USER MOD reduce.3.24.130724 H: found=0, std=0, add=818, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 818 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 68 TYR OH : rot 30:sc= 0 USER MOD Set 1.2: A 78 TYR OH : rot -90:sc= 0.0785 USER MOD Set 2.1: A 24 MET CE :methyl -158:sc= 0 (180deg=-0.0351) USER MOD Set 2.2: A 52 SER OG : rot -4:sc= 0.34 USER MOD Set 3.1: A 19 LYS NZ :NH3+ -178:sc= 1.84 (180deg=1.84) USER MOD Set 3.2: A 109 SER OG : rot 13:sc= 1.18 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0201 USER MOD Single : A 10 THR OG1 : rot 70:sc= 1.19 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot -90:sc= 1.19 USER MOD Single : A 17 SER OG : rot 92:sc= 1.2 USER MOD Single : A 18 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.105 USER MOD Single : A 28 LYS NZ :NH3+ 173:sc= 0.921 (180deg=0.879) USER MOD Single : A 32 GLN : amide:sc= 0.694 K(o=0.69,f=-3.9!) USER MOD Single : A 33 CYS SG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot -103:sc= 0.495 USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 38 THR OG1 : rot 76:sc= 0.961 USER MOD Single : A 41 GLN : amide:sc= -0.295 X(o=-0.29,f=-0.0092) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc=-0.00361 K(o=-0.0036,f=-0.96) USER MOD Single : A 54 ASN : amide:sc= 0.48 K(o=0.48,f=-5.2!) USER MOD Single : A 58 ASN : amide:sc= 0.438 K(o=0.44,f=-5.3!) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 72:sc= 1.28 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot -19:sc= 1.18 USER MOD Single : A 76 GLN : amide:sc= 0.754 K(o=0.75,f=-1) USER MOD Single : A 87 CYS SG : rot 180:sc= 0.153 USER MOD Single : A 90 THR OG1 : rot 69:sc= 1.03 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 66:sc= 1.32 USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 GLN : amide:sc= 0.756 K(o=0.76,f=-0.13) USER MOD Single : A 105 LYS NZ :NH3+ -162:sc= 1.04 (180deg=0.851) USER MOD Single : A 107 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 108 CYS SG : rot 77:sc= 0.482 USER MOD ----------------------------------------------------------------- ATOM 77 N ALA A 6 -4.350 9.391 -9.484 1.00 0.00 N ATOM 78 CA ALA A 6 -4.007 10.746 -9.942 1.00 0.00 C ATOM 79 C ALA A 6 -3.161 11.576 -8.953 1.00 0.00 C ATOM 80 O ALA A 6 -2.677 12.650 -9.316 1.00 0.00 O ATOM 81 CB ALA A 6 -5.317 11.463 -10.295 1.00 0.00 C ATOM 0 HA ALA A 6 -3.358 10.645 -10.812 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -5.097 12.474 -10.639 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -5.831 10.914 -11.084 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -5.955 11.511 -9.412 1.00 0.00 H new ATOM 87 N LEU A 7 -2.945 11.085 -7.725 1.00 0.00 N ATOM 88 CA LEU A 7 -2.004 11.631 -6.737 1.00 0.00 C ATOM 89 C LEU A 7 -0.624 11.824 -7.384 1.00 0.00 C ATOM 90 O LEU A 7 -0.108 12.938 -7.438 1.00 0.00 O ATOM 91 CB LEU A 7 -1.975 10.652 -5.535 1.00 0.00 C ATOM 92 CG LEU A 7 -1.283 11.105 -4.227 1.00 0.00 C ATOM 93 CD1 LEU A 7 0.202 11.463 -4.390 1.00 0.00 C ATOM 94 CD2 LEU A 7 -2.029 12.275 -3.571 1.00 0.00 C ATOM 0 H LEU A 7 -3.441 10.264 -7.379 1.00 0.00 H new ATOM 0 HA LEU A 7 -2.314 12.613 -6.381 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -3.006 10.395 -5.292 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -1.488 9.735 -5.867 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.325 10.232 -3.576 1.00 0.00 H new ATOM 0 HD11 LEU A 7 0.610 11.770 -3.427 1.00 0.00 H new ATOM 0 HD12 LEU A 7 0.748 10.593 -4.755 1.00 0.00 H new ATOM 0 HD13 LEU A 7 0.303 12.280 -5.104 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -1.515 12.567 -2.655 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -2.055 13.121 -4.258 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -3.048 11.969 -3.333 1.00 0.00 H new ATOM 106 N LYS A 8 -0.054 10.760 -7.960 1.00 0.00 N ATOM 107 CA LYS A 8 1.278 10.801 -8.582 1.00 0.00 C ATOM 108 C LYS A 8 1.341 11.792 -9.760 1.00 0.00 C ATOM 109 O LYS A 8 2.286 12.573 -9.865 1.00 0.00 O ATOM 110 CB LYS A 8 1.668 9.375 -9.013 1.00 0.00 C ATOM 111 CG LYS A 8 3.195 9.261 -9.141 1.00 0.00 C ATOM 112 CD LYS A 8 3.672 7.918 -9.716 1.00 0.00 C ATOM 113 CE LYS A 8 3.294 7.756 -11.199 1.00 0.00 C ATOM 114 NZ LYS A 8 3.819 6.483 -11.764 1.00 0.00 N ATOM 0 H LYS A 8 -0.502 9.845 -8.009 1.00 0.00 H new ATOM 0 HA LYS A 8 1.998 11.167 -7.850 1.00 0.00 H new ATOM 0 HB2 LYS A 8 1.302 8.653 -8.283 1.00 0.00 H new ATOM 0 HB3 LYS A 8 1.196 9.133 -9.965 1.00 0.00 H new ATOM 0 HG2 LYS A 8 3.558 10.068 -9.778 1.00 0.00 H new ATOM 0 HG3 LYS A 8 3.644 9.405 -8.158 1.00 0.00 H new ATOM 0 HD2 LYS A 8 4.754 7.842 -9.608 1.00 0.00 H new ATOM 0 HD3 LYS A 8 3.236 7.102 -9.140 1.00 0.00 H new ATOM 0 HE2 LYS A 8 2.209 7.781 -11.303 1.00 0.00 H new ATOM 0 HE3 LYS A 8 3.688 8.597 -11.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 3.545 6.408 -12.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 4.856 6.471 -11.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 3.423 5.679 -11.236 1.00 0.00 H new ATOM 128 N THR A 9 0.301 11.810 -10.603 1.00 0.00 N ATOM 129 CA THR A 9 0.107 12.737 -11.727 1.00 0.00 C ATOM 130 C THR A 9 0.051 14.192 -11.265 1.00 0.00 C ATOM 131 O THR A 9 0.644 15.052 -11.911 1.00 0.00 O ATOM 132 CB THR A 9 -1.169 12.362 -12.479 1.00 0.00 C ATOM 133 OG1 THR A 9 -1.279 10.959 -12.568 1.00 0.00 O ATOM 134 CG2 THR A 9 -1.144 12.912 -13.896 1.00 0.00 C ATOM 0 H THR A 9 -0.467 11.145 -10.516 1.00 0.00 H new ATOM 0 HA THR A 9 0.965 12.649 -12.394 1.00 0.00 H new ATOM 0 HB THR A 9 -2.011 12.784 -11.931 1.00 0.00 H new ATOM 0 HG1 THR A 9 -2.100 10.725 -13.050 1.00 0.00 H new ATOM 0 HG21 THR A 9 -2.063 12.632 -14.411 1.00 0.00 H new ATOM 0 HG22 THR A 9 -1.063 13.998 -13.863 1.00 0.00 H new ATOM 0 HG23 THR A 9 -0.288 12.500 -14.431 1.00 0.00 H new ATOM 142 N THR A 10 -0.601 14.462 -10.127 1.00 0.00 N ATOM 143 CA THR A 10 -0.675 15.792 -9.501 1.00 0.00 C ATOM 144 C THR A 10 0.711 16.238 -9.051 1.00 0.00 C ATOM 145 O THR A 10 1.131 17.337 -9.410 1.00 0.00 O ATOM 146 CB THR A 10 -1.675 15.801 -8.334 1.00 0.00 C ATOM 147 OG1 THR A 10 -2.934 15.364 -8.801 1.00 0.00 O ATOM 148 CG2 THR A 10 -1.860 17.205 -7.751 1.00 0.00 C ATOM 0 H THR A 10 -1.104 13.746 -9.602 1.00 0.00 H new ATOM 0 HA THR A 10 -1.039 16.504 -10.242 1.00 0.00 H new ATOM 0 HB THR A 10 -1.280 15.144 -7.559 1.00 0.00 H new ATOM 0 HG1 THR A 10 -2.890 14.409 -9.015 1.00 0.00 H new ATOM 0 HG21 THR A 10 -2.575 17.166 -6.929 1.00 0.00 H new ATOM 0 HG22 THR A 10 -0.903 17.575 -7.383 1.00 0.00 H new ATOM 0 HG23 THR A 10 -2.234 17.874 -8.526 1.00 0.00 H new ATOM 156 N LEU A 11 1.450 15.380 -8.334 1.00 0.00 N ATOM 157 CA LEU A 11 2.836 15.662 -7.933 1.00 0.00 C ATOM 158 C LEU A 11 3.708 15.974 -9.150 1.00 0.00 C ATOM 159 O LEU A 11 4.341 17.029 -9.169 1.00 0.00 O ATOM 160 CB LEU A 11 3.431 14.499 -7.111 1.00 0.00 C ATOM 161 CG LEU A 11 2.720 14.186 -5.781 1.00 0.00 C ATOM 162 CD1 LEU A 11 3.434 13.017 -5.085 1.00 0.00 C ATOM 163 CD2 LEU A 11 2.645 15.400 -4.846 1.00 0.00 C ATOM 0 H LEU A 11 1.106 14.474 -8.016 1.00 0.00 H new ATOM 0 HA LEU A 11 2.821 16.545 -7.294 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.420 13.600 -7.728 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.476 14.727 -6.898 1.00 0.00 H new ATOM 0 HG LEU A 11 1.691 13.912 -6.014 1.00 0.00 H new ATOM 0 HD11 LEU A 11 2.933 12.793 -4.143 1.00 0.00 H new ATOM 0 HD12 LEU A 11 3.406 12.138 -5.729 1.00 0.00 H new ATOM 0 HD13 LEU A 11 4.471 13.289 -4.888 1.00 0.00 H new ATOM 0 HD21 LEU A 11 2.134 15.119 -3.925 1.00 0.00 H new ATOM 0 HD22 LEU A 11 3.653 15.742 -4.612 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.095 16.203 -5.336 1.00 0.00 H new ATOM 175 N ASP A 12 3.681 15.132 -10.186 1.00 0.00 N ATOM 176 CA ASP A 12 4.437 15.320 -11.432 1.00 0.00 C ATOM 177 C ASP A 12 4.130 16.667 -12.108 1.00 0.00 C ATOM 178 O ASP A 12 5.048 17.436 -12.400 1.00 0.00 O ATOM 179 CB ASP A 12 4.161 14.144 -12.375 1.00 0.00 C ATOM 180 CG ASP A 12 5.030 14.227 -13.639 1.00 0.00 C ATOM 181 OD1 ASP A 12 6.214 13.816 -13.574 1.00 0.00 O ATOM 182 OD2 ASP A 12 4.527 14.688 -14.691 1.00 0.00 O ATOM 0 H ASP A 12 3.120 14.280 -10.184 1.00 0.00 H new ATOM 0 HA ASP A 12 5.499 15.343 -11.186 1.00 0.00 H new ATOM 0 HB2 ASP A 12 4.358 13.205 -11.857 1.00 0.00 H new ATOM 0 HB3 ASP A 12 3.108 14.139 -12.655 1.00 0.00 H new ATOM 187 N LYS A 13 2.846 17.015 -12.268 1.00 0.00 N ATOM 188 CA LYS A 13 2.426 18.325 -12.781 1.00 0.00 C ATOM 189 C LYS A 13 2.893 19.471 -11.871 1.00 0.00 C ATOM 190 O LYS A 13 3.422 20.465 -12.372 1.00 0.00 O ATOM 191 CB LYS A 13 0.894 18.336 -12.977 1.00 0.00 C ATOM 192 CG LYS A 13 0.399 17.473 -14.155 1.00 0.00 C ATOM 193 CD LYS A 13 0.755 18.052 -15.534 1.00 0.00 C ATOM 194 CE LYS A 13 0.128 17.189 -16.638 1.00 0.00 C ATOM 195 NZ LYS A 13 0.444 17.710 -17.996 1.00 0.00 N ATOM 0 H LYS A 13 2.068 16.394 -12.045 1.00 0.00 H new ATOM 0 HA LYS A 13 2.902 18.490 -13.747 1.00 0.00 H new ATOM 0 HB2 LYS A 13 0.420 17.985 -12.060 1.00 0.00 H new ATOM 0 HB3 LYS A 13 0.567 19.364 -13.132 1.00 0.00 H new ATOM 0 HG2 LYS A 13 0.827 16.474 -14.068 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -0.683 17.363 -14.085 1.00 0.00 H new ATOM 0 HD2 LYS A 13 0.394 19.077 -15.612 1.00 0.00 H new ATOM 0 HD3 LYS A 13 1.838 18.085 -15.656 1.00 0.00 H new ATOM 0 HE2 LYS A 13 0.491 16.165 -16.548 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -0.953 17.157 -16.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 0.003 17.100 -18.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 0.076 18.678 -18.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 1.475 17.717 -18.134 1.00 0.00 H new ATOM 209 N VAL A 14 2.783 19.327 -10.548 1.00 0.00 N ATOM 210 CA VAL A 14 3.237 20.336 -9.573 1.00 0.00 C ATOM 211 C VAL A 14 4.760 20.541 -9.631 1.00 0.00 C ATOM 212 O VAL A 14 5.198 21.681 -9.775 1.00 0.00 O ATOM 213 CB VAL A 14 2.712 20.036 -8.152 1.00 0.00 C ATOM 214 CG1 VAL A 14 3.430 20.815 -7.037 1.00 0.00 C ATOM 215 CG2 VAL A 14 1.207 20.345 -8.058 1.00 0.00 C ATOM 0 H VAL A 14 2.373 18.500 -10.114 1.00 0.00 H new ATOM 0 HA VAL A 14 2.797 21.292 -9.857 1.00 0.00 H new ATOM 0 HB VAL A 14 2.913 18.976 -7.994 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.001 20.547 -6.071 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.491 20.566 -7.045 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.307 21.885 -7.204 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.853 20.128 -7.050 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.037 21.398 -8.283 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.664 19.728 -8.774 1.00 0.00 H new ATOM 225 N VAL A 15 5.572 19.476 -9.591 1.00 0.00 N ATOM 226 CA VAL A 15 7.043 19.614 -9.595 1.00 0.00 C ATOM 227 C VAL A 15 7.586 20.145 -10.928 1.00 0.00 C ATOM 228 O VAL A 15 8.533 20.928 -10.911 1.00 0.00 O ATOM 229 CB VAL A 15 7.808 18.336 -9.168 1.00 0.00 C ATOM 230 CG1 VAL A 15 7.425 17.916 -7.737 1.00 0.00 C ATOM 231 CG2 VAL A 15 7.627 17.156 -10.130 1.00 0.00 C ATOM 0 H VAL A 15 5.242 18.512 -9.556 1.00 0.00 H new ATOM 0 HA VAL A 15 7.236 20.360 -8.824 1.00 0.00 H new ATOM 0 HB VAL A 15 8.864 18.603 -9.200 1.00 0.00 H new ATOM 0 HG11 VAL A 15 7.976 17.017 -7.462 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.673 18.720 -7.043 1.00 0.00 H new ATOM 0 HG13 VAL A 15 6.355 17.714 -7.691 1.00 0.00 H new ATOM 0 HG21 VAL A 15 8.192 16.299 -9.764 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.570 16.895 -10.191 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.990 17.434 -11.119 1.00 0.00 H new ATOM 241 N THR A 16 6.966 19.797 -12.066 1.00 0.00 N ATOM 242 CA THR A 16 7.359 20.318 -13.390 1.00 0.00 C ATOM 243 C THR A 16 6.919 21.762 -13.611 1.00 0.00 C ATOM 244 O THR A 16 7.666 22.524 -14.220 1.00 0.00 O ATOM 245 CB THR A 16 6.866 19.422 -14.534 1.00 0.00 C ATOM 246 OG1 THR A 16 5.486 19.178 -14.414 1.00 0.00 