER MOD Single : A 56 LYS NZ :NH3+ 169:sc= 0.538 (180deg=0.261) USER MOD Single : A 58 ASN : amide:sc= 0.38 K(o=0.38,f=-10!) USER MOD Single : A 59 THR OG1 : rot 84:sc= 0.993 USER MOD Single : A 64 ASN : amide:sc= 1.07 K(o=1.1,f=-1.7) USER MOD Single : A 67 SER OG : rot 71:sc= 0.957 USER MOD Single : A 69 TYR OH : rot 30:sc= 0 USER MOD Single : A 73 SER OG : rot 97:sc= 0.0736 USER MOD Single : A 76 THR OG1 : rot 112:sc= 0.869 USER MOD Single : A 81 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0132) USER MOD Single : A 84 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0767) USER MOD Single : A 85 LYS NZ :NH3+ -137:sc= 0 (180deg=-0.67) USER MOD Single : A 86 CYS SG : rot -58:sc= 0.28 USER MOD Single : A 95 LYS NZ :NH3+ -121:sc= 0.00585 (180deg=-0.0254) USER MOD Single : A 97 THR OG1 : rot -170:sc= 0.00879 USER MOD Single : A 100 GLN : amide:sc= 0.174 X(o=0.17,f=-0.0061) USER MOD Single : A 101 THR OG1 : rot 89:sc= 1.21 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 35 N ALA A 3 -3.647 -0.834 -8.648 1.00 0.00 N ATOM 36 CA ALA A 3 -2.428 -0.561 -7.912 1.00 0.00 C ATOM 37 C ALA A 3 -1.245 -0.172 -8.801 1.00 0.00 C ATOM 38 O ALA A 3 -0.839 -0.950 -9.663 1.00 0.00 O ATOM 39 CB ALA A 3 -2.072 -1.802 -7.094 1.00 0.00 C ATOM 0 HA ALA A 3 -2.619 0.301 -7.273 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -1.156 -1.617 -6.532 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -2.884 -2.027 -6.402 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -1.922 -2.649 -7.764 1.00 0.00 H new ATOM 45 N GLY A 4 -0.654 1.003 -8.557 1.00 0.00 N ATOM 46 CA GLY A 4 0.520 1.462 -9.290 1.00 0.00 C ATOM 47 C GLY A 4 1.814 0.921 -8.668 1.00 0.00 C ATOM 48 O GLY A 4 1.790 0.073 -7.775 1.00 0.00 O ATOM 0 H GLY A 4 -0.979 1.658 -7.846 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.451 1.140 -10.329 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.545 2.552 -9.295 1.00 0.00 H new ATOM 52 N ALA A 5 2.961 1.439 -9.112 1.00 0.00 N ATOM 53 CA ALA A 5 4.277 1.090 -8.592 1.00 0.00 C ATOM 54 C ALA A 5 4.971 2.387 -8.187 1.00 0.00 C ATOM 55 O ALA A 5 4.804 3.394 -8.875 1.00 0.00 O ATOM 56 CB ALA A 5 5.078 0.350 -9.666 1.00 0.00 C ATOM 0 H ALA A 5 2.997 2.130 -9.862 1.00 0.00 H new ATOM 0 HA ALA A 5 4.195 0.430 -7.728 1.00 0.00 H new ATOM 0 HB1 ALA A 5 6.061 0.091 -9.273 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.550 -0.560 -9.951 1.00 0.00 H new ATOM 0 HB3 ALA A 5 5.194 0.991 -10.540 1.00 0.00 H new ATOM 62 N VAL A 6 5.712 2.380 -7.076 1.00 0.00 N ATOM 63 CA VAL A 6 6.424 3.551 -6.578 1.00 0.00 C ATOM 64 C VAL A 6 7.817 3.166 -6.098 1.00 0.00 C ATOM 65 O VAL A 6 8.133 1.996 -5.894 1.00 0.00 O ATOM 66 CB VAL A 6 5.653 4.232 -5.426 1.00 0.00 C ATOM 67 CG1 VAL A 6 4.641 5.244 -5.962 1.00 0.00 C ATOM 68 CG2 VAL A 6 4.978 3.227 -4.487 1.00 0.00 C ATOM 0 H VAL A 6 5.833 1.551 -6.494 1.00 0.00 H new ATOM 0 HA VAL A 6 6.508 4.257 -7.404 1.00 0.00 H new ATOM 0 HB VAL A 6 6.394 4.766 -4.832 1.00 0.00 H new ATOM 0 HG11 VAL A 6 4.113 5.707 -5.128 1.00 0.00 H new ATOM 0 HG12 VAL A 6 5.162 6.012 -6.533 1.00 0.00 H new ATOM 0 HG13 VAL A 6 3.925 4.735 -6.607 1.00 0.00 H new ATOM 0 HG21 VAL A 6 4.452 3.763 -3.697 1.00 0.00 H new ATOM 0 HG22 VAL A 6 4.268 2.623 -5.051 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.734 2.579 -4.044 1.00 0.00 H new ATOM 78 N ASN A 7 8.634 4.200 -5.913 1.00 0.00 N ATOM 79 CA ASN A 7 9.975 4.161 -5.357 1.00 0.00 C ATOM 80 C ASN A 7 10.149 5.467 -4.600 1.00 0.00 C ATOM 81 O ASN A 7 9.246 6.298 -4.631 1.00 0.00 O ATOM 82 CB ASN A 7 11.036 3.987 -6.448 1.00 0.00 C ATOM 83 CG ASN A 7 11.165 2.526 -6.854 1.00 0.00 C ATOM 84 OD1 ASN A 7 10.931 2.165 -8.002 1.00 0.00 O ATOM 85 ND2 ASN A 7 11.560 1.681 -5.906 1.00 0.00 N ATOM 0 H ASN A 7 8.354 5.148 -6.166 1.00 0.00 H new ATOM 0 HA ASN A 7 10.104 3.304 -4.695 1.00 0.00 H new ATOM 0 HB2 ASN A 7 10.771 4.588 -7.318 1.00 0.00 H new ATOM 0 HB3 ASN A 7 11.997 4.354 -6.088 1.00 0.00 H new ATOM 0 HD21 ASN A 7 11.679 0.691 -6.122 1.00 0.00 H new ATOM 0 HD22 ASN A 7 11.744 2.023 -4.963 1.00 0.00 H new ATOM 92 N ASP A 8 11.290 5.651 -3.935 1.00 0.00 N ATOM 93 CA ASP A 8 11.575 6.830 -3.115 1.00 0.00 C ATOM 94 C ASP A 8 11.054 8.123 -3.747 1.00 0.00 C ATOM 95 O ASP A 8 10.248 8.836 -3.158 1.00 0.00 O ATOM 96 CB ASP A 8 13.086 6.949 -2.898 1.00 0.00 C ATOM 97 CG ASP A 8 13.413 8.125 -1.983 1.00 0.00 C ATOM 98 OD1 ASP A 8 13.421 9.266 -2.490 1.00 0.00 O ATOM 99 OD2 ASP A 8 13.656 7.865 -0.784 1.00 0.00 O ATOM 0 H ASP A 8 12.054 4.975 -3.951 1.00 0.00 H new ATOM 0 HA ASP A 8 11.058 6.696 -2.165 1.00 0.00 H new ATOM 0 HB2 ASP A 8 13.469 6.026 -2.462 1.00 0.00 H new ATOM 0 HB3 ASP A 8 13.586 7.079 -3.858 1.00 0.00 H new ATOM 104 N ASP A 9 11.520 8.399 -4.960 1.00 0.00 N ATOM 105 CA ASP A 9 11.206 9.599 -5.716 1.00 0.00 C ATOM 106 C ASP A 9 9.698 9.775 -5.913 1.00 0.00 C ATOM 107 O ASP A 9 9.125 10.789 -5.522 1.00 0.00 O ATOM 108 CB ASP A 9 11.915 9.521 -7.076 1.00 0.00 C ATOM 109 CG ASP A 9 13.414 9.271 -6.943 1.00 0.00 C ATOM 110 OD1 ASP A 9 13.756 8.130 -6.556 1.00 0.00 O ATOM 111 OD2 ASP A 9 14.182 10.213 -7.232 1.00 0.00 O ATOM 0 H ASP A 9 12.149 7.769 -5.459 1.00 0.00 H new ATOM 0 HA ASP A 9 11.555 10.465 -5.154 1.00 0.00 H new ATOM 0 HB2 ASP A 9 11.469 8.723 -7.669 1.00 0.00 H new ATOM 0 HB3 ASP A 9 11.752 10.451 -7.620 1.00 0.00 H new ATOM 116 N THR A 10 9.050 8.791 -6.539 1.00 0.00 N ATOM 117 CA THR A 10 7.640 8.856 -6.884 1.00 0.00 C ATOM 118 C THR A 10 6.753 8.852 -5.637 1.00 0.00 C ATOM 119 O THR A 10 5.728 9.529 -5.623 1.00 0.00 O ATOM 120 CB THR A 10 7.329 7.692 -7.833 1.00 0.00 C ATOM 121 OG1 THR A 10 7.946 6.505 -7.368 1.00 0.00 O ATOM 122 CG2 THR A 10 7.880 7.992 -9.230 1.00 0.00 C ATOM 0 H THR A 10 9.500 7.920 -6.821 1.00 0.00 H new ATOM 0 HA THR A 10 7.421 9.796 -7.390 1.00 0.00 H new ATOM 0 HB THR A 10 6.247 7.565 -7.871 1.00 0.00 H new ATOM 0 HG1 THR A 10 7.876 5.809 -8.055 1.00 0.00 H new ATOM 0 HG21 THR A 10 7.654 7.160 -9.897 1.00 0.00 H new ATOM 0 HG22 THR A 10 7.419 8.901 -9.616 1.00 0.00 H new ATOM 0 HG23 THR A 10 8.960 8.129 -9.174 1.00 0.00 H new ATOM 130 N PHE A 11 7.148 8.115 -4.596 1.00 0.00 N ATOM 131 CA PHE A 11 6.448 8.006 -3.319 1.00 0.00 C ATOM 132 C PHE A 11 6.025 9.379 -2.809 1.00 0.00 C ATOM 133 O PHE A 11 4.896 9.592 -2.380 1.00 0.00 O ATOM 134 CB PHE A 11 7.384 7.359 -2.297 1.00 0.00 C ATOM 135 CG PHE A 11 6.780 7.138 -0.929 1.00 0.00 C ATOM 136 CD1 PHE A 11 6.034 5.977 -0.668 1.00 0.00 C ATOM 137 CD2 PHE A 11 6.948 8.103 0.081 1.00 0.00 C ATOM 138 CE1 PHE A 11 5.444 5.789 0.593 1.00 0.00 C ATOM 139 CE2 PHE A 11 6.354 7.917 1.339 1.00 0.00 C ATOM 140 CZ PHE A 11 5.574 6.773 1.586 1.00 0.00 C ATOM 0 H PHE A 11 8.000 7.555 -4.624 1.00 0.00 H new ATOM 0 HA PHE A 11 5.554 7.399 -3.460 1.00 0.00 H new ATOM 0 HB2 PHE A 11 7.718 6.399 -2.690 1.00 0.00 H new ATOM 0 HB3 PHE A 11 8.270 7.985 -2.190 1.00 0.00 H new ATOM 0 HD1 PHE A 11 5.914 5.228 -1.437 1.00 0.00 H new ATOM 0 HD2 PHE A 11 7.535 8.989 -0.112 1.00 0.00 H new ATOM 0 HE1 PHE A 11 4.889 4.886 0.799 1.00 0.00 H new ATOM 0 HE2 PHE A 11 6.496 8.652 2.117 1.00 0.00 H new ATOM 0 HZ PHE A 11 5.076 6.652 2.537 1.00 0.00 H new ATOM 150 N LYS A 12 6.961 10.319 -2.847 1.00 0.00 N ATOM 151 CA LYS A 12 6.719 11.693 -2.422 1.00 0.00 C ATOM 152 C LYS A 12 5.438 12.232 -3.080 1.00 0.00 C ATOM 153 O LYS A 12 4.505 12.656 -2.404 1.00 0.00 O ATOM 154 CB LYS A 12 7.928 12.575 -2.772 1.00 0.00 C ATOM 155 CG LYS A 12 9.271 12.043 -2.247 1.00 0.00 C ATOM 156 CD LYS A 12 9.349 11.956 -0.717 1.00 0.00 C ATOM 157 CE LYS A 12 10.722 11.446 -0.259 1.00 0.00 C ATOM 158 NZ LYS A 12 10.936 10.030 -0.612 1.00 0.00 N ATOM 0 H LYS A 12 7.912 10.150 -3.174 1.00 0.00 H new ATOM 0 HA LYS A 12 6.583 11.713 -1.341 1.00 0.00 H new ATOM 0 HB2 LYS A 12 7.989 12.675 -3.856 1.00 0.00 H new ATOM 0 HB3 LYS A 12 7.763 13.574 -2.368 1.00 0.00 H new ATOM 0 HG2 LYS A 12 9.448 11.053 -2.667 1.00 0.00 H new ATOM 0 HG3 LYS A 12 10.072 12.689 -2.606 1.00 0.00 H new ATOM 0 HD2 LYS A 12 9.160 12.938 -0.284 1.00 0.00 H new ATOM 0 HD3 LYS A 12 8.569 11.290 -0.348 1.00 0.00 H new ATOM 0 HE2 LYS A 12 11.504 12.054 -0.714 1.00 0.00 H new ATOM 0 HE3 LYS A 12 10.811 11.567 0.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 11.889 9.738 -0.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 10.227 9.441 -0.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 10.844 9.911 -1.641 1.00 0.00 H new ATOM 172 N ASN A 13 5.380 12.175 -4.410 1.00 0.00 N ATOM 173 CA ASN A 13 4.244 12.642 -5.196 1.00 0.00 C ATOM 174 C ASN A 13 3.001 11.791 -4.950 1.00 0.00 C ATOM 175 O ASN A 13 1.963 12.275 -4.506 1.00 0.00 O ATOM 176 CB ASN A 13 4.603 12.578 -6.693 1.00 0.00 C ATOM 177 CG ASN A 13 5.211 13.863 -7.258 1.00 0.00 C ATOM 178 OD1 ASN A 13 5.165 14.082 -8.463 1.00 0.00 O ATOM 179 ND2 ASN A 13 5.794 14.728 -6.430 1.00 0.00 N ATOM 0 H ASN A 13 6.136 11.796 -4.980 1.00 0.00 H new ATOM 0 HA ASN A 13 4.024 13.666 -4.894 1.00 0.00 H new ATOM 0 HB2 ASN A 13 5.306 11.760 -6.850 1.00 0.00 H new ATOM 0 HB3 ASN A 13 3.703 12.338 -7.259 1.00 0.00 H new ATOM 0 HD21 ASN A 13 6.209 15.585 -6.797 1.00 0.00 H new ATOM 0 HD22 ASN A 13 5.826 14.534 -5.429 1.00 0.00 H new ATOM 186 N VAL A 14 3.120 10.514 -5.291 1.00 0.00 N ATOM 187 CA VAL A 14 2.045 9.541 -5.317 1.00 0.00 C ATOM 188 C VAL A 14 1.459 9.258 -3.933 1.00 0.00 C ATOM 189 O VAL A 14 0.290 8.887 -3.844 1.00 0.00 O ATOM 190 CB VAL A 14 2.615 8.279 -5.993 1.00 0.00 C ATOM 191 CG1 VAL A 14 1.625 7.116 -5.998 1.00 0.00 C ATOM 192 CG2 VAL A 14 3.007 8.572 -7.451 1.00 0.00 C ATOM 0 H VAL A 14 4.015 10.113 -5.570 1.00 0.00 H new ATOM 0 HA VAL A 14 1.197 9.929 -5.881 1.00 0.00 H new ATOM 0 HB VAL A 14 3.489 7.995 -5.406 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.079 6.254 -6.486 1.00 0.00 H new ATOM 0 HG12 VAL A 14 1.364 6.856 -4.972 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.725 7.407 -6.539 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.407 7.667 -7.909 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.128 8.901 -8.005 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.764 9.356 -7.474 1.00 0.00 H new ATOM 202 N VAL A 15 2.246 9.420 -2.867 1.00 0.00 N ATOM 203 CA VAL A 15 1.826 9.119 -1.509 1.00 0.00 C ATOM 204 C VAL A 15 1.791 10.392 -0.663 1.00 0.00 C ATOM 205 O VAL A 15 0.705 10.891 -0.402 1.00 0.00 O ATOM 206 CB VAL A 15 2.722 8.022 -0.902 1.00 0.00 C ATOM 207 CG1 VAL A 15 2.098 7.502 0.399 1.00 0.00 C ATOM 208 CG2 VAL A 15 2.914 6.869 -1.898 1.00 0.00 C ATOM 0 H VAL A 15 3.203 9.768 -2.930 1.00 0.00 H new ATOM 0 HA VAL A 15 0.810 8.726 -1.524 1.00 0.00 H new ATOM 0 HB VAL A 15 3.700 8.450 -0.682 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.736 6.727 0.824 1.00 0.00 H new ATOM 0 HG12 VAL A 15 2.002 8.323 1.110 1.00 0.00 H new ATOM 0 HG13 VAL A 15 1.112 7.087 0.189 1.00 0.00 H new ATOM 0 HG21 VAL A 15 3.549 6.104 -1.451 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.945 6.436 -2.145 1.00 0.00 H new ATOM 0 HG23 VAL A 15 3.385 7.247 -2.806 1.00 0.00 H new ATOM 218 N LEU A 16 2.930 10.945 -0.240 1.00 0.00 N ATOM 219 CA LEU A 16 2.962 12.073 0.695 1.00 0.00 C ATOM 220 C LEU A 16 2.133 13.267 0.225 1.00 0.00 C ATOM 221 O LEU A 16 1.445 13.891 1.029 1.00 0.00 O ATOM 222 CB LEU A 16 4.403 12.528 0.952 1.00 0.00 C ATOM 223 CG LEU A 16 5.294 11.467 1.614 1.00 0.00 C ATOM 224 CD1 LEU A 16 6.655 12.098 1.924 1.00 0.00 C ATOM 225 CD2 LEU A 16 4.690 10.925 2.916 1.00 0.00 C ATOM 0 H LEU A 16 3.853 10.625 -0.534 1.00 0.00 H new ATOM 0 HA LEU A 16 2.516 11.706 1.619 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.853 12.823 0.004 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.384 13.415 