USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=16 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 69 SER OG : rot -89:sc= 1.25 USER MOD Set 1.2: A 71 THR OG1 : rot -53:sc= 0.404 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= -0.0134 X(o=-0.013,f=0) USER MOD Single : A 5 TYR OH : rot 27:sc= -1.27 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.189 K(o=-0.19,f=-1.7!) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0772 USER MOD Single : A 16 GLN : amide:sc= -0.0056 X(o=-0.0056,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -0.0707 K(o=-0.071,f=-2!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 CYS SG : rot -18:sc= -0.757 USER MOD Single : A 37 SER OG : rot 170:sc= -0.931 USER MOD Single : A 38 THR OG1 : rot 140:sc= -0.104 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl 177:sc= -0.0479 (180deg=-0.055) USER MOD Single : A 47 MET CE :methyl -127:sc= -1.19 (180deg=-2.73!) USER MOD Single : A 50 GLN : amide:sc= -0.0551 X(o=-0.055,f=-0.16) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.488 USER MOD Single : A 58 GLN : amide:sc= -0.348 X(o=-0.35,f=-0.14) USER MOD Single : A 60 MET CE :methyl -115:sc= -1.05 (180deg=-2.46!) USER MOD Single : A 80 MET CE :methyl -117:sc= -1.44 (180deg=-3.53!) USER MOD Single : A 81 MET CE :methyl 147:sc= -1.02 (180deg=-3.43!) USER MOD Single : A 84 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ -160:sc= -1.24 (180deg=-1.4) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.815 7.620 10.666 1.00 0.00 N ATOM 2 CA MET A 1 -5.127 7.390 9.987 1.00 0.00 C ATOM 3 C MET A 1 -4.916 7.276 8.475 1.00 0.00 C ATOM 4 O MET A 1 -5.249 6.254 7.870 1.00 0.00 O ATOM 5 CB MET A 1 -6.073 8.558 10.288 1.00 0.00 C ATOM 6 CG MET A 1 -6.815 8.297 11.602 1.00 0.00 C ATOM 7 SD MET A 1 -8.315 7.339 11.271 1.00 0.00 S ATOM 8 CE MET A 1 -9.497 8.703 11.408 1.00 0.00 C ATOM 0 H1 MET A 1 -3.964 7.697 11.692 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.177 6.823 10.467 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.390 8.500 10.311 1.00 0.00 H new ATOM 0 HA MET A 1 -5.565 6.464 10.358 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.508 9.488 10.357 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.787 8.679 9.474 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.170 7.755 12.294 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.073 9.242 12.080 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.506 8.329 11.236 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.436 9.138 12.406 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.261 9.465 10.665 1.00 0.00 H new ATOM 20 N ASN A 2 -4.359 8.338 7.877 1.00 0.00 N ATOM 21 CA ASN A 2 -4.096 8.369 6.431 1.00 0.00 C ATOM 22 C ASN A 2 -5.387 8.156 5.633 1.00 0.00 C ATOM 23 O ASN A 2 -5.610 7.094 5.045 1.00 0.00 O ATOM 24 CB ASN A 2 -3.069 7.297 6.038 1.00 0.00 C ATOM 25 CG ASN A 2 -1.684 7.711 6.528 1.00 0.00 C ATOM 26 OD1 ASN A 2 -1.122 7.079 7.422 1.00 0.00 O ATOM 27 ND2 ASN A 2 -1.092 8.745 5.990 1.00 0.00 N ATOM 0 H ASN A 2 -4.082 9.186 8.371 1.00 0.00 H new ATOM 0 HA ASN A 2 -3.692 9.353 6.194 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -3.347 6.336 6.471 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -3.059 7.168 4.956 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -0.166 9.027 6.311 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -1.556 9.270 5.249 1.00 0.00 H new ATOM 34 N ASP A 3 -6.231 9.189 5.619 1.00 0.00 N ATOM 35 CA ASP A 3 -7.501 9.126 4.890 1.00 0.00 C ATOM 36 C ASP A 3 -7.374 9.778 3.509 1.00 0.00 C ATOM 37 O ASP A 3 -8.125 9.449 2.588 1.00 0.00 O ATOM 38 CB ASP A 3 -8.609 9.833 5.678 1.00 0.00 C ATOM 39 CG ASP A 3 -9.139 8.900 6.764 1.00 0.00 C ATOM 40 OD1 ASP A 3 -8.556 8.878 7.836 1.00 0.00 O ATOM 41 OD2 ASP A 3 -10.120 8.221 6.508 1.00 0.00 O ATOM 0 H ASP A 3 -6.061 10.073 6.099 1.00 0.00 H new ATOM 0 HA ASP A 3 -7.757 8.074 4.765 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -8.223 10.748 6.127 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -9.418 10.124 5.007 1.00 0.00 H new ATOM 46 N ILE A 4 -6.417 10.708 3.377 1.00 0.00 N ATOM 47 CA ILE A 4 -6.193 11.408 2.102 1.00 0.00 C ATOM 48 C ILE A 4 -5.895 10.424 0.963 1.00 0.00 C ATOM 49 O ILE A 4 -6.201 10.702 -0.199 1.00 0.00 O ATOM 50 CB ILE A 4 -5.034 12.413 2.221 1.00 0.00 C ATOM 51 CG1 ILE A 4 -3.777 11.712 2.757 1.00 0.00 C ATOM 52 CG2 ILE A 4 -5.430 13.542 3.174 1.00 0.00 C ATOM 53 CD1 ILE A 4 -2.900 11.273 1.585 1.00 0.00 C ATOM 0 H ILE A 4 -5.790 10.992 4.130 1.00 0.00 H new ATOM 0 HA ILE A 4 -7.113 11.944 1.869 1.00 0.00 H new ATOM 0 HB ILE A 4 -4.820 12.823 1.234 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -3.221 12.386 3.408 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -4.058 10.848 3.359 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -4.608 14.253 3.257 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -6.313 14.051 2.788 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -5.652 13.127 4.157 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -2.008 10.775 1.965 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -3.458 10.584 0.951 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -2.608 12.146 1.002 1.00 0.00 H new ATOM 65 N TYR A 5 -5.301 9.273 1.307 1.00 0.00 N ATOM 66 CA TYR A 5 -4.973 8.248 0.305 1.00 0.00 C ATOM 67 C TYR A 5 -6.223 7.837 -0.479 1.00 0.00 C ATOM 68 O TYR A 5 -6.175 7.652 -1.697 1.00 0.00 O ATOM 69 CB TYR A 5 -4.394 7.001 0.984 1.00 0.00 C ATOM 70 CG TYR A 5 -2.920 7.195 1.255 1.00 0.00 C ATOM 71 CD1 TYR A 5 -2.499 8.121 2.217 1.00 0.00 C ATOM 72 CD2 TYR A 5 -1.972 6.445 0.547 1.00 0.00 C ATOM 73 CE1 TYR A 5 -1.136 8.298 2.470 1.00 0.00 C ATOM 74 CE2 TYR A 5 -0.608 6.620 0.803 1.00 0.00 C ATOM 75 CZ TYR A 5 -0.189 7.547 1.763 1.00 0.00 C ATOM 76 OH TYR A 5 1.157 7.716 2.017 1.00 0.00 O ATOM 0 H TYR A 5 -5.040 9.029 2.262 1.00 0.00 H new ATOM 0 HA TYR A 5 -4.237 8.676 -0.376 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -4.921 6.808 1.918 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -4.543 6.129 0.348 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -3.229 8.699 2.764 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -2.294 5.731 -0.197 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -0.813 9.014 3.211 1.00 0.00 H new ATOM 0 HE2 TYR A 5 0.122 6.039 0.259 1.00 0.00 H new ATOM 0 HH TYR A 5 1.280 8.027 2.938 1.00 0.00 H new ATOM 86 N LYS A 6 -7.338 7.698 0.242 1.00 0.00 N ATOM 87 CA LYS A 6 -8.610 7.307 -0.375 1.00 0.00 C ATOM 88 C LYS A 6 -9.306 8.507 -1.026 1.00 0.00 C ATOM 89 O LYS A 6 -10.128 8.342 -1.929 1.00 0.00 O ATOM 90 CB LYS A 6 -9.547 6.694 0.673 1.00 0.00 C ATOM 91 CG LYS A 6 -9.451 5.165 0.622 1.00 0.00 C ATOM 92 CD LYS A 6 -8.152 4.704 1.290 1.00 0.00 C ATOM 93 CE LYS A 6 -8.407 4.409 2.772 1.00 0.00 C ATOM 94 NZ LYS A 6 -7.472 3.345 3.238 1.00 0.00 N ATOM 0 H LYS A 6 -7.387 7.849 1.249 1.00 0.00 H new ATOM 0 HA LYS A 6 -8.385 6.570 -1.146 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -9.280 7.052 1.667 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -10.573 7.010 0.486 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -10.308 4.721 1.128 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -9.479 4.824 -0.413 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -7.773 3.812 0.792 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -7.387 5.474 1.189 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -8.267 5.314 3.363 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -9.439 4.090 2.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -7.646 3.146 4.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -7.626 2.480 2.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -6.491 3.666 3.114 1.00 0.00 H new ATOM 108 N ALA A 7 -8.974 9.715 -0.561 1.00 0.00 N ATOM 109 CA ALA A 7 -9.577 10.932 -1.108 1.00 0.00 C ATOM 110 C ALA A 7 -9.102 11.184 -2.543 1.00 0.00 C ATOM 111 O ALA A 7 -9.864 11.675 -3.376 1.00 0.00 O ATOM 112 CB ALA A 7 -9.211 12.142 -0.245 1.00 0.00 C ATOM 0 H ALA A 7 -8.298 9.875 0.186 1.00 0.00 H new ATOM 0 HA ALA A 7 -10.658 10.793 -1.109 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.667 13.039 -0.664 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -9.578 11.989 0.770 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -8.128 12.260 -0.225 1.00 0.00 H new ATOM 118 N ALA A 8 -7.837 10.843 -2.823 1.00 0.00 N ATOM 119 CA ALA A 8 -7.271 11.042 -4.159 1.00 0.00 C ATOM 120 C ALA A 8 -7.821 10.015 -5.143 1.00 0.00 C ATOM 121 O ALA A 8 -8.202 10.358 -6.261 1.00 0.00 O ATOM 122 CB ALA A 8 -5.751 10.921 -4.120 1.00 0.00 C ATOM 0 H ALA A 8 -7.193 10.432 -2.147 1.00 0.00 H new ATOM 0 HA ALA A 8 -7.552 12.042 -4.488 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.348 11.072 -5.122 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -5.343 11.676 -3.447 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -5.474 9.929 -3.763 1.00 0.00 H new ATOM 128 N VAL A 9 -7.859 8.749 -4.713 1.00 0.00 N ATOM 129 CA VAL A 9 -8.372 7.675 -5.569 1.00 0.00 C ATOM 130 C VAL A 9 -9.865 7.882 -5.869 1.00 0.00 C ATOM 131 O VAL A 9 -10.383 7.378 -6.867 1.00 0.00 O ATOM 132 CB VAL A 9 -8.153 6.305 -4.905 1.00 0.00 C ATOM 133 CG1 VAL A 9 -9.077 6.144 -3.694 1.00 0.00 C ATOM 134 CG2 VAL A 9 -8.444 5.192 -5.917 1.00 0.00 C ATOM 0 H VAL A 9 -7.545 8.446 -3.791 1.00 0.00 H new ATOM 0 HA VAL A 9 -7.822 7.702 -6.510 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.117 6.239 -4.571 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -8.910 5.169 -3.236 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -8.864 6.928 -2.967 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -10.116 6.220 -4.016 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -8.288 4.222 -5.445 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -9.477 5.269 -6.256 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -7.774 5.292 -6.771 1.00 0.00 H new ATOM 144 N GLU A 10 -10.546 8.639 -5.000 1.00 0.00 N ATOM 145 CA GLU A 10 -11.969 8.918 -5.188 1.00 0.00 C ATOM 146 C GLU A 10 -12.184 10.069 -6.179 1.00 0.00 C ATOM 147 O GLU A 10 -13.279 10.225 -6.725 1.00 0.00 O ATOM 148 CB GLU A 10 -12.626 9.283 -3.853 1.00 0.00 C ATOM 149 CG GLU A 10 -13.100 8.008 -3.152 1.00 0.00 C ATOM 150 CD GLU A 10 -13.662 