O ATOM 247 CG2 THR A 16 7.596 18.077 -14.559 1.00 0.00 C ATOM 0 H THR A 16 6.180 19.148 -12.097 1.00 0.00 H new ATOM 0 HA THR A 16 8.449 20.306 -13.398 1.00 0.00 H new ATOM 0 HB THR A 16 7.074 19.955 -15.462 1.00 0.00 H new ATOM 0 HG1 THR A 16 5.342 18.373 -13.874 1.00 0.00 H new ATOM 0 HG21 THR A 16 7.217 17.473 -15.383 1.00 0.00 H new ATOM 0 HG22 THR A 16 8.665 18.245 -14.693 1.00 0.00 H new ATOM 0 HG23 THR A 16 7.427 17.554 -13.618 1.00 0.00 H new ATOM 255 N SER A 17 5.756 22.170 -13.096 1.00 0.00 N ATOM 256 CA SER A 17 5.222 23.532 -13.309 1.00 0.00 C ATOM 257 C SER A 17 5.876 24.584 -12.394 1.00 0.00 C ATOM 258 O SER A 17 6.192 25.685 -12.846 1.00 0.00 O ATOM 259 CB SER A 17 3.699 23.563 -13.092 1.00 0.00 C ATOM 260 OG SER A 17 3.019 22.642 -13.932 1.00 0.00 O ATOM 0 H SER A 17 5.157 21.576 -12.523 1.00 0.00 H new ATOM 0 HA SER A 17 5.461 23.788 -14.341 1.00 0.00 H new ATOM 0 HB2 SER A 17 3.477 23.334 -12.050 1.00 0.00 H new ATOM 0 HB3 SER A 17 3.327 24.570 -13.283 1.00 0.00 H new ATOM 0 HG SER A 17 2.911 21.789 -13.462 1.00 0.00 H new ATOM 266 N HIS A 18 6.098 24.259 -11.113 1.00 0.00 N ATOM 267 CA HIS A 18 6.653 25.198 -10.121 1.00 0.00 C ATOM 268 C HIS A 18 8.174 25.027 -9.903 1.00 0.00 C ATOM 269 O HIS A 18 8.781 25.762 -9.121 1.00 0.00 O ATOM 270 CB HIS A 18 5.877 25.023 -8.801 1.00 0.00 C ATOM 271 CG HIS A 18 4.407 25.352 -8.928 1.00 0.00 C ATOM 272 ND1 HIS A 18 3.844 26.610 -8.918 1.00 0.00 N ATOM 273 CD2 HIS A 18 3.380 24.463 -9.110 1.00 0.00 C ATOM 274 CE1 HIS A 18 2.518 26.477 -9.095 1.00 0.00 C ATOM 275 NE2 HIS A 18 2.184 25.180 -9.225 1.00 0.00 N ATOM 0 H HIS A 18 5.898 23.334 -10.731 1.00 0.00 H new ATOM 0 HA HIS A 18 6.531 26.211 -10.503 1.00 0.00 H new ATOM 0 HB2 HIS A 18 5.984 23.994 -8.457 1.00 0.00 H new ATOM 0 HB3 HIS A 18 6.321 25.662 -8.038 1.00 0.00 H new ATOM 0 HD2 HIS A 18 3.478 23.388 -9.157 1.00 0.00 H new ATOM 0 HE1 HIS A 18 1.817 27.298 -9.128 1.00 0.00 H new ATOM 0 HE2 HIS A 18 1.250 24.798 -9.376 1.00 0.00 H new ATOM 283 N LYS A 19 8.797 24.031 -10.552 1.00 0.00 N ATOM 284 CA LYS A 19 10.193 23.597 -10.398 1.00 0.00 C ATOM 285 C LYS A 19 10.516 23.174 -8.956 1.00 0.00 C ATOM 286 O LYS A 19 10.641 21.983 -8.699 1.00 0.00 O ATOM 287 CB LYS A 19 11.176 24.638 -10.979 1.00 0.00 C ATOM 288 CG LYS A 19 11.435 24.460 -12.487 1.00 0.00 C ATOM 289 CD LYS A 19 10.264 24.889 -13.385 1.00 0.00 C ATOM 290 CE LYS A 19 10.563 24.584 -14.861 1.00 0.00 C ATOM 291 NZ LYS A 19 10.331 23.154 -15.203 1.00 0.00 N ATOM 0 H LYS A 19 8.304 23.469 -11.246 1.00 0.00 H new ATOM 0 HA LYS A 19 10.328 22.694 -10.993 1.00 0.00 H new ATOM 0 HB2 LYS A 19 10.781 25.638 -10.801 1.00 0.00 H new ATOM 0 HB3 LYS A 19 12.124 24.570 -10.445 1.00 0.00 H new ATOM 0 HG2 LYS A 19 12.319 25.036 -12.762 1.00 0.00 H new ATOM 0 HG3 LYS A 19 11.663 23.412 -12.683 1.00 0.00 H new ATOM 0 HD2 LYS A 19 9.356 24.369 -13.079 1.00 0.00 H new ATOM 0 HD3 LYS A 19 10.077 25.956 -13.261 1.00 0.00 H new ATOM 0 HE2 LYS A 19 9.936 25.212 -15.493 1.00 0.00 H new ATOM 0 HE3 LYS A 19 11.599 24.844 -15.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 10.579 22.991 -16.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 10.923 22.551 -14.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 9.329 22.919 -15.052 1.00 0.00 H new ATOM 305 N VAL A 20 10.669 24.114 -8.023 1.00 0.00 N ATOM 306 CA VAL A 20 11.036 23.834 -6.623 1.00 0.00 C ATOM 307 C VAL A 20 9.771 23.606 -5.796 1.00 0.00 C ATOM 308 O VAL A 20 8.858 24.429 -5.834 1.00 0.00 O ATOM 309 CB VAL A 20 11.863 24.975 -5.985 1.00 0.00 C ATOM 310 CG1 VAL A 20 12.261 24.582 -4.553 1.00 0.00 C ATOM 311 CG2 VAL A 20 13.139 25.287 -6.788 1.00 0.00 C ATOM 0 H VAL A 20 10.541 25.108 -8.215 1.00 0.00 H new ATOM 0 HA VAL A 20 11.659 22.939 -6.627 1.00 0.00 H new ATOM 0 HB VAL A 20 11.238 25.868 -5.982 1.00 0.00 H new ATOM 0 HG11 VAL A 20 12.844 25.386 -4.104 1.00 0.00 H new ATOM 0 HG12 VAL A 20 11.363 24.410 -3.960 1.00 0.00 H new ATOM 0 HG13 VAL A 20 12.859 23.671 -4.579 1.00 0.00 H new ATOM 0 HG21 VAL A 20 13.687 26.094 -6.302 1.00 0.00 H new ATOM 0 HG22 VAL A 20 13.767 24.398 -6.833 1.00 0.00 H new ATOM 0 HG23 VAL A 20 12.868 25.590 -7.799 1.00 0.00 H new ATOM 321 N VAL A 21 9.726 22.512 -5.030 1.00 0.00 N ATOM 322 CA VAL A 21 8.572 22.159 -4.188 1.00 0.00 C ATOM 323 C VAL A 21 9.045 21.654 -2.822 1.00 0.00 C ATOM 324 O VAL A 21 9.922 20.796 -2.743 1.00 0.00 O ATOM 325 CB VAL A 21 7.666 21.100 -4.861 1.00 0.00 C ATOM 326 CG1 VAL A 21 6.339 20.963 -4.099 1.00 0.00 C ATOM 327 CG2 VAL A 21 7.355 21.446 -6.327 1.00 0.00 C ATOM 0 H VAL A 21 10.492 21.841 -4.974 1.00 0.00 H new ATOM 0 HA VAL A 21 7.979 23.064 -4.054 1.00 0.00 H new ATOM 0 HB VAL A 21 8.217 20.160 -4.835 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.715 20.214 -4.587 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.539 20.656 -3.072 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.820 21.922 -4.096 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.717 20.673 -6.756 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.843 22.407 -6.373 1.00 0.00 H new ATOM 0 HG23 VAL A 21 8.285 21.503 -6.893 1.00 0.00 H new ATOM 337 N LEU A 22 8.457 22.190 -1.750 1.00 0.00 N ATOM 338 CA LEU A 22 8.698 21.763 -0.370 1.00 0.00 C ATOM 339 C LEU A 22 7.602 20.804 0.117 1.00 0.00 C ATOM 340 O LEU A 22 6.412 21.030 -0.111 1.00 0.00 O ATOM 341 CB LEU A 22 8.762 23.003 0.543 1.00 0.00 C ATOM 342 CG LEU A 22 10.111 23.725 0.697 1.00 0.00 C ATOM 343 CD1 LEU A 22 11.158 22.817 1.359 1.00 0.00 C ATOM 344 CD2 LEU A 22 10.638 24.283 -0.627 1.00 0.00 C ATOM 0 H LEU A 22 7.783 22.952 -1.820 1.00 0.00 H new ATOM 0 HA LEU A 22 9.647 21.228 -0.333 1.00 0.00 H new ATOM 0 HB2 LEU A 22 8.037 23.728 0.171 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.431 22.702 1.537 1.00 0.00 H new ATOM 0 HG LEU A 22 9.929 24.577 1.351 1.00 0.00 H new ATOM 0 HD11 LEU A 22 12.100 23.357 1.453 1.00 0.00 H new ATOM 0 HD12 LEU A 22 10.809 22.520 2.348 1.00 0.00 H new ATOM 0 HD13 LEU A 22 11.309 21.928 0.746 1.00 0.00 H new ATOM 0 HD21 LEU A 22 11.592 24.782 -0.458 1.00 0.00 H new ATOM 0 HD22 LEU A 22 10.776 23.467 -1.337 1.00 0.00 H new ATOM 0 HD23 LEU A 22 9.922 24.998 -1.031 1.00 0.00 H new ATOM 356 N PHE A 23 8.003 19.781 0.869 1.00 0.00 N ATOM 357 CA PHE A 23 7.129 18.836 1.559 1.00 0.00 C ATOM 358 C PHE A 23 7.341 19.014 3.070 1.00 0.00 C ATOM 359 O PHE A 23 8.411 18.707 3.593 1.00 0.00 O ATOM 360 CB PHE A 23 7.440 17.417 1.042 1.00 0.00 C ATOM 361 CG PHE A 23 7.339 17.245 -0.470 1.00 0.00 C ATOM 362 CD1 PHE A 23 6.321 17.885 -1.205 1.00 0.00 C ATOM 363 CD2 PHE A 23 8.275 16.443 -1.152 1.00 0.00 C ATOM 364 CE1 PHE A 23 6.242 17.736 -2.601 1.00 0.00 C ATOM 365 CE2 PHE A 23 8.190 16.286 -2.548 1.00 0.00 C ATOM 366 CZ PHE A 23 7.177 16.932 -3.273 1.00 0.00 C ATOM 0 H PHE A 23 8.991 19.580 1.020 1.00 0.00 H new ATOM 0 HA PHE A 23 6.072 19.013 1.361 1.00 0.00 H new ATOM 0 HB2 PHE A 23 8.447 17.145 1.357 1.00 0.00 H new ATOM 0 HB3 PHE A 23 6.756 16.715 1.519 1.00 0.00 H new ATOM 0 HD1 PHE A 23 5.594 18.496 -0.691 1.00 0.00 H new ATOM 0 HD2 PHE A 23 9.061 15.947 -0.602 1.00 0.00 H new ATOM 0 HE1 PHE A 23 5.464 18.239 -3.155 1.00 0.00 H new ATOM 0 HE2 PHE A 23 8.908 15.665 -3.064 1.00 0.00 H new ATOM 0 HZ PHE A 23 7.117 16.811 -4.345 1.00 0.00 H new ATOM 376 N MET A 24 6.347 19.592 3.755 1.00 0.00 N ATOM 377 CA MET A 24 6.432 20.054 5.159 1.00 0.00 C ATOM 378 C MET A 24 5.094 19.835 5.882 1.00 0.00 C ATOM 379 O MET A 24 4.139 19.369 5.272 1.00 0.00 O ATOM 380 CB MET A 24 6.807 21.555 5.196 1.00 0.00 C ATOM 381 CG MET A 24 7.831 21.980 4.134 1.00 0.00 C ATOM 382 SD MET A 24 8.538 23.640 4.305 1.00 0.00 S ATOM 383 CE MET A 24 7.049 24.650 4.098 1.00 0.00 C ATOM 0 H MET A 24 5.430 19.759 3.341 1.00 0.00 H new ATOM 0 HA MET A 24 7.202 19.475 5.669 1.00 0.00 H new ATOM 0 HB2 MET A 24 5.901 22.147 5.066 1.00 0.00 H new ATOM 0 HB3 MET A 24 7.205 21.793 6.182 1.00 0.00 H new ATOM 0 HG2 MET A 24 8.649 21.259 4.142 1.00 0.00 H new ATOM 0 HG3 MET A 24 7.355 21.912 3.156 1.00 0.00 H new ATOM 0 HE1 MET A 24 7.332 25.656 3.788 1.00 0.00 H new ATOM 0 HE2 MET A 24 6.409 24.202 3.338 1.00 0.00 H new ATOM 0 HE3 MET A 24 6.509 24.700 5.044 1.00 0.00 H new ATOM 393 N LYS A 25 4.951 20.250 7.142 1.00 0.00 N ATOM 394 CA LYS A 25 3.669 20.210 7.880 1.00 0.00 C ATOM 395 C LYS A 25 2.700 21.367 7.524 1.00 0.00 C ATOM 396 O LYS A 25 1.823 21.719 8.319 1.00 0.00 O ATOM 397 CB LYS A 25 3.958 20.135 9.392 1.00 0.00 C ATOM 398 CG LYS A 25 4.771 18.892 9.782 1.00 0.00 C ATOM 399 CD LYS A 25 4.855 18.770 11.307 1.00 0.00 C ATOM 400 CE LYS A 25 5.687 17.535 11.692 1.00 0.00 C ATOM 401 NZ LYS A 25 5.802 17.385 13.169 1.00 0.00 N ATOM 0 H LYS A 25 5.723 20.628 7.691 1.00 0.00 H new ATOM 0 HA LYS A 25 3.137 19.312 7.567 1.00 0.00 H new ATOM 0 HB2 LYS A 25 4.501 21.029 9.698 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.015 20.132 9.938 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.306 17.999 9.364 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.774 18.957 9.360 1.00 0.00 H new ATOM 0 HD2 LYS A 25 5.307 19.668 11.727 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.853 18.690 11.729 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.227 16.641 11.270 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.683 17.617 11.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.370 16.542 13.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.263 18.227 13.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.853 17.281 13.582 1.00 0.00 H new ATOM 415 N GLY A 26 2.867 21.996 6.352 1.00 0.00 N ATOM 416 CA GLY A 26 2.097 23.170 5.912 1.00 0.00 C ATOM 417 C GLY A 26 2.340 23.588 4.457 1.00 0.00 C ATOM 418 O GLY A 26 3.148 22.978 3.752 1.00 0.00 O ATOM 0 H GLY A 26 3.559 21.695 5.666 1.00 0.00 H new ATOM 0 HA2 GLY A 26 1.035 22.961 6.043 1.00 0.00 H new ATOM 0 HA3 GLY A 26 2.339 24.011 6.562 1.00 0.00 H new ATOM 422 N THR A 27 1.610 24.620 4.019 1.00 0.00 N ATOM 423 CA THR A 27 1.640 25.212 2.667 1.00 0.00 C ATOM 424 C THR A 27 2.536 26.449 2.624 1.00 0.00 C ATOM 425 O THR A 27 3.115 26.835 3.636 1.00 0.00 O ATOM 426 CB THR A 27 0.212 25.559 2.217 1.00 0.00 C ATOM 427 OG1 THR A 27 -0.308 26.522 3.108 1.00 0.00 O ATOM 428 CG2 THR A 27 -0.706 24.335 2.207 1.00 0.00 C ATOM 0 H THR A 27 0.944 25.094 4.629 1.00 0.00 H new ATOM 0 HA THR A 27 2.060 24.478 1.979 1.00 0.00 H new ATOM 0 HB THR A 27 0.256 25.941 1.197 1.00 0.00 H new ATOM 0 HG1 THR A 27 -1.220 26.759 2.838 1.00 0.00 H new ATOM 0 HG21 THR A 27 -1.704 24.631 1.882 1.00 0.00 H new ATOM 0 HG22 THR A 27 -0.308 23.587 1.521 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.761 23.913 3.211 1.00 0.00 H new ATOM 436 N LYS A 28 2.640 27.111 1.469 1.00 0.00 N ATOM 437 CA LYS A 28 3.369 28.388 1.357 1.00 0.00 C ATOM 438 C LYS A 28 2.590 29.580 1.958 1.00 0.00 C ATOM 439 O LYS A 28 3.186 30.596 2.316 1.00 0.00 O ATOM 440 CB LYS A 28 3.803 28.633 -0.099 1.00 0.00 C ATOM 441 CG LYS A 28 2.650 28.920 -1.079 1.00 0.00 C ATOM 442 CD LYS A 28 3.135 29.080 -2.530 1.00 0.00 C ATOM 443 CE LYS A 28 4.074 30.283 -2.712 1.00 0.00 C ATOM 444 NZ LYS A 28 4.479 30.460 -4.134 1.00 0.00 N ATOM 0 H LYS A 28 2.229 26.787 0.593 1.00 0.00 H new ATOM 0 HA LYS A 28 4.271 28.307 1.963 1.00 0.00 H new ATOM 0 HB2 LYS A 28 4.496 29.474 -0.120 1.00 0.00 H new ATOM 0 HB3 LYS A 28 4.351 27.759 -0.451 1.00 0.00 H new ATOM 0 HG2 LYS A 28 1.925 28.108 -1.029 1.00 0.00 H new ATOM 0 HG3 LYS A 28 2.133 29.828 -0.770 1.00 0.00 H new ATOM 0 HD2 LYS A 28 3.652 28.171 -2.838 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.273 29.195 -3.187 1.00 0.00 H new ATOM 0 HE2 LYS A 28 3.578 31.188 -2.360 1.00 0.00 H new ATOM 0 HE3 LYS A 28 4.963 30.147 -2.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 5.013 31.346 -4.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 5.076 29.660 -4.