USER MOD reduce.3.24.130724 H: found=0, std=0, add=756, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 758 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 33 TYR OH : rot 103:sc= 0.94 USER MOD Set 1.2: A 70 HIS : no HD1:sc= -2.73! C(o=-1.8!,f=-11!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 HIS : no HD1:sc= -1.85 K(o=-1.8,f=-2.6!) USER MOD Single : A 12 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.144) USER MOD Single : A 19 ASN : amide:sc= -0.533 X(o=-0.53,f=-0.36) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot -39:sc= 0.839 USER MOD Single : A 27 TYR OH : rot -178:sc= -0.991 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 HIS : no HD1:sc= -1.83 K(o=-1.8,f=-6.4!) USER MOD Single : A 35 GLN : amide:sc= -0.0177 X(o=-0.018,f=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl -167:sc= -2.95 (180deg=-3.27!) USER MOD Single : A 47 LYS NZ :NH3+ 161:sc= -0.0138 (180deg=-0.163) USER MOD Single : A 51 ASN : amide:sc=-0.00208 X(o=-0.0021,f=-0.28) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN :FLIP amide:sc= 0.872 F(o=-0.9,f=0.87) USER MOD Single : A 74 TYR OH : rot 114:sc= -1.94 USER MOD Single : A 76 GLN : amide:sc=-0.00176 K(o=-0.0018,f=-0.74) USER MOD Single : B 104 TYR OH : rot 180:sc= 0 USER MOD Single : B 110 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : B 112 TYR OH : rot 180:sc= 0 USER MOD Single : B 114 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 32 N ARG A 3 -16.566 3.693 2.116 1.00 0.00 N ATOM 33 CA ARG A 3 -17.318 2.446 2.157 1.00 0.00 C ATOM 34 C ARG A 3 -17.032 1.600 0.920 1.00 0.00 C ATOM 35 O ARG A 3 -16.681 0.425 1.028 1.00 0.00 O ATOM 36 CB ARG A 3 -18.816 2.738 2.257 1.00 0.00 C ATOM 37 CG ARG A 3 -19.681 1.489 2.239 1.00 0.00 C ATOM 38 CD ARG A 3 -21.159 1.830 2.345 1.00 0.00 C ATOM 39 NE ARG A 3 -21.577 2.032 3.729 1.00 0.00 N ATOM 40 CZ ARG A 3 -22.693 2.666 4.083 1.00 0.00 C ATOM 41 NH1 ARG A 3 -23.505 3.160 3.155 1.00 0.00 N ATOM 42 NH2 ARG A 3 -23.000 2.805 5.365 1.00 0.00 N ATOM 0 HA ARG A 3 -17.004 1.885 3.038 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -19.009 3.291 3.176 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -19.108 3.384 1.429 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -19.500 0.934 1.319 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -19.397 0.837 3.065 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -21.365 2.732 1.769 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -21.749 1.027 1.902 1.00 0.00 H new ATOM 0 HE ARG A 3 -20.978 1.666 4.469 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -23.275 3.054 2.167 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -24.359 3.645 3.430 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -22.381 2.426 6.082 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -23.855 3.291 5.635 1.00 0.00 H new ATOM 56 N LYS A 4 -17.184 2.205 -0.253 1.00 0.00 N ATOM 57 CA LYS A 4 -16.944 1.509 -1.511 1.00 0.00 C ATOM 58 C LYS A 4 -15.453 1.302 -1.743 1.00 0.00 C ATOM 59 O LYS A 4 -15.043 0.308 -2.343 1.00 0.00 O ATOM 60 CB LYS A 4 -17.552 2.289 -2.678 1.00 0.00 C ATOM 61 CG LYS A 4 -17.509 1.539 -4.001 1.00 0.00 C ATOM 62 CD LYS A 4 -16.600 2.229 -5.006 1.00 0.00 C ATOM 63 CE LYS A 4 -17.397 3.071 -5.990 1.00 0.00 C ATOM 64 NZ LYS A 4 -17.565 4.472 -5.513 1.00 0.00 N ATOM 0 H LYS A 4 -17.473 3.178 -0.358 1.00 0.00 H new ATOM 0 HA LYS A 4 -17.423 0.531 -1.451 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -18.588 2.532 -2.441 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -17.020 3.234 -2.788 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -17.159 0.521 -3.832 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -18.516 1.465 -4.411 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -15.886 2.862 -4.478 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -16.022 1.481 -5.549 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -16.893 3.074 -6.956 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -18.377 2.620 -6.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -18.113 5.013 -6.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -18.069 4.471 -4.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -16.630 4.912 -5.391 1.00 0.00 H new ATOM 78 N VAL A 5 -14.641 2.239 -1.260 1.00 0.00 N ATOM 79 CA VAL A 5 -13.195 2.139 -1.415 1.00 0.00 C ATOM 80 C VAL A 5 -12.700 0.786 -0.918 1.00 0.00 C ATOM 81 O VAL A 5 -11.772 0.206 -1.478 1.00 0.00 O ATOM 82 CB VAL A 5 -12.464 3.260 -0.652 1.00 0.00 C ATOM 83 CG1 VAL A 5 -10.973 3.228 -0.954 1.00 0.00 C ATOM 84 CG2 VAL A 5 -13.056 4.616 -0.999 1.00 0.00 C ATOM 0 H VAL A 5 -14.958 3.070 -0.761 1.00 0.00 H new ATOM 0 HA VAL A 5 -12.974 2.244 -2.477 1.00 0.00 H new ATOM 0 HB VAL A 5 -12.598 3.094 0.417 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -10.474 4.027 -0.406 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -10.561 2.266 -0.649 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -10.815 3.368 -2.023 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -12.527 5.395 -0.450 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -12.955 4.794 -2.070 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -14.111 4.633 -0.726 1.00 0.00 H new ATOM 94 N ALA A 6 -13.345 0.288 0.131 1.00 0.00 N ATOM 95 CA ALA A 6 -12.993 -1.004 0.702 1.00 0.00 C ATOM 96 C ALA A 6 -13.447 -2.135 -0.213 1.00 0.00 C ATOM 97 O ALA A 6 -12.763 -3.149 -0.352 1.00 0.00 O ATOM 98 CB ALA A 6 -13.608 -1.159 2.085 1.00 0.00 C ATOM 0 H ALA A 6 -14.115 0.761 0.603 1.00 0.00 H new ATOM 0 HA ALA A 6 -11.908 -1.054 0.798 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -13.335 -2.130 2.498 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -13.237 -0.370 2.739 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -14.693 -1.088 2.011 1.00 0.00 H new ATOM 104 N ARG A 7 -14.606 -1.950 -0.839 1.00 0.00 N ATOM 105 CA ARG A 7 -15.154 -2.950 -1.746 1.00 0.00 C ATOM 106 C ARG A 7 -14.298 -3.074 -3.000 1.00 0.00 C ATOM 107 O ARG A 7 -14.132 -4.163 -3.548 1.00 0.00 O ATOM 108 CB ARG A 7 -16.594 -2.592 -2.125 1.00 0.00 C ATOM 109 CG ARG A 7 -17.588 -3.714 -1.872 1.00 0.00 C ATOM 110 CD ARG A 7 -19.014 -3.191 -1.808 1.00 0.00 C ATOM 111 NE ARG A 7 -19.466 -2.999 -0.432 1.00 0.00 N ATOM 112 CZ ARG A 7 -20.497 -2.231 -0.090 1.00 0.00 C ATOM 113 NH1 ARG A 7 -21.186 -1.582 -1.020 1.00 0.00 N ATOM 114 NH2 ARG A 7 -20.841 -2.112 1.186 1.00 0.00 N ATOM 0 H ARG A 7 -15.183 -1.116 -0.734 1.00 0.00 H new ATOM 0 HA ARG A 7 -15.151 -3.911 -1.232 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -16.901 -1.712 -1.560 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -16.626 -2.321 -3.180 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -17.508 -4.458 -2.664 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -17.341 -4.216 -0.937 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -19.077 -2.245 -2.346 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -19.680 -3.890 -2.314 1.00 0.00 H new ATOM 0 HE ARG A 7 -18.961 -3.483 0.311 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -20.926 -1.671 -2.002 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -21.976 -0.994 -0.753 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -20.315 -2.609 1.905 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -21.631 -1.523 1.448 1.00 0.00 H new ATOM 128 N GLU A 8 -13.754 -1.948 -3.451 1.00 0.00 N ATOM 129 CA GLU A 8 -12.914 -1.932 -4.641 1.00 0.00 C ATOM 130 C GLU A 8 -11.555 -2.556 -4.350 1.00 0.00 C ATOM 131 O GLU A 8 -11.096 -3.433 -5.081 1.00 0.00 O ATOM 132 CB GLU A 8 -12.737 -0.500 -5.151 1.00 0.00 C ATOM 133 CG GLU A 8 -13.905 -0.003 -5.984 1.00 0.00 C ATOM 134 CD GLU A 8 -13.937 -0.617 -7.370 1.00 0.00 C ATOM 135 OE1 GLU A 8 -13.074 -0.257 -8.198 1.00 0.00 O ATOM 136 OE2 GLU A 8 -14.824 -1.456 -7.627 1.00 0.00 O ATOM 0 H GLU A 8 -13.880 -1.037 -3.010 1.00 0.00 H new ATOM 0 HA GLU A 8 -13.408 -2.522 -5.413 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -12.600 0.166 -4.299 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -11.827 -0.446 -5.748 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -14.838 -0.232 -5.468 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -13.847 1.082 -6.073 1.00 0.00 H new ATOM 143 N PHE A 9 -10.917 -2.105 -3.275 1.00 0.00 N ATOM 144 CA PHE A 9 -9.616 -2.634 -2.888 1.00 0.00 C ATOM 145 C PHE A 9 -9.726 -4.119 -2.565 1.00 0.00 C ATOM 146 O PHE A 9 -8.827 -4.902 -2.869 1.00 0.00 O ATOM 147 CB PHE A 9 -9.066 -1.873 -1.681 1.00 0.00 C ATOM 148 CG PHE A 9 -7.621 -2.171 -1.392 1.00 0.00 C ATOM 149 CD1 PHE A 9 -6.649 -1.956 -2.356 1.00 0.00 C ATOM 150 CD2 PHE A 9 -7.238 -2.666 -0.156 1.00 0.00 C ATOM 151 CE1 PHE A 9 -5.321 -2.229 -2.093 1.00 0.00 C ATOM 152 CE2 PHE A 9 -5.909 -2.942 0.113 1.00 0.00 C ATOM 153 CZ PHE A 9 -4.950 -2.722 -0.857 1.00 0.00 C ATOM 0 H PHE A 9 -11.279 -1.377 -2.659 1.00 0.00 H new ATOM 0 HA PHE A 9 -8.928 -2.505 -3.724 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -9.181 -0.803 -1.853 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -9.662 -2.120 -0.803 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -6.933 -1.571 -3.324 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -7.984 -2.838 0.605 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -4.573 -2.057 -2.853 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -5.622 -3.329 1.080 1.00 0.00 H new ATOM 0 HZ PHE A 9 -3.912 -2.935 -0.649 1.00 0.00 H new ATOM 163 N ARG A 10 -10.842 -4.497 -1.950 1.00 0.00 N ATOM 164 CA ARG A 10 -11.083 -5.888 -1.590 1.00 0.00 C ATOM 165 C ARG A 10 -11.427 -6.709 -2.827 1.00 0.00 C ATOM 166 O ARG A 10 -10.852 -7.771 -3.059 1.00 0.00 O ATOM 167 CB ARG A 10 -12.217 -5.982 -0.566 1.00 0.00 C ATOM 168 CG ARG A 10 -12.337 -7.352 0.083 1.00 0.00 C ATOM 169 CD ARG A 10 -13.762 -7.631 0.534 1.00 0.00 C ATOM 170 NE ARG A 10 -13.898 -8.957 1.131 1.00 0.00 N ATOM 171 CZ ARG A 10 -14.947 -9.341 1.854 1.00 0.00 C ATOM 172 NH1 ARG A 10 -15.953 -8.502 2.074 1.00 0.00 N ATOM 173 NH2 ARG A 10 -14.990 -10.565 2.362 1.00 0.00 N ATOM 0 H ARG A 10 -11.594 -3.858 -1.691 1.00 0.00 H new ATOM 0 HA ARG A 10 -10.172 -6.291 -1.147 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -12.058 -5.234 0.210 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -13.159 -5.737 -1.056 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -12.021 -8.120 -0.623 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -11.665 -7.410 0.939 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -14.068 -6.875 1.257 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -14.435 -7.547 -0.319 1.00 0.00 H new ATOM 0 HE ARG A 10 -13.144 -9.628 0.985 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -15.924 -7.558 1.688 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -16.755 -8.801 2.629 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -14.219 -11.212 2.199 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -15.794 -10.859 2.916 1.00 0.00 H new ATOM 187 N HIS A 11 -12.367 -6.206 -3.624 1.00 0.00 N ATOM 188 CA HIS A 11 -12.777 -6.894 -4.841 1.00 0.00 C ATOM 189 C HIS A 11 -11.611 -6.989 -5.817 1.00 0.00 C ATOM 190 O HIS A 11 -11.473 -7.974 -6.543 1.00 0.00 O ATOM 191 CB HIS A 11 -13.952 -6.165 -5.497 1.00 