1.585 1.00 0.00 H new ATOM 0 HG LEU A 16 5.389 10.630 0.922 1.00 0.00 H new ATOM 0 HD11 LEU A 16 7.301 11.357 2.395 1.00 0.00 H new ATOM 0 HD12 LEU A 16 7.115 12.444 0.998 1.00 0.00 H new ATOM 0 HD13 LEU A 16 6.519 12.943 2.599 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.359 10.178 3.344 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.559 11.743 3.624 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.723 10.468 2.706 1.00 0.00 H new ATOM 237 N GLU A 17 2.211 13.603 -1.061 1.00 0.00 N ATOM 238 CA GLU A 17 1.485 14.717 -1.650 1.00 0.00 C ATOM 239 C GLU A 17 0.132 14.276 -2.238 1.00 0.00 C ATOM 240 O GLU A 17 -0.442 15.008 -3.042 1.00 0.00 O ATOM 241 CB GLU A 17 2.377 15.326 -2.739 1.00 0.00 C ATOM 242 CG GLU A 17 3.729 15.834 -2.209 1.00 0.00 C ATOM 243 CD GLU A 17 4.667 16.200 -3.356 1.00 0.00 C ATOM 244 OE1 GLU A 17 4.512 17.323 -3.880 1.00 0.00 O ATOM 245 OE2 GLU A 17 5.517 15.347 -3.701 1.00 0.00 O ATOM 0 H GLU A 17 2.791 13.098 -1.731 1.00 0.00 H new ATOM 0 HA GLU A 17 1.258 15.453 -0.879 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.556 14.578 -3.512 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.847 16.153 -3.212 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.570 16.705 -1.573 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.191 15.067 -1.588 1.00 0.00 H new ATOM 252 N SER A 18 -0.392 13.099 -1.873 1.00 0.00 N ATOM 253 CA SER A 18 -1.647 12.618 -2.441 1.00 0.00 C ATOM 254 C SER A 18 -2.855 13.391 -1.896 1.00 0.00 C ATOM 255 O SER A 18 -2.852 13.867 -0.762 1.00 0.00 O ATOM 256 CB SER A 18 -1.800 11.120 -2.164 1.00 0.00 C ATOM 257 OG SER A 18 -1.957 10.876 -0.779 1.00 0.00 O ATOM 0 H SER A 18 0.034 12.470 -1.192 1.00 0.00 H new ATOM 0 HA SER A 18 -1.615 12.787 -3.517 1.00 0.00 H new ATOM 0 HB2 SER A 18 -2.663 10.732 -2.706 1.00 0.00 H new ATOM 0 HB3 SER A 18 -0.925 10.586 -2.534 1.00 0.00 H new ATOM 0 HG SER A 18 -1.079 10.717 -0.373 1.00 0.00 H new ATOM 263 N SER A 19 -3.898 13.509 -2.721 1.00 0.00 N ATOM 264 CA SER A 19 -5.163 14.145 -2.394 1.00 0.00 C ATOM 265 C SER A 19 -6.133 13.084 -1.870 1.00 0.00 C ATOM 266 O SER A 19 -6.634 13.170 -0.753 1.00 0.00 O ATOM 267 CB SER A 19 -5.686 14.783 -3.684 1.00 0.00 C ATOM 268 OG SER A 19 -5.473 13.877 -4.759 1.00 0.00 O ATOM 0 H SER A 19 -3.877 13.146 -3.674 1.00 0.00 H new ATOM 0 HA SER A 19 -5.051 14.906 -1.622 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.747 15.013 -3.588 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.171 15.725 -3.876 1.00 0.00 H new ATOM 0 HG SER A 19 -4.639 14.106 -5.219 1.00 0.00 H new ATOM 274 N VAL A 20 -6.385 12.084 -2.714 1.00 0.00 N ATOM 275 CA VAL A 20 -7.240 10.936 -2.430 1.00 0.00 C ATOM 276 C VAL A 20 -6.462 9.933 -1.564 1.00 0.00 C ATOM 277 O VAL A 20 -5.235 10.024 -1.492 1.00 0.00 O ATOM 278 CB VAL A 20 -7.680 10.255 -3.749 1.00 0.00 C ATOM 279 CG1 VAL A 20 -9.141 10.557 -4.087 1.00 0.00 C ATOM 280 CG2 VAL A 20 -6.792 10.539 -4.969 1.00 0.00 C ATOM 0 H VAL A 20 -5.982 12.052 -3.651 1.00 0.00 H new ATOM 0 HA VAL A 20 -8.130 11.273 -1.898 1.00 0.00 H new ATOM 0 HB VAL A 20 -7.560 9.192 -3.538 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -9.409 10.060 -5.020 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -9.783 10.193 -3.285 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.274 11.633 -4.198 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -7.189 10.015 -5.838 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -6.778 11.611 -5.167 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -5.778 10.194 -4.769 1.00 0.00 H new ATOM 290 N PRO A 21 -7.151 8.984 -0.901 1.00 0.00 N ATOM 291 CA PRO A 21 -6.498 7.941 -0.128 1.00 0.00 C ATOM 292 C PRO A 21 -5.485 7.152 -0.955 1.00 0.00 C ATOM 293 O PRO A 21 -5.504 7.173 -2.183 1.00 0.00 O ATOM 294 CB PRO A 21 -7.606 7.012 0.364 1.00 0.00 C ATOM 295 CG PRO A 21 -8.827 7.917 0.402 1.00 0.00 C ATOM 296 CD PRO A 21 -8.599 8.865 -0.777 1.00 0.00 C ATOM 0 HA PRO A 21 -5.938 8.387 0.694 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -7.752 6.167 -0.309 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -7.379 6.600 1.347 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -9.751 7.350 0.290 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -8.897 8.458 1.346 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -9.041 8.469 -1.691 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -9.059 9.836 -0.595 1.00 0.00 H new ATOM 304 N VAL A 22 -4.618 6.408 -0.272 1.00 0.00 N ATOM 305 CA VAL A 22 -3.566 5.627 -0.907 1.00 0.00 C ATOM 306 C VAL A 22 -3.354 4.345 -0.106 1.00 0.00 C ATOM 307 O VAL A 22 -3.464 4.381 1.119 1.00 0.00 O ATOM 308 CB VAL A 22 -2.254 6.442 -0.975 1.00 0.00 C ATOM 309 CG1 VAL A 22 -1.175 5.817 -1.863 1.00 0.00 C ATOM 310 CG2 VAL A 22 -2.471 7.887 -1.434 1.00 0.00 C ATOM 0 H VAL A 22 -4.628 6.331 0.745 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.861 5.378 -1.927 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.902 6.432 0.056 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.287 6.450 -1.857 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -0.919 4.828 -1.483 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.550 5.728 -2.883 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.514 8.408 -1.462 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.914 7.890 -2.430 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.140 8.393 -0.738 1.00 0.00 H new ATOM 320 N LEU A 23 -3.055 3.226 -0.776 1.00 0.00 N ATOM 321 CA LEU A 23 -2.735 1.960 -0.109 1.00 0.00 C ATOM 322 C LEU A 23 -1.392 1.469 -0.657 1.00 0.00 C ATOM 323 O LEU A 23 -1.343 0.887 -1.735 1.00 0.00 O ATOM 324 CB LEU A 23 -3.890 0.960 -0.292 1.00 0.00 C ATOM 325 CG LEU A 23 -3.696 -0.343 0.508 1.00 0.00 C ATOM 326 CD1 LEU A 23 -4.994 -0.774 1.204 1.00 0.00 C ATOM 327 CD2 LEU A 23 -3.258 -1.491 -0.408 1.00 0.00 C ATOM 0 H LEU A 23 -3.028 3.173 -1.794 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.629 2.084 0.969 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.823 1.432 0.015 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.989 0.718 -1.350 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.927 -0.136 1.252 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.821 -1.696 1.759 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.315 0.008 1.892 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.770 -0.941 0.457 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.128 -2.398 0.182 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.019 -1.659 -1.170 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.314 -1.233 -0.889 1.00 0.00 H new ATOM 339 N VAL A 24 -0.293 1.733 0.055 1.00 0.00 N ATOM 340 CA VAL A 24 1.048 1.383 -0.403 1.00 0.00 C ATOM 341 C VAL A 24 1.455 0.039 0.186 1.00 0.00 C ATOM 342 O VAL A 24 1.557 -0.080 1.409 1.00 0.00 O ATOM 343 CB VAL A 24 2.067 2.455 0.023 1.00 0.00 C ATOM 344 CG1 VAL A 24 3.457 2.131 -0.546 1.00 0.00 C ATOM 345 CG2 VAL A 24 1.656 3.851 -0.456 1.00 0.00 C ATOM 0 H VAL A 24 -0.311 2.195 0.964 1.00 0.00 H new ATOM 0 HA VAL A 24 1.036 1.323 -1.491 1.00 0.00 H new ATOM 0 HB VAL A 24 2.096 2.451 1.113 1.00 0.00 H new ATOM 0 HG11 VAL A 24 4.165 2.899 -0.235 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.786 1.161 -0.173 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.407 2.103 -1.634 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.401 4.580 -0.135 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.587 3.857 -1.544 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.687 4.111 -0.030 1.00 0.00 H new ATOM 355 N ASP A 25 1.730 -0.954 -0.665 1.00 0.00 N ATOM 356 CA ASP A 25 2.218 -2.248 -0.235 1.00 0.00 C ATOM 357 C ASP A 25 3.739 -2.217 -0.314 1.00 0.00 C ATOM 358 O ASP A 25 4.293 -2.148 -1.411 1.00 0.00 O ATOM 359 CB ASP A 25 1.644 -3.370 -1.108 1.00 0.00 C ATOM 360 CG ASP A 25 2.259 -4.728 -0.762 1.00 0.00 C ATOM 361 OD1 ASP A 25 2.589 -4.930 0.428 1.00 0.00 O ATOM 362 OD2 ASP A 25 2.391 -5.542 -1.700 1.00 0.00 O ATOM 0 H ASP A 25 1.616 -0.872 -1.675 1.00 0.00 H new ATOM 0 HA ASP A 25 1.898 -2.451 0.787 1.00 0.00 H new ATOM 0 HB2 ASP A 25 0.563 -3.416 -0.977 1.00 0.00 H new ATOM 0 HB3 ASP A 25 1.828 -3.144 -2.158 1.00 0.00 H new ATOM 367 N PHE A 26 4.431 -2.254 0.823 1.00 0.00 N ATOM 368 CA PHE A 26 5.883 -2.326 0.814 1.00 0.00 C ATOM 369 C PHE A 26 6.184 -3.792 0.513 1.00 0.00 C ATOM 370 O PHE A 26 5.883 -4.645 1.348 1.00 0.00 O ATOM 371 CB PHE A 26 6.466 -1.890 2.164 1.00 0.00 C ATOM 372 CG PHE A 26 6.489 -0.389 2.408 1.00 0.00 C ATOM 373 CD1 PHE A 26 5.291 0.321 2.619 1.00 0.00 C ATOM 374 CD2 PHE A 26 7.721 0.291 2.482 1.00 0.00 C ATOM 375 CE1 PHE A 26 5.327 1.692 2.928 1.00 0.00 C ATOM 376 CE2 PHE A 26 7.757 1.656 2.819 1.00 0.00 C ATOM 377 CZ PHE A 26 6.560 2.353 3.063 1.00 0.00 C ATOM 0 H PHE A 26 4.011 -2.235 1.752 1.00 0.00 H new ATOM 0 HA PHE A 26 6.332 -1.658 0.079 1.00 0.00 H new ATOM 0 HB2 PHE A 26 5.889 -2.362 2.960 1.00 0.00 H new ATOM 0 HB3 PHE A 26 7.485 -2.270 2.241 1.00 0.00 H new ATOM 0 HD1 PHE A 26 4.342 -0.189 2.543 1.00 0.00 H new ATOM 0 HD2 PHE A 26 8.641 -0.238 2.279 1.00 0.00 H new ATOM 0 HE1 PHE A 26 4.405 2.239 3.062 1.00 0.00 H new ATOM 0 HE2 PHE A 26 8.705 2.169 2.890 1.00 0.00 H new ATOM 0 HZ PHE A 26 6.588 3.393 3.353 1.00 0.00 H new ATOM 387 N TRP A 27 6.706 -4.080 -0.683 1.00 0.00 N ATOM 388 CA TRP A 27 6.956 -5.437 -1.154 1.00 0.00 C ATOM 389 C TRP A 27 8.417 -5.622 -1.549 1.00 0.00 C ATOM 390 O TRP A 27 9.258 -4.753 -1.328 1.00 0.00 O ATOM 391 CB TRP A 27 6.052 -5.739 -2.363 1.00 0.00 C ATOM 392 CG TRP A 27 6.496 -5.105 -3.644 1.00 0.00 C ATOM 393 CD1 TRP A 27 6.457 -3.786 -3.908 1.00 0.00 C ATOM 394 CD2 TRP A 27 7.195 -5.714 -4.769 1.00 0.00 C ATOM 395 NE1 TRP A 27 7.176 -3.510 -5.054 1.00 0.00 N ATOM 396 CE2 TRP A 27 7.683 -4.669 -5.608 1.00 0.00 C ATOM 397 CE3 TRP A 27 7.514 -7.038 -5.143 1.00 0.00 C ATOM 398 CZ2 TRP A 27 8.500 -4.925 -6.719 1.00 0.00 C ATOM 399 CZ3 TRP A 27 8.256 -7.303 -6.307 1.00 0.00 C ATOM 400 CH2 TRP A 27 8.766 -6.252 -7.084 1.00 0.00 C ATOM 0 H TRP A 27 6.969 -3.362 -1.358 1.00 0.00 H new ATOM 0 HA TRP A 27 6.731 -6.128 -0.341 1.00 0.00 H new ATOM 0 HB2 TRP A 27 6.004 -6.819 -2.504 1.00 0.00 H new ATOM 0 HB3 TRP A 27 5.040 -5.402 -2.137 1.00 0.00 H new ATOM 0 HD1 TRP A 27 5.939 -3.051 -3.311 1.00 0.00 H new ATOM 0 HE1 TRP A 27 7.314 -2.576 -5.440 1.00 0.00 H new ATOM 0 HE3 TRP A 27 7.183 -7.860 -4.525 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 8.920 -4.108 -7.287 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 8.435 -8.325 -6.606 1.00 0.00 H new ATOM 0 HH2 TRP A 27 9.361 -6.465 -7.960 1.00 0.00 H new ATOM 411 N ALA A 28 8.726 -6.765 -2.159 1.00 0.00 N ATOM 412 CA ALA A 28 10.028 -7.071 -2.732 1.00 0.00 C ATOM 413 C ALA A 28 9.909 -8.379 -3.511 1.00 0.00 C ATOM 414 O ALA A 28 9.089 -9.219 -3.146 1.00 0.00 O ATOM 415 CB ALA A 28 11.095 -7.234 -1.646 1.00 0.00 C ATOM 0 H ALA A 28 8.054 -7.524 -2.269 1.00 0.00 H new ATOM 0 HA ALA A 28 10.330 -6.248 -3.380 1.00 0.00 H new ATOM 0 HB1 ALA A 28 12.055 -7.462 -2.110 1.00 0.00 H new ATOM 0 HB2 ALA A 28 11.178 -6.309 -1.076 1.00 0.00 H new ATOM 0 HB3 ALA A 28 10.813 -8.048 -0.978 1.00 0.00 H new ATOM 421 N PRO A 29 10.711 -8.599 -4.560 1.00 0.00 N ATOM 422 CA PRO A 29 10.682 -9.840 -5.318 1.00 0.00 C ATOM 423 C PRO A 29 10.969 -11.070 -4.452 1.00 0.00 C ATOM 424 O PRO A 29 10.418 -12.139 -4.701 1.00 0.00 O ATOM 425 CB PRO A 29 11.705 -9.658 -6.437 1.00 0.00 C ATOM 426 CG PRO A 29 12.607 -8.521 -5.951 1.00 0.00 C ATOM 427 CD PRO A 29 11.620 -7.652 -5.179 1.00 0.00 C ATOM 0 HA PRO A 29 9.687 -10.032 -5.719 1.00 0.00 H new ATOM 0 HB2 PRO A 29 12.275 -10.572 -6.606 