8.361 -1.777 1.00 0.00 C ATOM 151 OE1 GLU A 10 -12.884 8.425 -0.837 1.00 0.00 O ATOM 152 OE2 GLU A 10 -14.863 8.561 -1.683 1.00 0.00 O ATOM 0 H GLU A 10 -10.137 9.064 -4.168 1.00 0.00 H new ATOM 0 HA GLU A 10 -12.427 8.014 -5.589 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -11.917 9.816 -3.220 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -13.469 9.953 -4.022 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -13.863 7.513 -3.752 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -12.271 7.308 -3.049 1.00 0.00 H new ATOM 159 N GLN A 11 -11.136 10.874 -6.409 1.00 0.00 N ATOM 160 CA GLN A 11 -11.243 12.004 -7.337 1.00 0.00 C ATOM 161 C GLN A 11 -10.038 12.058 -8.287 1.00 0.00 C ATOM 162 O GLN A 11 -9.626 13.135 -8.730 1.00 0.00 O ATOM 163 CB GLN A 11 -11.352 13.325 -6.559 1.00 0.00 C ATOM 164 CG GLN A 11 -10.053 13.595 -5.783 1.00 0.00 C ATOM 165 CD GLN A 11 -10.353 14.418 -4.527 1.00 0.00 C ATOM 166 OE1 GLN A 11 -11.447 14.964 -4.373 1.00 0.00 O ATOM 167 NE2 GLN A 11 -9.432 14.542 -3.609 1.00 0.00 N ATOM 0 H GLN A 11 -10.221 10.765 -5.972 1.00 0.00 H new ATOM 0 HA GLN A 11 -12.144 11.862 -7.933 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -11.549 14.146 -7.248 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -12.194 13.280 -5.868 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -9.583 12.652 -5.506 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -9.346 14.129 -6.417 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -8.525 14.092 -3.732 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -9.620 15.089 -2.769 1.00 0.00 H new ATOM 176 N LEU A 12 -9.481 10.883 -8.602 1.00 0.00 N ATOM 177 CA LEU A 12 -8.325 10.808 -9.508 1.00 0.00 C ATOM 178 C LEU A 12 -8.724 11.209 -10.930 1.00 0.00 C ATOM 179 O LEU A 12 -9.904 11.408 -11.227 1.00 0.00 O ATOM 180 CB LEU A 12 -7.721 9.391 -9.535 1.00 0.00 C ATOM 181 CG LEU A 12 -8.707 8.224 -9.370 1.00 0.00 C ATOM 182 CD1 LEU A 12 -9.900 8.399 -10.314 1.00 0.00 C ATOM 183 CD2 LEU A 12 -7.993 6.911 -9.694 1.00 0.00 C ATOM 0 H LEU A 12 -9.805 9.982 -8.250 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.575 11.503 -9.129 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.195 9.262 -10.481 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -6.975 9.323 -8.743 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.069 8.207 -8.342 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -10.590 7.565 -10.186 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -10.413 9.333 -10.083 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -9.547 8.424 -11.345 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -8.689 6.080 -9.578 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -7.629 6.939 -10.721 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -7.152 6.777 -9.014 1.00 0.00 H new ATOM 195 N THR A 13 -7.723 11.326 -11.808 1.00 0.00 N ATOM 196 CA THR A 13 -7.977 11.705 -13.197 1.00 0.00 C ATOM 197 C THR A 13 -8.079 10.469 -14.082 1.00 0.00 C ATOM 198 O THR A 13 -7.637 9.378 -13.713 1.00 0.00 O ATOM 199 CB THR A 13 -6.855 12.601 -13.743 1.00 0.00 C ATOM 200 OG1 THR A 13 -5.662 12.393 -13.001 1.00 0.00 O ATOM 201 CG2 THR A 13 -7.272 14.069 -13.649 1.00 0.00 C ATOM 0 H THR A 13 -6.741 11.165 -11.583 1.00 0.00 H new ATOM 0 HA THR A 13 -8.919 12.253 -13.212 1.00 0.00 H new ATOM 0 HB THR A 13 -6.674 12.345 -14.787 1.00 0.00 H new ATOM 0 HG1 THR A 13 -4.951 12.967 -13.356 1.00 0.00 H new ATOM 0 HG21 THR A 13 -6.473 14.700 -14.038 1.00 0.00 H new ATOM 0 HG22 THR A 13 -8.177 14.228 -14.235 1.00 0.00 H new ATOM 0 HG23 THR A 13 -7.464 14.327 -12.607 1.00 0.00 H new ATOM 209 N ASP A 14 -8.648 10.666 -15.270 1.00 0.00 N ATOM 210 CA ASP A 14 -8.791 9.577 -16.234 1.00 0.00 C ATOM 211 C ASP A 14 -7.421 9.182 -16.785 1.00 0.00 C ATOM 212 O ASP A 14 -7.185 8.019 -17.116 1.00 0.00 O ATOM 213 CB ASP A 14 -9.686 10.004 -17.398 1.00 0.00 C ATOM 214 CG ASP A 14 -10.294 8.769 -18.059 1.00 0.00 C ATOM 215 OD1 ASP A 14 -11.235 8.225 -17.503 1.00 0.00 O ATOM 216 OD2 ASP A 14 -9.809 8.384 -19.110 1.00 0.00 O ATOM 0 H ASP A 14 -9.015 11.563 -15.587 1.00 0.00 H new ATOM 0 HA ASP A 14 -9.244 8.728 -15.722 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -10.477 10.663 -17.039 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -9.106 10.570 -18.127 1.00 0.00 H new ATOM 221 N GLU A 15 -6.518 10.169 -16.867 1.00 0.00 N ATOM 222 CA GLU A 15 -5.165 9.921 -17.367 1.00 0.00 C ATOM 223 C GLU A 15 -4.395 9.029 -16.397 1.00 0.00 C ATOM 224 O GLU A 15 -3.634 8.157 -16.815 1.00 0.00 O ATOM 225 CB GLU A 15 -4.404 11.239 -17.545 1.00 0.00 C ATOM 226 CG GLU A 15 -4.579 11.744 -18.979 1.00 0.00 C ATOM 227 CD GLU A 15 -3.520 12.799 -19.284 1.00 0.00 C ATOM 228 OE1 GLU A 15 -2.442 12.422 -19.717 1.00 0.00 O ATOM 229 OE2 GLU A 15 -3.801 13.970 -19.080 1.00 0.00 O ATOM 0 H GLU A 15 -6.700 11.135 -16.596 1.00 0.00 H new ATOM 0 HA GLU A 15 -5.251 9.422 -18.332 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.774 11.983 -16.839 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.346 11.092 -17.327 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.492 10.914 -19.680 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -5.575 12.167 -19.107 1.00 0.00 H new ATOM 236 N GLN A 16 -4.616 9.253 -15.095 1.00 0.00 N ATOM 237 CA GLN A 16 -3.952 8.463 -14.054 1.00 0.00 C ATOM 238 C GLN A 16 -4.315 6.987 -14.193 1.00 0.00 C ATOM 239 O GLN A 16 -3.458 6.107 -14.080 1.00 0.00 O ATOM 240 CB GLN A 16 -4.379 8.944 -12.665 1.00 0.00 C ATOM 241 CG GLN A 16 -3.230 9.709 -12.007 1.00 0.00 C ATOM 242 CD GLN A 16 -3.756 10.479 -10.798 1.00 0.00 C ATOM 243 OE1 GLN A 16 -3.484 11.670 -10.649 1.00 0.00 O ATOM 244 NE2 GLN A 16 -4.502 9.866 -9.917 1.00 0.00 N ATOM 0 H GLN A 16 -5.247 9.972 -14.740 1.00 0.00 H new ATOM 0 HA GLN A 16 -2.876 8.589 -14.172 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -5.256 9.586 -12.746 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -4.663 8.093 -12.046 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -2.448 9.016 -11.698 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -2.781 10.398 -12.723 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -4.728 8.879 -10.039 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -4.858 10.375 -9.108 1.00 0.00 H new ATOM 253 N LYS A 17 -5.601 6.734 -14.446 1.00 0.00 N ATOM 254 CA LYS A 17 -6.093 5.367 -14.610 1.00 0.00 C ATOM 255 C LYS A 17 -5.519 4.741 -15.881 1.00 0.00 C ATOM 256 O LYS A 17 -5.230 3.548 -15.913 1.00 0.00 O ATOM 257 CB LYS A 17 -7.624 5.350 -14.696 1.00 0.00 C ATOM 258 CG LYS A 17 -8.226 5.825 -13.368 1.00 0.00 C ATOM 259 CD LYS A 17 -9.454 6.699 -13.643 1.00 0.00 C ATOM 260 CE LYS A 17 -10.637 5.818 -14.062 1.00 0.00 C ATOM 261 NZ LYS A 17 -11.315 5.273 -12.850 1.00 0.00 N ATOM 0 H LYS A 17 -6.316 7.455 -14.541 1.00 0.00 H new ATOM 0 HA LYS A 17 -5.772 4.791 -13.742 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -7.959 5.995 -15.508 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -7.973 4.343 -14.924 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -8.507 4.967 -12.757 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -7.485 6.390 -12.802 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -9.712 7.270 -12.751 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -9.230 7.420 -14.429 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -11.343 6.399 -14.655 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -10.288 5.001 -14.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -12.116 4.676 -13.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -10.640 4.704 -12.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -11.662 6.059 -12.264 1.00 0.00 H new ATOM 275 N ASN A 18 -5.360 5.560 -16.927 1.00 0.00 N ATOM 276 CA ASN A 18 -4.822 5.071 -18.202 1.00 0.00 C ATOM 277 C ASN A 18 -3.348 4.673 -18.075 1.00 0.00 C ATOM 278 O ASN A 18 -2.892 3.749 -18.753 1.00 0.00 O ATOM 279 CB ASN A 18 -4.953 6.141 -19.293 1.00 0.00 C ATOM 280 CG ASN A 18 -6.394 6.194 -19.800 1.00 0.00 C ATOM 281 OD1 ASN A 18 -6.994 5.160 -20.096 1.00 0.00 O ATOM 282 ND2 ASN A 18 -6.989 7.349 -19.920 1.00 0.00 N ATOM 0 H ASN A 18 -5.593 6.553 -16.917 1.00 0.00 H new ATOM 0 HA ASN A 18 -5.404 4.191 -18.476 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -4.662 7.114 -18.897 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -4.276 5.917 -20.118 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -7.950 7.395 -20.259 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -6.493 8.206 -19.675 1.00 0.00 H new ATOM 289 N GLU A 19 -2.608 5.374 -17.205 1.00 0.00 N ATOM 290 CA GLU A 19 -1.180 5.071 -17.007 1.00 0.00 C ATOM 291 C GLU A 19 -1.001 3.626 -16.550 1.00 0.00 C ATOM 292 O GLU A 19 -0.102 2.920 -17.008 1.00 0.00 O ATOM 293 CB GLU A 19 -0.547 5.978 -15.939 1.00 0.00 C ATOM 294 CG GLU A 19 -1.009 7.422 -16.124 1.00 0.00 C ATOM 295 CD GLU A 19 0.108 8.379 -15.719 1.00 0.00 C ATOM 296 OE1 GLU A 19 0.917 8.708 -16.572 1.00 0.00 O ATOM 297 OE2 GLU A 19 0.139 8.768 -14.562 1.00 0.00 O ATOM 0 H GLU A 19 -2.964 6.142 -16.635 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.689 5.240 -17.965 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.822 5.626 -14.945 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.540 5.926 -16.006 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.288 7.594 -17.164 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -1.897 7.609 -15.521 1.00 0.00 H new ATOM 304 N PHE A 20 -1.864 3.210 -15.622 1.00 0.00 N ATOM 305 CA PHE A 20 -1.801 1.861 -15.070 1.00 0.00 C ATOM 306 C PHE A 20 -2.650 0.874 -15.871 1.00 0.00 C ATOM 307 O PHE A 20 -2.211 -0.236 -16.149 1.00 0.00 O ATOM 308 CB PHE A 20 -2.299 1.866 -13.628 1.00 0.00 C ATOM 309 CG PHE A 20 -1.261 2.492 -12.727 1.00 0.00 C ATOM 310 CD1 PHE A 20 -0.223 1.710 -12.207 1.00 0.00 C ATOM 311 CD2 PHE A 20 -1.345 3.853 -12.402 1.00 0.00 C ATOM 312 CE1 PHE A 20 0.730 2.285 -11.361 1.00 0.00 C ATOM 313 CE2 PHE A 20 -0.393 4.427 -11.553 1.00 0.00 C ATOM 314 CZ PHE A 20 0.645 3.643 -11.032 1.00 0.00 C ATOM 0 H PHE A 20 -2.612 3.788 -15.239 1.00 0.00 H new ATOM 0 HA PHE A 20 -0.759 1.543 -15.118 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -3.235 2.421 -13.559 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -2.508 0.847 -13.303 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -0.158 0.662 -12.459 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -2.143 4.457 -12.806 1.00 0.00 H new ATOM 0 HE1 PHE A 20 1.532 1.682 -10.961 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -0.458 5.475 -11.299 1.00 0.00 H new ATOM 0 HZ PHE A 20 1.380 4.087 -10.376 1.00 0.00 H new ATOM 324 N LYS A 21 -3.878 1.280 -16.218 1.00 0.00 N ATOM 325 CA LYS A 21 -4.793 0.408 -16.968 1.00 0.00 C ATOM 326 C LYS A 21 -4.140 -0.129 -18.244 1.00 0.00 C ATOM 327 O LYS A 21 -4.374 -1.273 -18.632 1.00 0.00 O ATOM 328 CB LYS A 21 -6.078 1.163 -17.328 1.00 0.00 C ATOM 329 CG LYS A 21 -7.067 0.222 -18.026 1.00 0.00 C ATOM 330 CD LYS A 21 -7.071 0.499 -19.533 1.00 0.00 C ATOM 331 CE LYS A 21 -7.785 1.826 -19.811 1.00 0.00 C ATOM 332 NZ LYS A 21 -8.311 1.830 -21.207 1.00 0.00 N ATOM 0 H LYS A 21 -4.259 2.199 -15.994 1.00 0.00 H new ATOM 0 HA LYS A 21 -5.036 -0.438 -16.325 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.531 1.575 -16.426 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -5.844 2.005 -17.980 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.790 -0.815 -17.838 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -8.068 0.364 -17.618 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -6.048 0.539 -19.908 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.572 -0.313 -20.061 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -8.602 1.966 -19.104 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -7.095 2.658 -19.