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.631 30.497 -4.735 1.00 0.00 H new ATOM 458 N ASP A 29 1.266 29.443 2.101 1.00 0.00 N ATOM 459 CA ASP A 29 0.396 30.402 2.798 1.00 0.00 C ATOM 460 C ASP A 29 0.449 30.218 4.329 1.00 0.00 C ATOM 461 O ASP A 29 0.351 31.203 5.066 1.00 0.00 O ATOM 462 CB ASP A 29 -1.037 30.232 2.277 1.00 0.00 C ATOM 463 CG ASP A 29 -1.997 31.270 2.879 1.00 0.00 C ATOM 464 OD1 ASP A 29 -1.894 32.466 2.514 1.00 0.00 O ATOM 465 OD2 ASP A 29 -2.866 30.883 3.698 1.00 0.00 O ATOM 0 H ASP A 29 0.756 28.643 1.726 1.00 0.00 H new ATOM 0 HA ASP A 29 0.749 31.413 2.593 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -1.041 30.322 1.191 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -1.392 29.229 2.515 1.00 0.00 H new ATOM 470 N PHE A 30 0.653 28.979 4.803 1.00 0.00 N ATOM 471 CA PHE A 30 0.804 28.638 6.220 1.00 0.00 C ATOM 472 C PHE A 30 2.002 27.678 6.429 1.00 0.00 C ATOM 473 O PHE A 30 1.797 26.476 6.645 1.00 0.00 O ATOM 474 CB PHE A 30 -0.537 28.081 6.732 1.00 0.00 C ATOM 475 CG PHE A 30 -0.580 27.835 8.230 1.00 0.00 C ATOM 476 CD1 PHE A 30 -0.577 28.926 9.121 1.00 0.00 C ATOM 477 CD2 PHE A 30 -0.615 26.519 8.739 1.00 0.00 C ATOM 478 CE1 PHE A 30 -0.605 28.704 10.509 1.00 0.00 C ATOM 479 CE2 PHE A 30 -0.640 26.299 10.128 1.00 0.00 C ATOM 480 CZ PHE A 30 -0.637 27.391 11.013 1.00 0.00 C ATOM 0 H PHE A 30 0.719 28.166 4.191 1.00 0.00 H new ATOM 0 HA PHE A 30 1.041 29.523 6.811 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -1.332 28.778 6.467 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.749 27.145 6.216 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -0.553 29.935 8.737 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.623 25.679 8.060 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.602 29.543 11.189 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -0.662 25.291 10.515 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.659 27.222 12.079 1.00 0.00 H new ATOM 490 N PRO A 31 3.251 28.183 6.348 1.00 0.00 N ATOM 491 CA PRO A 31 4.465 27.398 6.562 1.00 0.00 C ATOM 492 C PRO A 31 4.736 27.187 8.060 1.00 0.00 C ATOM 493 O PRO A 31 4.090 27.796 8.917 1.00 0.00 O ATOM 494 CB PRO A 31 5.575 28.206 5.881 1.00 0.00 C ATOM 495 CG PRO A 31 5.123 29.648 6.099 1.00 0.00 C ATOM 496 CD PRO A 31 3.603 29.549 5.977 1.00 0.00 C ATOM 0 HA PRO A 31 4.389 26.393 6.146 1.00 0.00 H new ATOM 0 HB2 PRO A 31 6.549 28.015 6.331 1.00 0.00 H new ATOM 0 HB3 PRO A 31 5.660 27.964 4.822 1.00 0.00 H new ATOM 0 HG2 PRO A 31 5.427 30.024 7.076 1.00 0.00 H new ATOM 0 HG3 PRO A 31 5.546 30.321 5.353 1.00 0.00 H new ATOM 0 HD2 PRO A 31 3.113 30.269 6.633 1.00 0.00 H new ATOM 0 HD3 PRO A 31 3.279 29.772 4.960 1.00 0.00 H new ATOM 504 N GLN A 32 5.728 26.345 8.372 1.00 0.00 N ATOM 505 CA GLN A 32 6.246 26.153 9.732 1.00 0.00 C ATOM 506 C GLN A 32 7.542 26.962 9.949 1.00 0.00 C ATOM 507 O GLN A 32 8.292 27.240 9.009 1.00 0.00 O ATOM 508 CB GLN A 32 6.413 24.650 10.037 1.00 0.00 C ATOM 509 CG GLN A 32 7.477 23.930 9.191 1.00 0.00 C ATOM 510 CD GLN A 32 7.523 22.428 9.474 1.00 0.00 C ATOM 511 OE1 GLN A 32 6.985 21.613 8.736 1.00 0.00 O ATOM 512 NE2 GLN A 32 8.143 22.000 10.555 1.00 0.00 N ATOM 0 H GLN A 32 6.201 25.769 7.676 1.00 0.00 H new ATOM 0 HA GLN A 32 5.522 26.541 10.448 1.00 0.00 H new ATOM 0 HB2 GLN A 32 6.669 24.534 11.090 1.00 0.00 H new ATOM 0 HB3 GLN A 32 5.454 24.155 9.886 1.00 0.00 H new ATOM 0 HG2 GLN A 32 7.268 24.092 8.134 1.00 0.00 H new ATOM 0 HG3 GLN A 32 8.455 24.366 9.393 1.00 0.00 H new ATOM 0 HE21 GLN A 32 8.596 22.666 11.180 1.00 0.00 H new ATOM 0 HE22 GLN A 32 8.170 21.003 10.766 1.00 0.00 H new ATOM 521 N CYS A 33 7.802 27.344 11.202 1.00 0.00 N ATOM 522 CA CYS A 33 8.941 28.182 11.604 1.00 0.00 C ATOM 523 C CYS A 33 10.300 27.444 11.549 1.00 0.00 C ATOM 524 O CYS A 33 10.368 26.215 11.450 1.00 0.00 O ATOM 525 CB CYS A 33 8.653 28.753 13.007 1.00 0.00 C ATOM 526 SG CYS A 33 7.182 29.824 12.950 1.00 0.00 S ATOM 0 H CYS A 33 7.212 27.073 11.988 1.00 0.00 H new ATOM 0 HA CYS A 33 9.041 28.994 10.883 1.00 0.00 H new ATOM 0 HB2 CYS A 33 8.494 27.939 13.715 1.00 0.00 H new ATOM 0 HB3 CYS A 33 9.513 29.321 13.362 1.00 0.00 H new ATOM 0 HG CYS A 33 6.945 30.299 14.137 1.00 0.00 H new ATOM 532 N GLY A 34 11.393 28.211 11.644 1.00 0.00 N ATOM 533 CA GLY A 34 12.768 27.693 11.725 1.00 0.00 C ATOM 534 C GLY A 34 13.352 27.381 10.352 1.00 0.00 C ATOM 535 O GLY A 34 13.390 28.250 9.479 1.00 0.00 O ATOM 0 H GLY A 34 11.347 29.230 11.667 1.00 0.00 H new ATOM 0 HA2 GLY A 34 13.400 28.425 12.228 1.00 0.00 H new ATOM 0 HA3 GLY A 34 12.778 26.790 12.335 1.00 0.00 H new ATOM 539 N PHE A 35 13.833 26.150 10.152 1.00 0.00 N ATOM 540 CA PHE A 35 14.522 25.733 8.925 1.00 0.00 C ATOM 541 C PHE A 35 13.640 25.868 7.680 1.00 0.00 C ATOM 542 O PHE A 35 14.094 26.392 6.672 1.00 0.00 O ATOM 543 CB PHE A 35 15.041 24.297 9.092 1.00 0.00 C ATOM 544 CG PHE A 35 16.052 24.120 10.207 1.00 0.00 C ATOM 545 CD1 PHE A 35 17.369 24.589 10.038 1.00 0.00 C ATOM 546 CD2 PHE A 35 15.685 23.492 11.414 1.00 0.00 C ATOM 547 CE1 PHE A 35 18.311 24.439 11.071 1.00 0.00 C ATOM 548 CE2 PHE A 35 16.628 23.340 12.446 1.00 0.00 C ATOM 549 CZ PHE A 35 17.942 23.812 12.275 1.00 0.00 C ATOM 0 H PHE A 35 13.754 25.406 10.845 1.00 0.00 H new ATOM 0 HA PHE A 35 15.366 26.404 8.768 1.00 0.00 H new ATOM 0 HB2 PHE A 35 14.194 23.637 9.279 1.00 0.00 H new ATOM 0 HB3 PHE A 35 15.494 23.976 8.154 1.00 0.00 H new ATOM 0 HD1 PHE A 35 17.656 25.065 9.112 1.00 0.00 H new ATOM 0 HD2 PHE A 35 14.677 23.127 11.547 1.00 0.00 H new ATOM 0 HE1 PHE A 35 19.318 24.805 10.940 1.00 0.00 H new ATOM 0 HE2 PHE A 35 16.343 22.860 13.371 1.00 0.00 H new ATOM 0 HZ PHE A 35 18.667 23.693 13.067 1.00 0.00 H new ATOM 559 N SER A 36 12.363 25.489 7.742 1.00 0.00 N ATOM 560 CA SER A 36 11.406 25.650 6.629 1.00 0.00 C ATOM 561 C SER A 36 11.244 27.119 6.206 1.00 0.00 C ATOM 562 O SER A 36 11.464 27.460 5.040 1.00 0.00 O ATOM 563 CB SER A 36 10.051 25.079 7.060 1.00 0.00 C ATOM 564 OG SER A 36 10.123 23.669 7.187 1.00 0.00 O ATOM 0 H SER A 36 11.953 25.057 8.570 1.00 0.00 H new ATOM 0 HA SER A 36 11.794 25.111 5.765 1.00 0.00 H new ATOM 0 HB2 SER A 36 9.749 25.520 8.010 1.00 0.00 H new ATOM 0 HB3 SER A 36 9.288 25.345 6.328 1.00 0.00 H new ATOM 0 HG SER A 36 9.696 23.248 6.412 1.00 0.00 H new ATOM 570 N GLN A 37 10.958 28.009 7.165 1.00 0.00 N ATOM 571 CA GLN A 37 10.840 29.460 6.955 1.00 0.00 C ATOM 572 C GLN A 37 12.136 30.023 6.346 1.00 0.00 C ATOM 573 O GLN A 37 12.089 30.750 5.352 1.00 0.00 O ATOM 574 CB GLN A 37 10.500 30.105 8.311 1.00 0.00 C ATOM 575 CG GLN A 37 10.267 31.624 8.244 1.00 0.00 C ATOM 576 CD GLN A 37 9.872 32.235 9.596 1.00 0.00 C ATOM 577 OE1 GLN A 37 9.791 31.576 10.628 1.00 0.00 O ATOM 578 NE2 GLN A 37 9.615 33.527 9.649 1.00 0.00 N ATOM 0 H GLN A 37 10.798 27.734 8.134 1.00 0.00 H new ATOM 0 HA GLN A 37 10.046 29.688 6.244 1.00 0.00 H new ATOM 0 HB2 GLN A 37 9.606 29.629 8.714 1.00 0.00 H new ATOM 0 HB3 GLN A 37 11.311 29.903 9.011 1.00 0.00 H new ATOM 0 HG2 GLN A 37 11.175 32.109 7.885 1.00 0.00 H new ATOM 0 HG3 GLN A 37 9.484 31.833 7.515 1.00 0.00 H new ATOM 0 HE21 GLN A 37 9.676 34.094 8.803 1.00 0.00 H new ATOM 0 HE22 GLN A 37 9.355 33.959 10.536 1.00 0.00 H new ATOM 587 N THR A 38 13.291 29.599 6.882 1.00 0.00 N ATOM 588 CA THR A 38 14.625 29.945 6.366 1.00 0.00 C ATOM 589 C THR A 38 14.793 29.463 4.926 1.00 0.00 C ATOM 590 O THR A 38 15.188 30.248 4.075 1.00 0.00 O ATOM 591 CB THR A 38 15.731 29.399 7.285 1.00 0.00 C ATOM 592 OG1 THR A 38 15.527 29.874 8.600 1.00 0.00 O ATOM 593 CG2 THR A 38 17.121 29.861 6.849 1.00 0.00 C ATOM 0 H THR A 38 13.325 28.994 7.703 1.00 0.00 H new ATOM 0 HA THR A 38 14.718 31.031 6.359 1.00 0.00 H new ATOM 0 HB THR A 38 15.681 28.311 7.233 1.00 0.00 H new ATOM 0 HG1 THR A 38 14.792 29.377 9.017 1.00 0.00 H new ATOM 0 HG21 THR A 38 17.870 29.451 7.527 1.00 0.00 H new ATOM 0 HG22 THR A 38 17.319 29.512 5.836 1.00 0.00 H new ATOM 0 HG23 THR A 38 17.167 30.950 6.873 1.00 0.00 H new ATOM 601 N VAL A 39 14.440 28.214 4.626 1.00 0.00 N ATOM 602 CA VAL A 39 14.557 27.619 3.283 1.00 0.00 C ATOM 603 C VAL A 39 13.645 28.307 2.257 1.00 0.00 C ATOM 604 O VAL A 39 14.116 28.587 1.154 1.00 0.00 O ATOM 605 CB VAL A 39 14.347 26.086 3.314 1.00 0.00 C ATOM 606 CG1 VAL A 39 14.092 25.476 1.926 1.00 0.00 C ATOM 607 CG2 VAL A 39 15.594 25.417 3.913 1.00 0.00 C ATOM 0 H VAL A 39 14.057 27.570 5.318 1.00 0.00 H new ATOM 0 HA VAL A 39 15.580 27.794 2.950 1.00 0.00 H new ATOM 0 HB VAL A 39 13.459 25.906 3.920 1.00 0.00 H new ATOM 0 HG11 VAL A 39 13.954 24.399 2.022 1.00 0.00 H new ATOM 0 HG12 VAL A 39 13.196 25.920 1.493 1.00 0.00 H new ATOM 0 HG13 VAL A 39 14.946 25.676 1.278 1.00 0.00 H new ATOM 0 HG21 VAL A 39 15.451 24.337 3.937 1.00 0.00 H new ATOM 0 HG22 VAL A 39 16.464 25.654 3.301 1.00 0.00 H new ATOM 0 HG23 VAL A 39 15.753 25.785 4.927 1.00 0.00 H new ATOM 617 N VAL A 40 12.386 28.638 2.580 1.00 0.00 N ATOM 618 CA VAL A 40 11.541 29.374 1.624 1.00 0.00 C ATOM 619 C VAL A 40 12.022 30.822 1.421 1.00 0.00 C ATOM 620 O VAL A 40 11.983 31.313 0.297 1.00 0.00 O ATOM 621 CB VAL A 40 10.036 29.292 1.947 1.00 0.00 C ATOM 622 CG1 VAL A 40 9.544 27.834 1.909 1.00 0.00 C ATOM 623 CG2 VAL A 40 9.628 29.955 3.266 1.00 0.00 C ATOM 0 H VAL A 40 11.939 28.416 3.469 1.00 0.00 H new ATOM 0 HA VAL A 40 11.660 28.864 0.668 1.00 0.00 H new ATOM 0 HB VAL A 40 9.547 29.869 1.162 1.00 0.00 H new ATOM 0 HG11 VAL A 40 8.479 27.803 2.140 1.00 0.00 H new ATOM 0 HG12 VAL A 40 9.712 27.419 0.915 1.00 0.00 H new ATOM 0 HG13 VAL A 40 10.092 27.246 2.645 1.00 0.00 H new ATOM 0 HG21 VAL A 40 8.553 29.848 3.410 1.00 0.00 H new ATOM 0 HG22 VAL A 40 10.154 29.476 4.092 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.887 31.013 3.236 1.00 0.00 H new ATOM 633 N GLN A 41 12.554 31.484 2.462 1.00 0.00 N ATOM 634 CA GLN A 41 13.220 32.791 2.326 1.00 0.00 C ATOM 635 C GLN A 41 14.500 32.691 1.482 1.00 0.00 C ATOM 636 O GLN A 41 14.779 33.582 0.682 1.00 0.00 O ATOM 637 CB GLN A 41 13.479 33.362 3.736 1.00 0.00 C ATOM 638 CG GLN A 41 14.017 34.806 3.756 1.00 0.00 C ATOM 639 CD GLN A 41 15.540 34.903 3.914 1.00 0.00 C ATOM 640 OE1 GLN A 41 16.063 35.128 4.999 1.00 0.00 O ATOM 641 NE2 GLN A 41 16.315 34.750 2.859 1.00 0.00 N ATOM 0 H GLN A 41 12.535 31.130 3.418 1.00 0.00 H new ATOM 0 HA GLN A 41 12.571 33.480 1.786 1.00 0.00 H new ATOM 0 HB2 GLN A 41 12.549 33.327 4.304 1.00 0.00 H new ATOM 0 HB3 GLN A 41 14.191 32.716 4.250 1.00 0.00 H new ATOM 0 HG2 GLN A 41 13.726 35.304 2.831 1.00 0.00 H new ATOM 0 HG3 GLN A 41 13.542 35.348 4.574 1.00 0.00 H new ATOM 0 HE21 GLN A 41 15.902 34.562 1.946 1.00 0.00 H new ATOM 0 HE22 GLN A 41 17.328 34.820 2.956 1.00 0.00 H new ATOM 650 N ILE A 42 15.265 31.605 1.623 1.00 0.00 N ATOM 651 CA ILE A 42 16.458 31.296 0.816 1.00 0.00 C ATOM 652 C ILE A 42 16.109 31.184 -0.670 1.00 0.00 C ATOM 653 O ILE A 42 16.785 31.811 -1.476 1.00 0.00 O ATOM 654 CB ILE A 42 17.159 30.031 1.386 1.00 0.00 C ATOM 655 CG1 ILE A 42 18.130 30.458 2.511 1.00 0.00 C ATOM 656 CG2 ILE A 42 17.855 29.155 0.328 1.00 0.00 C ATOM 657 CD1 ILE A 42 18.734 29.287 3.297 1.00 0.00 C ATOM 0 H ILE A 42 15.068 30.891 2.324 1.00 0.00 H new ATOM 0 HA ILE A 42 17.171 32.118 0.884 1.00 0.00 H new ATOM 0 HB ILE A 42 16.379 29.385 1.790 1.00 0.00 H new ATOM 0 HG12 ILE A 42 18.939 31.044 2.075 1.00 0.00 H new ATOM 0 HG13 ILE A 42 17.601 31.112 3.204 1.00 0.00 H new ATOM 0 HG21 ILE A 42 18.317 28.296 0.814 1.00 0.00 H new ATOM 0 HG22 ILE A 42 17.120 28.809 -0.399 1.00 0.00 H new ATOM 0 HG23 ILE A 42 18.621 29.739 -0.181 1.00 0.00 H new ATOM 0 HD11 ILE A 42 19.403 29.672 4.067 1.00 0.00 H new ATOM 0 HD12 ILE A 42 17.935 28.712 3.765 1.00 0.00 H new ATOM 0 HD13 ILE A 42 19.294 28.644 2.618 1.00 0.00 H new ATOM 669 N LEU A 43 15.053 30.455 -1.042 1.00 0.00 N ATOM 670 CA LEU A 43 