USER MOD reduce.3.24.130724 H: found=0, std=0, add=792, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 793 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 88 THR OG1 : rot -179:sc= -2.57! USER MOD Set 1.2: A 90 GLN :FLIP amide:sc= -2.22! C(o=-5.6!,f=-4.8!) USER MOD Set 2.1: A 47 MET CE :methyl -116:sc= -1.49 (180deg=-2.89) USER MOD Set 2.2: A 52 HIS : no HE2:sc= -15.8! C(o=-20!,f=-35!) USER MOD Set 2.3: A 79 THR OG1 : rot 119:sc= -2.5! USER MOD Set 3.1: A 15 GLN : amide:sc= -0.353 K(o=-0.044,f=-3.8!) USER MOD Set 3.2: A 18 SER OG : rot -156:sc= 0.308 USER MOD Set 4.1: A 8 LYS NZ :NH3+ 155:sc= 0.699 (180deg=0) USER MOD Set 4.2: A 33 GLN : amide:sc= -2.84! C(o=-2.1!,f=-11!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.0082 K(o=-0.0082,f=-1.4) USER MOD Single : A 28 GLN : amide:sc= -0.416 K(o=-0.42,f=-2.4!) USER MOD Single : A 32 LYS NZ :NH3+ -141:sc= -0.0377 (180deg=-1.29) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.34 K(o=-0.34,f=-0.97) USER MOD Single : A 44 MET CE :methyl -131:sc= -4.29! (180deg=-7.54!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.712 K(o=-0.71,f=-4.1!) USER MOD Single : A 50 ASN : amide:sc= -5.06! C(o=-5.1!,f=-8.9!) USER MOD Single : A 53 HIS :FLIP no HD1:sc= -1.09 F(o=-1.7,f=-1.1) USER MOD Single : A 57 SER OG : rot 180:sc= -0.493 USER MOD Single : A 60 ASN : amide:sc= -1.64! C(o=-1.6!,f=-1.6!) USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 MET CE :methyl -176:sc= -3.04! (180deg=-3.15!) USER MOD Single : A 71 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 76 ASN : amide:sc= -0.263 K(o=-0.26,f=-2.6!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 142:sc= 0.654 (180deg=0.0933) USER MOD Single : A 97 GLN : amide:sc=-0.00684 X(o=-0.0068,f=-0.038) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= -3.31! C(o=-3.3!,f=-4.2!) USER MOD Single : A 106 ASN : amide:sc= -0.346 K(o=-0.35,f=-3.2!) USER MOD ----------------------------------------------------------------- ATOM 73 N LYS A 6 5.527 12.545 7.796 1.00 0.00 N ATOM 74 CA LYS A 6 6.214 11.606 6.925 1.00 0.00 C ATOM 75 C LYS A 6 5.429 10.293 6.877 1.00 0.00 C ATOM 76 O LYS A 6 5.989 9.242 6.575 1.00 0.00 O ATOM 77 CB LYS A 6 7.670 11.436 7.362 1.00 0.00 C ATOM 78 CG LYS A 6 7.782 10.446 8.524 1.00 0.00 C ATOM 79 CD LYS A 6 9.246 10.176 8.874 1.00 0.00 C ATOM 80 CE LYS A 6 9.691 8.807 8.356 1.00 0.00 C ATOM 81 NZ LYS A 6 9.791 7.839 9.472 1.00 0.00 N ATOM 0 HA LYS A 6 6.254 11.991 5.906 1.00 0.00 H new ATOM 0 HB2 LYS A 6 8.267 11.084 6.521 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.079 12.401 7.661 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.263 10.843 9.396 1.00 0.00 H new ATOM 0 HG3 LYS A 6 7.289 9.511 8.259 1.00 0.00 H new ATOM 0 HD2 LYS A 6 9.876 10.954 8.443 1.00 0.00 H new ATOM 0 HD3 LYS A 6 9.379 10.221 9.955 1.00 0.00 H new ATOM 0 HE2 LYS A 6 8.980 8.444 7.614 1.00 0.00 H new ATOM 0 HE3 LYS A 6 10.656 8.896 7.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 10.094 6.915 9.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 10.486 8.180 10.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 8.863 7.741 9.931 1.00 0.00 H new ATOM 95 N ILE A 7 4.144 10.397 7.181 1.00 0.00 N ATOM 96 CA ILE A 7 3.277 9.232 7.178 1.00 0.00 C ATOM 97 C ILE A 7 2.081 9.494 6.259 1.00 0.00 C ATOM 98 O ILE A 7 1.071 10.047 6.690 1.00 0.00 O ATOM 99 CB ILE A 7 2.882 8.853 8.606 1.00 0.00 C ATOM 100 CG1 ILE A 7 1.963 7.630 8.615 1.00 0.00 C ATOM 101 CG2 ILE A 7 2.257 10.044 9.337 1.00 0.00 C ATOM 102 CD1 ILE A 7 2.772 6.336 8.502 1.00 0.00 C ATOM 0 H ILE A 7 3.682 11.271 7.431 1.00 0.00 H new ATOM 0 HA ILE A 7 3.805 8.366 6.778 1.00 0.00 H new ATOM 0 HB ILE A 7 3.787 8.580 9.149 1.00 0.00 H new ATOM 0 HG12 ILE A 7 1.377 7.618 9.534 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.257 7.695 7.787 1.00 0.00 H new ATOM 0 HG21 ILE A 7 1.985 9.747 10.350 1.00 0.00 H new ATOM 0 HG22 ILE A 7 2.975 10.863 9.379 1.00 0.00 H new ATOM 0 HG23 ILE A 7 1.365 10.371 8.803 1.00 0.00 H new ATOM 0 HD11 ILE A 7 2.095 5.482 8.511 1.00 0.00 H new ATOM 0 HD12 ILE A 7 3.338 6.341 7.571 1.00 0.00 H new ATOM 0 HD13 ILE A 7 3.460 6.262 9.344 1.00 0.00 H new ATOM 114 N LYS A 8 2.236 9.084 5.008 1.00 0.00 N ATOM 115 CA LYS A 8 1.182 9.267 4.024 1.00 0.00 C ATOM 116 C LYS A 8 0.796 7.908 3.439 1.00 0.00 C ATOM 117 O LYS A 8 1.658 7.062 3.203 1.00 0.00 O ATOM 118 CB LYS A 8 1.605 10.294 2.971 1.00 0.00 C ATOM 119 CG LYS A 8 0.696 11.524 3.009 1.00 0.00 C ATOM 120 CD LYS A 8 1.444 12.772 2.537 1.00 0.00 C ATOM 121 CE LYS A 8 0.619 13.548 1.508 1.00 0.00 C ATOM 122 NZ LYS A 8 0.775 15.006 1.710 1.00 0.00 N ATOM 0 H LYS A 8 3.076 8.626 4.653 1.00 0.00 H new ATOM 0 HA LYS A 8 0.288 9.677 4.494 1.00 0.00 H new ATOM 0 HB2 LYS A 8 2.638 10.595 3.146 1.00 0.00 H new ATOM 0 HB3 LYS A 8 1.568 9.841 1.980 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -0.175 11.357 2.376 1.00 0.00 H new ATOM 0 HG3 LYS A 8 0.328 11.678 4.023 1.00 0.00 H new ATOM 0 HD2 LYS A 8 1.664 13.413 3.391 1.00 0.00 H new ATOM 0 HD3 LYS A 8 2.400 12.484 2.100 1.00 0.00 H new ATOM 0 HE2 LYS A 8 0.937 13.279 0.501 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.432 13.274 1.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 0.589 15.502 0.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 0.101 15.330 2.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 1.745 15.211 2.024 1.00 0.00 H new ATOM 136 N VAL A 9 -0.500 7.740 3.220 1.00 0.00 N ATOM 137 CA VAL A 9 -1.010 6.498 2.665 1.00 0.00 C ATOM 138 C VAL A 9 -1.347 6.705 1.187 1.00 0.00 C ATOM 139 O VAL A 9 -2.056 7.646 0.833 1.00 0.00 O ATOM 140 CB VAL A 9 -2.205 6.010 3.487 1.00 0.00 C ATOM 141 CG1 VAL A 9 -2.528 4.549 3.171 1.00 0.00 C ATOM 142 CG2 VAL A 9 -1.957 6.206 4.984 1.00 0.00 C ATOM 0 H VAL A 9 -1.212 8.443 3.417 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.253 5.716 2.720 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.071 6.611 3.209 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.381 4.227 3.769 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.769 4.450 2.112 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.665 3.926 3.406 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.821 5.851 5.545 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.073 5.642 5.283 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.799 7.264 5.191 1.00 0.00 H new ATOM 152 N LEU A 10 -0.823 5.809 0.363 1.00 0.00 N ATOM 153 CA LEU A 10 -1.058 5.881 -1.069 1.00 0.00 C ATOM 154 C LEU A 10 -1.963 4.722 -1.491 1.00 0.00 C ATOM 155 O LEU A 10 -1.591 3.557 -1.355 1.00 0.00 O ATOM 156 CB LEU A 10 0.269 5.934 -1.829 1.00 0.00 C ATOM 157 CG LEU A 10 0.244 5.398 -3.261 1.00 0.00 C ATOM 158 CD1 LEU A 10 0.833 3.988 -3.330 1.00 0.00 C ATOM 159 CD2 LEU A 10 -1.170 5.458 -3.844 1.00 0.00 C ATOM 0 H LEU A 10 -0.236 5.029 0.660 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.580 6.803 -1.323 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.608 6.969 -1.856 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.011 5.370 -1.264 1.00 0.00 H new ATOM 0 HG LEU A 10 0.874 6.040 -3.877 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.803 3.631 -4.359 1.00 0.00 H new ATOM 0 HD12 LEU A 10 1.866 4.008 -2.983 1.00 0.00 H new ATOM 0 HD13 LEU A 10 0.250 3.319 -2.697 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.160 5.071 -4.863 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.841 4.854 -3.233 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.517 6.491 -3.852 1.00 0.00 H new ATOM 171 N ILE A 11 -3.133 5.082 -1.997 1.00 0.00 N ATOM 172 CA ILE A 11 -4.094 4.085 -2.441 1.00 0.00 C ATOM 173 C ILE A 11 -4.667 4.504 -3.796 1.00 0.00 C ATOM 174 O ILE A 11 -5.418 5.474 -3.884 1.00 0.00 O ATOM 175 CB ILE A 11 -5.160 3.854 -1.368 1.00 0.00 C ATOM 176 CG1 ILE A 11 -6.209 4.969 -1.388 1.00 0.00 C ATOM 177 CG2 ILE A 11 -4.522 3.694 0.014 1.00 0.00 C ATOM 178 CD1 ILE A 11 -7.325 4.651 -2.385 1.00 0.00 C ATOM 0 H ILE A 11 -3.438 6.049 -2.110 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.605 3.122 -2.585 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.676 2.921 -1.595 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -6.631 5.094 -0.391 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.736 5.914 -1.655 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -5.302 3.531 0.758 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -3.845 2.840 0.005 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -3.965 4.597 0.264 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -8.058 5.458 -2.381 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.902 4.550 -3.385 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.811 3.718 -2.101 1.00 0.00 H new ATOM 190 N VAL A 12 -4.291 3.751 -4.820 1.00 0.00 N ATOM 191 CA VAL A 12 -4.757 4.031 -6.167 1.00 0.00 C ATOM 192 C VAL A 12 -5.223 2.729 -6.822 1.00 0.00 C ATOM 193 O VAL A 12 -4.508 1.728 -6.798 1.00 0.00 O ATOM 194 CB VAL A 12 -3.662 4.742 -6.963 1.00 0.00 C ATOM 195 CG1 VAL A 12 -2.431 3.848 -7.120 1.00 0.00 C ATOM 196 CG2 VAL A 12 -4.185 5.203 -8.325 1.00 0.00 C ATOM 0 H VAL A 12 -3.668 2.947 -4.743 1.00 0.00 H new ATOM 0 HA VAL A 12 -5.612 4.707 -6.142 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.362 5.628 -6.404 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.667 4.377 -7.690 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.038 3.594 -6.136 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.709 2.935 -7.647 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.386 5.706 -8.870 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.526 4.339 -8.895 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.016 5.893 -8.181 1.00 0.00 H new ATOM 206 N ASP A 13 -6.417 2.785 -7.392 1.00 0.00 N ATOM 207 CA ASP A 13 -6.987 1.623 -8.052 1.00 0.00 C ATOM 208 C ASP A 13 -7.673 2.062 -9.347 1.00 0.00 C ATOM 209 O ASP A 13 -8.264 3.139 -9.406 1.00 0.00 O ATOM 210 CB ASP A 13 -8.035 0.945 -7.168 1.00 0.00 C ATOM 211 CG ASP A 13 -7.530 0.489 -5.798 1.00 0.00 C ATOM 212 OD1 ASP A 13 -7.251 1.382 -4.970 1.00 0.00 O ATOM 213 OD2 ASP A 13 -7.433 -0.743 -5.610 1.00 0.00 O ATOM 0 H ASP A 13 -7.006 3.618 -7.411 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.178 0.921 -8.255 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -8.865 1.636 -7.021 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -8.431 0.079 -7.699 1.00 0.00 H new ATOM 218 N ASP A 14 -7.571 1.206 -10.353 1.00 0.00 N ATOM 219 CA ASP A 14 -8.174 1.492 -11.644 1.00 0.00 C ATOM 220 C ASP A 14 -9.671 1.749 -11.457 1.00 0.00 C ATOM 221 O ASP A 14 -10.256 2.570 -12.161 1.00 0.00 O ATOM 222 CB ASP A 14 -8.013 0.310 -12.602 1.00 0.00 C ATOM 223 CG ASP A 14 -7.863 0.689 -14.076 1.00 0.00 C ATOM 224 OD1 ASP A 14 -8.912 0.944 -14.706 1.00 0.00 O ATOM 225 OD2 ASP A 14 -6.703 0.716 -14.541 1.00 0.00 O ATOM 0 H ASP A 14 -7.080 0.314 -10.300 1.00 0.00 H new ATOM 0 HA ASP A 14 -7.675 2.366 -12.063 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -7.139 -0.267 -12.300 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -8.878 -0.344 -12.497 1.00 0.00 H new ATOM 230 N GLN A 15 -10.246 1.031 -10.503 1.00 0.00 N ATOM 231 CA GLN A 15 -11.664 1.171 -10.214 1.00 0.00 C ATOM 232 C GLN A 15 -11.867 1.979 -8.931 1.00 0.00 C ATOM 233 O GLN A 15 -11.110 1.831 -7.974 1.00 0.00 O ATOM 234 CB GLN A 15 -12.340 -0.198 -10.113 1.00 0.00 C ATOM 235 CG GLN A 15 -13.650 -0.223 -10.904 1.00 0.00 C ATOM 236 CD GLN A 15 -14.724 -1.022 -10.161 1.00 0.00 C ATOM 237 OE1 GLN A 15 -14.490 -1.596 -9.110 1.00 0.00 O ATOM 238 NE2 GLN A 15 -15.908 -1.025 -10.765 1.00 0.00 N ATOM 0 H GLN A 15 -9.757 0.351 -9.921 1.00 0.00 H new ATOM 0 HA GLN A 15 -12.132 1.711 -11.037 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -11.668 -0.968 -10.491 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -12.538 -0.433 -9.067 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -13.999 0.796 -11.069 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -13.478 -0.664 -11.886 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -16.033 -0.523 -11.644 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -16.691 -1.530 -10.350 1.00 0.00 H new ATOM 247 N VAL A 16 -12.894 2.816 -8.954 1.00 0.00 N ATOM 248 CA VAL A 16 -13.206 3.648 -7.805 1.00 0.00 C ATOM 249 C VAL A 16 -13.739 2.768 -6.672 1.00 0.00 C ATOM 250 O VAL A 16 -13.390 2.967 -5.510 1.00 0.00 O ATOM 251 CB VAL A 16 -14.182 4.755 -8.209 1.00 0.00 C ATOM 252 CG1 VAL A 16 -14.997 5.235 -7.007 1.00 0.00 C ATOM 253 CG2 VAL A 16 -13.443 5.921 -8.872 1.00 0.00 C ATOM 0 H VAL A 16 -13.520 2.936 -9.750 1.00 0.00 H new ATOM 0 HA VAL A 16 -12.307 4.143 -7.438 1.00 0.00 H new ATOM 0 HB VAL A 16 -14.877 4.339 -8.939 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -15.682 6.022 -7.323 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -15.566 4.401 -6.597 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -14.324 5.625 -6.243 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -14.159 6.695 -9.150 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -12.715 6.334 -8.174 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -12.929 5.565 -9.765 1.00 0.00 H new ATOM 263 N THR A 17 -14.576 1.814 -7.052 1.00 0.00 N ATOM 264 CA THR A 17 -15.161 0.902 -6.083 1.00 0.00 C ATOM 265 C THR A 17 -14.061 0.181 -5.298 1.00 0.00 C ATOM 266 O THR A 17 -14.212 -0.076 -4.106 1.00 0.00 O ATOM 267 CB THR A 17 -16.095 -0.050 -6.832 1.00 0.00 C ATOM 268 OG1 THR A 17 -17.394 0.299 -6.363 1.00 0.00 O ATOM 269 CG2 THR A 17 -15.920 -1.506 -6.398 1.00 0.00 C ATOM 0 H THR A 17 -14.863 1.653 -8.017 1.00 0.00 H new ATOM 0 HA THR A 17 -15.750 1.440 -5.340 1.00 0.00 H new ATOM 0 HB THR A 17 -15.913 0.032 -7.904 1.00 0.00 H new ATOM 0 HG1 THR A 17 -18.063 -0.269 -6.799 1.00 0.00 H new ATOM 0 HG21 THR A 17 -16.607 -2.138 -6.961 1.00 0.00 H new ATOM 0 HG22 THR A 17 -14.895 -1.822 -6.590 1.00 0.00 H new ATOM 0 HG23 THR A 17 -16.134 -1.596 -5.333 1.00 0.00 H new ATOM 277 N SER A 18 -12.980 -0.124 -6.002 1.00 0.00 N ATOM 278 CA SER A 18 -11.857 -0.811 -5.387 1.00 0.00 C ATOM 279 C SER A 18 -11.112 0.142 -4.448 1.00 0.00 C ATOM 280 O SER A 18 -10.969 -0.139 -3.260 1.00 0.00 O ATOM 281 CB SER A 18 -10.903 -1.366 -6.446 1.00 0.00 C ATOM 282 OG SER A 18 -11.601 -1.853 -7.589 1.00 0.00 O ATOM 0 H SER A 18 -12.858 0.092 -6.991 1.00 0.00 H new ATOM 0 HA SER A 18 -12.244 -1.651 -4.811 1.00 0.00 H new ATOM 0 HB2 SER A 18 -10.207 -0.585 -6.752 1.00 0.00 H new ATOM 0 HB3 SER A 18 -10.309 -2.171 -6.013 1.00 0.00 H new ATOM 0 HG SER A 18 -11.047 -2.514 -8.054 1.00 0.00 H new ATOM 288 N ARG A 19 -10.659 1.248 -5.018 1.00 0.00 N ATOM 289 CA ARG A 19 -9.933 2.244 -4.248 1.00 0.00 C ATOM 290 C ARG A 19 -10.824 2.814 -3.143 1.00 0.00 C ATOM 291 O ARG A 19 -10.334 3.207 -2.085 1.00 0.00 O ATOM 292 CB ARG A 19 -9.448 3.387 -5.142 1.00 0.00 C ATOM 293 CG ARG A 19 -10.620 4.045 -5.873 1.00 0.00 C ATOM 294 CD ARG A 19 -11.311 5.079 -4.982 1.00 0.00 C ATOM 295 NE ARG A 19 -11.336 6.395 -5.658 1.00 0.00 N ATOM 296 CZ ARG A 19 -10.324 7.272 -5.634 1.00 0.00 C ATOM 297 NH1 ARG A 19 -9.200 6.979 -4.967 1.00 0.00 N ATOM 298 NH2 ARG A 19 -10.435 8.442 -6.277 1.00 0.00 N ATOM 0 H ARG A 19 -10.780 1.477 -6.005 1.00 0.00 H new ATOM 0 HA ARG A 19 -9.067 1.752 -3.805 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -8.928 4.130 -4.538 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -8.729 3.006 -5.868 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -10.262 4.526 -6.783 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -11.338 3.283 -6.176 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -12.328 4.757 -4.758 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -10.786 5.160 -4.030 1.00 0.00 H new ATOM 0 HE ARG A 19 -12.177 6.650 -6.175 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -9.115 6.088 -4.478 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -8.429 7.647 -4.949 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -11.291 8.665 -6.785 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -9.664 9.109 -6.258 1.00 0.00 H new ATOM 312 N LEU A 20 -12.119 2.839 -3.425 1.00 0.00 N ATOM 313 CA LEU A 20 -13.084 3.355 -2.468 1.00 0.00 C ATOM 314 C LEU A 20 -13.221 2.368 -1.307 1.00 0.00 C ATOM 315 O LEU A 20 -13.251 2.771 -0.145 1.00 0.00 O ATOM 316 CB LEU A 20 -14.408 3.674 -3.162 1.00 0.00 C ATOM 317 CG LEU A 20 -15.595 3.970 -2.242 1.00 0.00 C ATOM 318 CD1 LEU A 20 -16.477 5.076 -2.821 1.00 0.00 C ATOM 319 CD2 LEU A 20 -16.391 2.697 -1.947 1.00 0.00 C ATOM 0 H LEU A 20 -12.522 2.510 -4.302 1.00 0.00 H new ATOM 0 HA LEU A 20 -12.736 4.298 -2.047 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -14.256 4.535 -3.813 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -14.672 2.832 -3.802 1.00 0.00 H new ATOM 0 HG LEU A 20 -15.206 4.335 -1.291 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -17.312 5.266 -2.147 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -15.890 5.987 -2.936 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -16.859 4.765 -3.793 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -17.229 2.935 -1.291 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -16.768 2.279 -2.880 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -15.744 1.968 -1.459 1.00 0.00 H new ATOM 331 N LEU A 21 -13.298 1.094 -1.661 1.00 0.00 N ATOM 332 CA LEU A 21 -13.431 0.046 -0.663 1.00 0.00 C ATOM 333 C LEU A 21 -12.184 0.031 0.224 1.00 0.00 C ATOM 334 O LEU A 21 -12.284 0.161 1.443 1.00 0.00 O ATOM 335 CB LEU A 21 -13.724 -1.298 -1.333 1.00 0.00 C ATOM 336 CG LEU A 21 -15.133 -1.469 -1.904 1.00 0.00 C ATOM 337 CD1 LEU A 21 -15.148 -2.513 -3.023 1.00 0.00 C ATOM 338 CD2 LEU A 21 -16.136 -1.802 -0.798 1.00 0.00 C ATOM 0 H LEU A 21 -13.271 0.763 -2.626 1.00 0.00 H new ATOM 0 HA LEU A 21 -14.283 0.245 -0.013 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -13.006 -1.443 -2.140 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -13.550 -2.090 -0.605 1.00 0.00 H new ATOM 0 HG LEU A 21 -15.441 -0.520 -2.344 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -16.161 -2.615 -3.412 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -14.482 -2.196 -3.825 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -14.811 -3.472 -2.630 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -17.130 -1.918 -1.231 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -15.843 -2.730 -0.308 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -16.152 -0.995 -0.066 1.00 0.00 H new ATOM 350 N LEU A 22 -11.039 -0.127 -0.423 1.00 0.00 N ATOM 351 CA LEU A 22 -9.774 -0.159 0.292 1.00 0.00 C ATOM 352 C LEU A 22 -9.603 1.143 1.077 1.00 0.00 C ATOM 353 O LEU A 22 -9.283 1.119 2.264 1.00 0.00 O ATOM 354 CB LEU A 22 -8.622 -0.454 -0.670 1.00 0.00 C ATOM 355 CG LEU A 22 -8.571 0.403 -1.937 1.00 0.00 C ATOM 356 CD1 LEU A 22 -7.589 1.566 -1.773 1.00 0.00 C ATOM 357 CD2 LEU A 22 -8.247 -0.452 -3.164 1.00 0.00 C ATOM 0 H LEU A 22 -10.960 -0.234 -1.434 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.768 -0.972 1.018 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.683 -0.327 -0.131 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.681 -1.501 -0.966 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.559 0.836 -2.097 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.572 2.159 -2.687 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.904 2.193 -0.939 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.591 1.174 -1.576 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.217 0.181 -4.051 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -7.278 -0.932 -3.027 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -9.015 -1.215 -3.289 1.00 0.00 H new ATOM 369 N GLY A 23 -9.822 2.249 0.380 1.00 0.00 N ATOM 370 CA GLY A 23 -9.696 3.559 0.996 1.00 0.00 C ATOM 371 C GLY A 23 -10.733 3.745 2.107 1.00 0.00 C ATOM 372 O GLY A 23 -10.486 4.457 3.079 1.00 0.00 O ATOM 0 H GLY A 23 -10.086 2.265 -0.605 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.693 3.677 1.406 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -9.824 4.334 0.240 1.00 0.00 H new ATOM 376 N ASP A 24 -11.871 3.091 1.925 1.00 0.00 N ATOM 377 CA ASP A 24 -12.945 3.175 2.899 1.00 0.00 C ATOM 378 C ASP A 24 -12.580 2.343 4.129 1.00 0.00 C ATOM 379 O ASP A 24 -12.721 2.804 5.261 1.00 0.00 O ATOM 380 CB ASP A 24 -14.252 2.624 2.326 1.00 0.00 C ATOM 381 CG ASP A 24 -15.441 2.644 3.291 1.00 0.00 C ATOM 382 OD1 ASP A 24 -15.390 1.868 4.270 1.00 0.00 O ATOM 383 OD2 ASP A 24 -16.373 3.434 3.028 1.00 0.00 O ATOM 0 H ASP A 24 -12.072 2.501 1.118 1.00 0.00 H new ATOM 0 HA ASP A 24 -13.080 4.224 3.162 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -14.514 3.200 1.439 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -14.084 1.597 2.001 1.00 0.00 H new ATOM 388 N ALA A 25 -12.117 1.129 3.866 1.00 0.00 N ATOM 389 CA ALA A 25 -11.729 0.228 4.937 1.00 0.00 C ATOM 390 C ALA A 25 -10.666 0.902 5.806 1.00 0.00 C ATOM 391 O ALA A 25 -10.748 0.866 7.033 1.00 0.00 O ATOM 392 CB ALA A 25 -11.242 -1.095 4.341 1.00 0.00 C ATOM 0 H ALA A 25 -12.002 0.749 2.926 1.00 0.00 H new ATOM 0 HA ALA A 25 -12.583 0.003 5.576 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.951 -1.771 5.145 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -12.044 -1.548 3.758 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.384 -0.909 3.695 1.00 0.00 H new ATOM 398 N LEU A 26 -9.692 1.500 5.137 1.00 0.00 N ATOM 399 CA LEU A 26 -8.614 2.182 5.833 1.00 0.00 C ATOM 400 C LEU A 26 -9.148 3.478 6.446 1.00 0.00 C ATOM 401 O LEU A 26 -8.600 3.975 7.430 1.00 0.00 O ATOM 402 CB LEU A 26 -7.420 2.390 4.898 1.00 0.00 C ATOM 403 CG LEU A 26 -6.313 1.337 4.981 1.00 0.00 C ATOM 404 CD1 LEU A 26 -6.783 0.000 4.403 1.00 0.00 C ATOM 405 CD2 LEU A 26 -5.032 1.833 4.307 1.00 0.00 C ATOM 0 H LEU A 26 -9.626 1.527 4.119 1.00 0.00 H new ATOM 0 HA LEU A 26 -8.243 1.569 6.655 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.788 2.422 3.872 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -6.983 3.366 5.110 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.080 1.170 6.033 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.977 -0.731 4.474 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -7.646 -0.356 4.965 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -7.061 0.133 3.357 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.262 1.065 4.380 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.233 2.047 3.257 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.688 2.741 4.803 1.00 0.00 H new ATOM 417 N GLN A 27 -10.209 3.989 5.839 1.00 0.00 N ATOM 418 CA GLN A 27 -10.823 5.218 6.314 1.00 0.00 C ATOM 419 C GLN A 27 -11.317 5.044 7.751 1.00 0.00 C ATOM 420 O GLN A 27 -11.019 5.865 8.617 1.00 0.00 O ATOM 421 CB GLN A 27 -11.964 5.653 5.392 1.00 0.00 C ATOM 422 CG GLN A 27 -13.316 5.528 6.096 1.00 0.00 C ATOM 423 CD GLN A 27 -14.438 6.109 5.233 1.00 0.00 C ATOM 424 OE1 GLN A 27 -14.312 