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -8.795 2.732 -21.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -7.522 1.716 -21.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -8.983 1.045 -21.327 1.00 0.00 H new ATOM 346 N ALA A 22 -3.313 0.701 -18.887 1.00 0.00 N ATOM 347 CA ALA A 22 -2.628 0.285 -20.112 1.00 0.00 C ATOM 348 C ALA A 22 -1.725 -0.917 -19.829 1.00 0.00 C ATOM 349 O ALA A 22 -1.832 -1.958 -20.480 1.00 0.00 O ATOM 350 CB ALA A 22 -1.775 1.430 -20.662 1.00 0.00 C ATOM 0 H ALA A 22 -3.104 1.652 -18.584 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.384 0.011 -20.848 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.272 1.104 -21.573 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.414 2.285 -20.886 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.030 1.718 -19.920 1.00 0.00 H new ATOM 356 N ALA A 23 -0.850 -0.757 -18.835 1.00 0.00 N ATOM 357 CA ALA A 23 0.065 -1.828 -18.439 1.00 0.00 C ATOM 358 C ALA A 23 -0.718 -2.985 -17.817 1.00 0.00 C ATOM 359 O ALA A 23 -0.390 -4.153 -18.012 1.00 0.00 O ATOM 360 CB ALA A 23 1.082 -1.306 -17.418 1.00 0.00 C ATOM 0 H ALA A 23 -0.756 0.101 -18.291 1.00 0.00 H new ATOM 0 HA ALA A 23 0.590 -2.178 -19.328 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.757 -2.113 -17.132 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.656 -0.492 -17.860 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.557 -0.942 -16.535 1.00 0.00 H new ATOM 366 N PHE A 24 -1.764 -2.635 -17.070 1.00 0.00 N ATOM 367 CA PHE A 24 -2.610 -3.631 -16.413 1.00 0.00 C ATOM 368 C PHE A 24 -3.265 -4.557 -17.440 1.00 0.00 C ATOM 369 O PHE A 24 -3.295 -5.771 -17.257 1.00 0.00 O ATOM 370 CB PHE A 24 -3.710 -2.931 -15.604 1.00 0.00 C ATOM 371 CG PHE A 24 -4.294 -3.877 -14.581 1.00 0.00 C ATOM 372 CD1 PHE A 24 -5.200 -4.868 -14.978 1.00 0.00 C ATOM 373 CD2 PHE A 24 -3.936 -3.760 -13.234 1.00 0.00 C ATOM 374 CE1 PHE A 24 -5.747 -5.736 -14.030 1.00 0.00 C ATOM 375 CE2 PHE A 24 -4.481 -4.629 -12.286 1.00 0.00 C ATOM 376 CZ PHE A 24 -5.386 -5.617 -12.682 1.00 0.00 C ATOM 0 H PHE A 24 -2.046 -1.669 -16.904 1.00 0.00 H new ATOM 0 HA PHE A 24 -1.978 -4.224 -15.752 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -3.300 -2.053 -15.105 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -4.495 -2.580 -16.274 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -5.476 -4.961 -16.018 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -3.237 -2.996 -12.926 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -6.448 -6.498 -14.336 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.203 -4.537 -11.247 1.00 0.00 H new ATOM 0 HZ PHE A 24 -5.807 -6.289 -11.949 1.00 0.00 H new ATOM 386 N ASP A 25 -3.800 -3.966 -18.512 1.00 0.00 N ATOM 387 CA ASP A 25 -4.477 -4.747 -19.555 1.00 0.00 C ATOM 388 C ASP A 25 -3.528 -5.723 -20.256 1.00 0.00 C ATOM 389 O ASP A 25 -3.918 -6.845 -20.587 1.00 0.00 O ATOM 390 CB ASP A 25 -5.090 -3.814 -20.604 1.00 0.00 C ATOM 391 CG ASP A 25 -6.547 -3.529 -20.247 1.00 0.00 C ATOM 392 OD1 ASP A 25 -6.774 -2.825 -19.276 1.00 0.00 O ATOM 393 OD2 ASP A 25 -7.416 -4.019 -20.949 1.00 0.00 O ATOM 0 H ASP A 25 -3.779 -2.960 -18.681 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.257 -5.324 -19.059 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -4.527 -2.882 -20.649 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -5.030 -4.271 -21.592 1.00 0.00 H new ATOM 398 N ILE A 26 -2.289 -5.286 -20.496 1.00 0.00 N ATOM 399 CA ILE A 26 -1.307 -6.137 -21.184 1.00 0.00 C ATOM 400 C ILE A 26 -0.713 -7.196 -20.247 1.00 0.00 C ATOM 401 O ILE A 26 -0.449 -8.322 -20.670 1.00 0.00 O ATOM 402 CB ILE A 26 -0.167 -5.295 -21.785 1.00 0.00 C ATOM 403 CG1 ILE A 26 0.509 -4.457 -20.690 1.00 0.00 C ATOM 404 CG2 ILE A 26 -0.737 -4.365 -22.859 1.00 0.00 C ATOM 405 CD1 ILE A 26 1.730 -3.736 -21.262 1.00 0.00 C ATOM 0 H ILE A 26 -1.943 -4.364 -20.230 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.843 -6.644 -21.986 1.00 0.00 H new ATOM 0 HB ILE A 26 0.573 -5.962 -22.227 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.197 -3.731 -20.288 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.810 -5.100 -19.863 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.068 -3.767 -23.287 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.204 -4.959 -23.644 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.481 -3.705 -22.412 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.203 -3.144 -20.478 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.441 -4.470 -21.642 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.418 -3.079 -22.074 1.00 0.00 H new ATOM 417 N PHE A 27 -0.494 -6.829 -18.980 1.00 0.00 N ATOM 418 CA PHE A 27 0.086 -7.770 -18.013 1.00 0.00 C ATOM 419 C PHE A 27 -0.925 -8.842 -17.591 1.00 0.00 C ATOM 420 O PHE A 27 -0.545 -9.985 -17.333 1.00 0.00 O ATOM 421 CB PHE A 27 0.615 -7.030 -16.777 1.00 0.00 C ATOM 422 CG PHE A 27 1.817 -6.196 -17.174 1.00 0.00 C ATOM 423 CD1 PHE A 27 2.796 -6.735 -18.022 1.00 0.00 C ATOM 424 CD2 PHE A 27 1.945 -4.880 -16.715 1.00 0.00 C ATOM 425 CE1 PHE A 27 3.894 -5.961 -18.407 1.00 0.00 C ATOM 426 CE2 PHE A 27 3.047 -4.107 -17.101 1.00 0.00 C ATOM 427 CZ PHE A 27 4.020 -4.647 -17.948 1.00 0.00 C ATOM 0 H PHE A 27 -0.705 -5.905 -18.604 1.00 0.00 H new ATOM 0 HA PHE A 27 0.920 -8.267 -18.509 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -0.164 -6.392 -16.359 1.00 0.00 H new ATOM 0 HB3 PHE A 27 0.892 -7.744 -16.002 1.00 0.00 H new ATOM 0 HD1 PHE A 27 2.701 -7.750 -18.378 1.00 0.00 H new ATOM 0 HD2 PHE A 27 1.193 -4.460 -16.063 1.00 0.00 H new ATOM 0 HE1 PHE A 27 4.646 -6.379 -19.060 1.00 0.00 H new ATOM 0 HE2 PHE A 27 3.146 -3.092 -16.744 1.00 0.00 H new ATOM 0 HZ PHE A 27 4.868 -4.049 -18.247 1.00 0.00 H new ATOM 437 N ILE A 28 -2.214 -8.480 -17.544 1.00 0.00 N ATOM 438 CA ILE A 28 -3.253 -9.455 -17.173 1.00 0.00 C ATOM 439 C ILE A 28 -3.879 -10.097 -18.424 1.00 0.00 C ATOM 440 O ILE A 28 -4.882 -10.807 -18.328 1.00 0.00 O ATOM 441 CB ILE A 28 -4.365 -8.805 -16.329 1.00 0.00 C ATOM 442 CG1 ILE A 28 -5.188 -7.835 -17.189 1.00 0.00 C ATOM 443 CG2 ILE A 28 -3.748 -8.046 -15.153 1.00 0.00 C ATOM 444 CD1 ILE A 28 -6.461 -8.532 -17.670 1.00 0.00 C ATOM 0 H ILE A 28 -2.559 -7.543 -17.752 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.764 -10.225 -16.576 1.00 0.00 H new ATOM 0 HB ILE A 28 -5.021 -9.590 -15.952 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -5.443 -6.947 -16.611 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -4.599 -7.501 -18.043 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -4.540 -7.588 -14.560 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.182 -8.738 -14.530 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -3.082 -7.270 -15.530 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -7.045 -7.843 -18.280 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -6.195 -9.406 -18.264 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -7.052 -8.844 -16.809 1.00 0.00 H new ATOM 456 N GLN A 29 -3.276 -9.841 -19.595 1.00 0.00 N ATOM 457 CA GLN A 29 -3.773 -10.392 -20.861 1.00 0.00 C ATOM 458 C GLN A 29 -3.994 -11.908 -20.766 1.00 0.00 C ATOM 459 O GLN A 29 -4.966 -12.439 -21.307 1.00 0.00 O ATOM 460 CB GLN A 29 -2.768 -10.103 -21.982 1.00 0.00 C ATOM 461 CG GLN A 29 -3.247 -10.743 -23.286 1.00 0.00 C ATOM 462 CD GLN A 29 -2.316 -10.339 -24.424 1.00 0.00 C ATOM 463 OE1 GLN A 29 -1.615 -11.180 -24.989 1.00 0.00 O ATOM 464 NE2 GLN A 29 -2.263 -9.089 -24.798 1.00 0.00 N ATOM 0 H GLN A 29 -2.445 -9.257 -19.690 1.00 0.00 H new ATOM 0 HA GLN A 29 -4.729 -9.916 -21.078 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -2.656 -9.027 -22.114 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -1.787 -10.495 -21.713 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -3.266 -11.828 -23.185 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -4.266 -10.426 -23.506 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -2.843 -8.392 -24.331 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -1.642 -8.810 -25.557 1.00 0.00 H new ATOM 473 N ASP A 30 -3.076 -12.592 -20.080 1.00 0.00 N ATOM 474 CA ASP A 30 -3.167 -14.049 -19.922 1.00 0.00 C ATOM 475 C ASP A 30 -3.716 -14.435 -18.540 1.00 0.00 C ATOM 476 O ASP A 30 -3.576 -15.581 -18.105 1.00 0.00 O ATOM 477 CB ASP A 30 -1.785 -14.685 -20.108 1.00 0.00 C ATOM 478 CG ASP A 30 -1.350 -14.554 -21.565 1.00 0.00 C ATOM 479 OD1 ASP A 30 -0.812 -13.515 -21.914 1.00 0.00 O ATOM 480 OD2 ASP A 30 -1.563 -15.495 -22.313 1.00 0.00 O ATOM 0 H ASP A 30 -2.267 -12.167 -19.628 1.00 0.00 H new ATOM 0 HA ASP A 30 -3.855 -14.419 -20.683 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.059 -14.198 -19.457 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.816 -15.736 -19.821 1.00 0.00 H new