USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 666 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 16 GLN : amide:sc= -1.18 K(o=-4.5,f=-3.5) USER MOD Set 1.2: A 81 MET CE :methyl 148:sc= -3.33! (180deg=-5.83!) USER MOD Set 2.1: A 45 MET CE :methyl 179:sc= -0.319 (180deg=-0.111) USER MOD Set 2.2: A 80 MET CE :methyl 152:sc= -0.278 (180deg=-1.27) USER MOD Set 3.1: A 35 CYS SG : rot 31:sc= -0.11 USER MOD Set 3.2: A 69 SER OG : rot -89:sc= 1.73 USER MOD Set 3.3: A 71 THR OG1 : rot -60:sc= 0.887 USER MOD Set 4.1: A 18 ASN : amide:sc= 0.906 K(o=1.5,f=-0.25) USER MOD Set 4.2: A 21 LYS NZ :NH3+ -117:sc= 0.63 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -0.102 X(o=-0.1,f=-0.1) USER MOD Single : A 5 TYR OH : rot -56:sc= -0.297 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= 0.395 X(o=0.4,f=-0.00047) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.105 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.0028 X(o=-0.0028,f=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 150:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.0156) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl -157:sc= -0.737 (180deg=-1.08) USER MOD Single : A 50 GLN : amide:sc= -0.141 X(o=-0.14,f=-0.53) USER MOD Single : A 51 ASN : amide:sc=-0.00351 X(o=-0.0035,f=-0.11) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.255 USER MOD Single : A 58 GLN : amide:sc= -0.533 X(o=-0.53,f=-0.2) USER MOD Single : A 60 MET CE :methyl -148:sc= -0.187 (180deg=-1.86!) USER MOD Single : A 84 CYS SG : rot -48:sc= 0.952 USER MOD Single : A 85 MET CE :methyl 166:sc= 0 (180deg=-0.177) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= -0.103 (180deg=-0.103) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.243 13.104 8.437 1.00 0.00 N ATOM 2 CA MET A 1 -7.049 12.313 7.460 1.00 0.00 C ATOM 3 C MET A 1 -6.156 11.277 6.774 1.00 0.00 C ATOM 4 O MET A 1 -5.154 11.621 6.143 1.00 0.00 O ATOM 5 CB MET A 1 -7.646 13.250 6.402 1.00 0.00 C ATOM 6 CG MET A 1 -8.934 13.881 6.939 1.00 0.00 C ATOM 7 SD MET A 1 -9.373 15.312 5.921 1.00 0.00 S ATOM 8 CE MET A 1 -11.050 15.548 6.561 1.00 0.00 C ATOM 0 H1 MET A 1 -6.853 13.807 8.901 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.842 12.466 9.154 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.472 13.591 7.937 1.00 0.00 H new ATOM 0 HA MET A 1 -7.854 11.805 7.990 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.928 14.029 6.145 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.855 12.695 5.487 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.743 13.150 6.926 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.797 14.187 7.976 1.00 0.00 H new ATOM 0 HE1 MET A 1 -11.515 16.397 6.060 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.640 14.650 6.376 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.007 15.739 7.633 1.00 0.00 H new ATOM 20 N ASN A 2 -6.534 10.003 6.910 1.00 0.00 N ATOM 21 CA ASN A 2 -5.767 8.910 6.300 1.00 0.00 C ATOM 22 C ASN A 2 -6.568 8.221 5.185 1.00 0.00 C ATOM 23 O ASN A 2 -6.261 7.091 4.797 1.00 0.00 O ATOM 24 CB ASN A 2 -5.384 7.869 7.365 1.00 0.00 C ATOM 25 CG ASN A 2 -6.641 7.344 8.061 1.00 0.00 C ATOM 26 OD1 ASN A 2 -7.080 7.903 9.066 1.00 0.00 O ATOM 27 ND2 ASN A 2 -7.251 6.293 7.582 1.00 0.00 N ATOM 0 H ASN A 2 -7.358 9.703 7.431 1.00 0.00 H new ATOM 0 HA ASN A 2 -4.865 9.342 5.866 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -4.844 7.044 6.901 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -4.713 8.317 8.098 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -8.090 5.937 8.041 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -6.889 5.828 6.749 1.00 0.00 H new ATOM 34 N ASP A 3 -7.590 8.912 4.665 1.00 0.00 N ATOM 35 CA ASP A 3 -8.415 8.353 3.591 1.00 0.00 C ATOM 36 C ASP A 3 -8.137 9.067 2.262 1.00 0.00 C ATOM 37 O ASP A 3 -9.021 9.188 1.411 1.00 0.00 O ATOM 38 CB ASP A 3 -9.903 8.483 3.939 1.00 0.00 C ATOM 39 CG ASP A 3 -10.221 7.628 5.165 1.00 0.00 C ATOM 40 OD1 ASP A 3 -10.039 8.118 6.268 1.00 0.00 O ATOM 41 OD2 ASP A 3 -10.640 6.497 4.982 1.00 0.00 O ATOM 0 H ASP A 3 -7.862 9.848 4.967 1.00 0.00 H new ATOM 0 HA ASP A 3 -8.159 7.299 3.485 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -10.151 9.526 4.137 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -10.513 8.165 3.094 1.00 0.00 H new ATOM 46 N ILE A 4 -6.894 9.533 2.094 1.00 0.00 N ATOM 47 CA ILE A 4 -6.501 10.233 0.863 1.00 0.00 C ATOM 48 C ILE A 4 -6.158 9.236 -0.250 1.00 0.00 C ATOM 49 O ILE A 4 -6.251 9.562 -1.433 1.00 0.00 O ATOM 50 CB ILE A 4 -5.291 11.150 1.111 1.00 0.00 C ATOM 51 CG1 ILE A 4 -4.092 10.328 1.612 1.00 0.00 C ATOM 52 CG2 ILE A 4 -5.656 12.206 2.158 1.00 0.00 C ATOM 53 CD1 ILE A 4 -3.246 9.871 0.420 1.00 0.00 C ATOM 0 H ILE A 4 -6.150 9.440 2.785 1.00 0.00 H new ATOM 0 HA ILE A 4 -7.351 10.840 0.551 1.00 0.00 H new ATOM 0 HB ILE A 4 -5.020 11.637 0.174 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -3.486 10.927 2.292 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -4.442 9.463 2.175 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -4.799 12.856 2.334 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -6.495 12.801 1.797 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -5.935 11.714 3.090 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -2.397 9.289 0.778 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -3.854 9.256 -0.243 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -2.884 10.743 -0.125 1.00 0.00 H new ATOM 65 N TYR A 5 -5.764 8.021 0.142 1.00 0.00 N ATOM 66 CA TYR A 5 -5.414 6.980 -0.831 1.00 0.00 C ATOM 67 C TYR A 5 -6.652 6.557 -1.626 1.00 0.00 C ATOM 68 O TYR A 5 -6.558 6.195 -2.801 1.00 0.00 O ATOM 69 CB TYR A 5 -4.829 5.750 -0.125 1.00 0.00 C ATOM 70 CG TYR A 5 -3.680 6.179 0.759 1.00 0.00 C ATOM 71 CD1 TYR A 5 -2.399 6.341 0.215 1.00 0.00 C ATOM 72 CD2 TYR A 5 -3.899 6.426 2.120 1.00 0.00 C ATOM 73 CE1 TYR A 5 -1.342 6.751 1.032 1.00 0.00 C ATOM 74 CE2 TYR A 5 -2.840 6.833 2.936 1.00 0.00 C ATOM 75 CZ TYR A 5 -1.562 6.997 2.394 1.00 0.00 C ATOM 76 OH TYR A 5 -0.522 7.406 3.201 1.00 0.00 O ATOM 0 H TYR A 5 -5.680 7.735 1.117 1.00 0.00 H new ATOM 0 HA TYR A 5 -4.667 7.393 -1.509 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -5.598 5.259 0.472 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -4.485 5.024 -0.861 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -2.229 6.149 -0.834 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -4.887 6.302 2.539 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -0.355 6.878 0.613 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -3.009 7.021 3.986 1.00 0.00 H new ATOM 0 HH TYR A 5 0.208 6.754 3.150 1.00 0.00 H new ATOM 86 N LYS A 6 -7.813 6.614 -0.965 1.00 0.00 N ATOM 87 CA LYS A 6 -9.080 6.242 -1.599 1.00 0.00 C ATOM 88 C LYS A 6 -9.782 7.476 -2.177 1.00 0.00 C ATOM 89 O LYS A 6 -10.451 7.395 -3.209 1.00 0.00 O ATOM 90 CB LYS A 6 -10.012 5.575 -0.581 1.00 0.00 C ATOM 91 CG LYS A 6 -9.493 4.170 -0.246 1.00 0.00 C ATOM 92 CD LYS A 6 -8.629 4.224 1.020 1.00 0.00 C ATOM 93 CE LYS A 6 -9.529 4.284 2.258 1.00 0.00 C ATOM 94 NZ LYS A 6 -9.677 2.917 2.837 1.00 0.00 N ATOM 0 H LYS A 6 -7.901 6.913 0.006 1.00 0.00 H new ATOM 0 HA LYS A 6 -8.855 5.543 -2.405 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -10.067 6.178 0.325 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -11.022 5.513 -0.985 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -10.331 3.489 -0.097 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -8.909 3.780 -1.080 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -7.984 3.346 1.070 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -7.977 5.097 0.990 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -9.101 4.959 2.999 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -10.507 4.684 1.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -10.288 2.960 3.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -10.104 2.285 2.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -8.742 2.552 3.108 1.00 0.00 H new ATOM 108 N ALA A 7 -9.623 8.620 -1.500 1.00 0.00 N ATOM 109 CA ALA A 7 -10.244 9.867 -1.952 1.00 0.00 C ATOM 110 C ALA A 7 -9.544 10.414 -3.201 1.00 0.00 C ATOM 111 O ALA A 7 -10.181 11.027 -4.056 1.00 0.00 O ATOM 112 CB ALA A 7 -10.184 10.924 -0.846 1.00 0.00 C ATOM 0 H ALA A 7 -9.074 8.706 -0.645 1.00 0.00 H new ATOM 0 HA ALA A 7 -11.283 9.646 -2.196 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -10.649 11.845 -1.197 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -10.716 10.561 0.033 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -9.144 11.120 -0.586 1.00 0.00 H new ATOM 118 N ALA A 8 -8.230 10.189 -3.297 1.00 0.00 N ATOM 119 CA ALA A 8 -7.458 10.670 -4.447 1.00 0.00 C ATOM 120 C ALA A 8 -7.690 9.790 -5.674 1.00 0.00 C ATOM 121 O ALA A 8 -7.867 10.294 -6.783 1.00 0.00 O ATOM 122 CB ALA A 8 -5.963 10.680 -4.124 1.00 0.00 C ATOM 0 H ALA A 8 -7.683 9.682 -2.601 1.00 0.00 H new ATOM 0 HA ALA A 8 -7.796 11.683 -4.664 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.406 11.040 -4.989 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -5.779 11.338 -3.275 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -5.637 9.669 -3.878 1.00 0.00 H new ATOM 128 N VAL A 9 -7.682 8.469 -5.465 1.00 0.00 N ATOM 129 CA VAL A 9 -7.889 7.523 -6.568 1.00 0.00 C ATOM 130 C VAL A 9 -9.294 7.672 -7.176 1.00 0.00 C ATOM 131 O VAL A 9 -9.498 7.395 -8.359 1.00 0.00 O ATOM 132 CB VAL A 9 -7.672 6.077 -6.087 1.00 0.00 C ATOM 133 CG1 VAL A 9 -8.810 5.651 -5.154 1.00 0.00 C ATOM 134 CG2 VAL A 9 -7.623 5.134 -7.293 1.00 0.00 C ATOM 0 H VAL A 9 -7.536 8.034 -4.554 1.00 0.00 H new ATOM 0 HA VAL A 9 -7.157 7.752 -7.343 1.00 0.00 H new ATOM 0 HB VAL A 9 -6.729 6.026 -5.543 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -8.644 4.626 -4.821 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -8.838 6.313 -4.289 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -9.759 5.710 -5.687 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -7.469 4.111 -6.949 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -8.563 5.195 -7.841 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.802 5.424 -7.948 1.00 0.00 H new ATOM 144 N GLU A 10 -10.259 8.109 -6.359 1.00 0.00 N ATOM 145 CA GLU A 10 -11.630 8.291 -6.836 1.00 