USER MOD reduce.3.24.130724 H: found=0, std=0, add=466, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 466 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 Single : A 7 ASN : amide:sc= -0.0329 X(o=-0.033,f=-0.12) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= 0.818 K(o=0.82,f=-1.6!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot -128:sc= 0.519 USER MOD Single : A 28 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0473) USER MOD Single : A 32 MET CE :methyl -121:sc= -0.493 (180deg=-2.07) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -33:sc= 0.717 USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 48 CYS SG : rot -20:sc= -0.647 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= -0.0158 X(o=-0.016,f=0) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 60 ASN : amide:sc= -0.0746 X(o=-0.075,f=-0.49) USER MOD Single : A 63 LYS NZ :NH3+ -172:sc=-0.00539 (180deg=-0.139) USER MOD ----------------------------------------------------------------- ATOM 80 N LEU A 6 9.240 1.914 -20.167 1.00 25.00 N ATOM 81 CA LEU A 6 9.771 2.020 -21.530 1.00 25.00 C ATOM 82 C LEU A 6 8.742 2.389 -22.599 1.00 25.00 C ATOM 83 O LEU A 6 9.122 2.763 -23.704 1.00 25.00 O ATOM 84 CB LEU A 6 10.427 0.694 -21.917 1.00 25.00 C ATOM 85 CG LEU A 6 11.551 0.200 -20.987 1.00 25.00 C ATOM 86 CD1 LEU A 6 12.027 -1.150 -21.488 1.00 25.00 C ATOM 87 CD2 LEU A 6 12.726 1.171 -20.916 1.00 25.00 C ATOM 0 HA LEU A 6 10.485 2.843 -21.503 1.00 25.00 H new ATOM 0 HB2 LEU A 6 9.653 -0.073 -21.958 1.00 25.00 H new ATOM 0 HB3 LEU A 6 10.833 0.792 -22.924 1.00 25.00 H new ATOM 0 HG LEU A 6 11.148 0.124 -19.977 1.00 25.00 H new ATOM 0 HD11 LEU A 6 12.824 -1.517 -20.842 1.00 25.00 H new ATOM 0 HD12 LEU A 6 11.196 -1.856 -21.477 1.00 25.00 H new ATOM 0 HD13 LEU A 6 12.403 -1.048 -22.506 1.00 25.00 H new ATOM 0 HD21 LEU A 6 13.488 0.772 -20.247 1.00 25.00 H new ATOM 0 HD22 LEU A 6 13.150 1.302 -21.911 1.00 25.00 H new ATOM 0 HD23 LEU A 6 12.380 2.134 -20.539 1.00 25.00 H new ATOM 99 N ASN A 7 7.461 2.250 -22.277 1.00 25.00 N ATOM 100 CA ASN A 7 6.356 2.554 -23.210 1.00 25.00 C ATOM 101 C ASN A 7 6.525 1.890 -24.585 1.00 25.00 C ATOM 102 O ASN A 7 6.298 2.502 -25.623 1.00 25.00 O ATOM 103 CB ASN A 7 6.193 4.071 -23.366 1.00 25.00 C ATOM 104 CG ASN A 7 4.820 4.460 -23.866 1.00 25.00 C ATOM 105 OD1 ASN A 7 3.809 4.072 -23.291 1.00 25.00 O ATOM 106 ND2 ASN A 7 4.777 5.231 -24.915 1.00 25.00 N ATOM 0 H ASN A 7 7.148 1.924 -21.363 1.00 25.00 H new ATOM 0 HA ASN A 7 5.452 2.132 -22.771 1.00 25.00 H new ATOM 0 HB2 ASN A 7 6.376 4.553 -22.406 1.00 25.00 H new ATOM 0 HB3 ASN A 7 6.947 4.444 -24.059 1.00 25.00 H new ATOM 0 HD21 ASN A 7 3.878 5.535 -25.288 1.00 25.00 H new ATOM 0 HD22 ASN A 7 5.643 5.531 -25.363 1.00 25.00 H new ATOM 113 N VAL A 8 6.945 0.635 -24.581 1.00 25.00 N ATOM 114 CA VAL A 8 7.191 -0.104 -25.818 1.00 25.00 C ATOM 115 C VAL A 8 6.346 -1.364 -25.725 1.00 25.00 C ATOM 116 O VAL A 8 5.951 -1.752 -24.641 1.00 25.00 O ATOM 117 CB VAL A 8 8.724 -0.384 -25.990 1.00 25.00 C ATOM 118 CG1 VAL A 8 9.233 -1.414 -24.971 1.00 25.00 C ATOM 119 CG2 VAL A 8 9.050 -0.843 -27.424 1.00 25.00 C ATOM 0 H VAL A 8 7.125 0.100 -23.731 1.00 25.00 H new ATOM 0 HA VAL A 8 6.908 0.457 -26.709 1.00 25.00 H new ATOM 0 HB VAL A 8 9.242 0.557 -25.802 1.00 25.00 H new ATOM 0 HG11 VAL A 8 10.299 -1.580 -25.123 1.00 25.00 H new ATOM 0 HG12 VAL A 8 9.065 -1.040 -23.961 1.00 25.00 H new ATOM 0 HG13 VAL A 8 8.697 -2.353 -25.104 1.00 25.00 H new ATOM 0 HG21 VAL A 8 10.120 -1.029 -27.512 1.00 25.00 H new ATOM 0 HG22 VAL A 8 8.503 -1.759 -27.646 1.00 25.00 H new ATOM 0 HG23 VAL A 8 8.758 -0.066 -28.130 1.00 25.00 H new ATOM 129 N LEU A 9 6.022 -1.983 -26.849 1.00 25.00 N ATOM 130 CA LEU A 9 5.153 -3.156 -26.852 1.00 25.00 C ATOM 131 C LEU A 9 5.663 -4.205 -27.818 1.00 25.00 C ATOM 132 O LEU A 9 6.508 -3.929 -28.682 1.00 25.00 O ATOM 133 CB LEU A 9 3.704 -2.764 -27.186 1.00 25.00 C ATOM 134 CG LEU A 9 3.489 -1.879 -28.421 1.00 25.00 C ATOM 135 CD1 LEU A 9 2.247 -2.321 -29.183 1.00 25.00 C ATOM 136 CD2 LEU A 9 3.338 -0.415 -27.986 1.00 25.00 C ATOM 0 H LEU A 9 6.346 -1.695 -27.772 1.00 25.00 H new ATOM 0 HA LEU A 9 5.165 -3.586 -25.850 1.00 25.00 H new ATOM 0 HB2 LEU A 9 3.128 -3.679 -27.321 1.00 25.00 H new ATOM 0 HB3 LEU A 9 3.285 -2.248 -26.322 1.00 25.00 H new ATOM 0 HG LEU A 9 4.354 -1.976 -29.078 1.00 25.00 H new ATOM 0 HD11 LEU A 9 2.109 -1.683 -30.056 1.00 25.00 H new ATOM 0 HD12 LEU A 9 2.367 -3.355 -29.505 1.00 25.00 H new ATOM 0 HD13 LEU A 9 1.375 -2.242 -28.534 1.00 25.00 H new ATOM 0 HD21 LEU A 9 3.185 0.212 -28.865 1.00 25.00 H new ATOM 0 HD22 LEU A 9 2.481 -0.320 -27.319 1.00 25.00 H new ATOM 0 HD23 LEU A 9 4.240 -0.095 -27.465 1.00 25.00 H new ATOM 148 N ALA A 10 5.188 -5.425 -27.627 1.00 25.00 N ATOM 149 CA ALA A 10 5.653 -6.566 -28.386 1.00 25.00 C ATOM 150 C ALA A 10 4.501 -7.516 -28.700 1.00 25.00 C ATOM 151 O ALA A 10 3.453 -7.475 -28.060 1.00 25.00 O ATOM 152 CB ALA A 10 6.730 -7.300 -27.580 1.00 25.00 C ATOM 0 H ALA A 10 4.468 -5.649 -26.940 1.00 25.00 H new ATOM 0 HA ALA A 10 6.070 -6.216 -29.330 1.00 25.00 H new ATOM 0 HB1 ALA A 10 7.085 -8.161 -28.146 1.00 25.00 H new ATOM 0 HB2 ALA A 10 7.563 -6.625 -27.387 1.00 25.00 H new ATOM 0 HB3 ALA A 10 6.309 -7.637 -26.633 1.00 25.00 H new ATOM 158 N LYS A 11 4.739 -8.394 -29.665 1.00 25.00 N ATOM 159 CA LYS A 11 3.789 -9.432 -30.050 1.00 25.00 C ATOM 160 C LYS A 11 4.368 -10.771 -29.642 1.00 25.00 C ATOM 161 O LYS A 11 5.544 -11.035 -29.900 1.00 25.00 O ATOM 162 CB LYS A 11 3.570 -9.395 -31.566 1.00 25.00 C ATOM 163 CG LYS A 11 2.588 -10.444 -32.071 1.00 25.00 C ATOM 164 CD LYS A 11 2.209 -10.191 -33.521 1.00 25.00 C ATOM 165 CE LYS A 11 1.101 -11.141 -33.947 1.00 25.00 C ATOM 166 NZ LYS A 11 0.631 -10.893 -35.350 1.00 25.00 N ATOM 0 H LYS A 11 5.603 -8.407 -30.207 1.00 25.00 H new ATOM 0 HA LYS A 11 2.829 -9.272 -29.558 1.00 25.00 H new ATOM 0 HB2 LYS A 11 3.208 -8.406 -31.847 1.00 25.00 H new ATOM 0 HB3 LYS A 11 4.528 -9.537 -32.066 1.00 25.00 H new ATOM 0 HG2 LYS A 11 3.031 -11.436 -31.976 1.00 25.00 H new ATOM 0 HG3 LYS A 11 1.691 -10.434 -31.451 1.00 25.00 H new ATOM 0 HD2 LYS A 11 1.881 -9.159 -33.644 1.00 25.00 H new ATOM 0 HD3 LYS A 11 3.081 -10.327 -34.161 1.00 25.00 H new ATOM 0 HE2 LYS A 11 1.457 -12.168 -33.864 1.00 25.00 H new ATOM 0 HE3 LYS A 11 0.258 -11.039 -33.263 1.00 25.00 H new ATOM 0 HZ1 LYS A 11 -0.124 -11.568 -35.588 1.00 25.00 H new ATOM 0 HZ2 LYS A 11 0.265 -9.923 -35.427 1.00 25.00 H new ATOM 0 HZ3 LYS A 11 1.426 -11.016 -36.009 1.00 25.00 H new ATOM 180 N ALA A 12 3.566 -11.611 -29.012 1.00 25.00 N ATOM 181 CA ALA A 12 4.025 -12.930 -28.602 1.00 25.00 C ATOM 182 C ALA A 12 4.142 -13.832 -29.823 1.00 25.00 C ATOM 183 O ALA A 12 3.241 -13.893 -30.664 1.00 25.00 O ATOM 184 CB ALA A 12 3.067 -13.525 -27.587 1.00 25.00 C ATOM 0 H ALA A 12 2.596 -11.406 -28.773 1.00 25.00 H new ATOM 0 HA ALA A 12 5.006 -12.842 -28.135 1.00 25.00 H new ATOM 0 HB1 ALA A 12 3.421 -14.512 -27.288 1.00 25.00 H new ATOM 0 HB2 ALA A 12 3.015 -12.877 -26.712 1.00 25.00 H new ATOM 0 HB3 ALA A 12 2.076 -13.614 -28.031 1.00 25.00 H new ATOM 190 N LEU A 13 5.256 -14.535 -29.910 1.00 25.00 N ATOM 191 CA LEU A 13 5.511 -15.458 -31.008 1.00 25.00 C ATOM 192 C LEU A 13 5.070 -16.860 -30.616 1.00 25.00 C ATOM 193 O LEU A 13 4.738 -17.678 -31.465 1.00 25.00 O ATOM 194 CB LEU A 13 7.009 -15.477 -31.332 1.00 25.00 C ATOM 195 CG LEU A 13 7.630 -14.146 -31.784 1.00 25.00 C ATOM 196 CD1 LEU A 13 9.145 -14.317 -31.899 1.00 25.00 C ATOM 197 CD2 LEU A 13 7.043 -13.693 -33.130 1.00 25.00 C ATOM 0 H LEU A 13 6.010 -14.485 -29.225 1.00 25.00 H new ATOM 0 HA LEU A 13 4.950 -15.129 -31.883 1.00 25.00 H new ATOM 0 HB2 LEU A 13 7.545 -15.820 -30.447 1.00 25.00 H new ATOM 0 HB3 LEU A 13 7.179 -16.216 -32.115 1.00 25.00 H new ATOM 0 HG LEU A 13 7.400 -13.378 -31.046 1.00 25.00 H new ATOM 0 HD11 LEU A 13 9.594 -13.377 -32.219 1.00 25.00 H new ATOM 0 HD12 LEU A 13 9.554 -14.602 -30.930 1.00 25.00 H new ATOM 0 HD13 LEU A 13 9.369 -15.094 -32.630 1.00 25.00 H new ATOM 0 HD21 LEU A 13 7.500 -12.749 -33.427 1.00 25.00 H new ATOM 0 HD22 LEU A 13 7.247 -14.449 -33.889 1.00 25.00 H new ATOM 0 HD23 LEU A 13 5.966 -13.560 -33.031 1.00 25.00 H new ATOM 209 N TYR A 14 5.067 -17.113 -29.316 1.00 25.00 N ATOM 210 CA TYR A 14 4.729 -18.424 -28.776 1.00 25.00 C ATOM 211 C TYR A 14 3.686 -18.236 -27.684 1.00 25.00 C ATOM 212 O TYR A 14 3.524 -17.133 -27.174 1.00 25.00 O ATOM 213 CB TYR A 14 5.984 -19.090 -28.212 1.00 25.00 C ATOM 214 CG TYR A 14 7.102 -19.170 -29.237 1.00 25.00 C ATOM 215 CD1 TYR A 14 8.142 -18.221 -29.242 1.00 25.00 C ATOM 216 CD2 TYR A 14 7.115 -20.178 -30.219 1.00 25.00 C ATOM 217 CE1 TYR A 14 9.181 -18.274 -30.207 1.00 25.00 C ATOM 218 CE2 TYR A 14 8.152 -20.234 -31.192 1.00 25.00 C ATOM 219 CZ TYR A 14 9.174 -19.281 -31.173 1.00 25.00 C ATOM 220 OH TYR A 14 10.169 -19.329 -32.113 1.00 25.00 O ATOM 0 H TYR A 14 5.298 -16.418 -28.606 1.00 25.00 H new ATOM 0 HA TYR A 14 4.327 -19.066 -29.559 1.00 25.00 H new ATOM 0 HB2 TYR A 14 6.330 -18.531 -27.343 1.00 25.00 H new ATOM 0 HB3 TYR A 14 5.737 -20.094 -27.868 1.00 25.00 H new ATOM 0 HD1 TYR A 14 8.149 -17.438 -28.498 1.00 25.00 H new ATOM 0 HD2 TYR A 14 6.329 -20.918 -30.234 1.00 25.00 H new ATOM 0 HE1 TYR A 14 9.973 -17.539 -30.194 1.00 25.00 H new ATOM 0 HE2 TYR A 14 8.149 -21.010 -31.943 1.00 25.00 H new ATOM 0 HH TYR A 14 10.018 -20.091 -32.711 1.00 25.00 H new ATOM 230 N ASP A 15 2.973 -19.298 -27.351 1.00 25.00 N ATOM 231 CA ASP A 15 1.969 -19.268 -26.291 1.00 25.00 C ATOM 232 C ASP A 15 2.572 -19.821 -25.012 1.00 25.00 C ATOM 233 O ASP A 15 3.597 -20.502 -25.044 1.00 25.00 O ATOM 234 CB ASP A 15 0.716 -20.069 -26.691 1.00 25.00 C ATOM 235 CG ASP A 15 1.038 -21.460 -27.205 1.00 25.00 C ATOM 236 OD1 ASP A 15 1.613 -21.562 -28.317 1.00 25.00 O ATOM 237 OD2 ASP A 15 0.577 -22.433 -26.592 1.00 25.00 O ATOM 0 H ASP A 15 3.070 -20.206 -27.805 1.00 25.00 H new ATOM 0 HA ASP A 15 1.660 -18.236 -26.128 1.00 25.00 H new ATOM 0 HB2 ASP A 15 0.054 -20.151 -25.829 1.00 25.00 H new ATOM 0 HB3 ASP A 15 0.172 -19.521 -27.460 1.00 25.00 H new ATOM 242 N ASN A 16 1.969 -19.465 -23.886 1.00 25.00 N ATOM 243 CA ASN A 16 2.473 -19.860 -22.576 1.00 25.00 C ATOM 244 C ASN A 16 1.381 -19.853 -21.514 1.00 25.00 C ATOM 245 O ASN A 16 0.622 -18.890 -21.400 1.00 25.00 O ATOM 246 CB ASN A 16 3.551 -18.878 -22.135 1.00 25.00 C ATOM 247 CG ASN A 16 4.347 -19.389 -20.975 1.00 25.00 C ATOM 248 OD1 ASN A 16 5.067 -20.367 -21.103 1.00 25.00 O ATOM 249 ND2 ASN A 16 4.244 -18.733 -19.861 1.00 25.00 N ATOM 0 H ASN A 16 1.122 -18.898 -23.853 1.00 25.00 H new ATOM 0 HA ASN A 16 2.864 -20.873 -22.673 1.00 25.00 H new ATOM 0 HB2 ASN A 16 4.220 -18.677 -22.972 1.00 25.00 H new ATOM 0 HB3 ASN A 16 3.086 -17.930 -21.864 1.00 25.00 H new ATOM 0 HD21 ASN A 16 4.778 -19.029 -19.044 1.00 25.00 H new ATOM 0 HD22 ASN A 16 3.629 -17.921 -19.802 1.00 25.00 H new ATOM 256 N VAL A 17 1.352 -20.889 -20.692 1.00 25.00 N ATOM 257 CA VAL A 17 0.450 -20.941 -19.546 1.00 25.00 C ATOM 258 C VAL A 17 1.349 -20.691 -18.349 1.00 25.00 C ATOM 259 O VAL A 17 2.377 -21.335 -18.223 1.00 25.00 O ATOM 260 CB VAL A 17 -0.245 -22.328 -19.422 1.00 25.00 C ATOM 261 CG1 VAL A 17 -1.144 -22.381 -18.176 1.00 25.00 C ATOM 262 CG2 VAL A 17 -1.088 -22.614 -20.677 1.00 25.00 C ATOM 0 H VAL A 17 1.946 -21.712 -20.796 1.00 25.00 H new ATOM 0 HA VAL A 17 -0.356 -20.212 -19.634 1.00 25.00 H new ATOM 0 HB VAL A 17 0.531 -23.087 -19.326 1.00 25.00 H new ATOM 0 HG11 VAL A 17 -1.619 -23.360 -18.111 1.00 25.00 H new ATOM 0 HG12 VAL A 17 -0.541 -22.211 -17.284 1.00 25.00 H new ATOM 0 HG13 VAL A 17 -1.911 -21.610 -18.248 1.00 25.00 H new ATOM 0 HG21 VAL A 17 -1.569 -23.587 -20.578 1.00 25.00 H new ATOM 0 HG22 VAL A 17 -1.850 -21.842 -20.787 1.00 25.00 H new ATOM 0 HG23 VAL A 17 -0.443 -22.616 -21.556 1.00 25.00 H new ATOM 272 N ALA A 18 0.996 -19.723 -17.517 1.00 25.00 N ATOM 273 CA ALA A 18 1.812 -19.384 -16.364 1.00 25.00 C ATOM 274 C ALA A 18 1.842 -20.554 -15.377 1.00 25.00 C ATOM 275 O ALA A 18 0.793 -21.043 -14.955 1.00 25.00 O ATOM 276 CB ALA A 18 1.254 -18.135 -15.688 1.00 25.00 C ATOM 0 H ALA A 18 0.152 -19.160 -17.619 1.00 25.00 H new ATOM 0 HA ALA A 18 2.831 -19.183 -16.694 1.00 25.00 H new ATOM 0 HB1 ALA A 18 1.869 -17.884 -14.824 1.00 25.00 H new ATOM 0 HB2 ALA A 18 1.263 -17.304 -16.394 1.00 25.00 H new ATOM 0 HB3 ALA A 18 0.231 -18.323 -15.363 1.00 25.00 H new ATOM 282 N GLU A 19 3.041 -20.971 -15.001 1.00 25.00 N ATOM 283 CA GLU A 19 3.227 -22.055 -14.032 1.00 25.00 C ATOM 284 C GLU A 19 3.536 -21.444 -12.673 1.00 25.00 C ATOM 285 O GLU A 19 3.585 -22.123 -11.651 1.00 25.00 O ATOM 286 CB GLU A 19 4.376 -22.969 -14.468 1.00 25.00 C ATOM 287 CG GLU A 19 4.226 -23.459 -15.899 1.00 25.00 C ATOM 288 CD GLU A 19 5.126 -24.650 -16.213 1.00 25.00 C ATOM 289 OE1 GLU A 19 4.957 -25.715 -15.572 1.00 25.00 O ATOM 290 OE2 GLU A 19 5.980 -24.538 -17.124 1.00 25.00 O ATOM 0 H GLU A 19 3.912 -20.574 -15.353 1.00 25.00 H new ATOM 0 HA GLU A 19 2.318 -22.654 -13.974 1.00 25.00 H new ATOM 0 HB2 GLU A 19 5.319 -22.432 -14.369 1.00 25.00 H new ATOM 0 HB3 GLU A 19 4.426 -23.827 -13.798 1.00 25.00 H new ATOM 0 HG2 GLU A 19 3.187 -23.738 -16.076 1.00 25.00 H new ATOM 0 HG3 GLU A 19 4.458 -22.643 -16.584 1.00 25.00 H new ATOM 297 N SER A 20 3.746 -20.138 -12.687 1.00 25.00 N ATOM 298 CA SER A 20 4.088 -19.377 -11.494 1.00 25.00 C ATOM 299 C SER A 20 3.134 -18.189 -11.382 1.00 25.00 C ATOM 300 O SER A 20 2.618 -17.717 -12.390 1.00 25.00 O ATOM 301 CB SER A 20 5.534 -18.905 -11.619 1.00 25.00 C ATOM 302 OG SER A 20 6.416 -20.005 -11.504 1.00 25.00 O ATOM 0 H SER A 20 3.684 -19.571 -13.532 1.00 25.00 H new ATOM 0 HA SER A 20 3.993 -19.988 -10.597 1.00 25.00 H new ATOM 0 HB2 SER A 20 5.681 -18.410 -12.579 1.00 25.00 H new ATOM 0 HB3 SER A 20 5.753 -18.170 -10.844 1.00 25.00 H new ATOM 0 HG SER A 20 7.341 -19.693 -11.587 1.00 25.00 H new ATOM 308 N PRO A 21 2.869 -17.696 -10.155 1.00 25.00 N ATOM 309 CA PRO A 21 1.876 -16.615 -10.069 1.00 25.00 C ATOM 310 C PRO A 21 2.353 -15.274 -10.628 1.00 25.00 C ATOM 311 O PRO A 21 1.542 -14.453 -11.047 1.00 25.00 O ATOM 312 CB PRO A 21 1.613 -16.515 -8.565 1.00 25.00 C ATOM 313 CG PRO A 21 2.895 -16.946 -7.942 1.00 25.00 C ATOM 314 CD PRO A 21 3.364 -18.081 -8.819 1.00 25.00 C ATOM 0 HA PRO A 21 0.996 -16.839 -10.672 1.00 25.00 H new ATOM 0 HB2 PRO A 21 1.350 -15.498 -8.273 1.00 25.00 H new ATOM 0 HB3 PRO A 21 0.787 -17.158 -8.261 1.00 25.00 H new ATOM 0 HG2 PRO A 21 3.621 -16.133 -7.919 1.00 25.00 H new ATOM 0 HG3 PRO A 21 2.749 -17.272 -6.912 1.00 25.00 H new ATOM 0 HD2 PRO A 21 4.449 -18.180 -8.804 1.00 25.00 H new ATOM 0 HD3 PRO A 21 2.952 -19.037 -8.496 1.00 25.00 H new ATOM 322 N ASP A 22 3.663 -15.070 -10.625 1.00 25.00 N ATOM 323 CA ASP A 22 4.259 -13.819 -11.097 1.00 25.00 C ATOM 324 C ASP A 22 4.429 -13.839 -12.610 1.00 25.00 C ATOM 325 O ASP A 22 4.763 -12.832 -13.225 1.00 25.00 O ATOM 326 CB ASP A 22 5.628 -13.641 -10.442 1.00 25.00 C ATOM 327 CG ASP A 22 5.534 -13.546 -8.933 1.00 25.00 C ATOM 328 OD1 ASP A 22 6.094 -14.433 -8.253 1.00 25.00 O ATOM 329 OD2 ASP A 22 4.852 -12.632 -8.427 1.00 25.00 O ATOM 0 H ASP A 22 4.341 -15.758 -10.299 1.00 25.00 H new ATOM 0 HA ASP A 22 3.599 -12.993 -10.830 1.00 25.00 H new ATOM 0 HB2 ASP A 22 6.270 -14.480 -10.712 1.00 25.00 H new ATOM 0 HB3 ASP A 22 6.101 -12.740 -10.832 1.00 25.00 H new ATOM 334 N GLU A 23 4.221 -15.002 -13.204 1.00 25.00 N ATOM 335 CA GLU A 23 4.362 -15.175 -14.639 1.00 25.00 C ATOM 336 C GLU A 23 3.042 -14.827 -15.327 1.00 25.00 C ATOM 337 O GLU A 23 1.958 -15.013 -14.762 1.00 25.00 O ATOM 338 CB GLU A 23 4.755 -16.624 -14.928 1.00 25.00 C ATOM 339 CG GLU A 23 5.241 -16.869 -16.342 1.00 25.00 C ATOM 340 CD GLU A 23 5.545 -18.335 -16.603 1.00 25.00 C ATOM 341 OE1 GLU A 23 5.160 -19.195 -15.773 1.00 25.00 O ATOM 342 OE2 GLU A 23 6.123 -18.632 -17.669 1.00 25.00 O ATOM 0 H GLU A 23 3.950 -15.850 -12.706 1.00 25.00 H new ATOM 0 HA GLU A 23 5.137 -14.513 -15.024 1.00 25.00 H new ATOM 0 HB2 GLU A 23 5.538 -16.922 -14.231 1.00 25.00 H new ATOM 0 HB3 GLU A 23 3.896 -17.266 -14.735 1.00 25.00 H new ATOM 0 HG2 GLU A 23 4.485 -16.526 -17.048 1.00 25.00 H new ATOM 0 HG3 GLU A 23 6.138 -16.277 -16.523 1.00 25.00 H new ATOM 349 N LEU A 24 3.121 -14.313 -16.542 1.00 25.00 N ATOM 350 CA LEU A 24 1.921 -13.964 -17.290 1.00 25.00 C ATOM 351 C LEU A 24 1.513 -15.094 -18.234 1.00 25.00 C ATOM 352 O LEU A 24 2.335 -15.623 -18.974 1.00 25.00 O ATOM 353 CB LEU A 24 2.175 -12.684 -18.090 1.00 25.00 C ATOM 354 CG LEU A 24 1.196 -11.535 -17.814 1.00 25.00 C ATOM 355 CD1 LEU A 24 1.686 -10.274 -18.510 1.00 25.00 C ATOM 356 CD2 LEU A 24 -0.220 -11.882 -18.294 1.00 25.00 C ATOM 0 H LEU A 24 3.997 -14.128 -17.031 1.00 25.00 H new ATOM 0 HA LEU A 24 1.107 -13.803 -16.584 1.00 25.00 H new ATOM 0 HB2 LEU A 24 3.186 -12.337 -17.878 1.00 25.00 H new ATOM 0 HB3 LEU A 24 2.137 -12.925 -19.152 1.00 25.00 H new ATOM 0 HG LEU A 24 1.154 -11.370 -16.737 1.00 25.00 H new ATOM 0 HD11 LEU A 24 0.991 -9.457 -18.315 1.00 25.00 H new ATOM 0 HD12 LEU A 24 2.673 -10.009 -18.131 1.00 25.00 H new ATOM 0 HD13 LEU A 24 1.745 -10.451 -19.584 1.00 25.00 H new ATOM 0 HD21 LEU A 24 -0.890 -11.048 -18.084 1.00 25.00 H new ATOM 0 HD22 LEU A 24 -0.204 -12.073 -19.367 1.00 25.00 H new ATOM 0 HD23 LEU A 24 -0.573 -12.771 -17.772 1.00 25.00 H new ATOM 368 N SER A 25 0.228 -15.418 -18.255 1.00 25.00 N ATOM 369 CA SER A 25 -0.307 -16.348 -19.251 1.00 25.00 C ATOM 370 C SER A 25 -0.619 -15.528 -20.497 1.00 25.00 C ATOM 371 O SER A 25 -1.352 -14.540 -20.422 1.00 25.00 O ATOM 372 CB SER A 25 -1.589 -17.017 -18.756 1.00 25.00 C ATOM 373 OG SER A 25 -1.338 -17.847 -17.636 1.00 25.00 O ATOM 0 H SER A 25 -0.464 -15.055 -17.599 1.00 25.00 H new ATOM 0 HA SER A 25 0.419 -17.136 -19.451 1.00 25.00 H new ATOM 0 HB2 SER A 25 -2.320 -16.254 -18.489 1.00 25.00 H new ATOM 0 HB3 SER A 25 -2.026 -17.610 -19.560 1.00 25.00 H new ATOM 0 HG SER A 25 -1.711 -18.738 -17.799 1.00 25.00 H new ATOM 379 N PHE A 26 -0.064 -15.923 -21.629 1.00 25.00 N ATOM 380 CA PHE A 26 -0.258 -15.200 -22.886 1.00 25.00 C ATOM 381 C PHE A 26 -0.287 -16.208 -24.016 1.00 25.00 C ATOM 382 O PHE A 26 0.045 -17.368 -23.818 1.00 25.00 O ATOM 383 CB PHE A 26 0.866 -14.181 -23.108 1.00 25.00 C ATOM 384 CG PHE A 26 2.250 -14.778 -23.102 1.00 25.00 C ATOM 385 CD1 PHE A 26 2.828 -15.293 -24.281 1.00 25.00 C ATOM 386 CD2 PHE A 26 2.996 -14.808 -21.914 1.00 25.00 C ATOM 387 CE1 PHE A 26 4.141 -15.832 -24.267 1.00 25.00 C ATOM 388 CE2 PHE A 26 4.297 -15.356 -21.887 1.00 25.00 C ATOM 389 CZ PHE A 26 4.871 -15.865 -23.068 1.00 25.00 C ATOM 0 H PHE A 26 0.531 -16.748 -21.709 1.00 25.00 H new ATOM 0 HA PHE A 26 -1.198 -14.650 -22.851 1.00 25.00 H new ATOM 0 HB2 PHE A 26 0.703 -13.679 -24.062 1.00 25.00 H new ATOM 0 HB3 PHE A 26 0.808 -13.418 -22.332 1.00 25.00 H new ATOM 0 HD1 PHE A 26 2.266 -15.277 -25.203 1.00 25.00 H new ATOM 0 HD2 PHE A 26 2.569 -14.406 -21.007 1.00 25.00 H new ATOM 0 HE1 PHE A 26 4.578 -16.216 -25.177 1.00 25.00 H new ATOM 0 HE2 PHE A 26 4.852 -15.385 -20.961 1.00 25.00 H new ATOM 0 HZ PHE A 26 5.868 -16.279 -23.052 1.00 25.00 H new ATOM 399 N ARG A 27 -0.695 -15.788 -25.205 1.00 25.00 N ATOM 400 CA ARG A 27 -0.775 -16.713 -26.335 1.00 25.00 C ATOM 401 C ARG A 27 -0.062 -16.167 -27.549 1.00 25.00 C ATOM 402 O ARG A 27 0.052 -14.964 -27.712 1.00 25.00 O ATOM 403 CB ARG A 27 -2.234 -17.009 -26.672 1.00 25.00 C ATOM 404 CG ARG A 27 -3.000 -17.567 -25.486 1.00 25.00 C ATOM 405 CD ARG A 27 -4.340 -18.104 -25.913 1.00 25.00 C ATOM 406 NE ARG A 27 -5.189 -18.427 -24.753 1.00 25.00 N ATOM 407 CZ ARG A 27 -5.981 -17.567 -24.115 1.00 25.00 C ATOM 408 NH1 ARG A 27 -6.077 -16.304 -24.460 1.00 25.00 N ATOM 409 NH2 ARG A 27 -6.690 -17.987 -23.106 1.00 25.00 N ATOM 0 H ARG A 27 -0.973 -14.829 -25.415 1.00 25.00 H new ATOM 0 HA ARG A 27 -0.279 -17.639 -26.043 1.00 25.00 H new ATOM 0 HB2 ARG A 27 -2.717 -16.095 -27.016 1.00 25.00 H new ATOM 0 HB3 ARG A 27 -2.276 -17.721 -27.496 1.00 25.00 H new ATOM 0 HG2 ARG A 27 -2.420 -18.360 -25.015 1.00 25.00 H new ATOM 0 HG3 ARG A 27 -3.139 -16.786 -24.738 1.00 25.00 H new ATOM 0 HD2 ARG A 27 -4.844 -17.369 -26.540 1.00 25.00 H new ATOM 0 HD3 ARG A 27 -4.198 -18.998 -26.521 1.00 25.00 H new ATOM 0 HE ARG A 27 -5.169 -19.388 -24.411 1.00 25.00 H new ATOM 0 HH11 ARG A 27 -5.532 -15.947 -25.245 1.00 25.00 H new ATOM 0 HH12 ARG A 27 -6.697 -15.680 -23.943 1.00 25.00 H new ATOM 0 HH21 ARG A 27 -6.634 -18.963 -22.814 1.00 25.00 H new ATOM 0 HH22 ARG A 27 -7.301 -17.340 -22.608 1.00 25.00 H new ATOM 423 N LYS A 28 0.387 -17.056 -28.418 1.00 25.00 N ATOM 424 CA LYS A 28 1.014 -16.639 -29.669 1.00 25.00 C ATOM 425 C LYS A 28 0.031 -15.775 -30.445 1.00 25.00 C ATOM 426 O LYS A 28 -1.142 -16.121 -30.588 1.00 25.00 O ATOM 427 CB LYS A 28 1.464 -17.854 -30.497 1.00 25.00 C ATOM 428 CG LYS A 28 0.381 -18.880 -30.819 1.00 25.00 C ATOM 429 CD LYS A 28 1.009 -20.115 -31.460 1.00 25.00 C ATOM 430 CE LYS A 28 -0.041 -21.175 -31.784 1.00 25.00 C ATOM 431 NZ LYS A 28 -0.979 -20.716 -32.867 1.00 25.00 N ATOM 0 H LYS A 28 0.332 -18.066 -28.286 1.00 25.00 H new ATOM 0 HA LYS A 28 1.910 -16.058 -29.450 1.00 25.00 H new ATOM 0 HB2 LYS A 28 1.886 -17.494 -31.435 1.00 25.00 H new ATOM 0 HB3 LYS A 28 2.267 -18.358 -29.959 1.00 25.00 H new ATOM 0 HG2 LYS A 28 -0.148 -19.161 -29.908 1.00 25.00 H new ATOM 0 HG3 LYS A 28 -0.356 -18.444 -31.494 1.00 25.00 H new ATOM 0 HD2 LYS A 28 1.530 -19.827 -32.373 1.00 25.00 H new ATOM 0 HD3 LYS A 28 1.756 -20.536 -30.786 1.00 25.00 H new ATOM 0 HE2 LYS A 28 0.454 -22.094 -32.097 1.00 25.00 H new ATOM 0 HE3 LYS A 28 -0.610 -21.410 -30.885 1.00 25.00 H new ATOM 0 HZ1 LYS A 28 -1.590 -21.507 -33.155 1.00 25.00 H new ATOM 0 HZ2 LYS A 28 -1.567 -19.936 -32.510 1.00 25.00 H new ATOM 0 HZ3 LYS A 28 -0.429 -20.387 -33.686 1.00 25.00 H new ATOM 445 N GLY A 29 0.507 -14.633 -30.909 1.00 25.00 N ATOM 446 CA GLY A 29 -0.334 -13.690 -31.626 1.00 25.00 C ATOM 447 C GLY A 29 -0.812 -12.522 -30.780 1.00 25.00 C ATOM 448 O GLY A 29 -1.180 -11.489 -31.333 1.00 25.00 O ATOM 0 H GLY A 29 1.477 -14.335 -30.801 1.00 25.00 H new ATOM 0 HA2 GLY A 29 0.219 -13.303 -32.482 1.00 25.00 H new ATOM 0 HA3 GLY A 29 -1.202 -14.219 -32.020 1.00 25.00 H new ATOM 452 N ASP A 30 -0.801 -12.679 -29.462 1.00 25.00 N ATOM 453 CA ASP A 30 -1.279 -11.639 -28.541 1.00 25.00 C ATOM 454 C ASP A 30 -0.286 -10.472 -28.465 1.00 25.00 C ATOM 455 O ASP A 30 0.880 -10.614 -28.851 1.00 25.00 O ATOM 456 CB ASP A 30 -1.480 -12.249 -27.147 1.00 25.00 C ATOM 457 CG ASP A 30 -2.613 -11.603 -26.377 1.00 25.00 C ATOM 458 OD1 ASP A 30 -3.055 -10.495 -26.748 1.00 25.00 O ATOM 459 OD2 ASP A 30 -3.111 -12.253 -25.432 1.00 25.00 O ATOM 0 H ASP A 30 -0.464 -13.522 -28.998 1.00 25.00 H new ATOM 0 HA ASP A 30 -2.227 -11.251 -28.914 1.00 25.00 H new ATOM 0 HB2 ASP A 30 -1.679 -13.316 -27.248 1.00 25.00 H new ATOM 0 HB3 ASP A 30 -0.557 -12.150 -26.576 1.00 25.00 H new ATOM 464 N ILE A 31 -0.754 -9.328 -27.981 1.00 25.00 N ATOM 465 CA ILE A 31 0.044 -8.099 -27.904 1.00 25.00 C ATOM 466 C ILE A 31 0.106 -7.630 -26.452 1.00 25.00 C ATOM 467 O ILE A 31 -0.925 -7.504 -25.803 1.00 25.00 O ATOM 468 CB ILE A 31 -0.615 -6.943 -28.735 1.00 25.00 C ATOM 469 CG1 ILE A 31 -0.952 -7.400 -30.174 1.00 25.00 C ATOM 470 CG2 ILE A 31 0.300 -5.683 -28.754 1.00 25.00 C ATOM 471 CD1 ILE A 31 0.234 -7.800 -31.030 1.00 25.00 C ATOM 0 H ILE A 31 -1.705 -9.221 -27.627 1.00 25.00 H new ATOM 0 HA ILE A 31 1.035 -8.321 -28.300 1.00 25.00 H new ATOM 0 HB ILE A 31 -1.552 -6.678 -28.245 1.00 25.00 H new ATOM 0 HG12 ILE A 31 -1.637 -8.246 -30.116 1.00 25.00 H new ATOM 0 HG13 ILE A 31 -1.484 -6.593 -30.677 1.00 25.00 H new ATOM 0 HG21 ILE A 31 -0.178 -4.895 -29.336 1.00 25.00 H new ATOM 0 HG22 ILE A 31 0.460 -5.334 -27.734 1.00 25.00 H new ATOM 0 HG23 ILE A 31 1.259 -5.937 -29.205 1.00 25.00 H new ATOM 0 HD11 ILE A 31 -0.115 -8.103 -32.017 1.00 25.00 H new ATOM 0 HD12 ILE A 31 0.913 -6.953 -31.129 1.00 25.00 H new ATOM 0 HD13 ILE A 31 0.758 -8.632 -30.560 1.00 25.00 H new ATOM 483 N MET A 32 1.300 -7.341 -25.953 1.00 25.00 N ATOM 484 CA MET A 32 1.459 -6.858 -24.581 1.00 25.00 C ATOM 485 C MET A 32 2.440 -5.702 -24.510 1.00 25.00 C ATOM 486 O MET A 32 3.403 -5.629 -25.283 1.00 25.00 O ATOM 487 CB MET A 32 1.917 -7.989 -23.643 1.00 25.00 C ATOM 488 CG MET A 32 3.229 -8.703 -24.033 1.00 25.00 C ATOM 489 SD MET A 32 3.080 -9.844 -25.440 1.00 25.00 S ATOM 490 CE MET A 32 2.033 -11.109 -24.749 1.00 25.00 C ATOM 0 H MET A 32 2.173 -7.431 -26.473 1.00 25.00 H new ATOM 0 HA MET A 32 0.482 -6.503 -24.252 1.00 25.00 H new ATOM 0 HB2 MET A 32 2.035 -7.577 -22.641 1.00 25.00 H new ATOM 0 HB3 MET A 32 1.123 -8.734 -23.590 1.00 25.00 H new ATOM 0 HG2 MET A 32 3.980 -7.950 -24.271 1.00 25.00 H new ATOM 0 HG3 MET A 32 3.596 -9.258 -23.169 1.00 25.00 H new ATOM 0 HE1 MET A 32 2.548 -12.069 -24.787 1.00 25.00 H new ATOM 0 HE2 MET A 32 1.800 -10.863 -23.713 1.00 25.00 H new ATOM 0 HE3 MET A 32 1.109 -11.171 -25.324 1.00 25.00 H new ATOM 500 N THR A 33 2.196 -4.798 -23.574 1.00 25.00 N ATOM 501 CA THR A 33 3.088 -3.663 -23.352 1.00 25.00 C ATOM 502 C THR A 33 4.228 -4.141 -22.477 1.00 25.00 C ATOM 503 O THR A 33 3.993 -4.794 -21.462 1.00 25.00 O ATOM 504 CB THR A 33 2.355 -2.505 -22.637 1.00 25.00 C ATOM 505 OG1 THR A 33 1.159 -2.197 -23.357 1.00 25.00 O ATOM 506 CG2 THR A 33 3.214 -1.237 -22.581 1.00 25.00 C ATOM 0 H THR A 33 1.387 -4.826 -22.953 1.00 25.00 H new ATOM 0 HA THR A 33 3.447 -3.292 -24.312 1.00 25.00 H new ATOM 0 HB THR A 33 2.138 -2.827 -21.618 1.00 25.00 H new ATOM 0 HG1 THR A 33 0.687 -1.464 -22.909 1.00 25.00 H new ATOM 0 HG21 THR A 33 2.663 -0.447 -22.071 1.00 25.00 H new ATOM 0 HG22 THR A 33 4.136 -1.446 -22.038 1.00 25.00 H new ATOM 0 HG23 THR A 33 3.455 -0.916 -23.594 1.00 25.00 H new ATOM 514 N VAL A 34 5.451 -3.812 -22.858 1.00 25.00 N ATOM 515 CA VAL A 34 6.631 -4.141 -22.064 1.00 25.00 C ATOM 516 C VAL A 34 6.912 -2.921 -21.200 1.00 25.00 C ATOM 517 O VAL A 34 7.084 -1.806 -21.704 1.00 25.00 O ATOM 518 CB VAL A 34 7.860 -4.460 -22.958 1.00 25.00 C ATOM 519 CG1 VAL A 34 9.132 -4.613 -22.109 1.00 25.00 C ATOM 520 CG2 VAL A 34 7.618 -5.747 -23.765 1.00 25.00 C ATOM 0 H VAL A 34 5.657 -3.311 -23.722 1.00 25.00 H new ATOM 0 HA VAL A 34 6.449 -5.033 -21.465 1.00 25.00 H new ATOM 0 HB VAL A 34 7.998 -3.626 -23.646 1.00 25.00 H new ATOM 0 HG11 VAL A 34 9.978 -4.836 -22.759 1.00 25.00 H new ATOM 0 HG12 VAL A 34 9.323 -3.685 -21.570 1.00 25.00 H new ATOM 0 HG13 VAL A 34 8.998 -5.426 -21.396 1.00 25.00 H new ATOM 0 HG21 VAL A 34 8.489 -5.956 -24.386 1.00 25.00 H new ATOM 0 HG22 VAL A 34 7.452 -6.579 -23.081 1.00 25.00 H new ATOM 0 HG23 VAL A 34 6.742 -5.619 -24.400 1.00 25.00 H new ATOM 530 N LEU A 35 6.909 -3.131 -19.895 1.00 25.00 N ATOM 531 CA LEU A 35 7.089 -2.049 -18.947 1.00 25.00 C ATOM 532 C LEU A 35 8.569 -1.808 -18.701 1.00 25.00 C ATOM 533 O LEU A 35 9.021 -0.671 -18.733 1.00 25.00 O ATOM 534 CB LEU A 35 6.388 -2.386 -17.623 1.00 25.00 C ATOM 535 CG LEU A 35 4.887 -2.730 -17.703 1.00 25.00 C ATOM 536 CD1 LEU A 35 4.369 -3.057 -16.320 1.00 25.00 C ATOM 537 CD2 LEU A 35 4.062 -1.590 -18.290 1.00 25.00 C ATOM 0 H LEU A 35 6.783 -4.048 -19.467 1.00 25.00 H new ATOM 