0.00 C ATOM 192 CG HIS A 11 -14.592 -6.941 -6.606 1.00 0.00 C ATOM 193 ND1 HIS A 11 -15.649 -6.459 -7.351 1.00 0.00 N ATOM 194 CD2 HIS A 11 -14.319 -8.173 -7.101 1.00 0.00 C ATOM 195 CE1 HIS A 11 -15.998 -7.360 -8.251 1.00 0.00 C ATOM 196 NE2 HIS A 11 -15.206 -8.407 -8.121 1.00 0.00 N ATOM 0 H HIS A 11 -12.856 -5.328 -3.448 1.00 0.00 H new ATOM 0 HA HIS A 11 -13.094 -7.902 -4.575 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -14.703 -5.945 -4.738 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -13.604 -5.209 -5.887 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -13.547 -8.845 -6.757 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -16.796 -7.257 -8.971 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -15.247 -9.254 -8.688 1.00 0.00 H new ATOM 205 N LYS A 12 -10.768 -5.963 -5.820 1.00 0.00 N ATOM 206 CA LYS A 12 -9.606 -5.931 -6.696 1.00 0.00 C ATOM 207 C LYS A 12 -8.643 -7.057 -6.341 1.00 0.00 C ATOM 208 O LYS A 12 -8.284 -7.873 -7.189 1.00 0.00 O ATOM 209 CB LYS A 12 -8.895 -4.581 -6.589 1.00 0.00 C ATOM 210 CG LYS A 12 -9.414 -3.540 -7.567 1.00 0.00 C ATOM 211 CD LYS A 12 -8.661 -3.592 -8.888 1.00 0.00 C ATOM 212 CE LYS A 12 -8.994 -2.396 -9.765 1.00 0.00 C ATOM 213 NZ LYS A 12 -10.462 -2.213 -9.925 1.00 0.00 N ATOM 0 H LYS A 12 -10.869 -5.141 -5.224 1.00 0.00 H new ATOM 0 HA LYS A 12 -9.945 -6.069 -7.723 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -9.007 -4.201 -5.574 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -7.828 -4.727 -6.759 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -10.476 -3.705 -7.746 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -9.315 -2.547 -7.129 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -7.588 -3.617 -8.696 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -8.912 -4.512 -9.415 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -8.562 -1.495 -9.329 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -8.536 -2.527 -10.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -10.646 -1.550 -10.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -10.905 -3.130 -10.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -10.862 -1.831 -9.044 1.00 0.00 H new ATOM 227 N VAL A 13 -8.238 -7.101 -5.075 1.00 0.00 N ATOM 228 CA VAL A 13 -7.324 -8.134 -4.604 1.00 0.00 C ATOM 229 C VAL A 13 -7.856 -9.517 -4.950 1.00 0.00 C ATOM 230 O VAL A 13 -7.096 -10.418 -5.305 1.00 0.00 O ATOM 231 CB VAL A 13 -7.103 -8.042 -3.081 1.00 0.00 C ATOM 232 CG1 VAL A 13 -6.071 -9.062 -2.624 1.00 0.00 C ATOM 233 CG2 VAL A 13 -6.680 -6.634 -2.686 1.00 0.00 C ATOM 0 H VAL A 13 -8.528 -6.435 -4.359 1.00 0.00 H new ATOM 0 HA VAL A 13 -6.369 -7.973 -5.105 1.00 0.00 H new ATOM 0 HB VAL A 13 -8.047 -8.268 -2.584 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.930 -8.980 -1.546 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.418 -10.066 -2.869 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -5.124 -8.872 -3.129 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -6.529 -6.589 -1.607 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -5.750 -6.377 -3.194 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -7.458 -5.926 -2.973 1.00 0.00 H new ATOM 243 N ASP A 14 -9.171 -9.676 -4.856 1.00 0.00 N ATOM 244 CA ASP A 14 -9.808 -10.948 -5.171 1.00 0.00 C ATOM 245 C ASP A 14 -9.730 -11.230 -6.667 1.00 0.00 C ATOM 246 O ASP A 14 -9.664 -12.385 -7.088 1.00 0.00 O ATOM 247 CB ASP A 14 -11.267 -10.940 -4.711 1.00 0.00 C ATOM 248 CG ASP A 14 -11.467 -11.690 -3.408 1.00 0.00 C ATOM 249 OD1 ASP A 14 -11.271 -12.924 -3.397 1.00 0.00 O ATOM 250 OD2 ASP A 14 -11.819 -11.044 -2.400 1.00 0.00 O ATOM 0 H ASP A 14 -9.816 -8.941 -4.565 1.00 0.00 H new ATOM 0 HA ASP A 14 -9.277 -11.739 -4.641 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -11.601 -9.910 -4.589 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -11.891 -11.388 -5.484 1.00 0.00 H new ATOM 255 N PHE A 15 -9.729 -10.167 -7.469 1.00 0.00 N ATOM 256 CA PHE A 15 -9.648 -10.305 -8.916 1.00 0.00 C ATOM 257 C PHE A 15 -8.268 -10.801 -9.325 1.00 0.00 C ATOM 258 O PHE A 15 -8.111 -11.487 -10.334 1.00 0.00 O ATOM 259 CB PHE A 15 -9.954 -8.968 -9.598 1.00 0.00 C ATOM 260 CG PHE A 15 -11.262 -8.954 -10.334 1.00 0.00 C ATOM 261 CD1 PHE A 15 -11.447 -9.741 -11.460 1.00 0.00 C ATOM 262 CD2 PHE A 15 -12.307 -8.155 -9.901 1.00 0.00 C ATOM 263 CE1 PHE A 15 -12.650 -9.729 -12.142 1.00 0.00 C ATOM 264 CE2 PHE A 15 -13.512 -8.139 -10.578 1.00 0.00 C ATOM 265 CZ PHE A 15 -13.682 -8.927 -11.700 1.00 0.00 C ATOM 0 H PHE A 15 -9.783 -9.203 -7.139 1.00 0.00 H new ATOM 0 HA PHE A 15 -10.390 -11.037 -9.235 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -9.962 -8.179 -8.846 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -9.151 -8.734 -10.297 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -10.642 -10.371 -11.809 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -12.179 -7.537 -9.024 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -12.781 -10.346 -13.019 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -14.319 -7.511 -10.230 1.00 0.00 H new ATOM 0 HZ PHE A 15 -14.622 -8.915 -12.231 1.00 0.00 H new ATOM 275 N LEU A 16 -7.269 -10.436 -8.529 1.00 0.00 N ATOM 276 CA LEU A 16 -5.892 -10.830 -8.796 1.00 0.00 C ATOM 277 C LEU A 16 -5.583 -12.189 -8.182 1.00 0.00 C ATOM 278 O LEU A 16 -5.099 -13.095 -8.861 1.00 0.00 O ATOM 279 CB LEU A 16 -4.923 -9.777 -8.245 1.00 0.00 C ATOM 280 CG LEU A 16 -5.435 -8.333 -8.281 1.00 0.00 C ATOM 281 CD1 LEU A 16 -4.917 -7.554 -7.083 1.00 0.00 C ATOM 282 CD2 LEU A 16 -5.023 -7.656 -9.580 1.00 0.00 C ATOM 0 H LEU A 16 -7.388 -9.866 -7.691 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.766 -10.904 -9.876 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.682 -10.034 -7.214 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.994 -9.830 -8.813 1.00 0.00 H new ATOM 0 HG LEU A 16 -6.524 -8.350 -8.233 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.291 -6.531 -7.125 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.261 -8.028 -6.164 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.827 -7.543 -7.100 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.394 -6.631 -9.590 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.936 -7.649 -9.658 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.443 -8.202 -10.424 1.00 0.00 H new ATOM 294 N ILE A 17 -5.866 -12.321 -6.894 1.00 0.00 N ATOM 295 CA ILE A 17 -5.622 -13.564 -6.178 1.00 0.00 C ATOM 296 C ILE A 17 -6.767 -14.538 -6.347 1.00 0.00 C ATOM 297 O ILE A 17 -6.593 -15.639 -6.871 1.00 0.00 O ATOM 298 CB ILE A 17 -5.423 -13.325 -4.671 1.00 0.00 C ATOM 299 CG1 ILE A 17 -4.575 -12.083 -4.425 1.00 0.00 C ATOM 300 CG2 ILE A 17 -4.783 -14.542 -4.029 1.00 0.00 C ATOM 301 CD1 ILE A 17 -3.212 -12.138 -5.082 1.00 0.00 C ATOM 0 H ILE A 17 -6.267 -11.578 -6.321 1.00 0.00 H new ATOM 0 HA ILE A 17 -4.712 -13.982 -6.608 1.00 0.00 H new ATOM 0 HB ILE A 17 -6.400 -13.161 -4.216 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -5.111 -11.209 -4.794 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -4.446 -11.949 -3.351 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -4.647 -14.362 -2.963 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -5.428 -15.409 -4.171 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -3.814 -14.730 -4.492 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.665 -11.221 -4.863 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -2.656 -12.992 -4.696 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -3.332 -12.241 -6.161 1.00 0.00 H new ATOM 313 N GLU A 18 -7.932 -14.140 -5.859 1.00 0.00 N ATOM 314 CA GLU A 18 -9.107 -14.980 -5.912 1.00 0.00 C ATOM 315 C GLU A 18 -8.934 -16.192 -5.007 1.00 0.00 C ATOM 316 O GLU A 18 -9.785 -17.077 -4.948 1.00 0.00 O ATOM 317 CB GLU A 18 -9.408 -15.410 -7.341 1.00 0.00 C ATOM 318 CG GLU A 18 -10.620 -16.302 -7.424 1.00 0.00 C ATOM 319 CD GLU A 18 -11.171 -16.421 -8.831 1.00 0.00 C ATOM 320 OE1 GLU A 18 -11.413 -15.373 -9.466 1.00 0.00 O ATOM 321 OE2 GLU A 18 -11.360 -17.564 -9.299 1.00 0.00 O ATOM 0 H GLU A 18 -8.084 -13.232 -5.419 1.00 0.00 H new ATOM 0 HA GLU A 18 -9.957 -14.400 -5.553 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -9.567 -14.526 -7.959 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -8.544 -15.934 -7.750 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -10.360 -17.295 -7.056 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -11.397 -15.912 -6.767 1.00 0.00 H new ATOM 328 N ASN A 19 -7.819 -16.206 -4.305 1.00 0.00 N ATOM 329 CA ASN A 19 -7.495 -17.289 -3.386 1.00 0.00 C ATOM 330 C ASN A 19 -7.682 -16.847 -1.937 1.00 0.00 C ATOM 331 O ASN A 19 -8.041 -15.700 -1.671 1.00 0.00 O ATOM 332 CB ASN A 19 -6.058 -17.762 -3.608 1.00 0.00 C ATOM 333 CG ASN A 19 -5.890 -19.247 -3.347 1.00 0.00 C ATOM 334 OD1 ASN A 19 -5.022 -19.660 -2.578 1.00 0.00 O ATOM 335 ND2 ASN A 19 -6.722 -20.057 -3.990 1.00 0.00 N ATOM 0 H ASN A 19 -7.112 -15.472 -4.352 1.00 0.00 H new ATOM 0 HA ASN A 19 -8.176 -18.117 -3.584 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -5.760 -17.540 -4.633 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -5.389 -17.203 -2.953 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -6.657 -21.066 -3.856 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -7.427 -19.670 -4.618 1.00 0.00 H new ATOM 342 N ASP A 20 -7.437 -17.763 -1.006 1.00 0.00 N ATOM 343 CA ASP A 20 -7.581 -17.466 0.413 1.00 0.00 C ATOM 344 C ASP A 20 -6.219 -17.365 1.091 1.00 0.00 C ATOM 345 O ASP A 20 -5.927 -16.383 1.774 1.00 0.00 O ATOM 346 CB ASP A 20 -8.427 -18.540 1.098 1.00 0.00 C ATOM 347 CG ASP A 20 -9.913 -18.272 0.970 1.00 0.00 C ATOM 348 OD1 ASP A 20 -10.447 -18.405 -0.152 1.00 0.00 O ATOM 349 OD2 ASP A 20 -10.545 -17.932 1.992 1.00 0.00 O ATOM 0 H ASP A 20 -7.138 -18.717 -1.209 1.00 0.00 H new ATOM 0 HA ASP A 20 -8.084 -16.503 0.506 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -8.197 -19.513 0.663 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -8.159 -18.592 2.153 1.00 0.00 H new ATOM 354 N ALA A 21 -5.389 -18.384 0.900 1.00 0.00 N ATOM 355 CA ALA A 21 -4.057 -18.406 1.495 1.00 0.00 C ATOM 356 C ALA A 21 -3.258 -17.176 1.088 1.00 0.00 C ATOM 357 O ALA A 21 -2.630 -16.523 1.922 1.00 0.00 O ATOM 358 CB ALA A 21 -3.319 -19.675 1.098 1.00 0.00 C ATOM 0 H ALA A 21 -5.614 -19.205 0.338 1.00 0.00 H new ATOM 0 HA ALA A 21 -4.170 -18.393 2.579 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.327 -19.676 1.550 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.877 -20.544 1.446 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.223 -19.716 0.013 1.00 0.00 H new ATOM 364 N GLU A 22 -3.292 -16.863 -0.201 1.00 0.00 N ATOM 365 CA GLU A 22 -2.578 -15.706 -0.724 1.00 0.00 C ATOM 366 C GLU A 22 -3.177 -14.416 -0.177 1.00 0.00 C ATOM 367 O GLU A 22 -2.454 -13.512 0.241 1.00 0.00 O ATOM 368 CB GLU A 22 -2.620 -15.703 -2.254 1.00 0.00 C ATOM 369 CG GLU A 22 -1.498 -16.501 -2.896 1.00 0.00 C ATOM 370 CD GLU A 22 -0.692 -15.685 -3.888 1.00 0.00 C ATOM 371 OE1 GLU A 22 -1.268 -14.764 -4.504 1.00 0.00 O ATOM 372 OE2 GLU A 22 0.513 -15.967 -4.048 1.00 0.00 O ATOM 0 H GLU A 22 -3.807 -17.394 -0.903 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.538 -15.768 -0.402 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.577 -16.108 -2.583 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.571 -14.673 -2.608 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -0.834 -16.878 -2.118 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -1.919 -17.369 -3.403 1.00 0.00 H new ATOM 379 N LYS A 23 -4.505 -14.342 -0.170 1.00 0.00 N ATOM 380 CA LYS A 23 -5.198 -13.168 0.342 1.00 0.00 C ATOM 381 C LYS A 23 -4.939 -13.014 1.831 1.00 0.00 C ATOM 382 O LYS A 23 -4.871 -11.898 2.344 1.00 0.00 O ATOM 383 CB LYS A 23 -6.701 -13.276 0.078 1.00 0.00 C ATOM 384 CG LYS A 23 -7.375 -11.936 -0.174 1.00 0.00 C ATOM 385 CD LYS A 23 -8.864 -11.999 0.116 1.00 0.00 C ATOM 386 CE LYS A 23 -9.563 -13.033 -0.755 1.00 0.00 C ATOM 387 NZ LYS A 23 -10.281 -14.051 0.060 1.00 0.00 N ATOM 0 H LYS A 23 -5.120 -15.080 -0.513 1.00 0.00 H new ATOM 0 HA LYS A 23 -4.816 -12.288 -0.176 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -6.864 -13.923 -0.784 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.177 -13.757 0.932 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -6.913 -11.172 0.452 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -7.217 -11.637 -1.210 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -9.020 -12.243 1.167 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -9.310 -11.019 -0.054 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -10.270 -12.532 -1.416 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -8.829 -13.528 -1.