USER MOD reduce.3.24.130724 H: found=0, std=0, add=756, rem=0, adj=15 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 141:sc= -0.334 USER MOD Set 1.2: A 70 HIS : no HE2:sc= -2.92 K(o=-3.3,f=-9.9!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 HIS : no HD1:sc= -3.82! C(o=-3.8!,f=-4.5!) USER MOD Single : A 12 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00271) USER MOD Single : A 19 ASN : amide:sc= -0.471 K(o=-0.47,f=-1.1) USER MOD Single : A 23 LYS NZ :NH3+ 144:sc= 0.546 (180deg=0.106) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= -0.0741 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 HIS : no HE2:sc= -3.93! C(o=-3.9!,f=-6!) USER MOD Single : A 35 GLN : amide:sc= -0.404 X(o=-0.4,f=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl -120:sc= -3.14! (180deg=-6.74!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -0.326 K(o=-0.33,f=-1.2) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 145:sc= -0.446 (180deg=-2.09!) USER MOD Single : A 71 GLN :FLIP amide:sc= -4.12! C(o=-5.3!,f=-4.1!) USER MOD Single : A 74 TYR OH : rot 114:sc= -1.97 USER MOD Single : A 76 GLN : amide:sc= -1.33 K(o=-1.3,f=-2.1) USER MOD Single : B 104 TYR OH : rot 180:sc= 0 USER MOD Single : B 110 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 112 TYR OH : rot 166:sc=0.000643 USER MOD Single : B 114 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 32 N ARG A 3 -16.308 3.626 2.205 1.00 0.00 N ATOM 33 CA ARG A 3 -16.555 2.199 2.374 1.00 0.00 C ATOM 34 C ARG A 3 -16.304 1.446 1.072 1.00 0.00 C ATOM 35 O ARG A 3 -15.880 0.290 1.085 1.00 0.00 O ATOM 36 CB ARG A 3 -17.991 1.961 2.845 1.00 0.00 C ATOM 37 CG ARG A 3 -18.290 0.507 3.170 1.00 0.00 C ATOM 38 CD ARG A 3 -19.785 0.228 3.148 1.00 0.00 C ATOM 39 NE ARG A 3 -20.076 -1.177 2.873 1.00 0.00 N ATOM 40 CZ ARG A 3 -19.992 -2.143 3.784 1.00 0.00 C ATOM 41 NH1 ARG A 3 -19.630 -1.861 5.030 1.00 0.00 N ATOM 42 NH2 ARG A 3 -20.274 -3.395 3.450 1.00 0.00 N ATOM 0 HA ARG A 3 -15.865 1.823 3.129 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -18.180 2.569 3.730 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -18.680 2.301 2.071 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -17.787 -0.139 2.450 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -17.887 0.262 4.153 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -20.220 0.507 4.108 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -20.259 0.851 2.390 1.00 0.00 H new ATOM 0 HE ARG A 3 -20.360 -1.432 1.927 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -19.415 -0.899 5.293 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -19.567 -2.606 5.724 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -20.555 -3.617 2.495 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -20.210 -4.136 4.148 1.00 0.00 H new ATOM 56 N LYS A 4 -16.567 2.107 -0.050 1.00 0.00 N ATOM 57 CA LYS A 4 -16.369 1.497 -1.361 1.00 0.00 C ATOM 58 C LYS A 4 -14.887 1.314 -1.657 1.00 0.00 C ATOM 59 O LYS A 4 -14.496 0.362 -2.334 1.00 0.00 O ATOM 60 CB LYS A 4 -17.021 2.352 -2.450 1.00 0.00 C ATOM 61 CG LYS A 4 -18.452 1.946 -2.769 1.00 0.00 C ATOM 62 CD LYS A 4 -19.364 2.118 -1.563 1.00 0.00 C ATOM 63 CE LYS A 4 -20.021 0.807 -1.164 