0.00 C ATOM 146 C GLU A 10 -11.810 9.642 -7.551 1.00 0.00 C ATOM 147 O GLU A 10 -12.755 9.813 -8.325 1.00 0.00 O ATOM 148 CB GLU A 10 -12.619 8.198 -5.667 1.00 0.00 C ATOM 149 CG GLU A 10 -12.430 9.387 -4.717 1.00 0.00 C ATOM 150 CD GLU A 10 -13.664 9.547 -3.837 1.00 0.00 C ATOM 151 OE1 GLU A 10 -14.588 10.221 -4.261 1.00 0.00 O ATOM 152 OE2 GLU A 10 -13.664 8.996 -2.748 1.00 0.00 O ATOM 0 H GLU A 10 -10.117 8.340 -5.376 1.00 0.00 H new ATOM 0 HA GLU A 10 -11.832 7.495 -7.553 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -13.641 8.185 -6.046 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -12.467 7.264 -5.126 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -11.547 9.232 -4.096 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -12.260 10.299 -5.290 1.00 0.00 H new ATOM 159 N GLN A 11 -10.915 10.606 -7.275 1.00 0.00 N ATOM 160 CA GLN A 11 -11.023 11.935 -7.895 1.00 0.00 C ATOM 161 C GLN A 11 -9.815 12.273 -8.787 1.00 0.00 C ATOM 162 O GLN A 11 -9.628 13.433 -9.166 1.00 0.00 O ATOM 163 CB GLN A 11 -11.163 13.013 -6.810 1.00 0.00 C ATOM 164 CG GLN A 11 -9.823 13.222 -6.095 1.00 0.00 C ATOM 165 CD GLN A 11 -10.016 14.160 -4.908 1.00 0.00 C ATOM 166 OE1 GLN A 11 -9.536 15.293 -4.920 1.00 0.00 O ATOM 167 NE2 GLN A 11 -10.698 13.753 -3.869 1.00 0.00 N ATOM 0 H GLN A 11 -10.125 10.493 -6.640 1.00 0.00 H new ATOM 0 HA GLN A 11 -11.909 11.915 -8.529 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -11.494 13.950 -7.258 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -11.926 12.717 -6.090 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -9.428 12.265 -5.754 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -9.092 13.640 -6.787 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -11.097 12.814 -3.857 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -10.831 14.374 -3.071 1.00 0.00 H new ATOM 176 N LEU A 12 -9.002 11.266 -9.132 1.00 0.00 N ATOM 177 CA LEU A 12 -7.829 11.510 -9.987 1.00 0.00 C ATOM 178 C LEU A 12 -8.265 11.810 -11.425 1.00 0.00 C ATOM 179 O LEU A 12 -9.458 11.813 -11.740 1.00 0.00 O ATOM 180 CB LEU A 12 -6.868 10.307 -9.992 1.00 0.00 C ATOM 181 CG LEU A 12 -7.513 8.919 -9.897 1.00 0.00 C ATOM 182 CD1 LEU A 12 -8.607 8.773 -10.957 1.00 0.00 C ATOM 183 CD2 LEU A 12 -6.444 7.846 -10.124 1.00 0.00 C ATOM 0 H LEU A 12 -9.128 10.296 -8.842 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.305 12.371 -9.573 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -6.276 10.347 -10.906 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -6.175 10.420 -9.158 1.00 0.00 H new ATOM 0 HG LEU A 12 -7.955 8.799 -8.908 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -9.058 7.784 -10.880 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -9.371 9.534 -10.798 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -8.172 8.897 -11.949 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -6.900 6.858 -10.057 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -6.003 7.976 -11.112 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -5.668 7.940 -9.365 1.00 0.00 H new ATOM 195 N THR A 13 -7.285 12.065 -12.298 1.00 0.00 N ATOM 196 CA THR A 13 -7.582 12.365 -13.700 1.00 0.00 C ATOM 197 C THR A 13 -7.838 11.081 -14.482 1.00 0.00 C ATOM 198 O THR A 13 -7.491 9.983 -14.038 1.00 0.00 O ATOM 199 CB THR A 13 -6.416 13.116 -14.365 1.00 0.00 C ATOM 200 OG1 THR A 13 -5.204 12.846 -13.669 1.00 0.00 O ATOM 201 CG2 THR A 13 -6.695 14.618 -14.349 1.00 0.00 C ATOM 0 H THR A 13 -6.293 12.070 -12.062 1.00 0.00 H new ATOM 0 HA THR A 13 -8.473 12.993 -13.714 1.00 0.00 H new ATOM 0 HB THR A 13 -6.317 12.778 -15.397 1.00 0.00 H new ATOM 0 HG1 THR A 13 -4.466 13.326 -14.099 1.00 0.00 H new ATOM 0 HG21 THR A 13 -5.867 15.147 -14.821 1.00 0.00 H new ATOM 0 HG22 THR A 13 -7.615 14.823 -14.896 1.00 0.00 H new ATOM 0 HG23 THR A 13 -6.802 14.957 -13.319 1.00 0.00 H new ATOM 209 N ASP A 14 -8.425 11.237 -15.669 1.00 0.00 N ATOM 210 CA ASP A 14 -8.698 10.089 -16.533 1.00 0.00 C ATOM 211 C ASP A 14 -7.383 9.547 -17.091 1.00 0.00 C ATOM 212 O ASP A 14 -7.254 8.352 -17.360 1.00 0.00 O ATOM 213 CB ASP A 14 -9.611 10.490 -17.696 1.00 0.00 C ATOM 214 CG ASP A 14 -10.109 9.236 -18.413 1.00 0.00 C ATOM 215 OD1 ASP A 14 -10.963 8.560 -17.862 1.00 0.00 O ATOM 216 OD2 ASP A 14 -9.630 8.972 -19.503 1.00 0.00 O ATOM 0 H ASP A 14 -8.718 12.136 -16.051 1.00 0.00 H new ATOM 0 HA ASP A 14 -9.198 9.322 -15.942 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -10.457 11.069 -17.325 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -9.069 11.129 -18.393 1.00 0.00 H new ATOM 221 N GLU A 15 -6.406 10.450 -17.247 1.00 0.00 N ATOM 222 CA GLU A 15 -5.089 10.072 -17.760 1.00 0.00 C ATOM 223 C GLU A 15 -4.365 9.153 -16.771 1.00 0.00 C ATOM 224 O GLU A 15 -3.587 8.288 -17.173 1.00 0.00 O ATOM 225 CB GLU A 15 -4.236 11.324 -18.028 1.00 0.00 C ATOM 226 CG GLU A 15 -3.811 11.991 -16.711 1.00 0.00 C ATOM 227 CD GLU A 15 -2.322 11.746 -16.463 1.00 0.00 C ATOM 228 OE1 GLU A 15 -1.995 10.739 -15.858 1.00 0.00 O ATOM 229 OE2 GLU A 15 -1.530 12.573 -16.883 1.00 0.00 O ATOM 0 H GLU A 15 -6.505 11.441 -17.026 1.00 0.00 H new ATOM 0 HA GLU A 15 -5.234 9.534 -18.697 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -3.352 11.050 -18.603 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.803 12.032 -18.633 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.010 13.062 -16.754 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -4.397 11.591 -15.884 1.00 0.00 H new ATOM 236 N GLN A 16 -4.639 9.350 -15.477 1.00 0.00 N ATOM 237 CA GLN A 16 -4.021 8.535 -14.430 1.00 0.00 C ATOM 238 C GLN A 16 -4.655 7.146 -14.405 1.00 0.00 C ATOM 239 O GLN A 16 -3.961 6.136 -14.274 1.00 0.00 O ATOM 240 CB GLN A 16 -4.204 9.194 -13.058 1.00 0.00 C ATOM 241 CG GLN A 16 -2.994 10.083 -12.748 1.00 0.00 C ATOM 242 CD GLN A 16 -3.348 11.072 -11.640 1.00 0.00 C ATOM 243 OE1 GLN A 16 -3.121 12.274 -11.779 1.00 0.00 O ATOM 244 NE2 GLN A 16 -3.890 10.638 -10.535 1.00 0.00 N ATOM 0 H GLN A 16 -5.282 10.063 -15.132 1.00 0.00 H new ATOM 0 HA GLN A 16 -2.956 8.449 -14.648 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -5.117 9.789 -13.048 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -4.313 8.430 -12.288 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -2.148 9.468 -12.442 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -2.688 10.622 -13.645 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -4.079 9.643 -10.416 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -4.124 11.294 -9.790 1.00 0.00 H new ATOM 253 N LYS A 17 -5.984 7.112 -14.547 1.00 0.00 N ATOM 254 CA LYS A 17 -6.720 5.845 -14.557 1.00 0.00 C ATOM 255 C LYS A 17 -6.274 4.989 -15.739 1.00 0.00 C ATOM 256 O LYS A 17 -6.043 3.788 -15.598 1.00 0.00 O ATOM 257 CB LYS A 17 -8.228 6.095 -14.669 1.00 0.00 C ATOM 258 CG LYS A 17 -8.727 6.805 -13.409 1.00 0.00 C ATOM 259 CD LYS A 17 -10.010 7.579 -13.728 1.00 0.00 C ATOM 260 CE LYS A 17 -11.230 6.694 -13.453 1.00 0.00 C ATOM 261 NZ LYS A 17 -11.723 6.106 -14.732 1.00 0.00 N ATOM 0 H LYS A 17 -6.568 7.941 -14.656 1.00 0.00 H new ATOM 0 HA LYS A 17 -6.509 5.326 -13.622 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.442 6.702 -15.549 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.755 5.150 -14.798 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -8.916 6.077 -12.620 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -7.962 7.487 -13.037 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -10.061 8.483 -13.122 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.006 7.895 -14.771 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -10.965 5.900 -12.755 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -12.019 7.281 -12.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -12.551 5.506 -14.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -11.992 6.870 -15.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -10.971 5.531 -15.163 1.00 0.00 H new ATOM 275 N ASN A 18 -6.146 5.628 -16.906 1.00 0.00 N ATOM 276 CA ASN A 18 -5.718 4.924 -18.118 1.00 0.00 C ATOM 277 C ASN A 18 -4.221 4.608 -18.064 1.00 0.00 C ATOM 278 O ASN A 18 -3.766 3.632 -18.661 1.00 0.00 O ATOM 279 CB ASN A 18 -6.007 5.770 -19.362 1.00 0.00 C ATOM 280 CG ASN A 18 -7.465 5.584 -19.777 1.00 0.00 C ATOM 281 OD1 ASN A 18 -7.753 4.901 -20.760 1.00 0.00 O ATOM 282 ND2 ASN A 18 -8.411 6.155 -19.081 1.00 0.00 N ATOM 0 H ASN A 18 -6.331 6.623 -17.037 1.00 0.00 H new ATOM 0 HA ASN A 18 -6.279 3.991 -18.175 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -5.808 6.821 -19.154 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -5.345 5.476 -20.177 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -9.387 6.035 -19.352 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -8.174 6.721 -18.266 1.00 0.00 H new ATOM 289 N GLU A 19 -3.461 5.441 -17.339 1.00 0.00 N ATOM 290 CA GLU A 19 -2.015 5.239 -17.206 1.00 0.00 C ATOM 291 C GLU A 19 -1.718 3.841 -16.659 1.00 0.00 C ATOM 292 O GLU A 19 -0.888 3.112 -17.205 1.00 0.00 O ATOM 293 CB GLU A 19 -1.414 6.283 -16.256 1.00 0.00 C ATOM 294 CG GLU A 19 0.114 6.214 -16.306 1.00 0.00 C ATOM 295 CD GLU A 19 0.697 7.544 -15.836 1.00 0.00 C ATOM 296 OE1 GLU A 19 0.829 8.435 -16.661 1.00 0.00 O ATOM 297 OE2 GLU A 19 0.999 7.653 -14.659 1.00 0.00 O ATOM 0 H GLU A 19 -3.822 6.254 -16.840 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.568 5.345 -18.195 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -1.751 7.281 -16.538 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.762 6.105 -15.238 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.473 5.403 -15.673 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.446 5.997 -17.321 1.00 0.00 H new ATOM 304 N PHE A 20 -2.409 3.479 -15.574 1.00 0.00 N ATOM 305 CA PHE A 20 -2.217 2.171 -14.955 1.00 0.00 C ATOM 306 C PHE A 20 -3.064 1.107 -15.651 1.00 0.00 C ATOM 307 O PHE A 20 -2.578 0.019 -15.944 1.00 0.00 O ATOM 308 CB PHE A 20 -2.603 2.217 -13.477 1.00 0.00 C ATOM 309 CG PHE A 20 -1.488 2.845 -12.675 1.00 0.00 C ATOM 310 CD1 PHE A 20 -0.476 2.041 -12.142 1.00 0.00 C ATOM 311 CD2 PHE A 20 -1.468 4.228 -12.462 1.00 0.00 C ATOM 312 CE1 PHE A 20 0.556 2.615 -11.393 1.00 0.00 C ATOM 313 CE2 PHE A 20 -0.435 4.805 -11.714 1.00 0.00 C ATOM 314 CZ PHE A 20 0.577 3.998 -11.178 1.00 0.00 C ATOM 0 H PHE