6.271 4.031 1.00 0.00 O ATOM 425 NE2 GLN A 27 -15.540 6.412 5.912 1.00 0.00 N ATOM 0 H GLN A 27 -10.659 3.575 5.023 1.00 0.00 H new ATOM 0 HA GLN A 27 -10.069 6.005 6.302 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -11.808 6.685 5.077 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -11.961 5.040 4.490 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -13.523 4.480 6.311 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -13.281 6.049 7.053 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -15.579 6.251 6.918 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -16.346 6.805 5.427 1.00 0.00 H new ATOM 434 N GLN A 28 -12.063 3.970 7.961 1.00 0.00 N ATOM 435 CA GLN A 28 -12.601 3.677 9.279 1.00 0.00 C ATOM 436 C GLN A 28 -11.464 3.463 10.281 1.00 0.00 C ATOM 437 O GLN A 28 -11.694 3.439 11.489 1.00 0.00 O ATOM 438 CB GLN A 28 -13.530 2.463 9.235 1.00 0.00 C ATOM 439 CG GLN A 28 -14.840 2.747 9.972 1.00 0.00 C ATOM 440 CD GLN A 28 -16.047 2.436 9.085 1.00 0.00 C ATOM 441 OE1 GLN A 28 -15.941 1.799 8.049 1.00 0.00 O ATOM 442 NE2 GLN A 28 -17.197 2.919 9.546 1.00 0.00 N ATOM 0 H GLN A 28 -12.308 3.291 7.240 1.00 0.00 H new ATOM 0 HA GLN A 28 -13.192 4.532 9.607 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -13.742 2.200 8.199 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -13.033 1.604 9.687 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -14.888 2.147 10.881 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -14.869 3.793 10.279 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -17.216 3.444 10.420 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -18.060 2.765 9.025 1.00 0.00 H new ATOM 451 N LEU A 29 -10.264 3.312 9.741 1.00 0.00 N ATOM 452 CA LEU A 29 -9.092 3.101 10.573 1.00 0.00 C ATOM 453 C LEU A 29 -8.383 4.438 10.798 1.00 0.00 C ATOM 454 O LEU A 29 -7.531 4.553 11.678 1.00 0.00 O ATOM 455 CB LEU A 29 -8.192 2.023 9.965 1.00 0.00 C ATOM 456 CG LEU A 29 -6.698 2.352 9.904 1.00 0.00 C ATOM 457 CD1 LEU A 29 -6.093 2.420 11.308 1.00 0.00 C ATOM 458 CD2 LEU A 29 -5.954 1.361 9.007 1.00 0.00 C ATOM 0 H LEU A 29 -10.078 3.332 8.738 1.00 0.00 H new ATOM 0 HA LEU A 29 -9.384 2.726 11.554 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -8.319 1.106 10.540 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.540 1.816 8.953 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.584 3.339 9.456 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.031 2.655 11.236 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -6.598 3.195 11.885 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -6.219 1.458 11.805 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -4.895 1.618 8.981 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -6.073 0.352 9.402 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -6.363 1.406 7.998 1.00 0.00 H new ATOM 470 N GLY A 30 -8.761 5.416 9.988 1.00 0.00 N ATOM 471 CA GLY A 30 -8.173 6.741 10.088 1.00 0.00 C ATOM 472 C GLY A 30 -6.702 6.720 9.666 1.00 0.00 C ATOM 473 O GLY A 30 -5.886 7.458 10.215 1.00 0.00 O ATOM 0 H GLY A 30 -9.468 5.317 9.259 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -8.726 7.437 9.458 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -8.256 7.104 11.113 1.00 0.00 H new ATOM 477 N PHE A 31 -6.410 5.868 8.695 1.00 0.00 N ATOM 478 CA PHE A 31 -5.052 5.743 8.193 1.00 0.00 C ATOM 479 C PHE A 31 -4.223 6.980 8.540 1.00 0.00 C ATOM 480 O PHE A 31 -3.793 7.144 9.682 1.00 0.00 O ATOM 481 CB PHE A 31 -5.148 5.618 6.672 1.00 0.00 C ATOM 482 CG PHE A 31 -6.136 6.593 6.028 1.00 0.00 C ATOM 483 CD1 PHE A 31 -7.432 6.617 6.440 1.00 0.00 C ATOM 484 CD2 PHE A 31 -5.719 7.434 5.044 1.00 0.00 C ATOM 485 CE1 PHE A 31 -8.350 7.521 5.842 1.00 0.00 C ATOM 486 CE2 PHE A 31 -6.637 8.338 4.447 1.00 0.00 C ATOM 487 CZ PHE A 31 -7.933 8.362 4.859 1.00 0.00 C ATOM 0 H PHE A 31 -7.090 5.257 8.242 1.00 0.00 H new ATOM 0 HA PHE A 31 -4.567 4.877 8.643 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -4.160 5.781 6.241 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -5.442 4.599 6.419 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -7.763 5.949 7.221 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -4.690 7.414 4.717 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -9.379 7.540 6.168 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -6.306 9.006 3.666 1.00 0.00 H new ATOM 0 HZ PHE A 31 -8.631 9.050 4.405 1.00 0.00 H new ATOM 497 N LYS A 32 -4.022 7.820 7.536 1.00 0.00 N ATOM 498 CA LYS A 32 -3.252 9.039 7.721 1.00 0.00 C ATOM 499 C LYS A 32 -3.534 9.997 6.562 1.00 0.00 C ATOM 500 O LYS A 32 -3.922 11.143 6.780 1.00 0.00 O ATOM 501 CB LYS A 32 -1.767 8.712 7.901 1.00 0.00 C ATOM 502 CG LYS A 32 -1.106 9.686 8.877 1.00 0.00 C ATOM 503 CD LYS A 32 -1.121 9.129 10.302 1.00 0.00 C ATOM 504 CE LYS A 32 -1.038 10.258 11.332 1.00 0.00 C ATOM 505 NZ LYS A 32 0.073 10.014 12.279 1.00 0.00 N ATOM 0 H LYS A 32 -4.379 7.681 6.591 1.00 0.00 H new ATOM 0 HA LYS A 32 -3.557 9.547 8.636 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -1.658 7.692 8.269 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -1.261 8.759 6.937 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -0.078 9.875 8.567 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -1.628 10.643 8.851 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -2.032 8.552 10.462 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -0.283 8.445 10.438 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -0.889 11.211 10.825 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -1.979 10.331 11.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -0.220 10.294 13.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 0.319 9.003 12.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 0.902 10.573 11.993 1.00 0.00 H new ATOM 519 N GLN A 33 -3.329 9.491 5.354 1.00 0.00 N ATOM 520 CA GLN A 33 -3.557 10.287 4.161 1.00 0.00 C ATOM 521 C GLN A 33 -3.783 9.379 2.951 1.00 0.00 C ATOM 522 O GLN A 33 -2.950 8.525 2.648 1.00 0.00 O ATOM 523 CB GLN A 33 -2.394 11.250 3.914 1.00 0.00 C ATOM 524 CG GLN A 33 -2.799 12.692 4.229 1.00 0.00 C ATOM 525 CD GLN A 33 -2.253 13.657 3.175 1.00 0.00 C ATOM 526 OE1 GLN A 33 -1.238 14.309 3.358 1.00 0.00 O ATOM 527 NE2 GLN A 33 -2.981 13.712 2.062 1.00 0.00 N ATOM 0 H GLN A 33 -3.007 8.539 5.177 1.00 0.00 H new ATOM 0 HA GLN A 33 -4.455 10.885 4.314 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -1.543 10.964 4.532 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.072 11.178 2.875 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -3.886 12.768 4.269 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -2.424 12.972 5.213 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -3.821 13.140 1.973 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -2.699 14.327 1.298 1.00 0.00 H new ATOM 536 N ILE A 34 -4.912 9.593 2.293 1.00 0.00 N ATOM 537 CA ILE A 34 -5.257 8.803 1.123 1.00 0.00 C ATOM 538 C ILE A 34 -4.857 9.569 -0.140 1.00 0.00 C ATOM 539 O ILE A 34 -5.439 10.608 -0.450 1.00 0.00 O ATOM 540 CB ILE A 34 -6.735 8.407 1.161 1.00 0.00 C ATOM 541 CG1 ILE A 34 -7.604 9.578 1.627 1.00 0.00 C ATOM 542 CG2 ILE A 34 -6.946 7.158 2.019 1.00 0.00 C ATOM 543 CD1 ILE A 34 -8.905 9.648 0.824 1.00 0.00 C ATOM 0 H ILE A 34 -5.600 10.302 2.547 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.700 7.866 1.118 1.00 0.00 H new ATOM 0 HB ILE A 34 -7.049 8.157 0.147 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.832 9.467 2.687 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -7.053 10.512 1.516 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -8.005 6.898 2.029 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.373 6.330 1.603 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -6.611 7.355 3.037 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -9.504 10.488 1.175 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -8.674 9.783 -0.233 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -9.465 8.722 0.957 1.00 0.00 H new ATOM 555 N THR A 35 -3.869 9.026 -0.834 1.00 0.00 N ATOM 556 CA THR A 35 -3.385 9.646 -2.056 1.00 0.00 C ATOM 557 C THR A 35 -3.496 8.670 -3.229 1.00 0.00 C ATOM 558 O THR A 35 -2.861 7.617 -3.228 1.00 0.00 O ATOM 559 CB THR A 35 -1.956 10.134 -1.805 1.00 0.00 C ATOM 560 OG1 THR A 35 -2.102 11.533 -1.579 1.00 0.00 O ATOM 561 CG2 THR A 35 -1.080 10.048 -3.057 1.00 0.00 C ATOM 0 H THR A 35 -3.390 8.164 -0.574 1.00 0.00 H new ATOM 0 HA THR A 35 -3.994 10.507 -2.331 1.00 0.00 H new ATOM 0 HB THR A 35 -1.506 9.545 -1.006 1.00 0.00 H new ATOM 0 HG1 THR A 35 -1.223 11.930 -1.406 1.00 0.00 H new ATOM 0 HG21 THR A 35 -0.077 10.406 -2.825 1.00 0.00 H new ATOM 0 HG22 THR A 35 -1.027 9.013 -3.393 1.00 0.00 H new ATOM 0 HG23 THR A 35 -1.511 10.664 -3.846 1.00 0.00 H new ATOM 569 N ALA A 36 -4.308 9.055 -4.203 1.00 0.00 N ATOM 570 CA ALA A 36 -4.511 8.227 -5.380 1.00 0.00 C ATOM 571 C ALA A 36 -4.203 9.047 -6.633 1.00 0.00 C ATOM 572 O ALA A 36 -4.557 10.222 -6.714 1.00 0.00 O ATOM 573 CB ALA A 36 -5.939 7.679 -5.377 1.00 0.00 C ATOM 0 H ALA A 36 -4.833 9.929 -4.201 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.834 7.373 -5.371 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.092 7.058 -6.259 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -6.097 7.080 -4.480 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.647 8.508 -5.389 1.00 0.00 H new ATOM 579 N ALA A 37 -3.548 8.394 -7.582 1.00 0.00 N ATOM 580 CA ALA A 37 -3.187 9.048 -8.828 1.00 0.00 C ATOM 581 C ALA A 37 -3.164 8.013 -9.955 1.00 0.00 C ATOM 582 O ALA A 37 -2.546 6.957 -9.819 1.00 0.00 O ATOM 583 CB ALA A 37 -1.843 9.760 -8.663 1.00 0.00 C ATOM 0 H ALA A 37 -3.258 7.419 -7.513 1.00 0.00 H new ATOM 0 HA ALA A 37 -3.926 9.805 -9.090 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.574 10.250 -9.599 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -1.921 10.506 -7.872 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -1.075 9.032 -8.401 1.00 0.00 H new ATOM 589 N GLY A 38 -3.844 8.351 -11.040 1.00 0.00 N ATOM 590 CA GLY A 38 -3.909 7.462 -12.189 1.00 0.00 C ATOM 591 C GLY A 38 -3.903 5.997 -11.751 1.00 0.00 C ATOM 592 O GLY A 38 -4.960 5.407 -11.532 1.00 0.00 O ATOM 0 H GLY A 38 -4.355 9.227 -11.149 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.812 7.670 -12.763 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -3.062 7.651 -12.848 1.00 0.00 H new ATOM 596 N ASP A 39 -2.701 5.452 -11.635 1.00 0.00 N ATOM 597 CA ASP A 39 -2.544 4.066 -11.226 1.00 0.00 C ATOM 598 C ASP A 39 -1.256 3.922 -10.412 1.00 0.00 C ATOM 599 O ASP A 39 -0.618 4.917 -10.072 1.00 0.00 O ATOM 600 CB ASP A 39 -2.442 3.142 -12.441 1.00 0.00 C ATOM 601 CG ASP A 39 -3.601 2.157 -12.602 1.00 0.00 C ATOM 602 OD1 ASP A 39 -4.102 1.693 -11.556 1.00 0.00 O ATOM 603 OD2 ASP A 39 -3.961 1.891 -13.770 1.00 0.00 O ATOM 0 H ASP A 39 -1.827 5.945 -11.817 1.00 0.00 H new ATOM 0 HA ASP A 39 -3.416 3.788 -10.634 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.378 3.755 -13.340 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.512 2.578 -12.373 1.00 0.00 H new ATOM 608 N GLY A 40 -0.913 2.675 -10.124 1.00 0.00 N ATOM 609 CA GLY A 40 0.287 2.388 -9.357 1.00 0.00 C ATOM 610 C GLY A 40 1.446 3.285 -9.796 1.00 0.00 C ATOM 611 O GLY A 40 2.175 3.817 -8.959 1.00 0.00 O ATOM 0 H GLY A 40 -1.445 1.852 -10.408 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.089 2.537 -8.296 1.00 0.00 H new ATOM 0 HA3 GLY A 40 0.563 1.342 -9.486 