1.00 0.00 C ATOM 64 NZ LYS A 4 -21.421 1.005 -0.700 1.00 0.00 N ATOM 0 H LYS A 4 -16.918 3.064 -0.079 1.00 0.00 H new ATOM 0 HA LYS A 4 -16.841 0.515 -1.352 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -17.010 3.396 -2.136 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -16.423 2.286 -3.359 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -18.826 2.548 -3.597 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -18.472 0.906 -3.096 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -18.788 2.507 -0.723 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -20.133 2.856 -1.791 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -20.014 0.124 -2.014 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -19.439 0.336 -0.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -21.833 0.087 -0.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -21.427 1.636 0.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -21.983 1.431 -1.464 1.00 0.00 H new ATOM 78 N VAL A 5 -14.063 2.221 -1.143 1.00 0.00 N ATOM 79 CA VAL A 5 -12.622 2.137 -1.353 1.00 0.00 C ATOM 80 C VAL A 5 -12.111 0.758 -0.957 1.00 0.00 C ATOM 81 O VAL A 5 -11.203 0.213 -1.585 1.00 0.00 O ATOM 82 CB VAL A 5 -11.867 3.210 -0.543 1.00 0.00 C ATOM 83 CG1 VAL A 5 -10.381 3.178 -0.868 1.00 0.00 C ATOM 84 CG2 VAL A 5 -12.448 4.592 -0.811 1.00 0.00 C ATOM 0 H VAL A 5 -14.365 3.017 -0.582 1.00 0.00 H new ATOM 0 HA VAL A 5 -12.436 2.310 -2.413 1.00 0.00 H new ATOM 0 HB VAL A 5 -11.989 2.989 0.517 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -9.865 3.942 -0.287 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -9.975 2.197 -0.619 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -10.237 3.372 -1.931 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -11.902 5.335 -0.230 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -12.360 4.824 -1.872 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -13.499 4.607 -0.523 1.00 0.00 H new ATOM 94 N ALA A 6 -12.714 0.196 0.084 1.00 0.00 N ATOM 95 CA ALA A 6 -12.341 -1.125 0.565 1.00 0.00 C ATOM 96 C ALA A 6 -12.825 -2.207 -0.393 1.00 0.00 C ATOM 97 O ALA A 6 -12.150 -3.214 -0.600 1.00 0.00 O ATOM 98 CB ALA A 6 -12.902 -1.360 1.960 1.00 0.00 C ATOM 0 H ALA A 6 -13.466 0.638 0.612 1.00 0.00 H new ATOM 0 HA ALA A 6 -11.253 -1.176 0.614 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -12.614 -2.353 2.305 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -12.505 -0.609 2.643 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -13.989 -1.287 1.932 1.00 0.00 H new ATOM 104 N ARG A 7 -14.001 -1.990 -0.976 1.00 0.00 N ATOM 105 CA ARG A 7 -14.577 -2.947 -1.916 1.00 0.00 C ATOM 106 C ARG A 7 -13.756 -3.018 -3.194 1.00 0.00 C ATOM 107 O ARG A 7 -13.599 -4.085 -3.785 1.00 0.00 O ATOM 108 CB ARG A 7 -16.024 -2.569 -2.241 1.00 0.00 C ATOM 109 CG ARG A 7 -16.943 -3.768 -2.408 1.00 0.00 C ATOM 110 CD ARG A 7 -18.374 -3.437 -2.010 1.00 0.00 C ATOM 111 NE ARG A 7 -19.307 -3.618 -3.119 1.00 0.00 N ATOM 112 CZ ARG A 7 -19.409 -2.776 -4.146 1.00 0.00 C ATOM 113 NH1 ARG A 7 -18.638 -1.698 -4.209 1.00 0.00 N ATOM 114 NH2 ARG A 7 -20.285 -3.015 -5.112 1.00 0.00 N ATOM 0 H ARG A 7 -14.573 -1.161 -0.814 1.00 0.00 H new ATOM 0 HA ARG A 