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -10.744 -14.737 -0.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -9.602 -14.547 0.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -10.999 -13.582 0.648 1.00 0.00 H new ATOM 401 N ASP A 24 -4.776 -14.139 2.516 1.00 0.00 N ATOM 402 CA ASP A 24 -4.503 -14.121 3.944 1.00 0.00 C ATOM 403 C ASP A 24 -3.178 -13.419 4.208 1.00 0.00 C ATOM 404 O ASP A 24 -3.091 -12.528 5.053 1.00 0.00 O ATOM 405 CB ASP A 24 -4.464 -15.547 4.501 1.00 0.00 C ATOM 406 CG ASP A 24 -5.128 -15.654 5.858 1.00 0.00 C ATOM 407 OD1 ASP A 24 -4.460 -15.353 6.871 1.00 0.00 O ATOM 408 OD2 ASP A 24 -6.314 -16.039 5.912 1.00 0.00 O ATOM 0 H ASP A 24 -4.828 -15.071 2.106 1.00 0.00 H new ATOM 0 HA ASP A 24 -5.302 -13.576 4.446 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.960 -16.221 3.802 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.428 -15.876 4.579 1.00 0.00 H new ATOM 413 N TYR A 25 -2.148 -13.821 3.467 1.00 0.00 N ATOM 414 CA TYR A 25 -0.828 -13.223 3.609 1.00 0.00 C ATOM 415 C TYR A 25 -0.840 -11.776 3.146 1.00 0.00 C ATOM 416 O TYR A 25 -0.332 -10.897 3.841 1.00 0.00 O ATOM 417 CB TYR A 25 0.216 -14.024 2.831 1.00 0.00 C ATOM 418 CG TYR A 25 1.633 -13.550 3.055 1.00 0.00 C ATOM 419 CD1 TYR A 25 2.083 -13.214 4.327 1.00 0.00 C ATOM 420 CD2 TYR A 25 2.525 -13.439 1.995 1.00 0.00 C ATOM 421 CE1 TYR A 25 3.378 -12.781 4.533 1.00 0.00 C ATOM 422 CE2 TYR A 25 3.821 -13.007 2.193 1.00 0.00 C ATOM 423 CZ TYR A 25 4.243 -12.679 3.465 1.00 0.00 C ATOM 424 OH TYR A 25 5.534 -12.248 3.668 1.00 0.00 O ATOM 0 H TYR A 25 -2.204 -14.558 2.764 1.00 0.00 H new ATOM 0 HA TYR A 25 -0.560 -13.244 4.665 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.143 -15.073 3.117 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.013 -13.967 1.767 1.00 0.00 H new ATOM 0 HD1 TYR A 25 1.409 -13.293 5.167 1.00 0.00 H new ATOM 0 HD2 TYR A 25 2.198 -13.695 0.998 1.00 0.00 H new ATOM 0 HE1 TYR A 25 3.712 -12.523 5.527 1.00 0.00 H new ATOM 0 HE2 TYR A 25 4.500 -12.926 1.357 1.00 0.00 H new ATOM 0 HH TYR A 25 5.538 -11.528 4.333 1.00 0.00 H new ATOM 434 N LEU A 26 -1.439 -11.517 1.985 1.00 0.00 N ATOM 435 CA LEU A 26 -1.518 -10.154 1.484 1.00 0.00 C ATOM 436 C LEU A 26 -2.214 -9.300 2.522 1.00 0.00 C ATOM 437 O LEU A 26 -1.762 -8.205 2.852 1.00 0.00 O ATOM 438 CB LEU A 26 -2.265 -10.092 0.150 1.00 0.00 C ATOM 439 CG LEU A 26 -1.927 -8.881 -0.723 1.00 0.00 C ATOM 440 CD1 LEU A 26 -2.806 -8.854 -1.965 1.00 0.00 C ATOM 441 CD2 LEU A 26 -2.082 -7.591 0.069 1.00 0.00 C ATOM 0 H LEU A 26 -1.869 -12.222 1.386 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.510 -9.779 1.305 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -2.048 -10.999 -0.414 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.336 -10.089 0.350 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.888 -8.967 -1.040 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.551 -7.986 -2.573 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.645 -9.763 -2.545 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.853 -8.794 -1.668 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.837 -6.741 -0.568 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.111 -7.499 0.417 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.409 -7.607 0.926 1.00 0.00 H new ATOM 453 N TYR A 27 -3.292 -9.839 3.078 1.00 0.00 N ATOM 454 CA TYR A 27 -4.014 -9.145 4.130 1.00 0.00 C ATOM 455 C TYR A 27 -3.063 -8.915 5.298 1.00 0.00 C ATOM 456 O TYR A 27 -3.137 -7.896 5.986 1.00 0.00 O ATOM 457 CB TYR A 27 -5.230 -9.955 4.587 1.00 0.00 C ATOM 458 CG TYR A 27 -6.535 -9.467 4.001 1.00 0.00 C ATOM 459 CD1 TYR A 27 -6.962 -8.161 4.201 1.00 0.00 C ATOM 460 CD2 TYR A 27 -7.339 -10.312 3.246 1.00 0.00 C ATOM 461 CE1 TYR A 27 -8.154 -7.710 3.667 1.00 0.00 C ATOM 462 CE2 TYR A 27 -8.533 -9.868 2.707 1.00 0.00 C ATOM 463 CZ TYR A 27 -8.935 -8.566 2.921 1.00 0.00 C ATOM 464 OH TYR A 27 -10.123 -8.120 2.387 1.00 0.00 O ATOM 0 H TYR A 27 -3.681 -10.746 2.819 1.00 0.00 H new ATOM 0 HA TYR A 27 -4.379 -8.191 3.750 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -5.085 -11.000 4.311 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -5.293 -9.918 5.675 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -6.352 -7.486 4.784 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -7.027 -11.332 3.077 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -8.472 -6.691 3.833 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -9.147 -10.537 2.122 1.00 0.00 H new ATOM 0 HH TYR A 27 -10.566 -8.856 1.915 1.00 0.00 H new ATOM 474 N ASP A 28 -2.146 -9.867 5.499 1.00 0.00 N ATOM 475 CA ASP A 28 -1.159 -9.762 6.560 1.00 0.00 C ATOM 476 C ASP A 28 -0.114 -8.705 6.210 1.00 0.00 C ATOM 477 O ASP A 28 0.407 -8.019 7.088 1.00 0.00 O ATOM 478 CB ASP A 28 -0.481 -11.114 6.796 1.00 0.00 C ATOM 479 CG ASP A 28 -0.403 -11.474 8.266 1.00 0.00 C ATOM 480 OD1 ASP A 28 -1.463 -11.756 8.866 1.00 0.00 O ATOM 481 OD2 ASP A 28 0.717 -11.473 8.819 1.00 0.00 O ATOM 0 H ASP A 28 -2.073 -10.715 4.937 1.00 0.00 H new ATOM 0 HA ASP A 28 -1.668 -9.463 7.476 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -1.030 -11.890 6.264 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.525 -11.091 6.377 1.00 0.00 H new ATOM 486 N VAL A 29 0.183 -8.573 4.914 1.00 0.00 N ATOM 487 CA VAL A 29 1.161 -7.592 4.459 1.00 0.00 C ATOM 488 C VAL A 29 0.671 -6.175 4.738 1.00 0.00 C ATOM 489 O VAL A 29 1.396 -5.357 5.305 1.00 0.00 O ATOM 490 CB VAL A 29 1.455 -7.740 2.953 1.00 0.00 C ATOM 491 CG1 VAL A 29 2.493 -6.721 2.504 1.00 0.00 C ATOM 492 CG2 VAL A 29 1.920 -9.154 2.638 1.00 0.00 C ATOM 0 H VAL A 29 -0.238 -9.130 4.170 1.00 0.00 H new ATOM 0 HA VAL A 29 2.082 -7.776 5.013 1.00 0.00 H new ATOM 0 HB VAL A 29 0.533 -7.550 2.403 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.686 -6.843 1.438 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.120 -5.714 2.692 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.418 -6.875 3.060 1.00 0.00 H new ATOM 0 HG21 VAL A 29 2.123 -9.241 1.571 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.829 -9.372 3.199 1.00 0.00 H new ATOM 0 HG23 VAL A 29 1.142 -9.864 2.918 1.00 0.00 H new ATOM 502 N LEU A 30 -0.566 -5.894 4.342 1.00 0.00 N ATOM 503 CA LEU A 30 -1.154 -4.578 4.554 1.00 0.00 C ATOM 504 C LEU A 30 -1.279 -4.282 6.045 1.00 0.00 C ATOM 505 O LEU A 30 -1.032 -3.162 6.490 1.00 0.00 O ATOM 506 CB LEU A 30 -2.528 -4.493 3.887 1.00 0.00 C ATOM 507 CG LEU A 30 -2.561 -4.916 2.418 1.00 0.00 C ATOM 508 CD1 LEU A 30 -3.996 -5.017 1.924 1.00 0.00 C ATOM 509 CD2 LEU A 30 -1.769 -3.937 1.565 1.00 0.00 C ATOM 0 H LEU A 30 -1.180 -6.560 3.873 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.498 -3.834 4.103 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.225 -5.118 4.445 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.889 -3.467 3.962 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.099 -5.899 2.331 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.000 -5.319 0.877 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.534 -5.757 2.517 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.484 -4.048 2.024 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.803 -4.253 0.522 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.203 -2.941 1.657 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.733 -3.914 1.904 1.00 0.00 H new ATOM 521 N ARG A 31 -1.658 -5.300 6.810 1.00 0.00 N ATOM 522 CA ARG A 31 -1.810 -5.156 8.251 1.00 0.00 C ATOM 523 C ARG A 31 -0.466 -4.852 8.904 1.00 0.00 C ATOM 524 O ARG A 31 -0.387 -4.087 9.865 1.00 0.00 O ATOM 525 CB ARG A 31 -2.410 -6.428 8.853 1.00 0.00 C ATOM 526 CG ARG A 31 -3.464 -6.160 9.916 1.00 0.00 C ATOM 527 CD ARG A 31 -2.860 -6.130 11.311 1.00 0.00 C ATOM 528 NE ARG A 31 -2.985 -4.814 11.933 1.00 0.00 N ATOM 529 CZ ARG A 31 -2.875 -4.600 13.243 1.00 0.00 C ATOM 530 NH1 ARG A 31 -2.632 -5.609 14.069 1.00 0.00 N ATOM 531 NH2 ARG A 31 -3.003 -3.371 13.726 1.00 0.00 N ATOM 0 H ARG A 31 -1.865 -6.233 6.455 1.00 0.00 H new ATOM 0 HA ARG A 31 -2.486 -4.323 8.442 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -2.854 -7.023 8.055 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -1.610 -7.026 9.289 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -3.954 -5.208 9.711 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -4.233 -6.931 9.869 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -3.353 -6.875 11.936 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -1.807 -6.407 11.256 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.167 -4.013 11.329 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -2.528 -6.555 13.702 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -2.549 -5.439 15.071 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -3.185 -2.591 13.094 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -2.919 -3.206 14.729 1.00 0.00 H new ATOM 545 N MET A 32 0.591 -5.454 8.368 1.00 0.00 N ATOM 546 CA MET A 32 1.936 -5.248 8.890 1.00 0.00 C ATOM 547 C MET A 32 2.468 -3.878 8.482 1.00 0.00 C ATOM 548 O MET A 32 2.957 -3.115 9.316 1.00 0.00 O ATOM 549 CB MET A 32 2.875 -6.348 8.389 1.00 0.00 C ATOM 550 CG MET A 32 3.559 -7.119 9.505 1.00 0.00 C ATOM 551 SD MET A 32 5.255 -6.577 9.786 1.00 0.00 S ATOM 552 CE MET A 32 5.656 -7.481 11.280 1.00 0.00 C ATOM 0 H MET A 32 0.541 -6.089 7.571 1.00 0.00 H new ATOM 0 HA MET A 32 1.891 -5.292 9.978 1.00 0.00 H new ATOM 0 HB2 MET A 32 2.308 -7.045 7.772 1.00 0.00 H new ATOM 0 HB3 MET A 32 3.635 -5.901 7.749 1.00 0.00 H new ATOM 0 HG2 MET A 32 2.987 -7.002 10.426 1.00 0.00 H new ATOM 0 HG3 MET A 32 3.557 -8.181 9.261 1.00 0.00 H new ATOM 0 HE1 MET A 32 6.678 -7.250 11.582 