14.637 30.292 -2.444 1.00 0.00 C ATOM 671 C LEU A 43 14.206 31.627 -3.058 1.00 0.00 C ATOM 672 O LEU A 43 14.707 32.026 -4.114 1.00 0.00 O ATOM 673 CB LEU A 43 13.492 29.266 -2.499 1.00 0.00 C ATOM 674 CG LEU A 43 13.957 27.828 -2.214 1.00 0.00 C ATOM 675 CD1 LEU A 43 12.724 26.962 -1.937 1.00 0.00 C ATOM 676 CD2 LEU A 43 14.761 27.264 -3.394 1.00 0.00 C ATOM 0 H LEU A 43 14.458 29.958 -0.379 1.00 0.00 H new ATOM 0 HA LEU A 43 15.482 29.933 -3.031 1.00 0.00 H new ATOM 0 HB2 LEU A 43 12.727 29.545 -1.774 1.00 0.00 H new ATOM 0 HB3 LEU A 43 13.026 29.303 -3.484 1.00 0.00 H new ATOM 0 HG LEU A 43 14.614 27.825 -1.344 1.00 0.00 H new ATOM 0 HD11 LEU A 43 13.037 25.938 -1.733 1.00 0.00 H new ATOM 0 HD12 LEU A 43 12.189 27.357 -1.074 1.00 0.00 H new ATOM 0 HD13 LEU A 43 12.068 26.974 -2.807 1.00 0.00 H new ATOM 0 HD21 LEU A 43 15.077 26.246 -3.165 1.00 0.00 H new ATOM 0 HD22 LEU A 43 14.139 27.258 -4.289 1.00 0.00 H new ATOM 0 HD23 LEU A 43 15.639 27.887 -3.567 1.00 0.00 H new ATOM 688 N LYS A 44 13.333 32.350 -2.349 1.00 0.00 N ATOM 689 CA LYS A 44 12.911 33.700 -2.730 1.00 0.00 C ATOM 690 C LYS A 44 14.144 34.565 -3.037 1.00 0.00 C ATOM 691 O LYS A 44 14.316 34.984 -4.182 1.00 0.00 O ATOM 692 CB LYS A 44 12.040 34.299 -1.609 1.00 0.00 C ATOM 693 CG LYS A 44 10.639 33.662 -1.580 1.00 0.00 C ATOM 694 CD LYS A 44 9.823 34.046 -0.337 1.00 0.00 C ATOM 695 CE LYS A 44 9.567 35.561 -0.267 1.00 0.00 C ATOM 696 NZ LYS A 44 8.668 35.930 0.864 1.00 0.00 N ATOM 0 H LYS A 44 12.898 32.013 -1.491 1.00 0.00 H new ATOM 0 HA LYS A 44 12.307 33.666 -3.637 1.00 0.00 H new ATOM 0 HB2 LYS A 44 12.529 34.148 -0.647 1.00 0.00 H new ATOM 0 HB3 LYS A 44 11.948 35.375 -1.754 1.00 0.00 H new ATOM 0 HG2 LYS A 44 10.092 33.964 -2.473 1.00 0.00 H new ATOM 0 HG3 LYS A 44 10.740 32.577 -1.619 1.00 0.00 H new ATOM 0 HD2 LYS A 44 8.870 33.517 -0.350 1.00 0.00 H new ATOM 0 HD3 LYS A 44 10.354 33.725 0.559 1.00 0.00 H new ATOM 0 HE2 LYS A 44 10.517 36.083 -0.158 1.00 0.00 H new ATOM 0 HE3 LYS A 44 9.124 35.896 -1.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 8.524 36.960 0.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 7.751 35.453 0.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 9.101 35.635 1.762 1.00 0.00 H new ATOM 710 N SER A 45 15.032 34.723 -2.046 1.00 0.00 N ATOM 711 CA SER A 45 16.232 35.577 -2.081 1.00 0.00 C ATOM 712 C SER A 45 17.337 35.106 -3.050 1.00 0.00 C ATOM 713 O SER A 45 18.068 35.941 -3.591 1.00 0.00 O ATOM 714 CB SER A 45 16.800 35.687 -0.656 1.00 0.00 C ATOM 715 OG SER A 45 17.758 36.732 -0.534 1.00 0.00 O ATOM 0 H SER A 45 14.930 34.237 -1.155 1.00 0.00 H new ATOM 0 HA SER A 45 15.910 36.545 -2.465 1.00 0.00 H new ATOM 0 HB2 SER A 45 15.984 35.862 0.045 1.00 0.00 H new ATOM 0 HB3 SER A 45 17.262 34.740 -0.378 1.00 0.00 H new ATOM 0 HG SER A 45 18.090 36.765 0.387 1.00 0.00 H new ATOM 721 N LEU A 46 17.451 33.795 -3.316 1.00 0.00 N ATOM 722 CA LEU A 46 18.302 33.223 -4.370 1.00 0.00 C ATOM 723 C LEU A 46 17.880 33.766 -5.746 1.00 0.00 C ATOM 724 O LEU A 46 18.726 33.915 -6.628 1.00 0.00 O ATOM 725 CB LEU A 46 18.191 31.683 -4.287 1.00 0.00 C ATOM 726 CG LEU A 46 18.888 30.876 -5.397 1.00 0.00 C ATOM 727 CD1 LEU A 46 20.407 31.086 -5.407 1.00 0.00 C ATOM 728 CD2 LEU A 46 18.581 29.382 -5.200 1.00 0.00 C ATOM 0 H LEU A 46 16.940 33.086 -2.790 1.00 0.00 H new ATOM 0 HA LEU A 46 19.344 33.509 -4.230 1.00 0.00 H new ATOM 0 HB2 LEU A 46 18.599 31.364 -3.328 1.00 0.00 H new ATOM 0 HB3 LEU A 46 17.134 31.418 -4.287 1.00 0.00 H new ATOM 0 HG LEU A 46 18.504 31.228 -6.354 1.00 0.00 H new ATOM 0 HD11 LEU A 46 20.851 30.495 -6.208 1.00 0.00 H new ATOM 0 HD12 LEU A 46 20.627 32.141 -5.570 1.00 0.00 H new ATOM 0 HD13 LEU A 46 20.824 30.771 -4.450 1.00 0.00 H new ATOM 0 HD21 LEU A 46 19.071 28.803 -5.983 1.00 0.00 H new ATOM 0 HD22 LEU A 46 18.950 29.060 -4.226 1.00 0.00 H new ATOM 0 HD23 LEU A 46 17.504 29.222 -5.251 1.00 0.00 H new ATOM 740 N ASN A 47 16.580 34.069 -5.878 1.00 0.00 N ATOM 741 CA ASN A 47 15.864 34.788 -6.947 1.00 0.00 C ATOM 742 C ASN A 47 14.969 33.789 -7.690 1.00 0.00 C ATOM 743 O ASN A 47 15.105 33.588 -8.901 1.00 0.00 O ATOM 744 CB ASN A 47 16.768 35.639 -7.870 1.00 0.00 C ATOM 745 CG ASN A 47 15.976 36.574 -8.787 1.00 0.00 C ATOM 746 OD1 ASN A 47 14.787 36.821 -8.607 1.00 0.00 O ATOM 747 ND2 ASN A 47 16.621 37.133 -9.797 1.00 0.00 N ATOM 0 H ASN A 47 15.925 33.782 -5.151 1.00 0.00 H new ATOM 0 HA ASN A 47 15.235 35.550 -6.487 1.00 0.00 H new ATOM 0 HB2 ASN A 47 17.449 36.231 -7.258 1.00 0.00 H new ATOM 0 HB3 ASN A 47 17.382 34.976 -8.479 1.00 0.00 H new ATOM 0 HD21 ASN A 47 16.131 37.769 -10.426 1.00 0.00 H new ATOM 0 HD22 ASN A 47 17.609 36.928 -9.947 1.00 0.00 H new ATOM 754 N ALA A 48 14.092 33.109 -6.938 1.00 0.00 N ATOM 755 CA ALA A 48 13.337 31.965 -7.478 1.00 0.00 C ATOM 756 C ALA A 48 11.918 31.778 -6.895 1.00 0.00 C ATOM 757 O ALA A 48 11.685 32.120 -5.730 1.00 0.00 O ATOM 758 CB ALA A 48 14.186 30.694 -7.282 1.00 0.00 C ATOM 0 H ALA A 48 13.888 33.327 -5.963 1.00 0.00 H new ATOM 0 HA ALA A 48 13.161 32.170 -8.534 1.00 0.00 H new ATOM 0 HB1 ALA A 48 13.647 29.832 -7.675 1.00 0.00 H new ATOM 0 HB2 ALA A 48 15.132 30.803 -7.813 1.00 0.00 H new ATOM 0 HB3 ALA A 48 14.381 30.547 -6.220 1.00 0.00 H new ATOM 764 N PRO A 49 10.984 31.204 -7.688 1.00 0.00 N ATOM 765 CA PRO A 49 9.672 30.765 -7.224 1.00 0.00 C ATOM 766 C PRO A 49 9.774 29.407 -6.513 1.00 0.00 C ATOM 767 O PRO A 49 10.797 28.718 -6.577 1.00 0.00 O ATOM 768 CB PRO A 49 8.817 30.665 -8.491 1.00 0.00 C ATOM 769 CG PRO A 49 9.829 30.189 -9.533 1.00 0.00 C ATOM 770 CD PRO A 49 11.111 30.915 -9.118 1.00 0.00 C ATOM 0 HA PRO A 49 9.239 31.454 -6.499 1.00 0.00 H new ATOM 0 HB2 PRO A 49 7.995 29.960 -8.372 1.00 0.00 H new ATOM 0 HB3 PRO A 49 8.377 31.625 -8.761 1.00 0.00 H new ATOM 0 HG2 PRO A 49 9.952 29.106 -9.512 1.00 0.00 H new ATOM 0 HG3 PRO A 49 9.523 30.455 -10.545 1.00 0.00 H new ATOM 0 HD2 PRO A 49 11.987 30.296 -9.312 1.00 0.00 H new ATOM 0 HD3 PRO A 49 11.238 31.835 -9.689 1.00 0.00 H new ATOM 778 N PHE A 50 8.676 29.010 -5.861 1.00 0.00 N ATOM 779 CA PHE A 50 8.553 27.754 -5.116 1.00 0.00 C ATOM 780 C PHE A 50 7.079 27.403 -4.854 1.00 0.00 C ATOM 781 O PHE A 50 6.193 28.255 -4.949 1.00 0.00 O ATOM 782 CB PHE A 50 9.358 27.836 -3.799 1.00 0.00 C ATOM 783 CG PHE A 50 8.747 28.749 -2.752 1.00 0.00 C ATOM 784 CD1 PHE A 50 8.866 30.145 -2.878 1.00 0.00 C ATOM 785 CD2 PHE A 50 8.025 28.205 -1.671 1.00 0.00 C ATOM 786 CE1 PHE A 50 8.240 30.993 -1.950 1.00 0.00 C ATOM 787 CE2 PHE A 50 7.410 29.055 -0.736 1.00 0.00 C ATOM 788 CZ PHE A 50 7.513 30.450 -0.877 1.00 0.00 C ATOM 0 H PHE A 50 7.824 29.570 -5.837 1.00 0.00 H new ATOM 0 HA PHE A 50 8.970 26.950 -5.722 1.00 0.00 H new ATOM 0 HB2 PHE A 50 9.452 26.834 -3.381 1.00 0.00 H new ATOM 0 HB3 PHE A 50 10.366 28.183 -4.024 1.00 0.00 H new ATOM 0 HD1 PHE A 50 9.440 30.566 -3.690 1.00 0.00 H new ATOM 0 HD2 PHE A 50 7.944 27.134 -1.561 1.00 0.00 H new ATOM 0 HE1 PHE A 50 8.317 32.064 -2.061 1.00 0.00 H new ATOM 0 HE2 PHE A 50 6.857 28.636 0.092 1.00 0.00 H new ATOM 0 HZ PHE A 50 7.034 31.103 -0.162 1.00 0.00 H new ATOM 798 N GLU A 51 6.829 26.153 -4.471 1.00 0.00 N ATOM 799 CA GLU A 51 5.535 25.653 -4.001 1.00 0.00 C ATOM 800 C GLU A 51 5.748 24.871 -2.694 1.00 0.00 C ATOM 801 O GLU A 51 6.880 24.580 -2.305 1.00 0.00 O ATOM 802 CB GLU A 51 4.902 24.819 -5.132 1.00 0.00 C ATOM 803 CG GLU A 51 3.489 24.277 -4.875 1.00 0.00 C ATOM 804 CD GLU A 51 2.517 25.381 -4.430 1.00 0.00 C ATOM 805 OE1 GLU A 51 1.894 26.040 -5.296 1.00 0.00 O ATOM 806 OE2 GLU A 51 2.387 25.589 -3.202 1.00 0.00 O ATOM 0 H GLU A 51 7.549 25.431 -4.479 1.00 0.00 H new ATOM 0 HA GLU A 51 4.839 26.459 -3.768 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.874 25.432 -6.033 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.558 23.974 -5.342 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.111 23.807 -5.783 1.00 0.00 H new ATOM 0 HG3 GLU A 51 3.532 23.503 -4.109 1.00 0.00 H new ATOM 813 N SER A 52 4.695 24.550 -1.955 1.00 0.00 N ATOM 814 CA SER A 52 4.788 23.807 -0.695 1.00 0.00 C ATOM 815 C SER A 52 3.519 22.981 -0.428 1.00 0.00 C ATOM 816 O SER A 52 2.416 23.527 -0.428 1.00 0.00 O ATOM 817 CB SER A 52 5.054 24.776 0.467 1.00 0.00 C ATOM 818 OG SER A 52 6.253 25.510 0.285 1.00 0.00 O ATOM 0 H SER A 52 3.740 24.798 -2.212 1.00 0.00 H new ATOM 0 HA SER A 52 5.621 23.108 -0.777 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.217 25.468 0.561 1.00 0.00 H new ATOM 0 HB3 SER A 52 5.111 24.216 1.400 1.00 0.00 H new ATOM 0 HG SER A 52 6.705 25.201 -0.528 1.00 0.00 H new ATOM 824 N VAL A 53 3.674 21.671 -0.189 1.00 0.00 N ATOM 825 CA VAL A 53 2.567 20.711 0.002 1.00 0.00 C ATOM 826 C VAL A 53 2.627 20.133 1.420 1.00 0.00 C ATOM 827 O VAL A 53 3.694 19.715 1.875 1.00 0.00 O ATOM 828 CB VAL A 53 2.616 19.573 -1.052 1.00 0.00 C ATOM 829 CG1 VAL A 53 1.420 18.617 -0.928 1.00 0.00 C ATOM 830 CG2 VAL A 53 2.658 20.116 -2.494 1.00 0.00 C ATOM 0 H VAL A 53 4.593 21.235 -0.121 1.00 0.00 H new ATOM 0 HA VAL A 53 1.624 21.241 -0.132 1.00 0.00 H new ATOM 0 HB VAL A 53 3.537 19.028 -0.845 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.497 17.837 -1.686 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.419 18.162 0.062 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.493 19.173 -1.072 1.00 0.00 H new ATOM 0 HG21 VAL A 53 2.692 19.283 -3.196 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.767 20.714 -2.684 1.00 0.00 H new ATOM 0 HG23 VAL A 53 3.545 20.736 -2.624 1.00 0.00 H new ATOM 840 N ASN A 54 1.481 20.096 2.108 1.00 0.00 N ATOM 841 CA ASN A 54 1.384 19.554 3.464 1.00 0.00 C ATOM 842 C ASN A 54 1.458 18.009 3.469 1.00 0.00 C ATOM 843 O ASN A 54 0.667 17.339 2.805 1.00 0.00 O ATOM 844 CB ASN A 54 0.096 20.065 4.136 1.00 0.00 C ATOM 845 CG ASN A 54 0.005 19.716 5.622 1.00 0.00 C ATOM 846 OD1 ASN A 54 0.919 19.158 6.219 1.00 0.00 O ATOM 847 ND2 ASN A 54 -1.094 20.051 6.266 1.00 0.00 N ATOM 0 H ASN A 54 0.595 20.442 1.739 1.00 0.00 H new ATOM 0 HA ASN A 54 2.240 19.905 4.041 1.00 0.00 H new ATOM 0 HB2 ASN A 54 0.040 21.147 4.021 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -0.766 19.644 3.618 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -1.184 19.846 7.261 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -1.855 20.515 5.770 1.00 0.00 H new ATOM 854 N ILE A 55 2.383 17.437 4.244 1.00 0.00 N ATOM 855 CA ILE A 55 2.525 15.980 4.455 1.00 0.00 C ATOM 856 C ILE A 55 1.420 15.391 5.344 1.00 0.00 C ATOM 857 O ILE A 55 1.099 14.213 5.207 1.00 0.00 O ATOM 858 CB ILE A 55 3.916 15.632 5.045 1.00 0.00 C ATOM 859 CG1 ILE A 55 4.066 16.149 6.497 1.00 0.00 C ATOM 860 CG2 ILE A 55 5.033 16.114 4.107 1.00 0.00 C ATOM 861 CD1 ILE A 55 5.454 16.050 7.124 1.00 0.00 C ATOM 0 H ILE A 55 3.075 17.982 4.759 1.00 0.00 H new ATOM 0 HA ILE A 55 2.427 15.525 3.469 1.00 0.00 H new ATOM 0 HB ILE A 55 4.007 14.548 5.111 1.00 0.00 H new ATOM 0 HG12 ILE A 55 3.757 17.194 6.519 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.369 15.598 7.127 1.00 0.00 H new ATOM 0 HG21 ILE A 55 6.003 15.862 4.536 1.00 0.00 H new ATOM 0 HG22 ILE A 55 4.928 15.628 3.137 1.00 0.00 H new ATOM 0 HG23 ILE A 55 4.962 17.194 3.981 1.00 0.00 H new ATOM 0 HD11 ILE A 55 5.423 16.445 8.140 1.00 0.00 H new ATOM 0 HD12 ILE A 55 5.768 15.007 7.149 1.00 0.00 H new ATOM 0 HD13 ILE A 55 6.163 16.628 6.531 1.00 0.00 H new ATOM 873 N LEU A 56 0.879 16.177 6.280 1.00 0.00 N ATOM 874 CA LEU A 56 -0.044 15.709 7.313 1.00 0.00 C ATOM 875 C LEU A 56 -1.507 15.740 6.834 1.00 0.00 C ATOM 876 O LEU A 56 -1.827 16.295 5.781 1.00 0.00 O ATOM 877 CB LEU A 56 0.205 16.513 8.615 1.00 0.00 C ATOM 878 CG LEU A 56 1.548 16.241 9.329 1.00 0.00 C ATOM 879 CD1 LEU A 56 1.539 16.931 10.699 1.00 0.00 C ATOM 880 CD2 LEU A 56 1.868 14.748 9.518 1.00 0.00 C ATOM 0 H LEU A 56 1.076 17.176 6.340 