1.00 0.00 H new ATOM 0 HB3 PRO A 29 11.221 -9.405 -7.380 1.00 0.00 H new ATOM 0 HG2 PRO A 29 13.416 -8.883 -5.317 1.00 0.00 H new ATOM 0 HG3 PRO A 29 13.067 -7.981 -6.779 1.00 0.00 H new ATOM 0 HD2 PRO A 29 12.128 -7.042 -4.432 1.00 0.00 H new ATOM 0 HD3 PRO A 29 11.090 -6.968 -5.842 1.00 0.00 H new ATOM 435 N TRP A 30 11.819 -10.944 -3.430 1.00 0.00 N ATOM 436 CA TRP A 30 12.070 -12.057 -2.523 1.00 0.00 C ATOM 437 C TRP A 30 10.883 -12.270 -1.570 1.00 0.00 C ATOM 438 O TRP A 30 10.785 -13.316 -0.930 1.00 0.00 O ATOM 439 CB TRP A 30 13.382 -11.818 -1.760 1.00 0.00 C ATOM 440 CG TRP A 30 13.589 -10.473 -1.124 1.00 0.00 C ATOM 441 CD1 TRP A 30 14.436 -9.523 -1.579 1.00 0.00 C ATOM 442 CD2 TRP A 30 13.016 -9.933 0.107 1.00 0.00 C ATOM 443 NE1 TRP A 30 14.428 -8.434 -0.733 1.00 0.00 N ATOM 444 CE2 TRP A 30 13.555 -8.628 0.320 1.00 0.00 C ATOM 445 CE3 TRP A 30 12.108 -10.416 1.075 1.00 0.00 C ATOM 446 CZ2 TRP A 30 13.187 -7.837 1.420 1.00 0.00 C ATOM 447 CZ3 TRP A 30 11.727 -9.627 2.176 1.00 0.00 C ATOM 448 CH2 TRP A 30 12.255 -8.336 2.343 1.00 0.00 C ATOM 0 H TRP A 30 12.337 -10.092 -3.215 1.00 0.00 H new ATOM 0 HA TRP A 30 12.176 -12.973 -3.103 1.00 0.00 H new ATOM 0 HB2 TRP A 30 13.456 -12.573 -0.977 1.00 0.00 H new ATOM 0 HB3 TRP A 30 14.207 -11.992 -2.451 1.00 0.00 H new ATOM 0 HD1 TRP A 30 15.033 -9.605 -2.475 1.00 0.00 H new ATOM 0 HE1 TRP A 30 14.993 -7.595 -0.867 1.00 0.00 H new ATOM 0 HE3 TRP A 30 11.698 -11.410 0.968 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 13.616 -6.855 1.554 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 11.024 -10.017 2.897 1.00 0.00 H new ATOM 0 HH2 TRP A 30 11.944 -7.729 3.180 1.00 0.00 H new ATOM 459 N CYS A 31 9.959 -11.310 -1.470 1.00 0.00 N ATOM 460 CA CYS A 31 8.843 -11.408 -0.541 1.00 0.00 C ATOM 461 C CYS A 31 7.696 -12.232 -1.134 1.00 0.00 C ATOM 462 O CYS A 31 6.717 -11.700 -1.660 1.00 0.00 O ATOM 463 CB CYS A 31 8.383 -10.015 -0.124 1.00 0.00 C ATOM 464 SG CYS A 31 7.033 -10.079 1.063 1.00 0.00 S ATOM 0 H CYS A 31 9.967 -10.455 -2.026 1.00 0.00 H new ATOM 0 HA CYS A 31 9.180 -11.934 0.352 1.00 0.00 H new ATOM 0 HB2 CYS A 31 9.222 -9.471 0.310 1.00 0.00 H new ATOM 0 HB3 CYS A 31 8.064 -9.459 -1.006 1.00 0.00 H new ATOM 469 N GLY A 32 7.820 -13.556 -1.018 1.00 0.00 N ATOM 470 CA GLY A 32 6.803 -14.525 -1.417 1.00 0.00 C ATOM 471 C GLY A 32 5.370 -14.109 -1.050 1.00 0.00 C ATOM 472 O GLY A 32 4.529 -14.014 -1.948 1.00 0.00 O ATOM 0 H GLY A 32 8.656 -13.994 -0.632 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.862 -14.677 -2.495 1.00 0.00 H new ATOM 0 HA3 GLY A 32 7.024 -15.484 -0.948 1.00 0.00 H new ATOM 476 N PRO A 33 5.054 -13.861 0.238 1.00 0.00 N ATOM 477 CA PRO A 33 3.708 -13.469 0.623 1.00 0.00 C ATOM 478 C PRO A 33 3.273 -12.201 -0.110 1.00 0.00 C ATOM 479 O PRO A 33 2.140 -12.116 -0.570 1.00 0.00 O ATOM 480 CB PRO A 33 3.706 -13.311 2.146 1.00 0.00 C ATOM 481 CG PRO A 33 5.180 -13.215 2.529 1.00 0.00 C ATOM 482 CD PRO A 33 5.906 -13.971 1.416 1.00 0.00 C ATOM 0 HA PRO A 33 2.978 -14.226 0.338 1.00 0.00 H new ATOM 0 HB2 PRO A 33 3.159 -12.419 2.451 1.00 0.00 H new ATOM 0 HB3 PRO A 33 3.226 -14.161 2.631 1.00 0.00 H new ATOM 0 HG2 PRO A 33 5.510 -12.178 2.587 1.00 0.00 H new ATOM 0 HG3 PRO A 33 5.368 -13.664 3.504 1.00 0.00 H new ATOM 0 HD2 PRO A 33 6.890 -13.540 1.228 1.00 0.00 H new ATOM 0 HD3 PRO A 33 6.062 -15.015 1.690 1.00 0.00 H new ATOM 490 N CYS A 34 4.175 -11.230 -0.264 1.00 0.00 N ATOM 491 CA CYS A 34 3.852 -9.993 -0.964 1.00 0.00 C ATOM 492 C CYS A 34 3.406 -10.329 -2.382 1.00 0.00 C ATOM 493 O CYS A 34 2.343 -9.904 -2.821 1.00 0.00 O ATOM 494 CB CYS A 34 5.031 -9.022 -1.046 1.00 0.00 C ATOM 495 SG CYS A 34 5.831 -8.490 0.480 1.00 0.00 S ATOM 0 H CYS A 34 5.132 -11.279 0.087 1.00 0.00 H new ATOM 0 HA CYS A 34 3.062 -9.503 -0.395 1.00 0.00 H new ATOM 0 HB2 CYS A 34 5.793 -9.482 -1.674 1.00 0.00 H new ATOM 0 HB3 CYS A 34 4.686 -8.128 -1.566 1.00 0.00 H new ATOM 500 N ARG A 35 4.222 -11.109 -3.094 1.00 0.00 N ATOM 501 CA ARG A 35 3.942 -11.495 -4.466 1.00 0.00 C ATOM 502 C ARG A 35 2.583 -12.181 -4.598 1.00 0.00 C ATOM 503 O ARG A 35 1.817 -11.821 -5.486 1.00 0.00 O ATOM 504 CB ARG A 35 5.064 -12.405 -4.969 1.00 0.00 C ATOM 505 CG ARG A 35 6.289 -11.565 -5.342 1.00 0.00 C ATOM 506 CD ARG A 35 7.532 -12.432 -5.530 1.00 0.00 C ATOM 507 NE ARG A 35 7.316 -13.552 -6.453 1.00 0.00 N ATOM 508 CZ ARG A 35 8.258 -14.459 -6.745 1.00 0.00 C ATOM 509 NH1 ARG A 35 9.484 -14.352 -6.217 1.00 0.00 N ATOM 510 NH2 ARG A 35 7.968 -15.471 -7.568 1.00 0.00 N ATOM 0 H ARG A 35 5.096 -11.488 -2.729 1.00 0.00 H new ATOM 0 HA ARG A 35 3.899 -10.594 -5.079 1.00 0.00 H new ATOM 0 HB2 ARG A 35 5.330 -13.129 -4.199 1.00 0.00 H new ATOM 0 HB3 ARG A 35 4.723 -12.972 -5.835 1.00 0.00 H new ATOM 0 HG2 ARG A 35 6.087 -11.015 -6.261 1.00 0.00 H new ATOM 0 HG3 ARG A 35 6.475 -10.826 -4.562 1.00 0.00 H new ATOM 0 HD2 ARG A 35 8.347 -11.812 -5.904 1.00 0.00 H new ATOM 0 HD3 ARG A 35 7.846 -12.822 -4.562 1.00 0.00 H new ATOM 0 HE ARG A 35 6.402 -13.645 -6.895 1.00 0.00 H new ATOM 0 HH11 ARG A 35 9.703 -13.578 -5.590 1.00 0.00 H new ATOM 0 HH12 ARG A 35 10.198 -15.045 -6.442 1.00 0.00 H new ATOM 0 HH21 ARG A 35 7.034 -15.550 -7.970 1.00 0.00 H new ATOM 0 HH22 ARG A 35 8.681 -16.165 -7.794 1.00 0.00 H new ATOM 524 N ILE A 36 2.272 -13.166 -3.750 1.00 0.00 N ATOM 525 CA ILE A 36 0.992 -13.865 -3.882 1.00 0.00 C ATOM 526 C ILE A 36 -0.183 -13.002 -3.386 1.00 0.00 C ATOM 527 O ILE A 36 -1.313 -13.246 -3.800 1.00 0.00 O ATOM 528 CB ILE A 36 1.047 -15.274 -3.252 1.00 0.00 C ATOM 529 CG1 ILE A 36 1.300 -15.280 -1.739 1.00 0.00 C ATOM 530 CG2 ILE A 36 2.160 -16.079 -3.941 1.00 0.00 C ATOM 531 CD1 ILE A 36 0.001 -15.274 -0.928 1.00 0.00 C ATOM 0 H ILE A 36 2.868 -13.489 -2.988 1.00 0.00 H new ATOM 0 HA ILE A 36 0.802 -14.027 -4.943 1.00 0.00 H new ATOM 0 HB ILE A 36 0.063 -15.717 -3.402 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.885 -16.161 -1.475 1.00 0.00 H new ATOM 0 HG13 ILE A 36 1.897 -14.408 -1.470 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.210 -17.077 -3.506 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.945 -16.158 -5.007 1.00 0.00 H new ATOM 0 HG23 ILE A 36 3.115 -15.573 -3.800 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.236 -15.279 0.136 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.574 -14.380 -1.169 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.585 -16.159 -1.174 1.00 0.00 H new ATOM 543 N ILE A 37 0.050 -12.003 -2.524 1.00 0.00 N ATOM 544 CA ILE A 37 -0.988 -11.086 -2.047 1.00 0.00 C ATOM 545 C ILE A 37 -1.244 -9.965 -3.076 1.00 0.00 C ATOM 546 O ILE A 37 -2.382 -9.542 -3.261 1.00 0.00 O ATOM 547 CB ILE A 37 -0.575 -10.569 -0.650 1.00 0.00 C ATOM 548 CG1 ILE A 37 -0.705 -11.682 0.409 1.00 0.00 C ATOM 549 CG2 ILE A 37 -1.384 -9.356 -0.185 1.00 0.00 C ATOM 550 CD1 ILE A 37 -2.143 -12.096 0.745 1.00 0.00 C ATOM 0 H ILE A 37 0.973 -11.809 -2.136 1.00 0.00 H new ATOM 0 HA ILE A 37 -1.944 -11.599 -1.942 1.00 0.00 H new ATOM 0 HB ILE A 37 0.464 -10.258 -0.753 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.163 -12.560 0.059 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.216 -11.350 1.325 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.041 -9.047 0.802 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -1.248 -8.536 -0.890 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -2.440 -9.620 -0.136 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -2.128 -12.883 1.499 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -2.689 -11.235 1.131 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -2.635 -12.464 -0.155 1.00 0.00 H new ATOM 562 N ALA A 38 -0.219 -9.504 -3.793 1.00 0.00 N ATOM 563 CA ALA A 38 -0.278 -8.449 -4.809 1.00 0.00 C ATOM 564 C ALA A 38 -1.518 -8.486 -5.728 1.00 0.00 C ATOM 565 O ALA A 38 -2.107 -7.431 -5.963 1.00 0.00 O ATOM 566 CB ALA A 38 1.006 -8.471 -5.648 1.00 0.00 C ATOM 0 H ALA A 38 0.724 -9.874 -3.676 1.00 0.00 H new ATOM 0 HA ALA A 38 -0.369 -7.515 -4.255 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.961 -7.686 -6.403 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.867 -8.303 -5.001 1.00 0.00 H new ATOM 0 HB3 ALA A 38 1.104 -9.440 -6.137 1.00 0.00 H new ATOM 572 N PRO A 39 -1.954 -9.633 -6.282 1.00 0.00 N ATOM 573 CA PRO A 39 -3.140 -9.680 -7.126 1.00 0.00 C ATOM 574 C PRO A 39 -4.370 -9.265 -6.316 1.00 0.00 C ATOM 575 O PRO A 39 -5.230 -8.532 -6.800 1.00 0.00 O ATOM 576 CB PRO A 39 -3.265 -11.129 -7.619 1.00 0.00 C ATOM 577 CG PRO A 39 -1.894 -11.740 -7.331 1.00 0.00 C ATOM 578 CD PRO A 39 -1.465 -10.980 -6.081 1.00 0.00 C ATOM 0 HA PRO A 39 -3.064 -8.994 -7.970 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -4.057 -11.662 -7.093 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -3.504 -11.169 -8.682 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -1.955 -12.814 -7.155 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -1.199 -11.591 -8.158 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -1.890 -11.425 -5.182 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -0.382 -10.994 -5.962 1.00 0.00 H new ATOM 586 N VAL A 40 -4.424 -9.733 -5.064 1.00 0.00 N ATOM 587 CA VAL A 40 -5.489 -9.450 -4.122 1.00 0.00 C ATOM 588 C VAL A 40 -5.490 -7.940 -3.857 1.00 0.00 C ATOM 589 O VAL A 40 -6.528 -7.284 -3.943 1.00 0.00 O ATOM 590 CB VAL A 40 -5.298 -10.275 -2.833 1.00 0.00 C ATOM 591 CG1 VAL A 40 -6.586 -10.243 -2.017 1.00 0.00 C ATOM 592 CG2 VAL A 40 -4.963 -11.746 -3.125 1.00 0.00 C ATOM 0 H VAL A 40 -3.700 -10.337 -4.676 1.00 0.00 H new ATOM 0 HA VAL A 40 -6.459 -9.738 -4.528 1.00 0.00 H new ATOM 0 HB VAL A 40 -4.465 -9.830 -2.288 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -6.454 -10.825 -1.105 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -6.827 -9.212 -1.757 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -7.400 -10.669 -2.604 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -4.838 -12.284 -2.185 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -5.774 -12.197 -3.697 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.039 -11.801 -3.700 1.00 0.00 H new ATOM 602 N VAL A 41 -4.305 -7.391 -3.564 1.00 0.00 N ATOM 603 CA VAL A 41 -4.101 -5.961 -3.346 1.00 0.00 C ATOM 604 C VAL A 41 -4.688 -5.191 -4.534 1.00 0.00 C ATOM 605 O VAL A 41 -5.482 -4.267 -4.352 1.00 0.00 O ATOM 606 CB VAL A 41 -2.594 -5.666 -3.173 1.00 0.00 C ATOM 607 CG1 VAL A 41 -2.269 -4.170 -3.113 1.00 0.00 C ATOM 608 CG2 VAL A 41 -2.021 -6.359 -1.937 1.00 0.00 C ATOM 0 H VAL A 41 -3.450 -7.940 -3.471 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.608 -5.641 -2.436 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.122 -6.070 -4.068 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.194 -4.036 -2.991 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.592 -3.690 -4.037 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.789 -3.718 -2.268 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.959 -6.128 -1.849 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.544 -6.007 -1.048 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.151 -7.437 -2.031 1.00 0.00 H new ATOM 618 N ASP A 42 -4.303 -5.583 -5.753 1.00 0.00 N ATOM 619 CA ASP A 42 -4.750 -4.908 -6.960 1.00 0.00 C ATOM 620 C ASP A 42 -6.258 -4.978 -7.141 1.00 0.00 C ATOM 621 O ASP A 42 -6.908 -3.947 -7.269 1.00 0.00 O ATOM 622 CB ASP A 42 -4.089 -5.510 -8.198 1.00 0.00 C ATOM 623 CG ASP A 42 -4.427 -4.663 -9.423 1.00 0.00 C ATOM 624 OD1 ASP A 42 -4.189 -3.437 -9.348 1.00 0.00 O ATOM 625 OD2 ASP A 42 -4.936 -5.251 -10.399 1.00 0.00 O ATOM 0 H ASP A 42 -3.678 -6.371 -5.923 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.460 -3.864 -6.845 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -3.009 -5.554 -8.061 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -4.433 -6.534 -8.345 1.00 0.00 H new ATOM 630 N GLU A 43 -6.819 -6.186 -7.193 1.00 0.00 N ATOM 631 CA GLU A 43 -8.245 -6.337 -7.446 1.00 0.00 C ATOM 632 C GLU A 43 -9.070 -5.591 -6.389 1.00 0.00 C ATOM 633 O GLU A 43 -10.002 -4.868 -6.747 1.00 0.00 O ATOM 634 CB GLU A 43 -8.610 -7.817 -7.578 1.00 0.00 C ATOM 635 CG GLU A 43 -8.585 -8.580 -6.255 1.00 0.00 C ATOM 636 CD GLU A 43 -8.811 -10.070 -6.461 1.00 0.00 C ATOM 637 OE1 GLU A 43 -7.807 -10.766 -6.726 1.00 0.00 O ATOM 638 OE2 GLU A 43 -9.983 -10.489 -6.342 1.00 0.00 O ATOM 0 H GLU A 43 -6.312 -7.062 -7.065 1.00 0.00 H new ATOM 0 HA GLU A 43 -8.495 -5.873 -8.400 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -9.605 -7.898 -8.014 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -7.917 -8.292 -8.273 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -7.626 -8.422 -5.762 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -9.354 -8.184 -5.592 1.00 0.00 H new ATOM 645 N ILE A 44 -8.710 -5.694 -5.103 1.00 0.00 N ATOM 646 CA ILE A 44 -9.381 -4.924 -4.061 1.00 0.00 C ATOM 647 C ILE A 44 -9.289 -3.444 -4.422 1.00 0.00 C ATOM 648 O ILE A 44 -10.282 -2.716 -4.413 1.00 0.00 O ATOM 649 CB ILE A 44 -8.741 -5.221 -2.693 1.00 0.00 C ATOM 650 CG1 ILE A 44 -9.175 -6.633 -2.265 1.00 0.00 C ATOM 651 CG2 ILE A 44 -9.162 -4.188 -1.632 1.00 0.00 C ATOM 652 CD1 ILE A 44 -8.588 -7.007 -0.907 1.00 0.00 C ATOM 0 H ILE A 44 -7.962 -6.300 -4.766 1.00 0.00 H new ATOM 0 HA ILE A 44 -10.432 -5.204 -3.991 1.00 0.00 H new ATOM 0 HB ILE A 44 -7.656 -5.161 -2.781 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -10.263 -6.683 -2.219 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -8.854 -7.357 -3.014 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -8.690 -4.431 -0.680 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -8.849 -3.193 -1.948 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -10.246 -4.207 -1.515 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -8.914 -8.011 -0.634 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -7.500 -6.981 -0.961 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -8.931 -6.297 -0.154 1.00 0.00 H new ATOM 664 N ALA A 45 -8.088 -2.976 -4.753 1.00 0.00 N ATOM 665 CA ALA A 45 -7.916 -1.588 -5.129 1.00 0.00 C ATOM 666 C ALA A 45 -8.779 -1.219 -6.335 1.00 0.00 C ATOM 667 O ALA A 45 -9.267 -0.093 -6.411 1.00 0.00 O ATOM 668 CB ALA A 45 -6.450 -1.326 -5.404 1.00 0.00 C ATOM 0 H ALA A 45 -7.234 -3.534 -4.767 1.00 0.00 H new ATOM 0 HA ALA A 45 -8.246 -0.957 -4.304 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -6.314 -0.282 -5.688 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -5.868 -1.537 -4.507 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -6.111 -1.970 -6.216 1.00 0.00 H new ATOM 674 N GLY A 46 -8.959 -2.149 -7.275 1.00 0.00 N ATOM 675 CA GLY A 46 -9.835 -1.987 -8.420 1.00 0.00 C ATOM 676 C GLY A 46 -11.254 -1.729 -7.924 1.00 0.00 C ATOM 677 O GLY A 46 -11.898 -0.779 -8.367 1.00 0.00 O ATOM 0 H GLY A 46 -8.486 -3.053 -7.254 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -9.496 -1.157 -9.040 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -9.810 -2.881 -9.043 1.00 0.00 H new ATOM 681 N GLU A 47 -11.727 -2.562 -6.987 1.00 0.00 N ATOM 682 CA GLU A 47 -13.038 -2.393 -6.375 1.00 0.00 C ATOM 683 C GLU A 47 -13.140 -0.982 -5.778 1.00 0.00 C ATOM 684 O GLU A 47 -14.111 -0.274 -6.039 1.00 0.00 O ATOM 685 CB GLU A 47 -13.302 -3.496 -5.332 1.00 0.00 C ATOM 686 CG GLU A 47 -13.398 -4.887 -5.990 1.00 0.00 C ATOM 687 CD GLU A 47 -13.547 -6.042 -4.994 1.00 0.00 C ATOM 688 OE1 GLU A 47 -12.957 -5.942 -3.895 1.00 0.00 O ATOM 689 OE2 GLU A 47 -14.234 -7.022 -5.360 1.00 0.00 O ATOM 0 H GLU A 47 -11.208 -3.368 -6.638 1.00 0.00 H new ATOM 0 HA GLU A 47 -13.815 -2.495 -7.133 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -12.502 -3.497 -4.592 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -14.228 -3.280 -4.799 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -14.249 -4.897 -6.671 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -12.505 -5.054 -6.593 1.00 0.00 H new ATOM 696 N TYR A 48 -12.132 -0.545 -5.020 1.00 0.00 N ATOM 697 CA TYR A 48 -12.093 0.803 -4.437 1.00 0.00 C ATOM 698 C TYR A 48 -11.556 1.835 -5.445 1.00 0.00 C ATOM 699 O TYR A 48 -10.560 2.541 -5.231 1.00 0.00 O ATOM 700 CB TYR A 48 -11.337 0.772 -3.104 1.00 0.00 C ATOM 701 CG TYR A 48 -12.067 -0.055 -2.059 1.00 0.00 C ATOM 702 CD1 TYR A 48 -13.266 0.427 -1.496 1.00 0.00 C ATOM 703 CD2 TYR A 48 -11.699 -1.395 -1.851 1.00 0.00 C ATOM 704 CE1 TYR A 48 -14.143 -0.454 -0.838 1.00 0.00 C ATOM 705 CE2 TYR A 48 -12.593 -2.284 -1.232 1.00 0.00 C ATOM 706 CZ TYR A 48 -13.834 -1.823 -0.769 1.00 0.00 C ATOM 707 OH TYR A 48 -14.746 -2.733 -0.329 1.00 0.00 O ATOM 0 H TYR A 48 -11.317 -1.115 -4.791 1.00 0.00 H new ATOM 0 HA TYR A 48 -13.106 1.135 -4.211 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -10.340 0.361 -3.261 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -11.207 1.790 -2.736 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -13.512 1.476 -1.570 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -10.727 -1.742 -2.168 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -15.050 -0.080 -0.388 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -12.325 -3.323 -1.112 1.00 0.00 H new ATOM 0 HH TYR A 48 -15.550 -2.267 -0.019 1.00 0.00 H new ATOM 717 N LYS A 49 -12.271 1.923 -6.567 1.00 0.00 N ATOM 718 CA LYS A 49 -11.997 2.860 -7.644 1.00 0.00 C ATOM 719 C LYS A 49 -12.049 4.309 -7.137 1.00 0.00 C ATOM 720 O LYS A 49 -12.653 4.609 -6.106 1.00 0.00 O ATOM 721 CB LYS A 49 -12.950 2.626 -8.834 1.00 0.00 C ATOM 722 CG LYS A 49 -14.376 2.144 -8.518 1.00 0.00 C ATOM 723 CD LYS A 49 -15.159 3.085 -7.592 1.00 0.00 C ATOM 724 CE LYS A 49 -16.537 2.504 -7.260 1.00 0.00 C ATOM 725 NZ LYS A 49 -16.434 1.378 -6.313 1.00 0.00 N ATOM 0 H LYS A 49 -13.077 1.326 -6.752 1.00 0.00 H new ATOM 0 HA LYS A 49 -10.984 2.683 -8.005 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -13.026 3.559 -9.392 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -12.487 1.895 -9.497 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -14.926 2.029 -9.452 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -14.322 1.158 -8.057 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -14.597 3.247 -6.672 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -15.276 4.058 -8.070 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -17.169 3.283 -6.833 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -17.022 2.167 -8.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -17.079 0.617 -6.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -15.458 1.020 -6.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -16.693 1.702 -5.359 1.00 0.00 H new ATOM 739 N ASP A 50 -11.337 5.184 -7.857 1.00 0.00 N ATOM 740 CA ASP A 50 -11.214 6.629 -7.688 1.00 0.00 C ATOM 741 C ASP A 50 -10.460 7.034 -6.425 1.00 0.00 C ATOM 742 O ASP A 50 -9.478 7.766 -6.501 1.00 0.00 O ATOM 743 CB ASP A 50 -12.593 7.306 -7.725 1.00 0.00 C ATOM 744 CG ASP A 50 -13.282 7.106 -9.070 1.00 0.00 C ATOM 745 OD1 ASP A 50 -12.985 7.902 -9.986 1.00 0.00 O ATOM 746 OD2 ASP A 50 -14.072 6.141 -9.161 1.00 0.00 O ATOM 0 H ASP A 50 -10.780 4.862 -8.649 1.00 0.00 H new ATOM 0 HA ASP A 50 -10.617 6.977 -8.531 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -13.220 6.900 -6.931 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -12.481 8.372 -7.528 1.00 0.00 H new ATOM 751 N LYS A 51 -10.908 6.558 -5.268 1.00 0.00 N ATOM 752 CA LYS A 51 -10.378 7.006 -3.988 1.00 0.00 C ATOM 753 C LYS A 51 -9.095 6.285 -3.599 1.00 0.00 C ATOM 754 O LYS A 51 -8.093 6.905 -3.267 1.00 0.00 O ATOM 755 CB LYS A 51 -11.423 6.828 -2.877 1.00 0.00 C ATOM 756 CG LYS A 51 -12.775 7.482 -3.206 1.00 0.00 C ATOM 757 CD LYS A 51 -13.876 7.000 -2.250 1.00 0.00 C ATOM 758 CE LYS A 51 -14.694 5.834 -2.827 1.00 0.00 C ATOM 759 NZ LYS A 51 -13.861 4.682 -3.217 1.00 0.00 N ATOM 0 H LYS A 51 -11.644 5.856 -5.192 1.00 0.00 H new ATOM 0 HA LYS A 51 -10.140 8.063 -4.106 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -11.576 5.764 -2.698 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -11.036 7.255 -1.952 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -12.682 8.566 -3.140 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -13.054 7.248 -4.233 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -13.423 6.690 -1.308 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -14.545 7.831 -2.024 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -15.427 5.511 -2.088 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -15.251 6.183 -3.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -14.472 3.865 -3.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -13.310 4.923 -4.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -13.213 4.443 -2.440 1.00 0.00 H new ATOM 773 N LEU A 52 -9.125 4.959 -3.602 1.00 0.00 N ATOM 774 CA LEU A 52 -7.997 4.218 -3.058 1.00 0.00 C ATOM 775 C LEU A 52 -6.870 4.123 -4.083 1.00 0.00 C ATOM 776 O LEU A 52 -6.917 3.276 -4.981 1.00 0.00 O ATOM 777 CB LEU A 52 -8.460 2.846 -2.558 1.00 0.00 C ATOM 778 CG LEU A 52 -7.397 2.201 -1.654 1.00 0.00 C ATOM 779 CD1 LEU A 52 -7.540 2.701 -0.210 1.00 0.00 C ATOM 780 CD2 LEU A 52 -7.554 0.680 -1.682 1.00 0.00 C ATOM 0 H LEU A 52 -9.891 4.390 -3.962 1.00 0.00 H new ATOM 0 HA LEU A 52 -7.592 4.754 -2.199 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -9.395 2.952 -2.007 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.663 2.195 -3.408 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.411 2.478 -2.026 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -6.779 2.233 0.414 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -7.414 3.783 -0.186 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -8.529 2.442 0.168 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.800 0.224 -1.041 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -8.547 0.410 -1.322 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -7.428 0.320 -2.703 1.00 0.00 H new ATOM 792 N LYS A 53 -5.857 4.983 -3.957 1.00 0.00 N ATOM 793 CA LYS A 53 -4.696 4.949 -4.825 1.00 0.00 C ATOM 794 C LYS A 53 -3.788 3.837 -4.318 1.00 0.00 C ATOM 795 O LYS A 53 -2.892 4.045 -3.507 1.00 0.00 O ATOM 796 CB LYS A 53 -4.013 6.324 -4.860 1.00 0.00 C ATOM 797 CG LYS A 53 -3.347 6.614 -6.213 1.00 0.00 C ATOM 798 CD LYS A 53 -2.152 5.689 -6.491 1.00 0.00 C ATOM 799 CE LYS A 53 -1.561 5.926 -7.884 1.00 0.00 C ATOM 800 NZ LYS A 53 -2.473 5.465 -8.947 1.00 0.00 N ATOM 0 H LYS A 53 -5.826 5.718 -3.250 1.00 0.00 H new ATOM 0 HA LYS A 53 -4.969 4.735 -5.858 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -4.750 7.098 -4.648 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -3.263 6.374 -4.071 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -4.083 6.500 -7.009 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -3.012 7.651 -6.235 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.382 5.853 -5.737 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -2.469 4.650 -6.402 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -1.355 6.988 -8.016 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -0.608 5.403 -7.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -1.978 5.483 -9.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -2.784 4.494 -8.