7 -14.564 -3.930 -1.446 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -16.412 -1.932 -1.446 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -16.040 -1.979 -3.158 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -16.921 -4.102 -3.445 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -16.577 -4.595 -1.799 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -18.674 -4.072 -1.176 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -18.423 -2.406 -1.659 1.00 0.00 H new ATOM 0 HE ARG A 7 -19.916 -4.436 -3.106 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -17.962 -1.510 -3.468 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -18.721 -1.057 -4.998 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -20.880 -3.843 -5.068 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -20.364 -2.371 -5.899 1.00 0.00 H new ATOM 128 N GLU A 8 -13.228 -1.877 -3.617 1.00 0.00 N ATOM 129 CA GLU A 8 -12.417 -1.818 -4.827 1.00 0.00 C ATOM 130 C GLU A 8 -11.063 -2.475 -4.588 1.00 0.00 C ATOM 131 O GLU A 8 -10.624 -3.317 -5.371 1.00 0.00 O ATOM 132 CB GLU A 8 -12.232 -0.369 -5.280 1.00 0.00 C ATOM 133 CG GLU A 8 -13.229 0.067 -6.341 1.00 0.00 C ATOM 134 CD GLU A 8 -12.974 1.476 -6.837 1.00 0.00 C ATOM 135 OE1 GLU A 8 -11.961 1.685 -7.538 1.00 0.00 O ATOM 136 OE2 GLU A 8 -13.787 2.371 -6.526 1.00 0.00 O ATOM 0 H GLU A 8 -13.346 -0.982 -3.142 1.00 0.00 H new ATOM 0 HA GLU A 8 -12.935 -2.362 -5.617 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -12.323 0.288 -4.415 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -11.222 -0.245 -5.669 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -13.184 -0.624 -7.183 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -14.238 0.007 -5.933 1.00 0.00 H new ATOM 143 N PHE A 9 -10.411 -2.092 -3.495 1.00 0.00 N ATOM 144 CA PHE A 9 -9.114 -2.656 -3.149 1.00 0.00 C ATOM 145 C PHE A 9 -9.247 -4.151 -2.885 1.00 0.00 C ATOM 146 O PHE A 9 -8.359 -4.935 -3.220 1.00 0.00 O ATOM 147 CB PHE A 9 -8.536 -1.954 -1.920 1.00 0.00 C ATOM 148 CG PHE A 9 -7.162 -2.431 -1.545 1.00 0.00 C ATOM 149 CD1 PHE A 9 -6.102 -2.292 -2.425 1.00 0.00 C ATOM 150 CD2 PHE A 9 -6.931 -3.021 -0.313 1.00 0.00 C ATOM 151 CE1 PHE A 9 -4.837 -2.730 -2.083 1.00 0.00 C ATOM 152 CE2 PHE A 9 -5.669 -3.462 0.035 1.00 0.00 C ATOM 153 CZ PHE A 9 -4.620 -3.316 -0.852 1.00 0.00 C ATOM 0 H PHE A 9 -10.759 -1.395 -2.836 1.00 0.00 H new ATOM 0 HA PHE A 9 -8.434 -2.504 -3.987 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -8.500 -0.881 -2.108 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -9.208 -2.107 -1.075 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -6.266 -1.836 -3.390 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -7.748 -3.138 0.384 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -4.019 -2.614 -2.778 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -5.503 -3.920 0.999 1.00 0.00 H new ATOM 0 HZ PHE A 9 -3.632 -3.660 -0.583 1.00 0.00 H new ATOM 163 N ARG A 10 -10.371 -4.536 -2.287 1.00 0.00 N ATOM 164 CA ARG A 10 -10.633 -5.937 -1.981 1.00 0.00 C ATOM 165 C ARG A 10 -10.961 -6.714 -3.250 1.00 0.00 C ATOM 166 O ARG A 10 -10.389 -7.773 -3.506 1.00 0.00 O ATOM 167 CB ARG A 10 -11.793 -6.058 -0.991 1.00 