1.00 0.00 H new ATOM 0 HA LEU A 56 0.150 14.659 7.530 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.150 17.576 8.379 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.605 16.299 9.312 1.00 0.00 H new ATOM 0 HG LEU A 56 2.327 16.644 8.682 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.484 16.742 11.208 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.407 18.005 10.565 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.719 16.537 11.299 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.826 14.643 10.026 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.086 14.281 10.117 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.918 14.261 8.544 1.00 0.00 H new ATOM 892 N GLU A 57 -2.373 15.090 7.619 1.00 0.00 N ATOM 893 CA GLU A 57 -3.780 14.767 7.339 1.00 0.00 C ATOM 894 C GLU A 57 -3.861 13.527 6.420 1.00 0.00 C ATOM 895 O GLU A 57 -3.593 12.418 6.888 1.00 0.00 O ATOM 896 CB GLU A 57 -4.598 15.996 6.885 1.00 0.00 C ATOM 897 CG GLU A 57 -6.107 15.758 7.024 1.00 0.00 C ATOM 898 CD GLU A 57 -6.899 17.001 6.598 1.00 0.00 C ATOM 899 OE1 GLU A 57 -7.248 17.119 5.399 1.00 0.00 O ATOM 900 OE2 GLU A 57 -7.189 17.865 7.460 1.00 0.00 O ATOM 0 H GLU A 57 -2.089 14.749 8.537 1.00 0.00 H new ATOM 0 HA GLU A 57 -4.278 14.484 8.266 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -4.311 16.864 7.479 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -4.361 16.227 5.847 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.403 14.906 6.412 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -6.346 15.506 8.057 1.00 0.00 H new ATOM 907 N ASN A 58 -4.215 13.678 5.138 1.00 0.00 N ATOM 908 CA ASN A 58 -4.520 12.572 4.217 1.00 0.00 C ATOM 909 C ASN A 58 -3.385 11.531 4.092 1.00 0.00 C ATOM 910 O ASN A 58 -2.257 11.858 3.719 1.00 0.00 O ATOM 911 CB ASN A 58 -4.876 13.168 2.845 1.00 0.00 C ATOM 912 CG ASN A 58 -5.237 12.086 1.833 1.00 0.00 C ATOM 913 OD1 ASN A 58 -4.369 11.496 1.205 1.00 0.00 O ATOM 914 ND2 ASN A 58 -6.509 11.764 1.681 1.00 0.00 N ATOM 0 H ASN A 58 -4.300 14.595 4.700 1.00 0.00 H new ATOM 0 HA ASN A 58 -5.364 12.019 4.629 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -5.713 13.857 2.954 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -4.033 13.748 2.471 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -6.773 11.019 1.036 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -7.227 12.261 2.208 1.00 0.00 H new ATOM 921 N GLU A 59 -3.696 10.259 4.353 1.00 0.00 N ATOM 922 CA GLU A 59 -2.732 9.154 4.408 1.00 0.00 C ATOM 923 C GLU A 59 -2.078 8.838 3.053 1.00 0.00 C ATOM 924 O GLU A 59 -0.872 8.596 2.993 1.00 0.00 O ATOM 925 CB GLU A 59 -3.407 7.881 4.956 1.00 0.00 C ATOM 926 CG GLU A 59 -4.078 8.048 6.330 1.00 0.00 C ATOM 927 CD GLU A 59 -5.589 8.322 6.225 1.00 0.00 C ATOM 928 OE1 GLU A 59 -5.988 9.357 5.639 1.00 0.00 O ATOM 929 OE2 GLU A 59 -6.389 7.498 6.729 1.00 0.00 O ATOM 0 H GLU A 59 -4.653 9.959 4.538 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.937 9.484 5.077 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -4.157 7.547 4.239 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.659 7.091 5.026 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -3.917 7.146 6.920 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -3.601 8.869 6.865 1.00 0.00 H new ATOM 936 N LEU A 60 -2.839 8.883 1.952 1.00 0.00 N ATOM 937 CA LEU A 60 -2.325 8.593 0.609 1.00 0.00 C ATOM 938 C LEU A 60 -1.334 9.666 0.141 1.00 0.00 C ATOM 939 O LEU A 60 -0.354 9.334 -0.522 1.00 0.00 O ATOM 940 CB LEU A 60 -3.491 8.416 -0.390 1.00 0.00 C ATOM 941 CG LEU A 60 -4.222 7.054 -0.371 1.00 0.00 C ATOM 942 CD1 LEU A 60 -3.292 5.901 -0.781 1.00 0.00 C ATOM 943 CD2 LEU A 60 -4.893 6.737 0.972 1.00 0.00 C ATOM 0 H LEU A 60 -3.830 9.122 1.968 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.774 7.653 0.652 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.225 9.199 -0.198 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -3.105 8.581 -1.396 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.017 7.148 -1.111 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.844 4.961 -0.755 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.920 6.075 -1.791 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.452 5.848 -0.089 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.386 5.767 0.912 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -4.139 6.713 1.759 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -5.631 7.506 1.200 1.00 0.00 H new ATOM 955 N LEU A 61 -1.524 10.929 0.539 1.00 0.00 N ATOM 956 CA LEU A 61 -0.541 12.001 0.340 1.00 0.00 C ATOM 957 C LEU A 61 0.667 11.830 1.282 1.00 0.00 C ATOM 958 O LEU A 61 1.804 11.934 0.828 1.00 0.00 O ATOM 959 CB LEU A 61 -1.260 13.353 0.518 1.00 0.00 C ATOM 960 CG LEU A 61 -0.401 14.600 0.220 1.00 0.00 C ATOM 961 CD1 LEU A 61 0.083 14.654 -1.239 1.00 0.00 C ATOM 962 CD2 LEU A 61 -1.226 15.857 0.529 1.00 0.00 C ATOM 0 H LEU A 61 -2.372 11.239 1.013 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.129 11.959 -0.668 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.134 13.370 -0.133 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.625 13.420 1.543 1.00 0.00 H new ATOM 0 HG LEU A 61 0.486 14.548 0.851 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.682 15.552 -1.391 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.688 13.773 -1.454 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.778 14.675 -1.907 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.628 16.745 0.322 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.120 15.868 -0.095 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.517 15.852 1.580 1.00 0.00 H new ATOM 974 N ARG A 62 0.434 11.501 2.561 1.00 0.00 N ATOM 975 CA ARG A 62 1.474 11.254 3.577 1.00 0.00 C ATOM 976 C ARG A 62 2.463 10.156 3.147 1.00 0.00 C ATOM 977 O ARG A 62 3.674 10.325 3.262 1.00 0.00 O ATOM 978 CB ARG A 62 0.783 10.891 4.909 1.00 0.00 C ATOM 979 CG ARG A 62 1.696 10.960 6.144 1.00 0.00 C ATOM 980 CD ARG A 62 1.073 10.284 7.378 1.00 0.00 C ATOM 981 NE ARG A 62 -0.290 10.766 7.686 1.00 0.00 N ATOM 982 CZ ARG A 62 -1.067 10.319 8.670 1.00 0.00 C ATOM 983 NH1 ARG A 62 -0.640 9.427 9.541 1.00 0.00 N ATOM 984 NH2 ARG A 62 -2.300 10.757 8.794 1.00 0.00 N ATOM 0 H ARG A 62 -0.511 11.396 2.931 1.00 0.00 H new ATOM 0 HA ARG A 62 2.066 12.161 3.700 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -0.062 11.563 5.060 1.00 0.00 H new ATOM 0 HB3 ARG A 62 0.377 9.882 4.829 1.00 0.00 H new ATOM 0 HG2 ARG A 62 2.648 10.482 5.914 1.00 0.00 H new ATOM 0 HG3 ARG A 62 1.910 12.003 6.375 1.00 0.00 H new ATOM 0 HD2 ARG A 62 1.041 9.207 7.216 1.00 0.00 H new ATOM 0 HD3 ARG A 62 1.715 10.458 8.241 1.00 0.00 H new ATOM 0 HE ARG A 62 -0.668 11.505 7.093 1.00 0.00 H new ATOM 0 HH11 ARG A 62 0.309 9.060 9.472 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -1.259 9.103 10.285 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -2.666 11.443 8.134 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -2.891 10.411 9.550 1.00 0.00 H new ATOM 998 N GLN A 63 1.950 9.036 2.624 1.00 0.00 N ATOM 999 CA GLN A 63 2.752 7.935 2.070 1.00 0.00 C ATOM 1000 C GLN A 63 3.288 8.275 0.669 1.00 0.00 C ATOM 1001 O GLN A 63 4.448 7.994 0.361 1.00 0.00 O ATOM 1002 CB GLN A 63 1.878 6.668 2.012 1.00 0.00 C ATOM 1003 CG GLN A 63 1.492 6.133 3.403 1.00 0.00 C ATOM 1004 CD GLN A 63 0.551 4.922 3.359 1.00 0.00 C ATOM 1005 OE1 GLN A 63 0.193 4.386 2.315 1.00 0.00 O ATOM 1006 NE2 GLN A 63 0.106 4.440 4.505 1.00 0.00 N ATOM 0 H GLN A 63 0.946 8.865 2.572 1.00 0.00 H new ATOM 0 HA GLN A 63 3.615 7.769 2.715 1.00 0.00 H new ATOM 0 HB2 GLN A 63 0.970 6.886 1.449 1.00 0.00 H new ATOM 0 HB3 GLN A 63 2.413 5.890 1.466 1.00 0.00 H new ATOM 0 HG2 GLN A 63 2.399 5.858 3.941 1.00 0.00 H new ATOM 0 HG3 GLN A 63 1.015 6.932 3.970 1.00 0.00 H new ATOM 0 HE21 GLN A 63 0.391 4.871 5.385 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -0.523 3.637 4.511 1.00 0.00 H new ATOM 1015 N GLY A 64 2.464 8.913 -0.171 1.00 0.00 N ATOM 1016 CA GLY A 64 2.766 9.174 -1.579 1.00 0.00 C ATOM 1017 C GLY A 64 3.896 10.171 -1.792 1.00 0.00 C ATOM 1018 O GLY A 64 4.702 9.962 -2.688 1.00 0.00 O ATOM 0 H GLY A 64 1.552 9.268 0.117 1.00 0.00 H new ATOM 0 HA2 GLY A 64 3.027 8.234 -2.065 1.00 0.00 H new ATOM 0 HA3 GLY A 64 1.867 9.548 -2.070 1.00 0.00 H new ATOM 1022 N LEU A 65 4.018 11.213 -0.962 1.00 0.00 N ATOM 1023 CA LEU A 65 5.155 12.144 -1.005 1.00 0.00 C ATOM 1024 C LEU A 65 6.479 11.433 -0.689 1.00 0.00 C ATOM 1025 O LEU A 65 7.464 11.608 -1.408 1.00 0.00 O ATOM 1026 CB LEU A 65 4.900 13.304 -0.023 1.00 0.00 C ATOM 1027 CG LEU A 65 3.807 14.288 -0.483 1.00 0.00 C ATOM 1028 CD1 LEU A 65 3.526 15.317 0.617 1.00 0.00 C ATOM 1029 CD2 LEU A 65 4.213 15.023 -1.761 1.00 0.00 C ATOM 0 H LEU A 65 3.332 11.436 -0.241 1.00 0.00 H new ATOM 0 HA LEU A 65 5.244 12.542 -2.016 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.618 12.891 0.945 1.00 0.00 H new ATOM 0 HB3 LEU A 65 5.830 13.853 0.124 1.00 0.00 H new ATOM 0 HG LEU A 65 2.909 13.705 -0.688 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.752 16.007 0.281 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.188 14.804 1.517 1.00 0.00 H new ATOM 0 HD13 LEU A 65 4.437 15.873 0.836 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.418 15.708 -2.055 1.00 0.00 H new ATOM 0 HD22 LEU A 65 5.129 15.586 -1.582 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.382 14.300 -2.559 1.00 0.00 H new ATOM 1041 N LYS A 66 6.499 10.582 0.340 1.00 0.00 N ATOM 1042 CA LYS A 66 7.684 9.803 0.716 1.00 0.00 C ATOM 1043 C LYS A 66 8.065 8.800 -0.388 1.00 0.00 C ATOM 1044 O LYS A 66 9.222 8.757 -0.808 1.00 0.00 O ATOM 1045 CB LYS A 66 7.407 9.119 2.068 1.00 0.00 C ATOM 1046 CG LYS A 66 8.689 8.543 2.696 1.00 0.00 C ATOM 1047 CD LYS A 66 8.420 7.707 3.958 1.00 0.00 C ATOM 1048 CE LYS A 66 7.753 8.517 5.086 1.00 0.00 C ATOM 1049 NZ LYS A 66 7.568 7.695 6.317 1.00 0.00 N ATOM 0 H LYS A 66 5.691 10.412 0.939 1.00 0.00 H new ATOM 0 HA LYS A 66 8.546 10.461 0.827 1.00 0.00 H new ATOM 0 HB2 LYS A 66 6.959 9.839 2.753 1.00 0.00 H new ATOM 0 HB3 LYS A 66 6.681 8.318 1.927 1.00 0.00 H new ATOM 0 HG2 LYS A 66 9.200 7.923 1.959 1.00 0.00 H new ATOM 0 HG3 LYS A 66 9.363 9.362 2.947 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.782 6.862 3.698 1.00 0.00 H new ATOM 0 HD3 LYS A 66 9.361 7.295 4.322 1.00 0.00 H new ATOM 0 HE2 LYS A 66 8.364 9.389 5.319 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.786 8.887 4.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 7.117 8.272 7.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 6.965 6.876 6.