A 20 -3.100 4.070 -15.112 1.00 0.00 H new ATOM 0 HA PHE A 20 -1.163 1.913 -15.053 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -3.522 2.790 -13.350 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -2.802 1.209 -13.112 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -0.491 0.974 -12.309 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -2.249 4.850 -12.874 1.00 0.00 H new ATOM 0 HE1 PHE A 20 1.336 1.992 -10.981 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -0.418 5.872 -11.550 1.00 0.00 H new ATOM 0 HZ PHE A 20 1.373 4.443 -10.599 1.00 0.00 H new ATOM 324 N LYS A 21 -4.338 1.431 -15.906 1.00 0.00 N ATOM 325 CA LYS A 21 -5.255 0.487 -16.561 1.00 0.00 C ATOM 326 C LYS A 21 -4.662 -0.060 -17.867 1.00 0.00 C ATOM 327 O LYS A 21 -4.870 -1.225 -18.206 1.00 0.00 O ATOM 328 CB LYS A 21 -6.598 1.166 -16.852 1.00 0.00 C ATOM 329 CG LYS A 21 -7.569 0.165 -17.490 1.00 0.00 C ATOM 330 CD LYS A 21 -7.621 0.386 -19.004 1.00 0.00 C ATOM 331 CE LYS A 21 -8.674 1.448 -19.332 1.00 0.00 C ATOM 332 NZ LYS A 21 -8.438 1.978 -20.705 1.00 0.00 N ATOM 0 H LYS A 21 -4.756 2.332 -15.671 1.00 0.00 H new ATOM 0 HA LYS A 21 -5.409 -0.349 -15.879 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -7.023 1.558 -15.928 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.448 2.015 -17.520 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -7.250 -0.854 -17.273 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -8.564 0.286 -17.061 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -6.644 0.703 -19.369 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.863 -0.549 -19.510 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.673 1.017 -19.264 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -8.626 2.259 -18.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -8.211 2.992 -20.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -7.644 1.468 -21.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.294 1.845 -21.280 1.00 0.00 H new ATOM 346 N ALA A 22 -3.918 0.786 -18.591 1.00 0.00 N ATOM 347 CA ALA A 22 -3.295 0.363 -19.850 1.00 0.00 C ATOM 348 C ALA A 22 -2.312 -0.781 -19.595 1.00 0.00 C ATOM 349 O ALA A 22 -2.419 -1.853 -20.193 1.00 0.00 O ATOM 350 CB ALA A 22 -2.543 1.530 -20.497 1.00 0.00 C ATOM 0 H ALA A 22 -3.735 1.755 -18.331 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.085 0.026 -20.521 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -2.088 1.197 -21.430 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -3.240 2.342 -20.703 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.766 1.882 -19.819 1.00 0.00 H new ATOM 356 N ALA A 23 -1.370 -0.538 -18.680 1.00 0.00 N ATOM 357 CA ALA A 23 -0.375 -1.547 -18.313 1.00 0.00 C ATOM 358 C ALA A 23 -1.060 -2.727 -17.624 1.00 0.00 C ATOM 359 O ALA A 23 -0.677 -3.881 -17.806 1.00 0.00 O ATOM 360 CB ALA A 23 0.666 -0.951 -17.359 1.00 0.00 C ATOM 0 H ALA A 23 -1.276 0.347 -18.181 1.00 0.00 H new ATOM 0 HA ALA A 23 0.121 -1.886 -19.223 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.398 -1.715 -17.096 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.171 -0.117 -17.846 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.171 -0.597 -16.455 1.00 0.00 H new ATOM 366 N PHE A 24 -2.089 -2.412 -16.839 1.00 0.00 N ATOM 367 CA PHE A 24 -2.850 -3.430 -16.120 1.00 0.00 C ATOM 368 C PHE A 24 -3.482 -4.425 -17.096 1.00 0.00 C ATOM 369 O PHE A 24 -3.420 -5.634 -16.887 1.00 0.00 O ATOM 370 CB PHE A 24 -3.964 -2.765 -15.302 1.00 0.00 C ATOM 371 CG PHE A 24 -4.481 -3.719 -14.254 1.00 0.00 C ATOM 372 CD1 PHE A 24 -5.389 -4.725 -14.605 1.00 0.00 C ATOM 373 CD2 PHE A 24 -4.054 -3.595 -12.928 1.00 0.00 C ATOM 374 CE1 PHE A 24 -5.871 -5.602 -13.631 1.00 0.00 C ATOM 375 CE2 PHE A 24 -4.534 -4.472 -11.956 1.00 0.00 C ATOM 376 CZ PHE A 24 -5.442 -5.476 -12.305 1.00 0.00 C ATOM 0 H PHE A 24 -2.415 -1.458 -16.685 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.166 -3.962 -15.459 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -3.585 -1.861 -14.826 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -4.777 -2.461 -15.961 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -5.717 -4.823 -15.629 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -3.352 -2.820 -12.657 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -6.574 -6.376 -13.901 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.204 -4.375 -10.932 1.00 0.00 H new ATOM 0 HZ PHE A 24 -5.813 -6.155 -11.551 1.00 0.00 H new ATOM 386 N ASP A 25 -4.100 -3.893 -18.155 1.00 0.00 N ATOM 387 CA ASP A 25 -4.770 -4.730 -19.159 1.00 0.00 C ATOM 388 C ASP A 25 -3.796 -5.681 -19.866 1.00 0.00 C ATOM 389 O ASP A 25 -4.123 -6.845 -20.102 1.00 0.00 O ATOM 390 CB ASP A 25 -5.453 -3.851 -20.213 1.00 0.00 C ATOM 391 CG ASP A 25 -6.568 -4.638 -20.897 1.00 0.00 C ATOM 392 OD1 ASP A 25 -6.278 -5.322 -21.865 1.00 0.00 O ATOM 393 OD2 ASP A 25 -7.697 -4.544 -20.443 1.00 0.00 O ATOM 0 H ASP A 25 -4.151 -2.891 -18.340 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.509 -5.329 -18.627 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -5.862 -2.956 -19.744 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -4.723 -3.519 -20.952 1.00 0.00 H new ATOM 398 N ILE A 26 -2.611 -5.175 -20.215 1.00 0.00 N ATOM 399 CA ILE A 26 -1.614 -6.000 -20.914 1.00 0.00 C ATOM 400 C ILE A 26 -0.979 -7.030 -19.974 1.00 0.00 C ATOM 401 O ILE A 26 -0.716 -8.164 -20.378 1.00 0.00 O ATOM 402 CB ILE A 26 -0.513 -5.129 -21.546 1.00 0.00 C ATOM 403 CG1 ILE A 26 0.133 -4.236 -20.476 1.00 0.00 C ATOM 404 CG2 ILE A 26 -1.128 -4.252 -22.641 1.00 0.00 C ATOM 405 CD1 ILE A 26 1.318 -3.473 -21.072 1.00 0.00 C ATOM 0 H ILE A 26 -2.318 -4.215 -20.031 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.142 -6.531 -21.706 1.00 0.00 H new ATOM 0 HB ILE A 26 0.252 -5.775 -21.977 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.603 -3.533 -20.086 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.468 -4.845 -19.637 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.351 -3.634 -23.091 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.576 -4.886 -23.406 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.895 -3.611 -22.206 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.768 -2.843 -20.305 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.059 -4.182 -21.440 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.972 -2.849 -21.896 1.00 0.00 H new ATOM 417 N PHE A 27 -0.733 -6.630 -18.722 1.00 0.00 N ATOM 418 CA PHE A 27 -0.122 -7.538 -17.745 1.00 0.00 C ATOM 419 C PHE A 27 -1.106 -8.632 -17.309 1.00 0.00 C ATOM 420 O PHE A 27 -0.699 -9.767 -17.050 1.00 0.00 O ATOM 421 CB PHE A 27 0.372 -6.764 -16.517 1.00 0.00 C ATOM 422 CG PHE A 27 1.565 -5.909 -16.904 1.00 0.00 C ATOM 423 CD1 PHE A 27 2.573 -6.432 -17.727 1.00 0.00 C ATOM 424 CD2 PHE A 27 1.655 -4.589 -16.449 1.00 0.00 C ATOM 425 CE1 PHE A 27 3.665 -5.637 -18.091 1.00 0.00 C ATOM 426 CE2 PHE A 27 2.749 -3.796 -16.815 1.00 0.00 C ATOM 427 CZ PHE A 27 3.753 -4.318 -17.637 1.00 0.00 C ATOM 0 H PHE A 27 -0.944 -5.698 -18.365 1.00 0.00 H new ATOM 0 HA PHE A 27 0.730 -8.014 -18.230 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -0.427 -6.135 -16.124 1.00 0.00 H new ATOM 0 HB3 PHE A 27 0.650 -7.458 -15.724 1.00 0.00 H new ATOM 0 HD1 PHE A 27 2.506 -7.450 -18.080 1.00 0.00 H new ATOM 0 HD2 PHE A 27 0.881 -4.182 -15.816 1.00 0.00 H new ATOM 0 HE1 PHE A 27 4.441 -6.043 -18.723 1.00 0.00 H new ATOM 0 HE2 PHE A 27 2.818 -2.778 -16.461 1.00 0.00 H new ATOM 0 HZ PHE A 27 4.595 -3.703 -17.920 1.00 0.00 H new ATOM 437 N ILE A 28 -2.404 -8.295 -17.248 1.00 0.00 N ATOM 438 CA ILE A 28 -3.421 -9.287 -16.860 1.00 0.00 C ATOM 439 C ILE A 28 -4.085 -9.916 -18.096 1.00 0.00 C ATOM 440 O ILE A 28 -5.078 -10.636 -17.973 1.00 0.00 O ATOM 441 CB ILE A 28 -4.517 -8.663 -15.976 1.00 0.00 C ATOM 442 CG1 ILE A 28 -5.350 -7.659 -16.787 1.00 0.00 C ATOM 443 CG2 ILE A 28 -3.880 -7.949 -14.783 1.00 0.00 C ATOM 444 CD1 ILE A 28 -6.631 -8.335 -17.281 1.00 0.00 C ATOM 0 H ILE A 28 -2.769 -7.366 -17.457 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.900 -10.058 -16.292 1.00 0.00 H new ATOM 0 HB ILE A 28 -5.169 -9.459 -15.618 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -5.597 -6.795 -16.171 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -4.771 -7.291 -17.634 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -4.661 -7.510 -14.162 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.308 -8.665 -14.194 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -3.217 -7.162 -15.142 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -7.221 -7.621 -17.856 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -6.373 -9.185 -17.913 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -7.213 -8.681 -16.427 1.00 0.00 H new ATOM 456 N GLN A 29 -3.529 -9.645 -19.287 1.00 0.00 N ATOM 457 CA GLN A 29 -4.078 -10.191 -20.534 1.00 0.00 C ATOM 458 C GLN A 29 -4.239 -11.714 -20.450 1.00 0.00 C ATOM 459 O GLN A 29 -5.214 -12.275 -20.952 1.00 0.00 O ATOM 460 CB GLN A 29 -3.151 -9.849 -21.709 1.00 0.00 C ATOM 461 CG GLN A 29 -3.661 -10.519 -22.988 1.00 0.00 C ATOM 462 CD GLN A 29 -2.827 -10.054 -24.179 1.00 0.00 C ATOM 463 OE1 GLN A 29 -2.132 -10.851 -24.807 1.00 0.00 O ATOM 464 NE2 GLN A 29 -2.855 -8.796 -24.531 1.00 0.00 N ATOM 0 H GLN A 29 -2.706 -9.055 -19.411 1.00 0.00 H new ATOM 0 HA GLN A 29 -5.059 -9.743 -20.690 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -3.108 -8.769 -21.847 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -2.137 -10.184 -21.492 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -3.601 -11.603 -22.891 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -4.710 -10.270 -23.147 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -3.431 -8.134 -24.011 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -2.301 -8.476 -25.326 1.00 0.00 H new ATOM 473 N ASP A 30 -3.267 -12.370 -19.813 1.00 0.00 N ATOM 474 CA ASP A 30 -3.298 -13.831 -19.668 1.00 0.00 C ATOM 475 C ASP A 30 -3.945 -14.266 -18.341 1.00 0.00 C ATOM 476 O ASP A 30 -4.076 -15.463 -18.073 1.00 0.00 O ATOM 477 CB ASP A 30 -1.874 -14.399 -19.738 1.00 0.00 C ATOM 478 CG ASP A 30 -1.037 -13.860 -18.575 1.00 0.00 C ATOM 479 OD1 ASP A 30 -0.519 -12.760 -18.700 1.00 0.00 O ATOM 480 OD2 ASP A 30 -0.928 -14.553 -17.577 1.00 0.00 O ATOM 