USER MOD reduce.3.24.130724 H: found=0, std=0, add=880, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 881 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 73 GLN : amide:sc= -3.09 K(o=-3.3,f=-0.45) USER MOD Set 1.2: A 74 GLN : amide:sc= -0.197 K(o=-3.3,f=-1.7) USER MOD Set 2.1: A 58 GLN : amide:sc= 0 X(o=-9.6,f=-9.5) USER MOD Set 2.2: A 59 GLN : amide:sc= -9.61! C(o=-9.6!,f=-18!) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 ASN : amide:sc= 0.538 K(o=0.54,f=-2.8!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 GLN : amide:sc= -0.361 K(o=-0.36,f=-2.3!) USER MOD Single : A 7 TYR OH : rot -48:sc= 1.26 USER MOD Single : A 11 MET CE :methyl -167:sc= -3.14! (180deg=-3.8!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 68:sc= 0.483 USER MOD Single : A 17 ASN : amide:sc= -2.94! C(o=-2.9!,f=-2.7!) USER MOD Single : A 18 CYS SG : rot 58:sc= -2.35! USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 148:sc= 0.996 (180deg=0.119) USER MOD Single : A 22 ASN : amide:sc= -6.64! C(o=-6.6!,f=-20!) USER MOD Single : A 23 MET CE :methyl -176:sc= -14.1! (180deg=-14.8!) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 SER OG : rot 61:sc= 1.13 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -0.286 X(o=-0.29,f=-0.28) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 128:sc= 1.31 USER MOD Single : A 43 MET CE :methyl -130:sc= -9.09! (180deg=-11.7!) USER MOD Single : A 46 GLN : amide:sc= -0.846 K(o=-0.85,f=-0.17) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -0.583 X(o=-0.58,f=-0.14) USER MOD Single : A 55 THR OG1 : rot -154:sc= -0.765! USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.0442 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl -110:sc= -11.6! (180deg=-16.8!) USER MOD Single : A 65 GLN : amide:sc= -1.03 X(o=-1,f=-1!) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 70 SER OG : rot -53:sc= 0.973 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot -30:sc= -0.237 USER MOD Single : A 86 TYR OH : rot 180:sc=-0.00771 USER MOD Single : A 89 HIS : no HD1:sc= -0.0187 X(o=-0.019,f=-0.13) USER MOD Single : A 90 MET CE :methyl 169:sc= -4.57 (180deg=-5.99!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= -0.36 X(o=-0.36,f=-0.093) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot -87:sc= 1.27 USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 3 1.607 12.672 10.269 1.00 0.00 N ATOM 2 CA ASN A 3 0.528 11.702 10.418 1.00 0.00 C ATOM 3 C ASN A 3 1.072 10.278 10.404 1.00 0.00 C ATOM 4 O ASN A 3 0.964 9.570 9.403 1.00 0.00 O ATOM 5 CB ASN A 3 -0.506 11.879 9.303 1.00 0.00 C ATOM 6 CG ASN A 3 -0.988 13.311 9.184 1.00 0.00 C ATOM 7 OD1 ASN A 3 -0.679 14.004 8.214 1.00 0.00 O ATOM 8 ND2 ASN A 3 -1.750 13.763 10.173 1.00 0.00 N ATOM 0 HA ASN A 3 0.046 11.878 11.380 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -0.071 11.565 8.354 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -1.358 11.226 9.494 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -2.104 14.719 10.148 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -1.981 13.154 10.958 1.00 0.00 H new ATOM 15 N ASN A 4 1.658 9.865 11.523 1.00 0.00 N ATOM 16 CA ASN A 4 2.221 8.528 11.645 1.00 0.00 C ATOM 17 C ASN A 4 1.122 7.474 11.729 1.00 0.00 C ATOM 18 O ASN A 4 1.320 6.324 11.347 1.00 0.00 O ATOM 19 CB ASN A 4 3.113 8.447 12.883 1.00 0.00 C ATOM 20 CG ASN A 4 2.447 9.021 14.119 1.00 0.00 C ATOM 21 OD1 ASN A 4 2.248 10.231 14.226 1.00 0.00 O ATOM 22 ND2 ASN A 4 2.100 8.152 15.061 1.00 0.00 N ATOM 0 H ASN A 4 1.755 10.440 12.360 1.00 0.00 H new ATOM 0 HA ASN A 4 2.818 8.329 10.755 1.00 0.00 H new ATOM 0 HB2 ASN A 4 3.378 7.406 13.068 1.00 0.00 H new ATOM 0 HB3 ASN A 4 4.042 8.984 12.693 1.00 0.00 H new ATOM 0 HD21 ASN A 4 1.649 8.479 15.916 1.00 0.00 H new ATOM 0 HD22 ASN A 4 2.284 7.157 14.930 1.00 0.00 H new ATOM 29 N LYS A 5 -0.036 7.871 12.237 1.00 0.00 N ATOM 30 CA LYS A 5 -1.161 6.953 12.373 1.00 0.00 C ATOM 31 C LYS A 5 -1.728 6.561 11.010 1.00 0.00 C ATOM 32 O LYS A 5 -2.384 5.530 10.879 1.00 0.00 O ATOM 33 CB LYS A 5 -2.259 7.586 13.229 1.00 0.00 C ATOM 34 CG LYS A 5 -1.955 7.568 14.718 1.00 0.00 C ATOM 35 CD LYS A 5 -2.232 6.203 15.326 1.00 0.00 C ATOM 36 CE LYS A 5 -1.477 6.011 16.631 1.00 0.00 C ATOM 37 NZ LYS A 5 -2.067 4.924 17.460 1.00 0.00 N ATOM 0 H LYS A 5 -0.222 8.820 12.561 1.00 0.00 H new ATOM 0 HA LYS A 5 -0.796 6.050 12.862 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -2.408 8.617 12.909 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -3.196 7.059 13.051 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -0.911 7.835 14.881 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -2.559 8.322 15.223 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -3.302 6.093 15.504 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -1.944 5.424 14.620 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -0.434 5.778 16.416 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -1.485 6.943 17.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -1.523 4.825 18.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -3.055 5.158 17.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -2.036 4.029 16.932 1.00 0.00 H new ATOM 51 N GLN A 6 -1.478 7.392 10.000 1.00 0.00 N ATOM 52 CA GLN A 6 -1.974 7.135 8.651 1.00 0.00 C ATOM 53 C GLN A 6 -1.513 5.777 8.125 1.00 0.00 C ATOM 54 O GLN A 6 -2.333 4.903 7.833 1.00 0.00 O ATOM 55 CB GLN A 6 -1.518 8.244 7.700 1.00 0.00 C ATOM 56 CG GLN A 6 -2.556 9.337 7.499 1.00 0.00 C ATOM 57 CD GLN A 6 -2.721 9.725 6.042 1.00 0.00 C ATOM 58 OE1 GLN A 6 -1.926 9.332 5.189 1.00 0.00 O ATOM 59 NE2 GLN A 6 -3.757 10.502 5.751 1.00 0.00 N ATOM 0 H GLN A 6 -0.934 8.250 10.091 1.00 0.00 H new ATOM 0 HA GLN A 6 -3.063 7.122 8.699 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -0.603 8.691 8.088 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -1.273 7.804 6.733 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -3.515 8.999 7.892 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -2.268 10.217 8.075 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -4.391 10.804 6.490 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -3.919 10.797 4.788 1.00 0.00 H new ATOM 68 N TYR A 7 -0.199 5.604 7.991 1.00 0.00 N ATOM 69 CA TYR A 7 0.350 4.352 7.487 1.00 0.00 C ATOM 70 C TYR A 7 -0.186 3.169 8.274 1.00 0.00 C ATOM 71 O TYR A 7 -0.717 2.214 7.706 1.00 0.00 O ATOM 72 CB TYR A 7 1.882 4.379 7.521 1.00 0.00 C ATOM 73 CG TYR A 7 2.519 4.128 8.872 1.00 0.00 C ATOM 74 CD1 TYR A 7 2.647 2.838 9.374 1.00 0.00 C ATOM 75 CD2 TYR A 7 3.007 5.180 9.635 1.00 0.00 C ATOM 76 CE1 TYR A 7 3.241 2.605 10.599 1.00 0.00 C ATOM 77 CE2 TYR A 7 3.601 4.954 10.863 1.00 0.00 C ATOM 78 CZ TYR A 7 3.716 3.666 11.340 1.00 0.00 C ATOM 79 OH TYR A 7 4.308 3.439 12.561 1.00 0.00 O ATOM 0 H TYR A 7 0.499 6.311 8.223 1.00 0.00 H new ATOM 0 HA TYR A 7 0.034 4.237 6.450 1.00 0.00 H new ATOM 0 HB2 TYR A 7 2.255 3.631 6.821 1.00 0.00 H new ATOM 0 HB3 TYR A 7 2.217 5.351 7.158 1.00 0.00 H new ATOM 0 HD1 TYR A 7 2.276 2.004 8.797 1.00 0.00 H new ATOM 0 HD2 TYR A 7 2.921 6.191 9.264 1.00 0.00 H new ATOM 0 HE1 TYR A 7 3.333 1.597 10.974 1.00 0.00 H new ATOM 0 HE2 TYR A 7 3.973 5.783 11.446 1.00 0.00 H new ATOM 0 HH TYR A 7 3.742 2.841 13.093 1.00 0.00 H new ATOM 89 N GLU A 8 -0.045 3.251 9.584 1.00 0.00 N ATOM 90 CA GLU A 8 -0.513 2.200 10.483 1.00 0.00 C ATOM 91 C GLU A 8 -1.913 1.726 10.091 1.00 0.00 C ATOM 92 O GLU A 8 -2.266 0.565 10.300 1.00 0.00 O ATOM 93 CB GLU A 8 -0.514 2.700 11.929 1.00 0.00 C ATOM 94 CG GLU A 8 0.585 2.090 12.783 1.00 0.00 C ATOM 95 CD GLU A 8 1.332 3.125 13.603 1.00 0.00 C ATOM 96 OE1 GLU A 8 0.806 4.246 13.765 1.00 0.00 O ATOM 97 OE2 GLU A 8 2.442 2.813 14.083 1.00 0.00 O ATOM 0 H GLU A 8 0.394 4.041 10.057 1.00 0.00 H new ATOM 0 HA GLU A 8 0.170 1.355 10.399 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -0.404 3.784 11.930 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -1.480 2.477 12.381 1.00 0.00 H new ATOM 0 HG2 GLU A 8 0.150 1.348 13.452 1.00 0.00 H new ATOM 0 HG3 GLU A 8 1.290 1.564 12.139 1.00 0.00 H new ATOM 104 N LEU A 9 -2.704 2.629 9.514 1.00 0.00 N ATOM 105 CA LEU A 9 -4.057 2.291 9.088 1.00 0.00 C ATOM 106 C LEU A 9 -4.024 1.349 7.893 1.00 0.00 C ATOM 107 O LEU A 9 -4.437 0.193 7.991 1.00 0.00 O ATOM 108 CB LEU A 9 -4.849 3.552 8.723 1.00 0.00 C ATOM 109 CG LEU A 9 -4.953 4.621 9.817 1.00 0.00 C ATOM 110 CD1 LEU A 9 -6.239 5.417 9.658 1.00 0.00 C ATOM 111 CD2 LEU A 9 -4.884 3.996 11.205 1.00 0.00 C ATOM 0 H LEU A 9 -2.431 3.595 9.332 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.551 1.794 9.923 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.389 4.004 7.844 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -5.858 3.253 8.437 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.105 5.297 9.710 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.299 6.172 10.442 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -6.247 5.904 8.683 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -7.094 4.746 9.735 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.960 4.778 11.960 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.706 3.291 11.328 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.936 3.471 11.321 1.00 0.00 H new ATOM 123 N PHE A 10 -3.531 1.847 6.761 1.00 0.00 N ATOM 124 CA PHE A 10 -3.450 1.036 5.552 1.00 0.00 C ATOM 125 C PHE A 10 -2.642 -0.232 5.810 1.00 0.00 C ATOM 126 O PHE A 10 -3.012 -1.318 5.365 1.00 0.00 O ATOM 127 CB PHE A 10 -2.838 1.842 4.395 1.00 0.00 C ATOM 128 CG PHE A 10 -1.336 1.765 4.303 1.00 0.00 C ATOM 129 CD1 PHE A 10 -0.708 0.612 3.855 1.00 0.00 C ATOM 130 CD2 PHE A 10 -0.556 2.847 4.667 1.00 0.00 C ATOM 131 CE1 PHE A 10 0.670 0.542 3.775 1.00 0.00 C ATOM 132 CE2 PHE A 10 0.823 2.785 4.590 1.00 0.00 C ATOM 133 CZ PHE A 10 1.437 1.630 4.144 1.00 0.00 C ATOM 0 H PHE A 10 -3.185 2.801 6.657 1.00 0.00 H new ATOM 0 HA PHE A 10 -4.462 0.747 5.267 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -3.265 1.488 3.457 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -3.129 2.887 4.503 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -1.303 -0.241 3.565 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -1.030 3.752 5.016 1.00 0.00 H new ATOM 0 HE1 PHE A 10 1.146 -0.362 3.425 1.00 0.00 H new ATOM 0 HE2 PHE A 10 1.420 3.638 4.878 1.00 0.00 H new ATOM 0 HZ PHE A 10 2.514 1.578 4.084 1.00 0.00 H new ATOM 143 N MET A 11 -1.534 -0.081 6.530 1.00 0.00 N ATOM 144 CA MET A 11 -0.665 -1.209 6.850 1.00 0.00 C ATOM 145 C MET A 11 -1.467 -2.379 7.410 1.00 0.00 C ATOM 146 O MET A 11 -1.475 -3.467 6.837 1.00 0.00 O ATOM 147 CB MET A 11 0.406 -0.783 7.855 1.00 0.00 C ATOM 148 CG MET A 11 1.603 -0.099 7.215 1.00 0.00 C ATOM 149 SD MET A 11 2.463 -1.162 6.041 1.00 0.00 S ATOM 150 CE MET A 11 2.569 -2.682 6.980 1.00 0.00 C ATOM 0 H MET A 11 -1.216 0.813 6.904 1.00 0.00 H new ATOM 0 HA MET A 11 -0.183 -1.534 5.928 1.00 0.00 H new ATOM 0 HB2 MET A 11 -0.041 -0.108 8.585 1.00 0.00 H new ATOM 0 HB3 MET A 11 0.749 -1.661 8.402 1.00 0.00 H new ATOM 0 HG2 MET A 11 1.270 0.805 6.705 1.00 0.00 H new ATOM 0 HG3 MET A 11 2.298 0.212 7.994 1.00 0.00 H new ATOM 0 HE1 MET A 11 3.269 -3.362 6.494 1.00 0.00 H new ATOM 0 HE2 MET A 11 2.918 -2.463 7.989 1.00 0.00 H new ATOM 0 HE3 MET A 11 1.585 -3.148 7.030 1.00 0.00 H new ATOM 160 N LYS A 12 -2.147 -2.148 8.528 1.00 0.00 N ATOM 161 CA LYS A 12 -2.954 -3.188 9.155 1.00 0.00 C ATOM 162 C LYS A 12 -3.951 -3.777 8.161 1.00 0.00 C ATOM 163 O LYS A 12 -4.351 -4.935 8.280 1.00 0.00 O ATOM 164 CB LYS A 12 -3.697 -2.624 10.368 1.00 0.00 C ATOM 165 CG LYS A 12 -2.782 -1.977 11.395 1.00 0.00 C ATOM 166 CD LYS A 12 -2.408 -2.951 12.502 1.00 0.00 C ATOM 167 CE LYS A 12 -3.141 -2.635 13.796 1.00 0.00 C ATOM 168 NZ LYS A 12 -2.338 -1.756 14.690 1.00 0.00 N ATOM 0 H LYS A 12 -2.156 -1.253 9.017 1.00 0.00 H new ATOM 0 HA LYS A 12 -2.285 -3.983 9.485 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -4.425 -1.888 10.028 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -4.256 -3.428 10.847 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -1.877 -1.619 10.903 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -3.276 -1.107 11.827 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -2.644 -3.968 12.188 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -1.332 -2.912 12.674 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -4.089 -2.149 13.566 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -3.376 -3.564 14.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -2.873 -1.565 15.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -1.444 -2.229 14.