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 8.494 7.363 6.655 1.00 0.00 H new ATOM 1063 N GLU A 67 7.096 8.034 -0.899 1.00 0.00 N ATOM 1064 CA GLU A 67 7.327 7.024 -1.941 1.00 0.00 C ATOM 1065 C GLU A 67 7.702 7.646 -3.307 1.00 0.00 C ATOM 1066 O GLU A 67 8.530 7.085 -4.026 1.00 0.00 O ATOM 1067 CB GLU A 67 6.099 6.100 -2.016 1.00 0.00 C ATOM 1068 CG GLU A 67 6.340 4.877 -2.910 1.00 0.00 C ATOM 1069 CD GLU A 67 5.308 3.769 -2.640 1.00 0.00 C ATOM 1070 OE1 GLU A 67 5.488 3.001 -1.663 1.00 0.00 O ATOM 1071 OE2 GLU A 67 4.329 3.636 -3.410 1.00 0.00 O ATOM 0 H GLU A 67 6.123 8.096 -0.601 1.00 0.00 H new ATOM 0 HA GLU A 67 8.198 6.427 -1.669 1.00 0.00 H new ATOM 0 HB2 GLU A 67 5.837 5.766 -1.012 1.00 0.00 H new ATOM 0 HB3 GLU A 67 5.247 6.663 -2.397 1.00 0.00 H new ATOM 0 HG2 GLU A 67 6.290 5.175 -3.957 1.00 0.00 H new ATOM 0 HG3 GLU A 67 7.344 4.490 -2.736 1.00 0.00 H new ATOM 1078 N TYR A 68 7.170 8.831 -3.642 1.00 0.00 N ATOM 1079 CA TYR A 68 7.562 9.602 -4.832 1.00 0.00 C ATOM 1080 C TYR A 68 8.991 10.176 -4.722 1.00 0.00 C ATOM 1081 O TYR A 68 9.725 10.211 -5.712 1.00 0.00 O ATOM 1082 CB TYR A 68 6.547 10.738 -5.038 1.00 0.00 C ATOM 1083 CG TYR A 68 6.726 11.543 -6.311 1.00 0.00 C ATOM 1084 CD1 TYR A 68 6.326 10.992 -7.544 1.00 0.00 C ATOM 1085 CD2 TYR A 68 7.266 12.844 -6.268 1.00 0.00 C ATOM 1086 CE1 TYR A 68 6.457 11.734 -8.733 1.00 0.00 C ATOM 1087 CE2 TYR A 68 7.400 13.593 -7.452 1.00 0.00 C ATOM 1088 CZ TYR A 68 6.998 13.038 -8.690 1.00 0.00 C ATOM 1089 OH TYR A 68 7.150 13.751 -9.841 1.00 0.00 O ATOM 0 H TYR A 68 6.446 9.287 -3.087 1.00 0.00 H new ATOM 0 HA TYR A 68 7.563 8.928 -5.689 1.00 0.00 H new ATOM 0 HB2 TYR A 68 5.544 10.312 -5.035 1.00 0.00 H new ATOM 0 HB3 TYR A 68 6.608 11.416 -4.187 1.00 0.00 H new ATOM 0 HD1 TYR A 68 5.916 9.993 -7.577 1.00 0.00 H new ATOM 0 HD2 TYR A 68 7.578 13.267 -5.324 1.00 0.00 H new ATOM 0 HE1 TYR A 68 6.145 11.308 -9.675 1.00 0.00 H new ATOM 0 HE2 TYR A 68 7.810 14.592 -7.416 1.00 0.00 H new ATOM 0 HH TYR A 68 6.460 13.485 -10.484 1.00 0.00 H new ATOM 1099 N SER A 69 9.387 10.626 -3.529 1.00 0.00 N ATOM 1100 CA SER A 69 10.684 11.287 -3.304 1.00 0.00 C ATOM 1101 C SER A 69 11.846 10.325 -2.990 1.00 0.00 C ATOM 1102 O SER A 69 13.002 10.691 -3.197 1.00 0.00 O ATOM 1103 CB SER A 69 10.570 12.311 -2.165 1.00 0.00 C ATOM 1104 OG SER A 69 9.454 13.171 -2.331 1.00 0.00 O ATOM 0 H SER A 69 8.818 10.544 -2.686 1.00 0.00 H new ATOM 0 HA SER A 69 10.924 11.772 -4.250 1.00 0.00 H new ATOM 0 HB2 SER A 69 10.485 11.786 -1.213 1.00 0.00 H new ATOM 0 HB3 SER A 69 11.482 12.906 -2.120 1.00 0.00 H new ATOM 0 HG SER A 69 8.628 12.671 -2.165 1.00 0.00 H new ATOM 1110 N SER A 70 11.556 9.127 -2.466 1.00 0.00 N ATOM 1111 CA SER A 70 12.487 8.033 -2.104 1.00 0.00 C ATOM 1112 C SER A 70 13.291 8.302 -0.814 1.00 0.00 C ATOM 1113 O SER A 70 13.441 7.408 0.024 1.00 0.00 O ATOM 1114 CB SER A 70 13.453 7.658 -3.248 1.00 0.00 C ATOM 1115 OG SER A 70 12.749 7.231 -4.408 1.00 0.00 O ATOM 0 H SER A 70 10.589 8.870 -2.266 1.00 0.00 H new ATOM 0 HA SER A 70 11.830 7.184 -1.914 1.00 0.00 H new ATOM 0 HB2 SER A 70 14.076 8.517 -3.495 1.00 0.00 H new ATOM 0 HB3 SER A 70 14.122 6.865 -2.915 1.00 0.00 H new ATOM 0 HG SER A 70 13.389 7.003 -5.114 1.00 0.00 H new ATOM 1121 N TRP A 71 13.778 9.531 -0.622 1.00 0.00 N ATOM 1122 CA TRP A 71 14.425 9.993 0.606 1.00 0.00 C ATOM 1123 C TRP A 71 13.400 10.085 1.765 1.00 0.00 C ATOM 1124 O TRP A 71 12.336 10.695 1.590 1.00 0.00 O ATOM 1125 CB TRP A 71 15.116 11.334 0.322 1.00 0.00 C ATOM 1126 CG TRP A 71 15.780 12.027 1.479 1.00 0.00 C ATOM 1127 CD1 TRP A 71 15.130 12.739 2.425 1.00 0.00 C ATOM 1128 CD2 TRP A 71 17.200 12.129 1.830 1.00 0.00 C ATOM 1129 NE1 TRP A 71 16.025 13.294 3.311 1.00 0.00 N ATOM 1130 CE2 TRP A 71 17.318 12.960 2.987 1.00 0.00 C ATOM 1131 CE3 TRP A 71 18.403 11.614 1.298 1.00 0.00 C ATOM 1132 CZ2 TRP A 71 18.550 13.279 3.570 1.00 0.00 C ATOM 1133 CZ3 TRP A 71 19.651 11.934 1.870 1.00 0.00 C ATOM 1134 CH2 TRP A 71 19.729 12.767 3.002 1.00 0.00 C ATOM 0 H TRP A 71 13.731 10.254 -1.340 1.00 0.00 H new ATOM 0 HA TRP A 71 15.182 9.278 0.927 1.00 0.00 H new ATOM 0 HB2 TRP A 71 15.869 11.169 -0.449 1.00 0.00 H new ATOM 0 HB3 TRP A 71 14.374 12.014 -0.097 1.00 0.00 H new ATOM 0 HD1 TRP A 71 14.058 12.856 2.479 1.00 0.00 H new ATOM 0 HE1 TRP A 71 15.763 13.878 4.105 1.00 0.00 H new ATOM 0 HE3 TRP A 71 18.366 10.963 0.437 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 18.594 13.910 4.445 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 20.556 11.536 1.435 1.00 0.00 H new ATOM 0 HH2 TRP A 71 20.689 13.011 3.432 1.00 0.00 H new ATOM 1145 N PRO A 72 13.686 9.491 2.945 1.00 0.00 N ATOM 1146 CA PRO A 72 12.774 9.468 4.084 1.00 0.00 C ATOM 1147 C PRO A 72 12.848 10.762 4.909 1.00 0.00 C ATOM 1148 O PRO A 72 13.859 11.463 4.879 1.00 0.00 O ATOM 1149 CB PRO A 72 13.211 8.255 4.911 1.00 0.00 C ATOM 1150 CG PRO A 72 14.722 8.231 4.695 1.00 0.00 C ATOM 1151 CD PRO A 72 14.866 8.687 3.241 1.00 0.00 C ATOM 0 HA PRO A 72 11.735 9.396 3.763 1.00 0.00 H new ATOM 0 HB2 PRO A 72 12.954 8.369 5.964 1.00 0.00 H new ATOM 0 HB3 PRO A 72 12.737 7.336 4.565 1.00 0.00 H new ATOM 0 HG2 PRO A 72 15.239 8.901 5.382 1.00 0.00 H new ATOM 0 HG3 PRO A 72 15.137 7.235 4.849 1.00 0.00 H new ATOM 0 HD2 PRO A 72 15.777 9.269 3.105 1.00 0.00 H new ATOM 0 HD3 PRO A 72 14.931 7.831 2.570 1.00 0.00 H new ATOM 1159 N THR A 73 11.783 11.030 5.680 1.00 0.00 N ATOM 1160 CA THR A 73 11.610 12.119 6.670 1.00 0.00 C ATOM 1161 C THR A 73 11.369 13.495 6.036 1.00 0.00 C ATOM 1162 O THR A 73 11.625 13.722 4.850 1.00 0.00 O ATOM 1163 CB THR A 73 12.709 12.181 7.754 1.00 0.00 C ATOM 1164 OG1 THR A 73 13.903 12.674 7.210 1.00 0.00 O ATOM 1165 CG2 THR A 73 12.981 10.822 8.403 1.00 0.00 C ATOM 0 H THR A 73 10.948 10.446 5.627 1.00 0.00 H new ATOM 0 HA THR A 73 10.692 11.842 7.189 1.00 0.00 H new ATOM 0 HB THR A 73 12.339 12.852 8.529 1.00 0.00 H new ATOM 0 HG1 THR A 73 13.877 12.589 6.234 1.00 0.00 H new ATOM 0 HG21 THR A 73 13.762 10.928 9.156 1.00 0.00 H new ATOM 0 HG22 THR A 73 12.069 10.455 8.875 1.00 0.00 H new ATOM 0 HG23 THR A 73 13.306 10.113 7.641 1.00 0.00 H new ATOM 1173 N PHE A 74 10.856 14.414 6.859 1.00 0.00 N ATOM 1174 CA PHE A 74 10.430 15.769 6.495 1.00 0.00 C ATOM 1175 C PHE A 74 10.764 16.773 7.632 1.00 0.00 C ATOM 1176 O PHE A 74 10.909 16.338 8.782 1.00 0.00 O ATOM 1177 CB PHE A 74 8.916 15.737 6.215 1.00 0.00 C ATOM 1178 CG PHE A 74 8.493 14.807 5.092 1.00 0.00 C ATOM 1179 CD1 PHE A 74 8.704 15.182 3.751 1.00 0.00 C ATOM 1180 CD2 PHE A 74 7.874 13.574 5.379 1.00 0.00 C ATOM 1181 CE1 PHE A 74 8.309 14.330 2.703 1.00 0.00 C ATOM 1182 CE2 PHE A 74 7.467 12.728 4.332 1.00 0.00 C ATOM 1183 CZ PHE A 74 7.684 13.106 2.996 1.00 0.00 C ATOM 0 H PHE A 74 10.719 14.222 7.851 1.00 0.00 H new ATOM 0 HA PHE A 74 10.963 16.102 5.604 1.00 0.00 H new ATOM 0 HB2 PHE A 74 8.399 15.440 7.127 1.00 0.00 H new ATOM 0 HB3 PHE A 74 8.584 16.747 5.975 1.00 0.00 H new ATOM 0 HD1 PHE A 74 9.172 16.129 3.526 1.00 0.00 H new ATOM 0 HD2 PHE A 74 7.712 13.278 6.405 1.00 0.00 H new ATOM 0 HE1 PHE A 74 8.486 14.616 1.677 1.00 0.00 H new ATOM 0 HE2 PHE A 74 6.987 11.787 4.555 1.00 0.00 H new ATOM 0 HZ PHE A 74 7.370 12.455 2.193 1.00 0.00 H new ATOM 1193 N PRO A 75 10.844 18.099 7.371 1.00 0.00 N ATOM 1194 CA PRO A 75 10.698 18.781 6.081 1.00 0.00 C ATOM 1195 C PRO A 75 11.740 18.367 5.035 1.00 0.00 C ATOM 1196 O PRO A 75 12.867 18.012 5.377 1.00 0.00 O ATOM 1197 CB PRO A 75 10.808 20.281 6.384 1.00 0.00 C ATOM 1198 CG PRO A 75 10.417 20.385 7.854 1.00 0.00 C ATOM 1199 CD PRO A 75 10.982 19.092 8.429 1.00 0.00 C ATOM 0 HA PRO A 75 9.741 18.508 5.637 1.00 0.00 H new ATOM 0 HB2 PRO A 75 11.819 20.651 6.212 1.00 0.00 H new ATOM 0 HB3 PRO A 75 10.142 20.867 5.751 1.00 0.00 H new ATOM 0 HG2 PRO A 75 10.850 21.265 8.329 1.00 0.00 H new ATOM 0 HG3 PRO A 75 9.337 20.451 7.984 1.00 0.00 H new ATOM 0 HD2 PRO A 75 12.026 19.215 8.718 1.00 0.00 H new ATOM 0 HD3 PRO A 75 10.437 18.790 9.324 1.00 0.00 H new ATOM 1207 N GLN A 76 11.358 18.417 3.755 1.00 0.00 N ATOM 1208 CA GLN A 76 12.175 17.955 2.628 1.00 0.00 C ATOM 1209 C GLN A 76 11.905 18.816 1.384 1.00 0.00 C ATOM 1210 O GLN A 76 10.792 19.306 1.193 1.00 0.00 O ATOM 1211 CB GLN A 76 11.846 16.469 2.381 1.00 0.00 C ATOM 1212 CG GLN A 76 12.837 15.722 1.477 1.00 0.00 C ATOM 1213 CD GLN A 76 12.325 14.337 1.068 1.00 0.00 C ATOM 1214 OE1 GLN A 76 12.474 13.924 -0.072 1.00 0.00 O ATOM 1215 NE2 GLN A 76 11.725 13.557 1.948 1.00 0.00 N ATOM 0 H GLN A 76 10.452 18.788 3.467 1.00 0.00 H new ATOM 0 HA GLN A 76 13.237 18.054 2.854 1.00 0.00 H new ATOM 0 HB2 GLN A 76 11.801 15.959 3.343 1.00 0.00 H new ATOM 0 HB3 GLN A 76 10.853 16.402 1.937 1.00 0.00 H new ATOM 0 HG2 GLN A 76 13.027 16.315 0.582 1.00 0.00 H new ATOM 0 HG3 GLN A 76 13.789 15.615 1.996 1.00 0.00 H new ATOM 0 HE21 GLN A 76 11.589 13.879 2.906 1.00 0.00 H new ATOM 0 HE22 GLN A 76 11.398 12.632 1.670 1.00 0.00 H new ATOM 1224 N LEU A 77 12.918 18.989 0.529 1.00 0.00 N ATOM 1225 CA LEU A 77 12.851 19.747 -0.722 1.00 0.00 C ATOM 1226 C LEU A 77 13.036 18.814 -1.931 1.00 0.00 C ATOM 1227 O LEU A 77 13.870 17.906 -1.916 1.00 0.00 O ATOM 1228 CB LEU A 77 13.902 20.877 -0.637 1.00 0.00 C ATOM 1229 CG LEU A 77 13.788 21.969 -1.723 1.00 0.00 C ATOM 1230 CD1 LEU A 77 14.336 23.296 -1.192 1.00 0.00 C ATOM 1231 CD2 LEU A 77 14.597 21.648 -2.982 1.00 0.00 C ATOM 0 H LEU A 77 13.841 18.589 0.697 1.00 0.00 H new ATOM 0 HA LEU A 77 11.871 20.202 -0.865 1.00 0.00 H new ATOM 0 HB2 LEU A 77 13.823 21.351 0.341 1.00 0.00 H new ATOM 0 HB3 LEU A 77 14.895 20.432 -0.696 1.00 0.00 H new ATOM 0 HG LEU A 77 12.729 22.024 -1.974 1.00 0.00 H new ATOM 0 HD11 LEU A 77 14.251 24.060 -1.965 1.00 0.00 H new ATOM 0 HD12 LEU A 77 13.764 23.601 -0.316 1.00 0.00 H new ATOM 0 HD13 LEU A 77 15.383 23.173 -0.917 1.00 0.00 H new ATOM 0 HD21 LEU A 77 14.476 22.453 -3.707 1.00 0.00 H new ATOM 0 HD22 LEU A 77 15.651 21.549 -2.722 1.00 0.00 H new ATOM 0 HD23 LEU A 77 14.241 20.713 -3.415 1.00 0.00 H new ATOM 1243 N TYR A 78 12.264 19.066 -2.987 1.00 0.00 N ATOM 1244 CA TYR A 78 12.277 18.367 -4.277 1.00 0.00 C ATOM 1245 C TYR A 78 12.287 19.389 -5.430 1.00 0.00 C ATOM 1246 O TYR A 78 11.672 20.456 -5.312 1.00 0.00 O ATOM 1247 CB TYR A 78 11.030 17.466 -4.326 1.00 0.00 C ATOM 1248 CG TYR A 78 10.967 16.460 -5.463 1.00 0.00 C ATOM 1249 CD1 TYR A 78 10.644 16.878 -6.770 1.00 0.00 C ATOM 1250 CD2 TYR A 78 11.189 15.092 -5.203 1.00 0.00 C ATOM 1251 CE1 TYR A 78 10.559 15.939 -7.814 1.00 0.00 C ATOM 1252 CE2 TYR A 78 11.088 14.146 -6.242 1.00 0.00 C ATOM 1253 CZ TYR A 78 10.765 14.568 -7.550 1.00 0.00 C ATOM 1254 OH TYR A 78 10.648 13.657 -8.556 1.00 0.00 O ATOM 0 H TYR A 78 11.567 19.811 -2.966 1.00 0.00 H new ATOM 0 HA TYR A 78 13.173 17.756 -4.386 1.00 0.00 H new ATOM 0 HB2 TYR A 78 10.965 16.921 -3.384 1.00 0.00 H new ATOM 0 HB3 TYR A 78 10.149 18.105 -4.386 1.00 0.00 H new ATOM 0 HD1 TYR A 78 10.461 17.923 -6.971 1.00 0.00 H new ATOM 0 HD2 TYR A 78 11.438 14.768 -4.203 1.00 0.00 H new ATOM 0 HE1 TYR A 78 10.336 16.268 -8.818 1.00 0.00 H new ATOM 0 HE2 TYR A 78 11.257 13.099 -6.038 1.00 0.00 H new ATOM 0 HH TYR A 78 9.721 13.342 -8.606 1.00 0.00 H new ATOM 1264 N ILE A 79 12.963 19.093 -6.549 1.00 0.00 N ATOM 1265 CA ILE A 79 13.057 20.003 -7.705 1.00 0.00 C ATOM 1266 C ILE A 79 12.885 19.270 -9.045 1.00 0.00 C ATOM 1267 O ILE A 79 13.689 18.402 -9.377 1.00 0.00 O ATOM 1268 CB ILE A 79 14.381 20.817 -7.724 1.00 0.00 C ATOM 1269 CG1 ILE A 79 14.851 21.312 -6.339 1.00 0.00 C ATOM 1270 CG2 ILE A 79 14.157 22.020 -8.659 1.00 0.00 C ATOM 1271 CD1 ILE A 79 16.179 22.084 -6.349 1.00 0.00 C ATOM 0 H ILE A 79 13.462 18.213 -6.681 1.00 0.00 H new ATOM 0 HA ILE A 79 12.229 20.701 -7.583 1.00 0.00 H new ATOM 0 HB ILE A 79 15.175 20.155 -8.070 1.00 0.00 H new ATOM 0 HG12 ILE A 79 14.077 21.953 -5.916 1.00 0.00 H new ATOM 0 HG13 ILE A 79 14.951 20.453 -5.676 1.00 0.00 H new ATOM 0 HG21 ILE A 79 15.065 22.621 -8.702 1.00 0.00 H new ATOM 0 HG22 ILE A 79 13.911 21.663 -9.659 1.00 0.00 H new ATOM 0 HG23 ILE A 79 13.337 22.629 -8.279 1.00 0.00 H new ATOM 0 HD11 ILE A 79 16.429 22.392 -5.334 1.00 0.00 H new ATOM 0 HD12 ILE A 79 16.970 21.443 -6.739 1.00 0.00 H new ATOM 0 HD13 ILE A 79 16.082 22.966 -6.982 1.00 0.00 H new ATOM 1283 N ASP A 80 11.851 19.654 -9.806 1.00 0.00 N ATOM 1284 CA ASP A 80 11.533 19.325 -11.215 1.00 0.00 C ATOM 1285 C ASP A 80 11.245 17.844 -11.546 1.00 0.00 C ATOM 1286 O ASP A 80 10.311 17.544 -12.288 1.00 0.00 O ATOM 1287 CB ASP A 80 12.634 19.886 -12.124 1.00 0.00 C ATOM 1288 CG ASP A 80 12.164 19.977 -13.581 1.00 0.00 C ATOM 1289 OD1 ASP A 80 11.389 20.914 -13.888 1.00 0.00 O ATOM 1290 OD2 ASP A 80 12.588 19.132 -14.404 1.00 0.00 O ATOM 0 H ASP A 80 11.137 20.268 -9.414 1.00 0.00 H new ATOM 0 HA ASP A 80 10.571 19.803 -11.401 1.00 0.00 H new ATOM 0 HB2 ASP A 80 12.929 20.875 -11.773 1.00 0.00 H new ATOM 0 HB3 ASP A 80 13.517 19.250 -12.064 1.00 0.00 H new ATOM 1295 N GLY A 81 12.045 16.935 -10.995 1.00 0.00 N ATOM 1296 CA GLY A 81 12.015 15.483 -11.190 1.00 0.00 C ATOM 1297 C GLY A 81 13.005 14.710 -10.307 1.00 0.00 C ATOM 1298 O GLY A 81 13.198 13.515 -10.533 1.00 0.00 O ATOM 0 H GLY A 81 12.787 17.212 -10.352 1.00 0.00 H new ATOM 0 HA2 GLY A 81 11.007 15.121 -10.989 1.00 0.00 H new ATOM 0 HA3 GLY A 81 12.230 15.263 -12.236 1.00 0.00 H new ATOM 1302 N GLU A 82 13.647 15.369 -9.334 1.00 0.00 N ATOM 1303 CA GLU A 82 14.618 14.781 -8.405 1.00 0.00 C ATOM 1304 C GLU A 82 14.417 15.347 -6.988 1.00 0.00 C ATOM 1305 O GLU A 82 14.102 16.530 -6.828 1.00 0.00 O ATOM 1306 CB GLU A 82 16.058 15.094 -8.862 1.00 0.00 C ATOM 1307 CG GLU A 82 16.426 14.498 -10.230 1.00 0.00 C ATOM 1308 CD GLU A 82 17.895 14.773 -10.584 1.00 0.00 C ATOM 1309 OE1 GLU A 82 18.779 13.995 -10.153 1.00 0.00 O ATOM 1310 OE2 GLU A 82 18.175 15.750 -11.318 1.00 0.00 O ATOM 0 H GLU A 82 13.498 16.364 -9.167 1.00 0.00 H new ATOM 0 HA GLU A 82 14.462 13.702 -8.395 1.00 0.00 H new ATOM 0 HB2 GLU A 82 16.188 16.175 -8.902 1.00 0.00 H new ATOM 0 HB3 GLU A 82 16.755 14.717 -8.114 1.00 0.00 H new ATOM 0 HG2 GLU A 82 16.248 13.423 -10.220 1.00 0.00 H new ATOM 0 HG3 GLU A 82 15.779 14.921 -10.999 1.00 0.00 H new ATOM 1317 N PHE A 83 14.633 14.533 -5.947 1.00 0.00 N ATOM 1318 CA PHE A 83 14.683 15.038 -4.572 1.00 0.00 C ATOM 1319 C PHE A 83 16.022 15.761 -4.325 1.00 0.00 C ATOM 1320 O PHE A 83 17.039 15.443 -4.951 1.00 0.00 O ATOM 1321 CB PHE A 83 14.409 13.914 -3.557 1.00 0.00 C ATOM 1322 CG PHE A 83 15.643 13.136 -3.146 1.00 0.00 C ATOM 1323 CD1 PHE A 83 16.400 13.581 -2.046 1.00 0.00 C ATOM 1324 CD2 PHE A 83 16.078 12.024 -3.892 1.00 0.00 C ATOM 1325 CE1 PHE A 83 17.608 12.951 -1.721 1.00 0.00 C ATOM 1326 CE2 PHE A 83 17.279 11.377 -3.551 1.00 0.00 C ATOM 1327 CZ PHE A 83 18.049 11.848 -2.474 1.00 0.00 C ATOM 0 H PHE A 83 14.775 13.526 -6.031 1.00 0.00 H new ATOM 0 HA PHE A 83 13.889 15.771 -4.429 1.00 0.00 H new ATOM 0 HB2 PHE A 83 13.952 14.347 -2.667 1.00 0.00 H new ATOM 0 HB3 PHE A 83 13.682 13.223 -3.984 1.00 0.00 H new ATOM 0 HD1 PHE A 83 16.048 14.411 -1.451 1.00 0.00 H new ATOM 0 HD2 PHE A 83 15.490 11.668 -4.725 1.00 0.00 H new ATOM 0 HE1 PHE A 83 18.200 13.312 -0.893 1.00 0.00 H new ATOM 0 HE2 PHE A 83 17.610 10.518 -4.117 1.00 0.00 H new ATOM 0 HZ PHE A 83 18.981 11.362 -2.224 1.00 0.00 H new ATOM 1337 N PHE A 84 16.030 16.729 -3.403 1.00 0.00 N ATOM 1338 CA PHE A 84 17.214 17.519 -3.050 1.00 0.00 C ATOM 1339 C PHE A 84 17.741 17.198 -1.639 1.00 0.00 C ATOM 1340 O PHE A 84 18.956 17.147 -1.441 1.00 0.00 O ATOM 1341 CB PHE A 84 16.845 18.997 -3.198 1.00 0.00 C ATOM 1342 CG PHE A 84 18.027 19.940 -3.112 1.00 0.00 C ATOM 1343 CD1 PHE A 84 18.874 20.109 -4.224 1.00 0.00 C ATOM 1344 CD2 PHE A 84 18.278 20.643 -1.921 1.00 0.00 C ATOM 1345 CE1 PHE A 84 19.976 20.979 -4.140 1.00 0.00 C ATOM 1346 CE2 PHE A 84 19.377 21.514 -1.841 1.00 0.00 C ATOM 1347 CZ PHE A 84 20.225 21.678 -2.947 1.00 0.00 C ATOM 0 H PHE A 84 15.199 16.990 -2.872 1.00 0.00 H new ATOM 0 HA PHE A 84 18.034 17.265 -3.722 1.00 0.00 H new ATOM 0 HB2 PHE A 84 16.347 19.142 -4.157 1.00 0.00 H new ATOM 0 HB3 PHE A 84 16.126 19.261 -2.422 1.00 0.00 H new ATOM 0 HD1 PHE A 84 18.678 19.571 -5.140 1.00 0.00 H new ATOM 0 HD2 PHE A 84 17.627 20.514 -1.069 1.00 0.00 H new ATOM 0 HE1 PHE A 84 20.629 21.109 -4.990 1.00 0.00 H new ATOM 0 HE2 PHE A 84 19.569 22.058 -0.928 1.00 0.00 H new ATOM 0 HZ PHE A 84 21.072 22.344 -2.881 1.00 0.00 H new ATOM 1357 N GLY A 85 16.843 16.933 -0.677 1.00 0.00 N ATOM 1358 CA GLY A 85 17.171 16.513 0.694 1.00 0.00 C ATOM 1359 C GLY A 85 16.410 17.295 1.764 1.00 0.00 C ATOM 1360 O GLY A 85 15.354 17.862 1.492 1.00 0.00 O ATOM 0 H GLY A 85 15.838 17.007 -0.837 1.00 0.00 H new ATOM 0 HA2 GLY A 85 16.950 15.451 0.804 1.00 0.00 H new ATOM 0 HA3 GLY A 85 18.242 16.635 0.858 1.00 0.00 H new ATOM 1364 N GLY A 86 16.930 17.300 2.996 1.00 0.00 N ATOM 1365 CA GLY A 86 16.311 17.971 4.152 1.00 0.00 C ATOM 1366 C GLY A 86 16.457 19.494 4.140 1.00 0.00 C ATOM 1367 O GLY A 86 17.229 20.059 3.363 1.00 0.00 O ATOM 0 H GLY A 86 17.807 16.831 3.225 1.00 0.00 H new ATOM 0 HA2 GLY A 86 15.251 17.718 4.181 1.00 0.00 H new ATOM 0 HA3 GLY A 86 16.757 17.581 5.067 1.00 0.00 H new ATOM 1371 N CYS A 87 15.739 20.181 5.030 1.00 0.00 N ATOM 1372 CA CYS A 87 15.755 21.646 5.145 1.00 0.00 C ATOM 1373 C CYS A 87 17.099 22.193 5.670 1.00 0.00 C ATOM 1374 O CYS A 87 17.711 23.045 5.028 1.00 0.00 O ATOM 1375 CB CYS A 87 14.536 22.074 5.987 1.00 0.00 C ATOM 1376 SG CYS A 87 14.470 21.159 7.564 1.00 0.00 S ATOM 0 H CYS A 87 15.119 19.731 5.703 1.00 0.00 H new ATOM 0 HA CYS A 87 15.670 22.093 4.155 1.00 0.00 H new ATOM 0 HB2 CYS A 87 14.586 23.144 6.186 1.00 0.00 H new ATOM 0 HB3 CYS A 87 13.621 21.897 5.422 1.00 0.00 H new ATOM 0 HG CYS A 87 13.434 21.546 8.247 1.00 0.00 H new ATOM 1382 N ASP A 88 17.628 21.652 6.767 1.00 0.00 N ATOM 1383 CA ASP A 88 18.959 22.014 7.286 1.00 0.00 C ATOM 1384 C ASP A 88 20.072 21.710 6.261 1.00 0.00 C ATOM 1385 O ASP A 88 20.961 22.533 6.044 1.00 0.00 O ATOM 1386 CB ASP A 88 19.199 21.277 8.611 1.00 0.00 C ATOM 1387 CG ASP A 88 20.583 21.587 9.209 1.00 0.00 C ATOM 1388 OD1 ASP A 88 20.878 22.777 9.476 1.00 0.00 O ATOM 1389 OD2 ASP A 88 21.365 20.631 9.433 1.00 0.00 O ATOM 0 H ASP A 88 17.149 20.947 7.327 1.00 0.00 H new ATOM 0 HA ASP A 88 18.989 23.089 7.464 1.00 0.00 H new ATOM 0 HB2 ASP A 88 18.426 21.558 9.326 1.00 0.00 H new ATOM 0 HB3 ASP A 88 19.108 20.203 8.449 1.00 0.00 H new ATOM 1394 N ILE A 89 19.954 20.580 5.547 1.00 0.00 N ATOM 1395 CA ILE A 89 20.823 20.243 4.400 1.00 0.00 C ATOM 1396 C ILE A 89 20.711 21.321 3.308 1.00 0.00 C ATOM 1397 O ILE A 89 21.734 21.756 2.781 1.00 0.00 O ATOM 1398 CB ILE A 89 20.513 18.817 3.870 1.00 0.00 C ATOM 1399 CG1 ILE A 89 20.874 17.763 4.950 1.00 0.00 C ATOM 1400 CG2 ILE A 89 21.272 18.528 2.560 1.00 0.00 C ATOM 1401 CD1 ILE A 89 20.468 16.324 4.601 1.00 0.00 C ATOM 0 H ILE A 89 19.251 19.869 5.747 1.00 0.00 H new ATOM 0 HA ILE A 89 21.861 20.231 4.732 1.00 0.00 H new ATOM 0 HB ILE A 89 19.446 18.757 3.654 1.00 0.00 H new ATOM 0 HG12 ILE A 89 21.950 17.791 5.121 1.00 0.00 H new ATOM 0 HG13 ILE A 89 20.395 18.044 5.888 1.00 0.00 H new ATOM 0 HG21 ILE A 89 21.033 17.522 2.216 1.00 0.00 H new ATOM 0 HG22 ILE A 89 20.976 19.252 1.801 1.00 0.00 H new ATOM 0 HG23 ILE A 89 22.345 18.606 2.736 1.00 0.00 H new ATOM 0 HD11 ILE A 89 20.759 15.657 5.412 1.00 0.00 H new ATOM 0 HD12 ILE A 89 19.388 16.274 4.461 1.00 0.00 H new ATOM 0 HD13 ILE A 89 20.968 16.018 3.682 1.00 0.00 H new ATOM 1413 N THR A 90 19.497 21.813 3.018 1.00 0.00 N ATOM 1414 CA THR A 90 19.256 22.899 2.051 1.00 0.00 C ATOM 1415 C THR A 90 19.923 24.196 2.485 1.00 0.00 C ATOM 1416 O THR A 90 20.518 24.856 1.640 1.00 0.00 O ATOM 1417 CB THR A 90 17.760 23.117 1.790 1.00 0.00 C ATOM 1418 OG1 THR A 90 17.203 21.935 1.265 1.00 0.00 O ATOM 1419 CG2 THR A 90 17.518 24.231 0.768 1.00 0.00 C ATOM 0 H THR A 90 18.643 21.464 3.453 1.00 0.00 H new ATOM 0 HA THR A 90 19.711 22.585 1.111 1.00 0.00 H new ATOM 0 HB THR A 90 17.300 23.394 2.739 1.00 0.00 H new ATOM 0 HG1 THR A 90 17.190 21.243 1.959 1.00 0.00 H new ATOM 0 HG21 THR A 90 16.446 24.354 0.611 1.00 0.00 H new ATOM 0 HG22 THR A 90 17.940 25.164 1.141 1.00 0.00 H new ATOM 0 HG23 THR A 90 17.995 23.969 -0.176 1.00 0.00 H new ATOM 1427 N VAL A 91 19.884 24.548 3.773 1.00 0.00 N ATOM 1428 CA VAL A 91 20.567 25.757 4.280 1.00 0.00 C ATOM 1429 C VAL A 91 22.080 25.717 3.984 1.00 0.00 C ATOM 1430 O VAL A 91 22.620 26.697 3.470 1.00 0.00 O ATOM 1431 CB VAL A 91 20.298 26.008 5.787 1.00 0.00 C ATOM 1432 CG1 VAL A 91 21.071 27.232 6.315 1.00 0.00 C ATOM 1433 CG2 VAL A 91 18.800 26.251 6.052 1.00 0.00 C ATOM 0 H VAL A 91 19.388 24.017 4.489 1.00 0.00 H new ATOM 0 HA VAL A 91 20.139 26.601 3.740 1.00 0.00 H new ATOM 0 HB VAL A 91 20.636 25.111 6.306 1.00 0.00 H new ATOM 0 HG11 VAL A 91 20.853 27.371 7.374 1.00 0.00 H new ATOM 0 HG12 VAL A 91 22.141 27.071 6.183 1.00 0.00 H new ATOM 0 HG13 VAL A 91 20.766 28.121 5.762 1.00 0.00 H new ATOM 0 HG21 VAL A 91 18.642 26.424 7.117 1.00 0.00 H new ATOM 0 HG22 VAL A 91 18.468 27.124 5.490 1.00 0.00 H new ATOM 0 HG23 VAL A 91 18.229 25.378 5.738 1.00 0.00 H new ATOM 1443 N GLU A 92 22.771 24.599 4.251 1.00 0.00 N ATOM 1444 CA GLU A 92 24.202 24.472 3.920 1.00 0.00 C ATOM 1445 C GLU A 92 24.471 24.294 2.412 1.00 0.00 C ATOM 1446 O GLU A 92 25.486 24.781 1.910 1.00 0.00 O ATOM 1447 CB GLU A 92 24.900 23.395 4.765 1.00 0.00 C ATOM 1448 CG GLU A 92 24.406 21.963 4.559 1.00 0.00 C ATOM 1449 CD GLU A 92 25.266 20.975 5.363 1.00 0.00 C ATOM 1450 OE1 GLU A 92 24.958 20.718 6.551 1.00 0.00 O ATOM 1451 OE2 GLU A 92 26.262 20.445 4.813 1.00 0.00 O ATOM 0 H GLU A 92 22.367 23.773 4.693 1.00 0.00 H new ATOM 0 HA GLU A 92 24.650 25.429 4.187 1.00 0.00 H new ATOM 0 HB2 GLU A 92 25.968 23.425 4.548 1.00 0.00 H new ATOM 0 HB3 GLU A 92 24.781 23.652 5.817 1.00 0.00 H new ATOM 0 HG2 GLU A 92 23.364 21.883 4.870 1.00 0.00 H new ATOM 0 HG3 GLU A 92 24.443 21.708 3.500 1.00 0.00 H new ATOM 1458 N ALA A 93 23.570 23.654 1.662 1.00 0.00 N ATOM 1459 CA ALA A 93 23.661 23.516 0.206 1.00 0.00 C ATOM 1460 C ALA A 93 23.539 24.864 -0.524 1.00 0.00 C ATOM 1461 O ALA A 93 24.241 25.097 -1.508 1.00 0.00 O ATOM 1462 CB ALA A 93 22.578 22.530 -0.241 1.00 0.00 C ATOM 0 H ALA A 93 22.742 23.209 2.057 1.00 0.00 H new ATOM 0 HA ALA A 93 24.648 23.136 -0.058 1.00 0.00 H new ATOM 0 HB1 ALA A 93 22.622 22.407 -1.323 1.00 0.00 H new ATOM 0 HB2 ALA A 93 22.742 21.566 0.240 1.00 0.00 H new ATOM 0 HB3 ALA A 93 21.598 22.914 0.041 1.00 0.00 H new ATOM 1468 N TYR A 94 22.705 25.780 -0.027 1.00 0.00 N ATOM 1469 CA TYR A 94 22.634 27.176 -0.477 1.00 0.00 C ATOM 1470 C TYR A 94 23.940 27.937 -0.203 1.00 0.00 C ATOM 1471 O TYR A 94 24.461 28.601 -1.099 1.00 0.00 O ATOM 1472 CB TYR A 94 21.443 27.851 0.219 1.00 0.00 C ATOM 1473 CG TYR A 94 21.388 29.359 0.047 1.00 0.00 C ATOM 1474 CD1 TYR A 94 21.081 29.922 -1.208 1.00 0.00 C ATOM 1475 CD2 TYR A 94 21.649 30.200 1.148 1.00 0.00 C ATOM 1476 CE1 TYR A 94 21.017 31.322 -1.356 1.00 0.00 C ATOM 1477 CE2 TYR A 94 21.583 31.598 1.006 1.00 0.00 C ATOM 1478 CZ TYR A 94 21.263 32.164 -0.250 1.00 0.00 C ATOM 1479 OH TYR A 94 21.186 33.516 -0.397 1.00 0.00 O ATOM 0 H TYR A 94 22.042 25.568 0.719 1.00 0.00 H new ATOM 0 HA TYR A 94 22.492 27.194 -1.558 1.00 0.00 H new ATOM 0 HB2 TYR A 94 20.520 27.420 -0.168 1.00 0.00 H new ATOM 0 HB3 TYR A 94 21.481 27.620 1.284 1.00 0.00 H new ATOM 0 HD1 TYR A 94 20.895 29.280 -2.057 1.00 0.00 H new ATOM 0 HD2 TYR A 94 21.901 29.769 2.106 1.00 0.00 H new ATOM 0 HE1 TYR A 94 20.779 31.752 -2.318 1.00 0.00 H new ATOM 0 HE2 TYR A 94 21.776 32.238 1.854 1.00 0.00 H new ATOM 0 HH TYR A 94 21.382 33.950 0.460 1.00 0.00 H new ATOM 1489 N LYS A 95 24.514 27.779 0.997 1.00 0.00 N ATOM 1490 CA LYS A 95 25.830 28.352 1.342 1.00 0.00 C ATOM 1491 C LYS A 95 26.982 27.731 0.522 1.00 0.00 C ATOM 1492 O LYS A 95 27.982 28.398 0.250 1.00 0.00 O ATOM 1493 CB LYS A 95 26.062 28.193 2.856 1.00 0.00 C ATOM 1494 CG LYS A 95 25.126 29.093 3.680 1.00 0.00 C ATOM 1495 CD LYS A 95 25.355 28.886 5.182 1.00 0.00 C ATOM 1496 CE LYS A 95 24.426 29.806 5.988 1.00 0.00 C ATOM 1497 NZ LYS A 95 24.681 29.709 7.452 1.00 0.00 N ATOM 0 H LYS A 95 24.084 27.252 1.757 1.00 0.00 H new ATOM 0 HA LYS A 95 25.824 29.411 1.083 1.00 0.00 H new ATOM 0 HB2 LYS A 95 25.906 27.152 3.139 1.00 0.00 H new ATOM 0 HB3 LYS A 95 27.098 28.436 3.091 1.00 0.00 H new ATOM 0 HG2 LYS A 95 25.298 30.138 3.422 1.00 0.00 H new ATOM 0 HG3 LYS A 95 24.088 28.870 3.432 1.00 0.00 H new ATOM 0 HD2 LYS A 95 25.168 27.845 5.446 1.00 0.00 H new ATOM 0 HD3 LYS A 95 26.395 29.097 5.432 1.00 0.00 H new ATOM 0 HE2 LYS A 95 24.565 30.837 5.663 1.00 0.00 H new ATOM 0 HE3 LYS A 95 23.388 29.544 5.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 24.034 30.345 7.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 24.524 28.731 7.