1.00 0.00 H new ATOM 0 HE2 MET A 32 4.969 -7.192 12.075 1.00 0.00 H new ATOM 0 HE3 MET A 32 5.566 -8.551 11.093 1.00 0.00 H new ATOM 562 N TYR A 33 2.365 -3.570 7.193 1.00 0.00 N ATOM 563 CA TYR A 33 2.832 -2.291 6.672 1.00 0.00 C ATOM 564 C TYR A 33 2.113 -1.131 7.356 1.00 0.00 C ATOM 565 O TYR A 33 2.638 -0.022 7.427 1.00 0.00 O ATOM 566 CB TYR A 33 2.619 -2.230 5.156 1.00 0.00 C ATOM 567 CG TYR A 33 2.775 -0.844 4.566 1.00 0.00 C ATOM 568 CD1 TYR A 33 1.688 0.017 4.474 1.00 0.00 C ATOM 569 CD2 TYR A 33 4.007 -0.399 4.104 1.00 0.00 C ATOM 570 CE1 TYR A 33 1.824 1.282 3.937 1.00 0.00 C ATOM 571 CE2 TYR A 33 4.150 0.867 3.567 1.00 0.00 C ATOM 572 CZ TYR A 33 3.057 1.702 3.485 1.00 0.00 C ATOM 573 OH TYR A 33 3.196 2.964 2.950 1.00 0.00 O ATOM 0 H TYR A 33 1.962 -4.189 6.490 1.00 0.00 H new ATOM 0 HA TYR A 33 3.898 -2.202 6.883 1.00 0.00 H new ATOM 0 HB2 TYR A 33 3.329 -2.901 4.673 1.00 0.00 H new ATOM 0 HB3 TYR A 33 1.621 -2.602 4.925 1.00 0.00 H new ATOM 0 HD1 TYR A 33 0.721 -0.309 4.828 1.00 0.00 H new ATOM 0 HD2 TYR A 33 4.866 -1.051 4.165 1.00 0.00 H new ATOM 0 HE1 TYR A 33 0.969 1.939 3.871 1.00 0.00 H new ATOM 0 HE2 TYR A 33 5.115 1.200 3.213 1.00 0.00 H new ATOM 0 HH TYR A 33 3.625 3.552 3.606 1.00 0.00 H new ATOM 583 N HIS A 34 0.910 -1.391 7.856 1.00 0.00 N ATOM 584 CA HIS A 34 0.131 -0.361 8.532 1.00 0.00 C ATOM 585 C HIS A 34 0.531 -0.258 10.001 1.00 0.00 C ATOM 586 O HIS A 34 0.528 0.827 10.582 1.00 0.00 O ATOM 587 CB HIS A 34 -1.362 -0.663 8.416 1.00 0.00 C ATOM 588 CG HIS A 34 -2.235 0.525 8.681 1.00 0.00 C ATOM 589 ND1 HIS A 34 -2.623 1.408 7.696 1.00 0.00 N ATOM 590 CD2 HIS A 34 -2.797 0.973 9.828 1.00 0.00 C ATOM 591 CE1 HIS A 34 -3.386 2.349 8.226 1.00 0.00 C ATOM 592 NE2 HIS A 34 -3.506 2.107 9.518 1.00 0.00 N ATOM 0 H HIS A 34 0.455 -2.302 7.806 1.00 0.00 H new ATOM 0 HA HIS A 34 0.337 0.594 8.049 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -1.571 -1.042 7.415 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -1.619 -1.457 9.117 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -2.705 0.522 10.805 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -3.834 3.174 7.693 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -4.039 2.671 10.179 1.00 0.00 H new ATOM 601 N GLN A 35 0.875 -1.395 10.596 1.00 0.00 N ATOM 602 CA GLN A 35 1.276 -1.437 11.998 1.00 0.00 C ATOM 603 C GLN A 35 2.715 -0.964 12.176 1.00 0.00 C ATOM 604 O GLN A 35 2.981 -0.001 12.896 1.00 0.00 O ATOM 605 CB GLN A 35 1.118 -2.855 12.550 1.00 0.00 C ATOM 606 CG GLN A 35 -0.149 -3.053 13.366 1.00 0.00 C ATOM 607 CD GLN A 35 -0.044 -2.459 14.758 1.00 0.00 C ATOM 608 OE1 GLN A 35 0.465 -3.096 15.680 1.00 0.00 O ATOM 609 NE2 GLN A 35 -0.530 -1.233 14.917 1.00 0.00 N ATOM 0 H GLN A 35 0.884 -2.301 10.128 1.00 0.00 H new ATOM 0 HA GLN A 35 0.626 -0.761 12.554 1.00 0.00 H new ATOM 0 HB2 GLN A 35 1.119 -3.561 11.720 1.00 0.00 H new ATOM 0 HB3 GLN A 35 1.981 -3.092 13.172 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -0.989 -2.597 12.842 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -0.363 -4.119 13.445 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -0.943 -0.742 14.125 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -0.490 -0.783 15.832 1.00 0.00 H new ATOM 618 N THR A 36 3.638 -1.661 11.526 1.00 0.00 N ATOM 619 CA THR A 36 5.057 -1.330 11.615 1.00 0.00 C ATOM 620 C THR A 36 5.395 -0.080 10.809 1.00 0.00 C ATOM 621 O THR A 36 6.343 0.636 11.130 1.00 0.00 O ATOM 622 CB THR A 36 5.904 -2.506 11.128 1.00 0.00 C ATOM 623 OG1 THR A 36 7.284 -2.223 11.273 1.00 0.00 O ATOM 624 CG2 THR A 36 5.659 -2.859 9.677 1.00 0.00 C ATOM 0 H THR A 36 3.430 -2.462 10.929 1.00 0.00 H new ATOM 0 HA THR A 36 5.283 -1.127 12.662 1.00 0.00 H new ATOM 0 HB THR A 36 5.607 -3.352 11.747 1.00 0.00 H new ATOM 0 HG1 THR A 36 7.810 -2.988 10.958 1.00 0.00 H new ATOM 0 HG21 THR A 36 6.291 -3.701 9.396 1.00 0.00 H new ATOM 0 HG22 THR A 36 4.612 -3.130 9.540 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.897 -2.001 9.049 1.00 0.00 H new ATOM 632 N MET A 37 4.621 0.177 9.758 1.00 0.00 N ATOM 633 CA MET A 37 4.853 1.342 8.909 1.00 0.00 C ATOM 634 C MET A 37 6.214 1.249 8.224 1.00 0.00 C ATOM 635 O MET A 37 7.016 2.182 8.283 1.00 0.00 O ATOM 636 CB MET A 37 4.763 2.630 9.732 1.00 0.00 C ATOM 637 CG MET A 37 3.405 2.845 10.380 1.00 0.00 C ATOM 638 SD MET A 37 2.418 4.095 9.534 1.00 0.00 S ATOM 639 CE MET A 37 0.872 3.219 9.314 1.00 0.00 C ATOM 0 H MET A 37 3.831 -0.403 9.475 1.00 0.00 H new ATOM 0 HA MET A 37 4.080 1.362 8.140 1.00 0.00 H new ATOM 0 HB2 MET A 37 5.528 2.609 10.509 1.00 0.00 H new ATOM 0 HB3 MET A 37 4.987 3.480 9.087 1.00 0.00 H new ATOM 0 HG2 MET A 37 2.858 1.902 10.389 1.00 0.00 H new ATOM 0 HG3 MET A 37 3.546 3.142 11.419 1.00 0.00 H new ATOM 0 HE1 MET A 37 0.242 3.764 8.611 1.00 0.00 H new ATOM 0 HE2 MET A 37 1.072 2.221 8.924 1.00 0.00 H new ATOM 0 HE3 MET A 37 0.360 3.139 10.273 1.00 0.00 H new ATOM 649 N ASP A 38 6.470 0.115 7.578 1.00 0.00 N ATOM 650 CA ASP A 38 7.735 -0.103 6.883 1.00 0.00 C ATOM 651 C ASP A 38 7.504 -0.436 5.413 1.00 0.00 C ATOM 652 O ASP A 38 6.974 -1.497 5.080 1.00 0.00 O ATOM 653 CB ASP A 38 8.523 -1.229 7.558 1.00 0.00 C ATOM 654 CG ASP A 38 9.781 -0.725 8.239 1.00 0.00 C ATOM 655 OD1 ASP A 38 9.677 0.192 9.079 1.00 0.00 O ATOM 656 OD2 ASP A 38 10.873 -1.249 7.929 1.00 0.00 O ATOM 0 H ASP A 38 5.818 -0.667 7.521 1.00 0.00 H new ATOM 0 HA ASP A 38 8.313 0.820 6.937 1.00 0.00 H new ATOM 0 HB2 ASP A 38 7.888 -1.723 8.293 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.791 -1.978 6.813 1.00 0.00 H new ATOM 661 N VAL A 39 7.911 0.475 4.536 1.00 0.00 N ATOM 662 CA VAL A 39 7.756 0.278 3.101 1.00 0.00 C ATOM 663 C VAL A 39 8.553 -0.931 2.627 1.00 0.00 C ATOM 664 O VAL A 39 8.219 -1.553 1.617 1.00 0.00 O ATOM 665 CB VAL A 39 8.207 1.520 2.306 1.00 0.00 C ATOM 666 CG1 VAL A 39 7.879 1.358 0.831 1.00 0.00 C ATOM 667 CG2 VAL A 39 7.562 2.780 2.868 1.00 0.00 C ATOM 0 H VAL A 39 8.351 1.358 4.795 1.00 0.00 H new ATOM 0 HA VAL A 39 6.695 0.109 2.919 1.00 0.00 H new ATOM 0 HB VAL A 39 9.288 1.618 2.406 1.00 0.00 H new ATOM 0 HG11 VAL A 39 8.205 2.244 0.286 1.00 0.00 H new ATOM 0 HG12 VAL A 39 8.394 0.481 0.438 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.803 1.232 0.709 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.893 3.645 2.294 1.00 0.00 H new ATOM 0 HG22 VAL A 39 6.477 2.694 2.802 1.00 0.00 H new ATOM 0 HG23 VAL A 39 7.854 2.904 3.911 1.00 0.00 H new ATOM 677 N ALA A 40 9.602 -1.271 3.371 1.00 0.00 N ATOM 678 CA ALA A 40 10.436 -2.414 3.032 1.00 0.00 C ATOM 679 C ALA A 40 9.684 -3.710 3.289 1.00 0.00 C ATOM 680 O ALA A 40 9.979 -4.744 2.690 1.00 0.00 O ATOM 681 CB ALA A 40 11.730 -2.381 3.831 1.00 0.00 C ATOM 0 H ALA A 40 9.892 -0.770 4.211 1.00 0.00 H new ATOM 0 HA ALA A 40 10.684 -2.362 1.972 1.00 0.00 H new ATOM 0 HB1 ALA A 40 12.343 -3.242 3.566 1.00 0.00 H new ATOM 0 HB2 ALA A 40 12.275 -1.464 3.604 1.00 0.00 H new ATOM 0 HB3 ALA A 40 11.501 -2.412 4.896 1.00 0.00 H new ATOM 687 N VAL A 41 8.702 -3.643 4.182 1.00 0.00 N ATOM 688 CA VAL A 41 7.901 -4.805 4.517 1.00 0.00 C ATOM 689 C VAL A 41 6.912 -5.115 3.399 1.00 0.00 C ATOM 690 O VAL A 41 6.883 -6.230 2.875 1.00 0.00 O ATOM 691 CB VAL A 41 7.137 -4.597 5.842 1.00 0.00 C ATOM 692 CG1 VAL A 41 6.242 -5.790 6.147 1.00 0.00 C ATOM 693 CG2 VAL A 41 8.110 -4.350 6.983 1.00 0.00 C ATOM 0 H VAL A 41 8.445 -2.794 4.685 1.00 0.00 H new ATOM 0 HA VAL A 41 8.581 -5.648 4.639 1.00 0.00 H new ATOM 0 HB VAL A 41 6.501 -3.718 5.734 1.00 0.00 H new ATOM 0 HG11 VAL A 41 5.715 -5.619 7.086 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.518 -5.917 5.342 1.00 0.00 H new ATOM 0 HG13 VAL A 41 6.851 -6.690 6.232 1.00 0.00 H new ATOM 0 HG21 VAL A 41 7.555 -4.205 7.910 1.00 0.00 H new ATOM 0 HG22 VAL A 41 8.773 -5.208 7.088 1.00 0.00 H new ATOM 0 HG23 VAL A 41 8.701 -3.459 6.771 1.00 0.00 H new ATOM 703 N LEU A 42 6.107 -4.123 3.029 1.00 0.00 N ATOM 704 CA LEU A 42 5.126 -4.294 1.967 1.00 0.00 C ATOM 705 C LEU A 42 5.800 -4.779 0.688 1.00 0.00 C ATOM 706 O LEU A 42 5.312 -5.694 0.029 1.00 0.00 O ATOM 707 CB LEU A 42 4.394 -2.975 1.708 1.00 0.00 C ATOM 708 CG LEU A 42 2.883 -3.030 1.919 1.00 0.00 C ATOM 709 CD1 LEU A 42 2.267 -1.652 1.735 1.00 0.00 C ATOM 710 CD2 LEU A 42 2.249 -4.031 0.964 1.00 0.00 C ATOM 0 H LEU A 42 6.116 -3.194 3.450 1.00 0.00 H new ATOM 0 HA LEU A 42 4.402 -5.045 2.283 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.811 -2.210 2.363 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.593 -2.660 0.683 1.00 0.00 H new ATOM 0 HG LEU A 42 2.689 -3.358 2.940 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.190 -1.712 1.889 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.700 -0.961 2.458 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.470 -1.295 0.725 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.172 -4.058 1.128 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.453 -3.732 -0.064 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.668 -5.021 1.144 1.00 0.00 H new ATOM 722 N VAL A 43 6.927 -4.160 0.349 1.00 0.00 N ATOM 723 CA VAL A 43 7.669 -4.533 -0.848 1.00 0.00 C ATOM 724 C VAL A 43 8.163 -5.973 -0.761 1.00 0.00 C ATOM 725 O VAL A 43 8.027 -6.743 -1.713 1.00 0.00 O ATOM 726 CB VAL A 43 8.875 -3.600 -1.078 1.00 0.00 C ATOM 727 CG1 VAL A 43 9.559 -3.922 -2.399 1.00 0.00 C ATOM 728 CG2 VAL A 43 8.437 -2.144 -1.040 1.00 0.00 C ATOM 0 H VAL A 43 7.345 -3.400 0.886 1.00 0.00 H new ATOM 0 HA VAL A 43 6.982 -4.437 -1.688 1.00 0.00 H new ATOM 0 HB VAL A 43 9.594 -3.763 -0.275 1.00 0.00 H new ATOM 0 HG11 VAL A 43 10.407 -3.253 -2.542 1.00 0.00 H new ATOM 0 HG12 VAL A 43 9.910 -4.954 -2.385 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.851 -3.790 -3.217 1.00 0.00 H new ATOM 0 HG21 VAL A 43 9.301 -1.500 -1.204 1.00 0.00 H new ATOM 0 HG22 VAL A 43 7.698 -1.966 -1.821 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.998 -1.921 -0.067 1.00 0.00 H new ATOM 738 N GLY A 44 8.736 -6.336 0.383 1.00 0.00 N ATOM 739 CA GLY A 44 9.238 -7.685 0.563 1.00 0.00 C ATOM 740 C GLY A 44 8.157 -8.733 0.387 1.00 0.00 C ATOM 741 O GLY A 44 8.275 -9.627 -0.454 1.00 0.00 O ATOM 0 H GLY A 44 8.861 -5.721 1.187 1.00 0.00 H new ATOM 0 HA2 GLY A 44 10.039 -7.870 -0.153 1.00 0.00 H new ATOM 0 HA3 GLY A 44 9.672 -7.778 1.559 1.00 0.00 H new ATOM 745 N ASP A 45 7.099 -8.620 1.181 1.00 0.00 N ATOM 746 CA ASP A 45 5.990 -9.561 1.112 1.00 0.00 C ATOM 747 C ASP A 45 5.323 -9.516 -0.259 1.00 0.00 C ATOM 748 O ASP A 45 4.964 -10.552 -0.819 1.00 0.00 O ATOM 749 CB ASP A 45 4.964 -9.256 2.203 1.00 0.00 C ATOM 750 CG ASP A 45 5.587 -9.195 3.585 1.00 0.00 C ATOM 751 OD1 ASP A 45 6.650 -8.554 3.728 1.00 0.00 O ATOM 752 OD2 ASP A 45 5.013 -9.787 4.521 1.00 0.00 O ATOM 0 H ASP A 45 6.987 -7.886 1.880 1.00 0.00 H new ATOM 0 HA ASP A 45 6.387 -10.564 1.270 1.00 0.00 H new ATOM 0 HB2 ASP A 45 4.478 -8.305 1.985 1.00 0.00 H new ATOM 0 HB3 ASP A 45 4.188 -10.021 2.191 1.00 0.00 H new ATOM 757 N LEU A 46 5.160 -8.310 -0.799 1.00 0.00 N ATOM 758 CA LEU A 46 4.535 -8.141 -2.105 1.00 0.00 C ATOM 759 C LEU A 46 5.241 -8.988 -3.159 1.00 0.00 C ATOM 760 O LEU A 46 4.600 -9.551 -4.039 1.00 0.00 O ATOM 761 CB LEU A 46 4.541 -6.669 -2.526 1.00 0.00 