ATOM 485 N ALA A 31 -4.349 -13.474 -17.859 1.00 0.00 N ATOM 486 CA ALA A 31 -4.919 -13.726 -16.538 1.00 0.00 C ATOM 487 C ALA A 31 -6.423 -13.971 -16.642 1.00 0.00 C ATOM 488 O ALA A 31 -7.083 -13.491 -17.566 1.00 0.00 O ATOM 489 CB ALA A 31 -4.669 -12.534 -15.611 1.00 0.00 C ATOM 0 H ALA A 31 -4.477 -12.522 -18.201 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.436 -14.612 -16.127 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.100 -12.738 -14.631 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.596 -12.371 -15.509 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -5.132 -11.642 -16.032 1.00 0.00 H new ATOM 495 N GLU A 32 -6.952 -14.717 -15.675 1.00 0.00 N ATOM 496 CA GLU A 32 -8.383 -15.025 -15.645 1.00 0.00 C ATOM 497 C GLU A 32 -8.977 -14.653 -14.281 1.00 0.00 C ATOM 498 O GLU A 32 -9.790 -15.388 -13.713 1.00 0.00 O ATOM 499 CB GLU A 32 -8.624 -16.517 -15.927 1.00 0.00 C ATOM 500 CG GLU A 32 -7.764 -17.381 -14.992 1.00 0.00 C ATOM 501 CD GLU A 32 -6.477 -17.790 -15.707 1.00 0.00 C ATOM 502 OE1 GLU A 32 -6.545 -18.657 -16.562 1.00 0.00 O ATOM 503 OE2 GLU A 32 -5.440 -17.230 -15.387 1.00 0.00 O ATOM 0 H GLU A 32 -6.416 -15.118 -14.905 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.874 -14.439 -16.422 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -9.678 -16.755 -15.786 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.382 -16.742 -16.966 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.527 -16.826 -14.084 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -8.320 -18.268 -14.687 1.00 0.00 H new ATOM 510 N ASP A 33 -8.552 -13.496 -13.763 1.00 0.00 N ATOM 511 CA ASP A 33 -9.033 -13.021 -12.464 1.00 0.00 C ATOM 512 C ASP A 33 -9.218 -11.502 -12.470 1.00 0.00 C ATOM 513 O ASP A 33 -10.249 -10.991 -12.029 1.00 0.00 O ATOM 514 CB ASP A 33 -8.047 -13.399 -11.356 1.00 0.00 C ATOM 515 CG ASP A 33 -8.782 -13.470 -10.021 1.00 0.00 C ATOM 516 OD1 ASP A 33 -9.300 -14.530 -9.708 1.00 0.00 O ATOM 517 OD2 ASP A 33 -8.820 -12.462 -9.333 1.00 0.00 O ATOM 0 H ASP A 33 -7.882 -12.877 -14.219 1.00 0.00 H new ATOM 0 HA ASP A 33 -9.995 -13.497 -12.275 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -7.584 -14.360 -11.579 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -7.245 -12.663 -11.302 1.00 0.00 H new ATOM 522 N GLY A 34 -8.203 -10.789 -12.964 1.00 0.00 N ATOM 523 CA GLY A 34 -8.249 -9.327 -13.016 1.00 0.00 C ATOM 524 C GLY A 34 -7.179 -8.720 -12.111 1.00 0.00 C ATOM 525 O GLY A 34 -7.426 -7.735 -11.412 1.00 0.00 O ATOM 0 H GLY A 34 -7.344 -11.198 -13.332 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.099 -8.990 -14.042 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.234 -8.978 -12.707 1.00 0.00 H new ATOM 529 N CYS A 35 -5.985 -9.324 -12.136 1.00 0.00 N ATOM 530 CA CYS A 35 -4.862 -8.852 -11.320 1.00 0.00 C ATOM 531 C CYS A 35 -3.545 -9.121 -12.046 1.00 0.00 C ATOM 532 O CYS A 35 -3.408 -10.122 -12.755 1.00 0.00 O ATOM 533 CB CYS A 35 -4.824 -9.573 -9.965 1.00 0.00 C ATOM 534 SG CYS A 35 -6.480 -9.621 -9.236 1.00 0.00 S ATOM 0 H CYS A 35 -5.773 -10.139 -12.711 1.00 0.00 H new ATOM 0 HA CYS A 35 -4.996 -7.783 -11.155 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -4.446 -10.587 -10.095 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -4.137 -9.061 -9.291 1.00 0.00 H new ATOM 0 HG CYS A 35 -7.232 -8.729 -9.809 1.00 0.00 H new ATOM 540 N ILE A 36 -2.571 -8.229 -11.854 1.00 0.00 N ATOM 541 CA ILE A 36 -1.263 -8.400 -12.494 1.00 0.00 C ATOM 542 C ILE A 36 -0.338 -9.201 -11.578 1.00 0.00 C ATOM 543 O ILE A 36 -0.673 -9.475 -10.424 1.00 0.00 O ATOM 544 CB ILE A 36 -0.607 -7.046 -12.831 1.00 0.00 C ATOM 545 CG1 ILE A 36 -0.175 -6.328 -11.544 1.00 0.00 C ATOM 546 CG2 ILE A 36 -1.595 -6.162 -13.599 1.00 0.00 C ATOM 547 CD1 ILE A 36 1.342 -6.458 -11.369 1.00 0.00 C ATOM 0 H ILE A 36 -2.658 -7.396 -11.272 1.00 0.00 H new ATOM 0 HA ILE A 36 -1.421 -8.938 -13.428 1.00 0.00 H new ATOM 0 HB ILE A 36 0.271 -7.231 -13.449 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.457 -5.276 -11.590 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -0.689 -6.759 -10.685 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -1.123 -5.208 -13.833 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.885 -6.660 -14.524 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.480 -5.989 -12.987 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.648 -5.948 -10.455 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.612 -7.512 -11.304 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.847 -6.006 -12.223 1.00 0.00 H new ATOM 559 N SER A 37 0.826 -9.573 -12.104 1.00 0.00 N ATOM 560 CA SER A 37 1.789 -10.345 -11.323 1.00 0.00 C ATOM 561 C SER A 37 2.771 -9.415 -10.609 1.00 0.00 C ATOM 562 O SER A 37 3.598 -8.761 -11.247 1.00 0.00 O ATOM 563 CB SER A 37 2.569 -11.300 -12.231 1.00 0.00 C ATOM 564 OG SER A 37 2.732 -12.547 -11.570 1.00 0.00 O ATOM 0 H SER A 37 1.123 -9.356 -13.055 1.00 0.00 H new ATOM 0 HA SER A 37 1.236 -10.921 -10.581 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.038 -11.441 -13.172 1.00 0.00 H new ATOM 0 HB3 SER A 37 3.542 -10.875 -12.475 1.00 0.00 H new ATOM 0 HG SER A 37 3.085 -13.208 -12.201 1.00 0.00 H new ATOM 570 N THR A 38 2.669 -9.369 -9.276 1.00 0.00 N ATOM 571 CA THR A 38 3.558 -8.524 -8.465 1.00 0.00 C ATOM 572 C THR A 38 5.024 -8.830 -8.782 1.00 0.00 C ATOM 573 O THR A 38 5.861 -7.930 -8.831 1.00 0.00 O ATOM 574 CB THR A 38 3.320 -8.760 -6.968 1.00 0.00 C ATOM 575 OG1 THR A 38 3.513 -10.136 -6.664 1.00 0.00 O ATOM 576 CG2 THR A 38 1.893 -8.353 -6.607 1.00 0.00 C ATOM 0 H THR A 38 1.986 -9.902 -8.738 1.00 0.00 H new ATOM 0 HA THR A 38 3.336 -7.485 -8.708 1.00 0.00 H new ATOM 0 HB THR A 38 4.025 -8.161 -6.392 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.982 -10.219 -5.808 1.00 0.00 H new ATOM 0 HG21 THR A 38 1.725 -8.521 -5.543 1.00 0.00 H new ATOM 0 HG22 THR A 38 1.747 -7.297 -6.835 1.00 0.00 H new ATOM 0 HG23 THR A 38 1.187 -8.950 -7.185 1.00 0.00 H new ATOM 584 N LYS A 39 5.318 -10.114 -9.006 1.00 0.00 N ATOM 585 CA LYS A 39 6.686 -10.533 -9.336 1.00 0.00 C ATOM 586 C LYS A 39 7.139 -9.922 -10.671 1.00 0.00 C ATOM 587 O LYS A 39 8.335 -9.731 -10.900 1.00 0.00 O ATOM 588 CB LYS A 39 6.790 -12.065 -9.417 1.00 0.00 C ATOM 589 CG LYS A 39 5.787 -12.615 -10.440 1.00 0.00 C ATOM 590 CD LYS A 39 4.940 -13.715 -9.793 1.00 0.00 C ATOM 591 CE LYS A 39 5.779 -14.984 -9.622 1.00 0.00 C ATOM 592 NZ LYS A 39 4.882 -16.144 -9.353 1.00 0.00 N ATOM 0 H LYS A 39 4.638 -10.873 -8.966 1.00 0.00 H new ATOM 0 HA LYS A 39 7.337 -10.175 -8.539 1.00 0.00 H new ATOM 0 HB2 LYS A 39 7.803 -12.353 -9.700 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.596 -12.502 -8.437 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.144 -11.812 -10.801 1.00 0.00 H new ATOM 0 HG3 LYS A 39 6.317 -13.012 -11.306 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.570 -13.379 -8.824 1.00 0.00 H new ATOM 0 HD3 LYS A 39 4.067 -13.926 -10.411 1.00 0.00 H new ATOM 0 HE2 LYS A 39 6.367 -15.167 -10.521 1.00 0.00 H new ATOM 0 HE3 LYS A 39 6.484 -14.858 -8.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 5.453 -17.005 -9.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 4.339 -15.969 -8.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.227 -16.268 -10.151 1.00 0.00 H new ATOM 606 N GLU A 40 6.169 -9.611 -11.543 1.00 0.00 N ATOM 607 CA GLU A 40 6.473 -9.017 -12.847 1.00 0.00 C ATOM 608 C GLU A 40 6.282 -7.489 -12.833 1.00 0.00 C ATOM 609 O GLU A 40 6.261 -6.854 -13.891 1.00 0.00 O ATOM 610 CB GLU A 40 5.569 -9.619 -13.928 1.00 0.00 C ATOM 611 CG GLU A 40 5.981 -11.072 -14.194 1.00 0.00 C ATOM 612 CD GLU A 40 4.944 -11.744 -15.090 1.00 0.00 C ATOM 613 OE1 GLU A 40 4.910 -11.427 -16.269 1.00 0.00 O ATOM 614 OE2 GLU A 40 4.200 -12.569 -14.586 1.00 0.00 O ATOM 0 H GLU A 40 5.175 -9.761 -11.368 1.00 0.00 H new ATOM 0 HA GLU A 40 7.518 -9.237 -13.067 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.527 -9.578 -13.609 1.00 0.00 H new ATOM 0 HB3 GLU A 40 5.644 -9.035 -14.846 1.00 0.00 H new ATOM 0 HG2 GLU A 40 6.961 -11.101 -14.670 1.00 0.00 H new ATOM 0 HG3 GLU A 40 6.068 -11.614 -13.252 1.00 0.00 H new ATOM 621 N LEU A 41 6.153 -6.901 -11.630 1.00 0.00 N ATOM 622 CA LEU A 41 5.976 -5.447 -11.496 1.00 0.00 C ATOM 623 C LEU A 41 7.128 -4.683 -12.168 1.00 0.00 C ATOM 624 O LEU A 41 6.950 -3.550 -12.616 1.00 0.00 O ATOM 625 CB LEU A 41 5.919 -5.042 -10.016 1.00 0.00 C ATOM 626 CG LEU A 41 4.897 -3.954 -9.655 1.00 0.00 C ATOM 627 CD1 LEU A 41 5.208 -2.672 -10.429 1.00 0.00 C ATOM 628 CD2 LEU A 41 3.486 -4.433 -10.008 1.00 0.00 C ATOM 0 H LEU A 41 6.168 -7.407 -10.744 1.00 0.00 H new ATOM 0 HA LEU A 41 5.037 -5.190 -11.987 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.698 -5.931 -9.425 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.908 -4.697 -9.716 1.00 0.00 H new ATOM 0 HG LEU A 41 4.955 -3.752 -8.585 1.00 0.00 H new ATOM 0 HD11 LEU A 41 4.480 -1.904 -10.169 1.00 0.00 H new ATOM 0 HD12 LEU A 41 6.209 -2.325 -10.171 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.158 -2.872 -11.499 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.764 -3.658 -9.750 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.429 -4.641 -11.076 1.00 0.00 H new ATOM 0 HD23 LEU A 41 3.259 -5.341 -9.449 1.00 0.00 H new ATOM 640 N GLY A 42 8.309 -5.318 -12.236 1.00 0.00 N ATOM 641 CA GLY A 42 9.482 -4.693 -12.857 1.00 0.00 C ATOM 642 C GLY A 42 9.203 -4.268 -14.306 1.00 0.00 C ATOM 643 O GLY A 42 9.840 -3.349 -14.824 1.00 0.00 O ATOM 0 H GLY A 42 8.474 -6.256 -11.871 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.781 -3.822 -12.274 1.00 0.00 H new ATOM 0 HA3 GLY A 42 10.319 -5.391 -12.838 1.00 0.00 H new ATOM 647 N LYS A 43 8.254 -4.949 -14.953 1.00 0.00 N ATOM 648 CA LYS A 43 7.900 -4.642 -16.336 1.00 0.00 C ATOM 649 C LYS A 43 6.943 -3.442 -16.427 1.00 0.00 C ATOM 650 O LYS A 43 6.863 -2.786 -17.468 1.00 0.00 O ATOM 651 CB LYS A 43 7.232 -5.856 -16.973 1.00 0.00 C ATOM 652 CG LYS A 43 7.450 -5.825 -18.481 1.00 0.00 C ATOM 653 CD LYS A 43 8.048 -7.156 -18.942 1.00 0.00 C ATOM 654 CE LYS A 43 9.073 -6.901 -20.050 1.00 0.00 C ATOM 655 NZ LYS A 43 9.975 -8.082 -20.178 1.00 0.00 N ATOM 0 H LYS A 43 7.720 -5.714 -14.541 1.00 0.00 H new ATOM 0 HA LYS A 43 8.819 -4.388 -16.864 1.00 0.00 H new ATOM 0 HB2 LYS A 43 7.646 -6.773 -16.554 1.00 0.00 H new ATOM 0 HB3 LYS A 43 6.165 -5.856 -16.749 1.00 0.00 H new ATOM 0 HG2 LYS A 43 6.504 -5.644 -18.991 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.117 -5.004 -18.745 1.00 0.00 H new ATOM 0 HD2 LYS A 43 8.523 -7.663 -18.102 1.00 0.00 H new ATOM 0 HD3 LYS A 43 7.259 -7.814 -19.307 1.00 0.00 H new ATOM 0 HE2 LYS A 43 8.563 -6.716 -20.995 1.00 0.00 H new ATOM 0 HE3 LYS A 43 9.656 -6.009 -19.