0 H ASP A 30 -2.454 -11.920 -19.392 1.00 0.00 H new ATOM 0 HA ASP A 30 -3.901 -14.222 -20.487 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.906 -15.488 -19.700 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.411 -14.127 -20.687 1.00 0.00 H new ATOM 485 N ALA A 31 -4.352 -13.292 -17.517 1.00 0.00 N ATOM 486 CA ALA A 31 -4.981 -13.596 -16.232 1.00 0.00 C ATOM 487 C ALA A 31 -6.501 -13.478 -16.333 1.00 0.00 C ATOM 488 O ALA A 31 -7.028 -12.695 -17.128 1.00 0.00 O ATOM 489 CB ALA A 31 -4.483 -12.637 -15.148 1.00 0.00 C ATOM 0 H ALA A 31 -4.257 -12.296 -17.717 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.712 -14.619 -15.967 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.962 -12.879 -14.200 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.402 -12.735 -15.044 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.729 -11.613 -15.428 1.00 0.00 H new ATOM 495 N GLU A 32 -7.194 -14.262 -15.507 1.00 0.00 N ATOM 496 CA GLU A 32 -8.659 -14.246 -15.486 1.00 0.00 C ATOM 497 C GLU A 32 -9.163 -14.000 -14.060 1.00 0.00 C ATOM 498 O GLU A 32 -10.105 -14.646 -13.593 1.00 0.00 O ATOM 499 CB GLU A 32 -9.213 -15.580 -16.004 1.00 0.00 C ATOM 500 CG GLU A 32 -8.942 -15.704 -17.508 1.00 0.00 C ATOM 501 CD GLU A 32 -9.888 -14.788 -18.280 1.00 0.00 C ATOM 502 OE1 GLU A 32 -11.023 -15.184 -18.494 1.00 0.00 O ATOM 503 OE2 GLU A 32 -9.464 -13.705 -18.649 1.00 0.00 O ATOM 0 H GLU A 32 -6.769 -14.913 -14.847 1.00 0.00 H new ATOM 0 HA GLU A 32 -9.006 -13.441 -16.134 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -8.747 -16.409 -15.471 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -10.284 -15.639 -15.812 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.907 -15.438 -17.724 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -9.079 -16.737 -17.828 1.00 0.00 H new ATOM 510 N ASP A 33 -8.515 -13.054 -13.375 1.00 0.00 N ATOM 511 CA ASP A 33 -8.885 -12.717 -11.999 1.00 0.00 C ATOM 512 C ASP A 33 -9.114 -11.211 -11.845 1.00 0.00 C ATOM 513 O ASP A 33 -10.089 -10.782 -11.227 1.00 0.00 O ATOM 514 CB ASP A 33 -7.780 -13.156 -11.031 1.00 0.00 C ATOM 515 CG ASP A 33 -8.314 -13.153 -9.601 1.00 0.00 C ATOM 516 OD1 ASP A 33 -8.879 -14.156 -9.197 1.00 0.00 O ATOM 517 OD2 ASP A 33 -8.150 -12.145 -8.929 1.00 0.00 O ATOM 0 H ASP A 33 -7.736 -12.511 -13.748 1.00 0.00 H new ATOM 0 HA ASP A 33 -9.811 -13.242 -11.765 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -7.427 -14.153 -11.295 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -6.925 -12.484 -11.111 1.00 0.00 H new ATOM 522 N GLY A 34 -8.196 -10.420 -12.407 1.00 0.00 N ATOM 523 CA GLY A 34 -8.292 -8.961 -12.324 1.00 0.00 C ATOM 524 C GLY A 34 -7.153 -8.394 -11.477 1.00 0.00 C ATOM 525 O GLY A 34 -7.358 -7.482 -10.674 1.00 0.00 O ATOM 0 H GLY A 34 -7.384 -10.762 -12.921 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.257 -8.531 -13.325 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.251 -8.678 -11.890 1.00 0.00 H new ATOM 529 N CYS A 35 -5.951 -8.948 -11.667 1.00 0.00 N ATOM 530 CA CYS A 35 -4.771 -8.500 -10.921 1.00 0.00 C ATOM 531 C CYS A 35 -3.493 -8.869 -11.676 1.00 0.00 C ATOM 532 O CYS A 35 -3.404 -9.936 -12.288 1.00 0.00 O ATOM 533 CB CYS A 35 -4.732 -9.138 -9.528 1.00 0.00 C ATOM 534 SG CYS A 35 -4.864 -10.939 -9.671 1.00 0.00 S ATOM 0 H CYS A 35 -5.770 -9.704 -12.328 1.00 0.00 H new ATOM 0 HA CYS A 35 -4.834 -7.417 -10.816 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.804 -8.872 -9.022 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -5.549 -8.752 -8.919 1.00 0.00 H new ATOM 0 HG CYS A 35 -4.334 -11.325 -10.793 1.00 0.00 H new ATOM 540 N ILE A 36 -2.501 -7.976 -11.619 1.00 0.00 N ATOM 541 CA ILE A 36 -1.223 -8.220 -12.296 1.00 0.00 C ATOM 542 C ILE A 36 -0.266 -8.951 -11.354 1.00 0.00 C ATOM 543 O ILE A 36 -0.590 -9.197 -10.191 1.00 0.00 O ATOM 544 CB ILE A 36 -0.575 -6.901 -12.758 1.00 0.00 C ATOM 545 CG1 ILE A 36 -0.150 -6.070 -11.540 1.00 0.00 C ATOM 546 CG2 ILE A 36 -1.567 -6.094 -13.601 1.00 0.00 C ATOM 547 CD1 ILE A 36 1.363 -6.195 -11.339 1.00 0.00 C ATOM 0 H ILE A 36 -2.555 -7.089 -11.118 1.00 0.00 H new ATOM 0 HA ILE A 36 -1.421 -8.835 -13.174 1.00 0.00 H new ATOM 0 HB ILE A 36 0.302 -7.136 -13.360 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.423 -5.025 -11.686 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -0.676 -6.415 -10.650 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -1.099 -5.164 -13.922 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.858 -6.675 -14.476 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.451 -5.868 -13.005 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.665 -5.605 -10.474 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.623 -7.241 -11.174 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.879 -5.829 -12.226 1.00 0.00 H new ATOM 559 N SER A 37 0.917 -9.294 -11.864 1.00 0.00 N ATOM 560 CA SER A 37 1.910 -9.993 -11.055 1.00 0.00 C ATOM 561 C SER A 37 2.851 -8.995 -10.383 1.00 0.00 C ATOM 562 O SER A 37 3.574 -8.257 -11.054 1.00 0.00 O ATOM 563 CB SER A 37 2.731 -10.953 -11.920 1.00 0.00 C ATOM 564 OG SER A 37 3.688 -11.623 -11.107 1.00 0.00 O ATOM 0 H SER A 37 1.207 -9.101 -12.823 1.00 0.00 H new ATOM 0 HA SER A 37 1.379 -10.561 -10.291 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.075 -11.678 -12.401 1.00 0.00 H new ATOM 0 HB3 SER A 37 3.235 -10.403 -12.715 1.00 0.00 H new ATOM 0 HG SER A 37 4.213 -12.239 -11.660 1.00 0.00 H new ATOM 570 N THR A 38 2.841 -8.994 -9.048 1.00 0.00 N ATOM 571 CA THR A 38 3.713 -8.099 -8.276 1.00 0.00 C ATOM 572 C THR A 38 5.176 -8.313 -8.675 1.00 0.00 C ATOM 573 O THR A 38 5.983 -7.385 -8.650 1.00 0.00 O ATOM 574 CB THR A 38 3.569 -8.358 -6.770 1.00 0.00 C ATOM 575 OG1 THR A 38 3.909 -9.708 -6.480 1.00 0.00 O ATOM 576 CG2 THR A 38 2.126 -8.096 -6.344 1.00 0.00 C ATOM 0 H THR A 38 2.245 -9.597 -8.481 1.00 0.00 H new ATOM 0 HA THR A 38 3.414 -7.074 -8.494 1.00 0.00 H new ATOM 0 HB THR A 38 4.238 -7.692 -6.225 1.00 0.00 H new ATOM 0 HG1 THR A 38 4.280 -9.765 -5.575 1.00 0.00 H new ATOM 0 HG21 THR A 38 2.023 -8.280 -5.275 1.00 0.00 H new ATOM 0 HG22 THR A 38 1.865 -7.060 -6.561 1.00 0.00 H new ATOM 0 HG23 THR A 38 1.458 -8.761 -6.892 1.00 0.00 H new ATOM 584 N LYS A 39 5.497 -9.552 -9.054 1.00 0.00 N ATOM 585 CA LYS A 39 6.858 -9.898 -9.478 1.00 0.00 C ATOM 586 C LYS A 39 7.178 -9.247 -10.826 1.00 0.00 C ATOM 587 O LYS A 39 8.323 -8.875 -11.090 1.00 0.00 O ATOM 588 CB LYS A 39 7.013 -11.418 -9.615 1.00 0.00 C ATOM 589 CG LYS A 39 6.561 -12.099 -8.320 1.00 0.00 C ATOM 590 CD LYS A 39 6.040 -13.506 -8.630 1.00 0.00 C ATOM 591 CE LYS A 39 7.216 -14.483 -8.738 1.00 0.00 C ATOM 592 NZ LYS A 39 7.655 -14.893 -7.373 1.00 0.00 N ATOM 0 H LYS A 39 4.838 -10.330 -9.077 1.00 0.00 H new ATOM 0 HA LYS A 39 7.547 -9.530 -8.718 1.00 0.00 H new ATOM 0 HB2 LYS A 39 6.419 -11.780 -10.455 1.00 0.00 H new ATOM 0 HB3 LYS A 39 8.052 -11.670 -9.827 1.00 0.00 H new ATOM 0 HG2 LYS A 39 7.393 -12.155 -7.618 1.00 0.00 H new ATOM 0 HG3 LYS A 39 5.780 -11.509 -7.841 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.356 -13.831 -7.846 1.00 0.00 H new ATOM 0 HD3 LYS A 39 5.476 -13.497 -9.562 1.00 0.00 H new ATOM 0 HE2 LYS A 39 6.921 -15.360 -9.314 1.00 0.00 H new ATOM 0 HE3 LYS A 39 8.043 -14.014 -9.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 8.670 -15.120 -7.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 7.484 -14.115 -6.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 7.118 -15.731 -7.073 1.00 0.00 H new ATOM 606 N GLU A 40 6.150 -9.113 -11.673 1.00 0.00 N ATOM 607 CA GLU A 40 6.326 -8.504 -12.996 1.00 0.00 C ATOM 608 C GLU A 40 6.268 -6.963 -12.933 1.00 0.00 C ATOM 609 O GLU A 40 6.292 -6.294 -13.970 1.00 0.00 O ATOM 610 CB GLU A 40 5.266 -9.051 -13.979 1.00 0.00 C ATOM 611 CG GLU A 40 4.094 -8.072 -14.156 1.00 0.00 C ATOM 612 CD GLU A 40 3.009 -8.726 -15.011 1.00 0.00 C ATOM 613 OE1 GLU A 40 3.271 -8.981 -16.175 1.00 0.00 O ATOM 614 OE2 GLU A 40 1.933 -8.959 -14.490 1.00 0.00 O ATOM 0 H GLU A 40 5.197 -9.415 -11.469 1.00 0.00 H new ATOM 0 HA GLU A 40 7.318 -8.774 -13.357 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.731 -9.241 -14.947 1.00 0.00 H new ATOM 0 HB3 GLU A 40 4.890 -10.006 -13.613 1.00 0.00 H new ATOM 0 HG2 GLU A 40 3.688 -7.795 -13.183 1.00 0.00 H new ATOM 0 HG3 GLU A 40 4.441 -7.154 -14.630 1.00 0.00 H new ATOM 621 N LEU A 41 6.208 -6.403 -11.713 1.00 0.00 N ATOM 622 CA LEU A 41 6.161 -4.944 -11.541 1.00 0.00 C ATOM 623 C LEU A 41 7.334 -4.258 -12.251 1.00 0.00 C ATOM 624 O LEU A 41 7.228 -3.096 -12.639 1.00 0.00 O ATOM 625 CB LEU A 41 6.193 -4.564 -10.057 1.00 0.00 C ATOM 626 CG LEU A 41 5.141 -3.536 -9.611 1.00 0.00 C ATOM 627 CD1 LEU A 41 5.341 -2.222 -10.371 1.00 0.00 C ATOM 628 CD2 LEU A 41 3.736 -4.079 -9.895 1.00 0.00 C ATOM 0 H LEU A 41 6.191 -6.933 -10.841 1.00 0.00 H new ATOM 0 HA LEU A 41 5.225 -4.604 -11.985 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.063 -5.470 -9.466 1.00 0.00 H new ATOM 0 HB3 LEU A 41 7.182 -4.170 -9.823 1.00 0.00 H new ATOM 0 HG LEU A 41 5.253 -3.355 -8.542 1.00 0.00 H new ATOM 0 HD11 LEU A 41 4.592 -1.498 -10.050 1.00 0.00 H new ATOM 0 HD12 LEU A 41 6.337 -1.830 -10.164 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.237 -2.401 -11.441 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.992 -3.348 -9.578 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.628 -4.267 -10.963 1.00 0.00 H new ATOM 0 HD23 LEU A 41 3.588 -5.009 -9.346 1.00 0.00 H new ATOM 640 N GLY A 42 8.446 -4.984 -12.426 1.00 0.00 N ATOM 641 CA GLY A 42 9.619 -4.427 -13.108 1.00 0.00 C ATOM 642 C GLY A 42 9.251 -3.936 -14.513 1.00 0.00 C ATOM 643 O GLY A 42 9.728 -2.894 -14.963 1.00 0.00 O ATOM 0 H GLY A 42 8.557 -5.947 -12.109 1.00 0.00 H new ATOM 0 HA2 GLY A 42 10.026 -3.601 -12.525 1.00 0.00 H new ATOM 0 HA3 GLY A 42 10.400 -5.185 -13.176 1.00 0.00 H new ATOM 647 N LYS A 43 8.379 -4.700 -15.188 1.00 0.00 N ATOM 648 CA LYS A 43 7.926 -4.342 -16.540 1.00 0.00 C ATOM 649 C LYS A 43 6.995 -3.121 -16.506 1.00 0.00 C ATOM 650 O LYS A 43 6.794 -2.455 -17.524 1.00 0.00 O ATOM 651 CB LYS A 43 7.168 -5.511 -17.186 1.00 0.00 C ATOM 652 CG LYS A 43 8.072 -6.747 -17.260 1.00 0.00 C ATOM 653 CD LYS A 43 9.144 -6.539 -18.334 1.00 0.00 C ATOM 654 CE LYS A 43 9.598 -7.899 -18.871 1.00 0.00 C ATOM 655 NZ LYS A 43 10.834 -7.728 -19.687 1.00 0.00 N ATOM 0 H LYS A 43 7.976 -5.563 -14.823 1.00 0.00 H new ATOM 0 HA LYS A 43 8.815 -4.107 -17.125 1.00 0.00 H new ATOM 0 HB2 LYS A 43 6.273 -5.739 -16.607 1.00 0.00 H new ATOM 0 HB3 LYS A 43 6.837 -5.232 -18.186 1.00 0.00 H new ATOM 0 HG2 LYS A 43 8.542 -6.924 -16.293 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.478 -7.631 -17.492 1.00 0.00 H new ATOM 0 HD2 LYS A 43 8.747 -5.929 -19.146 1.00 0.00 H new ATOM 0 HD3 LYS A 43 9.993 -5.999 -17.916 1.00 0.00 H new ATOM 0 HE2 LYS A 43 9.788 -8.583 -18.044 1.00 0.00 H new ATOM 0 HE3 LYS A 43 8.809 -8.344 -19.