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -3.301 6.092 -8.990 1.00 0.00 H new ATOM 814 N CYS A 54 -4.014 2.617 -4.783 1.00 0.00 N ATOM 815 CA CYS A 54 -3.189 1.525 -4.309 1.00 0.00 C ATOM 816 C CYS A 54 -1.846 1.574 -5.031 1.00 0.00 C ATOM 817 O CYS A 54 -1.749 2.108 -6.140 1.00 0.00 O ATOM 818 CB CYS A 54 -3.915 0.220 -4.540 1.00 0.00 C ATOM 819 SG CYS A 54 -2.939 -1.120 -3.858 1.00 0.00 S ATOM 0 H CYS A 54 -4.733 2.367 -5.462 1.00 0.00 H new ATOM 0 HA CYS A 54 -2.999 1.612 -3.239 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -4.898 0.247 -4.069 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -4.077 0.063 -5.606 1.00 0.00 H new ATOM 0 HG CYS A 54 -2.179 -0.663 -2.908 1.00 0.00 H new ATOM 825 N VAL A 55 -0.787 1.073 -4.400 1.00 0.00 N ATOM 826 CA VAL A 55 0.540 1.134 -4.966 1.00 0.00 C ATOM 827 C VAL A 55 1.412 0.059 -4.345 1.00 0.00 C ATOM 828 O VAL A 55 1.056 -0.522 -3.323 1.00 0.00 O ATOM 829 CB VAL A 55 1.180 2.525 -4.744 1.00 0.00 C ATOM 830 CG1 VAL A 55 1.650 3.083 -6.085 1.00 0.00 C ATOM 831 CG2 VAL A 55 0.305 3.579 -4.053 1.00 0.00 C ATOM 0 H VAL A 55 -0.833 0.618 -3.488 1.00 0.00 H new ATOM 0 HA VAL A 55 0.461 0.965 -6.040 1.00 0.00 H new ATOM 0 HB VAL A 55 2.000 2.339 -4.051 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.102 4.063 -5.933 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.386 2.408 -6.522 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.798 3.176 -6.759 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.865 4.509 -3.955 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.591 3.755 -4.648 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.019 3.222 -3.064 1.00 0.00 H new ATOM 841 N LYS A 56 2.562 -0.186 -4.967 1.00 0.00 N ATOM 842 CA LYS A 56 3.547 -1.153 -4.526 1.00 0.00 C ATOM 843 C LYS A 56 4.928 -0.493 -4.494 1.00 0.00 C ATOM 844 O LYS A 56 5.402 0.007 -5.516 1.00 0.00 O ATOM 845 CB LYS A 56 3.498 -2.339 -5.483 1.00 0.00 C ATOM 846 CG LYS A 56 2.367 -3.290 -5.078 1.00 0.00 C ATOM 847 CD LYS A 56 2.021 -4.292 -6.183 1.00 0.00 C ATOM 848 CE LYS A 56 0.873 -3.802 -7.077 1.00 0.00 C ATOM 849 NZ LYS A 56 1.256 -2.676 -7.947 1.00 0.00 N ATOM 0 H LYS A 56 2.837 0.302 -5.819 1.00 0.00 H new ATOM 0 HA LYS A 56 3.336 -1.508 -3.517 1.00 0.00 H new ATOM 0 HB2 LYS A 56 3.342 -1.988 -6.503 1.00 0.00 H new ATOM 0 HB3 LYS A 56 4.451 -2.867 -5.470 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.657 -3.832 -4.178 1.00 0.00 H new ATOM 0 HG3 LYS A 56 1.480 -2.709 -4.828 1.00 0.00 H new ATOM 0 HD2 LYS A 56 2.904 -4.472 -6.796 1.00 0.00 H new ATOM 0 HD3 LYS A 56 1.746 -5.245 -5.732 1.00 0.00 H new ATOM 0 HE2 LYS A 56 0.524 -4.629 -7.696 1.00 0.00 H new ATOM 0 HE3 LYS A 56 0.035 -3.499 -6.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 0.509 -2.512 -8.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 1.383 -1.820 -7.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 2.147 -2.901 -8.434 1.00 0.00 H new ATOM 863 N LEU A 57 5.561 -0.487 -3.318 1.00 0.00 N ATOM 864 CA LEU A 57 6.878 0.098 -3.082 1.00 0.00 C ATOM 865 C LEU A 57 7.911 -1.005 -2.870 1.00 0.00 C ATOM 866 O LEU A 57 7.797 -1.805 -1.944 1.00 0.00 O ATOM 867 CB LEU A 57 6.814 1.012 -1.853 1.00 0.00 C ATOM 868 CG LEU A 57 8.128 1.709 -1.497 1.00 0.00 C ATOM 869 CD1 LEU A 57 8.683 2.510 -2.669 1.00 0.00 C ATOM 870 CD2 LEU A 57 7.860 2.666 -0.339 1.00 0.00 C ATOM 0 H LEU A 57 5.156 -0.903 -2.479 1.00 0.00 H new ATOM 0 HA LEU A 57 7.175 0.686 -3.950 1.00 0.00 H new ATOM 0 HB2 LEU A 57 6.052 1.772 -2.023 1.00 0.00 H new ATOM 0 HB3 LEU A 57 6.490 0.421 -0.996 1.00 0.00 H new ATOM 0 HG LEU A 57 8.861 0.947 -1.232 1.00 0.00 H new ATOM 0 HD11 LEU A 57 9.616 2.989 -2.373 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.868 1.843 -3.511 1.00 0.00 H new ATOM 0 HD13 LEU A 57 7.962 3.272 -2.963 1.00 0.00 H new ATOM 0 HD21 LEU A 57 8.784 3.176 -0.067 1.00 0.00 H new ATOM 0 HD22 LEU A 57 7.115 3.402 -0.640 1.00 0.00 H new ATOM 0 HD23 LEU A 57 7.489 2.105 0.519 1.00 0.00 H new ATOM 882 N ASN A 58 8.927 -1.074 -3.733 1.00 0.00 N ATOM 883 CA ASN A 58 9.975 -2.075 -3.576 1.00 0.00 C ATOM 884 C ASN A 58 10.874 -1.667 -2.406 1.00 0.00 C ATOM 885 O ASN A 58 11.596 -0.678 -2.469 1.00 0.00 O ATOM 886 CB ASN A 58 10.746 -2.248 -4.880 1.00 0.00 C ATOM 887 CG ASN A 58 11.794 -3.350 -4.738 1.00 0.00 C ATOM 888 OD1 ASN A 58 12.616 -3.336 -3.827 1.00 0.00 O ATOM 889 ND2 ASN A 58 11.766 -4.342 -5.618 1.00 0.00 N ATOM 0 H ASN A 58 9.043 -0.456 -4.536 1.00 0.00 H new ATOM 0 HA ASN A 58 9.542 -3.048 -3.346 1.00 0.00 H new ATOM 0 HB2 ASN A 58 10.057 -2.495 -5.687 1.00 0.00 H new ATOM 0 HB3 ASN A 58 11.230 -1.310 -5.151 1.00 0.00 H new ATOM 0 HD21 ASN A 58 12.434 -5.109 -5.544 1.00 0.00 H new ATOM 0 HD22 ASN A 58 11.076 -4.338 -6.369 1.00 0.00 H new ATOM 896 N THR A 59 10.829 -2.461 -1.342 1.00 0.00 N ATOM 897 CA THR A 59 11.484 -2.201 -0.068 1.00 0.00 C ATOM 898 C THR A 59 13.007 -2.316 -0.186 1.00 0.00 C ATOM 899 O THR A 59 13.738 -1.650 0.540 1.00 0.00 O ATOM 900 CB THR A 59 10.892 -3.170 0.978 1.00 0.00 C ATOM 901 OG1 THR A 59 9.480 -3.113 0.901 1.00 0.00 O ATOM 902 CG2 THR A 59 11.300 -2.789 2.403 1.00 0.00 C ATOM 0 H THR A 59 10.313 -3.341 -1.345 1.00 0.00 H new ATOM 0 HA THR A 59 11.297 -1.176 0.251 1.00 0.00 H new ATOM 0 HB THR A 59 11.271 -4.169 0.761 1.00 0.00 H new ATOM 0 HG1 THR A 59 9.167 -3.713 0.192 1.00 0.00 H new ATOM 0 HG21 THR A 59 10.863 -3.496 3.108 1.00 0.00 H new ATOM 0 HG22 THR A 59 12.386 -2.815 2.490 1.00 0.00 H new ATOM 0 HG23 THR A 59 10.942 -1.784 2.628 1.00 0.00 H new ATOM 910 N ASP A 60 13.491 -3.142 -1.114 1.00 0.00 N ATOM 911 CA ASP A 60 14.915 -3.374 -1.325 1.00 0.00 C ATOM 912 C ASP A 60 15.539 -2.189 -2.076 1.00 0.00 C ATOM 913 O ASP A 60 16.635 -1.727 -1.768 1.00 0.00 O ATOM 914 CB ASP A 60 15.050 -4.681 -2.116 1.00 0.00 C ATOM 915 CG ASP A 60 16.388 -5.370 -1.882 1.00 0.00 C ATOM 916 OD1 ASP A 60 17.428 -4.766 -2.223 1.00 0.00 O ATOM 917 OD2 ASP A 60 16.333 -6.503 -1.353 1.00 0.00 O ATOM 0 H ASP A 60 12.895 -3.675 -1.747 1.00 0.00 H new ATOM 0 HA ASP A 60 15.446 -3.461 -0.377 1.00 0.00 H new ATOM 0 HB2 ASP A 60 14.243 -5.357 -1.834 1.00 0.00 H new ATOM 0 HB3 ASP A 60 14.934 -4.472 -3.179 1.00 0.00 H new ATOM 922 N GLU A 61 14.786 -1.694 -3.061 1.00 0.00 N ATOM 923 CA GLU A 61 15.116 -0.592 -3.956 1.00 0.00 C ATOM 924 C GLU A 61 14.814 0.775 -3.327 1.00 0.00 C ATOM 925 O GLU A 61 15.407 1.784 -3.701 1.00 0.00 O ATOM 926 CB GLU A 61 14.273 -0.797 -5.216 1.00 0.00 C ATOM 927 CG GLU A 61 14.560 0.177 -6.363 1.00 0.00 C ATOM 928 CD GLU A 61 13.693 -0.148 -7.577 1.00 0.00 C ATOM 929 OE1 GLU A 61 12.525 -0.536 -7.347 1.00 0.00 O ATOM 930 OE2 GLU A 61 14.213 -0.011 -8.705 1.00 0.00 O ATOM 0 H GLU A 61 13.865 -2.083 -3.265 1.00 0.00 H new ATOM 0 HA GLU A 61 16.184 -0.593 -4.175 1.00 0.00 H new ATOM 0 HB2 GLU A 61 14.430 -1.813 -5.577 1.00 0.00 H new ATOM 0 HB3 GLU A 61 13.220 -0.714 -4.946 1.00 0.00 H new ATOM 0 HG2 GLU A 61 14.368 1.199 -6.036 1.00 0.00 H new ATOM 0 HG3 GLU A 61 15.614 0.123 -6.637 1.00 0.00 H new ATOM 937 N SER A 62 13.852 0.837 -2.406 1.00 0.00 N ATOM 938 CA SER A 62 13.441 2.040 -1.704 1.00 0.00 C ATOM 939 C SER A 62 13.348 1.755 -0.199 1.00 0.00 C ATOM 940 O SER A 62 12.283 1.892 0.400 1.00 0.00 O ATOM 941 CB SER A 62 12.135 2.533 -2.321 1.00 0.00 C ATOM 942 OG SER A 62 12.426 2.994 -3.632 1.00 0.00 O ATOM 0 H SER A 62 13.320 0.014 -2.122 1.00 0.00 H new ATOM 0 HA SER A 62 14.174 2.840 -1.812 1.00 0.00 H new ATOM 0 HB2 SER A 62 11.399 1.729 -2.352 1.00 0.00 H new ATOM 0 HB3 SER A 62 11.706 3.335 -1.720 1.00 0.00 H new ATOM 0 HG SER A 62 13.278 3.479 -3.627 1.00 0.00 H new ATOM 948 N PRO A 63 14.488 1.393 0.410 1.00 0.00 N ATOM 949 CA PRO A 63 14.637 1.123 1.827 1.00 0.00 C ATOM 950 C PRO A 63 14.464 2.402 2.618 1.00 0.00 C ATOM 951 O PRO A 63 13.999 2.392 3.746 1.00 0.00 O ATOM 952 CB PRO A 63 16.065 0.618 1.986 1.00 0.00 C ATOM 953 CG PRO A 63 16.843 1.264 0.845 1.00 0.00 C ATOM 954 CD PRO A 63 15.781 1.299 -0.251 1.00 0.00 C ATOM 0 HA PRO A 63 13.899 0.406 2.186 1.00 0.00 H new ATOM 0 HB2 PRO A 63 16.478 0.901 2.954 1.00 0.00 H new ATOM 0 HB3 PRO A 63 16.108 -0.470 1.926 1.00 0.00 H new ATOM 0 HG2 PRO A 63 17.202 2.260 1.103 1.00 0.00 H new ATOM 0 HG3 PRO A 63 17.714 0.676 0.556 1.00 0.00 H new ATOM 0 HD2 PRO A 63 15.938 2.151 -0.913 1.00 0.00 H new ATOM 0 HD3 PRO A 63 15.834 0.402 -0.868 1.00 0.00 H new ATOM 962 N ASN A 64 14.906 3.490 2.005 1.00 0.00 N ATOM 963 CA ASN A 64 14.843 4.867 2.489 1.00 0.00 C ATOM 964 C ASN A 64 13.633 5.101 3.388 1.00 0.00 C ATOM 965 O ASN A 64 13.741 5.195 4.613 1.00 0.00 O ATOM 966 CB ASN A 64 14.783 5.820 1.286 1.00 0.00 C ATOM 967 CG ASN A 64 16.083 5.891 0.492 1.00 0.00 C ATOM 968 OD1 ASN A 64 16.969 5.055 0.640 1.00 0.00 O ATOM 969 ND2 ASN A 64 16.187 6.879 -0.388 1.00 0.00 N ATOM 0 H ASN A 64 15.351 3.433 1.089 1.00 0.00 H new ATOM 0 HA ASN A 64 15.736 5.058 3.084 1.00 0.00 H new ATOM 0 HB2 ASN A 64 13.979 5.502 0.622 1.00 0.00 H new ATOM 0 HB3 ASN A 64 14.528 6.820 1.638 1.00 0.00 H new ATOM 0 HD21 ASN A 64 17.023 6.960 -0.967 1.00 0.00 H new ATOM 0 HD22 ASN A 64 15.431 7.557 -0.485 1.00 0.00 H new ATOM 976 N VAL A 65 12.460 5.161 2.766 1.00 0.00 N ATOM 977 CA VAL A 65 11.234 5.476 3.471 1.00 0.00 C ATOM 978 C VAL A 65 10.881 4.359 4.443 1.00 0.00 C ATOM 979 O VAL A 65 10.382 4.626 5.532 1.00 0.00 O ATOM 980 CB VAL A 65 10.119 5.788 2.464 1.00 0.00 C ATOM 981 CG1 VAL A 65 10.183 7.280 2.129 1.00 0.00 C ATOM 982 CG2 VAL A 65 10.213 4.976 1.166 1.00 0.00 C ATOM 0 H VAL A 65 12.338 4.993 1.767 1.00 0.00 H new ATOM 0 HA VAL A 65 11.369 6.373 4.076 1.00 0.00 H new ATOM 0 HB VAL A 65 9.173 5.512 2.930 1.00 0.00 H new ATOM 0 HG11 VAL A 65 9.398 7.526 1.413 1.00 0.00 H new ATOM 0 HG12 VAL A 65 10.041 7.864 3.039 1.00 0.00 H new ATOM 0 HG13 VAL A 65 11.155 7.514 1.696 1.00 0.00 H new ATOM 0 HG21 VAL A 65 9.392 5.251 0.504 1.00 0.00 H new ATOM 0 HG22 VAL A 65 11.162 5.186 0.673 1.00 0.00 H new ATOM 0 HG23 VAL A 65 10.152 3.912 1.397 1.00 0.00 H new ATOM 992 N ALA A 66 11.165 3.110 4.069 1.00 0.00 N ATOM 993 CA ALA A 66 10.924 1.972 4.946 1.00 0.00 C ATOM 994 C ALA A 66 11.669 2.187 6.268 1.00 0.00 C ATOM 995 O ALA A 66 11.122 1.950 7.337 1.00 0.00 O ATOM 996 CB ALA A 66 11.346 0.672 4.251 1.00 0.00 C ATOM 0 H ALA A 66 11.563 2.865 3.162 1.00 0.00 H new ATOM 0 HA ALA A 66 9.860 1.887 5.167 1.00 0.00 H new ATOM 0 HB1 ALA A 66 11.162 -0.172 4.915 1.00 0.00 H new ATOM 0 HB2 ALA A 66 10.769 0.545 3.335 1.00 0.00 H new ATOM 0 HB3 ALA A 66 12.408 0.717 4.008 1.00 0.00 H new ATOM 1002 N SER A 67 12.900 2.694 6.198 1.00 0.00 N ATOM 1003 CA SER A 67 13.731 2.977 7.353 1.00 0.00 C ATOM 1004 C SER A 67 13.130 4.137 8.143 1.00 0.00 C ATOM 1005 O SER A 67 12.999 4.057 9.360 1.00 0.00 O ATOM 1006 CB SER A 67 15.163 3.286 6.898 1.00 0.00 C ATOM 1007 OG SER A 67 15.630 2.276 6.023 1.00 0.00 O ATOM 0 H SER A 67 13.351 2.922 5.312 1.00 0.00 H new ATOM 0 HA SER A 67 13.768 2.106 8.007 1.00 0.00 H new ATOM 0 HB2 SER A 67 15.191 4.253 6.396 1.00 0.00 H new ATOM 0 HB3 SER A 67 15.820 3.358 7.765 1.00 0.00 H new ATOM 0 HG SER A 67 15.163 2.346 5.164 1.00 0.00 H new ATOM 1013 N GLU A 68 12.757 5.210 7.439 1.00 0.00 N ATOM 1014 CA GLU A 68 12.145 6.391 8.045 1.00 0.00 C ATOM 1015 C GLU A 68 10.887 6.014 8.840 1.00 0.00 C ATOM 1016 O GLU A 68 10.681 6.512 9.944 1.00 0.00 O ATOM 1017 CB GLU A 68 11.789 7.408 6.954 1.00 0.00 C ATOM 1018 CG GLU A 68 13.035 8.013 6.290 1.00 0.00 C ATOM 1019 CD GLU A 68 12.686 8.729 4.989 1.00 0.00 C ATOM 1020 OE1 GLU A 68 11.774 9.583 5.036 1.00 0.00 O ATOM 1021 OE2 GLU A 68 13.324 8.399 3.965 1.00 0.00 O ATOM 0 H GLU A 68 12.873 5.282 6.428 1.00 0.00 H new ATOM 0 HA GLU A 68 12.863 6.834 8.735 1.00 0.00 H new ATOM 0 HB2 GLU A 68 11.175 6.923 6.195 1.00 0.00 H new ATOM 0 HB3 GLU A 68 11.187 8.207 7.388 1.00 0.00 H new ATOM 