C ATOM 762 CG LEU A 46 3.296 -5.869 -2.128 1.00 0.00 C ATOM 763 CD1 LEU A 46 3.351 -4.469 -2.721 1.00 0.00 C ATOM 764 CD2 LEU A 46 2.025 -6.584 -2.575 1.00 0.00 C ATOM 0 H LEU A 46 5.451 -7.440 -0.353 1.00 0.00 H new ATOM 0 HA LEU A 46 3.501 -8.476 -2.024 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.417 -6.187 -2.091 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.654 -6.618 -3.609 1.00 0.00 H new ATOM 0 HG LEU A 46 3.278 -5.788 -1.041 1.00 0.00 H new ATOM 0 HD11 LEU A 46 2.459 -3.915 -2.428 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.237 -3.952 -2.352 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.396 -4.536 -3.808 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.155 -5.997 -2.281 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.035 -6.701 -3.659 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.976 -7.566 -2.105 1.00 0.00 H new ATOM 776 N LYS A 47 6.564 -9.076 -3.061 1.00 0.00 N ATOM 777 CA LYS A 47 7.342 -9.864 -4.010 1.00 0.00 C ATOM 778 C LYS A 47 7.090 -11.354 -3.801 1.00 0.00 C ATOM 779 O LYS A 47 6.780 -12.085 -4.746 1.00 0.00 O ATOM 780 CB LYS A 47 8.835 -9.563 -3.853 1.00 0.00 C ATOM 781 CG LYS A 47 9.228 -8.170 -4.312 1.00 0.00 C ATOM 782 CD LYS A 47 8.819 -7.919 -5.754 1.00 0.00 C ATOM 783 CE LYS A 47 9.885 -7.141 -6.508 1.00 0.00 C ATOM 784 NZ LYS A 47 11.111 -7.954 -6.736 1.00 0.00 N ATOM 0 H LYS A 47 7.117 -8.614 -2.339 1.00 0.00 H new ATOM 0 HA LYS A 47 7.029 -9.592 -5.018 1.00 0.00 H new ATOM 0 HB2 LYS A 47 9.113 -9.683 -2.806 1.00 0.00 H new ATOM 0 HB3 LYS A 47 9.406 -10.298 -4.420 1.00 0.00 H new ATOM 0 HG2 LYS A 47 8.759 -7.428 -3.666 1.00 0.00 H new ATOM 0 HG3 LYS A 47 10.306 -8.044 -4.212 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.640 -8.871 -6.254 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.880 -7.366 -5.776 1.00 0.00 H new ATOM 0 HE2 LYS A 47 9.484 -6.812 -7.467 1.00 0.00 H new ATOM 0 HE3 LYS A 47 10.144 -6.243 -5.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 11.670 -7.531 -7.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 11.680 -7.976 -5.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 10.841 -8.924 -6.997 1.00 0.00 H new ATOM 798 N LEU A 48 7.218 -11.797 -2.552 1.00 0.00 N ATOM 799 CA LEU A 48 7.000 -13.198 -2.210 1.00 0.00 C ATOM 800 C LEU A 48 5.652 -13.686 -2.731 1.00 0.00 C ATOM 801 O LEU A 48 5.476 -14.872 -3.012 1.00 0.00 O ATOM 802 CB LEU A 48 7.073 -13.390 -0.693 1.00 0.00 C ATOM 803 CG LEU A 48 8.487 -13.400 -0.108 1.00 0.00 C ATOM 804 CD1 LEU A 48 8.458 -13.001 1.358 1.00 0.00 C ATOM 805 CD2 LEU A 48 9.122 -14.772 -0.277 1.00 0.00 C ATOM 0 H LEU A 48 7.472 -11.205 -1.761 1.00 0.00 H new ATOM 0 HA LEU A 48 7.785 -13.787 -2.684 1.00 0.00 H new ATOM 0 HB2 LEU A 48 6.504 -12.594 -0.214 1.00 0.00 H new ATOM 0 HB3 LEU A 48 6.584 -14.330 -0.437 1.00 0.00 H new ATOM 0 HG LEU A 48 9.091 -12.673 -0.650 1.00 0.00 H new ATOM 0 HD11 LEU A 48 9.472 -13.013 1.759 1.00 0.00 H new ATOM 0 HD12 LEU A 48 8.042 -11.998 1.454 1.00 0.00 H new ATOM 0 HD13 LEU A 48 7.839 -13.705 1.915 1.00 0.00 H new ATOM 0 HD21 LEU A 48 10.127 -14.762 0.144 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.519 -15.518 0.240 1.00 0.00 H new ATOM 0 HD23 LEU A 48 9.175 -15.020 -1.337 1.00 0.00 H new ATOM 817 N VAL A 49 4.704 -12.764 -2.862 1.00 0.00 N ATOM 818 CA VAL A 49 3.375 -13.099 -3.355 1.00 0.00 C ATOM 819 C VAL A 49 3.225 -12.712 -4.821 1.00 0.00 C ATOM 820 O VAL A 49 2.453 -13.321 -5.560 1.00 0.00 O ATOM 821 CB VAL A 49 2.279 -12.396 -2.534 1.00 0.00 C ATOM 822 CG1 VAL A 49 0.900 -12.892 -2.941 1.00 0.00 C ATOM 823 CG2 VAL A 49 2.512 -12.605 -1.050 1.00 0.00 C ATOM 0 H VAL A 49 4.833 -11.778 -2.633 1.00 0.00 H new ATOM 0 HA VAL A 49 3.258 -14.178 -3.251 1.00 0.00 H new ATOM 0 HB VAL A 49 2.327 -11.327 -2.740 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.140 -12.382 -2.348 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.736 -12.684 -3.998 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.834 -13.966 -2.768 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.728 -12.101 -0.484 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.494 -13.671 -0.825 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.482 -12.192 -0.772 1.00 0.00 H new ATOM 833 N ILE A 50 3.971 -11.692 -5.232 1.00 0.00 N ATOM 834 CA ILE A 50 3.925 -11.213 -6.606 1.00 0.00 C ATOM 835 C ILE A 50 5.166 -11.644 -7.382 1.00 0.00 C ATOM 836 O ILE A 50 5.564 -11.001 -8.354 1.00 0.00 O ATOM 837 CB ILE A 50 3.793 -9.678 -6.654 1.00 0.00 C ATOM 838 CG1 ILE A 50 2.592 -9.224 -5.824 1.00 0.00 C ATOM 839 CG2 ILE A 50 3.660 -9.197 -8.087 1.00 0.00 C ATOM 840 CD1 ILE A 50 2.615 -7.752 -5.485 1.00 0.00 C ATOM 0 H ILE A 50 4.616 -11.181 -4.630 1.00 0.00 H new ATOM 0 HA ILE A 50 3.046 -11.658 -7.073 1.00 0.00 H new ATOM 0 HB ILE A 50 4.696 -9.240 -6.229 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.677 -9.448 -6.371 1.00 0.00 H new ATOM 0 HG13 ILE A 50 2.560 -9.801 -4.900 1.00 0.00 H new ATOM 0 HG21 ILE A 50 3.568 -8.111 -8.099 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.543 -9.493 -8.654 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.773 -9.641 -8.539 1.00 0.00 H new ATOM 0 HD11 ILE A 50 1.733 -7.501 -4.895 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.513 -7.525 -4.910 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.615 -7.167 -6.405 1.00 0.00 H new ATOM 852 N ASN A 51 5.770 -12.741 -6.948 1.00 0.00 N ATOM 853 CA ASN A 51 6.963 -13.273 -7.599 1.00 0.00 C ATOM 854 C ASN A 51 6.784 -13.318 -9.117 1.00 0.00 C ATOM 855 O ASN A 51 7.751 -13.207 -9.870 1.00 0.00 O ATOM 856 CB ASN A 51 7.276 -14.675 -7.069 1.00 0.00 C ATOM 857 CG ASN A 51 8.521 -14.702 -6.205 1.00 0.00 C ATOM 858 OD1 ASN A 51 8.440 -14.714 -4.976 1.00 0.00 O ATOM 859 ND2 ASN A 51 9.686 -14.711 -6.846 1.00 0.00 N ATOM 0 H ASN A 51 5.453 -13.283 -6.144 1.00 0.00 H new ATOM 0 HA ASN A 51 7.797 -12.610 -7.370 1.00 0.00 H new ATOM 0 HB2 ASN A 51 6.427 -15.039 -6.490 1.00 0.00 H new ATOM 0 HB3 ASN A 51 7.405 -15.357 -7.909 1.00 0.00 H new ATOM 0 HD21 ASN A 51 10.559 -14.729 -6.318 1.00 0.00 H new ATOM 0 HD22 ASN A 51 9.707 -14.700 -7.866 1.00 0.00 H new ATOM 866 N GLU A 52 5.538 -13.476 -9.555 1.00 0.00 N ATOM 867 CA GLU A 52 5.227 -13.529 -10.978 1.00 0.00 C ATOM 868 C GLU A 52 4.776 -12.159 -11.483 1.00 0.00 C ATOM 869 O GLU A 52 4.243 -11.354 -10.721 1.00 0.00 O ATOM 870 CB GLU A 52 4.139 -14.569 -11.246 1.00 0.00 C ATOM 871 CG GLU A 52 4.400 -15.910 -10.576 1.00 0.00 C ATOM 872 CD GLU A 52 4.605 -17.032 -11.576 1.00 0.00 C ATOM 873 OE1 GLU A 52 5.092 -16.753 -12.691 1.00 0.00 O ATOM 874 OE2 GLU A 52 4.278 -18.191 -11.242 1.00 0.00 O ATOM 0 H GLU A 52 4.727 -13.570 -8.943 1.00 0.00 H new ATOM 0 HA GLU A 52 6.131 -13.817 -11.514 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.182 -14.179 -10.899 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.050 -14.721 -12.322 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.282 -15.829 -9.941 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.561 -16.157 -9.926 1.00 0.00 H new ATOM 881 N PRO A 53 4.985 -11.878 -12.781 1.00 0.00 N ATOM 882 CA PRO A 53 4.599 -10.597 -13.384 1.00 0.00 C ATOM 883 C PRO A 53 3.086 -10.419 -13.475 1.00 0.00 C ATOM 884 O PRO A 53 2.591 -9.299 -13.593 1.00 0.00 O ATOM 885 CB PRO A 53 5.213 -10.660 -14.781 1.00 0.00 C ATOM 886 CG PRO A 53 5.329 -12.111 -15.074 1.00 0.00 C ATOM 887 CD PRO A 53 5.616 -12.779 -13.759 1.00 0.00 C ATOM 0 HA PRO A 53 4.944 -9.753 -12.787 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.583 -10.157 -15.514 1.00 0.00 H new ATOM 0 HB3 PRO A 53 6.187 -10.171 -14.809 1.00 0.00 H new ATOM 0 HG2 PRO A 53 4.408 -12.495 -15.514 1.00 0.00 H new ATOM 0 HG3 PRO A 53 6.128 -12.301 -15.791 1.00 0.00 H new ATOM 0 HD2 PRO A 53 5.191 -13.782 -13.715 1.00 0.00 H new ATOM 0 HD3 PRO A 53 6.687 -12.878 -13.583 1.00 0.00 H new ATOM 895 N SER A 54 2.356 -11.530 -13.428 1.00 0.00 N ATOM 896 CA SER A 54 0.899 -11.494 -13.512 1.00 0.00 C ATOM 897 C SER A 54 0.297 -10.708 -12.350 1.00 0.00 C ATOM 898 O SER A 54 -0.718 -10.030 -12.509 1.00 0.00 O ATOM 899 CB SER A 54 0.336 -12.915 -13.526 1.00 0.00 C ATOM 900 OG SER A 54 -0.784 -13.011 -14.389 1.00 0.00 O ATOM 0 H SER A 54 2.749 -12.466 -13.332 1.00 0.00 H new ATOM 0 HA SER A 54 0.629 -10.990 -14.440 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.109 -13.613 -13.849 1.00 0.00 H new ATOM 0 HB3 SER A 54 0.047 -13.205 -12.516 1.00 0.00 H new ATOM 0 HG SER A 54 -1.125 -13.930 -14.382 1.00 0.00 H new ATOM 906 N ARG A 55 0.926 -10.807 -11.182 1.00 0.00 N ATOM 907 CA ARG A 55 0.446 -10.109 -9.993 1.00 0.00 C ATOM 908 C ARG A 55 1.026 -8.696 -9.895 1.00 0.00 C ATOM 909 O ARG A 55 0.985 -8.074 -8.833 1.00 0.00 O ATOM 910 CB ARG A 55 0.804 -10.904 -8.737 1.00 0.00 C ATOM 911 CG ARG A 55 -0.165 -12.036 -8.436 1.00 0.00 C ATOM 912 CD ARG A 55 0.530 -13.188 -7.726 1.00 0.00 C ATOM 913 NE ARG A 55 -0.179 -14.453 -7.907 1.00 0.00 N ATOM 914 CZ ARG A 55 -0.316 -15.063 -9.081 1.00 0.00 C ATOM 915 NH1 ARG A 55 0.209 -14.534 -10.180 1.00 0.00 N ATOM 916 NH2 ARG A 55 -0.981 -16.208 -9.158 1.00 0.00 N ATOM 0 H ARG A 55 1.768 -11.363 -11.034 1.00 0.00 H new ATOM 0 HA ARG A 55 -0.638 -10.023 -10.075 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.807 -11.316 -8.852 1.00 0.00 H new ATOM 0 HB3 ARG A 55 0.834 -10.226 -7.884 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -0.981 -11.664 -7.816 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -0.609 -12.394 -9.365 1.00 0.00 H new ATOM 0 HD2 ARG A 55 1.547 -13.286 -8.105 1.00 0.00 H new ATOM 0 HD3 ARG A 55 0.606 -12.965 -6.662 1.00 0.00 H new ATOM 0 HE ARG A 55 -0.593 -14.894 -7.085 1.00 0.00 H new ATOM 0 HH11 ARG A 55 0.722 -13.654 -10.128 1.00 0.00 H new ATOM 0 HH12 ARG A 55 0.100 -15.008 -11.077 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -1.387 -16.620 -8.318 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -1.087 -16.677 -10.058 1.00 0.00 H new ATOM 930 N LEU A 56 1.566 -8.192 -11.001 1.00 0.00 N ATOM 931 CA LEU A 56 2.153 -6.857 -11.032 1.00 0.00 C ATOM 932 C LEU A 56 1.159 -5.782 -10.579 1.00 0.00 C ATOM 933 O LEU A 56 1.511 -4.894 -9.803 1.00 0.00 O ATOM 934 CB LEU A 56 2.654 -6.532 -12.442 1.00 0.00 C ATOM 935 CG LEU A 56 4.062 -7.037 -12.761 1.00 0.00 C ATOM 936 CD1 LEU A 56 4.266 -7.137 -14.264 1.00 0.00 C ATOM 937 CD2 LEU A 56 5.108 -6.125 -12.139 1.00 0.00 C ATOM 0 H LEU A 56 1.609 -8.690 -11.890 1.00 0.00 H new ATOM 0 HA LEU A 56 2.990 -6.855 -10.334 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.959 -6.958 -13.165 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.633 -5.451 -12.579 1.00 0.00 H new ATOM 0 HG LEU A 56 4.176 -8.033 -12.333 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.273 -7.498 -14.471 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.538 -7.831 -14.685 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.133 -6.154 -14.715 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.104 -6.499 -12.376 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.995 -5.117 -12.537 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.976 -6.105 -11.057 1.00 0.00 H new ATOM 949 N PRO A 57 -0.097 -5.836 -11.066 1.00 0.00 N ATOM 950 CA PRO A 57 -1.129 -4.853 -10.711 1.00 0.00 C ATOM 951 C PRO A 57 -1.167 -4.513 -9.222 1.00 0.00 C ATOM 952 O PRO A 57 -1.626 -3.438 -8.838 1.00 0.00 O ATOM 953 CB PRO A 57 -2.419 -5.549 -11.135 1.00 0.00 C ATOM 954 CG PRO A 57 -2.019 -6.390 -12.295 1.00 0.00 C ATOM 955 CD PRO A 57 -0.612 -6.849 -12.011 1.00 0.00 C ATOM 0 HA PRO A 57 -0.951 -3.893 -11.195 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -2.828 -6.155 -10.327 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -3.187 -4.828 -11.413 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.691 -7.241 -12.410 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -2.064 -5.821 -13.223 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.597 -7.848 -11.575 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.013 -6.889 -12.921 1.00 0.00 H new ATOM 963 N LEU A 58 -0.689 -5.429 -8.384 1.00 0.00 N ATOM 964 CA LEU A 58 -0.683 -5.209 -6.938 1.00 0.00 C ATOM 965 C LEU A 58 0.017 -3.901 -6.577 1.00 0.00 C ATOM 966 O LEU A 58 -0.541 -3.064 -5.869 1.00 0.00 O ATOM 967 CB LEU A 58 0.003 -6.378 -6.229 1.00 0.00 C ATOM 968 CG LEU A 58 -0.867 -7.115 -5.206 1.00 0.00 C ATOM 969 CD1 LEU A 58 -1.100 -6.247 -3.980 1.00 0.00 C ATOM 970 CD2 LEU A 58 -2.192 -7.527 -5.831 1.00 0.00 C ATOM 0 H LEU A 58 -0.303 -6.326 -8.678 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.719 -5.142 -6.607 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.338 -7.093 -6.980 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.894 -6.005 -5.724 1.00 0.00 H new ATOM 0 HG LEU A 58 -0.341 -8.017 -4.892 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.720 -6.787 -3.264 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.143 -6.003 -3.519 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.605 -5.327 -4.276 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.797 -8.049 -5.090 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.724 -6.640 -6.174 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.005 -8.188 -6.678 1.00 0.00 H new ATOM 982 N PHE A 59 1.241 -3.734 -7.064 1.00 0.00 N ATOM 983 CA PHE A 59 2.019 -2.529 -6.786 1.00 0.00 C ATOM 984 C PHE A 59 1.222 -1.266 -7.103 1.00 0.00 C ATOM 985 O PHE A 59 1.145 -0.347 -6.287 1.00 0.00 O ATOM 986 CB PHE A 59 3.318 -2.539 -7.593 1.00 0.00 C ATOM 987 CG PHE A 59 4.149 -3.772 -7.380 1.00 0.00 C ATOM 988 CD1 PHE A 59 4.859 -3.950 -6.204 1.00 0.00 C ATOM 989 CD2 PHE A 59 4.220 -4.753 -8.356 1.00 0.00 C ATOM 990 CE1 PHE A 59 5.625 -5.084 -6.005 1.00 0.00 C ATOM 991 CE2 PHE A 59 4.984 -5.887 -8.164 1.00 0.00 C ATOM 992 CZ PHE A 59 5.688 -6.054 -6.987 1.00 0.00 C ATOM 0 H PHE A 59 1.717 -4.417 -7.653 1.00 0.00 H new ATOM 0 HA PHE A 59 2.255 -2.524 -5.722 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.078 -2.451 -8.653 1.00 0.00 H new ATOM 0 HB3 PHE A 59 3.908 -1.663 -7.326 1.00 0.00 H new ATOM 0 HD1 PHE A 59 4.814 -3.194 -5.434 1.00 0.00 H new ATOM 0 HD2 PHE A 59 3.671 -4.629 -9.278 1.00 0.00 H new ATOM 0 HE1 PHE A 59 6.173 -5.211 -5.083 1.00 0.00 H new ATOM 0 HE2 PHE A 59 5.031 -6.643 -8.934 1.00 0.00 H new ATOM 0 HZ PHE A 59 6.286 -6.940 -6.835 1.00 0.00 H new ATOM 1002 N ASP A 60 0.629 -1.230 -8.291 1.00 0.00 N ATOM 1003 CA ASP A 60 -0.162 -0.080 -8.714 1.00 0.00 C ATOM 1004 C ASP A 60 -1.510 -0.060 -8.005 1.00 0.00 C ATOM 1005 O ASP A 60 -2.127 0.990 -7.853 1.00 0.00 O ATOM 1006 CB ASP A 60 -0.368 -0.105 -10.230 1.00 0.00 C ATOM 1007 CG ASP A 60 -0.426 1.286 -10.829 1.00 0.00 C ATOM 1008 OD1 ASP A 60 -1.517 1.895 -10.814 1.00 0.00 O ATOM 1009 OD2 ASP A 60 0.619 1.768 -11.313 1.00 0.00 O ATOM 0 H ASP A 60 0.681 -1.983 -8.977 1.00 0.00 H new ATOM 0 HA ASP A 60 0.383 0.825 -8.445 1.00 0.00 H new ATOM 0 HB2 ASP A 60 0.444 -0.664 -10.695 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -1.292 -0.635 -10.459 1.00 0.00 H new ATOM 1014 N ALA A 61 -1.961 -1.233 -7.580 1.00 0.00 N ATOM 1015 CA ALA A 61 -3.233 -1.364 -6.890 1.00 0.00 C ATOM 1016 C ALA A 61 -3.199 -0.703 -5.513 1.00 0.00 C ATOM 1017 O ALA A 61 -4.074 0.092 -5.172 1.00 0.00 O ATOM 1018 CB ALA A 61 -3.597 -2.834 -6.763 1.00 0.00 C ATOM 0 H ALA A 61 -1.459 -2.112 -7.703 1.00 0.00 H new ATOM 0 HA ALA A 61 -3.993 -0.851 -7.479 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -4.551 -2.929 -6.245 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -3.677 -3.276 -7.756 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -2.824 -3.353 -6.197 1.00 0.00 H new ATOM 1024 N ILE A 62 -2.192 -1.056 -4.720 1.00 0.00 N ATOM 1025 CA ILE A 62 -2.040 -0.517 -3.369 1.00 0.00 C ATOM 1026 C ILE A 62 -1.533 0.927 -3.376 1.00 0.00 C ATOM 1027 O ILE A 62 -1.892 1.724 -2.511 1.00 0.00 O ATOM 1028 CB ILE A 62 -1.088 -1.386 -2.517 1.00 0.00 C ATOM 1029 CG1 ILE A 62 -1.361 -2.874 -2.750 1.00 0.00 C ATOM 1030 CG2 ILE A 62 -1.243 -1.047 -1.042 1.00 0.00 C ATOM 1031 CD1 ILE A 62 -0.392 -3.786 -2.028 1.00 0.00 C ATOM 0 H ILE A 62 -1.464 -1.717 -4.990 1.00 0.00 H new ATOM 0 HA ILE A 62 -3.035 -0.532 -2.924 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.063 -1.172 -2.821 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -2.376 -3.104 -2.425 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.314 -3.081 -3.819 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -0.567 -1.667 -0.453 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -1.003 0.004 -0.883 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -2.271 -1.236 -0.731 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.645 -4.825 -2.238 1.00 0.00 H new ATOM 0 HD12 ILE A 62 0.623 -3.583 -2.371 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.455 -3.607 -0.955 1.00 0.00 H new ATOM 1043 N ARG A 63 -0.677 1.249 -4.340 1.00 0.00 N ATOM 1044 CA ARG A 63 -0.092 2.588 -4.447 1.00 0.00 C ATOM 1045 C ARG A 63 -1.111 3.713 -4.209 1.00 0.00 C ATOM 1046 O ARG A 63 -0.857 4.617 -3.414 1.00 0.00 O ATOM 1047 CB ARG A 63 0.554 2.766 -5.821 1.00 0.00 C ATOM 1048 CG ARG A 63 1.519 3.940 -5.892 1.00 0.00 C ATOM 1049 CD ARG A 63 2.419 3.850 -7.115 1.00 0.00 C ATOM 1050 NE ARG A 63 3.834 3.797 -6.752 1.00 0.00 N ATOM 1051 CZ ARG A 63 4.794 3.370 -7.569 1.00 0.00 C ATOM 1052 NH1 ARG A 63 4.496 2.960 -8.797 1.00 0.00 N ATOM 1053 NH2 ARG A 63 6.055 3.353 -7.160 1.00 0.00 N ATOM 0 H ARG A 63 -0.369 0.600 -5.064 1.00 0.00 H new ATOM 0 HA ARG A 63 0.658 2.665 -3.660 1.00 0.00 H new ATOM 0 HB2 ARG A 63 1.087 1.852 -6.084 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.229 2.904 -6.566 1.00 0.00 H new ATOM 0 HG2 ARG A 63 0.956 4.873 -5.921 1.00 0.00 H new ATOM 0 HG3 ARG A 63 2.131 3.964 -4.990 1.00 0.00 H new ATOM 0 HD2 ARG A 63 2.159 2.962 -7.691 1.00 0.00 H new ATOM 0 HD3 ARG A 63 2.242 4.711 -7.759 1.00 0.00 H new ATOM 0 HE ARG A 63 4.101 4.106 -5.817 1.00 0.00 H new ATOM 0 HH11 ARG A 63 3.528 2.972 -9.118 1.00 0.00 H new ATOM 0 HH12 ARG A 63 5.235 2.634 -9.419 1.00 0.00 H new ATOM 0 HH21 ARG A 63 6.290 3.667 -6.219 1.00 0.00 H new ATOM 0 HH22 ARG A 63 6.790 3.026 -7.787 1.00 0.00 H new ATOM 1067 N PRO A 64 -2.268 3.700 -4.900 1.00 0.00 N ATOM 1068 CA PRO A 64 -3.286 4.751 -4.748 1.00 0.00 C ATOM 1069 C PRO A 64 -3.712 4.968 -3.298 1.00 0.00 C ATOM 1070 O PRO A 64 -3.671 6.091 -2.797 1.00 0.00 O ATOM 1071 CB PRO A 64 -4.470 4.245 -5.586 1.00 0.00 C ATOM 1072 CG PRO A 64 -4.173 2.812 -5.872 1.00 0.00 C ATOM 1073 CD PRO A 64 -2.677 2.695 -5.887 1.00 0.00 C ATOM 0 HA PRO A 64 -2.902 5.719 -5.071 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -5.409 4.350 -5.042 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -4.570 4.817 -6.509 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -4.607 2.164 -5.111 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -4.598 2.509 -6.829 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -2.346 1.695 -5.608 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -2.264 2.904 -6.874 1.00 0.00 H new ATOM 1081 N LEU A 65 -4.120 3.897 -2.624 1.00 0.00 N ATOM 1082 CA LEU A 65 -4.548 4.000 -1.231 1.00 0.00 C ATOM 1083 C LEU A 65 -3.355 4.198 -0.296 1.00 0.00 C ATOM 1084 O LEU A 65 -3.529 4.455 0.897 1.00 0.00 O ATOM 1085 CB LEU A 65 -5.351 2.765 -0.811 1.00 0.00 C ATOM 1086 CG LEU A 65 -4.808 1.425 -1.309 1.00 0.00 C ATOM 1087 CD1 LEU A 65 -4.930 0.361 -0.227 1.00 0.00 C ATOM 1088 CD2 LEU A 65 -5.538 0.990 -2.570 1.00 0.00 C ATOM 0 H LEU A 65 -4.164 2.956 -3.014 1.00 0.00 H new ATOM 0 HA LEU A 65 -5.192 4.876 -1.152 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.397 2.736 0.278 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -6.374 2.879 -1.170 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.752 1.550 -1.548 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -4.538 -0.585 -0.601 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -4.361 0.668 0.651 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -5.978 0.237 0.045 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -5.139 0.035 -2.910 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -6.602 0.883 -2.356 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -5.398 1.740 -3.349 1.00 0.00 H new ATOM 1100 N ILE A 66 -2.144 4.082 -0.837 1.00 0.00 N ATOM 1101 CA ILE A 66 -0.934 4.255 -0.041 1.00 0.00 C ATOM 1102 C ILE A 66 -0.596 5.741 0.118 1.00 0.00 C ATOM 1103 O ILE A 66 -0.635 6.498 -0.851 1.00 0.00 O ATOM 1104 CB ILE A 66 0.267 3.512 -0.681 1.00 0.00 C ATOM 1105 CG1 ILE A 66 0.236 2.028 -0.308 1.00 0.00 C ATOM 1106 CG2 ILE A 66 1.593 4.132 -0.256 1.00 0.00 C ATOM 1107 CD1 ILE A 66 1.395 1.239 -0.879 1.00 0.00 C ATOM 0 H ILE A 66 -1.976 3.870 -1.820 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.125 3.827 0.943 1.00 0.00 H new ATOM 0 HB ILE A 66 0.180 3.609 -1.763 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.242 1.934 0.778 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -0.699 1.592 -0.660 1.00 0.00 H new ATOM 0 HG21 ILE A 66 2.415 3.588 -0.722 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.624 5.175 -0.570 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.690 4.077 0.828 1.00 0.00 H new ATOM 0 HD11 ILE A 66 1.310 0.196 -0.575 1.00 0.00 H new ATOM 0 HD12 ILE A 66 1.378 1.303 -1.967 1.00 0.00 H new ATOM 0 HD13 ILE A 66 2.333 1.650 -0.507 1.00 0.00 H new ATOM 1119 N PRO A 67 -0.255 6.174 1.348 1.00 0.00 N ATOM 1120 CA PRO A 67 0.097 7.567 1.638 1.00 0.00 C ATOM 1121 C PRO A 67 0.952 8.194 0.564 1.00 0.00 C ATOM 1122 O PRO A 67 1.900 7.601 0.051 1.00 0.00 O ATOM 1123 CB PRO A 67 0.862 7.492 2.969 1.00 0.00 C ATOM 1124 CG PRO A 67 0.869 6.048 3.377 1.00 0.00 C ATOM 1125 CD PRO A 67 -0.178 5.350 2.556 1.00 0.00 C ATOM 0 HA PRO A 67 -0.792 8.196 1.685 1.00 0.00 H new ATOM 0 HB2 PRO A 67 1.879 7.867 2.853 1.00 0.00 H new ATOM 0 HB3 PRO A 67 0.380 8.107 3.729 1.00 0.00 H new ATOM 0 HG2 PRO A 67 1.850 5.605 3.207 1.00 0.00 H new ATOM 0 HG3 PRO A 67 0.654 5.948 4.441 1.00 0.00 H new ATOM 0 HD2 PRO A 67 0.108 4.323 2.326 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -1.135 5.306 3.076 1.00 0.00 H new ATOM 1133 N LEU A 68 0.583 9.416 0.242 1.00 0.00 N ATOM 1134 CA LEU A 68 1.250 10.208 -0.761 1.00 0.00 C ATOM 1135 C LEU A 68 2.763 10.240 -0.539 1.00 0.00 C ATOM 1136 O LEU A 68 3.538 10.080 -1.480 1.00 0.00 O ATOM 1137 CB LEU A 68 0.664 11.605 -0.686 1.00 0.00 C ATOM 1138 CG LEU A 68 -0.333 11.941 -1.787 1.00 0.00 C ATOM 