0.00 C ATOM 168 CG ARG A 10 -11.378 -5.901 0.461 1.00 0.00 C ATOM 169 CD ARG A 10 -12.407 -6.512 1.399 1.00 0.00 C ATOM 170 NE ARG A 10 -13.699 -5.833 1.304 1.00 0.00 N ATOM 171 CZ ARG A 10 -14.877 -6.452 1.368 1.00 0.00 C ATOM 172 NH1 ARG A 10 -14.942 -7.768 1.536 1.00 0.00 N ATOM 173 NH2 ARG A 10 -15.997 -5.751 1.268 1.00 0.00 N ATOM 0 H ARG A 10 -11.114 -3.897 -2.005 1.00 0.00 H new ATOM 0 HA ARG A 10 -9.733 -6.359 -1.533 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -12.542 -5.302 -1.229 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -12.269 -7.030 -1.120 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -10.411 -6.378 0.619 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -11.254 -4.843 0.694 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -12.533 -7.568 1.162 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -12.042 -6.457 2.425 1.00 0.00 H new ATOM 0 HE ARG A 10 -13.698 -4.820 1.181 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -14.085 -8.315 1.617 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -15.849 -8.232 1.584 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -15.956 -4.740 1.142 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -16.900 -6.223 1.317 1.00 0.00 H new ATOM 187 N HIS A 11 -11.890 -6.182 -4.040 1.00 0.00 N ATOM 188 CA HIS A 11 -12.290 -6.834 -5.282 1.00 0.00 C ATOM 189 C HIS A 11 -11.109 -6.961 -6.235 1.00 0.00 C ATOM 190 O HIS A 11 -10.914 -8.003 -6.860 1.00 0.00 O ATOM 191 CB HIS A 11 -13.426 -6.059 -5.950 1.00 0.00 C ATOM 192 CG HIS A 11 -14.189 -6.864 -6.957 1.00 0.00 C ATOM 193 ND1 HIS A 11 -15.420 -6.484 -7.450 1.00 0.00 N ATOM 194 CD2 HIS A 11 -13.889 -8.038 -7.562 1.00 0.00 C ATOM 195 CE1 HIS A 11 -15.844 -7.389 -8.313 1.00 0.00 C ATOM 196 NE2 HIS A 11 -14.934 -8.341 -8.400 1.00 0.00 N ATOM 0 H HIS A 11 -12.377 -5.307 -3.844 1.00 0.00 H new ATOM 0 HA HIS A 11 -12.643 -7.836 -5.039 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -14.114 -5.706 -5.182 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -13.014 -5.176 -6.439 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -12.995 -8.626 -7.413 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -16.777 -7.356 -8.856 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -14.997 -9.168 -8.994 1.00 0.00 H new ATOM 205 N LYS A 12 -10.319 -5.898 -6.340 1.00 0.00 N ATOM 206 CA LYS A 12 -9.153 -5.904 -7.217 1.00 0.00 C ATOM 207 C LYS A 12 -8.192 -7.014 -6.812 1.00 0.00 C ATOM 208 O LYS A 12 -7.874 -7.898 -7.609 1.00 0.00 O ATOM 209 CB LYS A 12 -8.443 -4.549 -7.170 1.00 0.00 C ATOM 210 CG LYS A 12 -8.804 -3.632 -8.328 1.00 0.00 C ATOM 211 CD LYS A 12 -7.817 -3.772 -9.477 1.00 0.00 C ATOM 212 CE LYS A 12 -7.946 -2.624 -10.463 1.00 0.00 C ATOM 213 NZ LYS A 12 -7.290 -1.384 -9.963 1.00 0.00 N ATOM 0 H LYS A 12 -10.463 -5.025 -5.832 1.00 0.00 H new ATOM 0 HA LYS A 12 -9.489 -6.087 -8.238 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -8.690 -4.051 -6.232 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -7.365 -4.713 -7.169 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -9.809 -3.866 -8.679 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -8.819 -2.598 -7.984 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -6.801 -3.803 -9.084 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -7.988 -4.717 -9.992 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -7.500 -2.912 -11.415 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -9.001 -2.425 -10.