0 HA LEU A 35 6.648 -1.143 -19.362 1.00 25.00 H new ATOM 0 HB2 LEU A 35 6.907 -3.230 -17.168 1.00 25.00 H new ATOM 0 HB3 LEU A 35 6.507 -1.538 -16.949 1.00 25.00 H new ATOM 0 HG LEU A 35 4.785 -3.590 -18.365 1.00 25.00 H new ATOM 0 HD11 LEU A 35 3.308 -3.300 -16.377 1.00 25.00 H new ATOM 0 HD12 LEU A 35 4.916 -3.910 -15.919 1.00 25.00 H new ATOM 0 HD13 LEU A 35 4.509 -2.196 -15.666 1.00 25.00 H new ATOM 0 HD21 LEU A 35 3.012 -1.881 -18.325 1.00 25.00 H new ATOM 0 HD22 LEU A 35 4.172 -0.703 -17.666 1.00 25.00 H new ATOM 0 HD23 LEU A 35 4.412 -1.370 -19.299 1.00 25.00 H new ATOM 549 N GLU A 36 9.314 -2.885 -18.472 1.00 25.00 N ATOM 550 CA GLU A 36 10.748 -2.809 -18.171 1.00 25.00 C ATOM 551 C GLU A 36 11.406 -4.138 -18.583 1.00 25.00 C ATOM 552 O GLU A 36 10.702 -5.131 -18.801 1.00 25.00 O ATOM 553 CB GLU A 36 10.941 -2.526 -16.666 1.00 25.00 C ATOM 554 CG GLU A 36 12.386 -2.213 -16.219 1.00 25.00 C ATOM 555 CD GLU A 36 13.047 -1.114 -17.052 1.00 25.00 C ATOM 556 OE1 GLU A 36 13.521 -1.423 -18.177 1.00 25.00 O ATOM 557 OE2 GLU A 36 13.104 0.044 -16.592 1.00 25.00 O ATOM 0 H GLU A 36 8.946 -3.836 -18.489 1.00 25.00 H new ATOM 0 HA GLU A 36 11.219 -1.998 -18.727 1.00 25.00 H new ATOM 0 HB2 GLU A 36 10.305 -1.685 -16.390 1.00 25.00 H new ATOM 0 HB3 GLU A 36 10.587 -3.391 -16.105 1.00 25.00 H new ATOM 0 HG2 GLU A 36 12.379 -1.912 -15.171 1.00 25.00 H new ATOM 0 HG3 GLU A 36 12.985 -3.121 -16.285 1.00 25.00 H new ATOM 564 N ARG A 37 12.730 -4.160 -18.718 1.00 25.00 N ATOM 565 CA ARG A 37 13.474 -5.362 -19.130 1.00 25.00 C ATOM 566 C ARG A 37 14.497 -5.736 -18.060 1.00 25.00 C ATOM 567 O ARG A 37 14.915 -4.880 -17.299 1.00 25.00 O ATOM 568 CB ARG A 37 14.187 -5.102 -20.456 1.00 25.00 C ATOM 569 CG ARG A 37 13.240 -4.737 -21.585 1.00 25.00 C ATOM 570 CD ARG A 37 13.992 -4.460 -22.859 1.00 25.00 C ATOM 571 NE ARG A 37 13.100 -3.889 -23.881 1.00 25.00 N ATOM 572 CZ ARG A 37 13.486 -3.454 -25.074 1.00 25.00 C ATOM 573 NH1 ARG A 37 14.737 -3.506 -25.464 1.00 25.00 N ATOM 574 NH2 ARG A 37 12.601 -2.943 -25.882 1.00 25.00 N ATOM 0 H ARG A 37 13.323 -3.348 -18.546 1.00 25.00 H new ATOM 0 HA ARG A 37 12.772 -6.186 -19.255 1.00 25.00 H new ATOM 0 HB2 ARG A 37 14.908 -4.296 -20.321 1.00 25.00 H new ATOM 0 HB3 ARG A 37 14.752 -5.991 -20.738 1.00 25.00 H new ATOM 0 HG2 ARG A 37 12.533 -5.550 -21.747 1.00 25.00 H new ATOM 0 HG3 ARG A 37 12.658 -3.859 -21.305 1.00 25.00 H new ATOM 0 HD2 ARG A 37 14.812 -3.770 -22.660 1.00 25.00 H new ATOM 0 HD3 ARG A 37 14.436 -5.383 -23.232 1.00 25.00 H new ATOM 0 HE ARG A 37 12.108 -3.822 -23.655 1.00 25.00 H new ATOM 0 HH11 ARG A 37 15.449 -3.890 -24.843 1.00 25.00 H new ATOM 0 HH12 ARG A 37 14.998 -3.162 -26.388 1.00 25.00 H new ATOM 0 HH21 ARG A 37 11.624 -2.881 -25.595 1.00 25.00 H new ATOM 0 HH22 ARG A 37 12.885 -2.605 -26.802 1.00 25.00 H new ATOM 588 N ASP A 38 14.848 -7.018 -18.010 1.00 25.00 N ATOM 589 CA ASP A 38 15.738 -7.587 -16.976 1.00 25.00 C ATOM 590 C ASP A 38 15.168 -7.251 -15.600 1.00 25.00 C ATOM 591 O ASP A 38 15.841 -6.792 -14.683 1.00 25.00 O ATOM 592 CB ASP A 38 17.190 -7.123 -17.116 1.00 25.00 C ATOM 593 CG ASP A 38 18.141 -7.981 -16.297 1.00 25.00 C ATOM 594 OD1 ASP A 38 19.365 -7.754 -16.347 1.00 25.00 O ATOM 595 OD2 ASP A 38 17.653 -8.914 -15.617 1.00 25.00 O ATOM 0 H ASP A 38 14.524 -7.707 -18.689 1.00 25.00 H new ATOM 0 HA ASP A 38 15.770 -8.669 -17.107 1.00 25.00 H new ATOM 0 HB2 ASP A 38 17.482 -7.157 -18.165 1.00 25.00 H new ATOM 0 HB3 ASP A 38 17.272 -6.084 -16.796 1.00 25.00 H new ATOM 600 N THR A 39 13.868 -7.465 -15.495 1.00 25.00 N ATOM 601 CA THR A 39 13.097 -7.064 -14.323 1.00 25.00 C ATOM 602 C THR A 39 13.386 -7.888 -13.065 1.00 25.00 C ATOM 603 O THR A 39 12.859 -7.588 -11.994 1.00 25.00 O ATOM 604 CB THR A 39 11.585 -7.168 -14.652 1.00 25.00 C ATOM 605 OG1 THR A 39 10.813 -6.620 -13.583 1.00 25.00 O ATOM 606 CG2 THR A 39 11.151 -8.625 -14.883 1.00 25.00 C ATOM 0 H THR A 39 13.313 -7.922 -16.219 1.00 25.00 H new ATOM 0 HA THR A 39 13.397 -6.041 -14.097 1.00 25.00 H new ATOM 0 HB THR A 39 11.413 -6.606 -15.570 1.00 25.00 H new ATOM 0 HG1 THR A 39 11.270 -6.784 -12.732 1.00 25.00 H new ATOM 0 HG21 THR A 39 10.085 -8.656 -15.111 1.00 25.00 H new ATOM 0 HG22 THR A 39 11.713 -9.044 -15.718 1.00 25.00 H new ATOM 0 HG23 THR A 39 11.347 -9.210 -13.984 1.00 25.00 H new ATOM 614 N GLN A 40 14.187 -8.941 -13.189 1.00 25.00 N ATOM 615 CA GLN A 40 14.438 -9.847 -12.068 1.00 25.00 C ATOM 616 C GLN A 40 15.906 -10.257 -11.905 1.00 25.00 C ATOM 617 O GLN A 40 16.224 -11.132 -11.103 1.00 25.00 O ATOM 618 CB GLN A 40 13.581 -11.101 -12.265 1.00 25.00 C ATOM 619 CG GLN A 40 13.094 -11.740 -10.967 1.00 25.00 C ATOM 620 CD GLN A 40 12.348 -13.026 -11.216 1.00 25.00 C ATOM 621 OE1 GLN A 40 11.547 -13.118 -12.125 1.00 25.00 O ATOM 622 NE2 GLN A 40 12.624 -14.026 -10.423 1.00 25.00 N ATOM 0 H GLN A 40 14.673 -9.190 -14.050 1.00 25.00 H new ATOM 0 HA GLN A 40 14.176 -9.308 -11.158 1.00 25.00 H new ATOM 0 HB2 GLN A 40 12.716 -10.843 -12.876 1.00 25.00 H new ATOM 0 HB3 GLN A 40 14.158 -11.837 -12.824 1.00 25.00 H new ATOM 0 HG2 GLN A 40 13.947 -11.936 -10.317 1.00 25.00 H new ATOM 0 HG3 GLN A 40 12.445 -11.041 -10.440 1.00 25.00 H new ATOM 0 HE21 GLN A 40 13.303 -13.908 -9.671 1.00 25.00 H new ATOM 0 HE22 GLN A 40 12.161 -14.925 -10.556 1.00 25.00 H new ATOM 631 N GLY A 41 16.800 -9.671 -12.689 1.00 25.00 N ATOM 632 CA GLY A 41 18.189 -10.109 -12.665 1.00 25.00 C ATOM 633 C GLY A 41 18.310 -11.378 -13.488 1.00 25.00 C ATOM 634 O GLY A 41 19.221 -12.185 -13.310 1.00 25.00 O ATOM 0 H GLY A 41 16.596 -8.909 -13.335 1.00 25.00 H new ATOM 0 HA2 GLY A 41 18.838 -9.332 -13.070 1.00 25.00 H new ATOM 0 HA3 GLY A 41 18.511 -10.291 -11.640 1.00 25.00 H new ATOM 638 N LEU A 42 17.354 -11.545 -14.391 1.00 25.00 N ATOM 639 CA LEU A 42 17.322 -12.660 -15.321 1.00 25.00 C ATOM 640 C LEU A 42 17.294 -12.014 -16.692 1.00 25.00 C ATOM 641 O LEU A 42 16.287 -11.407 -17.086 1.00 25.00 O ATOM 642 CB LEU A 42 16.063 -13.512 -15.114 1.00 25.00 C ATOM 643 CG LEU A 42 15.885 -14.207 -13.754 1.00 25.00 C ATOM 644 CD1 LEU A 42 14.508 -14.878 -13.711 1.00 25.00 C ATOM 645 CD2 LEU A 42 16.975 -15.248 -13.505 1.00 25.00 C ATOM 0 H LEU A 42 16.570 -10.901 -14.498 1.00 25.00 H new ATOM 0 HA LEU A 42 18.174 -13.326 -15.186 1.00 25.00 H new ATOM 0 HB2 LEU A 42 15.195 -12.874 -15.280 1.00 25.00 H new ATOM 0 HB3 LEU A 42 16.047 -14.280 -15.887 1.00 25.00 H new ATOM 0 HG LEU A 42 15.963 -13.453 -12.971 1.00 25.00 H new ATOM 0 HD11 LEU A 42 14.374 -15.373 -12.749 1.00 25.00 H new ATOM 0 HD12 LEU A 42 13.732 -14.124 -13.842 1.00 25.00 H new ATOM 0 HD13 LEU A 42 14.437 -15.615 -14.511 1.00 25.00 H new ATOM 0 HD21 LEU A 42 16.815 -15.717 -12.534 1.00 25.00 H new ATOM 0 HD22 LEU A 42 16.938 -16.008 -14.286 1.00 25.00 H new ATOM 0 HD23 LEU A 42 17.951 -14.763 -13.517 1.00 25.00 H new ATOM 657 N ASP A 43 18.386 -12.138 -17.424 1.00 25.00 N ATOM 658 CA ASP A 43 18.484 -11.502 -18.726 1.00 25.00 C ATOM 659 C ASP A 43 17.463 -12.129 -19.663 1.00 25.00 C ATOM 660 O ASP A 43 17.152 -13.322 -19.587 1.00 25.00 O ATOM 661 CB ASP A 43 19.894 -11.629 -19.309 1.00 25.00 C ATOM 662 CG ASP A 43 20.101 -10.737 -20.535 1.00 25.00 C ATOM 663 OD1 ASP A 43 21.066 -10.981 -21.288 1.00 25.00 O ATOM 664 OD2 ASP A 43 19.276 -9.815 -20.769 1.00 25.00 O ATOM 0 H ASP A 43 19.211 -12.668 -17.143 1.00 25.00 H new ATOM 0 HA ASP A 43 18.276 -10.438 -18.612 1.00 25.00 H new ATOM 0 HB2 ASP A 43 20.625 -11.367 -18.545 1.00 25.00 H new ATOM 0 HB3 ASP A 43 20.079 -12.668 -19.583 1.00 25.00 H new ATOM 669 N GLY A 44 16.909 -11.296 -20.522 1.00 25.00 N ATOM 670 CA GLY A 44 15.907 -11.736 -21.469 1.00 25.00 C ATOM 671 C GLY A 44 14.494 -11.720 -20.924 1.00 25.00 C ATOM 672 O GLY A 44 13.567 -11.766 -21.713 1.00 25.00 O ATOM 0 H GLY A 44 17.139 -10.304 -20.582 1.00 25.00 H new ATOM 0 HA2 GLY A 44 15.952 -11.099 -22.352 1.00 25.00 H new ATOM 0 HA3 GLY A 44 16.149 -12.748 -21.794 1.00 25.00 H new ATOM 676 N TRP A 45 14.298 -11.648 -19.615 1.00 25.00 N ATOM 677 CA TRP A 45 12.937 -11.604 -19.063 1.00 25.00 C ATOM 678 C TRP A 45 12.458 -10.164 -18.975 1.00 25.00 C ATOM 679 O TRP A 45 13.184 -9.282 -18.522 1.00 25.00 O ATOM 680 CB TRP A 45 12.891 -12.252 -17.682 1.00 25.00 C ATOM 681 CG TRP A 45 12.934 -13.745 -17.760 1.00 25.00 C ATOM 682 CD1 TRP A 45 14.029 -14.534 -17.905 1.00 25.00 C ATOM 683 CD2 TRP A 45 11.814 -14.651 -17.710 1.00 25.00 C ATOM 684 NE1 TRP A 45 13.696 -15.856 -17.946 1.00 25.00 N ATOM 685 CE2 TRP A 45 12.336 -15.974 -17.832 1.00 25.00 C ATOM 686 CE3 TRP A 45 10.422 -14.482 -17.573 1.00 25.00 C ATOM 687 CZ2 TRP A 45 11.509 -17.116 -17.818 1.00 25.00 C ATOM 688 CZ3 TRP A 45 9.587 -15.627 -17.548 1.00 25.00 C ATOM 689 CH2 TRP A 45 10.143 -16.934 -17.676 1.00 25.00 C ATOM 0 H TRP A 45 15.044 -11.619 -18.920 1.00 25.00 H new ATOM 0 HA TRP A 45 12.279 -12.162 -19.728 1.00 25.00 H new ATOM 0 HB2 TRP A 45 13.732 -11.896 -17.087 1.00 25.00 H new ATOM 0 HB3 TRP A 45 11.982 -11.942 -17.167 1.00 25.00 H new ATOM 0 HD1 TRP A 45 15.040 -14.161 -17.979 1.00 25.00 H new ATOM 0 HE1 TRP A 45 14.352 -16.630 -18.045 1.00 25.00 H new ATOM 0 HE3 TRP A 45 9.997 -13.493 -17.488 1.00 25.00 H new ATOM 0 HZ2 TRP A 45 11.929 -18.106 -17.915 1.00 25.00 H new ATOM 0 HZ3 TRP A 45 8.520 -15.509 -17.431 1.00 25.00 H new ATOM 0 HH2 TRP A 45 9.490 -17.794 -17.662 1.00 25.00 H new ATOM 700 N TRP A 46 11.246 -9.913 -19.449 1.00 25.00 N ATOM 701 CA TRP A 46 10.699 -8.565 -19.486 1.00 25.00 C ATOM 702 C TRP A 46 9.429 -8.533 -18.656 1.00 25.00 C ATOM 703 O TRP A 46 8.666 -9.498 -18.648 1.00 25.00 O ATOM 704 CB TRP A 46 10.377 -8.167 -20.930 1.00 25.00 C ATOM 705 CG TRP A 46 11.569 -8.181 -21.877 1.00 25.00 C ATOM 706 CD1 TRP A 46 12.888 -8.314 -21.563 1.00 25.00 C ATOM 707 CD2 TRP A 46 11.538 -8.067 -23.315 1.00 25.00 C ATOM 708 NE1 TRP A 46 13.676 -8.298 -22.671 1.00 25.00 N ATOM 709 CE2 TRP A 46 12.887 -8.146 -23.774 1.00 25.00 C ATOM 710 CE3 TRP A 46 10.507 -7.925 -24.264 1.00 25.00 C ATOM 711 CZ2 TRP A 46 13.223 -8.082 -25.140 1.00 25.00 C ATOM 712 CZ3 TRP A 46 10.838 -7.864 -25.640 1.00 25.00 C ATOM 713 CH2 TRP A 46 12.199 -7.944 -26.062 1.00 25.00 C ATOM 0 H TRP A 46 10.620 -10.630 -19.815 1.00 25.00 H new ATOM 0 HA TRP A 46 11.429 -7.863 -19.083 1.00 25.00 H new ATOM 0 HB2 TRP A 46 9.615 -8.844 -21.317 1.00 25.00 H new ATOM 0 HB3 TRP A 46 9.944 -7.167 -20.928 1.00 25.00 H new ATOM 0 HD1 TRP A 46 13.263 -8.419 -20.556 1.00 25.00 H new ATOM 0 HE1 TRP A 46 14.692 -8.385 -22.677 1.00 25.00 H new ATOM 0 HE3 TRP A 46 9.477 -7.863 -23.946 1.00 25.00 H new ATOM 0 HZ2 TRP A 46 14.253 -8.139 -25.460 1.00 25.00 H new ATOM 0 HZ3 TRP A 46 10.054 -7.756 -26.375 1.00 25.00 H new ATOM 0 HH2 TRP A 46 12.434 -7.896 -27.115 1.00 25.00 H new ATOM 724 N LEU A 47 9.190 -7.427 -17.974 1.00 25.00 N ATOM 725 CA LEU A 47 7.960 -7.253 -17.218 1.00 25.00 C ATOM 726 C LEU A 47 6.941 -6.722 -18.200 1.00 25.00 C ATOM 727 O LEU A 47 7.151 -5.665 -18.788 1.00 25.00 O ATOM 728 CB LEU A 47 8.155 -6.250 -16.078 1.00 25.00 C ATOM 729 CG LEU A 47 6.936 -6.038 -15.166 1.00 25.00 C ATOM 730 CD1 LEU A 47 6.604 -7.297 -14.361 1.00 25.00 C ATOM 731 CD2 LEU A 47 7.215 -4.880 -14.216 1.00 25.00 C ATOM 0 H LEU A 47 9.831 -6.635 -17.927 1.00 25.00 H new ATOM 0 HA LEU A 47 7.643 -8.193 -16.767 1.00 25.00 H new ATOM 0 HB2 LEU A 47 8.992 -6.583 -15.464 1.00 25.00 H new ATOM 0 HB3 LEU A 47 8.437 -5.289 -16.508 1.00 25.00 H new ATOM 0 HG LEU A 47 6.076 -5.811 -15.796 1.00 25.00 H new ATOM 0 HD11 LEU A 47 5.737 -7.106 -13.729 1.00 25.00 H new ATOM 0 HD12 LEU A 47 6.382 -8.117 -15.044 1.00 25.00 H new ATOM 0 HD13 LEU A 47 7.456 -7.565 -13.737 1.00 25.00 H new ATOM 0 HD21 LEU A 47 6.353 -4.726 -13.567 1.00 25.00 H new ATOM 0 HD22 LEU A 47 8.090 -5.111 -13.608 1.00 25.00 H new ATOM 0 HD23 LEU A 47 7.402 -3.974 -14.792 1.00 25.00 H new ATOM 743 N CYS A 48 5.866 -7.458 -18.420 1.00 25.00 N ATOM 744 CA CYS A 48 4.840 -7.037 -19.359 1.00 25.00 C ATOM 745 C CYS A 48 3.504 -6.896 -18.651 1.00 25.00 C ATOM 746 O CYS A 48 3.327 -7.413 -17.554 1.00 25.00 O ATOM 747 CB CYS A 48 4.731 -8.059 -20.487 1.00 25.00 C ATOM 748 SG CYS A 48 6.306 -8.347 -21.324 1.00 25.00 S ATOM 0 H CYS A 48 5.680 -8.350 -17.962 1.00 25.00 H new ATOM 0 HA CYS A 48 5.114 -6.068 -19.776 1.00 25.00 H new ATOM 0 HB2 CYS A 48 4.362 -9.002 -20.083 1.00 25.00 H new ATOM 0 HB3 CYS A 48 3.996 -7.714 -21.214 1.00 25.00 H new ATOM 0 HG CYS A 48 7.106 -7.348 -21.098 1.00 25.00 H new ATOM 754 N SER A 49 2.562 -6.223 -19.295 1.00 25.00 N ATOM 755 CA SER A 49 1.204 -6.083 -18.768 1.00 25.00 C ATOM 756 C SER A 49 0.203 -6.560 -19.816 1.00 25.00 C ATOM 757 O SER A 49 0.301 -6.192 -20.992 1.00 25.00 O ATOM 758 CB SER A 49 0.925 -4.633 -18.372 1.00 25.00 C ATOM 759 OG SER A 49 -0.381 -4.495 -17.841 1.00 25.00 O ATOM 0 H SER A 49 2.711 -5.760 -20.192 1.00 25.00 H new ATOM 0 HA SER A 49 1.102 -6.697 -17.873 1.00 25.00 H new ATOM 0 HB2 SER A 49 1.658 -4.306 -17.634 1.00 25.00 H new ATOM 0 HB3 SER A 49 1.038 -3.986 -19.242 1.00 25.00 H new ATOM 0 HG SER A 49 -0.536 -3.560 -17.593 1.00 25.00 H new ATOM 765 N LEU A 50 -0.714 -7.419 -19.385 1.00 25.00 N ATOM 766 CA LEU A 50 -1.713 -8.046 -20.253 1.00 25.00 C ATOM 767 C LEU A 50 -2.846 -8.583 -19.379 1.00 25.00 C ATOM 768 O LEU A 50 -2.600 -9.038 -18.270 1.00 25.00 O ATOM 769 CB LEU A 50 -1.072 -9.220 -21.014 1.00 25.00 C ATOM 770 CG LEU A 50 -1.958 -9.998 -22.006 1.00 25.00 C ATOM 771 CD1 LEU A 50 -2.288 -9.158 -23.229 1.00 25.00 C ATOM 772 CD2 LEU A 50 -1.258 -11.273 -22.427 1.00 25.00 C ATOM 0 H LEU A 50 -0.788 -7.706 -18.409 1.00 25.00 H new ATOM 0 HA LEU A 50 -2.094 -7.315 -20.967 1.00 25.00 H new ATOM 0 