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -2.135 -0.859 14.204 1.00 0.00 H new ATOM 182 N SER A 13 -4.348 -2.971 7.181 1.00 0.00 N ATOM 183 CA SER A 13 -5.299 -3.407 6.166 1.00 0.00 C ATOM 184 C SER A 13 -4.612 -4.238 5.084 1.00 0.00 C ATOM 185 O SER A 13 -5.046 -5.347 4.772 1.00 0.00 O ATOM 186 CB SER A 13 -5.987 -2.195 5.536 1.00 0.00 C ATOM 187 OG SER A 13 -6.033 -1.106 6.442 1.00 0.00 O ATOM 0 H SER A 13 -4.024 -2.010 7.069 1.00 0.00 H new ATOM 0 HA SER A 13 -6.046 -4.034 6.652 1.00 0.00 H new ATOM 0 HB2 SER A 13 -5.453 -1.899 4.633 1.00 0.00 H new ATOM 0 HB3 SER A 13 -6.999 -2.464 5.234 1.00 0.00 H new ATOM 0 HG SER A 13 -5.125 -0.773 6.600 1.00 0.00 H new ATOM 193 N LEU A 14 -3.539 -3.696 4.514 1.00 0.00 N ATOM 194 CA LEU A 14 -2.793 -4.386 3.468 1.00 0.00 C ATOM 195 C LEU A 14 -2.321 -5.761 3.952 1.00 0.00 C ATOM 196 O LEU A 14 -2.519 -6.766 3.268 1.00 0.00 O ATOM 197 CB LEU A 14 -1.601 -3.518 3.026 1.00 0.00 C ATOM 198 CG LEU A 14 -0.313 -4.258 2.634 1.00 0.00 C ATOM 199 CD1 LEU A 14 0.447 -4.701 3.870 1.00 0.00 C ATOM 200 CD2 LEU A 14 -0.609 -5.450 1.736 1.00 0.00 C ATOM 0 H LEU A 14 -3.167 -2.779 4.760 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.448 -4.546 2.612 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.918 -2.914 2.176 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.364 -2.829 3.836 1.00 0.00 H new ATOM 0 HG LEU A 14 0.310 -3.562 2.072 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.356 -5.223 3.571 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.710 -3.828 4.468 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.178 -5.370 4.461 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.324 -5.951 1.477 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.262 -6.147 2.261 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.101 -5.107 0.826 1.00 0.00 H new ATOM 212 N ILE A 15 -1.680 -5.800 5.120 1.00 0.00 N ATOM 213 CA ILE A 15 -1.170 -7.058 5.657 1.00 0.00 C ATOM 214 C ILE A 15 -2.289 -8.073 5.841 1.00 0.00 C ATOM 215 O ILE A 15 -2.164 -9.227 5.433 1.00 0.00 O ATOM 216 CB ILE A 15 -0.432 -6.873 6.996 1.00 0.00 C ATOM 217 CG1 ILE A 15 0.637 -5.785 6.875 1.00 0.00 C ATOM 218 CG2 ILE A 15 0.199 -8.192 7.427 1.00 0.00 C ATOM 219 CD1 ILE A 15 1.403 -5.546 8.158 1.00 0.00 C ATOM 0 H ILE A 15 -1.504 -4.984 5.706 1.00 0.00 H new ATOM 0 HA ILE A 15 -0.456 -7.430 4.922 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.152 -6.561 7.753 1.00 0.00 H new ATOM 0 HG12 ILE A 15 1.339 -6.062 6.088 1.00 0.00 H new ATOM 0 HG13 ILE A 15 0.163 -4.854 6.565 1.00 0.00 H new ATOM 0 HG21 ILE A 15 0.719 -8.054 8.375 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.579 -8.946 7.547 1.00 0.00 H new ATOM 0 HG23 ILE A 15 0.909 -8.521 6.668 1.00 0.00 H new ATOM 0 HD11 ILE A 15 2.144 -4.762 7.999 1.00 0.00 H new ATOM 0 HD12 ILE A 15 0.712 -5.238 8.942 1.00 0.00 H new ATOM 0 HD13 ILE A 15 1.906 -6.465 8.458 1.00 0.00 H new ATOM 231 N GLU A 16 -3.390 -7.641 6.441 1.00 0.00 N ATOM 232 CA GLU A 16 -4.521 -8.518 6.648 1.00 0.00 C ATOM 233 C GLU A 16 -5.006 -9.052 5.309 1.00 0.00 C ATOM 234 O GLU A 16 -5.513 -10.166 5.218 1.00 0.00 O ATOM 235 CB GLU A 16 -5.638 -7.759 7.357 1.00 0.00 C ATOM 236 CG GLU A 16 -6.247 -8.524 8.515 1.00 0.00 C ATOM 237 CD GLU A 16 -7.760 -8.426 8.553 1.00 0.00 C ATOM 238 OE1 GLU A 16 -8.402 -8.767 7.537 1.00 0.00 O ATOM 239 OE2 GLU A 16 -8.302 -8.011 9.598 1.00 0.00 O ATOM 0 H GLU A 16 -3.518 -6.691 6.790 1.00 0.00 H new ATOM 0 HA GLU A 16 -4.220 -9.359 7.272 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -5.246 -6.811 7.724 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.421 -7.523 6.636 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -5.957 -9.572 8.445 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -5.839 -8.143 9.451 1.00 0.00 H new ATOM 246 N ASN A 17 -4.827 -8.240 4.270 1.00 0.00 N ATOM 247 CA ASN A 17 -5.224 -8.605 2.919 1.00 0.00 C ATOM 248 C ASN A 17 -4.505 -9.860 2.456 1.00 0.00 C ATOM 249 O ASN A 17 -5.141 -10.825 2.031 1.00 0.00 O ATOM 250 CB ASN A 17 -4.937 -7.453 1.976 1.00 0.00 C ATOM 251 CG ASN A 17 -5.824 -7.477 0.747 1.00 0.00 C ATOM 252 OD1 ASN A 17 -6.899 -6.877 0.731 1.00 0.00 O ATOM 253 ND2 ASN A 17 -5.377 -8.172 -0.292 1.00 0.00 N ATOM 0 H ASN A 17 -4.404 -7.315 4.344 1.00 0.00 H new ATOM 0 HA ASN A 17 -6.293 -8.816 2.917 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -5.079 -6.510 2.505 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -3.892 -7.491 1.667 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -5.931 -8.224 -1.147 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -4.480 -8.654 -0.235 1.00 0.00 H new ATOM 260 N CYS A 18 -3.179 -9.859 2.555 1.00 0.00 N ATOM 261 CA CYS A 18 -2.407 -11.033 2.154 1.00 0.00 C ATOM 262 C CYS A 18 -2.831 -12.219 3.002 1.00 0.00 C ATOM 263 O CYS A 18 -3.058 -13.310 2.488 1.00 0.00 O ATOM 264 CB CYS A 18 -0.883 -10.815 2.259 1.00 0.00 C ATOM 265 SG CYS A 18 -0.355 -9.375 3.217 1.00 0.00 S ATOM 0 H CYS A 18 -2.625 -9.076 2.902 1.00 0.00 H new ATOM 0 HA CYS A 18 -2.617 -11.224 1.102 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -0.438 -11.705 2.703 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -0.478 -10.725 1.251 1.00 0.00 H new ATOM 0 HG CYS A 18 -0.822 -9.464 4.427 1.00 0.00 H new ATOM 271 N LYS A 19 -2.966 -11.989 4.303 1.00 0.00 N ATOM 272 CA LYS A 19 -3.393 -13.036 5.219 1.00 0.00 C ATOM 273 C LYS A 19 -4.873 -13.340 5.034 1.00 0.00 C ATOM 274 O LYS A 19 -5.374 -14.349 5.533 1.00 0.00 O ATOM 275 CB LYS A 19 -3.117 -12.624 6.666 1.00 0.00 C ATOM 276 CG LYS A 19 -3.183 -13.779 7.653 1.00 0.00 C ATOM 277 CD LYS A 19 -1.987 -13.782 8.594 1.00 0.00 C ATOM 278 CE LYS A 19 -1.861 -12.464 9.342 1.00 0.00 C ATOM 279 NZ LYS A 19 -0.607 -12.398 10.143 1.00 0.00 N ATOM 0 H LYS A 19 -2.786 -11.088 4.745 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.823 -13.938 4.996 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -2.130 -12.166 6.722 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.839 -11.863 6.962 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.103 -13.710 8.233 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.220 -14.722 7.108 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -2.088 -14.599 9.309 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -1.076 -13.967 8.025 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -1.881 -11.639 8.630 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -2.720 -12.337 10.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.559 -11.484 10.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -0.599 -13.170 10.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 0.214 -12.494 9.511 1.00 0.00 H new ATOM 293 N LYS A 20 -5.574 -12.469 4.311 1.00 0.00 N ATOM 294 CA LYS A 20 -6.993 -12.667 4.067 1.00 0.00 C ATOM 295 C LYS A 20 -7.270 -12.893 2.589 1.00 0.00 C ATOM 296 O LYS A 20 -8.361 -12.612 2.093 1.00 0.00 O ATOM 297 CB LYS A 20 -7.814 -11.482 4.603 1.00 0.00 C ATOM 298 CG LYS A 20 -7.783 -10.234 3.716 1.00 0.00 C ATOM 299 CD LYS A 20 -9.187 -9.756 3.377 1.00 0.00 C ATOM 300 CE LYS A 20 -9.600 -10.174 1.975 1.00 0.00 C ATOM 301 NZ LYS A 20 -10.594 -11.284 1.997 1.00 0.00 N ATOM 0 H LYS A 20 -5.183 -11.627 3.889 1.00 0.00 H new ATOM 0 HA LYS A 20 -7.301 -13.563 4.606 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -8.850 -11.800 4.725 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.443 -11.218 5.593 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -7.239 -9.438 4.225 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -7.240 -10.453 2.797 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.894 -10.161 4.101 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -9.232 -8.670 3.461 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -10.024 -9.317 1.451 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.719 -10.487 1.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -11.233 -11.194 1.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -10.097 -12.196 1.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -11.147 -11.238 2.877 1.00 0.00 H new ATOM 315 N ARG A 21 -6.271 -13.414 1.903 1.00 0.00 N ATOM 316 CA ARG A 21 -6.370 -13.704 0.490 1.00 0.00 C ATOM 317 C ARG A 21 -5.829 -15.099 0.223 1.00 0.00 C ATOM 318 O ARG A 21 -6.451 -15.909 -0.465 1.00 0.00 O ATOM 319 CB ARG A 21 -5.566 -12.670 -0.293 1.00 0.00 C ATOM 320 CG ARG A 21 -5.746 -12.754 -1.799 1.00 0.00 C ATOM 321 CD ARG A 21 -4.455 -12.413 -2.527 1.00 0.00 C ATOM 322 NE ARG A 21 -4.651 -11.370 -3.530 1.00 0.00 N ATOM 323 CZ ARG A 21 -5.369 -11.534 -4.639 1.00 0.00 C ATOM 324 NH1 ARG A 21 -5.960 -12.695 -4.889 1.00 0.00 N ATOM 325 NH2 ARG A 21 -5.497 -10.533 -5.500 1.00 0.00 N ATOM 0 H ARG A 21 -5.367 -13.648 2.313 1.00 0.00 H new ATOM 0 HA ARG A 21 -7.412 -13.661 0.174 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -5.853 -11.673 0.041 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -4.509 -12.793 -0.057 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -6.067 -13.759 -2.074 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -6.535 -12.070 -2.112 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -3.707 -12.085 -1.805 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -4.062 -13.309 -3.008 1.00 0.00 H new ATOM 0 HE ARG A 21 -4.212 -10.463 -3.372 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -5.866 -13.468 -4.230 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -6.509 -12.815 -5.740 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -5.045 -9.638 -5.312 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -6.047 -10.658 -6.350 1.00 0.00 H new ATOM 339 N ASN A 22 -4.647 -15.356 0.773 1.00 0.00 N ATOM 340 CA ASN A 22 -3.966 -16.612 0.623 1.00 0.00 C ATOM 341 C ASN A 22 -2.549 -16.555 1.189 1.00 0.00 C ATOM 342 O ASN A 22 -1.702 -17.374 0.833 1.00 0.00 O ATOM 343 CB ASN A 22 -3.884 -16.962 -0.837 1.00 0.00 C ATOM 344 CG ASN A 22 -3.823 -15.756 -1.761 1.00 0.00 C ATOM 345 OD1 ASN A 22 -3.473 -14.654 -1.344 1.00 0.00 O ATOM 346 ND2 ASN A 22 -4.164 -15.965 -3.027 1.00 0.00 N ATOM 0 H ASN A 22 -4.138 -14.680 1.342 1.00 0.00 H new ATOM 0 HA ASN A 22 -4.530 -17.365 1.173 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -3.001 -17.579 -1.003 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -4.750 -17.568 -1.104 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -4.141 -15.195 -3.695 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -4.449 -16.896 -3.331 1.00 0.00 H new ATOM 353 N MET A 23 -2.295 -15.576 2.047 1.00 0.00 N ATOM 354 CA MET A 23 -0.979 -15.381 2.646 1.00 0.00 C ATOM 355 C MET A 23 0.149 -15.740 1.681 1.00 0.00 C ATOM 356 O MET A 23 1.019 -16.552 1.996 1.00 0.00 O ATOM 357 CB MET A 23 -0.851 -16.173 3.947 1.00 0.00 C ATOM 358 CG MET A 23 0.433 -15.887 4.713 1.00 0.00 C ATOM 359 SD MET A 23 0.303 -14.438 5.781 1.00 0.00 S ATOM 360 CE MET A 23 -0.319 -13.219 4.626 1.00 0.00 C ATOM 0 H MET A 23 -2.993 -14.895 2.348 1.00 0.00 H new ATOM 0 HA MET A 23 -0.884 -14.320 2.875 1.00 0.00 H new ATOM 0 HB2 MET A 23 -1.704 -15.945 4.586 1.00 0.00 H new ATOM 0 HB3 MET A 23 -0.899 -17.238 3.720 1.00 0.00 H new ATOM 0 HG2 MET A 23 0.691 -16.756 5.318 1.00 0.00 H new ATOM 0 HG3 MET A 23 1.248 -15.738 4.004 1.00 0.00 H new ATOM 0 HE1 MET A 23 -0.384 -12.250 5.120 1.00 0.00 H new ATOM 0 HE2 MET A 23 0.357 -13.147 3.774 1.00 0.00 H new ATOM 0 HE3 MET A 23 -1.309 -13.517 4.280 1.00 0.00 H new ATOM 370 N PRO A 24 0.146 -15.127 0.484 1.00 0.00 N ATOM 371 CA PRO A 24 1.164 -15.370 -0.533 1.00 0.00 C ATOM 372 C PRO A 24 2.402 -14.497 -0.344 1.00 0.00 C ATOM 373 O PRO A 24 3.061 -14.124 -1.315 1.00 0.00 O ATOM 374 CB PRO A 24 0.437 -14.985 -1.816 1.00 0.00 C ATOM 375 CG PRO A 24 -0.451 -13.860 -1.403 1.00 0.00 C ATOM 376 CD PRO A 24 -0.860 -14.148 0.022 1.00 0.00 C ATOM 0 HA PRO A 24 1.539 -16.393 -0.511 1.00 0.00 H new ATOM 0 HB2 PRO A 24 1.136 -14.677 -2.594 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -0.137 -15.821 -2.216 1.00 0.00 H new ATOM 0 HG2 PRO A 24 0.071 -12.906 -1.473 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -1.324 -13.794 -2.053 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -0.849 -13.245 0.632 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -1.869 -14.556 0.074 1.00 0.00 H new ATOM 384 N LEU A 25 2.711 -14.170 0.907 1.00 0.00 N ATOM 385 CA LEU A 25 3.866 -13.336 1.213 1.00 0.00 C ATOM 386 C LEU A 25 4.773 -14.006 2.240 1.00 0.00 C ATOM 387 O LEU A 25 5.840 -14.518 1.902 1.00 0.00 O ATOM 388 CB LEU A 25 3.411 -11.970 1.734 1.00 0.00 C ATOM 389 CG LEU A 25 3.064 -10.944 0.654 1.00 0.00 C ATOM 390 CD1 LEU A 25 2.028 -11.507 -0.305 1.00 0.00 C ATOM 391 CD2 LEU A 25 2.562 -9.654 1.287 1.00 0.00 C ATOM 0 H LEU A 25 2.178 -14.470 1.723 1.00 0.00 H new ATOM 0 HA LEU A 25 4.433 -13.199 0.292 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.537 -12.114 2.370 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.199 -11.558 2.364 1.00 0.00 H new ATOM 0 HG LEU A 25 3.968 -10.721 0.088 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.794 -10.763 -1.066 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.424 -12.403 -0.783 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.122 -11.760 0.246 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.320 -8.935 0.504 