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 11.141 -8.653 -20.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 10.638 -7.090 -20.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 11.587 -7.322 -19.096 1.00 0.00 H new ATOM 669 N VAL A 44 6.433 -2.837 -15.327 1.00 0.00 N ATOM 670 CA VAL A 44 5.529 -1.698 -15.161 1.00 0.00 C ATOM 671 C VAL A 44 6.322 -0.461 -14.766 1.00 0.00 C ATOM 672 O VAL A 44 6.086 0.628 -15.283 1.00 0.00 O ATOM 673 CB VAL A 44 4.486 -1.960 -14.065 1.00 0.00 C ATOM 674 CG1 VAL A 44 3.268 -1.072 -14.312 1.00 0.00 C ATOM 675 CG2 VAL A 44 4.056 -3.433 -14.068 1.00 0.00 C ATOM 0 H VAL A 44 6.588 -3.379 -14.477 1.00 0.00 H new ATOM 0 HA VAL A 44 5.020 -1.548 -16.113 1.00 0.00 H new ATOM 0 HB VAL A 44 4.926 -1.730 -13.095 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.523 -1.253 -13.537 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.570 -0.025 -14.288 1.00 0.00 H new ATOM 0 HG13 VAL A 44 2.841 -1.304 -15.288 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.317 -3.598 -13.284 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.621 -3.683 -15.036 1.00 0.00 H new ATOM 0 HG23 VAL A 44 4.925 -4.066 -13.886 1.00 0.00 H new ATOM 685 N MET A 45 7.266 -0.650 -13.838 1.00 0.00 N ATOM 686 CA MET A 45 8.108 0.450 -13.362 1.00 0.00 C ATOM 687 C MET A 45 8.718 1.208 -14.539 1.00 0.00 C ATOM 688 O MET A 45 8.766 2.437 -14.534 1.00 0.00 O ATOM 689 CB MET A 45 9.240 -0.080 -12.474 1.00 0.00 C ATOM 690 CG MET A 45 8.699 -0.390 -11.077 1.00 0.00 C ATOM 691 SD MET A 45 8.597 1.140 -10.112 1.00 0.00 S ATOM 692 CE MET A 45 6.808 1.121 -9.837 1.00 0.00 C ATOM 0 H MET A 45 7.465 -1.551 -13.404 1.00 0.00 H new ATOM 0 HA MET A 45 7.476 1.123 -12.783 1.00 0.00 H new ATOM 0 HB2 MET A 45 9.671 -0.979 -12.915 1.00 0.00 H new ATOM 0 HB3 MET A 45 10.040 0.658 -12.409 1.00 0.00 H new ATOM 0 HG2 MET A 45 7.714 -0.851 -11.151 1.00 0.00 H new ATOM 0 HG3 MET A 45 9.349 -1.106 -10.575 1.00 0.00 H new ATOM 0 HE1 MET A 45 6.523 1.984 -9.235 1.00 0.00 H new ATOM 0 HE2 MET A 45 6.292 1.162 -10.796 1.00 0.00 H new ATOM 0 HE3 MET A 45 6.530 0.206 -9.314 1.00 0.00 H new ATOM 702 N ARG A 46 9.171 0.460 -15.552 1.00 0.00 N ATOM 703 CA ARG A 46 9.769 1.080 -16.741 1.00 0.00 C ATOM 704 C ARG A 46 8.725 1.879 -17.531 1.00 0.00 C ATOM 705 O ARG A 46 9.050 2.884 -18.166 1.00 0.00 O ATOM 706 CB ARG A 46 10.407 0.020 -17.651 1.00 0.00 C ATOM 707 CG ARG A 46 9.360 -1.007 -18.105 1.00 0.00 C ATOM 708 CD ARG A 46 9.392 -1.138 -19.630 1.00 0.00 C ATOM 709 NE ARG A 46 10.649 -1.751 -20.076 1.00 0.00 N ATOM 710 CZ ARG A 46 10.978 -1.821 -21.373 1.00 0.00 C ATOM 711 NH1 ARG A 46 10.174 -1.348 -22.297 1.00 0.00 N ATOM 712 NH2 ARG A 46 12.113 -2.370 -21.724 1.00 0.00 N ATOM 0 H ARG A 46 9.136 -0.559 -15.574 1.00 0.00 H new ATOM 0 HA ARG A 46 10.546 1.763 -16.397 1.00 0.00 H new ATOM 0 HB2 ARG A 46 10.853 0.501 -18.521 1.00 0.00 H new ATOM 0 HB3 ARG A 46 11.213 -0.486 -17.119 1.00 0.00 H new ATOM 0 HG2 ARG A 46 9.561 -1.974 -17.643 1.00 0.00 H new ATOM 0 HG3 ARG A 46 8.367 -0.698 -17.778 1.00 0.00 H new ATOM 0 HD2 ARG A 46 8.549 -1.742 -19.965 1.00 0.00 H new ATOM 0 HD3 ARG A 46 9.280 -0.154 -20.086 1.00 0.00 H new ATOM 0 HE ARG A 46 11.289 -2.134 -19.380 1.00 0.00 H new ATOM 0 HH11 ARG A 46 9.287 -0.921 -22.031 1.00 0.00 H new ATOM 0 HH12 ARG A 46 10.437 -1.408 -23.281 1.00 0.00 H new ATOM 0 HH21 ARG A 46 12.742 -2.742 -21.012 1.00 0.00 H new ATOM 0 HH22 ARG A 46 12.369 -2.426 -22.710 1.00 0.00 H new ATOM 726 N MET A 47 7.468 1.428 -17.472 1.00 0.00 N ATOM 727 CA MET A 47 6.375 2.110 -18.172 1.00 0.00 C ATOM 728 C MET A 47 5.907 3.338 -17.384 1.00 0.00 C ATOM 729 O MET A 47 5.491 4.340 -17.969 1.00 0.00 O ATOM 730 CB MET A 47 5.186 1.162 -18.368 1.00 0.00 C ATOM 731 CG MET A 47 5.498 0.170 -19.490 1.00 0.00 C ATOM 732 SD MET A 47 5.320 0.993 -21.092 1.00 0.00 S ATOM 733 CE MET A 47 7.079 1.070 -21.511 1.00 0.00 C ATOM 0 H MET A 47 7.183 0.599 -16.950 1.00 0.00 H new ATOM 0 HA MET A 47 6.752 2.427 -19.144 1.00 0.00 H new ATOM 0 HB2 MET A 47 4.980 0.625 -17.442 1.00 0.00 H new ATOM 0 HB3 MET A 47 4.290 1.732 -18.612 1.00 0.00 H new ATOM 0 HG2 MET A 47 6.512 -0.215 -19.378 1.00 0.00 H new ATOM 0 HG3 MET A 47 4.824 -0.685 -19.432 1.00 0.00 H new ATOM 0 HE1 MET A 47 7.247 1.872 -22.230 1.00 0.00 H new ATOM 0 HE2 MET A 47 7.660 1.264 -20.609 1.00 0.00 H new ATOM 0 HE3 MET A 47 7.391 0.121 -21.946 1.00 0.00 H new ATOM 743 N LEU A 48 5.990 3.253 -16.048 1.00 0.00 N ATOM 744 CA LEU A 48 5.584 4.368 -15.188 1.00 0.00 C ATOM 745 C LEU A 48 6.600 5.508 -15.285 1.00 0.00 C ATOM 746 O LEU A 48 6.249 6.684 -15.165 1.00 0.00 O ATOM 747 CB LEU A 48 5.486 3.916 -13.722 1.00 0.00 C ATOM 748 CG LEU A 48 4.078 3.553 -13.227 1.00 0.00 C ATOM 749 CD1 LEU A 48 3.076 4.621 -13.674 1.00 0.00 C ATOM 750 CD2 LEU A 48 3.668 2.191 -13.798 1.00 0.00 C ATOM 0 H LEU A 48 6.331 2.433 -15.547 1.00 0.00 H new ATOM 0 HA LEU A 48 4.607 4.713 -15.526 1.00 0.00 H new ATOM 0 HB2 LEU A 48 6.133 3.050 -13.585 1.00 0.00 H new ATOM 0 HB3 LEU A 48 5.879 4.712 -13.089 1.00 0.00 H new ATOM 0 HG LEU A 48 4.084 3.503 -12.138 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.080 4.357 -13.319 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.364 5.587 -13.259 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.069 4.681 -14.762 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.669 1.935 -13.446 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.668 2.238 -14.887 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.375 1.430 -13.468 1.00 0.00 H new ATOM 762 N GLY A 49 7.863 5.139 -15.508 1.00 0.00 N ATOM 763 CA GLY A 49 8.943 6.121 -15.628 1.00 0.00 C ATOM 764 C GLY A 49 9.991 5.938 -14.526 1.00 0.00 C ATOM 765 O GLY A 49 10.631 6.902 -14.105 1.00 0.00 O ATOM 0 H GLY A 49 8.163 4.169 -15.609 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.418 6.023 -16.604 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.529 7.128 -15.574 1.00 0.00 H new ATOM 769 N GLN A 50 10.161 4.692 -14.066 1.00 0.00 N ATOM 770 CA GLN A 50 11.135 4.392 -13.010 1.00 0.00 C ATOM 771 C GLN A 50 11.988 3.181 -13.398 1.00 0.00 C ATOM 772 O GLN A 50 11.626 2.411 -14.291 1.00 0.00 O ATOM 773 CB GLN A 50 10.426 4.086 -11.682 1.00 0.00 C ATOM 774 CG GLN A 50 9.369 5.158 -11.377 1.00 0.00 C ATOM 775 CD GLN A 50 10.050 6.487 -11.049 1.00 0.00 C ATOM 776 OE1 GLN A 50 11.033 6.526 -10.307 1.00 0.00 O ATOM 777 NE2 GLN A 50 9.578 7.593 -11.561 1.00 0.00 N ATOM 0 H GLN A 50 9.642 3.882 -14.405 1.00 0.00 H new ATOM 0 HA GLN A 50 11.770 5.270 -12.889 1.00 0.00 H new ATOM 0 HB2 GLN A 50 9.953 3.105 -11.733 1.00 0.00 H new ATOM 0 HB3 GLN A 50 11.156 4.047 -10.874 1.00 0.00 H new ATOM 0 HG2 GLN A 50 8.707 5.281 -12.234 1.00 0.00 H new ATOM 0 HG3 GLN A 50 8.749 4.841 -10.538 1.00 0.00 H new ATOM 0 HE21 GLN A 50 8.764 7.564 -12.176 1.00 0.00 H new ATOM 0 HE22 GLN A 50 10.023 8.485 -11.346 1.00 0.00 H new ATOM 786 N ASN A 51 13.123 3.020 -12.712 1.00 0.00 N ATOM 787 CA ASN A 51 14.019 1.895 -12.991 1.00 0.00 C ATOM 788 C ASN A 51 14.696 1.404 -11.702 1.00 0.00 C ATOM 789 O ASN A 51 15.916 1.506 -11.546 1.00 0.00 O ATOM 790 CB ASN A 51 15.089 2.313 -14.010 1.00 0.00 C ATOM 791 CG ASN A 51 15.672 1.076 -14.686 1.00 0.00 C ATOM 792 OD1 ASN A 51 14.943 0.287 -15.290 1.00 0.00 O ATOM 793 ND2 ASN A 51 16.958 0.855 -14.622 1.00 0.00 N ATOM 0 H ASN A 51 13.440 3.644 -11.970 1.00 0.00 H new ATOM 0 HA ASN A 51 13.425 1.080 -13.405 1.00 0.00 H new ATOM 0 HB2 ASN A 51 14.653 2.975 -14.758 1.00 0.00 H new ATOM 0 HB3 ASN A 51 15.880 2.873 -13.511 1.00 0.00 H new ATOM 0 HD21 ASN A 51 17.357 0.031 -15.071 1.00 0.00 H new ATOM 0 HD22 ASN A 51 17.563 1.507 -14.123 1.00 0.00 H new ATOM 800 N PRO A 52 13.905 0.861 -10.764 1.00 0.00 N ATOM 801 CA PRO A 52 14.430 0.348 -9.484 1.00 0.00 C ATOM 802 C PRO A 52 14.926 -1.100 -9.590 1.00 0.00 C ATOM 803 O PRO A 52 15.206 -1.599 -10.682 1.00 0.00 O ATOM 804 CB PRO A 52 13.202 0.440 -8.582 1.00 0.00 C ATOM 805 CG PRO A 52 11.976 0.399 -9.487 1.00 0.00 C ATOM 806 CD PRO A 52 12.441 0.728 -10.911 1.00 0.00 C ATOM 0 HA PRO A 52 15.297 0.903 -9.126 1.00 0.00 H new ATOM 0 HB2 PRO A 52 13.184 -0.386 -7.871 1.00 0.00 H new ATOM 0 HB3 PRO A 52 13.220 1.361 -8.000 1.00 0.00 H new ATOM 0 HG2 PRO A 52 11.509 -0.585 -9.454 1.00 0.00 H new ATOM 0 HG3 PRO A 52 11.228 1.118 -9.152 1.00 0.00 H new ATOM 0 HD2 PRO A 52 12.177 -0.062 -11.614 1.00 0.00 H new ATOM 0 HD3 PRO A 52 11.988 1.648 -11.280 1.00 0.00 H new ATOM 814 N THR A 53 15.022 -1.766 -8.436 1.00 0.00 N ATOM 815 CA THR A 53 15.476 -3.158 -8.384 1.00 0.00 C ATOM 816 C THR A 53 14.278 -4.070 -8.085 1.00 0.00 C ATOM 817 O THR A 53 13.188 -3.580 -7.779 1.00 0.00 O ATOM 818 CB THR A 53 16.550 -3.329 -7.289 1.00 0.00 C ATOM 819 OG1 THR A 53 15.926 -3.508 -6.024 1.00 0.00 O ATOM 820 CG2 THR A 53 17.447 -2.091 -7.235 1.00 0.00 C ATOM 0 H THR A 53 14.792 -1.365 -7.527 1.00 0.00 H new ATOM 0 HA THR A 53 15.912 -3.429 -9.345 1.00 0.00 H new ATOM 0 HB THR A 53 17.154 -4.204 -7.526 1.00 0.00 H new ATOM 0 HG1 THR A 53 16.612 -3.618 -5.333 1.00 0.00 H new ATOM 0 HG21 THR A 53 18.201 -2.222 -6.459 1.00 0.00 H new ATOM 0 HG22 THR A 53 17.938 -1.955 -8.199 1.00 0.00 H new ATOM 0 HG23 THR A 53 16.842 -1.213 -7.008 1.00 0.00 H new ATOM 828 N PRO A 54 14.453 -5.400 -8.153 1.00 0.00 N ATOM 829 CA PRO A 54 13.350 -6.340 -7.866 1.00 0.00 C ATOM 830 C PRO A 54 13.007 -6.389 -6.376 1.00 0.00 C ATOM 831 O PRO A 54 11.870 -6.683 -5.999 1.00 0.00 O ATOM 832 CB PRO A 54 13.901 -7.669 -8.370 1.00 0.00 C ATOM 833 CG PRO A 54 15.416 -7.543 -8.373 1.00 0.00 C ATOM 834 CD PRO A 54 15.739 -6.051 -8.500 1.00 0.00 C ATOM 0 HA PRO A 54 12.412 -6.056 -8.343 1.00 0.00 H new ATOM 0 HB2 PRO A 54 