1139 CD1 LEU A 68 -0.896 13.341 -1.590 1.00 0.00 C ATOM 1140 CD2 LEU A 68 0.316 11.809 -3.158 1.00 0.00 C ATOM 0 H LEU A 68 -0.205 9.893 0.681 1.00 0.00 H new ATOM 0 HA LEU A 68 1.095 9.773 -1.748 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.172 11.726 0.279 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.479 12.328 -0.721 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.158 11.230 -1.731 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.606 13.563 -2.386 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -1.402 13.397 -0.626 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -0.083 14.067 -1.616 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -0.413 12.053 -3.931 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.162 12.493 -3.228 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.665 10.786 -3.299 1.00 0.00 H new ATOM 1152 N LYS A 69 3.177 10.437 0.708 1.00 0.00 N ATOM 1153 CA LYS A 69 4.597 10.473 1.035 1.00 0.00 C ATOM 1154 C LYS A 69 5.215 9.096 0.827 1.00 0.00 C ATOM 1155 O LYS A 69 6.276 8.958 0.210 1.00 0.00 O ATOM 1156 CB LYS A 69 4.804 10.933 2.481 1.00 0.00 C ATOM 1157 CG LYS A 69 4.062 10.088 3.504 1.00 0.00 C ATOM 1158 CD LYS A 69 4.267 10.616 4.915 1.00 0.00 C ATOM 1159 CE LYS A 69 3.477 9.809 5.932 1.00 0.00 C ATOM 1160 NZ LYS A 69 4.228 9.637 7.206 1.00 0.00 N ATOM 0 H LYS A 69 2.554 10.573 1.504 1.00 0.00 H new ATOM 0 HA LYS A 69 5.089 11.186 0.373 1.00 0.00 H new ATOM 0 HB2 LYS A 69 5.869 10.913 2.710 1.00 0.00 H new ATOM 0 HB3 LYS A 69 4.478 11.969 2.573 1.00 0.00 H new ATOM 0 HG2 LYS A 69 2.998 10.080 3.268 1.00 0.00 H new ATOM 0 HG3 LYS A 69 4.409 9.056 3.446 1.00 0.00 H new ATOM 0 HD2 LYS A 69 5.327 10.583 5.167 1.00 0.00 H new ATOM 0 HD3 LYS A 69 3.961 11.661 4.962 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.529 10.307 6.134 1.00 0.00 H new ATOM 0 HE3 LYS A 69 3.240 8.830 5.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 3.656 9.081 7.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 5.121 9.139 7.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 4.432 10.570 7.618 1.00 0.00 H new ATOM 1174 N HIS A 70 4.535 8.075 1.338 1.00 0.00 N ATOM 1175 CA HIS A 70 5.003 6.705 1.201 1.00 0.00 C ATOM 1176 C HIS A 70 5.007 6.286 -0.263 1.00 0.00 C ATOM 1177 O HIS A 70 5.805 5.446 -0.672 1.00 0.00 O ATOM 1178 CB HIS A 70 4.125 5.760 2.020 1.00 0.00 C ATOM 1179 CG HIS A 70 4.315 5.904 3.498 1.00 0.00 C ATOM 1180 ND1 HIS A 70 3.706 5.082 4.423 1.00 0.00 N ATOM 1181 CD2 HIS A 70 5.057 6.785 4.212 1.00 0.00 C ATOM 1182 CE1 HIS A 70 4.065 5.450 5.640 1.00 0.00 C ATOM 1183 NE2 HIS A 70 4.884 6.481 5.539 1.00 0.00 N ATOM 0 H HIS A 70 3.658 8.173 1.850 1.00 0.00 H new ATOM 0 HA HIS A 70 6.024 6.650 1.579 1.00 0.00 H new ATOM 0 HB2 HIS A 70 3.079 5.945 1.776 1.00 0.00 H new ATOM 0 HB3 HIS A 70 4.343 4.732 1.731 1.00 0.00 H new ATOM 0 HD2 HIS A 70 5.670 7.579 3.811 1.00 0.00 H new ATOM 0 HE1 HIS A 70 3.743 4.986 6.561 1.00 0.00 H new ATOM 0 HE2 HIS A 70 5.318 6.972 6.321 1.00 0.00 H new ATOM 1192 N GLN A 71 4.118 6.886 -1.054 1.00 0.00 N ATOM 1193 CA GLN A 71 4.037 6.578 -2.477 1.00 0.00 C ATOM 1194 C GLN A 71 5.367 6.890 -3.150 1.00 0.00 C ATOM 1195 O GLN A 71 5.936 6.052 -3.853 1.00 0.00 O ATOM 1196 CB GLN A 71 2.913 7.379 -3.139 1.00 0.00 C ATOM 1197 CG GLN A 71 1.537 6.761 -2.961 1.00 0.00 C ATOM 1198 CD GLN A 71 0.435 7.610 -3.565 1.00 0.00 C ATOM 1199 OE1 GLN A 71 0.585 7.954 -4.840 1.00 0.00 O flip ATOM 1200 NE2 GLN A 71 -0.540 7.952 -2.895 1.00 0.00 N flip ATOM 0 H GLN A 71 3.448 7.585 -0.733 1.00 0.00 H new ATOM 0 HA GLN A 71 3.817 5.517 -2.592 1.00 0.00 H new ATOM 0 HB2 GLN A 71 2.905 8.387 -2.725 1.00 0.00 H new ATOM 0 HB3 GLN A 71 3.124 7.473 -4.204 1.00 0.00 H new ATOM 0 HG2 GLN A 71 1.524 5.773 -3.422 1.00 0.00 H new ATOM 0 HG3 GLN A 71 1.341 6.620 -1.898 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -0.614 7.665 -1.919 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -1.273 8.522 -3.316 1.00 0.00 H new ATOM 1209 N VAL A 72 5.873 8.096 -2.909 1.00 0.00 N ATOM 1210 CA VAL A 72 7.152 8.508 -3.472 1.00 0.00 C ATOM 1211 C VAL A 72 8.243 7.550 -3.023 1.00 0.00 C ATOM 1212 O VAL A 72 8.976 6.996 -3.841 1.00 0.00 O ATOM 1213 CB VAL A 72 7.539 9.933 -3.040 1.00 0.00 C ATOM 1214 CG1 VAL A 72 8.644 10.479 -3.929 1.00 0.00 C ATOM 1215 CG2 VAL A 72 6.327 10.854 -3.055 1.00 0.00 C ATOM 0 H VAL A 72 5.418 8.802 -2.330 1.00 0.00 H new ATOM 0 HA VAL A 72 7.049 8.493 -4.557 1.00 0.00 H new ATOM 0 HB VAL A 72 7.913 9.889 -2.017 1.00 0.00 H new ATOM 0 HG11 VAL A 72 8.904 11.488 -3.608 1.00 0.00 H new ATOM 0 HG12 VAL A 72 9.522 9.837 -3.855 1.00 0.00 H new ATOM 0 HG13 VAL A 72 8.300 10.505 -4.963 1.00 0.00 H new ATOM 0 HG21 VAL A 72 6.627 11.855 -2.746 1.00 0.00 H new ATOM 0 HG22 VAL A 72 5.913 10.894 -4.063 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.572 10.473 -2.367 1.00 0.00 H new ATOM 1225 N GLU A 73 8.331 7.343 -1.709 1.00 0.00 N ATOM 1226 CA GLU A 73 9.320 6.429 -1.154 1.00 0.00 C ATOM 1227 C GLU A 73 9.127 5.045 -1.753 1.00 0.00 C ATOM 1228 O GLU A 73 10.090 4.318 -1.996 1.00 0.00 O ATOM 1229 CB GLU A 73 9.207 6.367 0.371 1.00 0.00 C ATOM 1230 CG GLU A 73 9.948 7.487 1.082 1.00 0.00 C ATOM 1231 CD GLU A 73 9.690 7.498 2.577 1.00 0.00 C ATOM 1232 OE1 GLU A 73 8.606 7.962 2.989 1.00 0.00 O ATOM 1233 OE2 GLU A 73 10.571 7.041 3.335 1.00 0.00 O ATOM 0 H GLU A 73 7.733 7.794 -1.017 1.00 0.00 H new ATOM 0 HA GLU A 73 10.316 6.795 -1.405 1.00 0.00 H new ATOM 0 HB2 GLU A 73 8.154 6.404 0.651 1.00 0.00 H new ATOM 0 HB3 GLU A 73 9.595 5.409 0.717 1.00 0.00 H new ATOM 0 HG2 GLU A 73 11.018 7.382 0.902 1.00 0.00 H new ATOM 0 HG3 GLU A 73 9.646 8.445 0.658 1.00 0.00 H new ATOM 1240 N TYR A 74 7.871 4.705 -2.026 1.00 0.00 N ATOM 1241 CA TYR A 74 7.544 3.428 -2.638 1.00 0.00 C ATOM 1242 C TYR A 74 8.238 3.340 -3.989 1.00 0.00 C ATOM 1243 O TYR A 74 8.670 2.268 -4.415 1.00 0.00 O ATOM 1244 CB TYR A 74 6.030 3.290 -2.811 1.00 0.00 C ATOM 1245 CG TYR A 74 5.562 1.867 -3.023 1.00 0.00 C ATOM 1246 CD1 TYR A 74 5.614 0.935 -1.996 1.00 0.00 C ATOM 1247 CD2 TYR A 74 5.059 1.460 -4.254 1.00 0.00 C ATOM 1248 CE1 TYR A 74 5.180 -0.363 -2.187 1.00 0.00 C ATOM 1249 CE2 TYR A 74 4.623 0.164 -4.453 1.00 0.00 C ATOM 1250 CZ TYR A 74 4.685 -0.744 -3.416 1.00 0.00 C ATOM 1251 OH TYR A 74 4.250 -2.034 -3.610 1.00 0.00 O ATOM 0 H TYR A 74 7.065 5.299 -1.832 1.00 0.00 H new ATOM 0 HA TYR A 74 7.886 2.617 -1.995 1.00 0.00 H new ATOM 0 HB2 TYR A 74 5.535 3.697 -1.929 1.00 0.00 H new ATOM 0 HB3 TYR A 74 5.715 3.896 -3.661 1.00 0.00 H new ATOM 0 HD1 TYR A 74 6.000 1.229 -1.031 1.00 0.00 H new ATOM 0 HD2 TYR A 74 5.008 2.168 -5.068 1.00 0.00 H new ATOM 0 HE1 TYR A 74 5.228 -1.076 -1.377 1.00 0.00 H new ATOM 0 HE2 TYR A 74 4.236 -0.137 -5.415 1.00 0.00 H new ATOM 0 HH TYR A 74 3.283 -2.033 -3.768 1.00 0.00 H new ATOM 1261 N ASP A 75 8.355 4.492 -4.648 1.00 0.00 N ATOM 1262 CA ASP A 75 9.015 4.568 -5.942 1.00 0.00 C ATOM 1263 C ASP A 75 10.524 4.424 -5.778 1.00 0.00 C ATOM 1264 O ASP A 75 11.195 3.821 -6.617 1.00 0.00 O ATOM 1265 CB ASP A 75 8.687 5.893 -6.632 1.00 0.00 C ATOM 1266 CG ASP A 75 8.531 5.742 -8.132 1.00 0.00 C ATOM 1267 OD1 ASP A 75 7.841 4.794 -8.565 1.00 0.00 O ATOM 1268 OD2 ASP A 75 9.098 6.571 -8.874 1.00 0.00 O ATOM 0 H ASP A 75 8.000 5.384 -4.303 1.00 0.00 H new ATOM 0 HA ASP A 75 8.650 3.750 -6.563 1.00 0.00 H new ATOM 0 HB2 ASP A 75 7.766 6.299 -6.213 1.00 0.00 H new ATOM 0 HB3 ASP A 75 9.478 6.614 -6.423 1.00 0.00 H new ATOM 1273 N GLN A 76 11.053 4.981 -4.690 1.00 0.00 N ATOM 1274 CA GLN A 76 12.485 4.913 -4.418 1.00 0.00 C ATOM 1275 C GLN A 76 12.922 3.476 -4.153 1.00 0.00 C ATOM 1276 O GLN A 76 14.043 3.087 -4.482 1.00 0.00 O ATOM 1277 CB GLN A 76 12.839 5.795 -3.219 1.00 0.00 C ATOM 1278 CG GLN A 76 12.364 7.233 -3.360 1.00 0.00 C ATOM 1279 CD GLN A 76 13.096 7.984 -4.455 1.00 0.00 C ATOM 1280 OE1 GLN A 76 14.262 7.711 -4.737 1.00 0.00 O ATOM 1281 NE2 GLN A 76 12.410 8.935 -5.079 1.00 0.00 N ATOM 0 H GLN A 76 10.512 5.483 -3.985 1.00 0.00 H new ATOM 0 HA GLN A 76 13.014 5.277 -5.298 1.00 0.00 H new ATOM 0 HB2 GLN A 76 12.401 5.363 -2.319 1.00 0.00 H new ATOM 0 HB3 GLN A 76 13.920 5.790 -3.082 1.00 0.00 H new ATOM 0 HG2 GLN A 76 11.295 7.239 -3.572 1.00 0.00 H new ATOM 0 HG3 GLN A 76 12.504 7.753 -2.412 1.00 0.00 H new ATOM 0 HE21 GLN A 76 11.445 9.127 -4.811 1.00 0.00 H new ATOM 0 HE22 GLN A 76 12.849 9.474 -5.826 1.00 0.00 H new ATOM 1290 N LEU A 77 12.031 2.691 -3.555 1.00 0.00 N ATOM 1291 CA LEU A 77 12.326 1.297 -3.244 1.00 0.00 C ATOM 1292 C LEU A 77 12.011 0.390 -4.431 1.00 0.00 C ATOM 1293 O LEU A 77 12.596 -0.683 -4.574 1.00 0.00 O ATOM 1294 CB LEU A 77 11.526 0.847 -2.019 1.00 0.00 C ATOM 1295 CG LEU A 77 12.020 1.407 -0.684 1.00 0.00 C ATOM 1296 CD1 LEU A 77 10.848 1.675 0.248 1.00 0.00 C ATOM 1297 CD2 LEU A 77 13.008 0.450 -0.038 1.00 0.00 C ATOM 0 H LEU A 77 11.099 2.997 -3.276 1.00 0.00 H new ATOM 0 HA LEU A 77 13.391 1.219 -3.026 1.00 0.00 H new ATOM 0 HB2 LEU A 77 10.485 1.140 -2.156 1.00 0.00 H new ATOM 0 HB3 LEU A 77 11.547 -0.242 -1.970 1.00 0.00 H new ATOM 0 HG LEU A 77 12.531 2.351 -0.874 1.00 0.00 H new ATOM 0 HD11 LEU A 77 11.218 2.073 1.193 1.00 0.00 H new ATOM 0 HD12 LEU A 77 10.175 2.399 -0.212 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.309 0.745 0.432 1.00 0.00 H new ATOM 0 HD21 LEU A 77 13.349 0.865 0.911 1.00 0.00 H new ATOM 0 HD22 LEU A 77 12.522 -0.510 0.139 1.00 0.00 H new ATOM 0 HD23 LEU A 77 13.862 0.308 -0.700 1.00 0.00 H new ATOM 1398 N ARG B 103 -6.121 7.182 5.193 1.00 0.00 N ATOM 1399 CA ARG B 103 -7.481 6.764 5.518 1.00 0.00 C ATOM 1400 C ARG B 103 -7.898 5.568 4.666 1.00 0.00 C ATOM 1401 O ARG B 103 -8.643 4.701 5.121 1.00 0.00 O ATOM 1402 CB ARG B 103 -8.456 7.923 5.304 1.00 0.00 C ATOM 1403 CG ARG B 103 -9.825 7.690 5.923 1.00 0.00 C ATOM 1404 CD ARG B 103 -10.102 8.665 7.057 1.00 0.00 C ATOM 1405 NE ARG B 103 -10.888 9.814 6.611 1.00 0.00 N ATOM 1406 CZ ARG B 103 -12.206 9.785 6.429 1.00 0.00 C ATOM 1407 NH1 ARG B 103 -12.890 8.669 6.654 1.00 0.00 N ATOM 1408 NH2 ARG B 103 -12.844 10.875 6.025 1.00 0.00 N ATOM 0 HA ARG B 103 -7.505 6.467 6.567 1.00 0.00 H new ATOM 0 HB2 ARG B 103 -8.026 8.831 5.726 1.00 0.00 H new ATOM 0 HB3 ARG B 103 -8.575 8.094 4.234 1.00 0.00 H new ATOM 0 HG2 ARG B 103 -10.593 7.795 5.157 1.00 0.00 H new ATOM 0 HG3 ARG B 103 -9.886 6.668 6.298 1.00 0.00 H new ATOM 0 HD2 ARG B 103 -10.635 8.150 7.856 1.00 0.00 H new ATOM 0 HD3 ARG B 103 -9.157 9.012 7.476 1.00 0.00 H new ATOM 0 HE ARG B 103 -10.397 10.689 6.429 1.00 0.00 H new ATOM 0 HH11 ARG B 103 -12.405 7.828 6.968 1.00 0.00 H new ATOM 0 HH12 ARG B 103 -13.900 8.653 6.513 1.00 0.00 H new ATOM 0 HH21 ARG B 103 -12.325 11.736 5.854 1.00 0.00 H new ATOM 0 HH22 ARG B 103 -13.854 10.852 5.886 1.00 0.00 H new ATOM 1422 N TYR B 104 -7.412 5.530 3.430 1.00 0.00 N ATOM 1423 CA TYR B 104 -7.733 4.442 2.515 1.00 0.00 C ATOM 1424 C TYR B 104 -7.254 3.105 3.070 1.00 0.00 C ATOM 1425 O TYR B 104 -8.023 2.147 3.159 1.00 0.00 O ATOM 1426 CB TYR B 104 -7.095 4.695 1.146 1.00 0.00 C ATOM 1427 CG TYR B 104 -7.742 5.822 0.373 1.00 0.00 C ATOM 1428 CD1 TYR B 104 -7.464 7.150 0.677 1.00 0.00 C ATOM 1429 CD2 TYR B 104 -8.631 5.559 -0.661 1.00 0.00 C ATOM 1430 