1.00 0.00 H new ATOM 615 N GLU A 41 1.580 3.425 -11.106 1.00 0.00 N ATOM 616 CA GLU A 41 2.639 4.248 -11.667 1.00 0.00 C ATOM 617 C GLU A 41 2.392 5.723 -11.342 1.00 0.00 C ATOM 618 O GLU A 41 3.250 6.387 -10.764 1.00 0.00 O ATOM 619 CB GLU A 41 2.762 4.031 -13.176 1.00 0.00 C ATOM 620 CG GLU A 41 3.731 2.889 -13.489 1.00 0.00 C ATOM 621 CD GLU A 41 4.316 3.036 -14.895 1.00 0.00 C ATOM 622 OE1 GLU A 41 3.723 3.811 -15.678 1.00 0.00 O ATOM 623 OE2 GLU A 41 5.342 2.371 -15.155 1.00 0.00 O ATOM 0 H GLU A 41 0.973 2.983 -11.796 1.00 0.00 H new ATOM 0 HA GLU A 41 3.584 3.949 -11.214 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.782 3.806 -13.596 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.109 4.948 -13.652 1.00 0.00 H new ATOM 0 HG2 GLU A 41 4.537 2.880 -12.755 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.212 1.934 -13.405 1.00 0.00 H new ATOM 630 N GLN A 42 1.215 6.191 -11.729 1.00 0.00 N ATOM 631 CA GLN A 42 0.844 7.575 -11.487 1.00 0.00 C ATOM 632 C GLN A 42 0.862 7.875 -9.987 1.00 0.00 C ATOM 633 O GLN A 42 1.346 8.924 -9.566 1.00 0.00 O ATOM 634 CB GLN A 42 -0.527 7.889 -12.092 1.00 0.00 C ATOM 635 CG GLN A 42 -0.549 9.294 -12.696 1.00 0.00 C ATOM 636 CD GLN A 42 -1.237 9.291 -14.064 1.00 0.00 C ATOM 637 OE1 GLN A 42 -2.423 9.545 -14.191 1.00 0.00 O ATOM 638 NE2 GLN A 42 -0.428 8.992 -15.076 1.00 0.00 N ATOM 0 H GLN A 42 0.506 5.637 -12.208 1.00 0.00 H new ATOM 0 HA GLN A 42 1.577 8.218 -11.975 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -0.766 7.155 -12.861 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -1.295 7.807 -11.323 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -1.071 9.975 -12.024 1.00 0.00 H new ATOM 0 HG3 GLN A 42 0.470 9.666 -12.798 1.00 0.00 H new ATOM 0 HE21 GLN A 42 0.556 8.789 -14.900 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -0.791 8.965 -16.029 1.00 0.00 H new ATOM 647 N GLY A 43 0.329 6.934 -9.221 1.00 0.00 N ATOM 648 CA GLY A 43 0.279 7.084 -7.776 1.00 0.00 C ATOM 649 C GLY A 43 1.670 6.926 -7.160 1.00 0.00 C ATOM 650 O GLY A 43 1.932 7.437 -6.071 1.00 0.00 O ATOM 0 H GLY A 43 -0.072 6.065 -9.574 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -0.126 8.064 -7.522 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.397 6.341 -7.353 1.00 0.00 H new ATOM 654 N MET A 44 2.526 6.219 -7.882 1.00 0.00 N ATOM 655 CA MET A 44 3.884 5.987 -7.419 1.00 0.00 C ATOM 656 C MET A 44 4.695 7.285 -7.430 1.00 0.00 C ATOM 657 O MET A 44 5.335 7.628 -6.438 1.00 0.00 O ATOM 658 CB MET A 44 4.561 4.954 -8.322 1.00 0.00 C ATOM 659 CG MET A 44 6.080 4.978 -8.139 1.00 0.00 C ATOM 660 SD MET A 44 6.485 4.936 -6.400 1.00 0.00 S ATOM 661 CE MET A 44 8.256 5.137 -6.490 1.00 0.00 C ATOM 0 H MET A 44 2.306 5.799 -8.785 1.00 0.00 H new ATOM 0 HA MET A 44 3.842 5.615 -6.395 1.00 0.00 H new ATOM 0 HB2 MET A 44 4.179 3.959 -8.093 1.00 0.00 H new ATOM 0 HB3 MET A 44 4.313 5.158 -9.364 1.00 0.00 H new ATOM 0 HG2 MET A 44 6.529 4.124 -8.646 1.00 0.00 H new ATOM 0 HG3 MET A 44 6.496 5.876 -8.596 1.00 0.00 H new ATOM 0 HE1 MET A 44 8.740 4.379 -5.875 1.00 0.00 H new ATOM 0 HE2 MET A 44 8.583 5.028 -7.524 1.00 0.00 H new ATOM 0 HE3 MET A 44 8.529 6.128 -6.126 1.00 0.00 H new ATOM 671 N LYS A 45 4.641 7.970 -8.562 1.00 0.00 N ATOM 672 CA LYS A 45 5.363 9.221 -8.715 1.00 0.00 C ATOM 673 C LYS A 45 4.708 10.292 -7.840 1.00 0.00 C ATOM 674 O LYS A 45 5.398 11.090 -7.210 1.00 0.00 O ATOM 675 CB LYS A 45 5.458 9.609 -10.192 1.00 0.00 C ATOM 676 CG LYS A 45 4.069 9.710 -10.824 1.00 0.00 C ATOM 677 CD LYS A 45 4.042 9.042 -12.201 1.00 0.00 C ATOM 678 CE LYS A 45 3.270 9.896 -13.209 1.00 0.00 C ATOM 679 NZ LYS A 45 4.098 10.161 -14.406 1.00 0.00 N ATOM 0 H LYS A 45 4.108 7.682 -9.383 1.00 0.00 H new ATOM 0 HA LYS A 45 6.392 9.111 -8.372 1.00 0.00 H new ATOM 0 HB2 LYS A 45 5.975 10.564 -10.288 1.00 0.00 H new ATOM 0 HB3 LYS A 45 6.052 8.869 -10.728 1.00 0.00 H new ATOM 0 HG2 LYS A 45 3.334 9.237 -10.172 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.784 10.758 -10.919 1.00 0.00 H new ATOM 0 HD2 LYS A 45 5.061 8.888 -12.555 1.00 0.00 H new ATOM 0 HD3 LYS A 45 3.580 8.058 -12.123 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.353 9.385 -13.500 1.00 0.00 H new ATOM 0 HE3 LYS A 45 2.977 10.838 -12.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 3.559 10.742 -15.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 4.962 10.668 -14.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 4.357 9.260 -14.856 1.00 0.00 H new ATOM 693 N ILE A 46 3.383 10.274 -7.830 1.00 0.00 N ATOM 694 CA ILE A 46 2.628 11.233 -7.043 1.00 0.00 C ATOM 695 C ILE A 46 2.870 10.971 -5.556 1.00 0.00 C ATOM 696 O ILE A 46 2.883 11.900 -4.751 1.00 0.00 O ATOM 697 CB ILE A 46 1.150 11.207 -7.439 1.00 0.00 C ATOM 698 CG1 ILE A 46 0.890 12.108 -8.649 1.00 0.00 C ATOM 699 CG2 ILE A 46 0.257 11.570 -6.252 1.00 0.00 C ATOM 700 CD1 ILE A 46 1.411 11.463 -9.936 1.00 0.00 C ATOM 0 H ILE A 46 2.813 9.610 -8.355 1.00 0.00 H new ATOM 0 HA ILE A 46 2.972 12.247 -7.248 1.00 0.00 H new ATOM 0 HB ILE A 46 0.894 10.189 -7.734 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.179 12.300 -8.741 1.00 0.00 H new ATOM 0 HG13 ILE A 46 1.375 13.073 -8.499 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.788 11.544 -6.561 1.00 0.00 H new ATOM 0 HG22 ILE A 46 0.415 10.854 -5.446 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.507 12.572 -5.902 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.213 12.124 -10.780 1.00 0.00 H new ATOM 0 HD12 ILE A 46 2.485 11.295 -9.850 1.00 0.00 H new ATOM 0 HD13 ILE A 46 0.906 10.510 -10.096 1.00 0.00 H new ATOM 712 N MET A 47 3.057 9.698 -5.236 1.00 0.00 N ATOM 713 CA MET A 47 3.298 9.301 -3.859 1.00 0.00 C ATOM 714 C MET A 47 4.744 9.589 -3.451 1.00 0.00 C ATOM 715 O MET A 47 4.992 10.142 -2.380 1.00 0.00 O ATOM 716 CB MET A 47 3.011 7.807 -3.700 1.00 0.00 C ATOM 717 CG MET A 47 3.628 7.263 -2.411 1.00 0.00 C ATOM 718 SD MET A 47 3.615 5.478 -2.433 1.00 0.00 S ATOM 719 CE MET A 47 4.937 5.173 -3.593 1.00 0.00 C ATOM 0 H MET A 47 3.046 8.929 -5.906 1.00 0.00 H new ATOM 0 HA MET A 47 2.636 9.878 -3.213 1.00 0.00 H new ATOM 0 HB2 MET A 47 1.934 7.639 -3.691 1.00 0.00 H new ATOM 0 HB3 MET A 47 3.411 7.263 -4.556 1.00 0.00 H new ATOM 0 HG2 MET A 47 4.650 7.626 -2.306 1.00 0.00 H new ATOM 0 HG3 MET A 47 3.070 7.628 -1.549 1.00 0.00 H new ATOM 0 HE1 MET A 47 4.537 4.680 -4.479 1.00 0.00 H new ATOM 0 HE2 MET A 47 5.395 6.120 -3.880 1.00 0.00 H new ATOM 0 HE3 MET A 47 5.687 4.533 -3.129 1.00 0.00 H new ATOM 729 N ALA A 48 5.661 9.202 -4.326 1.00 0.00 N ATOM 730 CA ALA A 48 7.075 9.412 -4.069 1.00 0.00 C ATOM 731 C ALA A 48 7.361 10.914 -4.009 1.00 0.00 C ATOM 732 O ALA A 48 8.072 11.379 -3.119 1.00 0.00 O ATOM 733 CB ALA A 48 7.900 8.705 -5.146 1.00 0.00 C ATOM 0 H ALA A 48 5.452 8.744 -5.213 1.00 0.00 H new ATOM 0 HA ALA A 48 7.358 8.984 -3.107 1.00 0.00 H new ATOM 0 HB1 ALA A 48 8.961 8.863 -4.953 1.00 0.00 H new ATOM 0 HB2 ALA A 48 7.683 7.637 -5.128 1.00 0.00 H new ATOM 0 HB3 ALA A 48 7.645 9.111 -6.125 1.00 0.00 H new ATOM 739 N GLN A 49 6.792 11.632 -4.967 1.00 0.00 N ATOM 740 CA GLN A 49 6.976 13.070 -5.034 1.00 0.00 C ATOM 741 C GLN A 49 6.672 13.708 -3.677 1.00 0.00 C ATOM 742 O GLN A 49 7.103 14.829 -3.402 1.00 0.00 O ATOM 743 CB GLN A 49 6.109 13.684 -6.134 1.00 0.00 C ATOM 744 CG GLN A 49 6.909 13.866 -7.426 1.00 0.00 C ATOM 745 CD GLN A 49 7.863 15.058 -7.316 1.00 0.00 C ATOM 746 OE1 GLN A 49 8.637 15.182 -6.382 1.00 0.00 O ATOM 747 NE2 GLN A 49 7.764 15.923 -8.322 1.00 0.00 N ATOM 0 H GLN A 49 6.203 11.243 -5.703 1.00 0.00 H new ATOM 0 HA GLN A 49 8.018 13.271 -5.284 1.00 0.00 H new ATOM 0 HB2 GLN A 49 5.247 13.044 -6.323 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.723 14.648 -5.802 1.00 0.00 H new ATOM 0 HG2 GLN A 49 7.476 12.960 -7.638 1.00 0.00 H new ATOM 0 HG3 GLN A 49 6.227 14.017 -8.262 1.00 0.00 H new ATOM 0 HE21 GLN A 49 7.094 15.758 -9.073 1.00 0.00 H new ATOM 0 HE22 GLN A 49 8.359 16.752 -8.343 1.00 0.00 H new ATOM 756 N ASN A 50 5.933 12.969 -2.864 1.00 0.00 N ATOM 757 CA ASN A 50 5.567 13.449 -1.542 1.00 0.00 C ATOM 758 C ASN A 50 5.798 12.335 -0.517 1.00 0.00 C ATOM 759 O ASN A 50 6.333 11.280 -0.853 1.00 0.00 O ATOM 760 CB ASN A 50 4.089 13.841 -1.488 1.00 0.00 C ATOM 761 CG ASN A 50 3.508 13.986 -2.897 1.00 0.00 C ATOM 762 OD1 ASN A 50 4.152 14.467 -3.815 1.00 0.00 O ATOM 763 ND2 ASN A 50 2.260 13.544 -3.015 1.00 0.00 N ATOM 0 H ASN A 50 5.577 12.041 -3.095 1.00 0.00 H new ATOM 0 HA ASN A 50 6.180 14.322 -1.319 1.00 0.00 H new ATOM 0 HB2 ASN A 50 3.529 13.086 -0.936 1.00 0.00 H new ATOM 0 HB3 ASN A 50 3.978 14.780 -0.946 1.00 0.00 H new ATOM 0 HD21 ASN A 50 1.783 13.596 -3.915 1.00 0.00 H new ATOM 0 HD22 ASN A 50 1.779 13.153 -2.205 1.00 0.00 H new ATOM 770 N PRO A 51 5.371 12.616 0.743 1.00 0.00 N ATOM 771 CA PRO A 51 5.527 11.651 1.818 1.00 0.00 C ATOM 772 C PRO A 51 4.506 10.518 1.689 1.00 0.00 C ATOM 773 O PRO A 51 3.411 10.720 1.168 1.00 0.00 O ATOM 774 CB PRO A 51 5.360 12.457 3.096 1.00 0.00 C ATOM 775 CG PRO A 51 4.661 13.743 2.690 1.00 0.00 C ATOM 776 CD PRO A 51 4.733 13.856 1.176 1.00 0.00 C ATOM 0 HA PRO A 51 6.496 11.153 1.800 1.00 0.00 H new ATOM 0 HB2 PRO A 51 4.771 11.907 3.830 1.00 0.00 H new ATOM 0 HB3 PRO A 51 6.326 12.666 3.555 1.00 0.00 H new ATOM 0 HG2 PRO A 51 3.623 13.735 3.023 1.00 0.00 H new ATOM 0 HG3 PRO A 51 5.140 14.602 3.160 1.00 0.00 H new ATOM 0 HD2 PRO A 51 3.740 13.964 0.739 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.312 14.727 0.871 1.00 0.00 H new ATOM 784 N HIS A 52 4.904 9.350 2.171 1.00 0.00 N ATOM 785 CA HIS A 52 4.038 8.184 2.116 1.00 0.00 C ATOM 786 C HIS A 52 4.625 7.068 2.982 1.00 0.00 C ATOM 787 O HIS A 52 5.833 7.026 3.213 1.00 0.00 O ATOM 788 CB HIS A 52 3.802 7.751 0.668 1.00 0.00 C ATOM 789 CG HIS A 52 5.046 7.270 -0.040 1.00 0.00 C ATOM 790 ND1 HIS A 52 6.005 8.133 -0.540 1.00 0.00 N ATOM 791 CD2 HIS A 52 5.479 6.008 -0.323 1.00 0.00 C ATOM 792 CE1 HIS A 52 6.966 7.412 -1.100 1.00 0.00 C ATOM 793 NE2 HIS A 52 6.638 6.095 -0.964 1.00 0.00 N ATOM 0 H HIS A 52 5.814 9.186 2.601 1.00 0.00 H new ATOM 0 HA HIS A 52 3.058 8.434 2.523 1.00 0.00 H new ATOM 0 HB2 HIS A 52 3.058 6.955 0.654 1.00 0.00 H new ATOM 0 HB3 HIS A 52 3.382 8.590 0.113 1.00 0.00 H new ATOM 0 HD1 HIS A 52 5.977 9.151 -0.487 1.00 0.00 H new ATOM 0 HD2 HIS A 52 4.966 5.093 -0.069 1.00 0.00 H new ATOM 0 HE1 HIS A 52 7.853 7.799 -1.580 1.00 0.00 H new ATOM 802 N HIS A 53 3.744 6.189 3.436 1.00 0.00 N ATOM 803 CA HIS A 53 4.160 5.075 4.271 1.00 0.00 C ATOM 804 C HIS A 53 3.279 3.859 3.980 1.00 0.00 C ATOM 805 O HIS A 53 3.304 2.877 4.721 1.00 0.00 O ATOM 806 CB HIS A 53 4.154 5.471 5.749 1.00 0.00 C ATOM 807 CG HIS A 53 4.639 4.384 6.679 1.00 0.00 C ATOM 808 ND1 HIS A 53 3.954 3.419 7.355 1.00 0.00 N flip ATOM 809 CD2 HIS A 53 5.975 4.210 6.996 1.00 0.00 C flip ATOM 810 CE1 HIS A 53 4.823 2.694 8.047 1.00 0.00 C flip ATOM 811 NE2 HIS A 53 6.077 3.183 7.826 1.00 0.00 N flip ATOM 0 H HIS A 53 2.743 6.226 3.241 1.00 0.00 H new ATOM 0 HA HIS A 53 5.188 4.802 4.032 1.00 0.00 H new ATOM 0 HB2 HIS A 53 4.780 6.353 5.881 1.00 0.00 H new ATOM 0 HB3 HIS A 53 3.141 5.754 6.035 1.00 0.00 H new ATOM 0 HD2 HIS A 53 6.795 4.810 6.629 1.00 0.00 H new ATOM 0 HE1 HIS A 53 4.578 1.855 8.681 1.00 0.00 H new ATOM 0 HE2 HIS A 53 6.941 2.821 8.229 1.00 0.00 H new ATOM 820 N LEU A 54 2.520 3.963 2.899 1.00 0.00 N ATOM 821 CA LEU A 54 1.633 2.883 2.500 1.00 0.00 C ATOM 822 C LEU A 54 1.384 2.963 0.993 