13.582 -8.489 -7.726 1.00 0.00 H new ATOM 0 HB3 PRO A 54 13.529 -7.887 -9.371 1.00 0.00 H new ATOM 0 HG2 PRO A 54 15.839 -7.953 -7.456 1.00 0.00 H new ATOM 0 HG3 PRO A 54 15.848 -8.103 -9.202 1.00 0.00 H new ATOM 0 HD2 PRO A 54 16.538 -5.752 -7.822 1.00 0.00 H new ATOM 0 HD3 PRO A 54 16.063 -5.793 -9.508 1.00 0.00 H new ATOM 842 N GLU A 55 13.996 -6.068 -5.536 1.00 0.00 N ATOM 843 CA GLU A 55 13.788 -6.046 -4.090 1.00 0.00 C ATOM 844 C GLU A 55 13.111 -4.736 -3.678 1.00 0.00 C ATOM 845 O GLU A 55 12.271 -4.716 -2.777 1.00 0.00 O ATOM 846 CB GLU A 55 15.122 -6.176 -3.346 1.00 0.00 C ATOM 847 CG GLU A 55 15.760 -7.533 -3.663 1.00 0.00 C ATOM 848 CD GLU A 55 16.967 -7.756 -2.758 1.00 0.00 C ATOM 849 OE1 GLU A 55 18.035 -7.271 -3.095 1.00 0.00 O ATOM 850 OE2 GLU A 55 16.808 -8.412 -1.741 1.00 0.00 O ATOM 0 H GLU A 55 14.941 -5.822 -5.832 1.00 0.00 H new ATOM 0 HA GLU A 55 13.151 -6.890 -3.827 1.00 0.00 H new ATOM 0 HB2 GLU A 55 15.794 -5.370 -3.641 1.00 0.00 H new ATOM 0 HB3 GLU A 55 14.961 -6.081 -2.272 1.00 0.00 H new ATOM 0 HG2 GLU A 55 15.032 -8.331 -3.518 1.00 0.00 H new ATOM 0 HG3 GLU A 55 16.066 -7.567 -4.709 1.00 0.00 H new ATOM 857 N GLU A 56 13.491 -3.640 -4.354 1.00 0.00 N ATOM 858 CA GLU A 56 12.920 -2.324 -4.055 1.00 0.00 C ATOM 859 C GLU A 56 11.459 -2.248 -4.493 1.00 0.00 C ATOM 860 O GLU A 56 10.591 -1.849 -3.715 1.00 0.00 O ATOM 861 CB GLU A 56 13.708 -1.219 -4.767 1.00 0.00 C ATOM 862 CG GLU A 56 15.054 -1.013 -4.067 1.00 0.00 C ATOM 863 CD GLU A 56 15.608 0.361 -4.426 1.00 0.00 C ATOM 864 OE1 GLU A 56 16.141 0.498 -5.515 1.00 0.00 O ATOM 865 OE2 GLU A 56 15.491 1.258 -3.607 1.00 0.00 O ATOM 0 H GLU A 56 14.184 -3.641 -5.103 1.00 0.00 H new ATOM 0 HA GLU A 56 12.980 -2.180 -2.976 1.00 0.00 H new ATOM 0 HB2 GLU A 56 13.867 -1.488 -5.811 1.00 0.00 H new ATOM 0 HB3 GLU A 56 13.138 -0.290 -4.760 1.00 0.00 H new ATOM 0 HG2 GLU A 56 14.931 -1.097 -2.987 1.00 0.00 H new ATOM 0 HG3 GLU A 56 15.756 -1.790 -4.369 1.00 0.00 H new ATOM 872 N LEU A 57 11.193 -2.631 -5.750 1.00 0.00 N ATOM 873 CA LEU A 57 9.829 -2.593 -6.280 1.00 0.00 C ATOM 874 C LEU A 57 8.885 -3.468 -5.449 1.00 0.00 C ATOM 875 O LEU A 57 7.724 -3.111 -5.245 1.00 0.00 O ATOM 876 CB LEU A 57 9.796 -3.048 -7.746 1.00 0.00 C ATOM 877 CG LEU A 57 10.134 -4.523 -8.007 1.00 0.00 C ATOM 878 CD1 LEU A 57 8.869 -5.379 -7.871 1.00 0.00 C ATOM 879 CD2 LEU A 57 10.690 -4.667 -9.427 1.00 0.00 C ATOM 0 H LEU A 57 11.896 -2.966 -6.409 1.00 0.00 H new ATOM 0 HA LEU A 57 9.489 -1.559 -6.222 1.00 0.00 H new ATOM 0 HB2 LEU A 57 8.801 -2.849 -8.144 1.00 0.00 H new ATOM 0 HB3 LEU A 57 10.494 -2.431 -8.312 1.00 0.00 H new ATOM 0 HG LEU A 57 10.875 -4.858 -7.281 1.00 0.00 H new ATOM 0 HD11 LEU A 57 9.115 -6.424 -8.057 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.466 -5.275 -6.864 1.00 0.00 H new ATOM 0 HD13 LEU A 57 8.125 -5.047 -8.595 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.932 -5.712 -9.619 1.00 0.00 H new ATOM 0 HD22 LEU A 57 9.943 -4.330 -10.146 1.00 0.00 H new ATOM 0 HD23 LEU A 57 11.591 -4.062 -9.528 1.00 0.00 H new ATOM 891 N GLN A 58 9.394 -4.610 -4.969 1.00 0.00 N ATOM 892 CA GLN A 58 8.579 -5.520 -4.159 1.00 0.00 C ATOM 893 C GLN A 58 8.074 -4.816 -2.898 1.00 0.00 C ATOM 894 O GLN A 58 6.901 -4.931 -2.542 1.00 0.00 O ATOM 895 CB GLN A 58 9.387 -6.763 -3.760 1.00 0.00 C ATOM 896 CG GLN A 58 8.466 -7.790 -3.089 1.00 0.00 C ATOM 897 CD GLN A 58 7.488 -8.364 -4.114 1.00 0.00 C ATOM 898 OE1 GLN A 58 7.827 -9.284 -4.858 1.00 0.00 O ATOM 899 NE2 GLN A 58 6.280 -7.869 -4.200 1.00 0.00 N ATOM 0 H GLN A 58 10.353 -4.922 -5.125 1.00 0.00 H new ATOM 0 HA GLN A 58 7.725 -5.828 -4.762 1.00 0.00 H new ATOM 0 HB2 GLN A 58 9.855 -7.202 -4.641 1.00 0.00 H new ATOM 0 HB3 GLN A 58 10.190 -6.482 -3.079 1.00 0.00 H new ATOM 0 HG2 GLN A 58 9.060 -8.593 -2.652 1.00 0.00 H new ATOM 0 HG3 GLN A 58 7.916 -7.320 -2.274 1.00 0.00 H new ATOM 0 HE21 GLN A 58 5.996 -7.107 -3.585 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.622 -8.246 -4.882 1.00 0.00 H new ATOM 908 N GLU A 59 8.972 -4.081 -2.231 1.00 0.00 N ATOM 909 CA GLU A 59 8.610 -3.351 -1.010 1.00 0.00 C ATOM 910 C GLU A 59 7.496 -2.340 -1.285 1.00 0.00 C ATOM 911 O GLU A 59 6.572 -2.190 -0.485 1.00 0.00 O ATOM 912 CB GLU A 59 9.827 -2.613 -0.444 1.00 0.00 C ATOM 913 CG GLU A 59 10.666 -3.579 0.397 1.00 0.00 C ATOM 914 CD GLU A 59 10.037 -3.733 1.780 1.00 0.00 C ATOM 915 OE1 GLU A 59 9.193 -4.603 1.934 1.00 0.00 O ATOM 916 OE2 GLU A 59 10.408 -2.979 2.666 1.00 0.00 O ATOM 0 H GLU A 59 9.947 -3.976 -2.513 1.00 0.00 H new ATOM 0 HA GLU A 59 8.256 -4.082 -0.283 1.00 0.00 H new ATOM 0 HB2 GLU A 59 10.428 -2.205 -1.257 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.503 -1.770 0.167 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.726 -4.549 -0.096 1.00 0.00 H new ATOM 0 HG3 GLU A 59 11.686 -3.205 0.490 1.00 0.00 H new ATOM 923 N MET A 60 7.590 -1.656 -2.432 1.00 0.00 N ATOM 924 CA MET A 60 6.574 -0.666 -2.811 1.00 0.00 C ATOM 925 C MET A 60 5.224 -1.350 -3.017 1.00 0.00 C ATOM 926 O MET A 60 4.177 -0.807 -2.661 1.00 0.00 O ATOM 927 CB MET A 60 6.965 0.058 -4.106 1.00 0.00 C ATOM 928 CG MET A 60 8.383 0.618 -3.983 1.00 0.00 C ATOM 929 SD MET A 60 8.615 1.948 -5.190 1.00 0.00 S ATOM 930 CE MET A 60 10.013 1.218 -6.078 1.00 0.00 C ATOM 0 H MET A 60 8.348 -1.767 -3.106 1.00 0.00 H new ATOM 0 HA MET A 60 6.504 0.063 -2.003 1.00 0.00 H new ATOM 0 HB2 MET A 60 6.909 -0.631 -4.949 1.00 0.00 H new ATOM 0 HB3 MET A 60 6.262 0.866 -4.307 1.00 0.00 H new ATOM 0 HG2 MET A 60 8.550 0.995 -2.974 1.00 0.00 H new ATOM 0 HG3 MET A 60 9.114 -0.173 -4.153 1.00 0.00 H new ATOM 0 HE1 MET A 60 10.664 2.011 -6.446 1.00 0.00 H new ATOM 0 HE2 MET A 60 10.574 0.571 -5.404 1.00 0.00 H new ATOM 0 HE3 MET A 60 9.644 0.632 -6.919 1.00 0.00 H new ATOM 940 N ILE A 61 5.271 -2.553 -3.592 1.00 0.00 N ATOM 941 CA ILE A 61 4.054 -3.328 -3.845 1.00 0.00 C ATOM 942 C ILE A 61 3.434 -3.790 -2.526 1.00 0.00 C ATOM 943 O ILE A 61 2.233 -3.646 -2.318 1.00 0.00 O ATOM 944 CB ILE A 61 4.362 -4.560 -4.705 1.00 0.00 C ATOM 945 CG1 ILE A 61 4.909 -4.118 -6.066 1.00 0.00 C ATOM 946 CG2 ILE A 61 3.084 -5.375 -4.916 1.00 0.00 C ATOM 947 CD1 ILE A 61 5.856 -5.191 -6.605 1.00 0.00 C ATOM 0 H ILE A 61 6.133 -3.010 -3.890 1.00 0.00 H new ATOM 0 HA ILE A 61 3.354 -2.683 -4.376 1.00 0.00 H new ATOM 0 HB ILE A 61 5.106 -5.173 -4.195 1.00 0.00 H new ATOM 0 HG12 ILE A 61 4.089 -3.957 -6.765 1.00 0.00 H new ATOM 0 HG13 ILE A 61 5.435 -3.169 -5.968 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.307 -6.249 -5.527 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.694 -5.697 -3.950 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.339 -4.760 -5.421 1.00 0.00 H new ATOM 0 HD11 ILE A 61 6.246 -4.878 -7.574 1.00 0.00 H new ATOM 0 HD12 ILE A 61 6.683 -5.330 -5.908 1.00 0.00 H new ATOM 0 HD13 ILE A 61 5.315 -6.130 -6.718 1.00 0.00 H new ATOM 959 N ASP A 62 4.270 -4.349 -1.643 1.00 0.00 N ATOM 960 CA ASP A 62 3.798 -4.838 -0.339 1.00 0.00 C ATOM 961 C ASP A 62 3.017 -3.752 0.408 1.00 0.00 C ATOM 962 O ASP A 62 2.029 -4.044 1.085 1.00 0.00 O ATOM 963 CB ASP A 62 4.978 -5.286 0.537 1.00 0.00 C ATOM 964 CG ASP A 62 5.742 -6.430 -0.138 1.00 0.00 C ATOM 965 OD1 ASP A 62 5.100 -7.323 -0.672 1.00 0.00 O ATOM 966 OD2 ASP A 62 6.961 -6.396 -0.104 1.00 0.00 O ATOM 0 H ASP A 62 5.269 -4.474 -1.804 1.00 0.00 H new ATOM 0 HA ASP A 62 3.142 -5.687 -0.533 1.00 0.00 H new ATOM 0 HB2 ASP A 62 5.649 -4.445 0.711 1.00 0.00 H new ATOM 0 HB3 ASP A 62 4.613 -5.610 1.512 1.00 0.00 H new ATOM 971 N GLU A 63 3.471 -2.500 0.275 1.00 0.00 N ATOM 972 CA GLU A 63 2.807 -1.373 0.940 1.00 0.00 C ATOM 973 C GLU A 63 1.334 -1.283 0.532 1.00 0.00 C ATOM 974 O GLU A 63 0.450 -1.162 1.383 1.00 0.00 O ATOM 975 CB GLU A 63 3.499 -0.053 0.585 1.00 0.00 C ATOM 976 CG GLU A 63 4.765 0.113 1.431 1.00 0.00 C ATOM 977 CD GLU A 63 4.412 0.802 2.747 1.00 0.00 C ATOM 978 OE1 GLU A 63 4.372 2.022 2.763 1.00 0.00 O ATOM 979 OE2 GLU A 63 4.189 0.099 3.719 1.00 0.00 O ATOM 0 H GLU A 63 4.287 -2.243 -0.281 1.00 0.00 H new ATOM 0 HA GLU A 63 2.872 -1.545 2.014 1.00 0.00 H new ATOM 0 HB2 GLU A 63 3.754 -0.039 -0.475 1.00 0.00 H new ATOM 0 HB3 GLU A 63 2.821 0.782 0.761 1.00 0.00 H new ATOM 0 HG2 GLU A 63 5.214 -0.861 1.627 1.00 0.00 H new ATOM 0 HG3 GLU A 63 5.504 0.701 0.887 1.00 0.00 H new ATOM 986 N VAL A 64 1.080 -1.341 -0.781 1.00 0.00 N ATOM 987 CA VAL A 64 -0.294 -1.261 -1.294 1.00 0.00 C ATOM 988 C VAL A 64 -0.995 -2.626 -1.230 1.00 0.00 C ATOM 989 O VAL A 64 -2.222 -2.692 -1.148 1.00 0.00 O ATOM 990 CB VAL A 64 -0.317 -0.743 -2.742 1.00 0.00 C ATOM 991 CG1 VAL A 64 0.527 0.530 -2.850 1.00 0.00 C ATOM 992 CG2 VAL A 64 0.248 -1.805 -3.693 1.00 0.00 C ATOM 0 H VAL A 64 1.797 -1.442 -1.500 1.00 0.00 H new ATOM 0 HA VAL A 64 -0.831 -0.559 -0.657 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.348 -0.525 -3.019 1.00 0.00 H new ATOM 0 HG11 VAL A 64 0.508 0.893 -3.878 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.120 1.294 -2.187 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.555 0.310 -2.562 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.226 -1.427 -4.715 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.276 -2.035 -3.413 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -0.356 -2.710 -3.628 1.00 0.00 H new ATOM 1002 N ASP A 65 -0.206 -3.709 -1.269 1.00 0.00 N ATOM 1003 CA ASP A 65 -0.767 -5.059 -1.215 1.00 0.00 C ATOM 1004 C ASP A 65 -1.208 -5.383 0.214 1.00 0.00 C ATOM 1005 O ASP A 65 -0.479 -6.012 0.985 1.00 0.00 O ATOM 1006 CB ASP A 65 0.263 -6.098 -1.687 1.00 0.00 C ATOM 1007 CG ASP A 65 -0.370 -7.024 -2.725 1.00 0.00 C ATOM 1008 OD1 ASP A 65 -1.301 -7.733 -2.375 1.00 0.00 O ATOM 1009 OD2 ASP A 65 0.086 -7.013 -3.857 1.00 0.00 O ATOM 0 H ASP A 65 0.811 -3.674 -1.337 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.630 -5.099 -1.880 1.00 0.00 H new ATOM 0 HB2 ASP A 65 1.129 -5.595 -2.116 1.00 0.00 H new ATOM 0 HB3 ASP A 65 0.621 -6.680 -0.838 1.00 0.00 H new ATOM 1014 N GLU A 66 -2.418 -4.931 0.549 1.00 0.00 N ATOM 1015 CA GLU A 66 -2.986 -5.156 1.888 1.00 0.00 C ATOM 1016 C GLU A 66 -3.083 -6.649 2.188 1.00 0.00 C ATOM 1017 O GLU A 66 -2.775 -7.098 3.294 1.00 0.00 O ATOM 1018 CB GLU A 66 -4.389 -4.550 1.993 1.00 0.00 C ATOM 1019 CG GLU A 66 -4.358 -3.087 1.549 1.00 0.00 C ATOM 