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 10.671 -7.907 -20.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 10.471 -8.239 -19.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 9.413 -8.924 -20.415 1.00 0.00 H new ATOM 669 N VAL A 44 6.220 -3.164 -15.336 1.00 0.00 N ATOM 670 CA VAL A 44 5.272 -2.039 -15.319 1.00 0.00 C ATOM 671 C VAL A 44 5.953 -0.776 -14.787 1.00 0.00 C ATOM 672 O VAL A 44 5.668 0.325 -15.254 1.00 0.00 O ATOM 673 CB VAL A 44 3.989 -2.354 -14.493 1.00 0.00 C ATOM 674 CG1 VAL A 44 3.913 -3.844 -14.141 1.00 0.00 C ATOM 675 CG2 VAL A 44 3.950 -1.535 -13.194 1.00 0.00 C ATOM 0 H VAL A 44 6.270 -3.692 -14.465 1.00 0.00 H new ATOM 0 HA VAL A 44 4.956 -1.871 -16.349 1.00 0.00 H new ATOM 0 HB VAL A 44 3.135 -2.084 -15.115 1.00 0.00 H new ATOM 0 HG11 VAL A 44 3.008 -4.036 -13.565 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.891 -4.434 -15.057 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.785 -4.123 -13.550 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.043 -1.776 -12.639 1.00 0.00 H new ATOM 0 HG22 VAL A 44 4.822 -1.775 -12.586 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.957 -0.472 -13.434 1.00 0.00 H new ATOM 685 N MET A 45 6.861 -0.941 -13.813 1.00 0.00 N ATOM 686 CA MET A 45 7.573 0.209 -13.249 1.00 0.00 C ATOM 687 C MET A 45 8.310 0.964 -14.356 1.00 0.00 C ATOM 688 O MET A 45 8.360 2.193 -14.353 1.00 0.00 O ATOM 689 CB MET A 45 8.572 -0.223 -12.162 1.00 0.00 C ATOM 690 CG MET A 45 9.584 -1.223 -12.733 1.00 0.00 C ATOM 691 SD MET A 45 10.738 -1.726 -11.433 1.00 0.00 S ATOM 692 CE MET A 45 12.156 -2.068 -12.505 1.00 0.00 C ATOM 0 H MET A 45 7.114 -1.842 -13.408 1.00 0.00 H new ATOM 0 HA MET A 45 6.834 0.864 -12.788 1.00 0.00 H new ATOM 0 HB2 MET A 45 9.095 0.650 -11.772 1.00 0.00 H new ATOM 0 HB3 MET A 45 8.037 -0.674 -11.326 1.00 0.00 H new ATOM 0 HG2 MET A 45 9.065 -2.095 -13.130 1.00 0.00 H new ATOM 0 HG3 MET A 45 10.129 -0.772 -13.562 1.00 0.00 H new ATOM 0 HE1 MET A 45 13.014 -2.349 -11.895 1.00 0.00 H new ATOM 0 HE2 MET A 45 11.911 -2.885 -13.183 1.00 0.00 H new ATOM 0 HE3 MET A 45 12.398 -1.176 -13.084 1.00 0.00 H new ATOM 702 N ARG A 46 8.855 0.209 -15.317 1.00 0.00 N ATOM 703 CA ARG A 46 9.564 0.814 -16.445 1.00 0.00 C ATOM 704 C ARG A 46 8.563 1.434 -17.430 1.00 0.00 C ATOM 705 O ARG A 46 8.863 2.427 -18.093 1.00 0.00 O ATOM 706 CB ARG A 46 10.422 -0.231 -17.173 1.00 0.00 C ATOM 707 CG ARG A 46 9.536 -1.346 -17.745 1.00 0.00 C ATOM 708 CD ARG A 46 10.369 -2.247 -18.658 1.00 0.00 C ATOM 709 NE ARG A 46 9.601 -2.634 -19.843 1.00 0.00 N ATOM 710 CZ ARG A 46 10.187 -3.177 -20.919 1.00 0.00 C ATOM 711 NH1 ARG A 46 11.481 -3.397 -20.940 1.00 0.00 N ATOM 712 NH2 ARG A 46 9.460 -3.492 -21.961 1.00 0.00 N ATOM 0 H ARG A 46 8.819 -0.810 -15.335 1.00 0.00 H new ATOM 0 HA ARG A 46 10.217 1.594 -16.055 1.00 0.00 H new ATOM 0 HB2 ARG A 46 10.982 0.246 -17.977 1.00 0.00 H new ATOM 0 HB3 ARG A 46 11.152 -0.655 -16.484 1.00 0.00 H new ATOM 0 HG2 ARG A 46 9.104 -1.933 -16.934 1.00 0.00 H new ATOM 0 HG3 ARG A 46 8.706 -0.914 -18.303 1.00 0.00 H new ATOM 0 HD2 ARG A 46 11.277 -1.726 -18.961 1.00 0.00 H new ATOM 0 HD3 ARG A 46 10.680 -3.138 -18.113 1.00 0.00 H new ATOM 0 HE ARG A 46 8.592 -2.486 -19.850 1.00 0.00 H new ATOM 0 HH11 ARG A 46 12.053 -3.154 -20.131 1.00 0.00 H new ATOM 0 HH12 ARG A 46 11.915 -3.811 -21.765 1.00 0.00 H new ATOM 0 HH21 ARG A 46 8.454 -3.324 -21.951 1.00 0.00 H new ATOM 0 HH22 ARG A 46 9.900 -3.906 -22.783 1.00 0.00 H new ATOM 726 N MET A 47 7.365 0.838 -17.499 1.00 0.00 N ATOM 727 CA MET A 47 6.308 1.331 -18.387 1.00 0.00 C ATOM 728 C MET A 47 5.735 2.653 -17.864 1.00 0.00 C ATOM 729 O MET A 47 5.335 3.520 -18.643 1.00 0.00 O ATOM 730 CB MET A 47 5.173 0.304 -18.486 1.00 0.00 C ATOM 731 CG MET A 47 4.946 -0.085 -19.950 1.00 0.00 C ATOM 732 SD MET A 47 6.334 -1.094 -20.533 1.00 0.00 S ATOM 733 CE MET A 47 7.144 0.177 -21.534 1.00 0.00 C ATOM 0 H MET A 47 7.106 0.017 -16.952 1.00 0.00 H new ATOM 0 HA MET A 47 6.746 1.491 -19.372 1.00 0.00 H new ATOM 0 HB2 MET A 47 5.420 -0.581 -17.900 1.00 0.00 H new ATOM 0 HB3 MET A 47 4.257 0.720 -18.065 1.00 0.00 H new ATOM 0 HG2 MET A 47 4.013 -0.640 -20.049 1.00 0.00 H new ATOM 0 HG3 MET A 47 4.851 0.810 -20.564 1.00 0.00 H new ATOM 0 HE1 MET A 47 7.306 -0.203 -22.543 1.00 0.00 H new ATOM 0 HE2 MET A 47 6.512 1.064 -21.578 1.00 0.00 H new ATOM 0 HE3 MET A 47 8.103 0.437 -21.086 1.00 0.00 H new ATOM 743 N LEU A 48 5.707 2.794 -16.534 1.00 0.00 N ATOM 744 CA LEU A 48 5.190 4.008 -15.896 1.00 0.00 C ATOM 745 C LEU A 48 6.190 5.158 -16.040 1.00 0.00 C ATOM 746 O LEU A 48 5.804 6.328 -16.099 1.00 0.00 O ATOM 747 CB LEU A 48 4.939 3.756 -14.405 1.00 0.00 C ATOM 748 CG LEU A 48 3.552 3.204 -14.040 1.00 0.00 C ATOM 749 CD1 LEU A 48 3.137 2.104 -15.024 1.00 0.00 C ATOM 750 CD2 LEU A 48 3.604 2.621 -12.624 1.00 0.00 C ATOM 0 H LEU A 48 6.036 2.083 -15.880 1.00 0.00 H new ATOM 0 HA LEU A 48 4.255 4.276 -16.388 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.693 3.057 -14.043 1.00 0.00 H new ATOM 0 HB3 LEU A 48 5.088 4.693 -13.868 1.00 0.00 H new ATOM 0 HG LEU A 48 2.823 4.013 -14.089 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.153 1.724 -14.751 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.101 2.514 -16.033 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.862 1.291 -14.988 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.624 2.227 -12.357 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.340 1.818 -12.588 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.885 3.403 -11.919 1.00 0.00 H new ATOM 762 N GLY A 49 7.478 4.809 -16.091 1.00 0.00 N ATOM 763 CA GLY A 49 8.542 5.807 -16.223 1.00 0.00 C ATOM 764 C GLY A 49 9.435 5.833 -14.981 1.00 0.00 C ATOM 765 O GLY A 49 9.972 6.882 -14.616 1.00 0.00 O ATOM 0 H GLY A 49 7.809 3.845 -16.043 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.145 5.585 -17.103 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.103 6.792 -16.379 1.00 0.00 H new ATOM 769 N GLN A 50 9.590 4.671 -14.337 1.00 0.00 N ATOM 770 CA GLN A 50 10.420 4.567 -13.135 1.00 0.00 C ATOM 771 C GLN A 50 11.493 3.496 -13.321 1.00 0.00 C ATOM 772 O GLN A 50 11.311 2.540 -14.081 1.00 0.00 O ATOM 773 CB GLN A 50 9.568 4.203 -11.911 1.00 0.00 C ATOM 774 CG GLN A 50 8.352 5.137 -11.814 1.00 0.00 C ATOM 775 CD GLN A 50 8.811 6.561 -11.505 1.00 0.00 C ATOM 776 OE1 GLN A 50 9.558 6.789 -10.552 1.00 0.00 O ATOM 777 NE2 GLN A 50 8.400 7.545 -12.261 1.00 0.00 N ATOM 0 H GLN A 50 9.154 3.795 -14.627 1.00 0.00 H new ATOM 0 HA GLN A 50 10.889 5.537 -12.972 1.00 0.00 H new ATOM 0 HB2 GLN A 50 9.235 3.168 -11.985 1.00 0.00 H new ATOM 0 HB3 GLN A 50 10.169 4.281 -11.005 1.00 0.00 H new ATOM 0 HG2 GLN A 50 7.795 5.121 -12.751 1.00 0.00 H new ATOM 0 HG3 GLN A 50 7.675 4.787 -11.035 1.00 0.00 H new ATOM 0 HE21 GLN A 50 7.782 7.358 -13.050 1.00 0.00 H new ATOM 0 HE22 GLN A 50 8.698 8.500 -12.062 1.00 0.00 H new ATOM 786 N ASN A 51 12.614 3.662 -12.614 1.00 0.00 N ATOM 787 CA ASN A 51 13.714 2.700 -12.706 1.00 0.00 C ATOM 788 C ASN A 51 14.264 2.364 -11.311 1.00 0.00 C ATOM 789 O ASN A 51 15.418 2.664 -10.994 1.00 0.00 O ATOM 790 CB ASN A 51 14.838 3.264 -13.587 1.00 0.00 C ATOM 791 CG ASN A 51 15.578 2.119 -14.272 1.00 0.00 C ATOM 792 OD1 ASN A 51 15.019 1.436 -15.132 1.00 0.00 O ATOM 793 ND2 ASN A 51 16.816 1.863 -13.941 1.00 0.00 N ATOM 0 H ASN A 51 12.783 4.443 -11.980 1.00 0.00 H new ATOM 0 HA ASN A 51 13.329 1.785 -13.157 1.00 0.00 H new ATOM 0 HB2 ASN A 51 14.423 3.940 -14.334 1.00 0.00 H new ATOM 0 HB3 ASN A 51 15.531 3.846 -12.980 1.00 0.00 H new ATOM 0 HD21 ASN A 51 17.318 1.099 -14.394 1.00 0.00 H new ATOM 0 HD22 ASN A 51 17.281 2.427 -13.229 1.00 0.00 H new ATOM 800 N PRO A 52 13.438 1.728 -10.465 1.00 0.00 N ATOM 801 CA PRO A 52 13.844 1.342 -9.099 1.00 0.00 C ATOM 802 C PRO A 52 14.629 0.023 -9.071 1.00 0.00 C ATOM 803 O PRO A 52 15.170 -0.414 -10.090 1.00 0.00 O ATOM 804 CB PRO A 52 12.496 1.192 -8.397 1.00 0.00 C ATOM 805 CG PRO A 52 11.464 0.898 -9.474 1.00 0.00 C ATOM 806 CD PRO A 52 12.050 1.358 -10.814 1.00 0.00 C ATOM 0 HA PRO A 52 14.515 2.065 -8.635 1.00 0.00 H new ATOM 0 HB2 PRO A 52 12.530 0.385 -7.665 1.00 0.00 H new ATOM 0 HB3 PRO A 52 12.240 2.103 -7.856 1.00 0.00 H new ATOM 0 HG2 PRO A 52 11.233 -0.167 -9.502 1.00 0.00 H new ATOM 0 HG3 PRO A 52 10.531 1.421 -9.264 1.00 0.00 H new ATOM 0 HD2 PRO A 52 12.020 0.564 -11.560 1.00 0.00 H new ATOM 0 HD3 PRO A 52 11.499 2.204 -11.226 1.00 0.00 H new ATOM 814 N THR A 53 14.677 -0.603 -7.893 1.00 0.00 N ATOM 815 CA THR A 53 15.389 -1.873 -7.726 1.00 0.00 C ATOM 816 C THR A 53 14.375 -3.020 -7.584 1.00 0.00 C ATOM 817 O THR A 53 13.167 -2.775 -7.523 1.00 0.00 O ATOM 818 CB THR A 53 16.295 -1.816 -6.476 1.00 0.00 C ATOM 819 OG1 THR A 53 15.542 -2.152 -5.317 1.00 0.00 O ATOM 820 CG2 THR A 53 16.871 -0.406 -6.308 1.00 0.00 C ATOM 0 H THR A 53 14.233 -0.253 -7.044 1.00 0.00 H new ATOM 0 HA THR A 53 16.012 -2.048 -8.603 1.00 0.00 H new ATOM 0 HB THR A 53 17.110 -2.529 -6.603 1.00 0.00 H new ATOM 0 HG1 THR A 53 16.122 -2.116 -4.528 1.00 0.00 H new ATOM 0 HG21 THR A 53 17.508 -0.376 -5.424 1.00 0.00 H new ATOM 0 HG22 THR A 53 17.459 -0.146 -7.188 1.00 0.00 H new ATOM 0 HG23 THR A 53 16.056 0.309 -6.192 1.00 0.00 H new ATOM 828 N PRO A 54 14.841 -4.278 -7.511 1.00 0.00 N ATOM 829 CA PRO A 54 13.935 -5.435 -7.355 1.00 0.00 C ATOM 830 C PRO A 54 13.385 -5.541 -5.932 1.00 0.00 C ATOM 831 O PRO A 54 12.286 -6.053 -5.714 1.00 0.00 O ATOM 832 CB PRO A 54 14.834 -6.615 -7.710 1.00 0.00 C ATOM 833 CG PRO A 54 16.269 -6.161 -7.487 1.00 0.00 C ATOM 834 CD PRO A 54 16.279 -4.630 -7.567 1.00 0.00 C ATOM 0 HA PRO A 54 13.045 -5.372 -7.981 1.00 0.00 H new ATOM 0 HB2 PRO A 54 14.601 -7.479 -7.087 1.00 0.00 H new ATOM 0 HB3 PRO A 54 14.682 -6.918 -8.746 1.00 0.00 H new ATOM 0 HG2 PRO A 54 16.632 -6.498 -6.516 1.00 0.00 H new ATOM 0 HG3 PRO A 54 16.929 -6.590 -8.241 1.00 0.00 H new ATOM 0 HD2 PRO A 54 16.834 -4.187 -6.740 1.00 0.00 H new ATOM 0 HD3 PRO A 54 16.744 -4.278 -8.488 1.00 0.00 H new ATOM 842 N GLU A 55 14.148 -5.010 -4.971 1.00 0.00 N ATOM 843 CA GLU A 55 13.717 -5.004 -3.576 1.00 0.00 C ATOM 844 C GLU A 55 12.731 -3.854 -3.355 1.00 0.00 C ATOM 845 O GLU A 55 11.810 -3.958 -2.545 1.00 0.00 O ATOM 846 CB GLU A 55 14.917 -4.824 -2.637 1.00 0.00 C ATOM 847 CG GLU A 55 15.518 -6.192 -2.299 1.00 0.00 C ATOM 848 CD GLU A 55 14.826 -6.764 -1.065 1.00 0.00 C ATOM 849 OE1 GLU A 55 13.795 -7.398 -1.228 1.00 0.00 O ATOM 850 OE2 GLU A 55 15.337 -6.560 0.025 1.00 0.00 O ATOM 0 H GLU A 55 15.060 -4.583 -5.135 1.00 0.00 H new ATOM 0 HA GLU A 55 13.239 -5.958 -3.356 1.00 0.00 H new ATOM 0 HB2 GLU A 55 15.669 -4.192 -3.110 1.00 0.00 H new ATOM 0 HB3 GLU A 55 14.604 -4.318 -1.724 1.00 0.00 H new ATOM 0 HG2 GLU A 55 15.399 -6.871 -3.143 1.00 0.00 H new ATOM 0 HG3 GLU A 55 16.588 -6.095 -2.116 1.00 0.00 H new ATOM 857 N GLU A 56 12.938 -2.759 -4.101 1.00 0.00 N ATOM 858 CA GLU A 56 12.071 -1.584 -4.005 1.00 0.00 C ATOM 859 C GLU A 56 10.719 -1.852 -4.672 1.00 0.00 C ATOM 860 O GLU A 56 9.671 -1.527 -4.113 1.00 0.00 O ATOM 861 CB GLU A 56 12.730 -0.377 -4.681 1.00 0.00 C ATOM 862 CG GLU A 56 12.256 0.914 -4.013 1.00 0.00 C ATOM 863 CD GLU A 56 13.240 2.039 -4.325 1.00 0.00 C ATOM 864 OE1 GLU A 56 13.103 2.645 -5.376 1.00 0.00 O ATOM 865 OE2 GLU A 56 14.116 2.276 -3.510 1.00 0.00 O ATOM 0 H GLU A 56 13.698 -2.666 -4.775 1.00 0.00 H new ATOM 0 HA GLU A 56 11.914 -1.371 -2.948 1.00 0.00 H new ATOM 0 HB2 GLU A 56 13.815 -0.457 -4.610 1.00 0.00 H new ATOM 0 HB3 GLU A 56 12.480 -0.361 -5.742 1.00 0.00 H new ATOM 0 HG2 GLU A 56 11.261 1.177 -4.371 1.00 0.00 H new ATOM 0 HG3 GLU A 56 12.180 0.772 -2.935 1.00 0.00 H new ATOM 872 N LEU A 57 10.754 -2.445 -5.874 1.00 0.00 N ATOM 873 CA LEU A 57 9.520 -2.749 -6.606 1.00 0.00 C ATOM 874 C LEU A 57 8.626 -3.692 -5.798 1.00 0.00 C ATOM 875 O LEU A 57 7.407 -3.532 -5.777 1.00 0.00 O ATOM 876 CB LEU A 57 9.829 -3.370 -7.979 1.00 0.00 C ATOM 877 CG LEU A 57 10.174 -4.867 -7.988 1.00 0.00 C ATOM 878 CD1 LEU A 57 8.887 -5.703 -7.998 1.00 0.00 C ATOM 879 CD2 LEU A 57 10.993 -5.189 -9.242 1.00 0.00 C ATOM 0 H LEU A 57 11.612 -2.720 -6.353 1.00 0.00 H new ATOM 0 HA LEU A 57 8.990 -1.809 -6.762 1.00 0.00 H new ATOM 0 HB2 LEU A 57 8.966 -3.214 -8.627 1.00 0.00 H new ATOM 0 HB3 LEU A 57 10.663 -2.824 -8.421 1.00 0.00 H new ATOM 0 HG LEU A 57 10.751 -5.106 -7.094 1.00 0.00 H new ATOM 0 HD11 LEU A 57 9.142 -6.763 -8.004 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.299 -5.476 -7.109 1.00 0.00 H new ATOM 0 HD13 LEU A 57 8.305 -5.464 -8.888 1.00 0.00 H new ATOM 0 HD21 LEU A 57 11.240 -6.251 -9.253 1.00 0.00 H new ATOM 0 HD22 LEU A 57 10.411 -4.943 -10.130 1.00 0.00 H new ATOM 0 HD23 LEU A 57 11.912 -4.603 -9.237 1.00 0.00 H new ATOM 891 N GLN A 58 9.241 -4.670 -5.127 1.00 0.00 N ATOM 892 CA GLN A 58 8.476 -5.622 -4.317 1.00 0.00 C ATOM 893 C GLN A 58 8.029 -4.973 -3.001 1.00 0.00 C ATOM 894 O GLN A 58 6.967 -5.301 -2.469 1.00 0.00 O ATOM 895 CB GLN A 58 9.314 -6.870 -4.012 1.00 0.00 C ATOM 896 CG GLN A 58 8.429 -7.951 -3.379 1.00 0.00 C ATOM 897 CD GLN A 58 7.468 -8.520 -4.425 1.00 0.00 C ATOM 898 OE1 GLN A 58 7.858 -9.349 -5.248 1.00 0.00 O ATOM 899 NE2 GLN A 58 6.222 -8.122 -4.441 1.00 0.00 N ATOM 0 H GLN A 58 10.250 -4.822 -5.127 1.00 0.00 H new ATOM 0 HA GLN A 58 7.595 -5.916 -4.888 1.00 0.00 H new ATOM 0 HB2 GLN A 58 9.766 -7.248 -4.929 1.00 0.00 H new ATOM 0 HB3 GLN A 58 10.130 -6.614 -3.336 1.00 0.00 H new ATOM 0 HG2 GLN A 58 9.050 -8.749 -2.972 1.00 0.00 H new ATOM 0 HG3 GLN A 58 7.865 -7.530 -2.547 1.00 0.00 H new ATOM 0 HE21 GLN A 58 5.897 -7.435 -3.760 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.575 -8.498 -5.134 1.00 0.00 H new ATOM 908 N GLU A 59 8.848 -4.047 -2.486 1.00 0.00 N ATOM 909 CA GLU A 59 8.524 -3.354 -1.236 1.00 0.00 C ATOM 910 C GLU A 59 7.300 -2.456 -1.412 1.00 0.00 C ATOM 911 O GLU A 59 6.412 -2.428 -0.556 1.00 0.00 O ATOM 912 CB GLU A 59 9.704 -2.497 -0.765 1.00 0.00 C ATOM 913 CG GLU A 59 10.579 -3.311 0.195 1.00 0.00 C ATOM 914 CD GLU A 59 9.930 -3.342 1.577 1.00 0.00 C ATOM 915 OE1 GLU A 59 10.165 -2.419 2.341 1.00 0.00 O ATOM 916 OE2 GLU A 59 9.208 -4.287 1.851 1.00 0.00 O ATOM 0 H GLU A 59 9.731 -3.764 -2.912 1.00 0.00 H new ATOM 0 HA GLU A 59 8.309 -4.117 -0.488 1.00 0.00 H new ATOM 0 HB2 GLU A 59 10.293 -2.169 -1.621 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.339 -1.599 -0.267 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.704 -4.326 -0.182 1.00 0.00 H new ATOM 0 HG3 GLU A 59 11.574 -2.870 0.259 1.00 0.00 H new ATOM 923 N MET A 60 7.254 -1.724 -2.534 1.00 0.00 N ATOM 924 CA MET A 60 6.121 -0.835 -2.808 1.00 0.00 C ATOM 925 C MET A 60 4.846 -1.649 -3.037 1.00 0.00 C ATOM 926 O MET A 60 3.746 -1.198 -2.716 1.00 0.00 O ATOM 927 CB MET A 60 6.392 0.060 -4.028 1.00 0.00 C ATOM 928 CG MET A 60 6.635 -0.795 -5.274 1.00 0.00 C ATOM 929 SD MET A 60 6.876 0.281 -6.710 1.00 0.00 S ATOM 930 CE MET A 60 6.672 -0.987 -7.986 1.00 0.00 C ATOM 0 H MET A 60 7.976 -1.730 -3.254 1.00 0.00 H new ATOM 0 HA MET A 60 5.988 -0.194 -1.936 1.00 0.00 H new ATOM 0 HB2 MET A 60 5.544 0.724 -4.195 1.00 0.00 H new ATOM 0 HB3 MET A 60 7.260 0.692 -3.838 1.00 0.00 H new ATOM 0 HG2 MET A 60 7.511 -1.427 -5.129 1.00 0.00 H new ATOM 0 HG3 MET A 60 5.788 -1.459 -5.443 1.00 0.00 H new ATOM 0 HE1 MET A 60 7.610 -1.115 -8.526 1.00 0.00 H new ATOM 0 HE2 MET A 60 6.391 -1.931 -7.519 1.00 0.00 H new ATOM 0 HE3 MET A 60 5.892 -0.680 -8.683 1.00 0.00 H new ATOM 940 N ILE A 61 5.011 -2.861 -3.580 1.00 0.00 N ATOM 941 CA ILE A 61 3.869 -3.744 -3.827 1.00 0.00 C ATOM 942 C ILE A 61 3.299 -4.226 -2.496 1.00 0.00 C ATOM 943 O ILE A 61 2.097 -4.157 -2.269 1.00 0.00 O ATOM 944 CB ILE A 61 4.286 -4.961 -4.666 1.00 0.00 C ATOM 945 CG1 ILE A 61 4.657 -4.504 -6.078 1.00 0.00 C ATOM 946 CG2 ILE A 61 3.126 -5.960 -4.749 1.00 0.00 C ATOM 947 CD1 ILE A 61 5.526 -5.571 -6.750 1.00 0.00 C ATOM 0 H ILE A 61 5.914 -3.248 -3.854 1.00 0.00 H new ATOM 0 HA ILE A 61 3.115 -3.182 -4.377 1.00 0.00 H new ATOM 0 HB ILE A 61 5.144 -5.441 -4.195 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.755 -4.333 -6.665 1.00 0.00 H new ATOM 0 HG13 ILE A 61 5.194 -3.557 -6.035 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.429 -6.821 -5.346 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.858 -6.290 -3.745 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.265 -5.480 -5.215 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.790 -5.245 -7.756 1.00 0.00 H new ATOM 0 HD12 ILE A 61 6.435 -5.720 -6.167 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.973 -6.508 -6.806 1.00 0.00 H new ATOM 959 N ASP A 62 4.183 -4.706 -1.619 1.00 0.00 N ATOM 960 CA ASP A 62 3.758 -5.192 -0.301 1.00 0.00 C ATOM 961 C ASP A 62 3.053 -4.084 0.486 1.00 0.00 C ATOM 962 O ASP A 62 2.142 -4.352 1.271 1.00 0.00 O ATOM 963 CB ASP A 62 4.964 -5.688 0.506 1.00 0.00 C ATOM 964 CG ASP A 62 4.508 -6.752 1.501 1.00 0.00 C ATOM 965 OD1 ASP A 62 4.149 -6.386 2.609 1.00 0.00 O ATOM 966 OD2 ASP A 62 4.524 -7.918 1.141 1.00 0.00 O ATOM 0 H ASP A 62 5.186 -4.769 -1.792 1.00 0.00 H new ATOM 0 HA ASP A 62 3.064 -6.017 -0.461 1.00 0.00 H new ATOM 0 HB2 ASP A 62 5.718 -6.101 -0.164 1.00 0.00 H new ATOM 0 HB3 ASP A 62 5.428 -4.856 1.035 1.00 0.00 H new ATOM 971 N GLU A 63 3.485 -2.837 0.266 1.00 0.00 N ATOM 972 CA GLU A 63 2.892 -1.690 0.958 1.00 0.00 C ATOM 973 C GLU A 63 1.491 -1.390 0.422 1.00 0.00 C ATOM 974 O GLU A 63 0.542 -1.239 1.193 1.00 0.00 O ATOM 975 CB GLU A 63 3.770 -0.446 0.781 1.00 0.00 C ATOM 976 CG GLU A 63 4.942 -0.504 1.765 1.00 0.00 C ATOM 977 CD GLU A 63 5.782 0.762 1.630 1.00 0.00 C ATOM 978 OE1 GLU A 63 6.703 0.757 0.829 1.00 0.00 O ATOM 979 OE2 GLU A 63 5.493 1.719 2.331 1.00 0.00 O ATOM 0 H GLU A 63 4.237 -2.599 -0.381 1.00 0.00 H new ATOM 0 HA GLU A 63 2.822 -1.943 2.016 1.00 0.00 H new ATOM 0 HB2 GLU A 63 4.142 -0.393 -0.242 1.00 0.00 H new ATOM 0 HB3 GLU A 63 3.181 0.455 0.953 1.00 0.00 H new ATOM 0 HG2 GLU A 63 4.570 -0.599 2.785 1.00 0.00 H new ATOM 0 HG3 GLU A 63 5.555 -1.383 1.566 1.00 0.00 H new ATOM 986 N VAL A 64 1.370 -1.299 -0.908 1.00 0.00 N ATOM 987 CA VAL A 64 0.076 -1.008 -1.532 1.00 0.00 C ATOM 988 C VAL A 64 -0.882 -2.203 -1.406 1.00 0.00 C ATOM 989 O VAL A 64 -2.080 -2.023 -1.177 1.00 0.00 O ATOM 990 CB VAL A 64 0.254 -0.636 -3.014 1.00 0.00 C ATOM 991 CG1 VAL A 64 0.819 -1.823 -3.797 1.00 0.00 C ATOM 992 CG2 VAL A 64 -1.101 -0.236 -3.604 1.00 0.00 C ATOM 0 H VAL A 64 2.141 -1.421 -1.564 1.00 0.00 H new ATOM 0 HA VAL A 64 -0.358 -0.158 -1.005 1.00 0.00 H new ATOM 0 HB VAL A 64 0.951 0.199 -3.087 1.00 0.00 H new ATOM 0 HG11 VAL A 64 0.939 -1.544 -4.844 1.00 0.00 H new ATOM 0 HG12 VAL A 64 1.787 -2.104 -3.383 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.134 -2.667 -3.723 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.977 0.028 -4.654 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -1.796 -1.072 -3.520 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -1.497 0.621 -3.059 1.00 0.00 H new ATOM 1002 N ASP A 65 -0.343 -3.419 -1.550 1.00 0.00 N ATOM 1003 CA ASP A 65 -1.158 -4.629 -1.444 1.00 0.00 C ATOM 1004 C ASP A 65 -1.517 -4.883 0.021 1.00 0.00 C ATOM 1005 O ASP A 65 -0.705 -5.400 0.794 1.00 0.00 O ATOM 1006 CB ASP A 65 -0.402 -5.843 -2.004 1.00 0.00 C ATOM 1007 CG ASP A 65 -1.291 -6.609 -2.979 1.00 0.00 C ATOM 1008 OD1 ASP A 65 -2.188 -7.295 -2.522 1.00 0.00 O ATOM 1009 OD2 ASP A 65 -1.056 -6.503 -4.172 1.00 0.00 O ATOM 0 H ASP A 65 0.645 -3.588 -1.738 1.00 0.00 H new ATOM 0 HA ASP A 65 -2.068 -4.485 -2.026 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.506 -5.514 -2.509 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -0.094 -6.498 -1.189 1.00 0.00 H new ATOM 1014 N GLU A 66 -2.742 -4.502 0.388 1.00 0.00 N ATOM 1015 CA GLU A 66 -3.220 -4.678 1.767 1.00 0.00 C ATOM 1016 C GLU A 66 -3.184 -6.154 2.161 1.00 0.00 C ATOM 1017 O GLU A 66 -2.788 -6.504 3.274 1.00 0.00 O ATOM 1018 CB GLU A 66 -4.659 -4.165 1.917 1.00 0.00 C ATOM 1019 CG GLU A 66 -4.763 -2.742 1.358 1.00 0.00 C ATOM 1020 CD GLU A 66 -5.987 -2.046 1.950 1.00 0.00 C ATOM 1021 OE1 GLU A 66 -7.055 -2.178 1.376 1.00 0.00 O