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -7.372 -0.635 -10.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -7.754 -1.075 -9.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -6.285 -1.575 -9.774 1.00 0.00 H new ATOM 227 N VAL A 13 -7.739 -6.972 -5.562 1.00 0.00 N ATOM 228 CA VAL A 13 -6.821 -7.979 -5.049 1.00 0.00 C ATOM 229 C VAL A 13 -7.381 -9.381 -5.264 1.00 0.00 C ATOM 230 O VAL A 13 -6.642 -10.316 -5.571 1.00 0.00 O ATOM 231 CB VAL A 13 -6.536 -7.770 -3.548 1.00 0.00 C ATOM 232 CG1 VAL A 13 -5.537 -8.801 -3.038 1.00 0.00 C ATOM 233 CG2 VAL A 13 -6.030 -6.359 -3.292 1.00 0.00 C ATOM 0 H VAL A 13 -7.994 -6.251 -4.887 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.887 -7.873 -5.601 1.00 0.00 H new ATOM 0 HB VAL A 13 -7.470 -7.904 -3.002 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.351 -8.634 -1.977 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.942 -9.803 -3.182 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.602 -8.705 -3.589 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -5.834 -6.230 -2.227 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -5.110 -6.195 -3.853 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -6.783 -5.639 -3.612 1.00 0.00 H new ATOM 243 N ASP A 14 -8.692 -9.517 -5.105 1.00 0.00 N ATOM 244 CA ASP A 14 -9.351 -10.803 -5.288 1.00 0.00 C ATOM 245 C ASP A 14 -9.419 -11.175 -6.765 1.00 0.00 C ATOM 246 O ASP A 14 -9.427 -12.355 -7.116 1.00 0.00 O ATOM 247 CB ASP A 14 -10.759 -10.770 -4.692 1.00 0.00 C ATOM 248 CG ASP A 14 -11.339 -12.157 -4.502 1.00 0.00 C ATOM 249 OD1 ASP A 14 -10.880 -13.093 -5.191 1.00 0.00 O ATOM 250 OD2 ASP A 14 -12.253 -12.309 -3.664 1.00 0.00 O ATOM 0 H ASP A 14 -9.318 -8.753 -4.850 1.00 0.00 H new ATOM 0 HA ASP A 14 -8.763 -11.560 -4.768 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -10.732 -10.256 -3.731 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -11.413 -10.192 -5.345 1.00 0.00 H new ATOM 255 N PHE A 15 -9.464 -10.165 -7.630 1.00 0.00 N ATOM 256 CA PHE A 15 -9.525 -10.391 -9.068 1.00 0.00 C ATOM 257 C PHE A 15 -8.205 -10.953 -9.579 1.00 0.00 C ATOM 258 O PHE A 15 -8.169 -11.700 -10.557 1.00 0.00 O ATOM 259 CB PHE A 15 -9.861 -9.088 -9.797 1.00 0.00 C ATOM 260 CG PHE A 15 -11.237 -9.079 -10.402 1.00 0.00 C ATOM 261 CD1 PHE A 15 -11.670 -10.136 -11.186 1.00 0.00 C ATOM 262 CD2 PHE A 15 -12.095 -8.013 -10.188 1.00 0.00 C ATOM 263 CE1 PHE A 15 -12.934 -10.131 -11.744 1.00 0.00 C ATOM 264 CE2 PHE A 15 -13.360 -8.001 -10.744 1.00 0.00 C ATOM 265 CZ PHE A 15 -13.780 -9.062 -11.524 1.00 0.00 C ATOM 0 H PHE A 15 -9.459 -9.182 -7.358 1.00 0.00 H new ATOM 0 HA PHE A 15 -10.312 -11.119 -9.268 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -9.774 -8.257 -9.098 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -9.125 -8.921 -10.584 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -11.012 -10.974 -11.363 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -11.772 -7.181 -9.579 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -13.260 -10.962 -12.352 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -14.020 -7.164 -10.569 1.00 0.00 H new ATOM 0 HZ PHE A 15 -14.768 -9.055 -11.961 1.00 0.00 H new ATOM 275 N LEU A 16 -7.119 -10.573 -8.915 1.00 0.00 N ATOM 276 CA LEU A 16 -5.786 -11.019 -9.300 1.00 0.00 C ATOM 277 C LEU A 16 -5.377 -12.270 -8.531 1.00 0.00 C ATOM 278 O LEU A 16 -4.919 -13.250 -9.117 1.00 0.00 O ATOM 279 CB LEU A 16 -4.766 -9.901 -9.065 1.00 0.00 C ATOM 280 CG LEU A 16 -5.313 -8.476 -9.197 1.00 0.00 C ATOM 281 CD1 LEU A 16 -4.603 -7.541 -8.231 1.00 0.00 C ATOM 282 CD2 LEU A 16 -5.167 -7.980 -10.627 1.00 0.00 C ATOM 0 H LEU A 16 -7.137 -9.954 -8.104 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.809 -11.267 -10.361 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.345 -10.020 -8.067 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.947 -10.025 -9.773 1.00 0.00 H new ATOM 0 HG LEU A 16 -6.373 -8.489 -8.945 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.004 -6.533 -8.339 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.759 -7.887 -7.209 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.536 -7.532 -8.452 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.561 -6.966 -10.702 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.114 -7.982 -10.907 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.722 -8.636 -11.298 1.00 0.00 H new ATOM 294 N ILE A 17 -5.543 -12.227 -7.217 1.00 0.00 N ATOM 295 CA ILE A 17 -5.192 -13.353 -6.360 1.00 0.00 C ATOM 296 C ILE A 17 -6.204 -14.479 -6.502 1.00 0.00 C ATOM 297 O ILE A 17 -5.837 -15.631 -6.736 1.00 0.00 O ATOM 298 CB ILE A 17 -5.080 -12.911 -4.878 1.00 0.00 C ATOM 299 CG1 ILE A 17 -3.776 -12.156 -4.657 1.00 0.00 C ATOM 300 CG2 ILE A 17 -5.142 -14.101 -3.928 1.00 0.00 C ATOM 301 CD1 ILE A 17 -3.756 -10.771 -5.267 1.00 0.00 C ATOM 0 H ILE A 17 -5.920 -11.421 -6.718 1.00 0.00 H new ATOM 0 HA ILE A 17 -4.218 -13.723 -6.681 1.00 0.00 H new ATOM 0 HB ILE A 17 -5.928 -12.260 -4.664 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.593 -12.073 -3.586 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -2.955 -12.738 -5.076 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -5.060 -13.750 -2.899 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -6.090 -14.622 -4.059 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -4.320 -14.783 -4.145 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.794 -10.299 -5.066 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -3.906 -10.846 -6.344 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -4.554 -10.170 -4.831 1.00 0.00 H new ATOM 313 N GLU A 18 -7.477 -14.142 -6.358 1.00 0.00 N ATOM 314 CA GLU A 18 -8.547 -15.115 -6.466 1.00 0.00 C ATOM 315 C GLU A 18 -8.361 -16.276 -5.497 1.00 0.00 C ATOM 316 O GLU A 18 -9.137 -17.233 -5.493 1.00 0.00 O ATOM 317 CB GLU A 18 -8.643 -15.625 -7.893 1.00 0.00 C ATOM 318 CG GLU A 18 -8.395 -14.561 -8.950 1.00 0.00 C ATOM 319 CD GLU A 18 -9.554 -14.412 -9.915 1.00 0.00 C ATOM 320 OE1 GLU A 18 -10.665 -14.071 -9.459 1.00 0.00 O ATOM 321 OE2 GLU A 18 -9.351 -14.634 -11.126 1.00 0.00 O ATOM 0 H GLU A 18 -7.793 -13.192 -6.164 1.00 