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.670 -9.862 1.878 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.336 -9.240 1.933 1.00 0.00 H new ATOM 403 N GLN A 26 4.348 -13.979 3.499 1.00 0.00 N ATOM 404 CA GLN A 26 5.125 -14.565 4.589 1.00 0.00 C ATOM 405 C GLN A 26 6.380 -13.736 4.855 1.00 0.00 C ATOM 406 O GLN A 26 7.273 -14.155 5.592 1.00 0.00 O ATOM 407 CB GLN A 26 5.507 -16.012 4.264 1.00 0.00 C ATOM 408 CG GLN A 26 4.803 -17.036 5.138 1.00 0.00 C ATOM 409 CD GLN A 26 5.431 -18.413 5.046 1.00 0.00 C ATOM 410 OE1 GLN A 26 6.558 -18.625 5.494 1.00 0.00 O ATOM 411 NE2 GLN A 26 4.703 -19.358 4.462 1.00 0.00 N ATOM 0 H GLN A 26 3.467 -13.556 3.792 1.00 0.00 H new ATOM 0 HA GLN A 26 4.507 -14.564 5.487 1.00 0.00 H new ATOM 0 HB2 GLN A 26 5.272 -16.215 3.219 1.00 0.00 H new ATOM 0 HB3 GLN A 26 6.585 -16.129 4.377 1.00 0.00 H new ATOM 0 HG2 GLN A 26 4.825 -16.700 6.175 1.00 0.00 H new ATOM 0 HG3 GLN A 26 3.755 -17.099 4.845 1.00 0.00 H new ATOM 0 HE21 GLN A 26 3.773 -19.138 4.105 1.00 0.00 H new ATOM 0 HE22 GLN A 26 5.074 -20.304 4.371 1.00 0.00 H new ATOM 420 N SER A 27 6.436 -12.556 4.241 1.00 0.00 N ATOM 421 CA SER A 27 7.567 -11.649 4.386 1.00 0.00 C ATOM 422 C SER A 27 7.477 -10.542 3.343 1.00 0.00 C ATOM 423 O SER A 27 7.560 -10.802 2.143 1.00 0.00 O ATOM 424 CB SER A 27 8.884 -12.405 4.226 1.00 0.00 C ATOM 425 OG SER A 27 9.397 -12.811 5.483 1.00 0.00 O ATOM 0 H SER A 27 5.699 -12.204 3.630 1.00 0.00 H new ATOM 0 HA SER A 27 7.537 -11.210 5.383 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.730 -13.279 3.593 1.00 0.00 H new ATOM 0 HB3 SER A 27 9.612 -11.770 3.721 1.00 0.00 H new ATOM 0 HG SER A 27 8.754 -13.405 5.922 1.00 0.00 H new ATOM 431 N ILE A 28 7.300 -9.310 3.801 1.00 0.00 N ATOM 432 CA ILE A 28 7.192 -8.175 2.890 1.00 0.00 C ATOM 433 C ILE A 28 8.543 -7.860 2.259 1.00 0.00 C ATOM 434 O ILE A 28 9.576 -7.945 2.922 1.00 0.00 O ATOM 435 CB ILE A 28 6.666 -6.897 3.588 1.00 0.00 C ATOM 436 CG1 ILE A 28 5.846 -7.232 4.839 1.00 0.00 C ATOM 437 CG2 ILE A 28 5.832 -6.076 2.617 1.00 0.00 C ATOM 438 CD1 ILE A 28 4.806 -8.312 4.620 1.00 0.00 C ATOM 0 H ILE A 28 7.228 -9.070 4.790 1.00 0.00 H new ATOM 0 HA ILE A 28 6.474 -8.469 2.125 1.00 0.00 H new ATOM 0 HB ILE A 28 7.529 -6.312 3.905 1.00 0.00 H new ATOM 0 HG12 ILE A 28 6.524 -7.549 5.632 1.00 0.00 H new ATOM 0 HG13 ILE A 28 5.348 -6.327 5.188 1.00 0.00 H new ATOM 0 HG21 ILE A 28 5.467 -5.180 3.118 1.00 0.00 H new ATOM 0 HG22 ILE A 28 6.445 -5.790 1.763 1.00 0.00 H new ATOM 0 HG23 ILE A 28 4.985 -6.669 2.273 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.267 -8.493 5.550 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.104 -7.990 3.851 1.00 0.00 H new ATOM 0 HD13 ILE A 28 5.298 -9.231 4.301 1.00 0.00 H new ATOM 450 N PRO A 29 8.561 -7.486 0.967 1.00 0.00 N ATOM 451 CA PRO A 29 9.801 -7.152 0.259 1.00 0.00 C ATOM 452 C PRO A 29 10.417 -5.853 0.771 1.00 0.00 C ATOM 453 O PRO A 29 10.656 -4.928 -0.002 1.00 0.00 O ATOM 454 CB PRO A 29 9.360 -6.989 -1.206 1.00 0.00 C ATOM 455 CG PRO A 29 7.977 -7.543 -1.274 1.00 0.00 C ATOM 456 CD PRO A 29 7.388 -7.354 0.092 1.00 0.00 C ATOM 0 HA PRO A 29 10.565 -7.917 0.399 1.00 0.00 H new ATOM 0 HB2 PRO A 29 9.377 -5.941 -1.506 1.00 0.00 H new ATOM 0 HB3 PRO A 29 10.030 -7.524 -1.879 1.00 0.00 H new ATOM 0 HG2 PRO A 29 7.386 -7.025 -2.029 1.00 0.00 H new ATOM 0 HG3 PRO A 29 7.992 -8.597 -1.550 1.00 0.00 H new ATOM 0 HD2 PRO A 29 6.912 -6.379 0.197 1.00 0.00 H new ATOM 0 HD3 PRO A 29 6.630 -8.105 0.314 1.00 0.00 H new ATOM 464 N GLU A 30 10.666 -5.790 2.079 1.00 0.00 N ATOM 465 CA GLU A 30 11.246 -4.606 2.709 1.00 0.00 C ATOM 466 C GLU A 30 12.318 -3.970 1.826 1.00 0.00 C ATOM 467 O GLU A 30 13.320 -4.604 1.494 1.00 0.00 O ATOM 468 CB GLU A 30 11.846 -4.973 4.068 1.00 0.00 C ATOM 469 CG GLU A 30 10.851 -4.889 5.214 1.00 0.00 C ATOM 470 CD GLU A 30 11.441 -5.351 6.532 1.00 0.00 C ATOM 471 OE1 GLU A 30 11.788 -6.546 6.640 1.00 0.00 O ATOM 472 OE2 GLU A 30 11.557 -4.519 7.456 1.00 0.00 O ATOM 0 H GLU A 30 10.473 -6.553 2.727 1.00 0.00 H new ATOM 0 HA GLU A 30 10.446 -3.879 2.848 1.00 0.00 H new ATOM 0 HB2 GLU A 30 12.246 -5.986 4.018 1.00 0.00 H new ATOM 0 HB3 GLU A 30 12.685 -4.309 4.277 1.00 0.00 H new ATOM 0 HG2 GLU A 30 10.505 -3.860 5.316 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.978 -5.497 4.978 1.00 0.00 H new ATOM 479 N ILE A 31 12.099 -2.716 1.449 1.00 0.00 N ATOM 480 CA ILE A 31 13.042 -1.994 0.605 1.00 0.00 C ATOM 481 C ILE A 31 13.401 -0.648 1.223 1.00 0.00 C ATOM 482 O ILE A 31 12.716 -0.165 2.124 1.00 0.00 O ATOM 483 CB ILE A 31 12.481 -1.761 -0.814 1.00 0.00 C ATOM 484 CG1 ILE A 31 11.017 -1.300 -0.748 1.00 0.00 C ATOM 485 CG2 ILE A 31 12.627 -3.020 -1.663 1.00 0.00 C ATOM 486 CD1 ILE A 31 10.008 -2.422 -0.584 1.00 0.00 C ATOM 0 H ILE A 31 11.275 -2.177 1.715 1.00 0.00 H new ATOM 0 HA ILE A 31 13.935 -2.615 0.530 1.00 0.00 H new ATOM 0 HB ILE A 31 13.059 -0.969 -1.289 1.00 0.00 H new ATOM 0 HG12 ILE A 31 10.906 -0.605 0.084 1.00 0.00 H new ATOM 0 HG13 ILE A 31 10.782 -0.748 -1.658 1.00 0.00 H new ATOM 0 HG21 ILE A 31 12.226 -2.835 -2.660 1.00 0.00 H new ATOM 0 HG22 ILE A 31 13.681 -3.287 -1.740 1.00 0.00 H new ATOM 0 HG23 ILE A 31 12.079 -3.839 -1.197 1.00 0.00 H new ATOM 0 HD11 ILE A 31 9.002 -2.004 -0.547 1.00 0.00 H new ATOM 0 HD12 ILE A 31 10.085 -3.107 -1.428 1.00 0.00 H new ATOM 0 HD13 ILE A 31 10.211 -2.962 0.341 1.00 0.00 H new ATOM 498 N GLY A 32 14.481 -0.047 0.736 1.00 0.00 N ATOM 499 CA GLY A 32 14.911 1.237 1.257 1.00 0.00 C ATOM 500 C GLY A 32 15.470 1.137 2.665 1.00 0.00 C ATOM 501 O GLY A 32 15.659 2.152 3.336 1.00 0.00 O ATOM 0 H GLY A 32 15.066 -0.425 -0.009 1.00 0.00 H new ATOM 0 HA2 GLY A 32 15.670 1.657 0.597 1.00 0.00 H new ATOM 0 HA3 GLY A 32 14.068 1.928 1.253 1.00 0.00 H new ATOM 505 N ASN A 33 15.737 -0.087 3.113 1.00 0.00 N ATOM 506 CA ASN A 33 16.280 -0.311 4.448 1.00 0.00 C ATOM 507 C ASN A 33 15.318 0.189 5.524 1.00 0.00 C ATOM 508 O ASN A 33 15.719 0.888 6.455 1.00 0.00 O ATOM 509 CB ASN A 33 17.638 0.381 4.589 1.00 0.00 C ATOM 510 CG ASN A 33 18.696 -0.537 5.168 1.00 0.00 C ATOM 511 OD1 ASN A 33 18.773 -0.729 6.381 1.00 0.00 O ATOM 512 ND2 ASN A 33 19.520 -1.112 4.299 1.00 0.00 N ATOM 0 H ASN A 33 15.586 -0.938 2.571 1.00 0.00 H new ATOM 0 HA ASN A 33 16.412 -1.384 4.585 1.00 0.00 H new ATOM 0 HB2 ASN A 33 17.965 0.737 3.612 1.00 0.00 H new ATOM 0 HB3 ASN A 33 17.532 1.257 5.228 1.00 0.00 H new ATOM 0 HD21 ASN A 33 20.252 -1.741 4.630 1.00 0.00 H new ATOM 0 HD22 ASN A 33 19.421 -0.925 3.301 1.00 0.00 H new ATOM 519 N ARG A 34 14.046 -0.175 5.391 1.00 0.00 N ATOM 520 CA ARG A 34 13.029 0.235 6.353 1.00 0.00 C ATOM 521 C ARG A 34 11.674 -0.377 6.011 1.00 0.00 C ATOM 522 O ARG A 34 11.549 -1.135 5.050 1.00 0.00 O ATOM 523 CB ARG A 34 12.918 1.761 6.391 1.00 0.00 C ATOM 524 CG ARG A 34 12.435 2.368 5.082 1.00 0.00 C ATOM 525 CD ARG A 34 11.174 3.198 5.275 1.00 0.00 C ATOM 526 NE ARG A 34 11.312 4.541 4.718 1.00 0.00 N ATOM 527 CZ ARG A 34 10.390 5.494 4.842 1.00 0.00 C ATOM 528 NH1 ARG A 34 9.264 5.255 5.503 1.00 0.00 N ATOM 529 NH2 ARG A 34 10.596 6.688 4.305 1.00 0.00 N ATOM 0 H ARG A 34 13.695 -0.753 4.627 1.00 0.00 H new ATOM 0 HA ARG A 34 13.331 -0.126 7.336 1.00 0.00 H new ATOM 0 HB2 ARG A 34 12.234 2.048 7.189 1.00 0.00 H new ATOM 0 HB3 ARG A 34 13.892 2.182 6.640 1.00 0.00 H new ATOM 0 HG2 ARG A 34 13.221 2.994 4.660 1.00 0.00 H new ATOM 0 HG3 ARG A 34 12.240 1.573 4.363 1.00 0.00 H new ATOM 0 HD2 ARG A 34 10.332 2.694 4.801 1.00 0.00 H new ATOM 0 HD3 ARG A 34 10.946 3.268 6.338 1.00 0.00 H new ATOM 0 HE ARG A 34 12.165 4.762 4.204 1.00 0.00 H new ATOM 0 HH11 ARG A 34 9.102 4.338 5.919 1.00 0.00 H new ATOM 0 HH12 ARG A 34 8.561 5.988 5.595 1.00 0.00 H new ATOM 0 HH21 ARG A 34 11.460 6.877 3.797 1.00 0.00 H new ATOM 0 HH22 ARG A 34 9.890 7.418 4.400 1.00 0.00 H new ATOM 543 N LYS A 35 10.661 -0.041 6.805 1.00 0.00 N ATOM 544 CA LYS A 35 9.313 -0.558 6.588 1.00 0.00 C ATOM 545 C LYS A 35 8.812 -0.203 5.191 1.00 0.00 C ATOM 546 O LYS A 35 9.008 0.915 4.716 1.00 0.00 O ATOM 547 CB LYS A 35 8.355 -0.002 7.643 1.00 0.00 C ATOM 548 CG LYS A 35 7.132 -0.875 7.875 1.00 0.00 C ATOM 549 CD LYS A 35 7.458 -2.064 8.764 1.00 0.00 C ATOM 550 CE LYS A 35 6.441 -3.181 8.598 1.00 0.00 C ATOM 551 NZ LYS A 35 6.813 -4.392 9.380 1.00 0.00 N ATOM 0 H LYS A 35 10.748 0.587 7.604 1.00 0.00 H new ATOM 0 HA LYS A 35 9.349 -1.644 6.676 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.892 0.114 8.584 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.029 0.992 7.338 1.00 0.00 H new ATOM 0 HG2 LYS A 35 6.342 -0.281 8.335 1.00 0.00 H new ATOM 0 HG3 LYS A 35 6.749 -1.229 6.918 1.00 0.00 H new ATOM 0 HD2 LYS A 35 8.453 -2.438 8.522 1.00 0.00 H new ATOM 0 HD3 LYS A 35 7.482 -1.745 9.806 1.00 0.00 H new ATOM 0 HE2 LYS A 35 5.460 -2.829 8.918 1.00 0.00 H new ATOM 0 HE3 LYS A 35 6.357 -3.442 7.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 6.094 -5.130 9.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 7.737 -4.743 9.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 6.868 -4.150 10.390 1.00 0.00 H new ATOM 565 N ILE A 36 8.171 -1.165 4.535 1.00 0.00 N ATOM 566 CA ILE A 36 7.648 -0.961 3.196 1.00 0.00 C ATOM 567 C ILE A 36 6.685 0.221 3.141 1.00 0.00 C ATOM 568 O ILE A 36 6.131 0.636 4.159 1.00 0.00 O ATOM 569 CB ILE A 36 6.928 -2.222 2.681 1.00 0.00 C ATOM 570 CG1 ILE A 36 5.872 -2.700 3.685 1.00 0.00 C ATOM 571 CG2 ILE A 36 7.934 -3.326 2.397 1.00 0.00 C ATOM 572 CD1 ILE A 36 4.553 -1.973 3.569 1.00 0.00 C ATOM 0 H ILE A 36 8.003 -2.097 4.914 1.00 0.00 H new ATOM 0 HA ILE A 36 8.504 -0.747 2.556 1.00 0.00 H new ATOM 0 HB ILE A 36 6.418 -1.968 1.752 1.00 0.00 H new ATOM 0 HG12 ILE A 36 5.703 -3.767 3.541 1.00 0.00 H new ATOM 0 HG13 ILE A 36 6.260 -2.572 4.696 1.00 0.00 H new ATOM 0 HG21 ILE A 36 7.411 -4.211 2.034 1.00 0.00 H new ATOM 0 HG22 ILE A 36 8.642 -2.987 1.641 1.00 0.00 H new ATOM 0 HG23 ILE A 36 8.472 -3.573 3.313 1.00 0.00 H new ATOM 0 HD11 ILE A 36 3.856 -2.364 4.310 1.00 0.00 H new ATOM 0 HD12 ILE A 36 4.708 -0.908 3.743 1.00 0.00 H new ATOM 0 HD13 ILE A 36 4.142 -2.122 2.570 1.00 0.00 H new ATOM 584 N ASN A 37 6.487 0.751 1.939 1.00 0.00 N ATOM 585 CA ASN A 37 5.586 1.877 1.729 1.00 0.00 C ATOM 586 C ASN A 37 4.504 1.496 0.727 1.00 0.00 C ATOM 587 O ASN A 37 4.085 2.308 -0.097 1.00 0.00 O ATOM 588 CB ASN A 37 6.364 3.094 1.227 1.00 0.00 C ATOM 589 CG ASN A 37 6.956 3.910 2.360 1.00 0.00 C ATOM 590 OD1 ASN A 37 8.163 3.875 2.601 1.00 0.00 O ATOM 591 ND2 ASN A 37 6.107 4.650 3.063 1.00 0.00 N ATOM 0 H ASN A 37 6.942 0.416 1.090 1.00 0.00 H new ATOM 0 HA ASN A 37 5.116 2.133 2.679 1.00 0.00 H new ATOM 0 HB2 ASN A 37 7.164 2.762 0.565 1.00 0.00 H new ATOM 0 HB3 ASN A 37 5.702 3.726 0.635 1.00 0.00 H new ATOM 0 HD21 ASN A 37 6.447 5.220 3.838 1.00 0.00 H new ATOM 0 HD22 ASN A 37 5.114 4.649 2.828 1.00 0.00 H new ATOM 598 N LEU A 38 4.075 0.239 0.808 1.00 0.00 N ATOM 599 CA LEU A 38 3.052 -0.321 -0.077 1.00 0.00 C ATOM 600 C LEU A 38 2.007 0.706 -0.511 1.00 0.00 C ATOM 601 O LEU A 38 1.526 0.663 -1.642 1.00 0.00 O ATOM 602 CB LEU A 38 2.353 -1.489 0.622 1.00 0.00 C ATOM 603 CG LEU A 38 2.746 -2.879 0.125 1.00 0.00 C ATOM 604 CD1 LEU A 38 2.239 -3.100 -1.292 1.00 0.00 C ATOM 605 CD2 LEU A 38 4.256 -3.069 0.192 1.00 0.00 C ATOM 0 H LEU A 38 4.429 -0.427 1.495 1.00 0.00 H new ATOM 0 HA LEU A 38 3.564 -0.659 -0.978 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.564 -1.430 1.690 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.276 -1.370 0.503 1.00 0.00 H new ATOM 0 HG LEU A 38 2.282 -3.620 0.776 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.528 -4.095 -1.631 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.153 -3.012 -1.308 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.673 -2.351 -1.955 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.514 -4.066 -0.167 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.745 -2.321 -0.432 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.591 -2.956 1.223 1.00 0.00 H new ATOM 617 N PHE A 39 1.637 1.607 0.393 1.00 0.00 N ATOM 618 CA PHE A 39 0.622 2.608 0.082 1.00 0.00 C ATOM 619 C PHE A 39 1.222 3.871 -0.538 1.00 0.00 C ATOM 620 O PHE A 39 0.672 4.414 -1.497 1.00 0.00 O ATOM 621 CB PHE A 39 -0.177 2.964 1.335 1.00 0.00 C ATOM 622 CG PHE A 39 -1.601 2.485 1.293 1.00 0.00 C ATOM 623 CD1 PHE A 39 -1.900 1.177 0.939 1.00 0.00 C ATOM 624 CD2 PHE A 39 -2.641 3.344 1.609 1.00 0.00 C ATOM 625 CE1 PHE A 39 -3.211 0.736 0.902 1.00 0.00 C ATOM 626 CE2 PHE A 39 -3.952 2.909 1.574 1.00 0.00 C ATOM 627 CZ PHE A 39 -4.237 1.605 1.221 1.00 0.00 C ATOM 0 H PHE A 39 2.019 1.665 1.337 1.00 0.00 H new ATOM 0 HA PHE A 39 -0.045 2.168 -0.659 1.00 0.00 H new ATOM 0 HB2 PHE A 39 0.317 2.534 2.206 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -0.169 4.046 1.466 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -1.100 0.495 0.690 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -2.425 4.365 1.886 