ATOM 1022 OE2 GLU A 66 -5.836 -1.390 2.968 1.00 0.00 O ATOM 0 H GLU A 66 -3.419 -4.072 -0.243 1.00 0.00 H new ATOM 0 HA GLU A 66 -2.561 -4.105 2.419 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -5.347 -4.825 1.388 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -4.951 -4.175 2.967 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -3.861 -2.179 1.598 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -4.840 -2.772 0.271 1.00 0.00 H new ATOM 1029 N ASP A 67 -3.603 -7.008 1.228 1.00 0.00 N ATOM 1030 CA ASP A 67 -3.625 -8.452 1.466 1.00 0.00 C ATOM 1031 C ASP A 67 -2.265 -9.084 1.148 1.00 0.00 C ATOM 1032 O ASP A 67 -1.822 -10.001 1.843 1.00 0.00 O ATOM 1033 CB ASP A 67 -4.720 -9.130 0.625 1.00 0.00 C ATOM 1034 CG ASP A 67 -4.639 -8.669 -0.832 1.00 0.00 C ATOM 1035 OD1 ASP A 67 -5.146 -7.597 -1.129 1.00 0.00 O ATOM 1036 OD2 ASP A 67 -4.074 -9.393 -1.628 1.00 0.00 O ATOM 0 H ASP A 67 -3.931 -6.727 0.304 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.844 -8.606 2.523 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -4.608 -10.213 0.677 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -5.702 -8.891 1.034 1.00 0.00 H new ATOM 1041 N GLY A 68 -1.614 -8.591 0.090 1.00 0.00 N ATOM 1042 CA GLY A 68 -0.310 -9.120 -0.313 1.00 0.00 C ATOM 1043 C GLY A 68 -0.466 -10.521 -0.894 1.00 0.00 C ATOM 1044 O GLY A 68 0.214 -11.462 -0.478 1.00 0.00 O ATOM 0 H GLY A 68 -1.965 -7.834 -0.497 1.00 0.00 H new ATOM 0 HA2 GLY A 68 0.145 -8.461 -1.052 1.00 0.00 H new ATOM 0 HA3 GLY A 68 0.361 -9.147 0.546 1.00 0.00 H new ATOM 1048 N SER A 69 -1.385 -10.645 -1.852 1.00 0.00 N ATOM 1049 CA SER A 69 -1.658 -11.936 -2.493 1.00 0.00 C ATOM 1050 C SER A 69 -0.705 -12.224 -3.666 1.00 0.00 C ATOM 1051 O SER A 69 -0.899 -13.199 -4.397 1.00 0.00 O ATOM 1052 CB SER A 69 -3.096 -11.963 -3.019 1.00 0.00 C ATOM 1053 OG SER A 69 -3.313 -10.836 -3.866 1.00 0.00 O ATOM 0 H SER A 69 -1.952 -9.872 -2.201 1.00 0.00 H new ATOM 0 HA SER A 69 -1.506 -12.703 -1.733 1.00 0.00 H new ATOM 0 HB2 SER A 69 -3.276 -12.886 -3.570 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.800 -11.947 -2.187 1.00 0.00 H new ATOM 0 HG SER A 69 -3.622 -10.077 -3.328 1.00 0.00 H new ATOM 1059 N GLY A 70 0.311 -11.372 -3.859 1.00 0.00 N ATOM 1060 CA GLY A 70 1.250 -11.562 -4.964 1.00 0.00 C ATOM 1061 C GLY A 70 0.609 -11.153 -6.294 1.00 0.00 C ATOM 1062 O GLY A 70 1.084 -11.534 -7.366 1.00 0.00 O ATOM 0 H GLY A 70 0.499 -10.559 -3.273 1.00 0.00 H new ATOM 0 HA2 GLY A 70 2.149 -10.970 -4.790 1.00 0.00 H new ATOM 0 HA3 GLY A 70 1.560 -12.606 -5.009 1.00 0.00 H new ATOM 1066 N THR A 71 -0.474 -10.368 -6.207 1.00 0.00 N ATOM 1067 CA THR A 71 -1.181 -9.902 -7.396 1.00 0.00 C ATOM 1068 C THR A 71 -1.711 -8.490 -7.157 1.00 0.00 C ATOM 1069 O THR A 71 -2.405 -8.233 -6.169 1.00 0.00 O ATOM 1070 CB THR A 71 -2.355 -10.834 -7.747 1.00 0.00 C ATOM 1071 OG1 THR A 71 -3.406 -10.674 -6.797 1.00 0.00 O ATOM 1072 CG2 THR A 71 -1.883 -12.292 -7.741 1.00 0.00 C ATOM 0 H THR A 71 -0.874 -10.046 -5.326 1.00 0.00 H new ATOM 0 HA THR A 71 -0.479 -9.902 -8.230 1.00 0.00 H new ATOM 0 HB THR A 71 -2.723 -10.576 -8.740 1.00 0.00 H new ATOM 0 HG1 THR A 71 -3.049 -10.790 -5.892 1.00 0.00 H new ATOM 0 HG21 THR A 71 -2.719 -12.946 -7.990 1.00 0.00 H new ATOM 0 HG22 THR A 71 -1.090 -12.421 -8.477 1.00 0.00 H new ATOM 0 HG23 THR A 71 -1.505 -12.548 -6.751 1.00 0.00 H new ATOM 1080 N VAL A 72 -1.368 -7.576 -8.062 1.00 0.00 N ATOM 1081 CA VAL A 72 -1.810 -6.189 -7.930 1.00 0.00 C ATOM 1082 C VAL A 72 -3.118 -5.970 -8.680 1.00 0.00 C ATOM 1083 O VAL A 72 -3.201 -6.187 -9.890 1.00 0.00 O ATOM 1084 CB VAL A 72 -0.764 -5.215 -8.484 1.00 0.00 C ATOM 1085 CG1 VAL A 72 -1.067 -3.800 -7.980 1.00 0.00 C ATOM 1086 CG2 VAL A 72 0.636 -5.627 -8.018 1.00 0.00 C ATOM 0 H VAL A 72 -0.794 -7.766 -8.883 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.952 -5.998 -6.866 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.801 -5.236 -9.573 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -0.324 -3.107 -8.373 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -2.059 -3.498 -8.317 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -1.034 -3.787 -6.891 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.372 -4.929 -8.417 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.676 -5.613 -6.929 1.00 0.00 H new ATOM 0 HG23 VAL A 72 0.858 -6.632 -8.377 1.00 0.00 H new ATOM 1096 N ASP A 73 -4.128 -5.508 -7.948 1.00 0.00 N ATOM 1097 CA ASP A 73 -5.430 -5.222 -8.543 1.00 0.00 C ATOM 1098 C ASP A 73 -5.398 -3.812 -9.122 1.00 0.00 C ATOM 1099 O ASP A 73 -4.527 -3.019 -8.768 1.00 0.00 O ATOM 1100 CB ASP A 73 -6.538 -5.308 -7.487 1.00 0.00 C ATOM 1101 CG ASP A 73 -6.713 -6.756 -7.033 1.00 0.00 C ATOM 1102 OD1 ASP A 73 -5.847 -7.249 -6.325 1.00 0.00 O ATOM 1103 OD2 ASP A 73 -7.714 -7.351 -7.395 1.00 0.00 O ATOM 0 H ASP A 73 -4.071 -5.324 -6.946 1.00 0.00 H new ATOM 0 HA ASP A 73 -5.637 -5.954 -9.323 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -6.288 -4.678 -6.633 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -7.474 -4.931 -7.898 1.00 0.00 H new ATOM 1108 N PHE A 74 -6.339 -3.496 -10.013 1.00 0.00 N ATOM 1109 CA PHE A 74 -6.365 -2.159 -10.610 1.00 0.00 C ATOM 1110 C PHE A 74 -6.475 -1.087 -9.521 1.00 0.00 C ATOM 1111 O PHE A 74 -5.910 0.000 -9.653 1.00 0.00 O ATOM 1112 CB PHE A 74 -7.524 -2.006 -11.599 1.00 0.00 C ATOM 1113 CG PHE A 74 -7.287 -0.788 -12.456 1.00 0.00 C ATOM 1114 CD1 PHE A 74 -6.031 -0.578 -13.038 1.00 0.00 C ATOM 1115 CD2 PHE A 74 -8.317 0.132 -12.663 1.00 0.00 C ATOM 1116 CE1 PHE A 74 -5.809 0.550 -13.824 1.00 0.00 C ATOM 1117 CE2 PHE A 74 -8.094 1.264 -13.453 1.00 0.00 C ATOM 1118 CZ PHE A 74 -6.839 1.474 -14.033 1.00 0.00 C ATOM 0 H PHE A 74 -7.074 -4.127 -10.331 1.00 0.00 H new ATOM 0 HA PHE A 74 -5.430 -2.028 -11.155 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -7.604 -2.895 -12.224 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -8.467 -1.909 -11.061 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -5.235 -1.290 -12.878 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -9.285 -0.031 -12.213 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -4.840 0.712 -14.273 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -8.890 1.975 -13.615 1.00 0.00 H new ATOM 0 HZ PHE A 74 -6.665 2.349 -14.642 1.00 0.00 H new ATOM 1128 N ASP A 75 -7.186 -1.412 -8.433 1.00 0.00 N ATOM 1129 CA ASP A 75 -7.331 -0.471 -7.322 1.00 0.00 C ATOM 1130 C ASP A 75 -5.982 -0.272 -6.630 1.00 0.00 C ATOM 1131 O ASP A 75 -5.597 0.854 -6.312 1.00 0.00 O ATOM 1132 CB ASP A 75 -8.354 -0.983 -6.300 1.00 0.00 C ATOM 1133 CG ASP A 75 -8.869 0.190 -5.469 1.00 0.00 C ATOM 1134 OD1 ASP A 75 -8.257 0.487 -4.455 1.00 0.00 O ATOM 1135 OD2 ASP A 75 -9.867 0.773 -5.859 1.00 0.00 O ATOM 0 H ASP A 75 -7.661 -2.305 -8.302 1.00 0.00 H new ATOM 0 HA ASP A 75 -7.684 0.478 -7.725 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -9.183 -1.472 -6.812 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -7.895 -1.729 -5.651 1.00 0.00 H new ATOM 1140 N GLU A 76 -5.259 -1.381 -6.420 1.00 0.00 N ATOM 1141 CA GLU A 76 -3.938 -1.320 -5.786 1.00 0.00 C ATOM 1142 C GLU A 76 -2.921 -0.695 -6.749 1.00 0.00 C ATOM 1143 O GLU A 76 -1.967 -0.041 -6.330 1.00 0.00 O ATOM 1144 CB GLU A 76 -3.459 -2.725 -5.389 1.00 0.00 C ATOM 1145 CG GLU A 76 -4.515 -3.407 -4.501 1.00 0.00 C ATOM 1146 CD GLU A 76 -4.097 -4.848 -4.189 1.00 0.00 C ATOM 1147 OE1 GLU A 76 -3.672 -5.542 -5.101 1.00 0.00 O ATOM 1148 OE2 GLU A 76 -4.220 -5.243 -3.042 1.00 0.00 O ATOM 0 H GLU A 76 -5.563 -2.320 -6.677 1.00 0.00 H new ATOM 0 HA GLU A 76 -4.021 -0.706 -4.889 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -3.281 -3.324 -6.282 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -2.511 -2.658 -4.856 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.636 -2.847 -3.574 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.482 -3.402 -5.005 1.00 0.00 H new ATOM 1155 N PHE A 77 -3.151 -0.907 -8.049 1.00 0.00 N ATOM 1156 CA PHE A 77 -2.272 -0.374 -9.090 1.00 0.00 C ATOM 1157 C PHE A 77 -2.287 1.156 -9.081 1.00 0.00 C ATOM 1158 O PHE A 77 -1.235 1.798 -9.040 1.00 0.00 O ATOM 1159 CB PHE A 77 -2.744 -0.879 -10.463 1.00 0.00 C ATOM 1160 CG PHE A 77 -1.584 -1.150 -11.398 1.00 0.00 C ATOM 1161 CD1 PHE A 77 -0.282 -1.362 -10.913 1.00 0.00 C ATOM 1162 CD2 PHE A 77 -1.829 -1.197 -12.773 1.00 0.00 C ATOM 1163 CE1 PHE A 77 0.763 -1.617 -11.807 1.00 0.00 C ATOM 1164 CE2 PHE A 77 -0.784 -1.452 -13.664 1.00 0.00 C ATOM 1165 CZ PHE A 77 0.512 -1.662 -13.183 1.00 0.00 C ATOM 0 H PHE A 77 -3.941 -1.446 -8.404 1.00 0.00 H new ATOM 0 HA PHE A 77 -1.255 -0.714 -8.895 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -3.326 -1.792 -10.333 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -3.407 -0.140 -10.913 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -0.089 -1.328 -9.851 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -2.829 -1.036 -13.148 1.00 0.00 H new ATOM 0 HE1 PHE A 77 1.764 -1.779 -11.435 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -0.977 -1.487 -14.726 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.319 -1.859 -13.873 1.00 0.00 H new ATOM 1175 N LEU A 78 -3.495 1.728 -9.116 1.00 0.00 N ATOM 1176 CA LEU A 78 -3.653 3.187 -9.110 1.00 0.00 C ATOM 1177 C LEU A 78 -3.279 3.773 -7.746 1.00 0.00 C ATOM 1178 O LEU A 78 -2.779 4.896 -7.660 1.00 0.00 O ATOM 1179 CB LEU A 78 -5.099 3.570 -9.442 1.00 0.00 C ATOM 1180 CG LEU A 78 -5.420 3.700 -10.939 1.00 0.00 C ATOM 1181 CD1 LEU A 78 -4.807 2.530 -11.711 1.00 0.00 C ATOM 1182 CD2 LEU A 78 -6.939 3.696 -11.132 1.00 0.00 C ATOM 0 H LEU A 78 -4.372 1.208 -9.149 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.984 3.596 -9.868 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -5.763 2.822 -9.009 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -5.326 4.518 -8.955 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.001 4.633 -11.315 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -5.040 2.631 -12.771 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -3.725 2.532 -11.576 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -5.218 1.592 -11.337 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -7.171 3.788 -12.193 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -7.352 2.762 -10.750 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -7.377 4.535 -10.591 1.00 0.00 H new ATOM 1194 N VAL A 79 -3.522 3.000 -6.682 1.00 0.00 N ATOM 1195 CA VAL A 79 -3.200 3.447 -5.323 1.00 0.00 C ATOM 1196 C VAL A 79 -1.693 3.704 -5.203 1.00 0.00 C ATOM 1197 O VAL A 79 -1.270 4.744 -4.701 1.00 0.00 O ATOM 1198 CB VAL A 79 -3.639 2.385 -4.297 1.00 0.00 C ATOM 1199 CG1 VAL A 79 -2.738 2.431 -3.060 1.00 0.00 C ATOM 1200 CG2 VAL A 79 -5.087 2.656 -3.876 1.00 0.00 C ATOM 0 H VAL A 79 -3.937 2.070 -6.734 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.736 4.374 -5.118 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.560 1.399 -4.755 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -3.062 1.674 -2.345 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.707 2.235 -3.354 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -2.803 3.417 -2.599 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -5.401 1.906 -3.150 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -5.156 3.647 -3.427 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.735 2.608 -4.751 1.00 0.00 H new ATOM 1210 N MET A 80 -0.899 2.737 -5.671 1.00 0.00 N ATOM 1211 CA MET A 80 0.567 2.836 -5.629 1.00 0.00 C ATOM 1212 C MET A 80 1.065 4.206 -6.117 1.00 0.00 C ATOM 1213 O MET A 80 2.128 4.669 -5.695 1.00 0.00 O ATOM 1214 CB MET A 80 1.197 1.745 -6.503 1.00 0.00 C ATOM 1215 CG MET A 80 2.297 1.025 -5.719 1.00 0.00 C ATOM 1216 SD MET A 80 3.290 0.021 -6.854 1.00 0.00 S ATOM 1217 CE MET A 80 2.006 -1.177 -7.296 1.00 0.00 C ATOM 0 H MET A 80 -1.246 1.872 -6.085 1.00 0.00 H new ATOM 0 HA MET A 80 0.865 2.708 -4.588 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.435 1.032 -6.817 1.00 0.00 H new ATOM 0 HB3 MET A 80 1.613 2.186 -7.409 1.00 0.00 H new ATOM 0 HG2 MET A 80 2.931 1.751 -5.210 1.00 0.00 H new ATOM 0 HG3 MET A 80 1.855 0.393 -4.949 1.00 0.00 H new ATOM 0 HE1 MET A 80 2.307 -2.171 -6.967 1.00 0.00 H new ATOM 0 HE2 MET A 80 1.069 -0.902 -6.811 1.00 0.00 H new ATOM 0 HE3 MET A 80 1.867 -1.179 -8.377 1.00 0.00 H new ATOM 1227 N MET A 81 0.295 4.851 -7.008 1.00 0.00 N ATOM 1228 CA MET A 81 0.685 6.161 -7.535 1.00 0.00 C ATOM 1229 C MET A 81 0.727 7.199 -6.412 1.00 0.00 C ATOM 1230 O MET A 81 1.767 7.798 -6.156 1.00 0.00 O ATOM 1231 CB MET A 81 -0.297 6.624 -8.624 1.00 0.00 C ATOM 1232 CG MET A 81 0.079 8.029 -9.118 1.00 0.00 C ATOM 1233 SD MET A 81 1.837 8.085 -9.556 1.00 0.00 S ATOM 1234 CE MET A 81 1.758 6.980 -10.986 1.00 0.00 C ATOM 0 H MET A 81 -0.587 4.491 -7.372 1.00 0.00 H new ATOM 0 HA MET A 81 1.679 6.064 -7.972 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.283 5.922 -9.458 1.00 0.00 H new ATOM 0 HB3 MET A 81 -1.313 6.630 -8.229 1.00 0.00 H new ATOM 0 HG2 MET A 81 -0.528 8.293 -9.984 1.00 0.00 H new ATOM 0 HG3 MET A 81 -0.134 8.765 -8.343 1.00 0.00 H new ATOM 0 HE1 MET A 81 2.493 7.292 -11.728 1.00 0.00 H new ATOM 0 HE2 MET A 81 1.973 5.959 -10.669 1.00 0.00 H new ATOM 0 HE3 MET A 81 0.760 7.022 -11.423 1.00 0.00 H new ATOM 1244 N VAL A 82 -0.417 7.399 -5.750 1.00 0.00 N ATOM 1245 CA VAL A 82 -0.502 8.370 -4.650 1.00 0.00 C ATOM 1246 C VAL A 82 0.428 7.982 -3.493 1.00 0.00 C ATOM 1247 O VAL A 82 0.932 8.846 -2.776 1.00 0.00 O ATOM 1248 CB VAL A 82 -1.940 8.479 -4.120 1.00 0.00 C ATOM 1249 CG1 VAL A 82 -2.841 9.082 -5.199 1.00 0.00 C ATOM 1250 CG2 VAL A 82 -2.467 7.091 -3.739 1.00 0.00 C ATOM 0 H VAL A 82 -1.288 6.909 -5.952 1.00 0.00 H new ATOM 0 HA VAL A 82 -0.191 9.334 -5.051 1.00 0.00 H new ATOM 0 HB VAL A 82 -1.943 9.119 -3.238 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -3.860 9.158 -4.821 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -2.477 10.075 -5.464 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.829 8.443 -6.082 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.487 7.179 -3.365 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -2.457 6.445 -4.617 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -1.832 6.661 -2.965 1.00 0.00 H new ATOM 1260 N ARG A 83 0.647 6.672 -3.322 1.00 0.00 N ATOM 1261 CA ARG A 83 1.516 6.177 -2.249 1.00 0.00 C ATOM 1262 C ARG A 83 2.928 6.760 -2.370 1.00 0.00 C ATOM 1263 O ARG A 83 3.583 7.038 -1.362 1.00 0.00 O ATOM 1264 CB ARG A 83 1.611 4.646 -2.295 1.00 0.00 C ATOM 1265 CG ARG A 83 0.246 4.025 -1.980 1.00 0.00 C ATOM 1266 CD ARG A 83 0.443 2.675 -1.287 1.00 0.00 C ATOM 1267 NE ARG A 83 0.625 2.855 0.156 1.00 0.00 N ATOM 1268 CZ ARG A 83 -0.411 3.069 0.981 1.00 0.00 C ATOM 1269 NH1 ARG A 83 -1.640 3.119 0.522 1.00 0.00 N ATOM 1270 NH2 ARG A 83 -0.195 3.229 2.261 1.00 0.00 N ATOM 0 H ARG A 83 0.239 5.943 -3.907 1.00 0.00 H new ATOM 0 HA ARG A 83 1.076 6.492 -1.303 1.00 0.00 H new ATOM 0 HB2 ARG A 83 1.947 4.324 -3.281 1.00 0.00 H new ATOM 0 HB3 ARG A 83 2.352 4.298 -1.576 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -0.330 4.693 -1.339 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -0.326 3.893 -2.899 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -0.420 2.036 -1.473 1.00 0.00 H new ATOM 0 HD3 ARG A 83 1.311 2.168 -1.708 1.00 0.00 H new ATOM 0 HE ARG A 83 1.567 2.816 0.545 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -1.818 2.994 -0.475 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -2.417 3.283 1.162 1.00 0.00 H new ATOM 0 HH21 ARG A 83 0.757 3.191 2.626 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -0.978 3.392 2.894 1.00 0.00 H new ATOM 1284 N CYS A 84 3.390 6.935 -3.613 1.00 0.00 N ATOM 1285 CA CYS A 84 4.732 7.477 -3.859 1.00 0.00 C ATOM 1286 C CYS A 84 4.680 8.959 -4.251 1.00 0.00 C ATOM 1287 O CYS A 84 5.580 9.727 -3.909 1.00 0.00 O ATOM 1288 CB CYS A 84 5.430 6.692 -4.974 1.00 0.00 C ATOM 1289 SG CYS A 84 7.223 6.756 -4.724 1.00 0.00 S ATOM 0 H CYS A 84 2.861 6.712 -4.456 1.00 0.00 H new ATOM 0 HA CYS A 84 5.293 7.381 -2.929 1.00 0.00 H new ATOM 0 HB2 CYS A 84 5.088 5.657 -4.974 1.00 0.00 H new ATOM 0 HB3 CYS A 84 5.172 7.112 -5.946 1.00 0.00 H new ATOM 0 HG CYS A 84 7.817 6.089 -5.668 1.00 0.00 H new ATOM 1295 N MET A 85 3.628 9.350 -4.979 1.00 0.00 N ATOM 1296 CA MET A 85 3.478 10.741 -5.419 1.00 0.00 C ATOM 1297 C MET A 85 3.407 11.687 -4.220 1.00 0.00 C ATOM 1298 O MET A 85 4.194 12.631 -4.113 1.00 0.00 O ATOM 1299 CB MET A 85 2.206 10.905 -6.262 1.00 0.00 C ATOM 1300 CG MET A 85 2.359 12.104 -7.202 1.00 0.00 C ATOM 1301 SD MET A 85 0.722 12.744 -7.637 1.00 0.00 S ATOM 1302 CE MET A 85 0.843 14.318 -6.751 1.00 0.00 C ATOM 0 H MET A 85 2.874 8.729 -5.274 1.00 0.00 H new ATOM 0 HA MET A 85 4.350 10.992 -6.023 1.00 0.00 H new ATOM 0 HB2 MET A 85 2.022 9.999 -6.840 1.00 0.00 H new ATOM 0 HB3 MET A 85 1.343 11.049 -5.611 1.00 0.00 H new ATOM 0 HG2 MET A 85 2.950 12.884 -6.721 1.00 0.00 H new ATOM 0 HG3 MET A 85 2.896 11.807 -8.103 1.00 0.00 H new ATOM 0 HE1 MET A 85 -0.078 14.884 -6.887 1.00 0.00 H new ATOM 0 HE2 MET A 85 0.998 14.127 -5.689 1.00 0.00 H new ATOM 0 HE3 MET A 85 1.683 14.892 -7.142 1.00 0.00 H new ATOM 1312 N LYS A 86 2.458 11.421 -3.320 1.00 0.00 N ATOM 1313 CA LYS A 86 2.286 12.250 -2.124 1.00 0.00 C ATOM 1314 C LYS A 86 2.626 11.452 -0.866 1.00 0.00 C ATOM 1315 O LYS A 86 2.733 10.222 -0.904 1.00 0.00 O ATOM 1316 CB LYS A 86 0.842 12.755 -2.020 1.00 0.00 C ATOM 1317 CG LYS A 86 -0.109 11.564 -1.867 1.00 0.00 C ATOM 1318 CD LYS A 86 -1.302 11.963 -0.997 1.00 0.00 C ATOM 1319 CE LYS A 86 -2.213 12.922 -1.773 1.00 0.00 C ATOM 1320 NZ LYS A 86 -3.242 12.143 -2.518 1.00 0.00 N ATOM 0 H LYS A 86 1.801 10.644 -3.395 1.00 0.00 H new ATOM 0 HA LYS A 86 2.961 13.101 -2.208 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.741 13.426 -1.167 1.00 0.00 H new ATOM 0 HB3 LYS A 86 0.582 13.329 -2.909 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -0.455 11.235 -2.847 1.00 0.00 H new ATOM 0 HG3 LYS A 86 0.417 10.723 -1.416 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -1.861 11.075 -0.701 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -0.953 12.440 -0.081 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -2.696 13.617 -1.086 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -1.622 13.519 -2.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -3.630 12.726 -3.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -2.807 11.288 -2.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -4.008 11.871 -1.869 1.00 0.00 H new ATOM 1334 N ASP A 87 2.794 12.169 0.252 1.00 0.00 N ATOM 1335 CA ASP A 87 3.123 11.529 1.532 1.00 0.00 C ATOM 1336 C ASP A 87 4.415 10.703 1.422 1.00 0.00 C ATOM 1337 O ASP A 87 4.646 9.780 2.208 1.00 0.00 O ATOM 1338 CB ASP A 87 1.970 10.619 1.978 1.00 0.00 C ATOM 1339 CG ASP A 87 1.912 10.558 3.504 1.00 0.00 C ATOM 1340 OD1 ASP A 87 1.362 11.473 4.095 1.00 0.00 O ATOM 1341 OD2 ASP A 87 2.413 9.593 4.060 1.00 0.00 O ATOM 0 H ASP A 87 2.708 13.184 0.297 1.00 0.00 H new ATOM 0 HA ASP A 87 3.276 12.315 2.271 1.00 0.00 H new ATOM 0 HB2 ASP A 87 1.026 10.996 1.585 1.00 0.00 H new ATOM 0 HB3 ASP A 87 2.108 9.617 1.571 1.00 0.00 H new ATOM 1346 N ASP A 88 5.254 11.044 0.437 1.00 0.00 N ATOM 1347 CA ASP A 88 6.515 10.330 0.228 1.00 0.00 C ATOM 1348 C ASP A 88 7.694 11.303 0.251 1.00 0.00 C ATOM 1349 O ASP A 88 8.655 11.110 0.999 1.00 0.00 O ATOM 1350 CB ASP A 88 6.494 9.597 -1.119 1.00 0.00 C ATOM 1351 CG ASP A 88 7.295 8.303 -1.013 1.00 0.00 C ATOM 1352 OD1 ASP A 88 8.506 8.365 -1.146 1.00 0.00 O ATOM 1353 OD2 ASP A 88 6.683 7.267 -0.803 1.00 0.00 O ATOM 0 H ASP A 88 5.083 11.804 -0.222 1.00 0.00 H new ATOM 0 HA ASP A 88 6.631 9.606 1.035 1.00 0.00 H new ATOM 0 HB2 ASP A 88 5.466 9.377 -1.408 1.00 0.00 H new ATOM 0 HB3 ASP A 88 6.915 10.234 -1.897 1.00 0.00 H new ATOM 1358 N SER A 89 7.610 12.349 -0.578 1.00 0.00 N ATOM 1359 CA SER A 89 8.675 13.351 -0.649 1.00 0.00 C ATOM 1360 C SER A 89 8.691 14.211 0.616 1.00 0.00 C ATOM 1361 O SER A 89 7.656 14.770 0.949 1.00 0.00 O ATOM 1362 CB SER A 89 8.484 14.257 -1.869 1.00 0.00 C ATOM 1363 OG SER A 89 9.663 15.023 -2.075 1.00 0.00 O ATOM 1364 OXT SER A 89 9.739 14.296 1.236 1.00 0.00 O ATOM 0 H SER A 89 6.823 12.522 -1.203 1.00 0.00 H new ATOM 0 HA SER A 89 9.624 12.822 -0.738 1.00 0.00 H new ATOM 0 HB2 SER A 89 8.268 13.656 -2.752 1.00 0.00 H new ATOM 0 HB3 SER A 89 7.630 14.917 -1.716 1.00 0.00 H new ATOM 0 HG SER A 89 9.544 15.603 -2.856 1.00 0.00 H new TER 1370 SER A 89 HETATM 1371 CA CA A 90 -3.751 -7.995 -3.718 1.00 0.00 CA