0.00 H new ATOM 0 HA GLU A 18 -9.478 -14.616 -6.198 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -7.922 -16.432 -8.029 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -9.633 -16.053 -8.049 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -8.210 -13.605 -8.460 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -7.493 -14.813 -9.508 1.00 0.00 H new ATOM 328 N ASN A 19 -7.332 -16.174 -4.686 1.00 0.00 N ATOM 329 CA ASN A 19 -7.019 -17.199 -3.699 1.00 0.00 C ATOM 330 C ASN A 19 -7.277 -16.687 -2.285 1.00 0.00 C ATOM 331 O ASN A 19 -7.324 -15.480 -2.051 1.00 0.00 O ATOM 332 CB ASN A 19 -5.561 -17.642 -3.836 1.00 0.00 C ATOM 333 CG ASN A 19 -5.223 -18.093 -5.244 1.00 0.00 C ATOM 334 OD1 ASN A 19 -4.288 -17.586 -5.862 1.00 0.00 O ATOM 335 ND2 ASN A 19 -5.986 -19.050 -5.758 1.00 0.00 N ATOM 0 H ASN A 19 -6.687 -15.384 -4.687 1.00 0.00 H new ATOM 0 HA ASN A 19 -7.669 -18.055 -3.881 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -4.906 -16.818 -3.554 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -5.365 -18.457 -3.139 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -5.807 -19.393 -6.702 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -6.751 -19.442 -5.209 1.00 0.00 H new ATOM 342 N ASP A 20 -7.444 -17.614 -1.347 1.00 0.00 N ATOM 343 CA ASP A 20 -7.698 -17.254 0.043 1.00 0.00 C ATOM 344 C ASP A 20 -6.397 -17.191 0.837 1.00 0.00 C ATOM 345 O ASP A 20 -6.171 -16.252 1.600 1.00 0.00 O ATOM 346 CB ASP A 20 -8.653 -18.261 0.686 1.00 0.00 C ATOM 347 CG ASP A 20 -9.476 -17.647 1.801 1.00 0.00 C ATOM 348 OD1 ASP A 20 -8.891 -16.939 2.649 1.00 0.00 O ATOM 349 OD2 ASP A 20 -10.704 -17.874 1.829 1.00 0.00 O ATOM 0 H ASP A 20 -7.408 -18.618 -1.524 1.00 0.00 H new ATOM 0 HA ASP A 20 -8.158 -16.266 0.057 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -9.321 -18.662 -0.076 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -8.080 -19.100 1.081 1.00 0.00 H new ATOM 354 N ALA A 21 -5.545 -18.194 0.653 1.00 0.00 N ATOM 355 CA ALA A 21 -4.268 -18.249 1.353 1.00 0.00 C ATOM 356 C ALA A 21 -3.424 -17.019 1.050 1.00 0.00 C ATOM 357 O ALA A 21 -2.813 -16.434 1.944 1.00 0.00 O ATOM 358 CB ALA A 21 -3.513 -19.516 0.979 1.00 0.00 C ATOM 0 H ALA A 21 -5.716 -18.979 0.025 1.00 0.00 H new ATOM 0 HA ALA A 21 -4.470 -18.264 2.424 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.561 -19.543 1.510 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.106 -20.388 1.254 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.330 -19.526 -0.095 1.00 0.00 H new ATOM 364 N GLU A 22 -3.401 -16.628 -0.219 1.00 0.00 N ATOM 365 CA GLU A 22 -2.636 -15.463 -0.644 1.00 0.00 C ATOM 366 C GLU A 22 -3.204 -14.191 -0.026 1.00 0.00 C ATOM 367 O GLU A 22 -2.465 -13.366 0.509 1.00 0.00 O ATOM 368 CB GLU A 22 -2.638 -15.352 -2.170 1.00 0.00 C ATOM 369 CG GLU A 22 -1.565 -16.194 -2.843 1.00 0.00 C ATOM 370 CD GLU A 22 -1.743 -17.678 -2.589 1.00 0.00 C ATOM 371 OE1 GLU A 22 -2.713 -18.258 -3.118 1.00 0.00 O ATOM 372 OE2 GLU A 22 -0.913 -18.258 -1.859 1.00 0.00 O ATOM 0 H GLU A 22 -3.903 -17.101 -0.971 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.609 -15.586 -0.301 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.615 -15.655 -2.547 