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -3.432 -0.284 0.625 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -4.754 3.589 1.823 1.00 0.00 H new ATOM 0 HZ PHE A 39 -5.261 1.264 1.194 1.00 0.00 H new ATOM 637 N TYR A 40 2.342 4.343 0.006 1.00 0.00 N ATOM 638 CA TYR A 40 2.987 5.549 -0.516 1.00 0.00 C ATOM 639 C TYR A 40 3.128 5.470 -2.037 1.00 0.00 C ATOM 640 O TYR A 40 2.318 6.019 -2.783 1.00 0.00 O ATOM 641 CB TYR A 40 4.358 5.752 0.140 1.00 0.00 C ATOM 642 CG TYR A 40 4.791 7.200 0.202 1.00 0.00 C ATOM 643 CD1 TYR A 40 5.483 7.784 -0.852 1.00 0.00 C ATOM 644 CD2 TYR A 40 4.509 7.982 1.315 1.00 0.00 C ATOM 645 CE1 TYR A 40 5.881 9.106 -0.798 1.00 0.00 C ATOM 646 CE2 TYR A 40 4.905 9.305 1.376 1.00 0.00 C ATOM 647 CZ TYR A 40 5.590 9.862 0.317 1.00 0.00 C ATOM 648 OH TYR A 40 5.986 11.179 0.374 1.00 0.00 O ATOM 0 H TYR A 40 2.819 3.915 0.800 1.00 0.00 H new ATOM 0 HA TYR A 40 2.358 6.406 -0.274 1.00 0.00 H new ATOM 0 HB2 TYR A 40 4.331 5.346 1.151 1.00 0.00 H new ATOM 0 HB3 TYR A 40 5.104 5.182 -0.413 1.00 0.00 H new ATOM 0 HD1 TYR A 40 5.713 7.195 -1.727 1.00 0.00 H new ATOM 0 HD2 TYR A 40 3.972 7.549 2.146 1.00 0.00 H new ATOM 0 HE1 TYR A 40 6.418 9.545 -1.626 1.00 0.00 H new ATOM 0 HE2 TYR A 40 4.679 9.899 2.249 1.00 0.00 H new ATOM 0 HH TYR A 40 5.702 11.569 1.227 1.00 0.00 H new ATOM 658 N LEU A 41 4.142 4.763 -2.502 1.00 0.00 N ATOM 659 CA LEU A 41 4.352 4.603 -3.933 1.00 0.00 C ATOM 660 C LEU A 41 3.056 4.219 -4.624 1.00 0.00 C ATOM 661 O LEU A 41 2.809 4.596 -5.764 1.00 0.00 O ATOM 662 CB LEU A 41 5.367 3.503 -4.192 1.00 0.00 C ATOM 663 CG LEU A 41 4.765 2.094 -4.261 1.00 0.00 C ATOM 664 CD1 LEU A 41 5.808 1.116 -4.747 1.00 0.00 C ATOM 665 CD2 LEU A 41 4.240 1.673 -2.895 1.00 0.00 C ATOM 0 H LEU A 41 4.831 4.292 -1.915 1.00 0.00 H new ATOM 0 HA LEU A 41 4.714 5.554 -4.325 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.881 3.712 -5.130 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.120 3.526 -3.404 1.00 0.00 H new ATOM 0 HG LEU A 41 3.930 2.100 -4.962 1.00 0.00 H new ATOM 0 HD11 LEU A 41 5.376 0.117 -4.794 1.00 0.00 H new ATOM 0 HD12 LEU A 41 6.149 1.411 -5.739 1.00 0.00 H new ATOM 0 HD13 LEU A 41 6.653 1.113 -4.059 1.00 0.00 H new ATOM 0 HD21 LEU A 41 3.816 0.671 -2.961 1.00 0.00 H new ATOM 0 HD22 LEU A 41 5.058 1.674 -2.175 1.00 0.00 H new ATOM 0 HD23 LEU A 41 3.469 2.372 -2.570 1.00 0.00 H new ATOM 677 N TYR A 42 2.244 3.432 -3.929 1.00 0.00 N ATOM 678 CA TYR A 42 0.994 2.969 -4.488 1.00 0.00 C ATOM 679 C TYR A 42 0.227 4.128 -5.124 1.00 0.00 C ATOM 680 O TYR A 42 -0.050 4.115 -6.320 1.00 0.00 O ATOM 681 CB TYR A 42 0.147 2.271 -3.427 1.00 0.00 C ATOM 682 CG TYR A 42 -1.277 2.786 -3.400 1.00 0.00 C ATOM 683 CD1 TYR A 42 -1.991 2.864 -4.586 1.00 0.00 C ATOM 684 CD2 TYR A 42 -1.888 3.231 -2.236 1.00 0.00 C ATOM 685 CE1 TYR A 42 -3.265 3.362 -4.625 1.00 0.00 C ATOM 686 CE2 TYR A 42 -3.176 3.738 -2.263 1.00 0.00 C ATOM 687 CZ TYR A 42 -3.859 3.803 -3.462 1.00 0.00 C ATOM 688 OH TYR A 42 -5.138 4.308 -3.497 1.00 0.00 O ATOM 0 H TYR A 42 2.433 3.106 -2.981 1.00 0.00 H new ATOM 0 HA TYR A 42 1.219 2.241 -5.268 1.00 0.00 H new ATOM 0 HB2 TYR A 42 0.140 1.198 -3.619 1.00 0.00 H new ATOM 0 HB3 TYR A 42 0.603 2.417 -2.448 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -1.530 2.523 -5.502 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -1.353 3.181 -1.299 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -3.802 3.409 -5.561 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -3.644 4.081 -1.352 1.00 0.00 H new ATOM 0 HH TYR A 42 -5.690 3.847 -2.831 1.00 0.00 H new ATOM 698 N MET A 43 -0.113 5.141 -4.336 1.00 0.00 N ATOM 699 CA MET A 43 -0.833 6.280 -4.897 1.00 0.00 C ATOM 700 C MET A 43 -0.006 6.849 -6.039 1.00 0.00 C ATOM 701 O MET A 43 -0.535 7.402 -7.000 1.00 0.00 O ATOM 702 CB MET A 43 -1.159 7.342 -3.834 1.00 0.00 C ATOM 703 CG MET A 43 -0.307 8.606 -3.895 1.00 0.00 C ATOM 704 SD MET A 43 0.119 9.216 -2.259 1.00 0.00 S ATOM 705 CE MET A 43 0.897 7.753 -1.594 1.00 0.00 C ATOM 0 H MET A 43 0.089 5.200 -3.338 1.00 0.00 H new ATOM 0 HA MET A 43 -1.799 5.947 -5.277 1.00 0.00 H new ATOM 0 HB2 MET A 43 -2.207 7.624 -3.935 1.00 0.00 H new ATOM 0 HB3 MET A 43 -1.044 6.893 -2.848 1.00 0.00 H new ATOM 0 HG2 MET A 43 0.606 8.400 -4.453 1.00 0.00 H new ATOM 0 HG3 MET A 43 -0.847 9.380 -4.441 1.00 0.00 H new ATOM 0 HE1 MET A 43 0.470 7.526 -0.617 1.00 0.00 H new ATOM 0 HE2 MET A 43 0.728 6.913 -2.268 1.00 0.00 H new ATOM 0 HE3 MET A 43 1.968 7.926 -1.491 1.00 0.00 H new ATOM 715 N LEU A 44 1.306 6.658 -5.936 1.00 0.00 N ATOM 716 CA LEU A 44 2.220 7.094 -6.973 1.00 0.00 C ATOM 717 C LEU A 44 2.056 6.205 -8.200 1.00 0.00 C ATOM 718 O LEU A 44 2.438 6.581 -9.308 1.00 0.00 O ATOM 719 CB LEU A 44 3.660 7.038 -6.468 1.00 0.00 C ATOM 720 CG LEU A 44 4.707 7.709 -7.358 1.00 0.00 C ATOM 721 CD1 LEU A 44 4.115 8.888 -8.120 1.00 0.00 C ATOM 722 CD2 LEU A 44 5.884 8.156 -6.509 1.00 0.00 C ATOM 0 H LEU A 44 1.755 6.203 -5.141 1.00 0.00 H new ATOM 0 HA LEU A 44 1.991 8.125 -7.243 1.00 0.00 H new ATOM 0 HB2 LEU A 44 3.697 7.503 -5.483 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.938 5.992 -6.338 1.00 0.00 H new ATOM 0 HG LEU A 44 5.050 6.984 -8.096 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.885 9.342 -8.743 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.297 8.540 -8.751 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.738 9.626 -7.412 1.00 0.00 H new ATOM 0 HD21 LEU A 44 6.630 8.634 -7.144 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.541 8.865 -5.756 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.327 7.290 -6.017 1.00 0.00 H new ATOM 734 N VAL A 45 1.442 5.034 -7.999 1.00 0.00 N ATOM 735 CA VAL A 45 1.184 4.119 -9.091 1.00 0.00 C ATOM 736 C VAL A 45 0.035 4.679 -9.906 1.00 0.00 C ATOM 737 O VAL A 45 -0.059 4.450 -11.106 1.00 0.00 O ATOM 738 CB VAL A 45 0.822 2.690 -8.597 1.00 0.00 C ATOM 739 CG1 VAL A 45 1.641 2.290 -7.405 1.00 0.00 C ATOM 740 CG2 VAL A 45 -0.663 2.566 -8.274 1.00 0.00 C ATOM 0 H VAL A 45 1.119 4.707 -7.088 1.00 0.00 H new ATOM 0 HA VAL A 45 2.091 4.027 -9.688 1.00 0.00 H new ATOM 0 HB VAL A 45 1.054 2.010 -9.417 1.00 0.00 H new ATOM 0 HG11 VAL A 45 1.358 1.286 -7.090 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.698 2.303 -7.669 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.462 2.990 -6.589 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -0.878 1.554 -7.932 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.926 3.277 -7.491 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -1.249 2.779 -9.168 1.00 0.00 H new ATOM 750 N GLN A 46 -0.835 5.425 -9.215 1.00 0.00 N ATOM 751 CA GLN A 46 -2.004 6.049 -9.837 1.00 0.00 C ATOM 752 C GLN A 46 -1.657 6.590 -11.213 1.00 0.00 C ATOM 753 O GLN A 46 -2.492 6.572 -12.118 1.00 0.00 O ATOM 754 CB GLN A 46 -2.556 7.176 -8.963 1.00 0.00 C ATOM 755 CG GLN A 46 -3.286 6.685 -7.723 1.00 0.00 C ATOM 756 CD GLN A 46 -4.481 7.549 -7.370 1.00 0.00 C ATOM 757 OE1 GLN A 46 -4.420 8.367 -6.452 1.00 0.00 O ATOM 758 NE2 GLN A 46 -5.576 7.371 -8.100 1.00 0.00 N ATOM 0 H GLN A 46 -0.748 5.611 -8.216 1.00 0.00 H new ATOM 0 HA GLN A 46 -2.771 5.281 -9.941 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -1.734 7.823 -8.658 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -3.237 7.785 -9.558 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -3.619 5.659 -7.884 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -2.594 6.667 -6.881 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -5.581 6.681 -8.851 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -6.412 7.924 -7.909 1.00 0.00 H new ATOM 767 N LYS A 47 -0.408 7.041 -11.380 1.00 0.00 N ATOM 768 CA LYS A 47 0.043 7.542 -12.673 1.00 0.00 C ATOM 769 C LYS A 47 -0.470 6.596 -13.742 1.00 0.00 C ATOM 770 O LYS A 47 -0.963 7.010 -14.792 1.00 0.00 O ATOM 771 CB LYS A 47 1.576 7.640 -12.699 1.00 0.00 C ATOM 772 CG LYS A 47 2.220 7.246 -14.023 1.00 0.00 C ATOM 773 CD LYS A 47 1.646 8.041 -15.187 1.00 0.00 C ATOM 774 CE LYS A 47 2.583 9.158 -15.618 1.00 0.00 C ATOM 775 NZ LYS A 47 1.943 10.498 -15.498 1.00 0.00 N ATOM 0 H LYS A 47 0.297 7.067 -10.643 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.345 8.544 -12.856 1.00 0.00 H new ATOM 0 HB2 LYS A 47 1.865 8.664 -12.461 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.980 7.004 -11.911 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.296 7.409 -13.967 1.00 0.00 H new ATOM 0 HG3 LYS A 47 2.067 6.181 -14.199 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.463 7.374 -16.029 1.00 0.00 H new ATOM 0 HD3 LYS A 47 0.683 8.463 -14.900 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.485 9.131 -15.007 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.892 8.994 -16.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.615 11.232 -15.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 1.096 10.533 -16.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 1.671 10.665 -14.508 1.00 0.00 H new ATOM 789 N PHE A 48 -0.396 5.317 -13.416 1.00 0.00 N ATOM 790 CA PHE A 48 -0.893 4.276 -14.273 1.00 0.00 C ATOM 791 C PHE A 48 -2.077 3.614 -13.591 1.00 0.00 C ATOM 792 O PHE A 48 -3.103 3.338 -14.212 1.00 0.00 O ATOM 793 CB PHE A 48 0.196 3.251 -14.562 1.00 0.00 C ATOM 794 CG PHE A 48 0.047 2.621 -15.915 1.00 0.00 C ATOM 795 CD1 PHE A 48 -1.120 1.957 -16.258 1.00 0.00 C ATOM 796 CD2 PHE A 48 1.064 2.710 -16.852 1.00 0.00 C ATOM 797 CE1 PHE A 48 -1.270 1.394 -17.510 1.00 0.00 C ATOM 798 CE2 PHE A 48 0.921 2.146 -18.105 1.00 0.00 C ATOM 799 CZ PHE A 48 -0.248 1.487 -18.434 1.00 0.00 C ATOM 0 H PHE A 48 0.013 4.979 -12.545 1.00 0.00 H new ATOM 0 HA PHE A 48 -1.206 4.704 -15.225 1.00 0.00 H new ATOM 0 HB2 PHE A 48 1.171 3.733 -14.495 1.00 0.00 H new ATOM 0 HB3 PHE A 48 0.171 2.474 -13.798 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -1.921 1.879 -15.538 1.00 0.00 H new ATOM 0 HD2 PHE A 48 1.979 3.226 -16.600 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -2.186 0.882 -17.766 1.00 0.00 H new ATOM 0 HE2 PHE A 48 1.722 2.220 -18.826 1.00 0.00 H new ATOM 0 HZ PHE A 48 -0.362 1.045 -19.413 1.00 0.00 H new ATOM 809 N GLY A 49 -1.904 3.347 -12.297 1.00 0.00 N ATOM 810 CA GLY A 49 -2.928 2.702 -11.509 1.00 0.00 C ATOM 811 C GLY A 49 -3.414 1.458 -12.195 1.00 0.00 C ATOM 812 O GLY A 49 -4.507 0.959 -11.928 1.00 0.00 O ATOM 0 H GLY A 49 -1.055 3.573 -11.779 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -2.533 2.451 -10.524 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -3.761 3.388 -11.353 1.00 0.00 H new ATOM 816 N GLY A 50 -2.565 0.952 -13.079 1.00 0.00 N ATOM 817 CA GLY A 50 -2.870 -0.240 -13.801 1.00 0.00 C ATOM 818 C GLY A 50 -1.827 -1.286 -13.528 1.00 0.00 C ATOM 819 O GLY A 50 -1.365 -1.970 -14.437 1.00 0.00 O ATOM 0 H GLY A 50 -1.659 1.363 -13.303 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.853 -0.610 -13.510 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -2.913 -0.027 -14.869 1.00 0.00 H new ATOM 823 N ALA A 51 -1.455 -1.369 -12.251 1.00 0.00 N ATOM 824 CA ALA A 51 -0.447 -2.295 -11.743 1.00 0.00 C ATOM 825 C ALA A 51 0.136 -3.215 -12.811 1.00 0.00 C ATOM 826 O ALA A 51 1.341 -3.219 -13.053 1.00 0.00 O ATOM 827 CB ALA A 51 -1.043 -3.110 -10.617 1.00 0.00 C ATOM 0 H ALA A 51 -1.858 -0.778 -11.524 1.00 0.00 H new ATOM 0 HA ALA A 51 0.387 -1.692 -11.383 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.294 -3.803 -10.234 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.364 -2.444 -9.816 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.901 -3.671 -10.988 1.00 0.00 H new ATOM 833 N ASP A 52 -0.731 -4.004 -13.423 1.00 0.00 N ATOM 834 CA ASP A 52 -0.328 -4.961 -14.450 1.00 0.00 C ATOM 835 C ASP A 52 0.557 -4.349 -15.539 1.00 0.00 C ATOM 836 O ASP A 52 1.529 -4.972 -15.967 1.00 0.00 O ATOM 837 CB ASP A 52 -1.568 -5.586 -15.092 1.00 0.00 C ATOM 838 CG ASP A 52 -1.449 -7.090 -15.238 1.00 0.00 C ATOM 839 OD1 ASP A 52 -0.580 -7.544 -16.012 1.00 0.00 O ATOM 840 OD2 ASP A 52 -2.224 -7.813 -14.579 1.00 0.00 O ATOM 0 H ASP A 52 -1.732 -4.003 -13.226 1.00 0.00 H new ATOM 0 HA ASP A 52 0.270 -5.721 -13.947 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.444 -5.351 -14.488 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -1.729 -5.140 -16.074 1.00 0.00 H new ATOM 845 N GLN A 53 0.225 -3.146 -16.002 1.00 0.00 N ATOM 846 CA GLN A 53 1.006 -2.506 -17.048 1.00 0.00 C ATOM 847 C GLN A 53 2.074 -1.613 -16.457 1.00 0.00 C ATOM 848 O GLN A 53 3.149 -1.438 -17.032 1.00 0.00 O ATOM 849 CB GLN A 53 0.102 -1.698 -17.976 1.00 0.00 C ATOM 850 CG GLN A 53 0.766 -1.325 -19.290 1.00 0.00 C ATOM 851 CD GLN A 53 -0.201 -1.333 -20.459 1.00 0.00 C ATOM 852 OE1 GLN A 53 0.144 -1.760 -21.561 1.00 0.00 O ATOM 853 NE2 GLN A 53 -1.420 -0.860 -20.225 1.00 0.00 N ATOM 0 H GLN A 53 -0.572 -2.602 -15.671 1.00 0.00 H new ATOM 0 HA GLN A 53 1.494 -3.290 -17.628 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -0.800 -2.273 -18.184 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -0.211 -0.788 -17.464 1.00 0.00 H new ATOM 0 HG2 GLN A 53 1.211 -0.334 -19.199 1.00 0.00 H new ATOM 0 HG3 GLN A 53 1.579 -2.022 -19.492 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -1.664 -0.516 -19.296 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -2.112 -0.841 -20.974 1.00 0.00 H new ATOM 862 N VAL A 54 1.755 -1.024 -15.317 1.00 0.00 N ATOM 863 CA VAL A 54 2.668 -0.116 -14.660 1.00 0.00 C ATOM 864 C VAL A 54 3.933 -0.811 -14.177 1.00 0.00 C ATOM 865 O VAL A 54 4.921 -0.162 -13.848 1.00 0.00 O ATOM 866 CB VAL A 54 1.979 0.641 -13.509 1.00 0.00 C ATOM 867 CG1 VAL A 54 2.097 -0.039 -12.165 1.00 0.00 C ATOM 868 CG2 VAL A 54 2.568 2.003 -13.413 1.00 0.00 C ATOM 0 H VAL A 54 0.869 -1.161 -14.830 1.00 0.00 H new ATOM 0 HA VAL A 54 2.973 0.614 -15.410 1.00 0.00 H new ATOM 0 HB VAL A 54 0.916 0.671 -13.748 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.586 0.558 -11.409 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.641 -1.028 -12.216 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.149 -0.138 -11.898 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.089 2.550 -12.601 1.00 0.00 H new ATOM 0 HG22 VAL A 54 3.637 1.924 -13.216 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.410 2.534 -14.352 1.00 0.00 H new ATOM 878 N THR A 55 3.895 -2.127 -14.152 1.00 0.00 N ATOM 879 CA THR A 55 5.038 -2.921 -13.719 1.00 0.00 C ATOM 880 C THR A 55 6.204 -2.792 -14.682 1.00 0.00 C ATOM 881 O THR A 55 7.369 -2.787 -14.285 1.00 0.00 O ATOM 882 CB THR A 55 4.658 -4.389 -13.591 1.00 0.00 C ATOM 883 OG1 THR A 55 3.254 -4.547 -13.549 1.00 0.00 O ATOM 884 CG2 THR A 55 5.237 -5.018 -12.352 1.00 0.00 C ATOM 0 H THR A 55 3.081 -2.677 -14.427 1.00 0.00 H new ATOM 0 HA THR A 55 5.343 -2.536 -12.746 1.00 0.00 H new ATOM 0 HB THR A 55 5.068 -4.886 -14.470 1.00 0.00 H new ATOM 0 HG1 THR A 55 3.032 -5.377 -13.077 1.00 0.00 H new ATOM 0 HG21 THR A 55 4.940 -6.065 -12.303 1.00 0.00 H new ATOM 0 HG22 THR A 55 6.324 -4.951 -12.384 1.00 0.00 H new ATOM 0 HG23 THR A 55 4.867 -4.494 -11.471 1.00 0.00 H new ATOM 892 N ARG A 56 5.870 -2.715 -15.950 1.00 0.00 N ATOM 893 CA ARG A 56 6.872 -2.613 -17.009 1.00 0.00 C ATOM 894 C ARG A 56 6.750 -1.307 -17.794 1.00 0.00 C ATOM 895 O ARG A 56 6.779 -1.309 -19.025 1.00 0.00 O ATOM 896 CB ARG A 56 6.748 -3.806 -17.962 1.00 0.00 C ATOM 897 CG ARG A 56 5.478 -3.789 -18.801 1.00 0.00 C ATOM 898 CD ARG A 56 4.532 -4.916 -18.414 1.00 0.00 C ATOM 899 NE ARG A 56 4.474 -5.958 -19.438 1.00 0.00 N ATOM 900 CZ ARG A 56 3.474 -6.829 -19.555 1.00 0.00 C ATOM 901 NH1 ARG A 56 2.448 -6.791 -18.714 1.00 0.00 N ATOM 902 NH2 ARG A 56 3.500 -7.742 -20.516 1.00 0.00 N ATOM 0 H ARG A 56 4.906 -2.720 -16.284 1.00 0.00 H new ATOM 0 HA ARG A 56 7.852 -2.620 -16.533 1.00 0.00 H new ATOM 0 HB2 ARG A 56 7.612 -3.820 -18.627 1.00 0.00 H new ATOM 0 HB3 ARG A 56 6.777 -4.728 -17.382 1.00 0.00 H new ATOM 0 HG2 ARG A 56 4.973 -2.831 -18.677 1.00 0.00 H new ATOM 0 HG3 ARG A 56 5.738 -3.878 -19.856 1.00 0.00 H new ATOM 0 HD2 ARG A 56 4.856 -5.353 -17.470 1.00 0.00 H new ATOM 0 HD3 ARG A 56 3.533 -4.511 -18.252 1.00 0.00 H new ATOM 0 HE ARG A 56 5.246 -6.021 -20.102 1.00 0.00 H new ATOM 0 HH11 ARG A 56 2.422 -6.091 -17.972 1.00 0.00 H new ATOM 0 HH12 ARG A 56 1.685 -7.461 -18.809 1.00 0.00 H new ATOM 0 HH21 ARG A 56 4.286 -7.777 -21.165 1.00 0.00 H new ATOM 0 HH22 ARG A 56 2.734 -8.410 -20.606 1.00 0.00 H new ATOM 916 N THR A 57 6.621 -0.193 -17.082 1.00 0.00 N ATOM 917 CA THR A 57 6.506 1.113 -17.728 1.00 0.00 C ATOM 918 C THR A 57 7.448 2.128 -17.088 1.00 0.00 C ATOM 919 O THR A 57 8.210 1.798 -16.179 1.00 0.00 O ATOM 920 CB THR A 57 5.070 1.627 -17.635 1.00 0.00 C ATOM 921 OG1 THR A 57 4.899 2.787 -18.434 1.00 0.00 O ATOM 922 CG2 THR A 57 4.661 1.974 -16.220 1.00 0.00 C ATOM 0 H THR A 57 6.593 -0.166 -16.063 1.00 0.00 H new ATOM 0 HA THR A 57 6.783 0.990 -18.775 1.00 0.00 H new ATOM 0 HB THR A 57 4.440 0.812 -17.992 1.00 0.00 H new ATOM 0 HG1 THR A 57 3.973 3.100 -18.363 1.00 0.00 H new ATOM 0 HG21 THR A 57 3.632 2.333 -16.216 1.00 0.00 H new ATOM 0 HG22 THR A 57 4.738 1.087 -15.591 1.00 0.00 H new ATOM 0 HG23 THR A 57 5.318 2.752 -15.832 1.00 0.00 H new ATOM 930 N GLN A 58 7.372 3.372 -17.555 1.00 0.00 N ATOM 931 CA GLN A 58 8.200 4.442 -17.012 1.00 0.00 C ATOM 932 C GLN A 58 7.638 4.896 -15.670 1.00 0.00 C ATOM 933 O GLN A 58 8.384 5.246 -14.755 1.00 0.00 O ATOM 934 CB GLN A 58 8.266 5.621 -17.986 1.00 0.00 C ATOM 935 CG GLN A 58 6.903 6.125 -18.430 1.00 0.00 C ATOM 936 CD GLN A 58 6.914 7.601 -18.777 1.00 0.00 C ATOM 937 OE1 GLN A 58 6.496 8.440 -17.978 1.00 0.00 O ATOM 938 NE2 GLN A 58 7.392 7.925 -19.972 1.00 0.00 N ATOM 0 H GLN A 58 6.746 3.662 -18.307 1.00 0.00 H new ATOM 0 HA GLN A 58 9.212 4.064 -16.867 1.00 0.00 H new ATOM 0 HB2 GLN A 58 8.810 6.440 -17.515 1.00 0.00 H new ATOM 0 HB3 GLN A 58 8.837 5.323 -18.865 1.00 0.00 H new ATOM 0 HG2 GLN A 58 6.573 5.554 -19.298 1.00 0.00 H new ATOM 0 HG3 GLN A 58 6.177 5.947 -17.636 1.00 0.00 H new ATOM 0 HE21 GLN A 58 7.728 7.196 -20.602 1.00 0.00 H new ATOM 0 HE22 GLN A 58 7.424 8.903 -20.261 1.00 0.00 H new ATOM 947 N GLN A 59 6.311 4.869 -15.561 1.00 0.00 N ATOM 948 CA GLN A 59 5.622 5.255 -14.336 1.00 0.00 C ATOM 949 C GLN A 59 6.279 4.608 -13.122 1.00 0.00 C ATOM 950 O GLN A 59 6.612 5.275 -12.140 1.00 0.00 O ATOM 951 CB GLN A 59 4.155 4.823 -14.411 1.00 0.00 C ATOM 952 CG GLN A 59 3.500 5.040 -15.774 1.00 0.00 C ATOM 953 CD GLN A 59 3.828 6.387 -16.396 1.00 0.00 C ATOM 954 OE1 GLN A 59 4.493 7.224 -15.788 1.00 0.00 O ATOM 955 NE2 GLN A 59 3.359 6.600 -17.620 1.00 0.00 N ATOM 0 H GLN A 59 5.688 4.580 -16.316 1.00 0.00 H new ATOM 0 HA GLN A 59 5.683 6.338 -14.232 1.00 0.00 H new ATOM 0 HB2 GLN A 59 4.087 3.766 -14.153 1.00 0.00 H new ATOM 0 HB3 GLN A 59 3.589 5.372 -13.658 1.00 0.00 H new ATOM 0 HG2 GLN A 59 3.819 4.248 -16.452 1.00 0.00 H new ATOM 0 HG3 GLN A 59 2.419 4.952 -15.667 1.00 0.00 H new ATOM 0 HE21 GLN A 59 2.811 5.879 -18.089 1.00 0.00 H new ATOM 0 HE22 GLN A 59 3.546 7.485 -18.091 1.00 0.00 H new ATOM 964 N TRP A 60 6.465 3.300 -13.204 1.00 0.00 N ATOM 965 CA TRP A 60 7.083 2.544 -12.127 1.00 0.00 C ATOM 966 C TRP A 60 8.395 3.165 -11.704 1.00 0.00 C ATOM 967 O TRP A 60 8.816 3.026 -10.558 1.00 0.00 O ATOM 968 CB TRP A 60 7.316 1.110 -12.565 1.00 0.00 C ATOM 969 CG TRP A 60 6.470 0.113 -11.846 1.00 0.00 C ATOM 970 CD1 TRP A 60 6.651 -1.229 -11.854 1.00 0.00 C ATOM 971 CD2 TRP A 60 5.311 0.358 -11.030 1.00 0.00 C ATOM 972 NE1 TRP A 60 5.682 -1.844 -11.115 1.00 0.00 N ATOM 973 CE2 TRP A 60 4.852 -0.896 -10.585 1.00 0.00 C ATOM 974 CE3 TRP A 60 4.613 1.505 -10.630 1.00 0.00 C ATOM 975 CZ2 TRP A 60 3.736 -1.037 -9.763 1.00 0.00 C ATOM 976 CZ3 TRP A 60 3.509 1.365 -9.817 1.00 0.00 C ATOM 977 CH2 TRP A 60 3.079 0.103 -9.387 1.00 0.00 C ATOM 0 H TRP A 60 6.195 2.737 -14.011 1.00 0.00 H new ATOM 0 HA TRP A 60 6.405 2.560 -11.274 1.00 0.00 H new ATOM 0 HB2 TRP A 60 7.123 1.031 -13.635 1.00 0.00 H new ATOM 0 HB3 TRP A 60 8.366 0.859 -12.411 1.00 0.00 H new ATOM 0 HD1 TRP A 60 7.449 -1.740 -12.372 1.00 0.00 H new ATOM 0 HE1 TRP A 60 5.592 -2.851 -10.980 1.00 0.00 H new ATOM 0 HE3 TRP A 60 4.935 2.484 -10.954 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 3.402 -2.010 -9.435 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 2.965 2.245 -9.506 1.00 0.00 H new ATOM 0 HH2 TRP A 60 2.213 0.028 -8.747 1.00 0.00 H new ATOM 988 N SER A 61 9.038 3.858 -12.625 1.00 0.00 N ATOM 989 CA SER A 61 10.297 4.499 -12.311 1.00 0.00 C ATOM 990 C SER A 61 10.101 5.440 -11.128 1.00 0.00 C ATOM 991 O SER A 61 11.017 5.661 -10.346 1.00 0.00 O ATOM 992 CB SER A 61 10.832 5.268 -13.521 1.00 0.00 C ATOM 993 OG SER A 61 12.184 5.646 -13.328 1.00 0.00 O ATOM 0 H SER A 61 8.714 3.990 -13.583 1.00 0.00 H new ATOM 0 HA SER A 61 11.029 3.735 -12.050 1.00 0.00 H new ATOM 0 HB2 SER A 61 10.748 4.650 -14.415 1.00 0.00 H new ATOM 0 HB3 SER A 61 10.223 6.156 -13.689 1.00 0.00 H new ATOM 0 HG SER A 61 12.503 6.134 -14.116 1.00 0.00 H new ATOM 999 N MET A 62 8.878 5.959 -10.980 1.00 0.00 N ATOM 1000 CA MET A 62 8.556 6.842 -9.869 1.00 0.00 C ATOM 1001 C MET A 62 8.253 5.994 -8.651 1.00 0.00 C ATOM 1002 O MET A 62 8.813 6.196 -7.574 1.00 0.00 O ATOM 1003 CB MET A 62 7.347 7.727 -10.192 1.00 0.00 C ATOM 1004 CG MET A 62 7.231 8.130 -11.655 1.00 0.00 C ATOM 1005 SD MET A 62 5.551 8.611 -12.106 1.00 0.00 S ATOM 1006 CE MET A 62 4.638 7.121 -11.702 1.00 0.00 C ATOM 0 H MET A 62 8.101 5.780 -11.616 1.00 0.00 H new ATOM 0 HA MET A 62 9.408 7.496 -9.680 1.00 0.00 H new ATOM 0 HB2 MET A 62 6.439 7.199 -9.901 1.00 0.00 H new ATOM 0 HB3 MET A 62 7.401 8.629 -9.583 1.00 0.00 H new ATOM 0 HG2 MET A 62 7.909 8.959 -11.855 1.00 0.00 H new ATOM 0 HG3 MET A 62 7.549 7.299 -12.284 1.00 0.00 H new ATOM 0 HE1 MET A 62 4.300 6.641 -12.620 1.00 0.00 H new ATOM 0 HE2 MET A 62 5.283 6.437 -11.151 1.00 0.00 H new ATOM 0 HE3 MET A 62 3.775 7.378 -11.089 1.00 0.00 H new ATOM 1016 N VAL A 63 7.384 5.012 -8.854 1.00 0.00 N ATOM 1017 CA VAL A 63 7.016 4.084 -7.802 1.00 0.00 C ATOM 1018 C VAL A 63 8.274 3.339 -7.352 1.00 0.00 C ATOM 1019 O VAL A 63 8.862 3.641 -6.305 1.00 0.00 O ATOM 1020 CB VAL A 63 5.935 3.108 -8.337 1.00 0.00 C ATOM 1021 CG1 VAL A 63 6.040 1.725 -7.726 1.00 0.00 C ATOM 1022 CG2 VAL A 63 4.551 3.674 -8.105 1.00 0.00 C ATOM 0 H VAL A 63 6.920 4.840 -9.746 1.00 0.00 H new ATOM 0 HA VAL A 63 6.597 4.610 -6.944 1.00 0.00 H new ATOM 0 HB VAL A 63 6.112 3.000 -9.407 1.00 0.00 H new ATOM 0 HG11 VAL A 63 5.259 1.085 -8.137 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.017 1.299 -7.956 1.00 0.00 H new ATOM 0 HG13 VAL A 63 5.920 1.795 -6.645 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.804 2.977 -8.486 1.00 0.00 H new ATOM 0 HG22 VAL A 63 4.394 3.826 -7.037 1.00 0.00 H new ATOM 0 HG23 VAL A 63 4.456 4.627 -8.625 1.00 0.00 H new ATOM 1032 N ALA A 64 8.682 2.380 -8.172 1.00 0.00 N ATOM 1033 CA ALA A 64 9.880 1.581 -7.914 1.00 0.00 C ATOM 1034 C ALA A 64 11.035 2.403 -7.321 1.00 0.00 C ATOM 1035 O ALA A 64 11.722 1.931 -6.416 1.00 0.00 O ATOM 1036 CB ALA A 64 10.338 0.918 -9.204 1.00 0.00 C ATOM 0 H ALA A 64 8.196 2.132 -9.034 1.00 0.00 H new ATOM 0 HA ALA A 64 9.608 0.831 -7.171 1.00 0.00 H new ATOM 0 HB1 ALA A 64 11.231 0.323 -9.010 1.00 0.00 H new ATOM 0 HB2 ALA A 64 9.546 0.272 -9.582 1.00 0.00 H new ATOM 0 HB3 ALA A 64 10.566 1.684 -9.946 1.00 0.00 H new ATOM 1042 N GLN A 65 11.269 3.619 -7.825 1.00 0.00 N ATOM 1043 CA GLN A 65 12.364 4.439 -7.297 1.00 0.00 C ATOM 1044 C GLN A 65 11.999 5.040 -5.943 1.00 0.00 C ATOM 1045 O GLN A 65 12.859 5.205 -5.077 1.00 0.00 O ATOM 1046 CB GLN A 65 12.755 5.551 -8.278 1.00 0.00 C ATOM 1047 CG GLN A 65 11.922 6.821 -8.148 1.00 0.00 C ATOM 1048 CD GLN A 65 12.361 7.908 -9.109 1.00 0.00 C ATOM 1049 OE1 GLN A 65 11.884 7.982 -10.242 1.00 0.00 O ATOM 1050 NE2 GLN A 65 13.276 8.759 -8.660 1.00 0.00 N ATOM 0 H GLN A 65 10.731 4.049 -8.578 1.00 0.00 H new ATOM 0 HA GLN A 65 13.223 3.781 -7.165 1.00 0.00 H new ATOM 0 HB2 GLN A 65 13.805 5.801 -8.126 1.00 0.00 H new ATOM 0 HB3 GLN A 65 12.662 5.172 -9.296 1.00 0.00 H new ATOM 0 HG2 GLN A 65 10.874 6.583 -8.329 1.00 0.00 H new ATOM 0 HG3 GLN A 65 11.993 7.194 -7.126 1.00 0.00 H new ATOM 0 HE21 GLN A 65 13.644 8.660 -7.714 1.00 0.00 H new ATOM 0 HE22 GLN A 65 13.611 9.512 -9.261 1.00 0.00 H new ATOM 1059 N ARG A 66 10.723 5.367 -5.766 1.00 0.00 N ATOM 1060 CA ARG A 66 10.249 5.952 -4.515 1.00 0.00 C ATOM 1061 C ARG A 66 10.764 5.162 -3.318 1.00 0.00 C ATOM 1062 O ARG A 66 11.431 5.709 -2.440 1.00 0.00 O ATOM 1063 CB ARG A 66 8.720 5.996 -4.497 1.00 0.00 C ATOM 1064 CG ARG A 66 8.150 7.399 -4.344 1.00 0.00 C ATOM 1065 CD ARG A 66 8.690 8.348 -5.405 1.00 0.00 C ATOM 1066 NE ARG A 66 8.225 9.719 -5.202 1.00 0.00 N ATOM 1067 CZ ARG A 66 8.786 10.575 -4.351 1.00 0.00 C ATOM 1068 NH1 ARG A 66 9.829 10.207 -3.617 1.00 0.00 N ATOM 1069 NH2 ARG A 66 8.303 11.805 -4.234 1.00 0.00 N ATOM 0 H ARG A 66 9.998 5.237 -6.472 1.00 0.00 H new ATOM 0 HA ARG A 66 10.634 6.969 -4.447 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.342 5.559 -5.421 1.00 0.00 H new ATOM 0 HB3 ARG A 66 8.357 5.375 -3.678 1.00 0.00 H new ATOM 0 HG2 ARG A 66 7.063 7.359 -4.412 1.00 0.00 H new ATOM 0 HG3 ARG A 66 8.394 7.784 -3.354 1.00 0.00 H new ATOM 0 HD2 ARG A 66 9.780 8.329 -5.388 1.00 0.00 H new ATOM 0 HD3 ARG A 66 8.381 8.003 -6.391 1.00 0.00 H new ATOM 0 HE ARG A 66 7.423 10.039 -5.745 1.00 0.00 H new ATOM 0 HH11 ARG A 66 10.206 9.263 -3.703 1.00 0.00 H new ATOM 0 HH12 ARG A 66 10.254 10.868 -2.967 1.00 0.00 H new ATOM 0 HH21 ARG A 66 7.502 12.094 -4.796 1.00 0.00 H new ATOM 0 HH22 ARG A 66 8.732 12.462 -3.582 1.00 0.00 H new ATOM 1083 N LEU A 67 10.460 3.870 -3.295 1.00 0.00 N ATOM 1084 CA LEU A 67 10.913 3.009 -2.199 1.00 0.00 C ATOM 1085 C LEU A 67 12.438 2.960 -2.136 1.00 0.00 C ATOM 1086 O LEU A 67 13.008 2.513 -1.140 1.00 0.00 O ATOM 1087 CB LEU A 67 10.399 1.565 -2.335 1.00 0.00 C ATOM 1088 CG LEU A 67 9.130 1.352 -3.160 1.00 0.00 C