1.00 0.00 C ATOM 823 O LEU A 54 1.122 4.040 0.459 1.00 0.00 O ATOM 824 CB LEU A 54 0.352 2.907 3.337 1.00 0.00 C ATOM 825 CG LEU A 54 0.272 1.881 4.470 1.00 0.00 C ATOM 826 CD1 LEU A 54 0.219 2.573 5.833 1.00 0.00 C ATOM 827 CD2 LEU A 54 -0.908 0.929 4.264 1.00 0.00 C ATOM 0 H LEU A 54 2.501 4.779 2.287 1.00 0.00 H new ATOM 0 HA LEU A 54 2.097 1.916 2.695 1.00 0.00 H new ATOM 0 HB2 LEU A 54 0.241 3.903 3.767 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.497 2.750 2.671 1.00 0.00 H new ATOM 0 HG LEU A 54 1.180 1.278 4.450 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.163 1.822 6.621 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.117 3.176 5.970 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.660 3.216 5.881 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.943 0.210 5.082 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.836 1.500 4.243 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.787 0.398 3.320 1.00 0.00 H new ATOM 839 N VAL A 55 1.476 1.809 0.348 1.00 0.00 N ATOM 840 CA VAL A 55 1.264 1.735 -1.087 1.00 0.00 C ATOM 841 C VAL A 55 0.315 0.577 -1.400 1.00 0.00 C ATOM 842 O VAL A 55 0.744 -0.572 -1.503 1.00 0.00 O ATOM 843 CB VAL A 55 2.608 1.617 -1.809 1.00 0.00 C ATOM 844 CG1 VAL A 55 2.426 1.717 -3.325 1.00 0.00 C ATOM 845 CG2 VAL A 55 3.595 2.672 -1.305 1.00 0.00 C ATOM 0 H VAL A 55 1.695 0.918 0.793 1.00 0.00 H new ATOM 0 HA VAL A 55 0.793 2.648 -1.450 1.00 0.00 H new ATOM 0 HB VAL A 55 3.024 0.635 -1.585 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.396 1.630 -3.814 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.774 0.913 -3.667 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.978 2.679 -3.575 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.542 2.566 -1.834 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.188 3.667 -1.485 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.759 2.535 -0.236 1.00 0.00 H new ATOM 855 N ILE A 56 -0.958 0.918 -1.541 1.00 0.00 N ATOM 856 CA ILE A 56 -1.971 -0.079 -1.839 1.00 0.00 C ATOM 857 C ILE A 56 -2.579 0.212 -3.213 1.00 0.00 C ATOM 858 O ILE A 56 -2.879 1.361 -3.532 1.00 0.00 O ATOM 859 CB ILE A 56 -3.004 -0.147 -0.712 1.00 0.00 C ATOM 860 CG1 ILE A 56 -4.259 0.652 -1.069 1.00 0.00 C ATOM 861 CG2 ILE A 56 -2.396 0.305 0.617 1.00 0.00 C ATOM 862 CD1 ILE A 56 -5.196 0.768 0.134 1.00 0.00 C ATOM 0 H ILE A 56 -1.310 1.871 -1.454 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.524 -1.072 -1.891 1.00 0.00 H new ATOM 0 HB ILE A 56 -3.308 -1.187 -0.590 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.976 1.647 -1.411 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -4.780 0.168 -1.895 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.151 0.247 1.401 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.557 -0.343 0.872 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -2.046 1.333 0.526 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -6.080 1.340 -0.147 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -5.497 -0.228 0.458 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -4.680 1.275 0.950 1.00 0.00 H new ATOM 874 N SER A 57 -2.742 -0.849 -3.989 1.00 0.00 N ATOM 875 CA SER A 57 -3.308 -0.722 -5.321 1.00 0.00 C ATOM 876 C SER A 57 -4.184 -1.936 -5.636 1.00 0.00 C ATOM 877 O SER A 57 -4.194 -2.911 -4.885 1.00 0.00 O ATOM 878 CB SER A 57 -2.208 -0.574 -6.375 1.00 0.00 C ATOM 879 OG SER A 57 -2.708 -0.755 -7.697 1.00 0.00 O ATOM 0 H SER A 57 -2.492 -1.801 -3.721 1.00 0.00 H new ATOM 0 HA SER A 57 -3.923 0.178 -5.347 1.00 0.00 H new ATOM 0 HB2 SER A 57 -1.756 0.414 -6.291 1.00 0.00 H new ATOM 0 HB3 SER A 57 -1.421 -1.303 -6.182 1.00 0.00 H new ATOM 0 HG SER A 57 -1.976 -0.651 -8.341 1.00 0.00 H new ATOM 885 N ASP A 58 -4.900 -1.838 -6.746 1.00 0.00 N ATOM 886 CA ASP A 58 -5.778 -2.916 -7.169 1.00 0.00 C ATOM 887 C ASP A 58 -5.054 -3.781 -8.203 1.00 0.00 C ATOM 888 O ASP A 58 -3.866 -3.589 -8.457 1.00 0.00 O ATOM 889 CB ASP A 58 -7.050 -2.368 -7.819 1.00 0.00 C ATOM 890 CG ASP A 58 -8.358 -2.852 -7.190 1.00 0.00 C ATOM 891 OD1 ASP A 58 -8.339 -3.107 -5.966 1.00 0.00 O ATOM 892 OD2 ASP A 58 -9.347 -2.958 -7.947 1.00 0.00 O ATOM 0 H ASP A 58 -4.890 -1.028 -7.366 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.046 -3.498 -6.287 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.023 -1.279 -7.773 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.048 -2.643 -8.874 1.00 0.00 H new ATOM 897 N PHE A 59 -5.801 -4.716 -8.772 1.00 0.00 N ATOM 898 CA PHE A 59 -5.246 -5.611 -9.772 1.00 0.00 C ATOM 899 C PHE A 59 -5.918 -5.400 -11.131 1.00 0.00 C ATOM 900 O PHE A 59 -5.823 -6.251 -12.014 1.00 0.00 O ATOM 901 CB PHE A 59 -5.522 -7.039 -9.298 1.00 0.00 C ATOM 902 CG PHE A 59 -6.934 -7.250 -8.748 1.00 0.00 C ATOM 903 CD1 PHE A 59 -7.957 -6.468 -9.184 1.00 0.00 C ATOM 904 CD2 PHE A 59 -7.166 -8.219 -7.823 1.00 0.00 C ATOM 905 CE1 PHE A 59 -9.268 -6.663 -8.674 1.00 0.00 C ATOM 906 CE2 PHE A 59 -8.477 -8.416 -7.313 1.00 0.00 C ATOM 907 CZ PHE A 59 -9.500 -7.632 -7.749 1.00 0.00 C ATOM 0 H PHE A 59 -6.786 -4.873 -8.559 1.00 0.00 H new ATOM 0 HA PHE A 59 -4.179 -5.420 -9.890 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -5.361 -7.725 -10.130 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.799 -7.300 -8.525 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -7.773 -5.698 -9.919 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -6.353 -8.839 -7.476 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -10.080 -6.042 -9.021 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -8.662 -9.187 -6.580 1.00 0.00 H new ATOM 0 HZ PHE A 59 -10.497 -7.780 -7.360 1.00 0.00 H new ATOM 917 N ASN A 60 -6.580 -4.259 -11.257 1.00 0.00 N ATOM 918 CA ASN A 60 -7.266 -3.925 -12.492 1.00 0.00 C ATOM 919 C ASN A 60 -6.257 -3.898 -13.641 1.00 0.00 C ATOM 920 O ASN A 60 -6.127 -4.873 -14.380 1.00 0.00 O ATOM 921 CB ASN A 60 -7.918 -2.543 -12.404 1.00 0.00 C ATOM 922 CG ASN A 60 -9.442 -2.659 -12.329 1.00 0.00 C ATOM 923 OD1 ASN A 60 -10.150 -2.534 -13.316 1.00 0.00 O ATOM 924 ND2 ASN A 60 -9.907 -2.905 -11.108 1.00 0.00 N ATOM 0 H ASN A 60 -6.655 -3.554 -10.523 1.00 0.00 H new ATOM 0 HA ASN A 60 -8.036 -4.678 -12.663 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -7.546 -2.017 -11.525 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -7.637 -1.949 -13.274 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -10.911 -3.000 -10.954 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -9.260 -2.998 -10.325 1.00 0.00 H new ATOM 931 N MET A 61 -5.567 -2.772 -13.756 1.00 0.00 N ATOM 932 CA MET A 61 -4.572 -2.606 -14.801 1.00 0.00 C ATOM 933 C MET A 61 -3.544 -1.542 -14.416 1.00 0.00 C ATOM 934 O MET A 61 -3.235 -0.655 -15.211 1.00 0.00 O ATOM 935 CB MET A 61 -5.266 -2.199 -16.104 1.00 0.00 C ATOM 936 CG MET A 61 -6.675 -2.788 -16.182 1.00 0.00 C ATOM 937 SD MET A 61 -7.507 -2.188 -17.644 1.00 0.00 S ATOM 938 CE MET A 61 -9.033 -3.107 -17.531 1.00 0.00 C ATOM 0 H MET A 61 -5.678 -1.965 -13.142 1.00 0.00 H new ATOM 0 HA MET A 61 -4.051 -3.554 -14.936 1.00 0.00 H new ATOM 0 HB2 MET A 61 -5.318 -1.112 -16.168 1.00 0.00 H new ATOM 0 HB3 MET A 61 -4.678 -2.541 -16.956 1.00 0.00 H new ATOM 0 HG2 MET A 61 -6.622 -3.877 -16.204 1.00 0.00 H new ATOM 0 HG3 MET A 61 -7.242 -2.514 -15.292 1.00 0.00 H new ATOM 0 HE1 MET A 61 -9.675 -2.851 -18.373 1.00 0.00 H new ATOM 0 HE2 MET A 61 -8.817 -4.175 -17.551 1.00 0.00 H new ATOM 0 HE3 MET A 61 -9.540 -2.857 -16.599 1.00 0.00 H new ATOM 948 N PRO A 62 -3.028 -1.667 -13.164 1.00 0.00 N ATOM 949 CA PRO A 62 -2.040 -0.727 -12.663 1.00 0.00 C ATOM 950 C PRO A 62 -0.669 -0.985 -13.291 1.00 0.00 C ATOM 951 O PRO A 62 -0.255 -2.134 -13.436 1.00 0.00 O ATOM 952 CB PRO A 62 -2.047 -0.914 -11.155 1.00 0.00 C ATOM 953 CG PRO A 62 -2.694 -2.268 -10.906 1.00 0.00 C ATOM 954 CD PRO A 62 -3.371 -2.705 -12.195 1.00 0.00 C ATOM 0 HA PRO A 62 -2.273 0.305 -12.924 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -1.034 -0.885 -10.753 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -2.607 -0.117 -10.665 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -1.945 -2.999 -10.601 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -3.421 -2.201 -10.097 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -3.013 -3.683 -12.518 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -4.450 -2.787 -12.067 1.00 0.00 H new ATOM 962 N LYS A 63 -0.003 0.103 -13.648 1.00 0.00 N ATOM 963 CA LYS A 63 1.313 0.008 -14.257 1.00 0.00 C ATOM 964 C LYS A 63 2.347 -0.320 -13.178 1.00 0.00 C ATOM 965 O LYS A 63 3.428 -0.821 -13.483 1.00 0.00 O ATOM 966 CB LYS A 63 1.630 1.280 -15.046 1.00 0.00 C ATOM 967 CG LYS A 63 0.853 1.317 -16.363 1.00 0.00 C ATOM 968 CD LYS A 63 1.207 0.115 -17.243 1.00 0.00 C ATOM 969 CE LYS A 63 1.023 0.448 -18.725 1.00 0.00 C ATOM 970 NZ LYS A 63 0.750 -0.782 -19.502 1.00 0.00 N ATOM 0 H LYS A 63 -0.350 1.055 -13.527 1.00 0.00 H new ATOM 0 HA LYS A 63 1.340 -0.805 -14.982 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.379 2.156 -14.447 1.00 0.00 H new ATOM 0 HB3 LYS A 63 2.700 1.329 -15.249 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.218 1.319 -16.158 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.077 2.241 -16.896 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.239 -0.184 -17.059 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.577 -0.734 -16.976 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.200 1.152 -18.846 1.00 0.00 H new ATOM 0 HE3 LYS A 63 1.919 0.936 -19.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 0.628 -0.539 -20.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 1.548 -1.441 -19.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -0.118 -1.232 -19.147 1.00 0.00 H new ATOM 984 N MET A 64 1.978 -0.023 -11.940 1.00 0.00 N ATOM 985 CA MET A 64 2.861 -0.281 -10.816 1.00 0.00 C ATOM 986 C MET A 64 2.101 -0.939 -9.662 1.00 0.00 C ATOM 987 O MET A 64 1.711 -0.268 -8.708 1.00 0.00 O ATOM 988 CB MET A 64 3.476 1.036 -10.336 1.00 0.00 C ATOM 989 CG MET A 64 4.932 0.839 -9.912 1.00 0.00 C ATOM 990 SD MET A 64 6.027 1.432 -11.191 1.00 0.00 S ATOM 991 CE MET A 64 7.503 0.513 -10.787 1.00 0.00 C ATOM 0 H MET A 64 1.081 0.393 -11.691 1.00 0.00 H new ATOM 0 HA MET A 64 3.647 -0.961 -11.145 1.00 0.00 H new ATOM 0 HB2 MET A 64 3.423 1.778 -11.133 1.00 0.00 H new ATOM 0 HB3 MET A 64 2.899 1.427 -9.498 1.00 0.00 H new ATOM 0 HG2 MET A 64 5.124 1.373 -8.981 1.00 0.00 H new ATOM 0 HG3 MET A 64 5.123 -0.217 -9.719 1.00 0.00 H new ATOM 0 HE1 MET A 64 8.314 0.818 -11.448 1.00 0.00 H new ATOM 0 HE2 MET A 64 7.784 0.712 -9.753 1.00 0.00 H new ATOM 0 HE3 MET A 64 7.314 -0.553 -10.913 1.00 0.00 H new ATOM 1001 N ASP A 65 1.914 -2.245 -9.788 1.00 0.00 N ATOM 1002 CA ASP A 65 1.208 -3.001 -8.768 1.00 0.00 C ATOM 1003 C ASP A 65 2.139 -3.238 -7.578 1.00 0.00 C ATOM 1004 O ASP A 65 3.312 -2.868 -7.620 1.00 0.00 O ATOM 1005 CB ASP A 65 0.766 -4.365 -9.301 1.00 0.00 C ATOM 1006 CG ASP A 65 -0.171 -5.147 -8.378 1.00 0.00 C ATOM 1007 OD1 ASP A 65 -0.987 -4.483 -7.703 1.00 0.00 O ATOM 1008 OD2 ASP A 65 -0.050 -6.392 -8.368 1.00 0.00 O ATOM 0 H ASP A 65 2.239 -2.798 -10.581 1.00 0.00 H new ATOM 0 HA ASP A 65 0.330 -2.428 -8.471 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.269 -4.220 -10.260 1.00 0.00 H new ATOM 0 HB3 ASP A 65 1.653 -4.969 -9.490 1.00 0.00 H new ATOM 1013 N GLY A 66 1.583 -3.852 -6.545 1.00 0.00 N ATOM 1014 CA GLY A 66 2.349 -4.143 -5.345 1.00 0.00 C ATOM 1015 C GLY A 66 3.818 -4.406 -5.683 1.00 0.00 C ATOM 1016 O GLY A 66 4.702 -3.677 -5.235 1.00 0.00 O ATOM 0 H GLY A 66 0.610 -4.157 -6.514 1.00 0.00 H new ATOM 0 HA2 GLY A 66 2.276 -3.306 -4.651 1.00 0.00 H new ATOM 0 HA3 GLY A 66 1.927 -5.013 -4.841 1.00 0.00 H new ATOM 1020 N LEU A 67 4.033 -5.450 -6.470 1.00 0.00 N ATOM 1021 CA LEU A 67 5.380 -5.819 -6.874 1.00 0.00 C ATOM 1022 C LEU A 67 6.040 -4.631 -7.577 1.00 0.00 C ATOM 1023 O LEU A 67 7.195 -4.308 -7.306 1.00 0.00 O ATOM 1024 CB LEU A 67 5.356 -7.096 -7.715 1.00 0.00 C ATOM 1025 CG LEU A 67 4.801 -8.344 -7.026 1.00 0.00 C ATOM 1026 CD1 LEU A 67 5.543 -9.600 -7.487 1.00 0.00 C ATOM 1027 CD2 LEU A 67 4.830 -8.187 -5.504 1.00 0.00 C ATOM 0 H LEU A 67 3.297 -6.052 -6.839 1.00 0.00 H new ATOM 0 HA LEU A 67 5.990 -6.052 -6.001 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.764 -6.906 -8.610 1.00 0.00 H new ATOM 0 HB3 LEU A 67 6.373 -7.309 -8.044 1.00 0.00 H new ATOM 0 HG LEU A 67 3.758 -8.461 -7.318 1.00 0.00 H new ATOM 0 HD11 LEU A 67 5.129 -10.473 -6.982 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.428 -9.716 -8.565 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.601 -9.508 -7.243 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.430 -9.087 -5.038 1.00 0.00 H new ATOM 0 HD22 LEU A 67 5.857 -8.033 -5.174 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.223 -7.329 -5.215 1.00 0.00 H new ATOM 1039 N GLY A 68 5.277 -4.013 -8.467 1.00 0.00 N ATOM 1040 CA GLY A 68 5.774 -2.868 -9.211 1.00 0.00 C ATOM 1041 C GLY A 68 6.249 -1.763 -8.265 1.00 0.00 C ATOM 1042 O GLY A 68 7.285 -1.144 -8.499 1.00 0.00 O ATOM 0 H GLY A 68 4.319 -4.283 -8.689 1.00 0.00 H new ATOM 0 HA2 GLY A 68 6.596 -3.178 -9.856 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.988 -2.483 -9.860 1.00 0.00 H new ATOM 1046 N LEU A 69 5.468 -1.550 -7.216 1.00 0.00 N ATOM 1047 CA LEU A 69 5.796 -0.531 -6.234 1.00 0.00 C ATOM 1048 C LEU A 69 7.119 -0.890 -5.554 1.00 0.00 C ATOM 1049 O LEU A 69 7.957 -0.021 -5.320 1.00 0.00 O ATOM 1050 CB LEU A 69 4.635 -0.337 -5.255 1.00 0.00 C ATOM 1051 CG LEU A 69 3.243 -0.232 -5.879 1.00 0.00 C ATOM 1052 CD1 LEU A 69 2.198 -0.935 -5.010 1.00 0.00 C ATOM 1053 CD2 LEU A 69 2.873 1.227 -6.153 1.00 0.00 C ATOM 0 H LEU A 69 4.609 -2.066 -7.025 1.00 0.00 H new ATOM 0 HA LEU A 69 5.939 0.434 -6.720 1.00 0.00 H new ATOM 0 HB2 LEU A 69 4.635 -1.171 -4.553 1.00 0.00 H new ATOM 0 HB3 LEU A 69 4.821 0.568 -4.676 1.00 0.00 H new ATOM 0 HG LEU A 69 3.260 -0.745 -6.840 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.217 -0.845 -5.477 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.457 -1.989 -4.910 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.174 -0.472 -4.023 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.878 1.273 -6.597 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.879 1.786 -5.217 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.598 1.663 -6.841 1.00 0.00 H new ATOM 1065 N LEU A 70 7.265 -2.174 -5.258 1.00 0.00 N ATOM 1066 CA LEU A 70 8.473 -2.658 -4.610 1.00 0.00 C ATOM 1067 C LEU A 70 9.682 -2.336 -5.489 1.00 0.00 C ATOM 1068 O LEU A 70 10.706 -1.866 -4.994 1.00 0.00 O ATOM 1069 CB LEU A 70 8.339 -4.144 -4.271 1.00 0.00 C ATOM 1070 CG LEU A 70 9.598 -4.993 -4.461 1.00 0.00 C ATOM 1071 CD1 LEU A 70 9.747 -5.431 -5.919 1.00 0.00 C ATOM 1072 CD2 LEU A 70 10.838 -4.255 -3.954 1.00 0.00 C ATOM 0 H LEU A 70 6.568 -2.893 -5.455 1.00 0.00 H new ATOM 0 HA LEU A 70 8.625 -2.149 -3.658 1.00 0.00 H new ATOM 0 HB2 LEU A 70 8.019 -4.232 -3.233 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.544 -4.566 -4.886 1.00 0.00 H new ATOM 0 HG LEU A 70 9.495 -5.898 -3.862 1.00 0.00 H new ATOM 0 HD11 LEU A 70 10.649 -6.033 -6.028 1.00 0.00 H new ATOM 0 HD12 LEU A 70 8.879 -6.022 -6.212 1.00 0.00 H new ATOM 0 HD13 LEU A 70 9.819 -4.551 -6.558 1.00 0.00 H new ATOM 0 HD21 LEU A 70 11.719 -4.880 -4.101 1.00 0.00 H new ATOM 0 HD22 LEU A 70 10.958 -3.323 -4.507 1.00 0.00 H new ATOM 0 HD23 LEU A 70 10.722 -4.035 -2.893 1.00 0.00 H new ATOM 1084 N GLN A 71 9.525 -2.600 -6.778 1.00 0.00 N ATOM 1085 CA GLN A 71 10.592 -2.344 -7.731 1.00 0.00 C ATOM 1086 C GLN A 71 10.968 -0.861 -7.719 1.00 0.00 C ATOM 1087 O GLN A 71 12.133 -0.510 -7.906 1.00 0.00 O ATOM 1088 CB GLN A 71 10.193 -2.798 -9.136 1.00 0.00 C ATOM 1089 CG GLN A 71 10.159 -4.325 -9.229 1.00 0.00 C ATOM 1090 CD GLN A 71 9.932 -4.781 -10.673 1.00 0.00 C ATOM 1091 OE1 GLN A 71 9.760 -3.986 -11.582 1.00 0.00 O ATOM 1092 NE2 GLN A 71 9.943 -6.101 -10.830 1.00 0.00 N ATOM 0 H GLN A 71 8.674 -2.989 -7.185 1.00 0.00 H new ATOM 0 HA GLN A 71 11.466 -2.923 -7.433 1.00 0.00 H new ATOM 0 HB2 GLN A 71 9.213 -2.393 -9.389 1.00 0.00 H new ATOM 0 HB3 GLN A 71 10.900 -2.401 -9.865 1.00 0.00 H new ATOM 0 HG2 GLN A 71 11.097 -4.737 -8.857 1.00 0.00 H new ATOM 0 HG3 GLN A 71 9.365 -4.714 -8.592 1.00 0.00 H new ATOM 0 HE21 GLN A 71 10.093 -6.709 -10.025 1.00 0.00 H new ATOM 0 HE22 GLN A 71 9.802 -6.506 -11.756 1.00 0.00 H new ATOM 1101 N ALA A 72 9.961 -0.029 -7.498 1.00 0.00 N ATOM 1102 CA ALA A 72 10.172 1.408 -7.461 1.00 0.00 C ATOM 1103 C ALA A 72 10.996 1.766 -6.223 1.00 0.00 C ATOM 1104 O ALA A 72 11.942 2.548 -6.308 1.00 0.00 O ATOM 1105 CB ALA A 72 8.819 2.123 -7.488 1.00 0.00 C ATOM 0 H ALA A 72 8.997 -0.323 -7.343 1.00 0.00 H new ATOM 0 HA ALA A 72 10.732 1.737 -8.336 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.977 3.201 -7.460 1.00 0.00 H new ATOM 0 HB2 ALA A 72 8.285 1.858 -8.401 1.00 0.00 H new ATOM 0 HB3 ALA A 72 8.230 1.820 -6.622 1.00 0.00 H new ATOM 1111 N VAL A 73 10.607 1.176 -5.102 1.00 0.00 N ATOM 1112 CA VAL A 73 11.299 1.424 -3.847 1.00 0.00 C ATOM 1113 C VAL A 73 12.784 1.100 -4.017 1.00 0.00 C ATOM 1114 O VAL A 73 13.640 1.782 -3.454 1.00 0.00 O ATOM 1115 CB VAL A 73 10.638 0.627 -2.720 1.00 0.00 C ATOM 1116 CG1 VAL A 73 9.113 0.692 -2.823 1.00 0.00 C ATOM 1117 CG2 VAL A 73 11.126 -0.822 -2.715 1.00 0.00 C ATOM 0 H VAL A 73 9.822 0.528 -5.036 1.00 0.00 H new ATOM 0 HA VAL A 73 11.225 2.476 -3.570 1.00 0.00 H new ATOM 0 HB VAL A 73 10.929 1.082 -1.773 1.00 0.00 H new ATOM 0 HG11 VAL A 73 8.669 0.117 -2.010 1.00 0.00 H new ATOM 0 HG12 VAL A 73 8.788 1.730 -2.754 1.00 0.00 H new ATOM 0 HG13 VAL A 73 8.795 0.275 -3.778 1.00 0.00 H new ATOM 0 HG21 VAL A 73 10.641 -1.366 -1.905 1.00 0.00 H new ATOM 0 HG22 VAL A 73 10.879 -1.292 -3.667 1.00 0.00 H new ATOM 0 HG23 VAL A 73 12.206 -0.842 -2.570 1.00 0.00 H new ATOM 1127 N ARG A 74 13.046 0.061 -4.796 1.00 0.00 N ATOM 1128 CA ARG A 74 14.414 -0.361 -5.046 1.00 0.00 C ATOM 1129 C ARG A 74 15.200 0.764 -5.722 1.00 0.00 C ATOM 1130 O ARG A 74 16.429 0.777 -5.684 1.00 0.00 O ATOM 1131 CB ARG A 74 14.452 -1.606 -5.935 1.00 0.00 C ATOM 1132 CG ARG A 74 14.416 -2.882 -5.091 1.00 0.00 C ATOM 1133 CD ARG A 74 15.381 -3.933 -5.646 1.00 0.00 C ATOM 1134 NE ARG A 74 16.608 -3.979 -4.819 1.00 0.00 N ATOM 1135 CZ ARG A 74 16.640 -4.393 -3.545 1.00 0.00 C ATOM 1136 NH1 ARG A 74 15.512 -4.797 -2.943 1.00 0.00 N ATOM 1137 NH2 ARG A 74 17.798 -4.401 -2.871 1.00 0.00 N ATOM 0 H ARG A 74 12.334 -0.501 -5.262 1.00 0.00 H new ATOM 0 HA ARG A 74 14.869 -0.601 -4.085 1.00 0.00 H new ATOM 0 HB2 ARG A 74 13.604 -1.594 -6.620 1.00 0.00 H new ATOM 0 HB3 ARG A 74 15.355 -1.594 -6.545 1.00 0.00 H new ATOM 0 HG2 ARG A 74 14.681 -2.648 -4.060 1.00 0.00 H new ATOM 0 HG3 ARG A 74 13.403 -3.284 -5.076 1.00 0.00 H new ATOM 0 HD2 ARG A 74 14.901 -4.912 -5.654 1.00 0.00 H new ATOM 0 HD3 ARG A 74 15.637 -3.695 -6.678 1.00 0.00 H new ATOM 0 HE ARG A 74 17.484 -3.677 -5.246 1.00 0.00 H new ATOM 0 HH11 ARG A 74 14.630 -4.789 -3.455 1.00 0.00 H new ATOM 0 HH12 ARG A 74 15.536 -5.112 -1.973 1.00 0.00 H new ATOM 0 HH21 ARG A 74 18.656 -4.092 -3.328 1.00 0.00 H new ATOM 0 HH22 ARG A 74 17.821 -4.716 -1.901 1.00 0.00 H new ATOM 1151 N ALA A 75 14.459 1.681 -6.327 1.00 0.00 N ATOM 1152 CA ALA A 75 15.072 2.806 -7.011 1.00 0.00 C ATOM 1153 C ALA A 75 14.961 4.053 -6.131 1.00 0.00 C ATOM 1154 O ALA A 75 15.724 5.004 -6.297 1.00 0.00 O ATOM 1155 CB ALA A 75 14.410 2.997 -8.377 1.00 0.00 C ATOM 0 H ALA A 75 13.440 1.667 -6.357 1.00 0.00 H new ATOM 0 HA ALA A 75 16.131 2.617 -7.186 1.00 0.00 H new ATOM 0 HB1 ALA A 75 14.871 3.841 -8.890 1.00 0.00 H new ATOM 0 HB2 ALA A 75 14.541 2.095 -8.974 1.00 0.00 H new ATOM 0 HB3 ALA A 75 13.346 3.191 -8.242 1.00 0.00 H new ATOM 1161 N ASN A 76 14.007 4.009 -5.214 1.00 0.00 N ATOM 1162 CA ASN A 76 13.787 5.123 -4.308 1.00 0.00 C ATOM 1163 C ASN A 76 13.723 4.601 -2.871 1.00 0.00 C ATOM 1164 O ASN A 76 12.773 3.914 -2.499 1.00 0.00 O ATOM 1165 CB ASN A 76 12.465 5.829 -4.614 1.00 0.00 C ATOM 1166 CG ASN A 76 12.594 7.342 -4.421 1.00 0.00 C ATOM 1167 OD1 ASN A 76 13.679 7.897 -4.375 1.00 0.00 O ATOM 1168 ND2 ASN A 76 11.429 7.975 -4.314 1.00 0.00 N ATOM 0 H ASN A 76 13.377 3.219 -5.079 1.00 0.00 H new ATOM 0 HA ASN A 76 14.609 5.827 -4.434 1.00 0.00 H new ATOM 0 HB2 ASN A 76 12.162 5.614 -5.639 1.00 0.00 H new ATOM 0 HB3 ASN A 76 11.682 5.441 -3.962 1.00 0.00 H new ATOM 0 HD21 ASN A 76 11.408 8.987 -4.185 1.00 0.00 H new ATOM 0 HD22 ASN A 76 10.556 7.449 -4.361 1.00 0.00 H new ATOM 1175 N PRO A 77 14.772 4.956 -2.082 1.00 0.00 N ATOM 1176 CA PRO A 77 14.844 4.531 -0.695 1.00 0.00 C ATOM 1177 C PRO A 77 13.874 5.334 0.175 1.00 0.00 C ATOM 1178 O PRO A 77 13.726 5.056 1.364 1.00 0.00 O ATOM 1179 CB PRO A 77 16.299 4.726 -0.298 1.00 0.00 C ATOM 1180 CG PRO A 77 16.886 5.682 -1.323 1.00 0.00 C ATOM 1181 CD PRO A 77 15.915 5.769 -2.490 1.00 0.00 C ATOM 0 HA PRO A 77 14.544 3.492 -0.557 1.00 0.00 H new ATOM 0 HB2 PRO A 77 16.378 5.136 0.709 1.00 0.00 H new ATOM 0 HB3 PRO A 77 16.834 3.777 -0.298 1.00 0.00 H new ATOM 0 HG2 PRO A 77 17.041 6.666 -0.882 1.00 0.00 H new ATOM 0 HG3 PRO A 77 17.859 5.327 -1.662 1.00 0.00 H new ATOM 0 HD2 PRO A 77 15.619 6.800 -2.683 1.00 0.00 H new ATOM 0 HD3 PRO A 77 16.364 5.389 -3.408 1.00 0.00 H new ATOM 1189 N ALA A 78 13.240 6.314 -0.452 1.00 0.00 N ATOM 1190 CA ALA A 78 12.288 7.158 0.250 1.00 0.00 C ATOM 1191 C ALA A 78 11.025 6.352 0.555 1.00 0.00 C ATOM 1192 O ALA A 78 10.355 6.597 1.557 1.00 0.00 O ATOM 1193 CB ALA A 78 11.997 8.404 -0.588 1.00 0.00 C ATOM 0 H ALA A 78 13.367 6.542 -1.438 1.00 0.00 H new ATOM 0 HA ALA A 78 12.701 7.494 1.201 1.00 0.00 H new ATOM 0 HB1 ALA A 78 11.283 9.038 -0.062 1.00 0.00 H new ATOM 0 HB2 ALA A 78 12.922 8.957 -0.751 1.00 0.00 H new ATOM 0 HB3 ALA A 78 11.578 8.106 -1.549 1.00 0.00 H new ATOM 1199 N THR A 79 10.738 5.406 -0.327 1.00 0.00 N ATOM 1200 CA THR A 79 9.566 4.562 -0.165 1.00 0.00 C ATOM 1201 C THR A 79 9.974 3.171 0.323 1.00 0.00 C ATOM 1202 O THR A 79 9.149 2.261 0.378 1.00 0.00 O ATOM 1203 CB THR A 79 8.809 4.542 -1.494 1.00 0.00 C ATOM 1204 OG1 THR A 79 7.609 3.833 -1.200 1.00 0.00 O ATOM 1205 CG2 THR A 79 9.504 3.678 -2.549 1.00 0.00 C ATOM 0 H THR A 79 11.297 5.205 -1.156 1.00 0.00 H new ATOM 0 HA THR A 79 8.897 4.957 0.600 1.00 0.00 H new ATOM 0 HB THR A 79 8.706 5.560 -1.869 1.00 0.00 H new ATOM 0 HG1 THR A 79 6.837 4.413 -1.366 1.00 0.00 H new ATOM 0 HG21 THR A 79 8.926 3.697 -3.473 1.00 0.00 H new ATOM 0 HG22 THR A 79 10.504 4.068 -2.738 1.00 0.00 H new ATOM 0 HG23 THR A 79 9.577 2.652 -2.188 1.00 0.00 H new ATOM 1213 N LYS A 80 11.249 3.050 0.666 1.00 0.00 N ATOM 1214 CA LYS A 80 11.776 1.784 1.148 1.00 0.00 C ATOM 1215 C LYS A 80 11.079 1.412 2.458 1.00 0.00 C ATOM 1216 O LYS A 80 11.038 0.240 2.831 1.00 0.00 O ATOM 1217 CB LYS A 80 13.301 1.848 1.259 1.00 0.00 C ATOM 1218 CG LYS A 80 13.729 2.476 2.587 1.00 0.00 C ATOM 1219 CD LYS A 80 14.403 1.443 3.492 1.00 0.00 C ATOM 1220 CE LYS A 80 13.363 0.556 4.179 1.00 0.00 C ATOM 1221 NZ LYS A 80 13.908 0.000 5.439 1.00 0.00 N ATOM 0 H LYS A 80 11.931 3.807 0.620 1.00 0.00 H new ATOM 0 HA LYS A 80 11.564 0.986 0.436 1.00 0.00 H new ATOM 0 HB2 LYS A 80 13.717 0.844 1.177 1.00 0.00 H new ATOM 0 HB3 LYS A 80 13.705 2.430 0.431 1.00 0.00 H new ATOM 0 HG2 LYS A 80 14.415 3.302 2.398 1.00 0.00 H new ATOM 0 HG3 LYS A 80 12.859 2.894 3.092 1.00 0.00 H new ATOM 0 HD2 LYS A 80 15.081 0.825 2.903 1.00 0.00 H new ATOM 0 HD3 LYS A 80 15.007 1.951 4.244 1.00 0.00 H new ATOM 0 HE2 LYS A 80 12.464 1.135 4.389 1.00 0.00 H new ATOM 0 HE3 LYS A 80 13.071 -0.256 3.