0 HG2 GLU A 68 13.509 8.715 6.976 1.00 0.00 H new ATOM 0 HG3 GLU A 68 13.760 7.224 6.089 1.00 0.00 H new ATOM 1028 N TYR A 69 10.047 5.142 8.277 1.00 0.00 N ATOM 1029 CA TYR A 69 8.807 4.712 8.910 1.00 0.00 C ATOM 1030 C TYR A 69 9.071 3.658 9.988 1.00 0.00 C ATOM 1031 O TYR A 69 8.359 3.626 10.988 1.00 0.00 O ATOM 1032 CB TYR A 69 7.854 4.148 7.846 1.00 0.00 C ATOM 1033 CG TYR A 69 7.027 5.193 7.120 1.00 0.00 C ATOM 1034 CD1 TYR A 69 6.003 5.875 7.804 1.00 0.00 C ATOM 1035 CD2 TYR A 69 7.265 5.478 5.764 1.00 0.00 C ATOM 1036 CE1 TYR A 69 5.251 6.864 7.146 1.00 0.00 C ATOM 1037 CE2 TYR A 69 6.558 6.510 5.125 1.00 0.00 C ATOM 1038 CZ TYR A 69 5.543 7.195 5.813 1.00 0.00 C ATOM 1039 OH TYR A 69 4.826 8.171 5.190 1.00 0.00 O ATOM 0 H TYR A 69 10.212 4.715 7.366 1.00 0.00 H new ATOM 0 HA TYR A 69 8.349 5.577 9.391 1.00 0.00 H new ATOM 0 HB2 TYR A 69 8.438 3.592 7.112 1.00 0.00 H new ATOM 0 HB3 TYR A 69 7.179 3.436 8.322 1.00 0.00 H new ATOM 0 HD1 TYR A 69 5.795 5.638 8.837 1.00 0.00 H new ATOM 0 HD2 TYR A 69 7.993 4.902 5.212 1.00 0.00 H new ATOM 0 HE1 TYR A 69 4.450 7.369 7.665 1.00 0.00 H new ATOM 0 HE2 TYR A 69 6.795 6.777 4.106 1.00 0.00 H new ATOM 0 HH TYR A 69 4.527 8.830 5.851 1.00 0.00 H new ATOM 1049 N GLY A 70 10.062 2.787 9.783 1.00 0.00 N ATOM 1050 CA GLY A 70 10.405 1.724 10.718 1.00 0.00 C ATOM 1051 C GLY A 70 9.771 0.417 10.261 1.00 0.00 C ATOM 1052 O GLY A 70 9.017 -0.213 10.998 1.00 0.00 O ATOM 0 H GLY A 70 10.653 2.804 8.952 1.00 0.00 H new ATOM 0 HA2 GLY A 70 11.488 1.613 10.777 1.00 0.00 H new ATOM 0 HA3 GLY A 70 10.055 1.979 11.718 1.00 0.00 H new ATOM 1056 N ILE A 71 10.081 0.023 9.027 1.00 0.00 N ATOM 1057 CA ILE A 71 9.570 -1.160 8.359 1.00 0.00 C ATOM 1058 C ILE A 71 10.767 -2.024 7.968 1.00 0.00 C ATOM 1059 O ILE A 71 11.829 -1.494 7.645 1.00 0.00 O ATOM 1060 CB ILE A 71 8.780 -0.738 7.104 1.00 0.00 C ATOM 1061 CG1 ILE A 71 7.762 0.374 7.424 1.00 0.00 C ATOM 1062 CG2 ILE A 71 8.092 -1.963 6.482 1.00 0.00 C ATOM 1063 CD1 ILE A 71 7.072 0.891 6.159 1.00 0.00 C ATOM 0 H ILE A 71 10.728 0.551 8.442 1.00 0.00 H new ATOM 0 HA ILE A 71 8.902 -1.721 9.013 1.00 0.00 H new ATOM 0 HB ILE A 71 9.481 -0.327 6.378 1.00 0.00 H new ATOM 0 HG12 ILE A 71 7.012 -0.007 8.117 1.00 0.00 H new ATOM 0 HG13 ILE A 71 8.269 1.199 7.925 1.00 0.00 H new ATOM 0 HG21 ILE A 71 7.536 -1.657 5.596 1.00 0.00 H new ATOM 0 HG22 ILE A 71 8.845 -2.700 6.202 1.00 0.00 H new ATOM 0 HG23 ILE A 71 7.407 -2.402 7.207 1.00 0.00 H new ATOM 0 HD11 ILE A 71 6.362 1.674 6.426 1.00 0.00 H new ATOM 0 HD12 ILE A 71 7.819 1.296 5.477 1.00 0.00 H new ATOM 0 HD13 ILE A 71 6.543 0.072 5.672 1.00 0.00 H new ATOM 1075 N ARG A 72 10.596 -3.347 7.994 1.00 0.00 N ATOM 1076 CA ARG A 72 11.610 -4.302 7.574 1.00 0.00 C ATOM 1077 C ARG A 72 10.890 -5.523 7.022 1.00 0.00 C ATOM 1078 O ARG A 72 11.039 -5.862 5.849 1.00 0.00 O ATOM 1079 CB ARG A 72 12.537 -4.660 8.748 1.00 0.00 C ATOM 1080 CG ARG A 72 13.374 -5.925 8.492 1.00 0.00 C ATOM 1081 CD ARG A 72 14.254 -5.820 7.237 1.00 0.00 C ATOM 1082 NE ARG A 72 14.848 -7.120 6.901 1.00 0.00 N ATOM 1083 CZ ARG A 72 14.262 -8.075 6.161 1.00 0.00 C ATOM 1084 NH1 ARG A 72 13.027 -7.919 5.669 1.00 0.00 N ATOM 1085 NH2 ARG A 72 14.931 -9.206 5.913 1.00 0.00 N ATOM 0 H ARG A 72 9.733 -3.787 8.314 1.00 0.00 H new ATOM 0 HA ARG A 72 12.248 -3.876 6.800 1.00 0.00 H new ATOM 0 HB2 ARG A 72 13.206 -3.822 8.943 1.00 0.00 H new ATOM 0 HB3 ARG A 72 11.937 -4.804 9.646 1.00 0.00 H new ATOM 0 HG2 ARG A 72 14.008 -6.116 9.358 1.00 0.00 H new ATOM 0 HG3 ARG A 72 12.707 -6.781 8.390 1.00 0.00 H new ATOM 0 HD2 ARG A 72 13.657 -5.461 6.399 1.00 0.00 H new ATOM 0 HD3 ARG A 72 15.044 -5.087 7.402 1.00 0.00 H new ATOM 0 HE ARG A 72 15.783 -7.314 7.259 1.00 0.00 H new ATOM 0 HH11 ARG A 72 12.509 -7.060 5.854 1.00 0.00 H new ATOM 0 HH12 ARG A 72 12.604 -8.659 5.110 1.00 0.00 H new ATOM 0 HH21 ARG A 72 15.872 -9.334 6.284 1.00 0.00 H new ATOM 0 HH22 ARG A 72 14.500 -9.941 5.353 1.00 0.00 H new ATOM 1099 N SER A 73 10.145 -6.213 7.884 1.00 0.00 N ATOM 1100 CA SER A 73 9.348 -7.344 7.471 1.00 0.00 C ATOM 1101 C SER A 73 8.283 -6.823 6.510 1.00 0.00 C ATOM 1102 O SER A 73 7.779 -5.710 6.681 1.00 0.00 O ATOM 1103 CB SER A 73 8.710 -7.988 8.701 1.00 0.00 C ATOM 1104 OG SER A 73 9.552 -7.809 9.829 1.00 0.00 O ATOM 0 H SER A 73 10.083 -5.998 8.879 1.00 0.00 H new ATOM 0 HA SER A 73 9.955 -8.101 6.974 1.00 0.00 H new ATOM 0 HB2 SER A 73 7.733 -7.543 8.891 1.00 0.00 H new ATOM 0 HB3 SER A 73 8.547 -9.051 8.523 1.00 0.00 H new ATOM 0 HG SER A 73 9.248 -7.033 10.345 1.00 0.00 H new ATOM 1110 N ILE A 74 7.940 -7.625 5.509 1.00 0.00 N ATOM 1111 CA ILE A 74 6.958 -7.267 4.509 1.00 0.00 C ATOM 1112 C ILE A 74 6.189 -8.549 4.169 1.00 0.00 C ATOM 1113 O ILE A 74 6.721 -9.637 4.393 1.00 0.00 O ATOM 1114 CB ILE A 74 7.638 -6.580 3.301 1.00 0.00 C ATOM 1115 CG1 ILE A 74 8.995 -7.172 2.890 1.00 0.00 C ATOM 1116 CG2 ILE A 74 7.833 -5.088 3.621 1.00 0.00 C ATOM 1117 CD1 ILE A 74 9.334 -6.766 1.453 1.00 0.00 C ATOM 0 H ILE A 74 8.344 -8.552 5.373 1.00 0.00 H new ATOM 0 HA ILE A 74 6.244 -6.526 4.869 1.00 0.00 H new ATOM 0 HB ILE A 74 6.970 -6.745 2.456 1.00 0.00 H new ATOM 0 HG12 ILE A 74 9.773 -6.822 3.568 1.00 0.00 H new ATOM 0 HG13 ILE A 74 8.966 -8.259 2.972 1.00 0.00 H new ATOM 0 HG21 ILE A 74 8.312 -4.594 2.776 1.00 0.00 H new ATOM 0 HG22 ILE A 74 6.864 -4.627 3.809 1.00 0.00 H new ATOM 0 HG23 ILE A 74 8.462 -4.985 4.505 1.00 0.00 H new ATOM 0 HD11 ILE A 74 10.298 -7.191 1.173 1.00 0.00 H new ATOM 0 HD12 ILE A 74 8.563 -7.138 0.778 1.00 0.00 H new ATOM 0 HD13 ILE A 74 9.383 -5.679 1.384 1.00 0.00 H new ATOM 1129 N PRO A 75 4.947 -8.473 3.659 1.00 0.00 N ATOM 1130 CA PRO A 75 4.221 -7.262 3.311 1.00 0.00 C ATOM 1131 C PRO A 75 3.855 -6.404 4.517 1.00 0.00 C ATOM 1132 O PRO A 75 3.543 -6.906 5.596 1.00 0.00 O ATOM 1133 CB PRO A 75 2.957 -7.712 2.578 1.00 0.00 C ATOM 1134 CG PRO A 75 2.732 -9.133 3.094 1.00 0.00 C ATOM 1135 CD PRO A 75 4.148 -9.646 3.352 1.00 0.00 C ATOM 0 HA PRO A 75 4.858 -6.629 2.693 1.00 0.00 H new ATOM 0 HB2 PRO A 75 2.110 -7.064 2.804 1.00 0.00 H new ATOM 0 HB3 PRO A 75 3.092 -7.694 1.497 1.00 0.00 H new ATOM 0 HG2 PRO A 75 2.131 -9.140 4.003 1.00 0.00 H new ATOM 0 HG3 PRO A 75 2.209 -9.748 2.362 1.00 0.00 H new ATOM 0 HD2 PRO A 75 4.162 -10.355 4.180 1.00 0.00 H new ATOM 0 HD3 PRO A 75 4.540 -10.168 2.479 1.00 0.00 H new ATOM 1143 N THR A 76 3.962 -5.099 4.292 1.00 0.00 N ATOM 1144 CA THR A 76 3.585 -4.035 5.198 1.00 0.00 C ATOM 1145 C THR A 76 2.814 -3.080 4.293 1.00 0.00 C ATOM 1146 O THR A 76 3.398 -2.373 3.470 1.00 0.00 O ATOM 1147 CB THR A 76 4.809 -3.409 5.890 1.00 0.00 C ATOM 1148 OG1 THR A 76 5.361 -4.336 6.810 1.00 0.00 O ATOM 1149 CG2 THR A 76 4.396 -2.161 6.675 1.00 0.00 C ATOM 0 H THR A 76 4.339 -4.740 3.415 1.00 0.00 H new ATOM 0 HA THR A 76 2.980 -4.362 6.044 1.00 0.00 H new ATOM 0 HB THR A 76 5.537 -3.145 5.123 1.00 0.00 H new ATOM 0 HG1 THR A 76 6.236 -4.636 6.487 1.00 0.00 H new ATOM 0 HG21 THR A 76 5.272 -1.729 7.159 1.00 0.00 H new ATOM 0 HG22 THR A 76 3.961 -1.430 5.994 1.00 0.00 H new ATOM 0 HG23 THR A 76 3.661 -2.434 7.432 1.00 0.00 H new ATOM 1157 N ILE A 77 1.489 -3.148 4.388 1.00 0.00 N ATOM 1158 CA ILE A 77 0.552 -2.401 3.578 1.00 0.00 C ATOM 1159 C ILE A 77 0.131 -1.174 4.373 1.00 0.00 C ATOM 1160 O ILE A 77 -0.697 -1.295 5.274 1.00 0.00 O ATOM 1161 CB ILE A 77 -0.638 -3.313 3.221 1.00 0.00 C ATOM 1162 CG1 ILE A 77 -0.158 -4.510 2.376 1.00 0.00 C ATOM 1163 CG2 ILE A 77 -1.698 -2.518 2.450 1.00 0.00 C ATOM 1164 CD1 ILE A 77 -1.236 -5.580 2.175 1.00 0.00 C ATOM 0 H ILE A 77 1.026 -3.755 5.065 1.00 0.00 H new ATOM 0 HA ILE A 77 0.994 -2.068 2.639 1.00 0.00 H new ATOM 0 HB ILE A 77 -1.080 -3.689 4.144 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.172 -4.149 1.402 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.708 -4.963 2.859 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -2.534 -3.172 2.203 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -2.053 -1.692 3.066 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.261 -2.124 1.532 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.833 -6.394 1.572 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -1.549 -5.967 3.144 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -2.094 -5.141 1.665 1.00 0.00 H new ATOM 1176 N MET A 78 0.707 -0.006 4.077 1.00 0.00 N ATOM 1177 CA MET A 78 0.323 1.221 4.756 1.00 0.00 C ATOM 1178 C MET A 78 -0.842 1.864 4.013 1.00 0.00 C ATOM 1179 O MET A 78 -0.947 1.772 2.790 1.00 0.00 O ATOM 1180 CB MET A 78 1.478 2.212 4.854 1.00 0.00 C ATOM 1181 CG MET A 78 2.705 1.634 5.560 1.00 0.00 C ATOM 1182 SD MET A 78 3.915 2.881 6.076 1.00 0.00 S ATOM 1183 CE MET A 78 4.224 2.317 7.765 1.00 0.00 C ATOM 0 H MET A 78 1.437 0.109 3.374 1.00 0.00 H new ATOM 0 HA MET A 78 0.029 0.961 5.773 1.00 0.00 H new ATOM 0 HB2 MET A 78 1.760 2.532 3.851 1.00 0.00 H new ATOM 0 HB3 MET A 78 1.143 3.100 5.390 1.00 0.00 H new ATOM 0 HG2 MET A 78 2.377 1.076 6.437 1.00 0.00 H new ATOM 0 HG3 MET A 78 3.193 0.923 4.894 1.00 0.00 H new ATOM 0 HE1 MET A 78 4.965 2.963 8.235 1.00 0.00 H new ATOM 0 HE2 MET A 78 3.296 2.354 8.336 1.00 0.00 H new ATOM 0 HE3 MET A 78 4.597 1.293 7.744 1.00 0.00 H new ATOM 1193 N VAL A 79 -1.693 2.536 4.780 1.00 0.00 N ATOM 1194 CA VAL A 79 -2.870 3.251 4.315 1.00 0.00 C ATOM 1195 C VAL A 79 -2.646 4.727 4.579 1.00 0.00 C ATOM 1196 O VAL A 79 -2.172 5.087 5.655 1.00 0.00 O ATOM 1197 CB VAL A 79 -4.130 2.796 5.073 1.00 0.00 C ATOM 1198 CG1 VAL A 79 -5.326 3.727 4.784 1.00 0.00 C ATOM 1199 CG2 VAL A 79 -4.478 1.351 4.704 1.00 0.00 C ATOM 0 H VAL A 79 -1.573 2.598 5.791 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.019 3.051 3.254 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.917 2.848 6.141 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -6.200 3.378 5.334 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.081 4.742 5.097 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.543 3.720 3.716 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -5.371 1.042 5.247 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.664 1.284 3.632 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -3.647 0.697 4.970 1.00 0.00 H new ATOM 1209 N PHE A 80 -3.049 5.561 3.625 1.00 0.00 N ATOM 1210 CA PHE A 80 -3.030 7.006 3.712 1.00 0.00 C ATOM 1211 C PHE A 80 -4.432 7.454 3.313 1.00 0.00 C ATOM 1212 O PHE A 80 -5.059 6.817 2.467 1.00 0.00 O ATOM 1213 CB PHE A 80 -1.954 7.597 2.789 1.00 0.00 C ATOM 1214 CG PHE A 80 -0.571 6.976 2.933 1.00 0.00 C ATOM 1215 CD1 PHE A 80 -0.320 5.680 2.442 1.00 0.00 C ATOM 1216 CD2 PHE A 80 0.451 7.660 3.617 1.00 0.00 C ATOM 1217 CE1 PHE A 80 0.894 5.039 2.728 1.00 0.00 C ATOM 1218 CE2 PHE A 80 1.664 7.014 3.913 1.00 0.00 C ATOM 1219 CZ PHE A 80 1.880 5.694 3.485 1.00 0.00 C ATOM 0 H PHE A 80 -3.413 5.226 2.733 1.00 0.00 H new ATOM 0 HA PHE A 80 -2.778 7.353 4.714 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -2.281 7.483 1.755 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -1.878 8.667 2.983 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -1.065 5.178 1.843 1.00 0.00 H new ATOM 0 HD2 PHE A 80 0.303 8.687 3.916 1.00 0.00 H new ATOM 0 HE1 PHE A 80 1.072 4.038 2.365 1.00 0.00 H new ATOM 0 HE2 PHE A 80 2.430 7.533 4.470 1.00 0.00 H new ATOM 0 HZ PHE A 80 2.799 5.185 3.736 1.00 0.00 H new ATOM 1229 N LYS A 81 -4.927 8.518 3.943 1.00 0.00 N ATOM 1230 CA LYS A 81 -6.262 9.052 3.662 1.00 0.00 C ATOM 1231 C LYS A 81 -6.186 10.290 2.765 1.00 0.00 C ATOM 1232 O LYS A 81 -7.128 10.574 2.029 1.00 0.00 O ATOM 1233 CB LYS A 81 -7.035 9.315 4.967 1.00 0.00 C ATOM 1234 CG LYS A 81 -6.581 10.489 5.847 1.00 0.00 C ATOM 1235 CD LYS A 81 -5.180 10.285 6.431 1.00 0.00 C ATOM 1236 CE LYS A 81 -4.914 11.202 7.628 1.00 0.00 C ATOM 1237 NZ LYS A 81 -4.999 12.625 7.252 1.00 0.00 N ATOM 0 H LYS A 81 -4.417 9.034 4.660 1.00 0.00 H new ATOM 0 HA LYS A 81 -6.823 8.300 3.107 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -8.082 9.476 4.709 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -6.991 8.408 5.570 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -6.594 11.406 5.257 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -7.293 10.624 6.661 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -5.064 9.246 6.739 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -4.435 10.474 5.658 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -5.636 10.990 8.417 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -3.925 10.991 8.