1020 CD GLU A 66 -5.660 -2.402 1.950 1.00 0.00 C ATOM 1021 OE1 GLU A 66 -6.593 -2.439 1.164 1.00 0.00 O ATOM 1022 OE2 GLU A 66 -5.706 -1.851 3.038 1.00 0.00 O ATOM 0 H GLU A 66 -3.025 -4.408 -0.083 1.00 0.00 H new ATOM 0 HA GLU A 66 -2.323 -4.676 2.608 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -5.085 -5.113 1.372 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -4.749 -4.620 3.019 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -3.511 -2.576 2.006 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -4.222 -3.027 0.469 1.00 0.00 H new ATOM 1029 N ASP A 67 -3.519 -7.407 1.184 1.00 0.00 N ATOM 1030 CA ASP A 67 -3.662 -8.857 1.328 1.00 0.00 C ATOM 1031 C ASP A 67 -2.306 -9.551 1.181 1.00 0.00 C ATOM 1032 O ASP A 67 -2.015 -10.517 1.889 1.00 0.00 O ATOM 1033 CB ASP A 67 -4.643 -9.420 0.284 1.00 0.00 C ATOM 1034 CG ASP A 67 -4.328 -8.863 -1.108 1.00 0.00 C ATOM 1035 OD1 ASP A 67 -4.717 -7.739 -1.385 1.00 0.00 O ATOM 1036 OD2 ASP A 67 -3.701 -9.569 -1.876 1.00 0.00 O ATOM 0 H ASP A 67 -3.778 -7.045 0.266 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.058 -9.052 2.325 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -4.581 -10.508 0.269 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -5.665 -9.163 0.562 1.00 0.00 H new ATOM 1041 N GLY A 68 -1.483 -9.051 0.254 1.00 0.00 N ATOM 1042 CA GLY A 68 -0.160 -9.629 0.018 1.00 0.00 C ATOM 1043 C GLY A 68 -0.282 -10.971 -0.695 1.00 0.00 C ATOM 1044 O GLY A 68 0.339 -11.958 -0.296 1.00 0.00 O ATOM 0 H GLY A 68 -1.709 -8.253 -0.340 1.00 0.00 H new ATOM 0 HA2 GLY A 68 0.440 -8.945 -0.582 1.00 0.00 H new ATOM 0 HA3 GLY A 68 0.360 -9.761 0.967 1.00 0.00 H new ATOM 1048 N SER A 69 -1.097 -10.992 -1.751 1.00 0.00 N ATOM 1049 CA SER A 69 -1.312 -12.219 -2.522 1.00 0.00 C ATOM 1050 C SER A 69 -0.298 -12.364 -3.665 1.00 0.00 C ATOM 1051 O SER A 69 -0.365 -13.322 -4.439 1.00 0.00 O ATOM 1052 CB SER A 69 -2.724 -12.228 -3.114 1.00 0.00 C ATOM 1053 OG SER A 69 -2.876 -11.116 -3.993 1.00 0.00 O ATOM 0 H SER A 69 -1.615 -10.182 -2.090 1.00 0.00 H new ATOM 0 HA SER A 69 -1.182 -13.056 -1.835 1.00 0.00 H new ATOM 0 HB2 SER A 69 -2.898 -13.159 -3.654 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.465 -12.179 -2.316 1.00 0.00 H new ATOM 0 HG SER A 69 -3.190 -10.339 -3.486 1.00 0.00 H new ATOM 1059 N GLY A 70 0.632 -11.406 -3.783 1.00 0.00 N ATOM 1060 CA GLY A 70 1.625 -11.449 -4.853 1.00 0.00 C ATOM 1061 C GLY A 70 1.014 -10.978 -6.174 1.00 0.00 C ATOM 1062 O GLY A 70 1.521 -11.294 -7.252 1.00 0.00 O ATOM 0 H GLY A 70 0.713 -10.604 -3.158 1.00 0.00 H new ATOM 0 HA2 GLY A 70 2.475 -10.817 -4.594 1.00 0.00 H new ATOM 0 HA3 GLY A 70 2.005 -12.465 -4.963 1.00 0.00 H new ATOM 1066 N THR A 71 -0.084 -10.214 -6.074 1.00 0.00 N ATOM 1067 CA THR A 71 -0.763 -9.697 -7.260 1.00 0.00 C ATOM 1068 C THR A 71 -1.312 -8.298 -6.980 1.00 0.00 C ATOM 1069 O THR A 71 -1.911 -8.052 -5.930 1.00 0.00 O ATOM 1070 CB THR A 71 -1.921 -10.617 -7.679 1.00 0.00 C ATOM 1071 OG1 THR A 71 -2.960 -10.562 -6.706 1.00 0.00 O ATOM 1072 CG2 THR A 71 -1.419 -12.058 -7.807 1.00 0.00 C ATOM 0 H THR A 71 -0.514 -9.945 -5.189 1.00 0.00 H new ATOM 0 HA THR A 71 -0.036 -9.655 -8.071 1.00 0.00 H new ATOM 0 HB THR A 71 -2.309 -10.282 -8.641 1.00 0.00 H new ATOM 0 HG1 THR A 71 -2.610 -10.851 -5.837 1.00 0.00 H new ATOM 0 HG21 THR A 71 -2.244 -12.706 -8.104 1.00 0.00 H new ATOM 0 HG22 THR A 71 -0.632 -12.104 -8.560 1.00 0.00 H new ATOM 0 HG23 THR A 71 -1.023 -12.392 -6.848 1.00 0.00 H new ATOM 1080 N VAL A 72 -1.102 -7.388 -7.930 1.00 0.00 N ATOM 1081 CA VAL A 72 -1.585 -6.017 -7.773 1.00 0.00 C ATOM 1082 C VAL A 72 -2.899 -5.832 -8.520 1.00 0.00 C ATOM 1083 O VAL A 72 -2.953 -5.945 -9.746 1.00 0.00 O ATOM 1084 CB VAL A 72 -0.577 -4.996 -8.318 1.00 0.00 C ATOM 1085 CG1 VAL A 72 -0.916 -3.607 -7.769 1.00 0.00 C ATOM 1086 CG2 VAL A 72 0.846 -5.369 -7.894 1.00 0.00 C ATOM 0 H VAL A 72 -0.608 -7.571 -8.804 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.724 -5.848 -6.705 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.633 -4.994 -9.407 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -0.202 -2.879 -8.154 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -1.922 -3.328 -8.081 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -0.865 -3.624 -6.680 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.548 -4.634 -8.289 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.910 -5.383 -6.806 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.095 -6.356 -8.285 1.00 0.00 H new ATOM 1096 N ASP A 73 -3.950 -5.517 -7.771 1.00 0.00 N ATOM 1097 CA ASP A 73 -5.258 -5.279 -8.375 1.00 0.00 C ATOM 1098 C ASP A 73 -5.311 -3.836 -8.864 1.00 0.00 C ATOM 1099 O ASP A 73 -4.438 -3.038 -8.527 1.00 0.00 O ATOM 1100 CB ASP A 73 -6.377 -5.521 -7.357 1.00 0.00 C ATOM 1101 CG ASP A 73 -6.626 -7.021 -7.218 1.00 0.00 C ATOM 1102 OD1 ASP A 73 -5.825 -7.681 -6.576 1.00 0.00 O ATOM 1103 OD2 ASP A 73 -7.615 -7.489 -7.757 1.00 0.00 O ATOM 0 H ASP A 73 -3.925 -5.421 -6.756 1.00 0.00 H new ATOM 0 HA ASP A 73 -5.402 -5.967 -9.208 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -6.102 -5.097 -6.391 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -7.290 -5.019 -7.678 1.00 0.00 H new ATOM 1108 N PHE A 74 -6.320 -3.497 -9.665 1.00 0.00 N ATOM 1109 CA PHE A 74 -6.422 -2.128 -10.179 1.00 0.00 C ATOM 1110 C PHE A 74 -6.499 -1.117 -9.030 1.00 0.00 C ATOM 1111 O PHE A 74 -6.013 0.010 -9.154 1.00 0.00 O ATOM 1112 CB PHE A 74 -7.634 -1.962 -11.098 1.00 0.00 C ATOM 1113 CG PHE A 74 -7.466 -0.710 -11.922 1.00 0.00 C ATOM 1114 CD1 PHE A 74 -6.244 -0.445 -12.548 1.00 0.00 C ATOM 1115 CD2 PHE A 74 -8.531 0.184 -12.059 1.00 0.00 C ATOM 1116 CE1 PHE A 74 -6.088 0.715 -13.312 1.00 0.00 C ATOM 1117 CE2 PHE A 74 -8.374 1.345 -12.823 1.00 0.00 C ATOM 1118 CZ PHE A 74 -7.153 1.611 -13.448 1.00 0.00 C ATOM 0 H PHE A 74 -7.061 -4.130 -9.967 1.00 0.00 H new ATOM 0 HA PHE A 74 -5.521 -1.935 -10.762 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -7.732 -2.830 -11.750 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -8.548 -1.902 -10.507 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -5.421 -1.136 -12.441 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -9.475 -0.021 -11.575 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -5.145 0.919 -13.797 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -9.197 2.036 -12.930 1.00 0.00 H new ATOM 0 HZ PHE A 74 -7.032 2.509 -14.036 1.00 0.00 H new ATOM 1128 N ASP A 75 -7.089 -1.536 -7.903 1.00 0.00 N ATOM 1129 CA ASP A 75 -7.189 -0.662 -6.733 1.00 0.00 C ATOM 1130 C ASP A 75 -5.793 -0.432 -6.150 1.00 0.00 C ATOM 1131 O ASP A 75 -5.406 0.701 -5.864 1.00 0.00 O ATOM 1132 CB ASP A 75 -8.087 -1.285 -5.654 1.00 0.00 C ATOM 1133 CG ASP A 75 -9.495 -1.496 -6.205 1.00 0.00 C ATOM 1134 OD1 ASP A 75 -10.293 -0.578 -6.109 1.00 0.00 O ATOM 1135 OD2 ASP A 75 -9.757 -2.575 -6.713 1.00 0.00 O ATOM 0 H ASP A 75 -7.498 -2.462 -7.779 1.00 0.00 H new ATOM 0 HA ASP A 75 -7.628 0.284 -7.049 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -7.669 -2.237 -5.327 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -8.123 -0.635 -4.780 1.00 0.00 H new ATOM 1140 N GLU A 76 -5.040 -1.531 -5.999 1.00 0.00 N ATOM 1141 CA GLU A 76 -3.673 -1.464 -5.468 1.00 0.00 C ATOM 1142 C GLU A 76 -2.742 -0.766 -6.468 1.00 0.00 C ATOM 1143 O GLU A 76 -1.798 -0.077 -6.079 1.00 0.00 O ATOM 1144 CB GLU A 76 -3.128 -2.875 -5.196 1.00 0.00 C ATOM 1145 CG GLU A 76 -4.079 -3.638 -4.262 1.00 0.00 C ATOM 1146 CD GLU A 76 -3.730 -5.131 -4.258 1.00 0.00 C ATOM 1147 OE1 GLU A 76 -2.566 -5.454 -4.088 1.00 0.00 O ATOM 1148 OE2 GLU A 76 -4.635 -5.930 -4.426 1.00 0.00 O ATOM 0 H GLU A 76 -5.353 -2.472 -6.236 1.00 0.00 H new ATOM 0 HA GLU A 76 -3.707 -0.898 -4.537 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -3.016 -3.417 -6.135 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -2.138 -2.810 -4.745 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.007 -3.237 -3.251 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.110 -3.499 -4.587 1.00 0.00 H new ATOM 1155 N PHE A 77 -3.025 -0.967 -7.761 1.00 0.00 N ATOM 1156 CA PHE A 77 -2.225 -0.374 -8.836 1.00 0.00 C ATOM 1157 C PHE A 77 -2.264 1.152 -8.760 1.00 0.00 C ATOM 1158 O PHE A 77 -1.223 1.810 -8.715 1.00 0.00 O ATOM 1159 CB PHE A 77 -2.777 -0.827 -10.198 1.00 0.00 C ATOM 1160 CG PHE A 77 -1.681 -0.968 -11.236 1.00 0.00 C ATOM 1161 CD1 PHE A 77 -0.328 -1.109 -10.872 1.00 0.00 C ATOM 1162 CD2 PHE A 77 -2.040 -0.968 -12.587 1.00 0.00 C ATOM 1163 CE1 PHE A 77 0.648 -1.243 -11.865 1.00 0.00 C ATOM 1164 CE2 PHE A 77 -1.063 -1.105 -13.572 1.00 0.00 C ATOM 1165 CZ PHE A 77 0.279 -1.241 -13.214 1.00 0.00 C ATOM 0 H PHE A 77 -3.805 -1.538 -8.087 1.00 0.00 H new ATOM 0 HA PHE A 77 -1.193 -0.706 -8.723 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -3.291 -1.781 -10.082 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -3.517 -0.107 -10.547 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -0.045 -1.114 -9.830 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.077 -0.862 -12.869 1.00 0.00 H new ATOM 0 HE1 PHE A 77 1.687 -1.348 -11.590 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -1.345 -1.106 -14.614 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.034 -1.345 -13.980 1.00 0.00 H new ATOM 1175 N LEU A 78 -3.483 1.703 -8.744 1.00 0.00 N ATOM 1176 CA LEU A 78 -3.664 3.155 -8.669 1.00 0.00 C ATOM 1177 C LEU A 78 -3.252 3.683 -7.289 1.00 0.00 C ATOM 1178 O LEU A 78 -2.781 4.816 -7.166 1.00 0.00 O ATOM 1179 CB LEU A 78 -5.128 3.532 -8.942 1.00 0.00 C ATOM 1180 CG LEU A 78 -5.489 3.762 -10.419 1.00 0.00 C ATOM 1181 CD1 LEU A 78 -4.844 2.685 -11.294 1.00 0.00 C ATOM 1182 CD2 LEU A 78 -7.010 3.704 -10.584 1.00 0.00 C ATOM 0 H LEU A 78 -4.352 1.170 -8.782 1.00 0.00 H new ATOM 0 HA LEU A 78 -3.029 3.610 -9.429 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -5.768 2.742 -8.549 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -5.361 4.439 -8.384 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.119 4.740 -10.727 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -5.107 2.858 -12.338 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -3.761 2.725 -11.181 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -5.205 1.703 -10.987 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -7.269 