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 25.664 29.983 7.652 1.00 0.00 H new ATOM 1511 N SER A 96 26.832 26.478 0.085 1.00 0.00 N ATOM 1512 CA SER A 96 27.812 25.750 -0.740 1.00 0.00 C ATOM 1513 C SER A 96 27.645 25.989 -2.256 1.00 0.00 C ATOM 1514 O SER A 96 28.544 25.663 -3.036 1.00 0.00 O ATOM 1515 CB SER A 96 27.711 24.244 -0.436 1.00 0.00 C ATOM 1516 OG SER A 96 27.858 23.970 0.952 1.00 0.00 O ATOM 0 H SER A 96 26.004 25.922 0.299 1.00 0.00 H new ATOM 0 HA SER A 96 28.797 26.136 -0.476 1.00 0.00 H new ATOM 0 HB2 SER A 96 26.747 23.869 -0.780 1.00 0.00 H new ATOM 0 HB3 SER A 96 28.479 23.709 -0.995 1.00 0.00 H new ATOM 0 HG SER A 96 27.104 24.358 1.444 1.00 0.00 H new ATOM 1522 N GLY A 97 26.503 26.549 -2.690 1.00 0.00 N ATOM 1523 CA GLY A 97 26.180 26.849 -4.100 1.00 0.00 C ATOM 1524 C GLY A 97 25.483 25.702 -4.843 1.00 0.00 C ATOM 1525 O GLY A 97 25.181 25.825 -6.027 1.00 0.00 O ATOM 0 H GLY A 97 25.754 26.815 -2.051 1.00 0.00 H new ATOM 0 HA2 GLY A 97 25.541 27.731 -4.135 1.00 0.00 H new ATOM 0 HA3 GLY A 97 27.101 27.102 -4.626 1.00 0.00 H new ATOM 1529 N GLU A 98 25.188 24.597 -4.158 1.00 0.00 N ATOM 1530 CA GLU A 98 24.561 23.401 -4.736 1.00 0.00 C ATOM 1531 C GLU A 98 23.066 23.631 -5.010 1.00 0.00 C ATOM 1532 O GLU A 98 22.546 23.172 -6.028 1.00 0.00 O ATOM 1533 CB GLU A 98 24.764 22.199 -3.801 1.00 0.00 C ATOM 1534 CG GLU A 98 26.241 21.934 -3.478 1.00 0.00 C ATOM 1535 CD GLU A 98 26.414 20.627 -2.692 1.00 0.00 C ATOM 1536 OE1 GLU A 98 26.375 20.661 -1.439 1.00 0.00 O ATOM 1537 OE2 GLU A 98 26.596 19.557 -3.324 1.00 0.00 O ATOM 0 H GLU A 98 25.382 24.503 -3.161 1.00 0.00 H new ATOM 0 HA GLU A 98 25.041 23.190 -5.692 1.00 0.00 H new ATOM 0 HB2 GLU A 98 24.220 22.372 -2.872 1.00 0.00 H new ATOM 0 HB3 GLU A 98 24.333 21.310 -4.262 1.00 0.00 H new ATOM 0 HG2 GLU A 98 26.814 21.883 -4.404 1.00 0.00 H new ATOM 0 HG3 GLU A 98 26.644 22.765 -2.899 1.00 0.00 H new ATOM 1544 N LEU A 99 22.378 24.413 -4.161 1.00 0.00 N ATOM 1545 CA LEU A 99 20.989 24.817 -4.439 1.00 0.00 C ATOM 1546 C LEU A 99 20.921 25.698 -5.690 1.00 0.00 C ATOM 1547 O LEU A 99 20.106 25.435 -6.569 1.00 0.00 O ATOM 1548 CB LEU A 99 20.387 25.506 -3.196 1.00 0.00 C ATOM 1549 CG LEU A 99 18.882 25.835 -3.323 1.00 0.00 C ATOM 1550 CD1 LEU A 99 18.004 24.578 -3.439 1.00 0.00 C ATOM 1551 CD2 LEU A 99 18.442 26.653 -2.105 1.00 0.00 C ATOM 0 H LEU A 99 22.756 24.775 -3.285 1.00 0.00 H new ATOM 0 HA LEU A 99 20.387 23.933 -4.649 1.00 0.00 H new ATOM 0 HB2 LEU A 99 20.535 24.862 -2.329 1.00 0.00 H new ATOM 0 HB3 LEU A 99 20.935 26.429 -3.004 1.00 0.00 H new ATOM 0 HG LEU A 99 18.750 26.404 -4.243 1.00 0.00 H new ATOM 0 HD11 LEU A 99 16.958 24.872 -3.525 1.00 0.00 H new ATOM 0 HD12 LEU A 99 18.296 24.011 -4.323 1.00 0.00 H new ATOM 0 HD13 LEU A 99 18.135 23.959 -2.551 1.00 0.00 H new ATOM 0 HD21 LEU A 99 17.381 26.888 -2.189 1.00 0.00 H new ATOM 0 HD22 LEU A 99 18.615 26.075 -1.197 1.00 0.00 H new ATOM 0 HD23 LEU A 99 19.016 27.578 -2.061 1.00 0.00 H new ATOM 1563 N GLN A 100 21.817 26.683 -5.813 1.00 0.00 N ATOM 1564 CA GLN A 100 21.931 27.539 -7.004 1.00 0.00 C ATOM 1565 C GLN A 100 22.146 26.694 -8.272 1.00 0.00 C ATOM 1566 O GLN A 100 21.418 26.876 -9.246 1.00 0.00 O ATOM 1567 CB GLN A 100 23.069 28.556 -6.778 1.00 0.00 C ATOM 1568 CG GLN A 100 23.210 29.581 -7.918 1.00 0.00 C ATOM 1569 CD GLN A 100 24.336 30.586 -7.653 1.00 0.00 C ATOM 1570 OE1 GLN A 100 25.379 30.578 -8.295 1.00 0.00 O ATOM 1571 NE2 GLN A 100 24.190 31.473 -6.685 1.00 0.00 N ATOM 0 H GLN A 100 22.491 26.913 -5.083 1.00 0.00 H new ATOM 0 HA GLN A 100 21.002 28.087 -7.157 1.00 0.00 H new ATOM 0 HB2 GLN A 100 22.891 29.087 -5.843 1.00 0.00 H new ATOM 0 HB3 GLN A 100 24.010 28.018 -6.665 1.00 0.00 H new ATOM 0 HG2 GLN A 100 23.405 29.057 -8.854 1.00 0.00 H new ATOM 0 HG3 GLN A 100 22.269 30.116 -8.042 1.00 0.00 H new ATOM 0 HE21 GLN A 100 23.329 31.495 -6.139 1.00 0.00 H new ATOM 0 HE22 GLN A 100 24.939 32.136 -6.483 1.00 0.00 H new ATOM 1580 N GLU A 101 23.071 25.727 -8.235 1.00 0.00 N ATOM 1581 CA GLU A 101 23.331 24.803 -9.342 1.00 0.00 C ATOM 1582 C GLU A 101 22.070 24.018 -9.749 1.00 0.00 C ATOM 1583 O GLU A 101 21.728 23.977 -10.930 1.00 0.00 O ATOM 1584 CB GLU A 101 24.454 23.839 -8.921 1.00 0.00 C ATOM 1585 CG GLU A 101 24.855 22.833 -10.009 1.00 0.00 C ATOM 1586 CD GLU A 101 25.730 21.726 -9.410 1.00 0.00 C ATOM 1587 OE1 GLU A 101 25.166 20.783 -8.803 1.00 0.00 O ATOM 1588 OE2 GLU A 101 26.975 21.785 -9.549 1.00 0.00 O ATOM 0 H GLU A 101 23.667 25.564 -7.424 1.00 0.00 H new ATOM 0 HA GLU A 101 23.635 25.380 -10.215 1.00 0.00 H new ATOM 0 HB2 GLU A 101 25.331 24.421 -8.638 1.00 0.00 H new ATOM 0 HB3 GLU A 101 24.135 23.291 -8.034 1.00 0.00 H new ATOM 0 HG2 GLU A 101 23.963 22.398 -10.459 1.00 0.00 H new ATOM 0 HG3 GLU A 101 25.397 23.344 -10.805 1.00 0.00 H new ATOM 1595 N GLN A 102 21.364 23.396 -8.795 1.00 0.00 N ATOM 1596 CA GLN A 102 20.198 22.566 -9.111 1.00 0.00 C ATOM 1597 C GLN A 102 18.940 23.387 -9.450 1.00 0.00 C ATOM 1598 O GLN A 102 18.162 22.976 -10.310 1.00 0.00 O ATOM 1599 CB GLN A 102 19.945 21.543 -7.993 1.00 0.00 C ATOM 1600 CG GLN A 102 21.114 20.549 -7.809 1.00 0.00 C ATOM 1601 CD GLN A 102 21.421 19.722 -9.063 1.00 0.00 C ATOM 1602 OE1 GLN A 102 20.545 19.116 -9.669 1.00 0.00 O ATOM 1603 NE2 GLN A 102 22.652 19.669 -9.530 1.00 0.00 N ATOM 0 H GLN A 102 21.581 23.453 -7.800 1.00 0.00 H new ATOM 0 HA GLN A 102 20.433 22.019 -10.024 1.00 0.00 H new ATOM 0 HB2 GLN A 102 19.774 22.072 -7.056 1.00 0.00 H new ATOM 0 HB3 GLN A 102 19.034 20.987 -8.216 1.00 0.00 H new ATOM 0 HG2 GLN A 102 22.008 21.102 -7.521 1.00 0.00 H new ATOM 0 HG3 GLN A 102 20.879 19.873 -6.987 1.00 0.00 H new ATOM 0 HE21 GLN A 102 23.402 20.163 -9.047 1.00 0.00 H new ATOM 0 HE22 GLN A 102 22.855 19.134 -10.374 1.00 0.00 H new ATOM 1612 N VAL A 103 18.750 24.561 -8.841 1.00 0.00 N ATOM 1613 CA VAL A 103 17.698 25.515 -9.240 1.00 0.00 C ATOM 1614 C VAL A 103 17.950 26.034 -10.665 1.00 0.00 C ATOM 1615 O VAL A 103 17.003 26.097 -11.448 1.00 0.00 O ATOM 1616 CB VAL A 103 17.570 26.677 -8.226 1.00 0.00 C ATOM 1617 CG1 VAL A 103 16.664 27.818 -8.717 1.00 0.00 C ATOM 1618 CG2 VAL A 103 16.986 26.152 -6.899 1.00 0.00 C ATOM 0 H VAL A 103 19.318 24.882 -8.057 1.00 0.00 H new ATOM 0 HA VAL A 103 16.745 24.985 -9.239 1.00 0.00 H new ATOM 0 HB VAL A 103 18.577 27.074 -8.096 1.00 0.00 H new ATOM 0 HG11 VAL A 103 16.619 28.599 -7.958 1.00 0.00 H new ATOM 0 HG12 VAL A 103 17.069 28.232 -9.640 1.00 0.00 H new ATOM 0 HG13 VAL A 103 15.661 27.433 -8.901 1.00 0.00 H new ATOM 0 HG21 VAL A 103 16.898 26.975 -6.189 1.00 0.00 H new ATOM 0 HG22 VAL A 103 16.001 25.722 -7.080 1.00 0.00 H new ATOM 0 HG23 VAL A 103 17.646 25.387 -6.488 1.00 0.00 H new ATOM 1628 N GLU A 104 19.201 26.329 -11.045 1.00 0.00 N ATOM 1629 CA GLU A 104 19.554 26.677 -12.423 1.00 0.00 C ATOM 1630 C GLU A 104 19.291 25.508 -13.387 1.00 0.00 C ATOM 1631 O GLU A 104 18.674 25.713 -14.433 1.00 0.00 O ATOM 1632 CB GLU A 104 21.015 27.152 -12.491 1.00 0.00 C ATOM 1633 CG GLU A 104 21.394 27.647 -13.893 1.00 0.00 C ATOM 1634 CD GLU A 104 22.813 28.231 -13.910 1.00 0.00 C ATOM 1635 OE1 GLU A 104 23.788 27.468 -14.111 1.00 0.00 O ATOM 1636 OE2 GLU A 104 22.964 29.464 -13.733 1.00 0.00 O ATOM 0 H GLU A 104 19.994 26.332 -10.404 1.00 0.00 H new ATOM 0 HA GLU A 104 18.913 27.498 -12.745 1.00 0.00 H new ATOM 0 HB2 GLU A 104 21.169 27.954 -11.769 1.00 0.00 H new ATOM 0 HB3 GLU A 104 21.676 26.334 -12.204 1.00 0.00 H new ATOM 0 HG2 GLU A 104 21.329 26.822 -14.603 1.00 0.00 H new ATOM 0 HG3 GLU A 104 20.682 28.405 -14.219 1.00 0.00 H new ATOM 1643 N LYS A 105 19.662 24.271 -13.023 1.00 0.00 N ATOM 1644 CA LYS A 105 19.357 23.069 -13.817 1.00 0.00 C ATOM 1645 C LYS A 105 17.840 22.942 -14.070 1.00 0.00 C ATOM 1646 O LYS A 105 17.416 22.716 -15.203 1.00 0.00 O ATOM 1647 CB LYS A 105 19.912 21.826 -13.089 1.00 0.00 C ATOM 1648 CG LYS A 105 19.749 20.528 -13.899 1.00 0.00 C ATOM 1649 CD LYS A 105 20.088 19.297 -13.045 1.00 0.00 C ATOM 1650 CE LYS A 105 19.943 18.015 -13.876 1.00 0.00 C ATOM 1651 NZ LYS A 105 20.144 16.791 -13.054 1.00 0.00 N ATOM 0 H LYS A 105 20.183 24.075 -12.168 1.00 0.00 H new ATOM 0 HA LYS A 105 19.837 23.151 -14.792 1.00 0.00 H new ATOM 0 HB2 LYS A 105 20.969 21.981 -12.872 1.00 0.00 H new ATOM 0 HB3 LYS A 105 19.403 21.716 -12.132 1.00 0.00 H new ATOM 0 HG2 LYS A 105 18.725 20.450 -14.265 1.00 0.00 H new ATOM 0 HG3 LYS A 105 20.399 20.558 -14.774 1.00 0.00 H new ATOM 0 HD2 LYS A 105 21.106 19.379 -12.665 1.00 0.00 H new ATOM 0 HD3 LYS A 105 19.427 19.254 -12.179 1.00 0.00 H new ATOM 0 HE2 LYS A 105 18.953 17.988 -14.330 1.00 0.00 H new ATOM 0 HE3 LYS A 105 20.667 18.027 -14.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 20.341 15.983 -13.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 20.947 16.934 -12.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 19.285 16.600 -12.501 1.00 0.00 H new ATOM 1665 N ALA A 106 17.014 23.148 -13.040 1.00 0.00 N ATOM 1666 CA ALA A 106 15.554 23.113 -13.142 1.00 0.00 C ATOM 1667 C ALA A 106 14.983 24.238 -14.029 1.00 0.00 C ATOM 1668 O ALA A 106 14.095 23.982 -14.840 1.00 0.00 O ATOM 1669 CB ALA A 106 15.002 23.164 -11.718 1.00 0.00 C ATOM 0 H ALA A 106 17.348 23.347 -12.097 1.00 0.00 H new ATOM 0 HA ALA A 106 15.244 22.194 -13.640 1.00 0.00 H new ATOM 0 HB1 ALA A 106 13.913 23.140 -11.749 1.00 0.00 H new ATOM 0 HB2 ALA A 106 15.368 22.306 -11.155 1.00 0.00 H new ATOM 0 HB3 ALA A 106 15.331 24.083 -11.233 1.00 0.00 H new ATOM 1675 N MET A 107 15.523 25.458 -13.929 1.00 0.00 N ATOM 1676 CA MET A 107 15.149 26.591 -14.792 1.00 0.00 C ATOM 1677 C MET A 107 15.520 26.351 -16.266 1.00 0.00 C ATOM 1678 O MET A 107 14.756 26.737 -17.155 1.00 0.00 O ATOM 1679 CB MET A 107 15.796 27.883 -14.267 1.00 0.00 C ATOM 1680 CG MET A 107 15.115 28.382 -12.987 1.00 0.00 C ATOM 1681 SD MET A 107 15.901 29.843 -12.264 1.00 0.00 S ATOM 1682 CE MET A 107 14.706 30.184 -10.943 1.00 0.00 C ATOM 0 H MET A 107 16.239 25.692 -13.241 1.00 0.00 H new ATOM 0 HA MET A 107 14.064 26.692 -14.756 1.00 0.00 H new ATOM 0 HB2 MET A 107 16.853 27.706 -14.071 1.00 0.00 H new ATOM 0 HB3 MET A 107 15.739 28.656 -15.034 1.00 0.00 H new ATOM 0 HG2 MET A 107 14.073 28.613 -13.207 1.00 0.00 H new ATOM 0 HG3 MET A 107 15.114 27.579 -12.250 1.00 0.00 H new ATOM 0 HE1 MET A 107 15.025 31.062 -10.381 1.00 0.00 H new ATOM 0 HE2 MET A 107 13.725 30.370 -11.379 1.00 0.00 H new ATOM 0 HE3 MET A 107 14.649 29.326 -10.274 1.00 0.00 H new ATOM 1692 N CYS A 108 16.642 25.673 -16.535 1.00 0.00 N ATOM 1693 CA CYS A 108 17.014 25.210 -17.879 1.00 0.00 C ATOM 1694 C CYS A 108 16.100 24.073 -18.395 1.00 0.00 C ATOM 1695 O CYS A 108 15.799 24.030 -19.593 1.00 0.00 O ATOM 1696 CB CYS A 108 18.488 24.764 -17.873 1.00 0.00 C ATOM 1697 SG CYS A 108 19.582 26.147 -17.430 1.00 0.00 S ATOM 0 H CYS A 108 17.325 25.427 -15.819 1.00 0.00 H new ATOM 0 HA CYS A 108 16.881 26.045 -18.567 1.00 0.00 H new ATOM 0 HB2 CYS A 108 18.622 23.947 -17.164 1.00 0.00 H new ATOM 0 HB3 CYS A 108 18.760 24.380 -18.856 1.00 0.00 H new ATOM 0 HG CYS A 108 19.523 26.353 -16.148 1.00 0.00 H new ATOM 1703 N SER A 109 15.665 23.179 -17.493 1.00 0.00 N ATOM 1704 CA SER A 109 14.798 22.001 -17.725 1.00 0.00 C ATOM 1705 C SER A 109 15.417 21.010 -18.730 1.00 0.00 C ATOM 1706 O SER A 109 16.472 20.422 -18.395 1.00 0.00 O ATOM 1707 CB SER A 109 13.379 22.425 -18.129 1.00 0.00 C ATOM 1708 OG SER A 109 12.752 23.098 -17.052 1.00 0.00 O ATOM 1709 OXT SER A 109 14.855 20.785 -19.830 1.00 0.00 O ATOM 0 H SER A 109 15.926 23.262 -16.510 1.00 0.00 H new ATOM 0 HA SER A 109 14.720 21.466 -16.778 1.00 0.00 H new ATOM 0 HB2 SER A 109 13.419 23.076 -19.002 1.00 0.00 H new ATOM 0 HB3 SER A 109 12.795 21.549 -18.411 1.00 0.00 H new ATOM 0 HG SER A 109 13.421 23.320 -16.371 1.00 0.00 H new