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -4.747 13.216 8.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -4.341 12.817 6.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -5.969 12.847 6.950 1.00 0.00 H new ATOM 1251 N GLY A 82 -5.068 11.013 2.824 1.00 0.00 N ATOM 1252 CA GLY A 82 -4.841 12.219 2.053 1.00 0.00 C ATOM 1253 C GLY A 82 -3.441 12.700 2.396 1.00 0.00 C ATOM 1254 O GLY A 82 -3.256 13.436 3.366 1.00 0.00 O ATOM 0 H GLY A 82 -4.282 10.765 3.425 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -4.930 12.018 0.985 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -5.582 12.980 2.297 1.00 0.00 H new ATOM 1258 N GLY A 83 -2.440 12.206 1.669 1.00 0.00 N ATOM 1259 CA GLY A 83 -1.045 12.533 1.898 1.00 0.00 C ATOM 1260 C GLY A 83 -0.477 11.811 3.114 1.00 0.00 C ATOM 1261 O GLY A 83 0.437 10.998 3.000 1.00 0.00 O ATOM 0 H GLY A 83 -2.584 11.558 0.894 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -0.462 12.269 1.016 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -0.944 13.609 2.037 1.00 0.00 H new ATOM 1265 N LYS A 84 -1.026 12.109 4.290 1.00 0.00 N ATOM 1266 CA LYS A 84 -0.577 11.547 5.553 1.00 0.00 C ATOM 1267 C LYS A 84 -1.141 10.137 5.749 1.00 0.00 C ATOM 1268 O LYS A 84 -2.181 9.771 5.189 1.00 0.00 O ATOM 1269 CB LYS A 84 -0.982 12.468 6.712 1.00 0.00 C ATOM 1270 CG LYS A 84 -0.693 13.956 6.451 1.00 0.00 C ATOM 1271 CD LYS A 84 0.788 14.216 6.129 1.00 0.00 C ATOM 1272 CE LYS A 84 1.059 15.703 5.873 1.00 0.00 C ATOM 1273 NZ LYS A 84 0.398 16.178 4.643 1.00 0.00 N ATOM 0 H LYS A 84 -1.807 12.758 4.389 1.00 0.00 H new ATOM 0 HA LYS A 84 0.510 11.471 5.537 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -2.047 12.343 6.908 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -0.453 12.157 7.613 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -1.309 14.303 5.622 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -0.980 14.538 7.327 1.00 0.00 H new ATOM 0 HD2 LYS A 84 1.407 13.870 6.957 1.00 0.00 H new ATOM 0 HD3 LYS A 84 1.077 13.637 5.252 1.00 0.00 H new ATOM 0 HE2 LYS A 84 0.708 16.288 6.723 1.00 0.00 H new ATOM 0 HE3 LYS A 84 2.134 15.868 5.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 0.713 17.146 4.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 0.647 15.552 3.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -0.633 16.171 4.778 1.00 0.00 H new ATOM 1287 N LYS A 85 -0.417 9.350 6.547 1.00 0.00 N ATOM 1288 CA LYS A 85 -0.742 7.967 6.855 1.00 0.00 C ATOM 1289 C LYS A 85 -1.968 7.916 7.769 1.00 0.00 C ATOM 1290 O LYS A 85 -2.284 8.894 8.446 1.00 0.00 O ATOM 1291 CB LYS A 85 0.478 7.296 7.512 1.00 0.00 C ATOM 1292 CG LYS A 85 0.421 5.765 7.402 1.00 0.00 C ATOM 1293 CD LYS A 85 1.682 5.050 7.906 1.00 0.00 C ATOM 1294 CE LYS A 85 1.885 5.132 9.426 1.00 0.00 C ATOM 1295 NZ LYS A 85 2.613 6.346 9.834 1.00 0.00 N ATOM 0 H LYS A 85 0.435 9.672 7.007 1.00 0.00 H new ATOM 0 HA LYS A 85 -0.984 7.424 5.941 1.00 0.00 H new ATOM 0 HB2 LYS A 85 1.390 7.660 7.039 1.00 0.00 H new ATOM 0 HB3 LYS A 85 0.527 7.582 8.563 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -0.438 5.403 7.967 1.00 0.00 H new ATOM 0 HG3 LYS A 85 0.255 5.493 6.360 1.00 0.00 H new ATOM 0 HD2 LYS A 85 1.633 4.001 7.613 1.00 0.00 H new ATOM 0 HD3 LYS A 85 2.553 5.480 7.410 1.00 0.00 H new ATOM 0 HE2 LYS A 85 0.914 5.111 9.920 1.00 0.00 H new ATOM 0 HE3 LYS A 85 2.433 4.253 9.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 3.320 6.101 10.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 3.091 6.758 9.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 1.943 7.037 10.227 1.00 0.00 H new ATOM 1309 N CYS A 86 -2.655 6.773 7.778 1.00 0.00 N ATOM 1310 CA CYS A 86 -3.820 6.513 8.610 1.00 0.00 C ATOM 1311 C CYS A 86 -3.623 5.227 9.403 1.00 0.00 C ATOM 1312 O CYS A 86 -3.700 5.244 10.627 1.00 0.00 O ATOM 1313 CB CYS A 86 -5.077 6.374 7.747 1.00 0.00 C ATOM 1314 SG CYS A 86 -6.527 6.589 8.809 1.00 0.00 S ATOM 0 H CYS A 86 -2.404 5.981 7.186 1.00 0.00 H new ATOM 0 HA CYS A 86 -3.941 7.353 9.294 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -5.075 7.120 6.952 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -5.101 5.396 7.266 1.00 0.00 H new ATOM 0 HG CYS A 86 -6.498 5.710 9.766 1.00 0.00 H new ATOM 1320 N GLU A 87 -3.399 4.111 8.698 1.00 0.00 N ATOM 1321 CA GLU A 87 -3.294 2.772 9.272 1.00 0.00 C ATOM 1322 C GLU A 87 -2.206 1.973 8.549 1.00 0.00 C ATOM 1323 O GLU A 87 -1.606 2.465 7.589 1.00 0.00 O ATOM 1324 CB GLU A 87 -4.645 2.049 9.125 1.00 0.00 C ATOM 1325 CG GLU A 87 -5.868 2.885 9.536 1.00 0.00 C ATOM 1326 CD GLU A 87 -5.891 3.274 11.011 1.00 0.00 C ATOM 1327 OE1 GLU A 87 -5.352 2.488 11.821 1.00 0.00 O ATOM 1328 OE2 GLU A 87 -6.484 4.335 11.301 1.00 0.00 O ATOM 0 H GLU A 87 -3.283 4.119 7.685 1.00 0.00 H new ATOM 0 HA GLU A 87 -3.032 2.854 10.327 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -4.765 1.740 8.087 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -4.623 1.141 9.727 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -5.894 3.792 8.932 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -6.773 2.323 9.306 1.00 0.00 H new ATOM 1335 N THR A 88 -1.950 0.735 8.988 1.00 0.00 N ATOM 1336 CA THR A 88 -0.985 -0.170 8.376 1.00 0.00 C ATOM 1337 C THR A 88 -1.351 -1.618 8.719 1.00 0.00 C ATOM 1338 O THR A 88 -1.640 -1.905 9.877 1.00 0.00 O ATOM 1339 CB THR A 88 0.437 0.163 8.864 1.00 0.00 C ATOM 1340 OG1 THR A 88 0.810 1.473 8.481 1.00 0.00 O ATOM 1341 CG2 THR A 88 1.473 -0.807 8.289 1.00 0.00 C ATOM 0 H THR A 88 -2.422 0.331 9.797 1.00 0.00 H new ATOM 0 HA THR A 88 -1.010 -0.048 7.293 1.00 0.00 H new ATOM 0 HB THR A 88 0.418 0.077 9.950 1.00 0.00 H new ATOM 0 HG1 THR A 88 0.067 1.899 8.005 1.00 0.00 H new ATOM 0 HG21 THR A 88 2.464 -0.540 8.656 1.00 0.00 H new ATOM 0 HG22 THR A 88 1.232 -1.823 8.601 1.00 0.00 H new ATOM 0 HG23 THR A 88 1.461 -0.749 7.201 1.00 0.00 H new ATOM 1349 N ILE A 89 -1.361 -2.507 7.724 1.00 0.00 N ATOM 1350 CA ILE A 89 -1.612 -3.938 7.867 1.00 0.00 C ATOM 1351 C ILE A 89 -0.263 -4.616 7.605 1.00 0.00 C ATOM 1352 O ILE A 89 0.501 -4.121 6.778 1.00 0.00 O ATOM 1353 CB ILE A 89 -2.683 -4.408 6.859 1.00 0.00 C ATOM 1354 CG1 ILE A 89 -3.927 -3.497 6.880 1.00 0.00 C ATOM 1355 CG2 ILE A 89 -3.083 -5.860 7.169 1.00 0.00 C ATOM 1356 CD1 ILE A 89 -4.929 -3.848 5.774 1.00 0.00 C ATOM 0 H ILE A 89 -1.187 -2.235 6.756 1.00 0.00 H new ATOM 0 HA ILE A 89 -1.997 -4.188 8.856 1.00 0.00 H new ATOM 0 HB ILE A 89 -2.253 -4.351 5.859 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -4.417 -3.579 7.850 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -3.615 -2.459 6.767 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -3.839 -6.189 6.456 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -2.207 -6.503 7.091 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -3.487 -5.918 8.180 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -5.786 -3.177 5.833 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -4.450 -3.739 4.801 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -5.265 -4.877 5.900 1.00 0.00 H new ATOM 1368 N ILE A 90 0.057 -5.712 8.301 1.00 0.00 N ATOM 1369 CA ILE A 90 1.326 -6.418 8.147 1.00 0.00 C ATOM 1370 C ILE A 90 1.032 -7.905 7.953 1.00 0.00 C ATOM 1371 O ILE A 90 0.114 -8.434 8.578 1.00 0.00 O ATOM 1372 CB ILE A 90 2.224 -6.163 9.379 1.00 0.00 C ATOM 1373 CG1 ILE A 90 2.425 -4.647 9.576 1.00 0.00 C ATOM 1374 CG2 ILE A 90 3.586 -6.855 9.201 1.00 0.00 C ATOM 1375 CD1 ILE A 90 3.357 -4.287 10.737 1.00 0.00 C ATOM 0 H ILE A 90 -0.564 -6.134 8.991 1.00 0.00 H new ATOM 0 HA ILE A 90 1.867 -6.053 7.274 1.00 0.00 H new ATOM 0 HB ILE A 90 1.735 -6.577 10.261 1.00 0.00 H new ATOM 0 HG12 ILE A 90 2.827 -4.222 8.656 1.00 0.00 H new ATOM 0 HG13 ILE A 90 1.454 -4.181 9.745 1.00 0.00 H new ATOM 0 HG21 ILE A 90 4.207 -6.666 10.077 1.00 0.00 H new ATOM 0 HG22 ILE A 90 3.436 -7.929 9.087 1.00 0.00 H new ATOM 0 HG23 ILE A 90 4.081 -6.461 8.313 1.00 0.00 H new ATOM 0 HD11 ILE A 90 3.446 -3.203 10.809 1.00 0.00 H new ATOM 0 HD12 ILE A 90 2.948 -4.680 11.668 1.00 0.00 H new ATOM 0 HD13 ILE A 90 4.341 -4.721 10.562 1.00 0.00 H new ATOM 1387 N GLY A 91 1.811 -8.570 7.095 1.00 0.00 N ATOM 1388 CA GLY A 91 1.684 -9.993 6.823 1.00 0.00 C ATOM 1389 C GLY A 91 0.562 -10.301 5.831 1.00 0.00 C ATOM 1390 O GLY A 91 -0.166 -9.410 5.394 1.00 0.00 O ATOM 0 H GLY A 91 2.558 -8.122 6.564 1.00 0.00 H new ATOM 0 HA2 GLY A 91 2.627 -10.370 6.428 1.00 0.00 H new ATOM 0 HA3 GLY A 91 1.495 -10.523 7.757 1.00 0.00 H new ATOM 1394 N ALA A 92 0.466 -11.571 5.427 1.00 0.00 N ATOM 1395 CA ALA A 92 -0.573 -12.033 4.516 1.00 0.00 C ATOM 1396 C ALA A 92 -1.944 -11.929 5.192 1.00 0.00 C ATOM 1397 O ALA A 92 -2.035 -11.950 6.418 1.00 0.00 O ATOM 1398 CB ALA A 92 -0.276 -13.477 4.102 1.00 0.00 C ATOM 0 H ALA A 92 1.109 -12.304 5.725 1.00 0.00 H new ATOM 0 HA ALA A 92 -0.587 -11.407 3.624 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -1.051 -13.827 3.420 1.00 0.00 H new ATOM 0 HB2 ALA A 92 0.692 -13.521 3.604 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -0.258 -14.113 4.987 1.00 0.00 H new ATOM 1404 N VAL A 93 -3.013 -11.833 4.395 1.00 0.00 N ATOM 1405 CA VAL A 93 -4.379 -11.683 4.878 1.00 0.00 C ATOM 1406 C VAL A 93 -5.340 -12.339 3.876 1.00 0.00 C ATOM 1407 O VAL A 93 -4.994 -12.415 2.697 1.00 0.00 O ATOM 1408 CB VAL A 93 -4.776 -10.193 4.950 1.00 0.00 C ATOM 1409 CG1 VAL A 93 -5.546 -9.803 6.204 1.00 0.00 C ATOM 1410 CG2 VAL A 93 -3.642 -9.184 4.705 1.00 0.00 C ATOM 0 H VAL A 93 -2.946 -11.858 3.378 1.00 0.00 H new ATOM 0 HA VAL A 93 -4.437 -12.141 5.865 1.00 0.00 H new ATOM 0 HB VAL A 93 -5.451 -10.120 4.097 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -5.783 -8.740 6.169 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -6.470 -10.379 6.258 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -4.937 -10.011 7.084 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -4.035 -8.170 4.780 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -2.861 -9.326 5.452 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -3.225 -9.339 3.710 1.00 0.00 H new ATOM 1420 N PRO A 94 -6.553 -12.749 4.289 1.00 0.00 N ATOM 1421 CA PRO A 94 -7.588 -13.197 3.383 1.00 0.00 C ATOM 1422 C PRO A 94 -8.299 -11.947 2.855 1.00 0.00 C ATOM 1423 O PRO A 94 -8.582 -11.008 3.602 1.00 0.00 O ATOM 1424 CB PRO A 94 -8.542 -14.080 4.194 1.00 0.00 C ATOM 1425 CG PRO A 94 -7.865 -14.215 5.563 1.00 0.00 C ATOM 1426 CD PRO A 94 -7.039 -12.935 5.638 1.00 0.00 C ATOM 0 HA PRO A 94 -7.202 -13.769 2.539 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -9.528 -13.624 4.282 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -8.681 -15.053 3.722 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -8.592 -14.279 6.373 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -7.241 -15.107 5.623 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -7.644 -12.089 5.964 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -6.217 -13.032 6.348 1.00 0.00 H new ATOM 1434 N LYS A 95 -8.616 -11.955 1.565 1.00 0.00 N ATOM 1435 CA LYS A 95 -9.205 -10.838 0.850 1.00 0.00 C ATOM 1436 C LYS A 95 -10.402 -10.235 1.583 1.00 0.00 C ATOM 1437 O LYS A 95 -10.507 -9.016 1.677 1.00 0.00 O ATOM 1438 CB LYS A 95 -9.638 -11.345 -0.542 1.00 0.00 C ATOM 1439 CG LYS A 95 -10.214 -10.270 -1.478 1.00 0.00 C ATOM 1440 CD LYS A 95 -10.995 -10.905 -2.635 1.00 0.00 C ATOM 1441 CE LYS A 95 -11.495 -9.845 -3.626 1.00 0.00 C ATOM 1442 NZ LYS A 95 -12.471 -8.920 -3.023 1.00 0.00 N ATOM 0 H LYS A 95 -8.463 -12.770 0.971 1.00 0.00 H new ATOM 0 HA LYS A 95 -8.462 -10.044 0.770 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -8.777 -11.804 -1.028 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -10.385 -12.128 -0.410 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -10.869 -9.606 -0.914 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -9.404 -9.657 -1.875 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -10.358 -11.620 -3.156 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -11.843 -11.463 -2.239 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -10.645 -9.276 -4.003 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -11.951 -10.341 -4.