3.867 -11.630 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -7.373 2.726 -10.268 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -7.472 4.478 -9.971 1.00 0.00 H new ATOM 1194 N VAL A 79 -3.421 2.844 -6.257 1.00 0.00 N ATOM 1195 CA VAL A 79 -3.050 3.224 -4.890 1.00 0.00 C ATOM 1196 C VAL A 79 -1.551 3.548 -4.826 1.00 0.00 C ATOM 1197 O VAL A 79 -1.153 4.578 -4.286 1.00 0.00 O ATOM 1198 CB VAL A 79 -3.392 2.085 -3.909 1.00 0.00 C ATOM 1199 CG1 VAL A 79 -2.421 2.080 -2.726 1.00 0.00 C ATOM 1200 CG2 VAL A 79 -4.820 2.277 -3.392 1.00 0.00 C ATOM 0 H VAL A 79 -3.809 1.905 -6.343 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.615 4.111 -4.604 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.307 1.133 -4.433 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -2.680 1.269 -2.046 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.404 1.937 -3.091 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -2.486 3.031 -2.198 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -5.067 1.474 -2.698 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.895 3.236 -2.879 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.516 2.258 -4.231 1.00 0.00 H new ATOM 1210 N MET A 80 -0.735 2.653 -5.394 1.00 0.00 N ATOM 1211 CA MET A 80 0.723 2.837 -5.420 1.00 0.00 C ATOM 1212 C MET A 80 1.103 4.232 -5.938 1.00 0.00 C ATOM 1213 O MET A 80 2.135 4.784 -5.552 1.00 0.00 O ATOM 1214 CB MET A 80 1.369 1.783 -6.325 1.00 0.00 C ATOM 1215 CG MET A 80 2.524 1.104 -5.586 1.00 0.00 C ATOM 1216 SD MET A 80 3.023 -0.387 -6.482 1.00 0.00 S ATOM 1217 CE MET A 80 3.922 0.434 -7.821 1.00 0.00 C ATOM 0 H MET A 80 -1.057 1.795 -5.842 1.00 0.00 H new ATOM 0 HA MET A 80 1.086 2.730 -4.398 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.628 1.041 -6.621 1.00 0.00 H new ATOM 0 HB3 MET A 80 1.735 2.250 -7.239 1.00 0.00 H new ATOM 0 HG2 MET A 80 3.368 1.789 -5.501 1.00 0.00 H new ATOM 0 HG3 MET A 80 2.219 0.846 -4.572 1.00 0.00 H new ATOM 0 HE1 MET A 80 4.702 -0.229 -8.196 1.00 0.00 H new ATOM 0 HE2 MET A 80 3.231 0.674 -8.629 1.00 0.00 H new ATOM 0 HE3 MET A 80 4.375 1.352 -7.446 1.00 0.00 H new ATOM 1227 N MET A 81 0.262 4.788 -6.819 1.00 0.00 N ATOM 1228 CA MET A 81 0.515 6.114 -7.394 1.00 0.00 C ATOM 1229 C MET A 81 0.278 7.229 -6.367 1.00 0.00 C ATOM 1230 O MET A 81 1.063 8.174 -6.277 1.00 0.00 O ATOM 1231 CB MET A 81 -0.404 6.346 -8.598 1.00 0.00 C ATOM 1232 CG MET A 81 0.145 7.486 -9.463 1.00 0.00 C ATOM 1233 SD MET A 81 -1.192 8.644 -9.858 1.00 0.00 S ATOM 1234 CE MET A 81 -2.269 7.479 -10.732 1.00 0.00 C ATOM 0 H MET A 81 -0.595 4.343 -7.147 1.00 0.00 H new ATOM 0 HA MET A 81 1.559 6.143 -7.705 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.480 5.434 -9.189 1.00 0.00 H new ATOM 0 HB3 MET A 81 -1.410 6.589 -8.257 1.00 0.00 H new ATOM 0 HG2 MET A 81 0.945 8.004 -8.935 1.00 0.00 H new ATOM 0 HG3 MET A 81 0.576 7.085 -10.380 1.00 0.00 H new ATOM 0 HE1 MET A 81 -3.311 7.757 -10.573 1.00 0.00 H new ATOM 0 HE2 MET A 81 -2.044 7.506 -11.798 1.00 0.00 H new ATOM 0 HE3 MET A 81 -2.101 6.472 -10.351 1.00 0.00 H new ATOM 1244 N VAL A 82 -0.819 7.122 -5.611 1.00 0.00 N ATOM 1245 CA VAL A 82 -1.146 8.149 -4.611 1.00 0.00 C ATOM 1246 C VAL A 82 -0.284 8.013 -3.353 1.00 0.00 C ATOM 1247 O VAL A 82 0.062 9.015 -2.728 1.00 0.00 O ATOM 1248 CB VAL A 82 -2.628 8.098 -4.213 1.00 0.00 C ATOM 1249 CG1 VAL A 82 -3.498 8.359 -5.443 1.00 0.00 C ATOM 1250 CG2 VAL A 82 -2.972 6.725 -3.627 1.00 0.00 C ATOM 0 H VAL A 82 -1.485 6.352 -5.668 1.00 0.00 H new ATOM 0 HA VAL A 82 -0.935 9.110 -5.080 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.818 8.863 -3.460 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -4.550 8.322 -5.159 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -3.266 9.343 -5.851 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -3.299 7.598 -6.197 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -4.026 6.702 -3.349 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -2.776 5.953 -4.371 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -2.359 6.542 -2.744 1.00 0.00 H new ATOM 1260 N ARG A 83 0.059 6.775 -2.981 1.00 0.00 N ATOM 1261 CA ARG A 83 0.883 6.555 -1.786 1.00 0.00 C ATOM 1262 C ARG A 83 2.331 6.986 -2.036 1.00 0.00 C ATOM 1263 O ARG A 83 2.989 7.514 -1.140 1.00 0.00 O ATOM 1264 CB ARG A 83 0.847 5.086 -1.330 1.00 0.00 C ATOM 1265 CG ARG A 83 1.299 4.157 -2.460 1.00 0.00 C ATOM 1266 CD ARG A 83 2.495 3.319 -1.997 1.00 0.00 C ATOM 1267 NE ARG A 83 3.719 3.721 -2.697 1.00 0.00 N ATOM 1268 CZ ARG A 83 4.921 3.238 -2.349 1.00 0.00 C ATOM 1269 NH1 ARG A 83 5.040 2.377 -1.367 1.00 0.00 N ATOM 1270 NH2 ARG A 83 5.987 3.631 -2.998 1.00 0.00 N ATOM 0 H ARG A 83 -0.214 5.926 -3.477 1.00 0.00 H new ATOM 0 HA ARG A 83 0.461 7.167 -0.989 1.00 0.00 H new ATOM 0 HB2 ARG A 83 1.494 4.953 -0.463 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -0.163 4.822 -1.017 1.00 0.00 H new ATOM 0 HG2 ARG A 83 0.478 3.503 -2.756 1.00 0.00 H new ATOM 0 HG3 ARG A 83 1.572 4.743 -3.338 1.00 0.00 H new ATOM 0 HD2 ARG A 83 2.631 3.436 -0.922 1.00 0.00 H new ATOM 0 HD3 ARG A 83 2.297 2.263 -2.180 1.00 0.00 H new ATOM 0 HE ARG A 83 3.655 4.385 -3.469 1.00 0.00 H new ATOM 0 HH11 ARG A 83 4.213 2.067 -0.858 1.00 0.00 H new ATOM 0 HH12 ARG A 83 5.960 2.018 -1.113 1.00 0.00 H new ATOM 0 HH21 ARG A 83 5.901 4.300 -3.763 1.00 0.00 H new ATOM 0 HH22 ARG A 83 6.904 3.268 -2.739 1.00 0.00 H new ATOM 1284 N CYS A 84 2.818 6.782 -3.268 1.00 0.00 N ATOM 1285 CA CYS A 84 4.186 7.187 -3.606 1.00 0.00 C ATOM 1286 C CYS A 84 4.295 8.716 -3.605 1.00 0.00 C ATOM 1287 O CYS A 84 5.357 9.272 -3.322 1.00 0.00 O ATOM 1288 CB CYS A 84 4.611 6.632 -4.975 1.00 0.00 C ATOM 1289 SG CYS A 84 3.941 7.656 -6.311 1.00 0.00 S ATOM 0 H CYS A 84 2.297 6.349 -4.031 1.00 0.00 H new ATOM 0 HA CYS A 84 4.856 6.775 -2.851 1.00 0.00 H new ATOM 0 HB2 CYS A 84 5.699 6.604 -5.041 1.00 0.00 H new ATOM 0 HB3 CYS A 84 4.259 5.606 -5.083 1.00 0.00 H new ATOM 0 HG CYS A 84 2.678 7.878 -6.096 1.00 0.00 H new ATOM 1295 N MET A 85 3.173 9.389 -3.906 1.00 0.00 N ATOM 1296 CA MET A 85 3.140 10.850 -3.917 1.00 0.00 C ATOM 1297 C MET A 85 2.909 11.371 -2.498 1.00 0.00 C ATOM 1298 O MET A 85 3.666 12.206 -1.999 1.00 0.00 O ATOM 1299 CB MET A 85 2.021 11.357 -4.834 1.00 0.00 C ATOM 1300 CG MET A 85 2.324 12.792 -5.271 1.00 0.00 C ATOM 1301 SD MET A 85 1.957 12.977 -7.035 1.00 0.00 S ATOM 1302 CE MET A 85 0.163 12.781 -6.920 1.00 0.00 C ATOM 0 H MET A 85 2.286 8.944 -4.142 1.00 0.00 H new ATOM 0 HA MET A 85 4.096 11.216 -4.293 1.00 0.00 H new ATOM 0 HB2 MET A 85 1.933 10.711 -5.708 1.00 0.00 H new ATOM 0 HB3 MET A 85 1.065 11.320 -4.312 1.00 0.00 H new ATOM 0 HG2 MET A 85 1.727 13.494 -4.689 1.00 0.00 H new ATOM 0 HG3 MET A 85 3.371 13.028 -5.080 1.00 0.00 H new ATOM 0 HE1 MET A 85 -0.299 13.104 -7.853 1.00 0.00 H new ATOM 0 HE2 MET A 85 -0.078 11.733 -6.739 1.00 0.00 H new ATOM 0 HE3 MET A 85 -0.217 13.388 -6.098 1.00 0.00 H new ATOM 1312 N LYS A 86 1.859 10.851 -1.851 1.00 0.00 N ATOM 1313 CA LYS A 86 1.533 11.248 -0.480 1.00 0.00 C ATOM 1314 C LYS A 86 1.393 10.011 0.404 1.00 0.00 C ATOM 1315 O LYS A 86 0.565 9.136 0.147 1.00 0.00 O ATOM 1316 CB LYS A 86 0.228 12.042 -0.435 1.00 0.00 C ATOM 1317 CG LYS A 86 0.123 12.794 0.896 1.00 0.00 C ATOM 1318 CD LYS A 86 -0.919 12.116 1.789 1.00 0.00 C ATOM 1319 CE LYS A 86 -0.822 12.677 3.210 1.00 0.00 C ATOM 1320 NZ LYS A 86 -2.063 12.340 3.967 1.00 0.00 N ATOM 0 H LYS A 86 1.226 10.160 -2.253 1.00 0.00 H new ATOM 0 HA LYS A 86 2.343 11.878 -0.112 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.192 12.747 -1.265 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -0.622 11.369 -0.551 1.00 0.00 H new ATOM 0 HG2 LYS A 86 1.092 12.806 1.395 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -0.157 13.832 0.717 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -1.919 12.283 1.389 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -0.756 11.038 1.801 1.00 0.00 H new ATOM 0 HE2 LYS A 86 0.049 12.262 3.717 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -0.687 13.758 3.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -1.995 12.722 4.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -2.886 12.756 3.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -2.173 11.307 4.010 1.00 0.00 H new ATOM 1334 N ASP A 87 2.219 9.958 1.445 1.00 0.00 N ATOM 1335 CA ASP A 87 2.210 8.829 2.381 1.00 0.00 C ATOM 1336 C ASP A 87 3.197 9.089 3.519 1.00 0.00 C ATOM 1337 O ASP A 87 2.906 8.816 4.685 1.00 0.00 O ATOM 1338 CB ASP A 87 2.601 7.529 1.659 1.00 0.00 C ATOM 1339 CG ASP A 87 2.559 6.343 2.624 1.00 0.00 C ATOM 1340 OD1 ASP A 87 3.528 6.146 3.339 1.00 0.00 O ATOM 1341 OD2 ASP A 87 1.561 5.640 2.623 1.00 0.00 O ATOM 0 H ASP A 87 2.904 10.681 1.665 1.00 0.00 H new ATOM 0 HA ASP A 87 1.203 8.724 2.785 1.00 0.00 H new ATOM 0 HB2 ASP A 87 1.921 7.351 0.826 1.00 0.00 H new ATOM 0 HB3 ASP A 87 3.602 7.627 1.238 1.00 0.00 H new ATOM 1346 N ASP A 88 4.365 9.625 3.159 1.00 0.00 N ATOM 1347 CA ASP A 88 5.401 9.929 4.144 1.00 0.00 C ATOM 1348 C ASP A 88 5.379 11.415 4.498 1.00 0.00 C ATOM 1349 O ASP A 88 5.311 11.783 5.672 1.00 0.00 O ATOM 1350 CB ASP A 88 6.787 9.558 3.601 1.00 0.00 C ATOM 1351 CG ASP A 88 7.620 8.927 4.714 1.00 0.00 C ATOM 1352 OD1 ASP A 88 8.241 9.669 5.457 1.00 0.00 O ATOM 1353 OD2 ASP A 88 7.624 7.710 4.807 1.00 0.00 O ATOM 0 H ASP A 88 4.615 9.856 2.197 1.00 0.00 H new ATOM 0 HA ASP A 88 5.198 9.341 5.039 1.00 0.00 H new ATOM 0 HB2 ASP A 88 6.688 8.862 2.768 1.00 0.00 H new ATOM 0 HB3 ASP A 88 7.288 10.446 3.217 1.00 0.00 H new ATOM 1358 N SER A 89 5.437 12.263 3.465 1.00 0.00 N ATOM 1359 CA SER A 89 5.422 13.713 3.667 1.00 0.00 C ATOM 1360 C SER A 89 4.192 14.337 3.005 1.00 0.00 C ATOM 1361 O SER A 89 3.536 15.133 3.656 1.00 0.00 O ATOM 1362 CB SER A 89 6.686 14.349 3.084 1.00 0.00 C ATOM 1363 OG SER A 89 6.950 15.571 3.761 1.00 0.00 O ATOM 1364 OXT SER A 89 3.923 14.011 1.858 1.00 0.00 O ATOM 0 H SER A 89 5.494 11.972 2.489 1.00 0.00 H new ATOM 0 HA SER A 89 5.386 13.901 4.740 1.00 0.00 H new ATOM 0 HB2 SER A 89 7.532 13.670 3.191 1.00 0.00 H new ATOM 0 HB3 SER A 89 6.557 14.531 2.017 1.00 0.00 H new ATOM 0 HG SER A 89 7.760 15.981 3.392 1.00 0.00 H new TER 1370 SER A 89 HETATM 1371 CA CA A 90 -3.067 -8.261 -4.087 1.00 0.00 CA