HB2 LEU A 50 -0.212 -8.835 -21.562 1.00 25.00 H new ATOM 0 HB3 LEU A 50 -0.690 -9.928 -20.279 1.00 25.00 H new ATOM 0 HG LEU A 50 -2.894 -10.244 -21.505 1.00 25.00 H new ATOM 0 HD11 LEU A 50 -2.914 -9.736 -23.909 1.00 25.00 H new ATOM 0 HD12 LEU A 50 -2.821 -8.259 -22.920 1.00 25.00 H new ATOM 0 HD13 LEU A 50 -1.365 -8.876 -23.736 1.00 25.00 H new ATOM 0 HD21 LEU A 50 -1.888 -11.820 -23.128 1.00 25.00 H new ATOM 0 HD22 LEU A 50 -0.311 -11.027 -22.907 1.00 25.00 H new ATOM 0 HD23 LEU A 50 -1.070 -11.892 -21.550 1.00 25.00 H new ATOM 784 N HIS A 51 -4.074 -8.558 -19.890 1.00 25.00 N ATOM 785 CA HIS A 51 -5.237 -9.163 -19.214 1.00 25.00 C ATOM 786 C HIS A 51 -5.491 -8.588 -17.809 1.00 25.00 C ATOM 787 O HIS A 51 -5.946 -9.285 -16.909 1.00 25.00 O ATOM 788 CB HIS A 51 -5.060 -10.694 -19.142 1.00 25.00 C ATOM 789 CG HIS A 51 -6.348 -11.458 -19.085 1.00 25.00 C ATOM 790 ND1 HIS A 51 -6.442 -12.813 -19.271 1.00 25.00 N ATOM 791 CD2 HIS A 51 -7.626 -11.046 -18.846 1.00 25.00 C ATOM 792 CE1 HIS A 51 -7.717 -13.164 -19.146 1.00 25.00 C ATOM 793 NE2 HIS A 51 -8.486 -12.126 -18.890 1.00 25.00 N ATOM 0 H HIS A 51 -4.299 -8.120 -20.783 1.00 25.00 H new ATOM 0 HA HIS A 51 -6.115 -8.915 -19.810 1.00 25.00 H new ATOM 0 HB2 HIS A 51 -4.492 -11.024 -20.012 1.00 25.00 H new ATOM 0 HB3 HIS A 51 -4.466 -10.939 -18.262 1.00 25.00 H new ATOM 0 HD2 HIS A 51 -7.922 -10.026 -18.651 1.00 25.00 H new ATOM 0 HE1 HIS A 51 -8.079 -14.177 -19.243 1.00 25.00 H new ATOM 0 HE2 HIS A 51 -9.497 -12.121 -18.754 1.00 25.00 H new ATOM 801 N GLY A 52 -5.185 -7.311 -17.624 1.00 25.00 N ATOM 802 CA GLY A 52 -5.437 -6.660 -16.347 1.00 25.00 C ATOM 803 C GLY A 52 -4.410 -6.958 -15.268 1.00 25.00 C ATOM 804 O GLY A 52 -4.584 -6.537 -14.128 1.00 25.00 O ATOM 0 H GLY A 52 -4.766 -6.711 -18.334 1.00 25.00 H new ATOM 0 HA2 GLY A 52 -5.475 -5.582 -16.505 1.00 25.00 H new ATOM 0 HA3 GLY A 52 -6.420 -6.964 -15.988 1.00 25.00 H new ATOM 808 N ARG A 53 -3.331 -7.655 -15.613 1.00 25.00 N ATOM 809 CA ARG A 53 -2.267 -7.941 -14.651 1.00 25.00 C ATOM 810 C ARG A 53 -0.921 -7.648 -15.272 1.00 25.00 C ATOM 811 O ARG A 53 -0.792 -7.576 -16.492 1.00 25.00 O ATOM 812 CB ARG A 53 -2.315 -9.406 -14.173 1.00 25.00 C ATOM 813 CG ARG A 53 -1.974 -10.453 -15.251 1.00 25.00 C ATOM 814 CD ARG A 53 -1.501 -11.756 -14.618 1.00 25.00 C ATOM 815 NE ARG A 53 -2.576 -12.451 -13.889 1.00 25.00 N ATOM 816 CZ ARG A 53 -2.407 -13.540 -13.143 1.00 25.00 C ATOM 817 NH1 ARG A 53 -1.236 -14.104 -12.969 1.00 25.00 N ATOM 818 NH2 ARG A 53 -3.446 -14.070 -12.556 1.00 25.00 N ATOM 0 H ARG A 53 -3.169 -8.032 -16.547 1.00 25.00 H new ATOM 0 HA ARG A 53 -2.418 -7.299 -13.783 1.00 25.00 H new ATOM 0 HB2 ARG A 53 -1.621 -9.524 -13.341 1.00 25.00 H new ATOM 0 HB3 ARG A 53 -3.313 -9.615 -13.788 1.00 25.00 H new ATOM 0 HG2 ARG A 53 -2.852 -10.643 -15.869 1.00 25.00 H new ATOM 0 HG3 ARG A 53 -1.198 -10.062 -15.910 1.00 25.00 H new ATOM 0 HD2 ARG A 53 -1.110 -12.413 -15.395 1.00 25.00 H new ATOM 0 HD3 ARG A 53 -0.679 -11.546 -13.934 1.00 25.00 H new ATOM 0 HE ARG A 53 -3.519 -12.070 -13.961 1.00 25.00 H new ATOM 0 HH11 ARG A 53 -0.408 -13.708 -13.414 1.00 25.00 H new ATOM 0 HH12 ARG A 53 -1.153 -14.938 -12.388 1.00 25.00 H new ATOM 0 HH21 ARG A 53 -4.368 -13.649 -12.673 1.00 25.00 H new ATOM 0 HH22 ARG A 53 -3.336 -14.905 -11.980 1.00 25.00 H new ATOM 832 N GLN A 54 0.083 -7.524 -14.429 1.00 25.00 N ATOM 833 CA GLN A 54 1.457 -7.411 -14.879 1.00 25.00 C ATOM 834 C GLN A 54 2.063 -8.769 -14.575 1.00 25.00 C ATOM 835 O GLN A 54 1.539 -9.492 -13.727 1.00 25.00 O ATOM 836 CB GLN A 54 2.198 -6.313 -14.120 1.00 25.00 C ATOM 837 CG GLN A 54 1.565 -4.939 -14.265 1.00 25.00 C ATOM 838 CD GLN A 54 2.190 -3.918 -13.337 1.00 25.00 C ATOM 839 OE1 GLN A 54 3.398 -3.811 -13.243 1.00 25.00 O ATOM 840 NE2 GLN A 54 1.369 -3.184 -12.631 1.00 25.00 N ATOM 0 H GLN A 54 -0.028 -7.499 -13.415 1.00 25.00 H new ATOM 0 HA GLN A 54 1.523 -7.146 -15.934 1.00 25.00 H new ATOM 0 HB2 GLN A 54 2.237 -6.576 -13.063 1.00 25.00 H new ATOM 0 HB3 GLN A 54 3.228 -6.269 -14.475 1.00 25.00 H new ATOM 0 HG2 GLN A 54 1.668 -4.601 -15.296 1.00 25.00 H new ATOM 0 HG3 GLN A 54 0.497 -5.010 -14.058 1.00 25.00 H new ATOM 0 HE21 GLN A 54 0.361 -3.301 -12.736 1.00 25.00 H new ATOM 0 HE22 GLN A 54 1.737 -2.494 -11.975 1.00 25.00 H new ATOM 849 N GLY A 55 3.141 -9.119 -15.249 1.00 25.00 N ATOM 850 CA GLY A 55 3.803 -10.383 -14.989 1.00 25.00 C ATOM 851 C GLY A 55 5.064 -10.527 -15.806 1.00 25.00 C ATOM 852 O GLY A 55 5.259 -9.809 -16.797 1.00 25.00 O ATOM 0 H GLY A 55 3.575 -8.550 -15.976 1.00 25.00 H new ATOM 0 HA2 GLY A 55 4.045 -10.456 -13.929 1.00 25.00 H new ATOM 0 HA3 GLY A 55 3.124 -11.204 -15.219 1.00 25.00 H new ATOM 856 N ILE A 56 5.939 -11.427 -15.388 1.00 25.00 N ATOM 857 CA ILE A 56 7.193 -11.651 -16.092 1.00 25.00 C ATOM 858 C ILE A 56 6.920 -12.510 -17.327 1.00 25.00 C ATOM 859 O ILE A 56 6.056 -13.399 -17.317 1.00 25.00 O ATOM 860 CB ILE A 56 8.288 -12.293 -15.168 1.00 25.00 C ATOM 861 CG1 ILE A 56 7.894 -13.718 -14.721 1.00 25.00 C ATOM 862 CG2 ILE A 56 8.525 -11.384 -13.932 1.00 25.00 C ATOM 863 CD1 ILE A 56 9.002 -14.484 -13.982 1.00 25.00 C ATOM 0 H ILE A 56 5.805 -12.015 -14.565 1.00 25.00 H new ATOM 0 HA ILE A 56 7.597 -10.688 -16.404 1.00 25.00 H new ATOM 0 HB ILE A 56 9.211 -12.376 -15.742 1.00 25.00 H new ATOM 0 HG12 ILE A 56 7.020 -13.653 -14.072 1.00 25.00 H new ATOM 0 HG13 ILE A 56 7.597 -14.291 -15.599 1.00 25.00 H new ATOM 0 HG21 ILE A 56 9.285 -11.831 -13.292 1.00 25.00 H new ATOM 0 HG22 ILE A 56 8.861 -10.401 -14.262 1.00 25.00 H new ATOM 0 HG23 ILE A 56 7.595 -11.280 -13.373 1.00 25.00 H new ATOM 0 HD11 ILE A 56 8.638 -15.474 -13.706 1.00 25.00 H new ATOM 0 HD12 ILE A 56 9.870 -14.585 -14.633 1.00 25.00 H new ATOM 0 HD13 ILE A 56 9.285 -13.937 -13.082 1.00 25.00 H new ATOM 875 N VAL A 57 7.616 -12.190 -18.404 1.00 25.00 N ATOM 876 CA VAL A 57 7.457 -12.877 -19.679 1.00 25.00 C ATOM 877 C VAL A 57 8.841 -13.050 -20.299 1.00 25.00 C ATOM 878 O VAL A 57 9.623 -12.095 -20.343 1.00 25.00 O ATOM 879 CB VAL A 57 6.592 -12.018 -20.658 1.00 25.00 C ATOM 880 CG1 VAL A 57 6.535 -12.648 -22.042 1.00 25.00 C ATOM 881 CG2 VAL A 57 5.172 -11.838 -20.110 1.00 25.00 C ATOM 0 H VAL A 57 8.311 -11.444 -18.421 1.00 25.00 H new ATOM 0 HA VAL A 57 6.968 -13.837 -19.513 1.00 25.00 H new ATOM 0 HB VAL A 57 7.067 -11.040 -20.744 1.00 25.00 H new ATOM 0 HG11 VAL A 57 5.926 -12.027 -22.700 1.00 25.00 H new ATOM 0 HG12 VAL A 57 7.544 -12.726 -22.448 1.00 25.00 H new ATOM 0 HG13 VAL A 57 6.094 -13.642 -21.971 1.00 25.00 H new ATOM 0 HG21 VAL A 57 4.587 -11.237 -20.806 1.00 25.00 H new ATOM 0 HG22 VAL A 57 4.702 -12.814 -19.989 1.00 25.00 H new ATOM 0 HG23 VAL A 57 5.216 -11.334 -19.144 1.00 25.00 H new ATOM 891 N PRO A 58 9.169 -14.252 -20.812 1.00 25.00 N ATOM 892 CA PRO A 58 10.470 -14.301 -21.491 1.00 25.00 C ATOM 893 C PRO A 58 10.425 -13.517 -22.811 1.00 25.00 C ATOM 894 O PRO A 58 9.678 -13.845 -23.736 1.00 25.00 O ATOM 895 CB PRO A 58 10.688 -15.798 -21.706 1.00 25.00 C ATOM 896 CG PRO A 58 9.312 -16.360 -21.809 1.00 25.00 C ATOM 897 CD PRO A 58 8.469 -15.551 -20.870 1.00 25.00 C ATOM 0 HA PRO A 58 11.282 -13.843 -20.926 1.00 25.00 H new ATOM 0 HB2 PRO A 58 11.265 -15.990 -22.611 1.00 25.00 H new ATOM 0 HB3 PRO A 58 11.238 -16.243 -20.877 1.00 25.00 H new ATOM 0 HG2 PRO A 58 8.937 -16.291 -22.830 1.00 25.00 H new ATOM 0 HG3 PRO A 58 9.299 -17.415 -21.536 1.00 25.00 H new ATOM 0 HD2 PRO A 58 7.449 -15.441 -21.239 1.00 25.00 H new ATOM 0 HD3 PRO A 58 8.404 -16.016 -19.886 1.00 25.00 H new ATOM 905 N GLY A 59 11.226 -12.466 -22.891 1.00 25.00 N ATOM 906 CA GLY A 59 11.231 -11.575 -24.040 1.00 25.00 C ATOM 907 C GLY A 59 11.737 -12.222 -25.303 1.00 25.00 C ATOM 908 O GLY A 59 11.418 -11.783 -26.396 1.00 25.00 O ATOM 0 H GLY A 59 11.890 -12.207 -22.162 1.00 25.00 H new ATOM 0 HA2 GLY A 59 10.218 -11.209 -24.210 1.00 25.00 H new ATOM 0 HA3 GLY A 59 11.850 -10.707 -23.813 1.00 25.00 H new ATOM 912 N ASN A 60 12.466 -13.321 -25.167 1.00 25.00 N ATOM 913 CA ASN A 60 12.943 -14.069 -26.333 1.00 25.00 C ATOM 914 C ASN A 60 11.803 -14.834 -27.025 1.00 25.00 C ATOM 915 O ASN A 60 11.999 -15.455 -28.065 1.00 25.00 O ATOM 916 CB ASN A 60 14.050 -15.041 -25.921 1.00 25.00 C ATOM 917 CG ASN A 60 14.838 -15.551 -27.108 1.00 25.00 C ATOM 918 OD1 ASN A 60 15.218 -14.794 -27.983 1.00 25.00 O ATOM 919 ND2 ASN A 60 15.094 -16.832 -27.134 1.00 25.00 N ATOM 0 H ASN A 60 12.741 -13.717 -24.268 1.00 25.00 H new ATOM 0 HA ASN A 60 13.341 -13.347 -27.046 1.00 25.00 H new ATOM 0 HB2 ASN A 60 14.726 -14.544 -25.225 1.00 25.00 H new ATOM 0 HB3 ASN A 60 13.610 -15.885 -25.390 1.00 25.00 H new ATOM 0 HD21 ASN A 60 15.629 -17.230 -27.906 1.00 25.00 H new ATOM 0 HD22 ASN A 60 14.759 -17.434 -26.382 1.00 25.00 H new ATOM 926 N ARG A 61 10.606 -14.770 -26.455 1.00 25.00 N ATOM 927 CA ARG A 61 9.418 -15.367 -27.073 1.00 25.00 C ATOM 928 C ARG A 61 8.510 -14.257 -27.580 1.00 25.00 C ATOM 929 O ARG A 61 7.371 -14.510 -27.990 1.00 25.00 O ATOM 930 CB ARG A 61 8.651 -16.238 -26.074 1.00 25.00 C ATOM 931 CG ARG A 61 9.424 -17.448 -25.575 1.00 25.00 C ATOM 932 CD ARG A 61 8.468 -18.376 -24.834 1.00 25.00 C ATOM 933 NE ARG A 61 9.156 -19.410 -24.041 1.00 25.00 N ATOM 934 CZ ARG A 61 8.563 -20.193 -23.140 1.00 25.00 C ATOM 935 NH1 ARG A 61 7.279 -20.116 -22.899 1.00 25.00 N ATOM 936 NH2 ARG A 61 9.270 -21.056 -22.466 1.00 25.00 N ATOM 0 H ARG A 61 10.427 -14.310 -25.562 1.00 25.00 H new ATOM 0 HA ARG A 61 9.739 -16.001 -27.899 1.00 25.00 H new ATOM 0 HB2 ARG A 61 8.367 -15.625 -25.219 1.00 25.00 H new ATOM 0 HB3 ARG A 61 7.728 -16.579 -26.542 1.00 25.00 H new ATOM 0 HG2 ARG A 61 9.884 -17.972 -26.412 1.00 25.00 H new ATOM 0 HG3 ARG A 61 10.231 -17.133 -24.914 1.00 25.00 H new ATOM 0 HD2 ARG A 61 7.836 -17.783 -24.174 1.00 25.00 H new ATOM 0 HD3 ARG A 61 7.810 -18.860 -25.556 1.00 25.00 H new ATOM 0 HE ARG A 61 10.157 -19.535 -24.192 1.00 25.00 H new ATOM 0 HH11 ARG A 61 6.704 -19.443 -23.407 1.00 25.00 H new ATOM 0 HH12 ARG A 61 6.853 -20.729 -22.203 1.00 25.00 H new ATOM 0 HH21 ARG A 61 10.274 -21.131 -22.629 1.00 25.00 H new ATOM 0 HH22 ARG A 61 8.819 -21.657 -21.776 1.00 25.00 H new ATOM 950 N LEU A 62 9.012 -13.031 -27.550 1.00 25.00 N ATOM 951 CA LEU A 62 8.266 -11.859 -27.987 1.00 25.00 C ATOM 952 C LEU A 62 9.028 -11.176 -29.113 1.00 25.00 C ATOM 953 O LEU A 62 10.246 -11.267 -29.194 1.00 25.00 O ATOM 954 CB LEU A 62 8.115 -10.855 -26.833 1.00 25.00 C ATOM 955 CG LEU A 62 7.447 -11.297 -25.520 1.00 25.00 C ATOM 956 CD1 LEU A 62 7.377 -10.091 -24.568 1.00 25.00 C ATOM 957 CD2 LEU A 62 6.053 -11.849 -25.770 1.00 25.00 C ATOM 0 H LEU A 62 9.954 -12.820 -27.220 1.00 25.00 H new ATOM 0 HA LEU A 62 7.280 -12.180 -28.322 1.00 25.00 H new ATOM 0 HB2 LEU A 62 9.112 -10.492 -26.585 1.00 25.00 H new ATOM 0 HB3 LEU A 62 7.552 -10.003 -27.214 1.00 25.00 H new ATOM 0 HG LEU A 62 8.041 -12.093 -25.071 1.00 25.00 H new ATOM 0 HD11 LEU A 62 6.905 -10.392 -23.633 1.00 25.00 H new ATOM 0 HD12 LEU A 62 8.385 -9.729 -24.365 1.00 25.00 H new ATOM 0 HD13 LEU A 62 6.792 -9.296 -25.030 1.00 25.00 H new ATOM 0 HD21 LEU A 62 5.607 -12.153 -24.823 1.00 25.00 H new ATOM 0 HD22 LEU A 62 5.435 -11.080 -26.232 1.00 25.00 H new ATOM 0 HD23 LEU A 62 6.117 -12.711 -26.434 1.00 25.00 H new ATOM 969 N LYS A 63 8.315 -10.439 -29.948 1.00 25.00 N ATOM 970 CA LYS A 63 8.941 -9.621 -30.986 1.00 25.00 C ATOM 971 C LYS A 63 8.445 -8.196 -30.850 1.00 25.00 C ATOM 972 O LYS A 63 7.246 -7.956 -30.935 1.00 25.00 O ATOM 973 CB LYS A 63 8.601 -10.165 -32.371 1.00 25.00 C ATOM 974 CG LYS A 63 9.331 -9.435 -33.488 1.00 25.00 C ATOM 975 CD LYS A 63 8.927 -9.959 -34.855 1.00 25.00 C ATOM 976 CE LYS A 63 9.756 -9.297 -35.955 1.00 25.00 C ATOM 977 NZ LYS A 63 9.583 -7.797 -35.970 1.00 25.00 N ATOM 0 H LYS A 63 7.296 -10.387 -29.931 1.00 25.00 H new ATOM 0 HA LYS A 63 10.024 -9.648 -30.867 1.00 25.00 H new ATOM 0 HB2 LYS A 63 8.852 -11.225 -32.411 1.00 25.00 H new ATOM 0 HB3 LYS A 63 7.526 -10.086 -32.533 1.00 25.00 H new ATOM 0 HG2 LYS A 63 9.115 -8.368 -33.428 1.00 25.00 H new ATOM 0 HG3 LYS A 63 10.407 -9.550 -33.357 1.00 25.00 H new ATOM 0 HD2 LYS A 63 9.064 -11.040 -34.890 1.00 25.00 H new ATOM 0 HD3 LYS A 63 7.868 -9.766 -35.025 1.00 25.00 H new ATOM 0 HE2 LYS A 63 10.809 -9.539 -35.810 1.00 25.00 H new ATOM 0 HE3 LYS A 63 9.465 -9.705 -36.923 1.00 25.00 H new ATOM 0 HZ1 LYS A 63 10.052 -7.402 -36.810 1.00 25.00 H new ATOM 0 HZ2 LYS A 63 8.570 -7.565 -35.997 1.00 25.00 H new ATOM 0 HZ3 LYS A 63 10.008 -7.390 -35.113 1.00 25.00 H new ATOM 991 N ILE A 64 9.359 -7.258 -30.639 1.00 25.00 N ATOM 992 CA ILE A 64 9.003 -5.840 -30.512 1.00 25.00 C ATOM 993 C ILE A 64 8.294 -5.408 -31.791 1.00 25.00 C ATOM 994 O ILE A 64 8.772 -5.668 -32.907 1.00 25.00 O ATOM 995 CB ILE A 64 10.273 -4.946 -30.283 1.00 25.00 C ATOM 996 CG1 ILE A 64 10.966 -5.306 -28.944 1.00 25.00 C ATOM 997 CG2 ILE A 64 9.913 -3.436 -30.324 1.00 25.00 C ATOM 998 CD1 ILE A 64 10.177 -4.913 -27.658 1.00 25.00 C ATOM 0 H ILE A 64 10.357 -7.449 -30.551 1.00 25.00 H new ATOM 0 HA ILE A 64 8.352 -5.714 -29.647 1.00 25.00 H new ATOM 0 HB ILE A 64 10.971 -5.147 -31.096 1.00 25.00 H new ATOM 0 HG12 ILE A 64 11.147 -6.381 -28.925 1.00 25.00 H new ATOM 0 HG13 ILE A 64 11.940 -4.818 -28.916 1.00 25.00 H new ATOM 0 HG21 ILE A 64 10.813 -2.843 -30.162 1.00 25.00 H new ATOM 0 HG22 ILE A 64 9.486 -3.190 -31.296 1.00 25.00 H new ATOM 0 HG23 ILE A 64 9.187 -3.214 -29.542 1.00 25.00 H new ATOM 0 HD11 ILE A 64 10.747 -5.208 -26.777 1.00 25.00 H new ATOM 0 HD12 ILE A 64 10.019 -3.835 -27.644 1.00 25.00 H new ATOM 0 HD13 ILE A 64 9.213 -5.421 -27.653 1.00 25.00 H new