ATOM 1089 CD1 LEU A 67 9.446 1.386 -4.645 1.00 0.00 C ATOM 1090 CD2 LEU A 67 8.493 0.020 -2.794 1.00 0.00 C ATOM 0 H LEU A 67 9.909 3.396 -4.011 1.00 0.00 H new ATOM 0 HA LEU A 67 10.506 3.448 -1.288 1.00 0.00 H new ATOM 0 HB2 LEU A 67 11.194 0.963 -2.776 1.00 0.00 H new ATOM 0 HB3 LEU A 67 10.221 1.174 -1.333 1.00 0.00 H new ATOM 0 HG LEU A 67 8.431 2.158 -2.937 1.00 0.00 H new ATOM 0 HD11 LEU A 67 8.530 1.233 -5.216 1.00 0.00 H new ATOM 0 HD12 LEU A 67 9.877 2.353 -4.903 1.00 0.00 H new ATOM 0 HD13 LEU A 67 10.159 0.596 -4.884 1.00 0.00 H new ATOM 0 HD21 LEU A 67 7.589 -0.126 -3.385 1.00 0.00 H new ATOM 0 HD22 LEU A 67 9.195 -0.788 -3.000 1.00 0.00 H new ATOM 0 HD23 LEU A 67 8.238 0.018 -1.734 1.00 0.00 H new ATOM 1102 N GLN A 68 13.095 3.380 -3.216 1.00 0.00 N ATOM 1103 CA GLN A 68 14.551 3.338 -3.290 1.00 0.00 C ATOM 1104 C GLN A 68 14.989 1.896 -3.516 1.00 0.00 C ATOM 1105 O GLN A 68 16.028 1.456 -3.023 1.00 0.00 O ATOM 1106 CB GLN A 68 15.186 3.893 -2.011 1.00 0.00 C ATOM 1107 CG GLN A 68 16.627 4.339 -2.191 1.00 0.00 C ATOM 1108 CD GLN A 68 17.050 5.372 -1.165 1.00 0.00 C ATOM 1109 OE1 GLN A 68 16.461 6.449 -1.072 1.00 0.00 O ATOM 1110 NE2 GLN A 68 18.076 5.048 -0.387 1.00 0.00 N ATOM 0 H GLN A 68 12.641 3.753 -4.050 1.00 0.00 H new ATOM 0 HA GLN A 68 14.884 3.962 -4.119 1.00 0.00 H new ATOM 0 HB2 GLN A 68 14.594 4.738 -1.659 1.00 0.00 H new ATOM 0 HB3 GLN A 68 15.145 3.129 -1.234 1.00 0.00 H new ATOM 0 HG2 GLN A 68 17.283 3.472 -2.120 1.00 0.00 H new ATOM 0 HG3 GLN A 68 16.753 4.753 -3.191 1.00 0.00 H new ATOM 0 HE21 GLN A 68 18.535 4.144 -0.499 1.00 0.00 H new ATOM 0 HE22 GLN A 68 18.405 5.703 0.322 1.00 0.00 H new ATOM 1119 N ILE A 69 14.159 1.167 -4.257 1.00 0.00 N ATOM 1120 CA ILE A 69 14.402 -0.235 -4.559 1.00 0.00 C ATOM 1121 C ILE A 69 14.867 -0.415 -6.004 1.00 0.00 C ATOM 1122 O ILE A 69 15.743 -1.232 -6.287 1.00 0.00 O ATOM 1123 CB ILE A 69 13.120 -1.061 -4.310 1.00 0.00 C ATOM 1124 CG1 ILE A 69 13.328 -2.533 -4.702 1.00 0.00 C ATOM 1125 CG2 ILE A 69 11.946 -0.439 -5.060 1.00 0.00 C ATOM 1126 CD1 ILE A 69 12.049 -3.270 -5.053 1.00 0.00 C ATOM 0 H ILE A 69 13.299 1.535 -4.664 1.00 0.00 H new ATOM 0 HA ILE A 69 15.194 -0.591 -3.900 1.00 0.00 H new ATOM 0 HB ILE A 69 12.891 -1.043 -3.245 1.00 0.00 H new ATOM 0 HG12 ILE A 69 14.006 -2.578 -5.555 1.00 0.00 H new ATOM 0 HG13 ILE A 69 13.818 -3.051 -3.878 1.00 0.00 H new ATOM 0 HG21 ILE A 69 11.046 -1.027 -4.879 1.00 0.00 H new ATOM 0 HG22 ILE A 69 11.789 0.581 -4.709 1.00 0.00 H new ATOM 0 HG23 ILE A 69 12.162 -0.426 -6.128 1.00 0.00 H new ATOM 0 HD11 ILE A 69 12.284 -4.301 -5.318 1.00 0.00 H new ATOM 0 HD12 ILE A 69 11.376 -3.260 -4.196 1.00 0.00 H new ATOM 0 HD13 ILE A 69 11.567 -2.779 -5.898 1.00 0.00 H new ATOM 1138 N SER A 70 14.278 0.356 -6.911 1.00 0.00 N ATOM 1139 CA SER A 70 14.635 0.288 -8.326 1.00 0.00 C ATOM 1140 C SER A 70 14.317 -1.087 -8.912 1.00 0.00 C ATOM 1141 O SER A 70 15.003 -1.560 -9.817 1.00 0.00 O ATOM 1142 CB SER A 70 16.120 0.602 -8.514 1.00 0.00 C ATOM 1143 OG SER A 70 16.470 0.614 -9.887 1.00 0.00 O ATOM 0 H SER A 70 13.550 1.037 -6.693 1.00 0.00 H new ATOM 0 HA SER A 70 14.040 1.032 -8.856 1.00 0.00 H new ATOM 0 HB2 SER A 70 16.349 1.570 -8.069 1.00 0.00 H new ATOM 0 HB3 SER A 70 16.721 -0.140 -7.989 1.00 0.00 H new ATOM 0 HG SER A 70 16.177 -0.222 -10.307 1.00 0.00 H new ATOM 1149 N ASP A 71 13.274 -1.720 -8.388 1.00 0.00 N ATOM 1150 CA ASP A 71 12.860 -3.041 -8.854 1.00 0.00 C ATOM 1151 C ASP A 71 11.404 -3.017 -9.316 1.00 0.00 C ATOM 1152 O ASP A 71 10.559 -3.701 -8.745 1.00 0.00 O ATOM 1153 CB ASP A 71 13.041 -4.064 -7.728 1.00 0.00 C ATOM 1154 CG ASP A 71 13.751 -5.320 -8.192 1.00 0.00 C ATOM 1155 OD1 ASP A 71 13.533 -5.732 -9.351 1.00 0.00 O ATOM 1156 OD2 ASP A 71 14.525 -5.893 -7.396 1.00 0.00 O ATOM 0 H ASP A 71 12.697 -1.340 -7.638 1.00 0.00 H new ATOM 0 HA ASP A 71 13.482 -3.326 -9.702 1.00 0.00 H new ATOM 0 HB2 ASP A 71 13.608 -3.609 -6.916 1.00 0.00 H new ATOM 0 HB3 ASP A 71 12.065 -4.331 -7.324 1.00 0.00 H new ATOM 1161 N TYR A 72 11.125 -2.211 -10.347 1.00 0.00 N ATOM 1162 CA TYR A 72 9.770 -2.053 -10.900 1.00 0.00 C ATOM 1163 C TYR A 72 8.952 -3.345 -10.830 1.00 0.00 C ATOM 1164 O TYR A 72 7.731 -3.322 -10.630 1.00 0.00 O ATOM 1165 CB TYR A 72 9.832 -1.564 -12.353 1.00 0.00 C ATOM 1166 CG TYR A 72 11.098 -0.814 -12.715 1.00 0.00 C ATOM 1167 CD1 TYR A 72 11.299 0.493 -12.291 1.00 0.00 C ATOM 1168 CD2 TYR A 72 12.088 -1.415 -13.482 1.00 0.00 C ATOM 1169 CE1 TYR A 72 12.451 1.181 -12.621 1.00 0.00 C ATOM 1170 CE2 TYR A 72 13.243 -0.734 -13.816 1.00 0.00 C ATOM 1171 CZ TYR A 72 13.420 0.563 -13.383 1.00 0.00 C ATOM 1172 OH TYR A 72 14.569 1.244 -13.713 1.00 0.00 O ATOM 0 H TYR A 72 11.830 -1.649 -10.823 1.00 0.00 H new ATOM 0 HA TYR A 72 9.268 -1.309 -10.282 1.00 0.00 H new ATOM 0 HB2 TYR A 72 9.733 -2.424 -13.016 1.00 0.00 H new ATOM 0 HB3 TYR A 72 8.976 -0.916 -12.541 1.00 0.00 H new ATOM 0 HD1 TYR A 72 10.542 0.980 -11.693 1.00 0.00 H new ATOM 0 HD2 TYR A 72 11.953 -2.431 -13.823 1.00 0.00 H new ATOM 0 HE1 TYR A 72 12.592 2.197 -12.284 1.00 0.00 H new ATOM 0 HE2 TYR A 72 14.003 -1.215 -14.413 1.00 0.00 H new ATOM 0 HH TYR A 72 15.148 0.666 -14.252 1.00 0.00 H new ATOM 1182 N GLN A 73 9.620 -4.469 -10.997 1.00 0.00 N ATOM 1183 CA GLN A 73 8.949 -5.751 -10.959 1.00 0.00 C ATOM 1184 C GLN A 73 8.398 -6.042 -9.559 1.00 0.00 C ATOM 1185 O GLN A 73 7.260 -6.505 -9.400 1.00 0.00 O ATOM 1186 CB GLN A 73 9.929 -6.826 -11.433 1.00 0.00 C ATOM 1187 CG GLN A 73 10.593 -7.622 -10.325 1.00 0.00 C ATOM 1188 CD GLN A 73 9.838 -8.899 -10.004 1.00 0.00 C ATOM 1189 OE1 GLN A 73 9.946 -9.896 -10.718 1.00 0.00 O ATOM 1190 NE2 GLN A 73 9.067 -8.872 -8.922 1.00 0.00 N ATOM 0 H GLN A 73 10.626 -4.520 -11.160 1.00 0.00 H new ATOM 0 HA GLN A 73 8.088 -5.743 -11.627 1.00 0.00 H new ATOM 0 HB2 GLN A 73 9.398 -7.517 -12.088 1.00 0.00 H new ATOM 0 HB3 GLN A 73 10.705 -6.350 -12.033 1.00 0.00 H new ATOM 0 HG2 GLN A 73 11.613 -7.869 -10.619 1.00 0.00 H new ATOM 0 HG3 GLN A 73 10.660 -7.006 -9.428 1.00 0.00 H new ATOM 0 HE21 GLN A 73 9.008 -8.023 -8.359 1.00 0.00 H new ATOM 0 HE22 GLN A 73 8.535 -9.700 -8.654 1.00 0.00 H new ATOM 1199 N GLN A 74 9.192 -5.734 -8.539 1.00 0.00 N ATOM 1200 CA GLN A 74 8.770 -5.940 -7.169 1.00 0.00 C ATOM 1201 C GLN A 74 7.600 -5.032 -6.874 1.00 0.00 C ATOM 1202 O GLN A 74 6.720 -5.371 -6.087 1.00 0.00 O ATOM 1203 CB GLN A 74 9.923 -5.653 -6.205 1.00 0.00 C ATOM 1204 CG GLN A 74 10.039 -6.658 -5.071 1.00 0.00 C ATOM 1205 CD GLN A 74 10.438 -8.038 -5.556 1.00 0.00 C ATOM 1206 OE1 GLN A 74 10.818 -8.217 -6.713 1.00 0.00 O ATOM 1207 NE2 GLN A 74 10.356 -9.024 -4.669 1.00 0.00 N ATOM 0 H GLN A 74 10.128 -5.342 -8.640 1.00 0.00 H new ATOM 0 HA GLN A 74 8.469 -6.979 -7.034 1.00 0.00 H new ATOM 0 HB2 GLN A 74 10.858 -5.642 -6.765 1.00 0.00 H new ATOM 0 HB3 GLN A 74 9.792 -4.657 -5.783 1.00 0.00 H new ATOM 0 HG2 GLN A 74 10.775 -6.303 -4.349 1.00 0.00 H new ATOM 0 HG3 GLN A 74 9.085 -6.722 -4.548 1.00 0.00 H new ATOM 0 HE21 GLN A 74 10.036 -8.831 -3.720 1.00 0.00 H new ATOM 0 HE22 GLN A 74 10.613 -9.974 -4.937 1.00 0.00 H new ATOM 1216 N LEU A 75 7.604 -3.875 -7.528 1.00 0.00 N ATOM 1217 CA LEU A 75 6.563 -2.892 -7.363 1.00 0.00 C ATOM 1218 C LEU A 75 5.196 -3.480 -7.571 1.00 0.00 C ATOM 1219 O LEU A 75 4.441 -3.625 -6.622 1.00 0.00 O ATOM 1220 CB LEU A 75 6.808 -1.736 -8.291 1.00 0.00 C ATOM 1221 CG LEU A 75 7.933 -0.855 -7.808 1.00 0.00 C ATOM 1222 CD1 LEU A 75 7.608 -0.337 -6.424 1.00 0.00 C ATOM 1223 CD2 LEU A 75 9.238 -1.621 -7.773 1.00 0.00 C ATOM 0 H LEU A 75 8.334 -3.601 -8.186 1.00 0.00 H new ATOM 0 HA LEU A 75 6.592 -2.533 -6.334 1.00 0.00 H new ATOM 0 HB2 LEU A 75 7.044 -2.113 -9.286 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.897 -1.144 -8.382 1.00 0.00 H new ATOM 0 HG LEU A 75 8.043 -0.019 -8.499 1.00 0.00 H new ATOM 0 HD11 LEU A 75 8.420 0.300 -6.074 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.684 0.240 -6.459 1.00 0.00 H new ATOM 0 HD13 LEU A 75 7.485 -1.177 -5.741 1.00 0.00 H new ATOM 0 HD21 LEU A 75 10.035 -0.966 -7.422 1.00 0.00 H new ATOM 0 HD22 LEU A 75 9.143 -2.471 -7.098 1.00 0.00 H new ATOM 0 HD23 LEU A 75 9.477 -1.978 -8.775 1.00 0.00 H new ATOM 1235 N GLU A 76 4.848 -3.856 -8.781 1.00 0.00 N ATOM 1236 CA GLU A 76 3.526 -4.444 -8.925 1.00 0.00 C ATOM 1237 C GLU A 76 3.413 -5.691 -8.059 1.00 0.00 C ATOM 1238 O GLU A 76 2.314 -6.137 -7.754 1.00 0.00 O ATOM 1239 CB GLU A 76 3.109 -4.766 -10.343 1.00 0.00 C ATOM 1240 CG GLU A 76 1.611 -4.988 -10.406 1.00 0.00 C ATOM 1241 CD GLU A 76 1.156 -5.741 -11.639 1.00 0.00 C ATOM 1242 OE1 GLU A 76 2.023 -6.212 -12.403 1.00 0.00 O ATOM 1243 OE2 GLU A 76 -0.071 -5.876 -11.828 1.00 0.00 O ATOM 0 H GLU A 76 5.411 -3.777 -9.628 1.00 0.00 H new ATOM 0 HA GLU A 76 2.835 -3.669 -8.592 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.392 -3.950 -11.008 1.00 0.00 H new ATOM 0 HB3 GLU A 76 3.632 -5.657 -10.691 1.00 0.00 H new ATOM 0 HG2 GLU A 76 1.297 -5.538 -9.519 1.00 0.00 H new ATOM 0 HG3 GLU A 76 1.108 -4.021 -10.376 1.00 0.00 H new ATOM 1250 N SER A 77 4.546 -6.214 -7.591 1.00 0.00 N ATOM 1251 CA SER A 77 4.500 -7.349 -6.691 1.00 0.00 C ATOM 1252 C SER A 77 3.916 -6.825 -5.390 1.00 0.00 C ATOM 1253 O SER A 77 3.243 -7.527 -4.639 1.00 0.00 O ATOM 1254 CB SER A 77 5.896 -7.936 -6.466 1.00 0.00 C ATOM 1255 OG SER A 77 5.857 -9.352 -6.452 1.00 0.00 O ATOM 0 H SER A 77 5.481 -5.875 -7.817 1.00 0.00 H new ATOM 0 HA SER A 77 3.895 -8.155 -7.105 1.00 0.00 H new ATOM 0 HB2 SER A 77 6.568 -7.595 -7.253 1.00 0.00 H new ATOM 0 HB3 SER A 77 6.300 -7.571 -5.522 1.00 0.00 H new ATOM 0 HG SER A 77 6.761 -9.703 -6.309 1.00 0.00 H new ATOM 1261 N ILE A 78 4.166 -5.539 -5.185 1.00 0.00 N ATOM 1262 CA ILE A 78 3.684 -4.804 -4.044 1.00 0.00 C ATOM 1263 C ILE A 78 2.231 -4.416 -4.247 1.00 0.00 C ATOM 1264 O ILE A 78 1.377 -4.640 -3.390 1.00 0.00 O ATOM 1265 CB ILE A 78 4.510 -3.504 -3.840 1.00 0.00 C ATOM 1266 CG1 ILE A 78 3.882 -2.303 -4.581 1.00 0.00 C ATOM 1267 CG2 ILE A 78 5.939 -3.694 -4.293 1.00 0.00 C ATOM 1268 CD1 ILE A 78 4.008 -1.010 -3.826 1.00 0.00 C ATOM 0 H ILE A 78 4.722 -4.974 -5.826 1.00 0.00 H new ATOM 0 HA ILE A 78 3.784 -5.445 -3.168 1.00 0.00 H new ATOM 0 HB ILE A 78 4.501 -3.287 -2.772 1.00 0.00 H new ATOM 0 HG12 ILE A 78 4.359 -2.195 -5.555 1.00 0.00 H new ATOM 0 HG13 ILE A 78 2.827 -2.508 -4.764 1.00 0.00 H new ATOM 0 HG21 ILE A 78 6.495 -2.769 -4.139 1.00 0.00 H new ATOM 0 HG22 ILE A 78 6.400 -4.495 -3.716 1.00 0.00 H new ATOM 0 HG23 ILE A 78 5.954 -3.955 -5.351 1.00 0.00 H new ATOM 0 HD11 ILE A 78 3.547 -0.207 -4.401 1.00 0.00 H new ATOM 0 HD12 ILE A 78 3.506 -1.101 -2.863 1.00 0.00 H new ATOM 0 HD13 ILE A 78 5.062 -0.783 -3.666 1.00 0.00 H new ATOM 1280 N TYR A 79 1.970 -3.797 -5.394 1.00 0.00 N ATOM 1281 CA TYR A 79 0.647 -3.338 -5.707 1.00 0.00 C ATOM 1282 C TYR A 79 -0.251 -4.510 -5.934 1.00 0.00 C ATOM 1283 O TYR A 79 -1.311 -4.624 -5.341 1.00 0.00 O ATOM 1284 CB TYR A 79 0.642 -2.439 -6.943 1.00 0.00 C ATOM 1285 CG TYR A 79 -0.700 -1.780 -7.181 1.00 0.00 C ATOM 1286 CD1 TYR A 79 -1.715 -2.451 -7.850 1.00 0.00 C ATOM 1287 CD2 TYR A 79 -0.956 -0.492 -6.726 1.00 0.00 C ATOM 1288 CE1 TYR A 79 -2.946 -1.858 -8.063 1.00 0.00 C ATOM 1289 CE2 TYR A 79 -2.186 0.106 -6.935 1.00 0.00 C ATOM 1290 CZ TYR A 79 -3.175 -0.580 -7.604 1.00 0.00 C ATOM 1291 OH TYR A 79 -4.399 0.014 -7.813 1.00 0.00 O ATOM 0 H TYR A 79 2.667 -3.608 -6.114 1.00 0.00 H new ATOM 0 HA TYR A 79 0.286 -2.751 -4.863 1.00 0.00 H new ATOM 0 HB2 TYR A 79 1.405 -1.669 -6.830 1.00 0.00 H new ATOM 0 HB3 TYR A 79 0.912 -3.030 -7.818 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -1.540 -3.454 -8.210 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -0.183 0.050 -6.201 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -3.724 -2.394 -8.587 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -2.370 1.107 -6.575 1.00 0.00 H new ATOM 0 HH TYR A 79 -4.793 -0.331 -8.642 1.00 0.00 H new ATOM 1301 N PHE A 80 0.190 -5.373 -6.813 1.00 0.00 N ATOM 1302 CA PHE A 80 -0.590 -6.546 -7.170 1.00 0.00 C ATOM 1303 C PHE A 80 -0.398 -7.729 -6.229 1.00 0.00 C ATOM 1304 O PHE A 80 -1.385 -8.296 -5.741 1.00 0.00 O ATOM 1305 CB PHE A 80 -0.261 -6.980 -8.607 1.00 0.00 C ATOM 1306 CG PHE A 80 -0.938 -8.250 -9.067 1.00 0.00 C ATOM 1307 CD1 PHE A 80 -2.069 -8.741 -8.430 1.00 0.00 C ATOM 1308 CD2 PHE A 80 -0.431 -8.954 -10.149 1.00 0.00 C ATOM 1309 CE1 PHE A 80 -2.677 -9.905 -8.863 1.00 0.00 C ATOM 1310 CE2 PHE A 80 -1.035 -10.117 -10.585 1.00 0.00 C ATOM 1311 CZ PHE A 80 -2.160 -10.593 -9.941 1.00 0.00 C ATOM 0 H PHE A 80 1.083 -5.292 -7.298 1.00 0.00 H new ATOM 0 HA PHE A 80 -1.634 -6.246 -7.084 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -0.538 -6.173 -9.286 1.00 0.00 H new ATOM 0 HB3 PHE A 80 0.818 -7.111 -8.692 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -2.479 -8.207 -7.586 1.00 0.00 H new ATOM 0 HD2 PHE A 80 0.448 -8.588 -10.658 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -3.556 -10.275 -8.357 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -0.628 -10.654 -11.429 1.00 0.00 H new ATOM 0 HZ PHE A 80 -2.634 -11.502 -10.281 1.00 0.00 H new ATOM 1321 N ARG A 81 0.852 -8.140 -6.016 1.00 0.00 N ATOM 1322 CA ARG A 81 1.114 -9.325 -5.205 1.00 0.00 C ATOM 1323 C ARG A 81 1.059 -9.088 -3.705 1.00 0.00 C ATOM 1324 O ARG A 81 1.012 -10.047 -2.934 1.00 0.00 O ATOM 1325 CB ARG A 81 2.450 -9.947 -5.606 1.00 0.00 C ATOM 1326 CG ARG A 81 2.380 -10.743 -6.902 1.00 0.00 C ATOM 1327 CD ARG A 81 1.568 -10.018 -7.971 1.00 0.00 C ATOM 1328 NE ARG A 81 1.640 -10.694 -9.264 1.00 0.00 N ATOM 1329 CZ ARG A 81 2.658 -10.566 -10.112 1.00 0.00 C ATOM 1330 NH1 ARG A 81 3.693 -9.793 -9.807 1.00 0.00 N ATOM 1331 NH2 ARG A 81 2.642 -11.215 -11.269 1.00 0.00 N ATOM 0 H ARG A 81 1.683 -7.679 -6.386 1.00 0.00 H new ATOM 0 HA ARG A 81 0.299 -10.018 -5.414 1.00 0.00 H new ATOM 0 HB2 ARG A 81 3.193 -9.157 -5.713 1.00 0.00 H new ATOM 0 HB3 ARG A 81 2.793 -10.601 -4.804 1.00 0.00 H new ATOM 0 HG2 ARG A 81 3.389 -10.923 -7.272 1.00 0.00 H new ATOM 0 HG3 ARG A 81 1.934 -11.718 -6.706 1.00 0.00 H new ATOM 0 HD2 ARG A 81 0.527 -9.952 -7.654 1.00 0.00 H new ATOM 0 HD3 ARG A 81 1.935 -8.997 -8.075 1.00 0.00 H new ATOM 0 HE ARG A 81 0.865 -11.300 -9.533 1.00 0.00 H new ATOM 0 HH11 ARG A 81 3.712 -9.293 -8.918 1.00 0.00 H new ATOM 0 HH12 ARG A 81 4.470 -9.699 -10.461 1.00 0.00 H new ATOM 0 HH21 ARG A 81 1.850 -11.812 -11.508 1.00 0.00 H new ATOM 0 HH22 ARG A 81 3.422 -11.117 -11.919 1.00 0.00 H new ATOM 1345 N ILE A 82 1.051 -7.838 -3.275 1.00 0.00 N ATOM 1346 CA ILE A 82 0.987 -7.562 -1.853 1.00 0.00 C ATOM 1347 C ILE A 82 -0.332 -6.903 -1.474 1.00 0.00 C ATOM 1348 O ILE A 82 -0.795 -7.062 -0.346 1.00 0.00 O ATOM 1349 CB ILE A 82 2.179 -6.704 -1.383 1.00 0.00 C ATOM 1350 CG1 ILE A 82 3.465 -7.520 -1.487 1.00 0.00 C ATOM 1351 CG2 ILE A 82 1.973 -6.221 0.046 1.00 0.00 C ATOM 1352 CD1 ILE A 82 4.700 -6.761 -1.057 1.00 0.00 C ATOM 0 H ILE A 82 1.087 -7.015 -3.876 1.00 0.00 H new ATOM 0 HA ILE A 82 1.046 -8.522 -1.340 1.00 0.00 H new ATOM 0 HB ILE A 82 2.254 -5.826 -2.025 1.00 0.00 H new ATOM 0 HG12 ILE A 82 3.368 -8.416 -0.874 1.00 0.00 H new ATOM 0 HG13 ILE A 82 3.593 -7.851 -2.518 1.00 0.00 H new ATOM 0 HG21 ILE A 82 2.828 -5.618 0.353 1.00 0.00 H new ATOM 0 HG22 ILE A 82 1.066 -5.618 0.099 1.00 0.00 H new ATOM 0 HG23 ILE A 82 1.877 -7.080 0.710 1.00 0.00 H new ATOM 0 HD11 ILE A 82 5.575 -7.403 -1.158 1.00 0.00 H new ATOM 0 HD12 ILE A 82 4.823 -5.879 -1.686 1.00 0.00 H new ATOM 0 HD13 ILE A 82 4.594 -6.453 -0.017 1.00 0.00 H new ATOM 1364 N LEU A 83 -0.952 -6.172 -2.401 1.00 0.00 N ATOM 1365 CA LEU A 83 -2.217 -5.525 -2.086 1.00 0.00 C ATOM 1366 C LEU A 83 -2.902 -4.959 -3.325 1.00 0.00 C ATOM 1367 O LEU A 83 -3.136 -3.762 -3.397 1.00 0.00 O ATOM 1368 CB LEU A 83 -1.971 -4.394 -1.081 1.00 0.00 C ATOM 1369 CG LEU A 83 -3.070 -4.161 -0.033 1.00 0.00 C ATOM 1370 CD1 LEU A 83 -3.572 -2.729 -0.102 1.00 0.00 C ATOM 1371 CD2 LEU A 83 -4.221 -5.145 -0.203 1.00 0.00 C ATOM 0 H LEU A 83 -0.608 -6.018 -3.349 1.00 0.00 H new ATOM 0 HA LEU A 83 -2.877 -6.281 -1.661 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -1.037 -4.599 -0.557 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.827 -3.468 -1.637 1.00 0.00 H new ATOM 0 HG LEU A 83 -2.635 -4.332 0.952 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -4.350 -2.580 0.647 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -2.746 -2.044 0.091 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -3.980 -2.534 -1.094 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -4.980 -4.951 0.555 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -4.659 -5.025 -1.194 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -3.849 -6.163 -0.091 1.00 0.00 H new ATOM 1383 N LEU A 84 -3.220 -5.794 -4.310 1.00 0.00 N ATOM 1384 CA LEU A 84 -3.865 -5.284 -5.516 1.00 0.00 C ATOM 1385 C LEU A 84 -5.219 -4.594 -5.191 1.00 0.00 C ATOM 1386 O LEU A 84 -5.336 -3.371 -5.274 1.00 0.00 O ATOM 1387 CB LEU A 84 -4.004 -6.420 -6.562 1.00 0.00 C ATOM 1388 CG LEU A 84 -4.603 -6.018 -7.911 1.00 0.00 C ATOM 1389 CD1 LEU A 84 -4.970 -4.561 -7.880 1.00 0.00 C ATOM 1390 CD2 LEU A 84 -3.641 -6.304 -9.056 1.00 0.00 C ATOM 0 H LEU A 84 -3.048 -6.799 -4.301 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.235 -4.510 -5.954 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.017 -6.848 -6.738 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.622 -7.209 -6.133 1.00 0.00 H new ATOM 0 HG LEU A 84 -5.499 -6.615 -8.084 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -5.397 -4.273 -8.841 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -5.701 -4.387 -7.091 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -4.078 -3.965 -7.686 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -4.099 -6.006 -9.999 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.720 -5.741 -8.906 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.415 -7.370 -9.083 1.00 0.00 H new ATOM 1402 N PRO A 85 -6.246 -5.378 -4.842 1.00 0.00 N ATOM 1403 CA PRO A 85 -7.611 -4.928 -4.520 1.00 0.00 C ATOM 1404 C PRO A 85 -7.721 -3.620 -3.724 1.00 0.00 C ATOM 1405 O PRO A 85 -8.228 -2.626 -4.242 1.00 0.00 O ATOM 1406 CB PRO A 85 -8.150 -6.102 -3.666 1.00 0.00 C ATOM 1407 CG PRO A 85 -7.002 -7.060 -3.543 1.00 0.00 C ATOM 1408 CD PRO A 85 -6.179 -6.809 -4.758 1.00 0.00 C ATOM 0 HA PRO A 85 -8.156 -4.700 -5.436 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -8.481 -5.757 -2.687 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -9.008 -6.575 -4.144 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -6.431 -6.881 -2.632 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -7.349 -8.093 -3.504 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -5.156 -7.168 -4.645 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -6.591 -7.294 -5.643 1.00 0.00 H new ATOM 1416 N TYR A 86 -7.294 -3.630 -2.458 1.00 0.00 N ATOM 1417 CA TYR A 86 -7.403 -2.442 -1.598 1.00 0.00 C ATOM 1418 C TYR A 86 -7.078 -1.153 -2.346 1.00 0.00 C ATOM 1419 O TYR A 86 -7.968 -0.369 -2.674 1.00 0.00 O ATOM 1420 CB TYR A 86 -6.497 -2.580 -0.374 1.00 0.00 C ATOM 1421 CG TYR A 86 -7.249 -2.702 0.937 1.00 0.00 C ATOM 1422 CD1 TYR A 86 -8.434 -2.007 1.154 1.00 0.00 C ATOM 1423 CD2 TYR A 86 -6.773 -3.516 1.958 1.00 0.00 C ATOM 1424 CE1 TYR A 86 -9.120 -2.120 2.348 1.00 0.00 C ATOM 1425 CE2 TYR A 86 -7.454 -3.636 3.153 1.00 0.00 C ATOM 1426 CZ TYR A 86 -8.628 -2.936 3.344 1.00 0.00 C ATOM 1427 OH TYR A 86 -9.312 -3.052 4.534 1.00 0.00 O ATOM 0 H TYR A 86 -6.872 -4.441 -2.006 1.00 0.00 H new ATOM 0 HA TYR A 86 -8.442 -2.379 -1.274 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -5.863 -3.457 -0.501 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -5.837 -1.714 -0.324 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -8.825 -1.368 0.376 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -5.854 -4.065 1.814 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -10.038 -1.571 2.500 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -7.070 -4.275 3.935 1.00 0.00 H new ATOM 0 HH TYR A 86 -8.832 -3.666 5.128 1.00 0.00 H new ATOM 1437 N GLU A 87 -5.800 -0.941 -2.599 1.00 0.00 N ATOM 1438 CA GLU A 87 -5.332 0.256 -3.300 1.00 0.00 C ATOM 1439 C GLU A 87 -6.133 0.511 -4.578 1.00 0.00 C ATOM 1440 O GLU A 87 -6.232 1.648 -5.037 1.00 0.00 O ATOM 1441 CB GLU A 87 -3.839 0.138 -3.639 1.00 0.00 C ATOM 1442 CG GLU A 87 -3.209 -1.180 -3.215 1.00 0.00 C ATOM 1443 CD GLU A 87 -1.862 -1.419 -3.863 1.00 0.00 C ATOM 1444 OE1 GLU A 87 -0.876 -0.780 -3.440 1.00 0.00 O ATOM 1445 OE2 GLU A 87 -1.795 -2.248 -4.792 1.00 0.00 O ATOM 0 H GLU A 87 -5.056 -1.584 -2.329 1.00 0.00 H new ATOM 0 HA GLU A 87 -5.482 1.102 -2.629 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -3.711 0.261 -4.714 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -3.302 0.956 -3.159 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -3.093 -1.191 -2.131 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -3.881 -1.999 -3.472 1.00 0.00 H new ATOM 1452 N ARG A 88 -6.694 -0.550 -5.152 1.00 0.00 N ATOM 1453 CA ARG A 88 -7.474 -0.429 -6.382 1.00 0.00 C ATOM 1454 C ARG A 88 -8.944 -0.116 -6.096 1.00 0.00 C ATOM 1455 O ARG A 88 -9.768 -0.093 -7.011 1.00 0.00 O ATOM 1456 CB ARG A 88 -7.371 -1.718 -7.199 1.00 0.00 C ATOM 1457 CG ARG A 88 -7.386 -1.489 -8.702 1.00 0.00 C ATOM 1458 CD ARG A 88 -8.618 -2.102 -9.349 1.00 0.00 C ATOM 1459 NE ARG A 88 -8.496 -3.551 -9.493 1.00 0.00 N ATOM 1460 CZ ARG A 88 -9.241 -4.279 -10.323 1.00 0.00 C ATOM 1461 NH1 ARG A 88 -10.160 -3.697 -11.084 1.00 0.00 N ATOM 1462 NH2 ARG A 88 -9.067 -5.591 -10.391 1.00 0.00 N ATOM 0 H ARG A 88 -6.624 -1.500 -4.787 1.00 0.00 H new ATOM 0 HA ARG A 88 -7.059 0.402 -6.952 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -6.452 -2.237 -6.928 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -8.199 -2.375 -6.932 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -7.360 -0.419 -8.908 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -6.489 -1.920 -9.145 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -9.497 -1.870 -8.748 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -8.775 -1.652 -10.329 1.00 0.00 H new ATOM 0 HE ARG A 88 -7.800 -4.033 -8.925 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -10.298 -2.688 -11.035 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -10.728 -4.259 -11.718 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -8.363 -6.043 -9.808 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -9.637 -6.149 -11.027 1.00 0.00 H new ATOM 1476 N HIS A 89 -9.274 0.115 -4.828 1.00 0.00 N ATOM 1477 CA HIS A 89 -10.649 0.412 -4.439 1.00 0.00 C ATOM 1478 C HIS A 89 -10.939 1.914 -4.461 1.00 0.00 C ATOM 1479 O HIS A 89 -11.662 2.403 -5.328 1.00 0.00 O ATOM 1480 CB HIS A 89 -10.938 -0.155 -3.048 1.00 0.00 C ATOM 1481 CG HIS A 89 -12.373 -0.032 -2.639 1.00 0.00 C ATOM 1482 ND1 HIS A 89 -12.880 1.075 -1.990 1.00 0.00 N ATOM 1483 CD2 HIS A 89 -13.414 -0.885 -2.790 1.00 0.00 C ATOM 1484 CE1 HIS A 89 -14.169 0.897 -1.760 1.00 0.00 C ATOM 1485 NE2 HIS A 89 -14.517 -0.284 -2.236 1.00 0.00 N ATOM 0 H HIS A 89 -8.610 0.102 -4.054 1.00 0.00 H new ATOM 0 HA HIS A 89 -11.304 -0.062 -5.170 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -10.651 -1.206 -3.026 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -10.315 0.361 -2.317 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -13.382 -1.857 -3.259 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -14.826 1.598 -1.267 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -15.454 -0.685 -2.198 1.00 0.00 H new ATOM 1494 N MET A 90 -10.386 2.635 -3.487 1.00 0.00 N ATOM 1495 CA MET A 90 -10.600 4.079 -3.371 1.00 0.00 C ATOM 1496 C MET A 90 -10.358 4.813 -4.690 1.00 0.00 C ATOM 1497 O MET A 90 -10.873 5.913 -4.895 1.00 0.00 O ATOM 1498 CB MET A 90 -9.706 4.664 -2.274 1.00 0.00 C ATOM 1499 CG MET A 90 -8.235 4.746 -2.654 1.00 0.00 C ATOM 1500 SD MET A 90 -7.163 3.918 -1.465 1.00 0.00 S ATOM 1501 CE MET A 90 -7.561 2.206 -1.803 1.00 0.00 C ATOM 0 H MET A 90 -9.784 2.242 -2.764 1.00 0.00 H new ATOM 0 HA MET A 90 -11.647 4.225 -3.105 1.00 0.00 H new ATOM 0 HB2 MET A 90 -10.062 5.663 -2.023 1.00 0.00 H new ATOM 0 HB3 MET A 90 -9.805 4.055 -1.375 1.00 0.00 H new ATOM 0 HG2 MET A 90 -8.093 4.299 -3.638 1.00 0.00 H new ATOM 0 HG3 MET A 90 -7.942 5.793 -2.734 1.00 0.00 H new ATOM 0 HE1 MET A 90 -6.847 1.559 -1.293 1.00 0.00 H new ATOM 0 HE2 MET A 90 -8.567 1.989 -1.445 1.00 0.00 H new ATOM 0 HE3 MET A 90 -7.511 2.026 -2.877 1.00 0.00 H new ATOM 1511 N ILE A 91 -9.572 4.215 -5.579 1.00 0.00 N ATOM 1512 CA ILE A 91 -9.275 4.843 -6.866 1.00 0.00 C ATOM 1513 C ILE A 91 -10.555 5.220 -7.604 1.00 0.00 C ATOM 1514 O ILE A 91 -10.872 6.400 -7.753 1.00 0.00 O ATOM 1515 CB ILE A 91 -8.429 3.935 -7.781 1.00 0.00 C ATOM 1516 CG1 ILE A 91 -7.381 3.177 -6.965 1.00 0.00 C ATOM 1517 CG2 ILE A 91 -7.769 4.766 -8.873 1.00 0.00 C ATOM 1518 CD1 ILE A 91 -6.316 2.505 -7.807 1.00 0.00 C ATOM 0 H ILE A 91 -9.132 3.306 -5.437 1.00 0.00 H new ATOM 0 HA ILE A 91 -8.700 5.740 -6.636 1.00 0.00 H new ATOM 0 HB ILE A 91 -9.084 3.201 -8.252 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -6.901 3.871 -6.275 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -7.882 2.422 -6.360 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -7.173 4.117 -9.515 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -8.537 5.260 -9.469 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -7.124 5.518 -8.418 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -5.610 1.989 -7.157 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -6.784 1.785 -8.479 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -5.787 3.257 -8.392 1.00 0.00 H new ATOM 1530 N SER A 92 -11.287 4.211 -8.062 1.00 0.00 N ATOM 1531 CA SER A 92 -12.533 4.437 -8.783 1.00 0.00 C ATOM 1532 C SER A 92 -13.642 4.873 -7.830 1.00 0.00 C ATOM 1533 O SER A 92 -14.627 5.481 -8.247 1.00 0.00 O ATOM 1534 CB SER A 92 -12.954 3.170 -9.529 1.00 0.00 C ATOM 1535 OG SER A 92 -12.240 3.034 -10.746 1.00 0.00 O ATOM 0 H SER A 92 -11.039 3.228 -7.947 1.00 0.00 H new ATOM 0 HA SER A 92 -12.365 5.235 -9.506 1.00 0.00 H new ATOM 0 HB2 SER A 92 -12.776 2.298 -8.900 1.00 0.00 H new ATOM 0 HB3 SER A 92 -14.024 3.203 -9.733 1.00 0.00 H new ATOM 0 HG SER A 92 -12.526 2.216 -11.203 1.00 0.00 H new ATOM 1541 N GLN A 93 -13.476 4.560 -6.548 1.00 0.00 N ATOM 1542 CA GLN A 93 -14.468 4.925 -5.541 1.00 0.00 C ATOM 1543 C GLN A 93 -13.798 5.272 -4.218 1.00 0.00 C ATOM 1544 O GLN A 93 -13.754 4.455 -3.300 1.00 0.00 O ATOM 1545 CB GLN A 93 -15.474 3.788 -5.338 1.00 0.00 C ATOM 1546 CG GLN A 93 -14.839 2.407 -5.281 1.00 0.00 C ATOM 1547 CD GLN A 93 -15.595 1.383 -6.105 1.00 0.00 C ATOM 1548 OE1 GLN A 93 -15.913 0.295 -5.625 1.00 0.00 O ATOM 1549 NE2 GLN A 93 -15.886 1.728 -7.354 1.00 0.00 N ATOM 0 H GLN A 93 -12.668 4.057 -6.183 1.00 0.00 H new ATOM 0 HA GLN A 93 -15.001 5.806 -5.900 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -16.024 3.963 -4.413 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -16.201 3.810 -6.150 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -13.811 2.469 -5.639 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -14.796 2.073 -4.244 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -15.603 2.641 -7.710 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -16.393 1.080 -7.957 1.00 0.00 H new ATOM 1558 N GLU A 94 -13.278 6.496 -4.132 1.00 0.00 N ATOM 1559 CA GLU A 94 -12.603 6.970 -2.925 1.00 0.00 C ATOM 1560 C GLU A 94 -13.377 6.593 -1.669 1.00 0.00 C ATOM 1561 O GLU A 94 -12.792 6.394 -0.604 1.00 0.00 O ATOM 1562 CB GLU A 94 -12.418 8.487 -2.983 1.00 0.00 C ATOM 1563 CG GLU A 94 -11.182 8.919 -3.756 1.00 0.00 C ATOM 1564 CD GLU A 94 -11.504 9.881 -4.883 1.00 0.00 C ATOM 1565 OE1 GLU A 94 -12.498 9.643 -5.601 1.00 0.00 O ATOM 1566 OE2 GLU A 94 -10.762 10.872 -5.047 1.00 0.00 O ATOM 0 H GLU A 94 -13.312 7.180 -4.888 1.00 0.00 H new ATOM 0 HA GLU A 94 -11.627 6.487 -2.880 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -13.299 8.935 -3.443 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -12.356 8.876 -1.967 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -10.477 9.390 -3.072 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -10.688 8.038 -4.166 1.00 0.00 H new ATOM 1573 N GLY A 95 -14.693 6.501 -1.797 1.00 0.00 N ATOM 1574 CA GLY A 95 -15.518 6.154 -0.658 1.00 0.00 C ATOM 1575 C GLY A 95 -15.485 7.230 0.401 1.00 0.00 C ATOM 1576 O GLY A 95 -15.292 6.950 1.583 1.00 0.00 O ATOM 0 H GLY A 95 -15.203 6.660 -2.666 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -16.545 5.997 -0.987 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -15.173 5.212 -0.231 1.00 0.00 H new ATOM 1580 N ILE A 96 -15.669 8.469 -0.035 1.00 0.00 N ATOM 1581 CA ILE A 96 -15.657 9.615 0.864 1.00 0.00 C ATOM 1582 C ILE A 96 -17.002 9.800 1.565 1.00 0.00 C ATOM 1583 O ILE A 96 -17.305 10.878 2.077 1.00 0.00 O ATOM 1584 CB ILE A 96 -15.298 10.903 0.102 1.00 0.00 C ATOM 1585 CG1 ILE A 96 -14.028 10.694 -0.725 1.00 0.00 C ATOM 1586 CG2 ILE A 96 -15.122 12.065 1.068 1.00 0.00 C ATOM 1587 CD1 ILE A 96 -13.834 11.733 -1.807 1.00 0.00 C ATOM 0 H ILE A 96 -15.830 8.707 -1.014 1.00 0.00 H new ATOM 0 HA ILE A 96 -14.898 9.417 1.621 1.00 0.00 H new ATOM 0 HB ILE A 96 -16.117 11.144 -0.576 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -13.165 10.708 -0.060 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -14.061 9.706 -1.183 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -14.869 12.967 0.510 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -16.050 12.226 1.616 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -14.321 11.836 1.771 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -12.914 11.522 -2.353 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -14.679 11.704 -2.495 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -13.769 12.722 -1.354 1.00 0.00 H new ATOM 1599 N LYS A 97 -17.800 8.742 1.593 1.00 0.00 N ATOM 1600 CA LYS A 97 -19.106 8.784 2.240 1.00 0.00 C ATOM 1601 C LYS A 97 -19.367 7.508 3.032 1.00 0.00 C ATOM 1602 O LYS A 97 -20.496 7.234 3.440 1.00 0.00 O ATOM 1603 CB LYS A 97 -20.205 8.983 1.201 1.00 0.00 C ATOM 1604 CG LYS A 97 -20.283 10.401 0.658 1.00 0.00 C ATOM 1605 CD LYS A 97 -21.666 10.713 0.112 1.00 0.00 C ATOM 1606 CE LYS A 97 -21.810 10.263 -1.332 1.00 0.00 C ATOM 1607 NZ LYS A 97 -23.238 10.115 -1.729 1.00 0.00 N ATOM 0 H LYS A 97 -17.566 7.842 1.175 1.00 0.00 H new ATOM 0 HA LYS A 97 -19.111 9.626 2.933 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -20.038 8.295 0.372 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -21.165 8.720 1.645 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -20.035 11.109 1.449 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -19.542 10.531 -0.130 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -22.420 10.219 0.725 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -21.852 11.785 0.180 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -21.324 10.986 -1.987 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -21.295 9.312 -1.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -23.292 9.807 -2.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -23.696 9.407 -1.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -23.724 11.028 -1.623 1.00 0.00 H new ATOM 1621 N GLU A 98 -18.314 6.733 3.239 1.00 0.00 N ATOM 1622 CA GLU A 98 -18.412 5.477 3.978 1.00 0.00 C ATOM 1623 C GLU A 98 -17.051 5.030 4.516 1.00 0.00 C ATOM 1624 O GLU A 98 -16.904 3.901 4.984 1.00 0.00 O ATOM 1625 CB GLU A 98 -18.983 4.387 3.076 1.00 0.00 C ATOM 1626 CG GLU A 98 -20.471 4.537 2.802 1.00 0.00 C ATOM 1627 CD GLU A 98 -21.064 3.320 2.118 1.00 0.00 C ATOM 1628 OE1 GLU A 98 -20.565 2.201 2.360 1.00 0.00 O ATOM 1629 OE2 GLU A 98 -22.027 3.487 1.341 1.00 0.00 O ATOM 0 H GLU A 98 -17.375 6.951 2.905 1.00 0.00 H new ATOM 0 HA GLU A 98 -19.075 5.644 4.827 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -18.446 4.394 2.128 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -18.804 3.416 3.537 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -20.994 4.711 3.742 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -20.635 5.416 2.178 1.00 0.00 H new ATOM 1636 N THR A 99 -16.058 5.913 4.446 1.00 0.00 N ATOM 1637 CA THR A 99 -14.718 5.592 4.926 1.00 0.00 C ATOM 1638 C THR A 99 -14.574 5.922 6.409 1.00 0.00 C ATOM 1639 O THR A 99 -13.715 6.711 6.801 1.00 0.00 O ATOM 1640 CB THR A 99 -13.664 6.352 4.117 1.00 0.00 C ATOM 1641 OG1 THR A 99 -14.139 7.637 3.752 1.00 0.00 O ATOM 1642 CG2 THR A 99 -13.249 5.634 2.850 1.00 0.00 C ATOM 0 H THR A 99 -16.156 6.853 4.063 1.00 0.00 H new ATOM 0 HA THR A 99 -14.563 4.521 4.795 1.00 0.00 H new ATOM 0 HB THR A 99 -12.796 6.426 4.772 1.00 0.00 H new ATOM 0 HG1 THR A 99 -14.643 7.574 2.914 1.00 0.00 H new ATOM 0 HG21 THR A 99 -12.500 6.227 2.325 1.00 0.00 H new ATOM 0 HG22 THR A 99 -12.829 4.661 3.104 1.00 0.00 H new ATOM 0 HG23 THR A 99 -14.119 5.497 2.208 1.00 0.00 H new ATOM 1650 N GLN A 100 -15.420 5.309 7.230 1.00 0.00 N ATOM 1651 CA GLN A 100 -15.384 5.536 8.669 1.00 0.00 C ATOM 1652 C GLN A 100 -14.274 4.716 9.319 1.00 0.00 C ATOM 1653 O GLN A 100 -14.025 3.574 8.933 1.00 0.00 O ATOM 1654 CB GLN A 100 -16.735 5.182 9.297 1.00 0.00 C ATOM 1655 CG GLN A 100 -17.569 6.398 9.666 1.00 0.00 C ATOM 1656 CD GLN A 100 -18.874 6.027 10.343 1.00 0.00 C ATOM 1657 OE1 GLN A 100 -18.910 5.157 11.213 1.00 0.00 O ATOM 1658 NE2 GLN A 100 -19.956 6.686 9.944 1.00 0.00 N ATOM 0 H GLN A 100 -16.138 4.652 6.924 1.00 0.00 H new ATOM 0 HA GLN A 100 -15.179 6.593 8.842 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -17.299 4.562 8.600 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -16.565 4.583 10.191 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -16.991 7.043 10.328 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -17.782 6.974 8.766 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -19.880 7.400 9.219 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -20.863 6.478 10.362 1.00 0.00 H new ATOM 1667 N ALA A 101 -13.608 5.308 10.305 1.00 0.00 N ATOM 1668 CA ALA A 101 -12.522 4.633 11.007 1.00 0.00 C ATOM 1669 C ALA A 101 -13.047 3.734 12.126 1.00 0.00 C ATOM 1670 O ALA A 101 -12.267 3.125 12.858 1.00 0.00 O ATOM 1671 CB ALA A 101 -11.543 5.654 11.565 1.00 0.00 C ATOM 0 H ALA A 101 -13.801 6.253 10.636 1.00 0.00 H new ATOM 0 HA ALA A 101 -12.005 3.998 10.288 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -10.737 5.138 12.087 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -11.127 6.244 10.748 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -12.062 6.313 12.261 1.00 0.00 H new ATOM 1677 N LYS A 102 -14.369 3.651 12.256 1.00 0.00 N ATOM 1678 CA LYS A 102 -14.983 2.823 13.287 1.00 0.00 C ATOM 1679 C LYS A 102 -14.560 3.285 14.678 1.00 0.00 C ATOM 1680 O LYS A 102 -14.436 2.476 15.597 1.00 0.00 O ATOM 1681 CB LYS A 102 -14.603 1.354 13.082 1.00 0.00 C ATOM 1682 CG LYS A 102 -15.803 0.429 12.947 1.00 0.00 C ATOM 1683 CD LYS A 102 -15.672 -0.485 11.739 1.00 0.00 C ATOM 1684 CE LYS A 102 -17.018 -1.057 11.324 1.00 0.00 C ATOM 1685 NZ LYS A 102 -16.906 -2.470 10.870 1.00 0.00 N ATOM 0 H LYS A 102 -15.033 4.146 11.661 1.00 0.00 H new ATOM 0 HA LYS A 102 -16.065 2.924 13.206 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -13.986 1.268 12.188 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -13.993 1.024 13.923 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -15.903 -0.173 13.850 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -16.713 1.023 12.858 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -15.239 0.070 10.907 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -14.985 -1.299 11.970 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -17.711 -1.000 12.163 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -17.438 -0.450 10.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -17.845 -2.822 10.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -16.265 -2.522 10.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -16.529 -3.054 11.643 1.00 0.00 H new ATOM 1699 N ARG A 103 -14.340 4.594 14.818 1.00 0.00 N ATOM 1700 CA ARG A 103 -13.928 5.195 16.090 1.00 0.00 C ATOM 1701 C ARG A 103 -12.997 4.276 16.881 1.00 0.00 C ATOM 1702 O ARG A 103 -13.088 4.187 18.105 1.00 0.00 O ATOM 1703 CB ARG A 103 -15.158 5.562 16.932 1.00 0.00 C ATOM 1704 CG ARG A 103 -15.838 4.372 17.596 1.00 0.00 C ATOM 1705 CD ARG A 103 -17.331 4.345 17.303 1.00 0.00 C ATOM 1706 NE ARG A 103 -17.642 3.565 16.108 1.00 0.00 N ATOM 1707 CZ ARG A 103 -18.872 3.189 15.767 1.00 0.00 C ATOM 1708 NH1 ARG A 103 -19.909 3.517 16.528 1.00 0.00 N ATOM 1709 NH2 ARG A 103 -19.066 2.483 14.661 1.00 0.00 N ATOM 0 H ARG A 103 -14.442 5.265 14.057 1.00 0.00 H new ATOM 0 HA ARG A 103 -13.371 6.103 15.857 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -14.858 6.271 17.703 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -15.882 6.071 16.295 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -15.381 3.448 17.243 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -15.679 4.416 18.673 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -17.860 3.924 18.158 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -17.693 5.365 17.174 1.00 0.00 H new ATOM 0 HE ARG A 103 -16.871 3.292 15.499 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -19.765 4.060 17.379 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -20.850 3.226 16.261 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -18.273 2.229 14.073 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -20.009 2.194 14.399 1.00 0.00 H new ATOM 1723 N ILE A 104 -12.104 3.595 16.170 1.00 0.00 N ATOM 1724 CA ILE A 104 -11.157 2.684 16.803 1.00 0.00 C ATOM 1725 C ILE A 104 -10.133 3.449 17.634 1.00 0.00 C ATOM 1726 O ILE A 104 -9.296 4.172 17.095 1.00 0.00 O ATOM 1727 CB ILE A 104 -10.416 1.828 15.758 1.00 0.00 C ATOM 1728 CG1 ILE A 104 -9.759 2.722 14.702 1.00 0.00 C ATOM 1729 CG2 ILE A 104 -11.375 0.842 15.106 1.00 0.00 C ATOM 1730 CD1 ILE A 104 -8.247 2.703 14.752 1.00 0.00 C ATOM 0 H ILE A 104 -12.016 3.657 15.156 1.00 0.00 H new ATOM 0 HA ILE A 104 -11.735 2.028 17.454 1.00 0.00 H new ATOM 0 HB ILE A 104 -9.632 1.263 16.263 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -10.086 2.403 13.712 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -10.106 3.746 14.837 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -10.837 0.244 14.370 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -11.797 0.186 15.868 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -12.179 1.388 14.612 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -7.849 3.358 13.977 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -7.911 3.051 15.729 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -7.890 1.686 14.586 1.00 0.00 H new TER 1742 ILE A 104