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -13.366 -8.967 -3.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -12.638 -9.189 -2.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -12.098 -7.950 -3.060 1.00 0.00 H new ATOM 1456 N ALA A 96 -11.310 -11.073 2.090 1.00 0.00 N ATOM 1457 CA ALA A 96 -12.487 -10.612 2.817 1.00 0.00 C ATOM 1458 C ALA A 96 -12.084 -9.665 3.951 1.00 0.00 C ATOM 1459 O ALA A 96 -12.676 -8.600 4.128 1.00 0.00 O ATOM 1460 CB ALA A 96 -13.247 -11.822 3.367 1.00 0.00 C ATOM 0 H ALA A 96 -11.247 -12.088 2.006 1.00 0.00 H new ATOM 0 HA ALA A 96 -13.136 -10.060 2.137 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -14.128 -11.482 3.911 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -13.556 -12.464 2.542 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -12.599 -12.383 4.040 1.00 0.00 H new ATOM 1466 N THR A 97 -11.057 -10.049 4.712 1.00 0.00 N ATOM 1467 CA THR A 97 -10.567 -9.244 5.811 1.00 0.00 C ATOM 1468 C THR A 97 -9.993 -7.945 5.256 1.00 0.00 C ATOM 1469 O THR A 97 -10.296 -6.880 5.785 1.00 0.00 O ATOM 1470 CB THR A 97 -9.515 -10.041 6.586 1.00 0.00 C ATOM 1471 OG1 THR A 97 -9.983 -11.364 6.772 1.00 0.00 O ATOM 1472 CG2 THR A 97 -9.222 -9.417 7.953 1.00 0.00 C ATOM 0 H THR A 97 -10.550 -10.924 4.577 1.00 0.00 H new ATOM 0 HA THR A 97 -11.375 -8.993 6.498 1.00 0.00 H new ATOM 0 HB THR A 97 -8.591 -10.034 6.007 1.00 0.00 H new ATOM 0 HG1 THR A 97 -9.394 -11.834 7.398 1.00 0.00 H new ATOM 0 HG21 THR A 97 -8.470 -10.013 8.471 1.00 0.00 H new ATOM 0 HG22 THR A 97 -8.850 -8.401 7.817 1.00 0.00 H new ATOM 0 HG23 THR A 97 -10.137 -9.392 8.545 1.00 0.00 H new ATOM 1480 N ILE A 98 -9.181 -8.020 4.194 1.00 0.00 N ATOM 1481 CA ILE A 98 -8.588 -6.830 3.588 1.00 0.00 C ATOM 1482 C ILE A 98 -9.706 -5.857 3.191 1.00 0.00 C ATOM 1483 O ILE A 98 -9.670 -4.693 3.579 1.00 0.00 O ATOM 1484 CB ILE A 98 -7.695 -7.191 2.382 1.00 0.00 C ATOM 1485 CG1 ILE A 98 -6.595 -8.175 2.785 1.00 0.00 C ATOM 1486 CG2 ILE A 98 -7.058 -5.901 1.832 1.00 0.00 C ATOM 1487 CD1 ILE A 98 -5.649 -8.548 1.637 1.00 0.00 C ATOM 0 H ILE A 98 -8.922 -8.895 3.739 1.00 0.00 H new ATOM 0 HA ILE A 98 -7.939 -6.346 4.318 1.00 0.00 H new ATOM 0 HB ILE A 98 -8.310 -7.667 1.618 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -6.012 -7.741 3.598 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -7.057 -9.083 3.173 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -6.424 -6.143 0.979 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -7.843 -5.213 1.517 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -6.455 -5.432 2.610 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -4.896 -9.249 1.999 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -6.219 -9.012 0.832 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -5.158 -7.649 1.263 1.00 0.00 H new ATOM 1499 N VAL A 99 -10.699 -6.338 2.438 1.00 0.00 N ATOM 1500 CA VAL A 99 -11.862 -5.570 2.013 1.00 0.00 C ATOM 1501 C VAL A 99 -12.463 -4.851 3.217 1.00 0.00 C ATOM 1502 O VAL A 99 -12.557 -3.624 3.229 1.00 0.00 O ATOM 1503 CB VAL A 99 -12.888 -6.517 1.354 1.00 0.00 C ATOM 1504 CG1 VAL A 99 -14.330 -5.985 1.393 1.00 0.00 C ATOM 1505 CG2 VAL A 99 -12.483 -6.797 -0.097 1.00 0.00 C ATOM 0 H VAL A 99 -10.712 -7.300 2.100 1.00 0.00 H new ATOM 0 HA VAL A 99 -11.570 -4.819 1.279 1.00 0.00 H new ATOM 0 HB VAL A 99 -12.877 -7.436 1.940 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -14.995 -6.702 0.912 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -14.637 -5.843 2.429 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -14.381 -5.033 0.865 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -13.211 -7.466 -0.555 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -12.450 -5.860 -0.653 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -11.499 -7.265 -0.116 1.00 0.00 H new ATOM 1515 N GLN A 100 -12.855 -5.615 4.237 1.00 0.00 N ATOM 1516 CA GLN A 100 -13.515 -5.047 5.400 1.00 0.00 C ATOM 1517 C GLN A 100 -12.627 -3.989 6.056 1.00 0.00 C ATOM 1518 O GLN A 100 -13.097 -2.893 6.371 1.00 0.00 O ATOM 1519 CB GLN A 100 -13.888 -6.183 6.359 1.00 0.00 C ATOM 1520 CG GLN A 100 -15.155 -5.870 7.163 1.00 0.00 C ATOM 1521 CD GLN A 100 -14.865 -5.225 8.515 1.00 0.00 C ATOM 1522 OE1 GLN A 100 -14.994 -5.863 9.553 1.00 0.00 O ATOM 1523 NE2 GLN A 100 -14.473 -3.955 8.534 1.00 0.00 N ATOM 0 H GLN A 100 -12.725 -6.626 4.276 1.00 0.00 H new ATOM 0 HA GLN A 100 -14.432 -4.537 5.106 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -14.038 -7.101 5.791 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -13.060 -6.364 7.045 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -15.793 -5.205 6.580 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -15.715 -6.792 7.320 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -14.371 -3.440 7.660 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -14.274 -3.496 9.423 1.00 0.00 H new ATOM 1532 N THR A 101 -11.355 -4.329 6.257 1.00 0.00 N ATOM 1533 CA THR A 101 -10.350 -3.453 6.844 1.00 0.00 C ATOM 1534 C THR A 101 -10.256 -2.146 6.043 1.00 0.00 C ATOM 1535 O THR A 101 -10.195 -1.073 6.634 1.00 0.00 O ATOM 1536 CB THR A 101 -9.004 -4.188 6.934 1.00 0.00 C ATOM 1537 OG1 THR A 101 -9.160 -5.355 7.714 1.00 0.00 O ATOM 1538 CG2 THR A 101 -7.943 -3.329 7.619 1.00 0.00 C ATOM 0 H THR A 101 -10.988 -5.247 6.008 1.00 0.00 H new ATOM 0 HA THR A 101 -10.640 -3.185 7.860 1.00 0.00 H new ATOM 0 HB THR A 101 -8.689 -4.420 5.917 1.00 0.00 H new ATOM 0 HG1 THR A 101 -9.425 -6.101 7.137 1.00 0.00 H new ATOM 0 HG21 THR A 101 -7.004 -3.880 7.666 1.00 0.00 H new ATOM 0 HG22 THR A 101 -7.797 -2.410 7.052 1.00 0.00 H new ATOM 0 HG23 THR A 101 -8.270 -3.083 8.629 1.00 0.00 H new ATOM 1546 N VAL A 102 -10.260 -2.206 4.709 1.00 0.00 N ATOM 1547 CA VAL A 102 -10.242 -0.999 3.893 1.00 0.00 C ATOM 1548 C VAL A 102 -11.528 -0.207 4.142 1.00 0.00 C ATOM 1549 O VAL A 102 -11.476 0.979 4.468 1.00 0.00 O ATOM 1550 CB VAL A 102 -10.046 -1.363 2.407 1.00 0.00 C ATOM 1551 CG1 VAL A 102 -10.342 -0.183 1.471 1.00 0.00 C ATOM 1552 CG2 VAL A 102 -8.599 -1.810 2.157 1.00 0.00 C ATOM 0 H VAL A 102 -10.276 -3.076 4.177 1.00 0.00 H new ATOM 0 HA VAL A 102 -9.401 -0.365 4.172 1.00 0.00 H new ATOM 0 HB VAL A 102 -10.749 -2.168 2.192 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -10.189 -0.492 0.437 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -11.375 0.137 1.605 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -9.672 0.644 1.705 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -8.473 -2.064 1.105 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -7.918 -1.000 2.419 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -8.377 -2.683 2.770 1.00 0.00 H new ATOM 1562 N GLU A 103 -12.680 -0.866 4.019 1.00 0.00 N ATOM 1563 CA GLU A 103 -13.986 -0.239 4.159 1.00 0.00 C ATOM 1564 C GLU A 103 -14.128 0.544 5.461 1.00 0.00 C ATOM 1565 O GLU A 103 -14.573 1.687 5.448 1.00 0.00 O ATOM 1566 CB GLU A 103 -15.079 -1.301 4.041 1.00 0.00 C ATOM 1567 CG GLU A 103 -15.199 -1.779 2.591 1.00 0.00 C ATOM 1568 CD GLU A 103 -16.247 -2.870 2.414 1.00 0.00 C ATOM 1569 OE1 GLU A 103 -16.367 -3.716 3.328 1.00 0.00 O ATOM 1570 OE2 GLU A 103 -16.890 -2.856 1.341 1.00 0.00 O ATOM 0 H GLU A 103 -12.729 -1.864 3.816 1.00 0.00 H new ATOM 0 HA GLU A 103 -14.092 0.487 3.353 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -14.848 -2.145 4.692 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -16.032 -0.891 4.376 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -15.452 -0.932 1.954 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -14.232 -2.153 2.255 1.00 0.00 H new ATOM 1577 N LYS A 104 -13.740 -0.046 6.592 1.00 0.00 N ATOM 1578 CA LYS A 104 -13.861 0.659 7.868 1.00 0.00 C ATOM 1579 C LYS A 104 -13.033 1.957 7.889 1.00 0.00 C ATOM 1580 O LYS A 104 -13.330 2.844 8.686 1.00 0.00 O ATOM 1581 CB LYS A 104 -13.487 -0.253 9.047 1.00 0.00 C ATOM 1582 CG LYS A 104 -12.080 -0.834 8.912 1.00 0.00 C ATOM 1583 CD LYS A 104 -11.462 -1.278 10.238 1.00 0.00 C ATOM 1584 CE LYS A 104 -12.227 -2.440 10.878 1.00 0.00 C ATOM 1585 NZ LYS A 104 -11.592 -2.871 12.135 1.00 0.00 N ATOM 0 H LYS A 104 -13.349 -0.986 6.652 1.00 0.00 H new ATOM 0 HA LYS A 104 -14.908 0.941 7.979 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -13.556 0.313 9.976 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -14.208 -1.067 9.116 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -12.114 -1.687 8.235 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -11.432 -0.088 8.453 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -10.427 -1.576 10.072 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -11.444 -0.434 10.928 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -13.256 -2.137 11.073 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -12.268 -3.278 10.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -12.133 -3.659 12.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -10.618 -3.182 11.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -11.576 -2.077 12.806 1.00 0.00 H new ATOM 1599 N TYR A 105 -11.985 2.068 7.061 1.00 0.00 N ATOM 1600 CA TYR A 105 -11.155 3.264 6.993 1.00 0.00 C ATOM 1601 C TYR A 105 -11.724 4.229 5.945 1.00 0.00 C ATOM 1602 O TYR A 105 -11.789 5.430 6.196 1.00 0.00 O ATOM 1603 CB TYR A 105 -9.700 2.880 6.680 1.00 0.00 C ATOM 1604 CG TYR A 105 -9.046 1.837 7.572 1.00 0.00 C ATOM 1605 CD1 TYR A 105 -9.416 1.680 8.923 1.00 0.00 C ATOM 1606 CD2 TYR A 105 -8.010 1.045 7.041 1.00 0.00 C ATOM 1607 CE1 TYR A 105 -8.790 0.703 9.718 1.00 0.00 C ATOM 1608 CE2 TYR A 105 -7.359 0.096 7.847 1.00 0.00 C ATOM 1609 CZ TYR A 105 -7.772 -0.099 9.174 1.00 0.00 C ATOM 1610 OH TYR A 105 -7.098 -0.981 9.964 1.00 0.00 O ATOM 0 H TYR A 105 -11.694 1.328 6.422 1.00 0.00 H new ATOM 0 HA TYR A 105 -11.162 3.771 7.958 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -9.660 2.518 5.653 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -9.096 3.786 6.722 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -10.182 2.311 9.349 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -7.714 1.168 6.009 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -9.092 0.569 10.746 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -6.541 -0.483 7.445 1.00 0.00 H new ATOM 0 HH TYR A 105 -6.429 -1.455 9.428 1.00 0.00 H new