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 13.190 -0.600 5.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 14.753 -0.569 5.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 14.164 0.778 6.080 1.00 0.00 H new ATOM 1235 N LYS A 81 10.550 2.429 3.120 1.00 0.00 N ATOM 1236 CA LYS A 81 9.856 2.223 4.380 1.00 0.00 C ATOM 1237 C LYS A 81 8.346 2.269 4.140 1.00 0.00 C ATOM 1238 O LYS A 81 7.563 2.267 5.089 1.00 0.00 O ATOM 1239 CB LYS A 81 10.343 3.224 5.429 1.00 0.00 C ATOM 1240 CG LYS A 81 9.858 4.638 5.105 1.00 0.00 C ATOM 1241 CD LYS A 81 11.031 5.619 5.041 1.00 0.00 C ATOM 1242 CE LYS A 81 10.584 7.032 5.422 1.00 0.00 C ATOM 1243 NZ LYS A 81 10.543 7.903 4.226 1.00 0.00 N ATOM 0 H LYS A 81 10.588 3.399 2.808 1.00 0.00 H new ATOM 0 HA LYS A 81 10.084 1.237 4.784 1.00 0.00 H new ATOM 0 HB2 LYS A 81 9.982 2.929 6.414 1.00 0.00 H new ATOM 0 HB3 LYS A 81 11.432 3.210 5.472 1.00 0.00 H new ATOM 0 HG2 LYS A 81 9.329 4.635 4.152 1.00 0.00 H new ATOM 0 HG3 LYS A 81 9.147 4.965 5.863 1.00 0.00 H new ATOM 0 HD2 LYS A 81 11.822 5.290 5.714 1.00 0.00 H new ATOM 0 HD3 LYS A 81 11.451 5.625 4.035 1.00 0.00 H new ATOM 0 HE2 LYS A 81 9.599 6.995 5.886 1.00 0.00 H new ATOM 0 HE3 LYS A 81 11.269 7.450 6.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 9.725 8.542 4.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 11.418 8.464 4.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 10.457 7.316 3.372 1.00 0.00 H new ATOM 1257 N ALA A 82 7.982 2.308 2.867 1.00 0.00 N ATOM 1258 CA ALA A 82 6.580 2.354 2.490 1.00 0.00 C ATOM 1259 C ALA A 82 6.067 0.929 2.272 1.00 0.00 C ATOM 1260 O ALA A 82 6.607 0.191 1.448 1.00 0.00 O ATOM 1261 CB ALA A 82 6.414 3.230 1.247 1.00 0.00 C ATOM 0 H ALA A 82 8.634 2.309 2.083 1.00 0.00 H new ATOM 0 HA ALA A 82 5.984 2.800 3.286 1.00 0.00 H new ATOM 0 HB1 ALA A 82 5.362 3.265 0.964 1.00 0.00 H new ATOM 0 HB2 ALA A 82 6.765 4.239 1.463 1.00 0.00 H new ATOM 0 HB3 ALA A 82 6.997 2.811 0.426 1.00 0.00 H new ATOM 1267 N ALA A 83 5.033 0.585 3.023 1.00 0.00 N ATOM 1268 CA ALA A 83 4.442 -0.739 2.922 1.00 0.00 C ATOM 1269 C ALA A 83 3.331 -0.718 1.869 1.00 0.00 C ATOM 1270 O ALA A 83 2.377 0.049 1.984 1.00 0.00 O ATOM 1271 CB ALA A 83 3.933 -1.177 4.297 1.00 0.00 C ATOM 0 H ALA A 83 4.588 1.200 3.705 1.00 0.00 H new ATOM 0 HA ALA A 83 5.186 -1.468 2.602 1.00 0.00 H new ATOM 0 HB1 ALA A 83 3.490 -2.170 4.222 1.00 0.00 H new ATOM 0 HB2 ALA A 83 4.764 -1.203 5.001 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.182 -0.470 4.649 1.00 0.00 H new ATOM 1277 N PHE A 84 3.494 -1.570 0.867 1.00 0.00 N ATOM 1278 CA PHE A 84 2.518 -1.658 -0.205 1.00 0.00 C ATOM 1279 C PHE A 84 1.550 -2.820 0.028 1.00 0.00 C ATOM 1280 O PHE A 84 1.913 -3.820 0.646 1.00 0.00 O ATOM 1281 CB PHE A 84 3.295 -1.910 -1.498 1.00 0.00 C ATOM 1282 CG PHE A 84 4.814 -1.922 -1.319 1.00 0.00 C ATOM 1283 CD1 PHE A 84 5.478 -0.765 -1.054 1.00 0.00 C ATOM 1284 CD2 PHE A 84 5.501 -3.091 -1.424 1.00 0.00 C ATOM 1285 CE1 PHE A 84 6.888 -0.777 -0.886 1.00 0.00 C ATOM 1286 CE2 PHE A 84 6.912 -3.104 -1.257 1.00 0.00 C ATOM 1287 CZ PHE A 84 7.575 -1.946 -0.992 1.00 0.00 C ATOM 0 H PHE A 84 4.287 -2.205 0.775 1.00 0.00 H new ATOM 0 HA PHE A 84 1.935 -0.738 -0.253 1.00 0.00 H new ATOM 0 HB2 PHE A 84 2.981 -2.866 -1.918 1.00 0.00 H new ATOM 0 HB3 PHE A 84 3.031 -1.141 -2.224 1.00 0.00 H new ATOM 0 HD1 PHE A 84 4.933 0.163 -0.971 1.00 0.00 H new ATOM 0 HD2 PHE A 84 4.974 -4.010 -1.634 1.00 0.00 H new ATOM 0 HE1 PHE A 84 7.415 0.142 -0.674 1.00 0.00 H new ATOM 0 HE2 PHE A 84 7.458 -4.032 -1.340 1.00 0.00 H new ATOM 0 HZ PHE A 84 8.648 -1.955 -0.866 1.00 0.00 H new ATOM 1297 N ILE A 85 0.338 -2.650 -0.476 1.00 0.00 N ATOM 1298 CA ILE A 85 -0.685 -3.672 -0.331 1.00 0.00 C ATOM 1299 C ILE A 85 -1.178 -4.096 -1.715 1.00 0.00 C ATOM 1300 O ILE A 85 -1.435 -3.252 -2.572 1.00 0.00 O ATOM 1301 CB ILE A 85 -1.800 -3.186 0.597 1.00 0.00 C ATOM 1302 CG1 ILE A 85 -1.633 -3.761 2.005 1.00 0.00 C ATOM 1303 CG2 ILE A 85 -3.177 -3.500 0.009 1.00 0.00 C ATOM 1304 CD1 ILE A 85 -1.277 -2.661 3.007 1.00 0.00 C ATOM 0 H ILE A 85 0.040 -1.819 -0.986 1.00 0.00 H new ATOM 0 HA ILE A 85 -0.270 -4.561 0.145 1.00 0.00 H new ATOM 0 HB ILE A 85 -1.725 -2.102 0.682 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -2.556 -4.253 2.312 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -0.852 -4.521 2.001 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -3.952 -3.144 0.688 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -3.283 -3.003 -0.955 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -3.278 -4.577 -0.125 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -1.164 -3.096 4.000 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -0.342 -2.187 2.710 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -2.072 -1.915 3.026 1.00 0.00 H new ATOM 1316 N ILE A 86 -1.294 -5.404 -1.892 1.00 0.00 N ATOM 1317 CA ILE A 86 -1.752 -5.951 -3.158 1.00 0.00 C ATOM 1318 C ILE A 86 -2.855 -6.977 -2.896 1.00 0.00 C ATOM 1319 O ILE A 86 -2.603 -8.030 -2.312 1.00 0.00 O ATOM 1320 CB ILE A 86 -0.572 -6.506 -3.960 1.00 0.00 C ATOM 1321 CG1 ILE A 86 -0.835 -6.405 -5.463 1.00 0.00 C ATOM 1322 CG2 ILE A 86 -0.244 -7.937 -3.531 1.00 0.00 C ATOM 1323 CD1 ILE A 86 -1.769 -7.521 -5.934 1.00 0.00 C ATOM 0 H ILE A 86 -1.079 -6.101 -1.179 1.00 0.00 H new ATOM 0 HA ILE A 86 -2.187 -5.167 -3.777 1.00 0.00 H new ATOM 0 HB ILE A 86 0.305 -5.895 -3.745 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.276 -5.435 -5.694 1.00 0.00 H new ATOM 0 HG13 ILE A 86 0.109 -6.463 -6.005 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.598 -8.308 -4.116 1.00 0.00 H new ATOM 0 HG22 ILE A 86 0.016 -7.949 -2.473 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.112 -8.575 -3.699 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -1.939 -7.425 -7.006 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.314 -8.489 -5.724 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -2.721 -7.445 -5.408 1.00 0.00 H new ATOM 1335 N LEU A 87 -4.055 -6.635 -3.343 1.00 0.00 N ATOM 1336 CA LEU A 87 -5.199 -7.514 -3.164 1.00 0.00 C ATOM 1337 C LEU A 87 -5.382 -8.367 -4.421 1.00 0.00 C ATOM 1338 O LEU A 87 -5.415 -7.842 -5.532 1.00 0.00 O ATOM 1339 CB LEU A 87 -6.441 -6.706 -2.783 1.00 0.00 C ATOM 1340 CG LEU A 87 -7.549 -6.643 -3.837 1.00 0.00 C ATOM 1341 CD1 LEU A 87 -7.051 -5.968 -5.116 1.00 0.00 C ATOM 1342 CD2 LEU A 87 -8.126 -8.033 -4.109 1.00 0.00 C ATOM 0 H LEU A 87 -4.260 -5.762 -3.829 1.00 0.00 H new ATOM 0 HA LEU A 87 -5.027 -8.200 -2.335 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -6.859 -7.129 -1.870 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -6.130 -5.688 -2.550 1.00 0.00 H new ATOM 0 HG LEU A 87 -8.360 -6.029 -3.444 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.858 -5.936 -5.848 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.727 -4.952 -4.889 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.213 -6.534 -5.523 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -8.911 -7.960 -4.861 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -7.336 -8.690 -4.472 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -8.543 -8.441 -3.188 1.00 0.00 H new ATOM 1354 N THR A 88 -5.495 -9.669 -4.201 1.00 0.00 N ATOM 1355 CA THR A 88 -5.674 -10.601 -5.302 1.00 0.00 C ATOM 1356 C THR A 88 -6.450 -11.834 -4.837 1.00 0.00 C ATOM 1357 O THR A 88 -6.535 -12.104 -3.640 1.00 0.00 O ATOM 1358 CB THR A 88 -4.293 -10.931 -5.871 1.00 0.00 C ATOM 1359 OG1 THR A 88 -4.475 -12.186 -6.519 1.00 0.00 O ATOM 1360 CG2 THR A 88 -3.263 -11.223 -4.777 1.00 0.00 C ATOM 0 H THR A 88 -5.466 -10.100 -3.277 1.00 0.00 H new ATOM 0 HA THR A 88 -6.273 -10.161 -6.099 1.00 0.00 H new ATOM 0 HB THR A 88 -3.946 -10.100 -6.484 1.00 0.00 H new ATOM 0 HG1 THR A 88 -3.625 -12.479 -6.909 1.00 0.00 H new ATOM 0 HG21 THR A 88 -2.301 -11.451 -5.235 1.00 0.00 H new ATOM 0 HG22 THR A 88 -3.160 -10.350 -4.132 1.00 0.00 H new ATOM 0 HG23 THR A 88 -3.594 -12.076 -4.184 1.00 0.00 H new ATOM 1368 N ALA A 89 -6.998 -12.550 -5.808 1.00 0.00 N ATOM 1369 CA ALA A 89 -7.765 -13.748 -5.513 1.00 0.00 C ATOM 1370 C ALA A 89 -6.806 -14.905 -5.226 1.00 0.00 C ATOM 1371 O ALA A 89 -7.062 -16.041 -5.621 1.00 0.00 O ATOM 1372 CB ALA A 89 -8.709 -14.049 -6.678 1.00 0.00 C ATOM 0 H ALA A 89 -6.926 -12.323 -6.800 1.00 0.00 H new ATOM 0 HA ALA A 89 -8.379 -13.601 -4.625 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -9.285 -14.948 -6.457 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -9.389 -13.209 -6.822 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -8.127 -14.205 -7.587 1.00 0.00 H new ATOM 1378 N GLN A 90 -5.720 -14.575 -4.542 1.00 0.00 N ATOM 1379 CA GLN A 90 -4.721 -15.573 -4.198 1.00 0.00 C ATOM 1380 C GLN A 90 -4.473 -15.576 -2.687 1.00 0.00 C ATOM 1381 O GLN A 90 -4.645 -16.600 -2.029 1.00 0.00 O ATOM 1382 CB GLN A 90 -3.420 -15.333 -4.966 1.00 0.00 C ATOM 1383 CG GLN A 90 -3.548 -15.797 -6.419 1.00 0.00 C ATOM 1384 CD GLN A 90 -3.773 -14.610 -7.357 1.00 0.00 C ATOM 1385 OE1 GLN A 90 -2.691 -13.864 -7.553 1.00 0.00 O flip ATOM 1386 NE2 GLN A 90 -4.858 -14.386 -7.868 1.00 0.00 N flip ATOM 0 H GLN A 90 -5.510 -13.631 -4.217 1.00 0.00 H new ATOM 0 HA GLN A 90 -5.100 -16.553 -4.487 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -3.168 -14.273 -4.940 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -2.603 -15.867 -4.481 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -2.645 -16.332 -6.714 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -4.378 -16.498 -6.509 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -5.649 -15.000 -7.675 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -4.974 -13.585 -8.488 1.00 0.00 H new ATOM 1395 N GLY A 91 -4.072 -14.418 -2.184 1.00 0.00 N ATOM 1396 CA GLY A 91 -3.799 -14.274 -0.763 1.00 0.00 C ATOM 1397 C GLY A 91 -2.973 -15.453 -0.243 1.00 0.00 C ATOM 1398 O GLY A 91 -3.483 -16.295 0.494 1.00 0.00 O ATOM 0 H GLY A 91 -3.929 -13.571 -2.734 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -3.263 -13.342 -0.584 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -4.738 -14.212 -0.213 1.00 0.00 H new ATOM 1402 N ASP A 92 -1.711 -15.474 -0.646 1.00 0.00 N ATOM 1403 CA ASP A 92 -0.810 -16.535 -0.230 1.00 0.00 C ATOM 1404 C ASP A 92 0.437 -15.919 0.405 1.00 0.00 C ATOM 1405 O ASP A 92 1.165 -15.171 -0.246 1.00 0.00 O ATOM 1406 CB ASP A 92 -0.364 -17.381 -1.425 1.00 0.00 C ATOM 1407 CG ASP A 92 -0.774 -18.853 -1.365 1.00 0.00 C ATOM 1408 OD1 ASP A 92 -0.737 -19.408 -0.245 1.00 0.00 O ATOM 1409 OD2 ASP A 92 -1.119 -19.391 -2.440 1.00 0.00 O ATOM 0 H ASP A 92 -1.291 -14.773 -1.256 1.00 0.00 H new ATOM 0 HA ASP A 92 -1.341 -17.168 0.481 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -0.774 -16.942 -2.335 1.00 0.00 H new ATOM 0 HB3 ASP A 92 0.722 -17.325 -1.505 1.00 0.00 H new ATOM 1414 N ARG A 93 0.647 -16.255 1.669 1.00 0.00 N ATOM 1415 CA ARG A 93 1.794 -15.743 2.400 1.00 0.00 C ATOM 1416 C ARG A 93 3.088 -16.071 1.653 1.00 0.00 C ATOM 1417 O ARG A 93 4.093 -15.381 1.813 1.00 0.00 O ATOM 1418 CB ARG A 93 1.861 -16.340 3.808 1.00 0.00 C ATOM 1419 CG ARG A 93 0.494 -16.284 4.493 1.00 0.00 C ATOM 1420 CD ARG A 93 0.573 -15.512 5.812 1.00 0.00 C ATOM 1421 NE ARG A 93 -0.151 -16.248 6.873 1.00 0.00 N ATOM 1422 CZ ARG A 93 -0.590 -15.689 8.008 1.00 0.00 C ATOM 1423 NH1 ARG A 93 -0.381 -14.384 8.237 1.00 0.00 N ATOM 1424 NH2 ARG A 93 -1.238 -16.433 8.916 1.00 0.00 N ATOM 0 H ARG A 93 0.042 -16.876 2.206 1.00 0.00 H new ATOM 0 HA ARG A 93 1.680 -14.662 2.481 1.00 0.00 H new ATOM 0 HB2 ARG A 93 2.202 -17.374 3.753 1.00 0.00 H new ATOM 0 HB3 ARG A 93 2.593 -15.794 4.404 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -0.229 -15.807 3.831 1.00 0.00 H new ATOM 0 HG3 ARG A 93 0.136 -17.296 4.681 1.00 0.00 H new ATOM 0 HD2 ARG A 93 1.615 -15.374 6.100 1.00 0.00 H new ATOM 0 HD3 ARG A 93 0.142 -14.519 5.688 1.00 0.00 H new ATOM 0 HE ARG A 93 -0.326 -17.243 6.731 1.00 0.00 H new ATOM 0 HH11 ARG A 93 0.112 -13.818 7.547 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -0.715 -13.958 9.101 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -1.397 -17.426 8.742 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -1.572 -16.006 9.780 1.00 0.00 H new ATOM 1438 N ALA A 94 3.021 -17.124 0.852 1.00 0.00 N ATOM 1439 CA ALA A 94 4.175 -17.552 0.079 1.00 0.00 C ATOM 1440 C ALA A 94 4.597 -16.424 -0.866 1.00 0.00 C ATOM 1441 O ALA A 94 5.774 -16.074 -0.935 1.00 0.00 O ATOM 1442 CB ALA A 94 3.839 -18.844 -0.669 1.00 0.00 C ATOM 0 H ALA A 94 2.185 -17.694 0.721 1.00 0.00 H new ATOM 0 HA ALA A 94 5.018 -17.766 0.735 1.00 0.00 H new ATOM 0 HB1 ALA A 94 4.705 -19.165 -1.249 1.00 0.00 H new ATOM 0 HB2 ALA A 94 3.574 -19.621 0.048 1.00 0.00 H new ATOM 0 HB3 ALA A 94 2.998 -18.668 -1.340 1.00 0.00 H new ATOM 1448 N LEU A 95 3.612 -15.886 -1.571 1.00 0.00 N ATOM 1449 CA LEU A 95 3.866 -14.806 -2.508 1.00 0.00 C ATOM 1450 C LEU A 95 4.282 -13.553 -1.734 1.00 0.00 C ATOM 1451 O LEU A 95 5.117 -12.779 -2.201 1.00 0.00 O ATOM 1452 CB LEU A 95 2.657 -14.592 -3.419 1.00 0.00 C ATOM 1453 CG LEU A 95 2.701 -15.305 -4.771 1.00 0.00 C ATOM 1454 CD1 LEU A 95 2.674 -16.825 -4.591 1.00 0.00 C ATOM 1455 CD2 LEU A 95 1.576 -14.817 -5.687 1.00 0.00 C ATOM 0 H LEU A 95 2.637 -16.178 -1.512 1.00 0.00 H new ATOM 0 HA LEU A 95 4.693 -15.062 -3.170 1.00 0.00 H new ATOM 0 HB2 LEU A 95 1.764 -14.920 -2.887 1.00 0.00 H new ATOM 0 HB3 LEU A 95 2.547 -13.522 -3.598 1.00 0.00 H new ATOM 0 HG LEU A 95 3.644 -15.054 -5.258 1.00 0.00 H new ATOM 0 HD11 LEU A 95 2.706 -17.308 -5.568 1.00 0.00 H new ATOM 0 HD12 LEU A 95 3.537 -17.137 -4.003 1.00 0.00 H new ATOM 0 HD13 LEU A 95 1.759 -17.114 -4.074 1.00 0.00 H new ATOM 0 HD21 LEU A 95 1.631 -15.340 -6.641 1.00 0.00 H new ATOM 0 HD22 LEU A 95 0.612 -15.017 -5.218 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.682 -13.745 -5.854 1.00 0.00 H new ATOM 1467 N VAL A 96 3.682 -13.391 -0.564 1.00 0.00 N ATOM 1468 CA VAL A 96 3.980 -12.245 0.278 1.00 0.00 C ATOM 1469 C VAL A 96 5.460 -12.273 0.664 1.00 0.00 C ATOM 1470 O VAL A 96 6.151 -11.261 0.559 1.00 0.00 O ATOM 1471 CB VAL A 96 3.046 -12.231 1.491 1.00 0.00 C ATOM 1472 CG1 VAL A 96 3.335 -11.028 2.390 1.00 0.00 C ATOM 1473 CG2 VAL A 96 1.580 -12.250 1.054 1.00 0.00 C ATOM 0 H VAL A 96 2.991 -14.035 -0.179 1.00 0.00 H new ATOM 0 HA VAL A 96 3.803 -11.316 -0.264 1.00 0.00 H new ATOM 0 HB VAL A 96 3.234 -13.135 2.070 1.00 0.00 H new ATOM 0 HG11 VAL A 96 2.658 -11.041 3.244 1.00 0.00 H new ATOM 0 HG12 VAL A 96 4.365 -11.076 2.743 1.00 0.00 H new ATOM 0 HG13 VAL A 96 3.188 -10.108 1.825 1.00 0.00 H new ATOM 0 HG21 VAL A 96 0.938 -12.240 1.935 1.00 0.00 H new ATOM 0 HG22 VAL A 96 1.371 -11.372 0.442 1.00 0.00 H new ATOM 0 HG23 VAL A 96 1.385 -13.152 0.473 1.00 0.00 H new ATOM 1483 N GLN A 97 5.904 -13.442 1.103 1.00 0.00 N ATOM 1484 CA GLN A 97 7.289 -13.615 1.504 1.00 0.00 C ATOM 1485 C GLN A 97 8.202 -13.617 0.276 1.00 0.00 C ATOM 1486 O GLN A 97 9.354 -13.195 0.354 1.00 0.00 O ATOM 1487 CB GLN A 97 7.467 -14.895 2.322 1.00 0.00 C ATOM 1488 CG GLN A 97 7.961 -14.579 3.735 1.00 0.00 C ATOM 1489 CD GLN A 97 9.450 -14.902 3.881 1.00 0.00 C ATOM 1490 OE1 GLN A 97 9.884 -16.031 3.724 1.00 0.00 O ATOM 1491 NE2 GLN A 97 10.204 -13.850 4.190 1.00 0.00 N ATOM 0 H GLN A 97 5.328 -14.279 1.190 1.00 0.00 H new ATOM 0 HA GLN A 97 7.570 -12.775 2.139 1.00 0.00 H new ATOM 0 HB2 GLN A 97 6.519 -15.431 2.376 1.00 0.00 H new ATOM 0 HB3 GLN A 97 8.178 -15.554 1.823 1.00 0.00 H new ATOM 0 HG2 GLN A 97 7.790 -13.525 3.957 1.00 0.00 H new ATOM 0 HG3 GLN A 97 7.388 -15.154 4.462 1.00 0.00 H new ATOM 0 HE21 GLN A 97 9.775 -12.932 4.307 1.00 0.00 H new ATOM 0 HE22 GLN A 97 11.211 -13.962 4.310 1.00 0.00 H new ATOM 1500 N LYS A 98 7.651 -14.097 -0.830 1.00 0.00 N ATOM 1501 CA LYS A 98 8.401 -14.159 -2.073 1.00 0.00 C ATOM 1502 C LYS A 98 8.837 -12.748 -2.472 1.00 0.00 C ATOM 1503 O LYS A 98 10.024 -12.494 -2.668 1.00 0.00 O ATOM 1504 CB LYS A 98 7.590 -14.880 -3.152 1.00 0.00 C ATOM 1505 CG LYS A 98 8.505 -15.436 -4.245 1.00 0.00 C ATOM 1506 CD LYS A 98 7.750 -15.585 -5.568 1.00 0.00 C ATOM 1507 CE LYS A 98 7.631 -17.056 -5.969 1.00 0.00 C ATOM 1508 NZ LYS A 98 6.423 -17.272 -6.795 1.00 0.00 N ATOM 0 H LYS A 98 6.695 -14.446 -0.891 1.00 0.00 H new ATOM 0 HA LYS A 98 9.309 -14.748 -1.941 1.00 0.00 H new ATOM 0 HB2 LYS A 98 7.020 -15.693 -2.702 1.00 0.00 H new ATOM 0 HB3 LYS A 98 6.869 -14.191 -3.592 1.00 0.00 H new ATOM 0 HG2 LYS A 98 9.359 -14.772 -4.382 1.00 0.00 H new ATOM 0 HG3 LYS A 98 8.900 -16.404 -3.936 1.00 0.00 H new ATOM 0 HD2 LYS A 98 6.756 -15.148 -5.474 1.00 0.00 H new ATOM 0 HD3 LYS A 98 8.269 -15.032 -6.351 1.00 0.00 H new ATOM 0 HE2 LYS A 98 8.518 -17.360 -6.525 1.00 0.00 H new ATOM 0 HE3 LYS A 98 7.585 -17.680 -5.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 6.358 -18.276 -7.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 5.578 -17.001 -6.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 6.483 -16.691 -7.656 1.00 0.00 H new ATOM 1522 N ALA A 99 7.853 -11.867 -2.580 1.00 0.00 N ATOM 1523 CA ALA A 99 8.121 -10.488 -2.952 1.00 0.00 C ATOM 1524 C ALA A 99 8.745 -9.756 -1.763 1.00 0.00 C ATOM 1525 O ALA A 99 9.759 -9.075 -1.911 1.00 0.00 O ATOM 1526 CB ALA A 99 6.827 -9.828 -3.430 1.00 0.00 C ATOM 0 H ALA A 99 6.869 -12.081 -2.416 1.00 0.00 H new ATOM 0 HA ALA A 99 8.833 -10.444 -3.776 1.00 0.00 H new ATOM 0 HB1 ALA A 99 7.028 -8.794 -3.709 1.00 0.00 H new ATOM 0 HB2 ALA A 99 6.440 -10.369 -4.294 1.00 0.00 H new ATOM 0 HB3 ALA A 99 6.089 -9.851 -2.628 1.00 0.00 H new ATOM 1532 N ALA A 100 8.112 -9.919 -0.610 1.00 0.00 N ATOM 1533 CA ALA A 100 8.592 -9.281 0.604 1.00 0.00 C ATOM 1534 C ALA A 100 10.066 -9.634 0.812 1.00 0.00 C ATOM 1535 O ALA A 100 10.812 -8.867 1.417 1.00 0.00 O ATOM 1536 CB ALA A 100 7.718 -9.709 1.785 1.00 0.00 C ATOM 0 H ALA A 100 7.271 -10.484 -0.491 1.00 0.00 H new ATOM 0 HA ALA A 100 8.521 -8.196 0.522 1.00 0.00 H new ATOM 0 HB1 ALA A 100 8.078 -9.231 2.696 1.00 0.00 H new ATOM 0 HB2 ALA A 100 6.686 -9.410 1.601 1.00 0.00 H new ATOM 0 HB3 ALA A 100 7.767 -10.792 1.900 1.00 0.00 H new ATOM 1542 N ALA A 101 10.441 -10.797 0.299 1.00 0.00 N ATOM 1543 CA ALA A 101 11.812 -11.260 0.420 1.00 0.00 C ATOM 1544 C ALA A 101 12.584 -10.895 -0.849 1.00 0.00 C ATOM 1545 O ALA A 101 13.811 -10.804 -0.829 1.00 0.00 O ATOM 1546 CB ALA A 101 11.821 -12.766 0.694 1.00 0.00 C ATOM 0 H ALA A 101 9.819 -11.432 -0.201 1.00 0.00 H new ATOM 0 HA ALA A 101 12.308 -10.772 1.259 1.00 0.00 H new ATOM 0 HB1 ALA A 101 12.850 -13.113 0.785 1.00 0.00 H new ATOM 0 HB2 ALA A 101 11.286 -12.970 1.621 1.00 0.00 H new ATOM 0 HB3 ALA A 101 11.333 -13.288 -0.129 1.00 0.00 H new ATOM 1552 N LEU A 102 11.834 -10.697 -1.923 1.00 0.00 N ATOM 1553 CA LEU A 102 12.433 -10.344 -3.199 1.00 0.00 C ATOM 1554 C LEU A 102 13.070 -8.957 -3.093 1.00 0.00 C ATOM 1555 O LEU A 102 13.947 -8.610 -3.883 1.00 0.00 O ATOM 1556 CB LEU A 102 11.403 -10.464 -4.325 1.00 0.00 C ATOM 1557 CG LEU A 102 11.946 -10.320 -5.748 1.00 0.00 C ATOM 1558 CD1 LEU A 102 12.307 -8.865 -6.053 1.00 0.00 C ATOM 1559 CD2 LEU A 102 13.127 -11.264 -5.983 1.00 0.00 C ATOM 0 H LEU A 102 10.817 -10.774 -1.936 1.00 0.00 H new ATOM 0 HA LEU A 102 13.231 -11.042 -3.452 1.00 0.00 H new ATOM 0 HB2 LEU A 102 10.913 -11.434 -4.241 1.00 0.00 H new ATOM 0 HB3 LEU A 102 10.636 -9.705 -4.171 1.00 0.00 H new ATOM 0 HG LEU A 102 11.159 -10.609 -6.444 1.00 0.00 H new ATOM 0 HD11 LEU A 102 12.690 -8.791 -7.071 1.00 0.00 H new ATOM 0 HD12 LEU A 102 11.419 -8.241 -5.954 1.00 0.00 H new ATOM 0 HD13 LEU A 102 13.070 -8.525 -5.352 1.00 0.00 H new ATOM 0 HD21 LEU A 102 13.494 -11.141 -7.002 1.00 0.00 H new ATOM 0 HD22 LEU A 102 13.926 -11.030 -5.279 1.00 0.00 H new ATOM 0 HD23 LEU A 102 12.804 -12.295 -5.835 1.00 0.00 H new ATOM 1571 N GLY A 103 12.603 -8.201 -2.110 1.00 0.00 N ATOM 1572 CA GLY A 103 13.115 -6.859 -1.891 1.00 0.00 C ATOM 1573 C GLY A 103 12.028 -5.941 -1.329 1.00 0.00 C ATOM 1574 O GLY A 103 12.328 -4.952 -0.664 1.00 0.00 O ATOM 0 H GLY A 103 11.876 -8.492 -1.457 1.00 0.00 H new ATOM 0 HA2 GLY A 103 13.957 -6.896 -1.200 1.00 0.00 H new ATOM 0 HA3 GLY A 103 13.490 -6.452 -2.830 1.00 0.00 H new ATOM 1578 N ALA A 104 10.786 -6.303 -1.618 1.00 0.00 N ATOM 1579 CA ALA A 104 9.652 -5.525 -1.151 1.00 0.00 C ATOM 1580 C ALA A 104 9.815 -5.241 0.343 1.00 0.00 C ATOM 1581 O ALA A 104 10.458 -6.007 1.058 1.00 0.00 O ATOM 1582 CB ALA A 104 8.354 -6.273 -1.464 1.00 0.00 C ATOM 0 H ALA A 104 10.541 -7.125 -2.170 1.00 0.00 H new ATOM 0 HA ALA A 104 9.607 -4.566 -1.667 1.00 0.00 H new ATOM 0 HB1 ALA A 104 7.504 -5.688 -1.113 1.00 0.00 H new ATOM 0 HB2 ALA A 104 8.271 -6.424 -2.540 1.00 0.00 H new ATOM 0 HB3 ALA A 104 8.361 -7.240 -0.962 1.00 0.00 H new ATOM 1588 N ASN A 105 9.220 -4.137 0.772 1.00 0.00 N ATOM 1589 CA ASN A 105 9.291 -3.742 2.168 1.00 0.00 C ATOM 1590 C ASN A 105 8.158 -4.419 2.943 1.00 0.00 C ATOM 1591 O ASN A 105 8.353 -4.863 4.073 1.00 0.00 O ATOM 1592 CB ASN A 105 9.131 -2.229 2.322 1.00 0.00 C ATOM 1593 CG ASN A 105 9.616 -1.762 3.696 1.00 0.00 C ATOM 1594 OD1 ASN A 105 10.792 -1.811 4.018 1.00 0.00 O ATOM 1595 ND2 ASN A 105 8.647 -1.309 4.487 1.00 0.00 N ATOM 0 H ASN A 105 8.686 -3.504 0.176 1.00 0.00 H new ATOM 0 HA ASN A 105 10.265 -4.042 2.554 1.00 0.00 H new ATOM 0 HB2 ASN A 105 9.695 -1.719 1.541 1.00 0.00 H new ATOM 0 HB3 ASN A 105 8.084 -1.955 2.190 1.00 0.00 H new ATOM 0 HD21 ASN A 105 8.869 -0.975 5.425 1.00 0.00 H new ATOM 0 HD22 ASN A 105 7.683 -1.295 4.155 1.00 0.00 H new ATOM 1602 N ASN A 106 6.999 -4.476 2.304 1.00 0.00 N ATOM 1603 CA ASN A 106 5.834 -5.090 2.919 1.00 0.00 C ATOM 1604 C ASN A 106 4.713 -5.198 1.884 1.00 0.00 C ATOM 1605 O ASN A 106 4.342 -4.206 1.260 1.00 0.00 O ATOM 1606 CB ASN A 106 5.319 -4.248 4.087 1.00 0.00 C ATOM 1607 CG ASN A 106 5.612 -4.927 5.426 1.00 0.00 C ATOM 1608 OD1 ASN A 106 6.103 -6.043 5.491 1.00 0.00 O ATOM 1609 ND2 ASN A 106 5.284 -4.197 6.487 1.00 0.00 N ATOM 0 H ASN A 106 6.841 -4.107 1.366 1.00 0.00 H new ATOM 0 HA ASN A 106 6.126 -6.074 3.285 1.00 0.00 H new ATOM 0 HB2 ASN A 106 5.787 -3.264 4.064 1.00 0.00 H new ATOM 0 HB3 ASN A 106 4.245 -4.092 3.982 1.00 0.00 H new ATOM 0 HD21 ASN A 106 5.440 -4.564 7.426 1.00 0.00 H new ATOM 0 HD22 ASN A 106 4.877 -3.270 6.362 1.00 0.00 H new