CE1 TYR B 104 -8.053 8.182 -0.026 1.00 0.00 C ATOM 1431 CE2 TYR B 104 -9.224 6.588 -1.372 1.00 0.00 C ATOM 1432 CZ TYR B 104 -8.933 7.895 -1.049 1.00 0.00 C ATOM 1433 OH TYR B 104 -9.521 8.922 -1.753 1.00 0.00 O ATOM 0 H TYR B 104 -6.794 6.241 3.039 1.00 0.00 H new ATOM 0 HA TYR B 104 -8.817 4.402 2.403 1.00 0.00 H new ATOM 0 HB2 TYR B 104 -6.038 4.921 1.284 1.00 0.00 H new ATOM 0 HB3 TYR B 104 -7.151 3.781 0.554 1.00 0.00 H new ATOM 0 HD1 TYR B 104 -6.775 7.378 1.477 1.00 0.00 H new ATOM 0 HD2 TYR B 104 -8.863 4.535 -0.914 1.00 0.00 H new ATOM 0 HE1 TYR B 104 -7.826 9.208 0.223 1.00 0.00 H new ATOM 0 HE2 TYR B 104 -9.911 6.367 -2.176 1.00 0.00 H new ATOM 0 HH TYR B 104 -10.113 8.551 -2.440 1.00 0.00 H new ATOM 1443 N LEU B 105 -5.979 3.046 3.444 1.00 0.00 N ATOM 1444 CA LEU B 105 -5.397 1.825 3.992 1.00 0.00 C ATOM 1445 C LEU B 105 -6.177 1.354 5.216 1.00 0.00 C ATOM 1446 O LEU B 105 -6.595 0.200 5.290 1.00 0.00 O ATOM 1447 CB LEU B 105 -3.929 2.056 4.361 1.00 0.00 C ATOM 1448 CG LEU B 105 -2.961 0.983 3.861 1.00 0.00 C ATOM 1449 CD1 LEU B 105 -3.020 0.875 2.345 1.00 0.00 C ATOM 1450 CD2 LEU B 105 -1.543 1.289 4.322 1.00 0.00 C ATOM 0 H LEU B 105 -5.329 3.829 3.378 1.00 0.00 H new ATOM 0 HA LEU B 105 -5.453 1.049 3.229 1.00 0.00 H new ATOM 0 HB2 LEU B 105 -3.617 3.021 3.961 1.00 0.00 H new ATOM 0 HB3 LEU B 105 -3.848 2.120 5.446 1.00 0.00 H new ATOM 0 HG LEU B 105 -3.260 0.024 4.284 1.00 0.00 H new ATOM 0 HD11 LEU B 105 -2.324 0.107 2.008 1.00 0.00 H new ATOM 0 HD12 LEU B 105 -4.032 0.609 2.038 1.00 0.00 H new ATOM 0 HD13 LEU B 105 -2.746 1.832 1.901 1.00 0.00 H new ATOM 0 HD21 LEU B 105 -0.867 0.516 3.957 1.00 0.00 H new ATOM 0 HD22 LEU B 105 -1.233 2.257 3.928 1.00 0.00 H new ATOM 0 HD23 LEU B 105 -1.512 1.314 5.411 1.00 0.00 H new ATOM 1462 N ARG B 106 -6.374 2.256 6.170 1.00 0.00 N ATOM 1463 CA ARG B 106 -7.108 1.935 7.387 1.00 0.00 C ATOM 1464 C ARG B 106 -8.532 1.497 7.061 1.00 0.00 C ATOM 1465 O ARG B 106 -9.114 0.669 7.759 1.00 0.00 O ATOM 1466 CB ARG B 106 -7.135 3.142 8.326 1.00 0.00 C ATOM 1467 CG ARG B 106 -7.176 2.767 9.800 1.00 0.00 C ATOM 1468 CD ARG B 106 -8.487 3.188 10.449 1.00 0.00 C ATOM 1469 NE ARG B 106 -8.283 3.728 11.791 1.00 0.00 N ATOM 1470 CZ ARG B 106 -7.842 4.961 12.036 1.00 0.00 C ATOM 1471 NH1 ARG B 106 -7.558 5.782 11.034 1.00 0.00 N ATOM 1472 NH2 ARG B 106 -7.687 5.372 13.287 1.00 0.00 N ATOM 0 H ARG B 106 -6.035 3.217 6.124 1.00 0.00 H new ATOM 0 HA ARG B 106 -6.597 1.110 7.884 1.00 0.00 H new ATOM 0 HB2 ARG B 106 -6.254 3.756 8.140 1.00 0.00 H new ATOM 0 HB3 ARG B 106 -8.005 3.755 8.091 1.00 0.00 H new ATOM 0 HG2 ARG B 106 -7.046 1.690 9.906 1.00 0.00 H new ATOM 0 HG3 ARG B 106 -6.343 3.241 10.320 1.00 0.00 H new ATOM 0 HD2 ARG B 106 -8.976 3.938 9.827 1.00 0.00 H new ATOM 0 HD3 ARG B 106 -9.158 2.331 10.501 1.00 0.00 H new ATOM 0 HE ARG B 106 -8.490 3.125 12.587 1.00 0.00 H new ATOM 0 HH11 ARG B 106 -7.677 5.470 10.070 1.00 0.00 H new ATOM 0 HH12 ARG B 106 -7.221 6.725 11.227 1.00 0.00 H new ATOM 0 HH21 ARG B 106 -7.905 4.744 14.061 1.00 0.00 H new ATOM 0 HH22 ARG B 106 -7.349 6.316 13.476 1.00 0.00 H new ATOM 1486 N GLU B 107 -9.087 2.061 5.991 1.00 0.00 N ATOM 1487 CA GLU B 107 -10.444 1.729 5.568 1.00 0.00 C ATOM 1488 C GLU B 107 -10.567 0.240 5.261 1.00 0.00 C ATOM 1489 O GLU B 107 -11.382 -0.462 5.859 1.00 0.00 O ATOM 1490 CB GLU B 107 -10.832 2.555 4.339 1.00 0.00 C ATOM 1491 CG GLU B 107 -12.121 3.341 4.518 1.00 0.00 C ATOM 1492 CD GLU B 107 -13.283 2.468 4.951 1.00 0.00 C ATOM 1493 OE1 GLU B 107 -13.789 1.695 4.111 1.00 0.00 O ATOM 1494 OE2 GLU B 107 -13.685 2.556 6.129 1.00 0.00 O ATOM 0 H GLU B 107 -8.618 2.749 5.402 1.00 0.00 H new ATOM 0 HA GLU B 107 -11.125 1.968 6.385 1.00 0.00 H new ATOM 0 HB2 GLU B 107 -10.023 3.247 4.106 1.00 0.00 H new ATOM 0 HB3 GLU B 107 -10.938 1.889 3.482 1.00 0.00 H new ATOM 0 HG2 GLU B 107 -11.964 4.124 5.260 1.00 0.00 H new ATOM 0 HG3 GLU B 107 -12.373 3.836 3.580 1.00 0.00 H new ATOM 1501 N ALA B 108 -9.749 -0.236 4.327 1.00 0.00 N ATOM 1502 CA ALA B 108 -9.765 -1.643 3.945 1.00 0.00 C ATOM 1503 C ALA B 108 -9.175 -2.514 5.047 1.00 0.00 C ATOM 1504 O ALA B 108 -9.708 -3.576 5.368 1.00 0.00 O ATOM 1505 CB ALA B 108 -9.000 -1.844 2.644 1.00 0.00 C ATOM 0 H ALA B 108 -9.068 0.331 3.822 1.00 0.00 H new ATOM 0 HA ALA B 108 -10.802 -1.944 3.794 1.00 0.00 H new ATOM 0 HB1 ALA B 108 -9.019 -2.899 2.370 1.00 0.00 H new ATOM 0 HB2 ALA B 108 -9.465 -1.255 1.854 1.00 0.00 H new ATOM 0 HB3 ALA B 108 -7.967 -1.522 2.776 1.00 0.00 H new ATOM 1511 N ILE B 109 -8.073 -2.050 5.628 1.00 0.00 N ATOM 1512 CA ILE B 109 -7.404 -2.776 6.702 1.00 0.00 C ATOM 1513 C ILE B 109 -8.361 -3.029 7.866 1.00 0.00 C ATOM 1514 O ILE B 109 -8.562 -4.171 8.282 1.00 0.00 O ATOM 1515 CB ILE B 109 -6.165 -1.997 7.206 1.00 0.00 C ATOM 1516 CG1 ILE B 109 -5.069 -2.002 6.139 1.00 0.00 C ATOM 1517 CG2 ILE B 109 -5.638 -2.585 8.508 1.00 0.00 C ATOM 1518 CD1 ILE B 109 -3.943 -1.031 6.425 1.00 0.00 C ATOM 0 H ILE B 109 -7.623 -1.171 5.372 1.00 0.00 H new ATOM 0 HA ILE B 109 -7.078 -3.735 6.299 1.00 0.00 H new ATOM 0 HB ILE B 109 -6.467 -0.968 7.400 1.00 0.00 H new ATOM 0 HG12 ILE B 109 -4.658 -3.008 6.056 1.00 0.00 H new ATOM 0 HG13 ILE B 109 -5.512 -1.758 5.173 1.00 0.00 H new ATOM 0 HG21 ILE B 109 -4.768 -2.017 8.838 1.00 0.00 H new ATOM 0 HG22 ILE B 109 -6.415 -2.534 9.271 1.00 0.00 H new ATOM 0 HG23 ILE B 109 -5.354 -3.625 8.349 1.00 0.00 H new ATOM 0 HD11 ILE B 109 -3.202 -1.088 5.628 1.00 0.00 H new ATOM 0 HD12 ILE B 109 -4.341 -0.018 6.479 1.00 0.00 H new ATOM 0 HD13 ILE B 109 -3.474 -1.287 7.375 1.00 0.00 H new ATOM 1530 N GLN B 110 -8.953 -1.958 8.382 1.00 0.00 N ATOM 1531 CA GLN B 110 -9.888 -2.070 9.493 1.00 0.00 C ATOM 1532 C GLN B 110 -11.108 -2.885 9.087 1.00 0.00 C ATOM 1533 O GLN B 110 -11.650 -3.644 9.889 1.00 0.00 O ATOM 1534 CB GLN B 110 -10.319 -0.682 9.973 1.00 0.00 C ATOM 1535 CG GLN B 110 -11.102 -0.706 11.275 1.00 0.00 C ATOM 1536 CD GLN B 110 -10.214 -0.537 12.492 1.00 0.00 C ATOM 1537 OE1 GLN B 110 -9.300 -1.329 12.722 1.00 0.00 O ATOM 1538 NE2 GLN B 110 -10.479 0.498 13.279 1.00 0.00 N ATOM 0 H GLN B 110 -8.802 -1.006 8.050 1.00 0.00 H new ATOM 0 HA GLN B 110 -9.384 -2.583 10.312 1.00 0.00 H new ATOM 0 HB2 GLN B 110 -9.433 -0.060 10.103 1.00 0.00 H new ATOM 0 HB3 GLN B 110 -10.928 -0.212 9.201 1.00 0.00 H new ATOM 0 HG2 GLN B 110 -11.848 0.089 11.261 1.00 0.00 H new ATOM 0 HG3 GLN B 110 -11.643 -1.649 11.352 1.00 0.00 H new ATOM 0 HE21 GLN B 110 -11.247 1.129 13.050 1.00 0.00 H new ATOM 0 HE22 GLN B 110 -9.915 0.662 14.113 1.00 0.00 H new ATOM 1547 N GLU B 111 -11.527 -2.737 7.834 1.00 0.00 N ATOM 1548 CA GLU B 111 -12.675 -3.478 7.329 1.00 0.00 C ATOM 1549 C GLU B 111 -12.456 -4.969 7.536 1.00 0.00 C ATOM 1550 O GLU B 111 -13.372 -5.699 7.918 1.00 0.00 O ATOM 1551 CB GLU B 111 -12.903 -3.173 5.847 1.00 0.00 C ATOM 1552 CG GLU B 111 -14.151 -2.349 5.581 1.00 0.00 C ATOM 1553 CD GLU B 111 -14.091 -0.976 6.221 1.00 0.00 C ATOM 1554 OE1 GLU B 111 -13.411 -0.833 7.258 1.00 0.00 O ATOM 1555 OE2 GLU B 111 -14.722 -0.042 5.682 1.00 0.00 O ATOM 0 H GLU B 111 -11.091 -2.114 7.154 1.00 0.00 H new ATOM 0 HA GLU B 111 -13.563 -3.169 7.880 1.00 0.00 H new ATOM 0 HB2 GLU B 111 -12.036 -2.640 5.457 1.00 0.00 H new ATOM 0 HB3 GLU B 111 -12.974 -4.112 5.298 1.00 0.00 H new ATOM 0 HG2 GLU B 111 -14.286 -2.239 4.505 1.00 0.00 H new ATOM 0 HG3 GLU B 111 -15.022 -2.884 5.959 1.00 0.00 H new ATOM 1562 N TYR B 112 -11.225 -5.409 7.305 1.00 0.00 N ATOM 1563 CA TYR B 112 -10.871 -6.806 7.489 1.00 0.00 C ATOM 1564 C TYR B 112 -10.819 -7.129 8.974 1.00 0.00 C ATOM 1565 O TYR B 112 -11.177 -8.230 9.393 1.00 0.00 O ATOM 1566 CB TYR B 112 -9.525 -7.113 6.831 1.00 0.00 C ATOM 1567 CG TYR B 112 -9.288 -8.588 6.592 1.00 0.00 C ATOM 1568 CD1 TYR B 112 -10.018 -9.280 5.634 1.00 0.00 C ATOM 1569 CD2 TYR B 112 -8.336 -9.286 7.323 1.00 0.00 C ATOM 1570 CE1 TYR B 112 -9.806 -10.627 5.411 1.00 0.00 C ATOM 1571 CE2 TYR B 112 -8.118 -10.634 7.105 1.00 0.00 C ATOM 1572 CZ TYR B 112 -8.855 -11.299 6.150 1.00 0.00 C ATOM 1573 OH TYR B 112 -8.641 -12.640 5.930 1.00 0.00 O ATOM 0 H TYR B 112 -10.457 -4.816 6.990 1.00 0.00 H new ATOM 0 HA TYR B 112 -11.630 -7.427 7.014 1.00 0.00 H new ATOM 0 HB2 TYR B 112 -9.467 -6.586 5.879 1.00 0.00 H new ATOM 0 HB3 TYR B 112 -8.725 -6.723 7.460 1.00 0.00 H new ATOM 0 HD1 TYR B 112 -10.764 -8.757 5.054 1.00 0.00 H new ATOM 0 HD2 TYR B 112 -7.757 -8.768 8.073 1.00 0.00 H new ATOM 0 HE1 TYR B 112 -10.382 -11.151 4.662 1.00 0.00 H new ATOM 0 HE2 TYR B 112 -7.373 -11.163 7.681 1.00 0.00 H new ATOM 0 HH TYR B 112 -7.938 -12.962 6.532 1.00 0.00 H new ATOM 1583 N ASP B 113 -10.393 -6.151 9.771 1.00 0.00 N ATOM 1584 CA ASP B 113 -10.325 -6.332 11.213 1.00 0.00 C ATOM 1585 C ASP B 113 -11.712 -6.649 11.760 1.00 0.00 C ATOM 1586 O ASP B 113 -11.856 -7.380 12.739 1.00 0.00 O ATOM 1587 CB ASP B 113 -9.767 -5.077 11.886 1.00 0.00 C ATOM 1588 CG ASP B 113 -8.275 -5.167 12.134 1.00 0.00 C ATOM 1589 OD1 ASP B 113 -7.845 -6.106 12.836 1.00 0.00 O ATOM 1590 OD2 ASP B 113 -7.534 -4.299 11.624 1.00 0.00 O ATOM 0 H ASP B 113 -10.093 -5.233 9.443 1.00 0.00 H new ATOM 0 HA ASP B 113 -9.656 -7.165 11.430 1.00 0.00 H new ATOM 0 HB2 ASP B 113 -9.976 -4.209 11.260 1.00 0.00 H new ATOM 0 HB3 ASP B 113 -10.281 -4.918 12.834 1.00 0.00 H new ATOM 1595 N ASN B 114 -12.732 -6.098 11.104 1.00 0.00 N ATOM 1596 CA ASN B 114 -14.113 -6.324 11.507 1.00 0.00 C ATOM 1597 C ASN B 114 -14.624 -7.650 10.953 1.00 0.00 C ATOM 1598 O ASN B 114 -15.423 -8.334 11.594 1.00 0.00 O ATOM 1599 CB ASN B 114 -15.003 -5.175 11.026 1.00 0.00 C ATOM 1600 CG ASN B 114 -15.569 -4.363 12.176 1.00 0.00 C ATOM 1601 OD1 ASN B 114 -14.849 -3.609 12.832 1.00 0.00 O ATOM 1602 ND2 ASN B 114 -16.865 -4.510 12.423 1.00 0.00 N ATOM 0 H ASN B 114 -12.625 -5.492 10.291 1.00 0.00 H new ATOM 0 HA ASN B 114 -14.149 -6.365 12.596 1.00 0.00 H new ATOM 0 HB2 ASN B 114 -14.426 -4.521 10.372 1.00 0.00 H new ATOM 0 HB3 ASN B 114 -15.823 -5.578 10.431 1.00 0.00 H new ATOM 0 HD21 ASN B 114 -17.302 -3.987 13.182 1.00 0.00 H new ATOM 0 HD22 ASN B 114 -17.424 -5.146 11.854 1.00 0.00 H new ATOM 1609 N ILE B 115 -14.158 -8.009 9.759 1.00 0.00 N ATOM 1610 CA ILE B 115 -14.570 -9.254 9.123 1.00 0.00 C ATOM 1611 C ILE B 115 -13.955 -10.459 9.830 1.00 0.00 C ATOM 1612 O ILE B 115 -14.578 -11.515 9.933 1.00 0.00 O ATOM 1613 CB ILE B 115 -14.173 -9.279 7.634 1.00 0.00 C ATOM 1614 CG1 ILE B 115 -14.785 -8.082 6.902 1.00 0.00 C ATOM 1615 CG2 ILE B 115 -14.611 -10.584 6.984 1.00 0.00 C ATOM 1616 CD1 ILE B 115 -13.939 -7.579 5.753 1.00 0.00 C ATOM 0 H ILE B 115 -13.496 -7.455 9.215 1.00 0.00 H new ATOM 0 HA ILE B 115 -15.656 -9.310 9.200 1.00 0.00 H new ATOM 0 HB ILE B 115 -13.087 -9.211 7.564 1.00 0.00 H new ATOM 0 HG12 ILE B 115 -15.768 -8.362 6.523 1.00 0.00 H new ATOM 0 HG13 ILE B 115 -14.937 -7.270 7.613 1.00 0.00 H new ATOM 0 HG21 ILE B 115 -14.322 -10.582 5.933 1.00 0.00 H new ATOM 0 HG22 ILE B 115 -14.132 -11.422 7.491 1.00 0.00 H new ATOM 0 HG23 ILE B 115 -15.694 -10.684 7.062 1.00 0.00 H new ATOM 0 HD11 ILE B 115 -14.434 -6.730 5.281 1.00 0.00 H new ATOM 0 HD12 ILE B 115 -12.964 -7.268 6.128 1.00 0.00 H new ATOM 0 HD13 ILE B 115 -13.808 -8.376 5.021 1.00 0.00 H new