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.498 -14.308 -2.450 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.583 -16.008 -3.917 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -0.585 -15.883 -2.482 1.00 0.00 H new ATOM 379 N LYS A 23 -4.523 -14.043 -0.092 1.00 0.00 N ATOM 380 CA LYS A 23 -5.186 -12.874 0.475 1.00 0.00 C ATOM 381 C LYS A 23 -4.961 -12.819 1.977 1.00 0.00 C ATOM 382 O LYS A 23 -4.872 -11.741 2.561 1.00 0.00 O ATOM 383 CB LYS A 23 -6.684 -12.907 0.166 1.00 0.00 C ATOM 384 CG LYS A 23 -7.312 -11.527 0.056 1.00 0.00 C ATOM 385 CD LYS A 23 -8.829 -11.602 0.080 1.00 0.00 C ATOM 386 CE LYS A 23 -9.367 -12.353 -1.128 1.00 0.00 C ATOM 387 NZ LYS A 23 -10.840 -12.557 -1.042 1.00 0.00 N ATOM 0 H LYS A 23 -5.152 -14.715 -0.531 1.00 0.00 H new ATOM 0 HA LYS A 23 -4.758 -11.979 0.023 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -6.842 -13.445 -0.769 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.196 -13.469 0.947 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -6.965 -10.901 0.878 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.985 -11.050 -0.868 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -9.156 -12.098 0.994 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -9.244 -10.594 0.098 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.129 -11.799 -2.036 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -8.870 -13.320 -1.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.257 -12.483 -1.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -11.038 -13.500 -0.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -11.256 -11.831 -0.424 1.00 0.00 H new ATOM 401 N ASP A 24 -4.852 -13.989 2.597 1.00 0.00 N ATOM 402 CA ASP A 24 -4.614 -14.066 4.030 1.00 0.00 C ATOM 403 C ASP A 24 -3.275 -13.424 4.368 1.00 0.00 C ATOM 404 O ASP A 24 -3.190 -12.561 5.243 1.00 0.00 O ATOM 405 CB ASP A 24 -4.636 -15.523 4.499 1.00 0.00 C ATOM 406 CG ASP A 24 -5.468 -15.714 5.752 1.00 0.00 C ATOM 407 OD1 ASP A 24 -6.549 -15.094 5.847 1.00 0.00 O ATOM 408 OD2 ASP A 24 -5.040 -16.482 6.639 1.00 0.00 O ATOM 0 H ASP A 24 -4.925 -14.893 2.130 1.00 0.00 H new ATOM 0 HA ASP A 24 -5.407 -13.526 4.547 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -5.034 -16.152 3.703 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.616 -15.856 4.689 1.00 0.00 H new ATOM 413 N TYR A 25 -2.232 -13.842 3.656 1.00 0.00 N ATOM 414 CA TYR A 25 -0.897 -13.299 3.869 1.00 0.00 C ATOM 415 C TYR A 25 -0.841 -11.839 3.450 1.00 0.00 C ATOM 416 O TYR A 25 -0.320 -10.999 4.181 1.00 0.00 O ATOM 417 CB TYR A 25 0.145 -14.115 3.104 1.00 0.00 C ATOM 418 CG TYR A 25 1.568 -13.670 3.351 1.00 0.00 C ATOM 419 CD1 TYR A 25 2.283 -14.137 4.447 1.00 0.00 C ATOM 420 CD2 TYR A 25 2.198 -12.782 2.486 1.00 0.00 C ATOM 421 CE1 TYR A 25 3.584 -13.732 4.675 1.00 0.00 C ATOM 422 CE2 TYR A 25 3.500 -12.374 2.709 1.00 0.00 C ATOM 423 CZ TYR A 25 4.188 -12.850 3.804 1.00 0.00 C ATOM 424 OH TYR A 25 5.483 -12.447 4.028 1.00 0.00 O ATOM 0 H TYR A 25 -2.287 -14.554 2.928 1.00 0.00 H new ATOM 0 HA TYR A 25 -0.669 -13.361 4.933 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.048 -15.164 3.384 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.067 -14.049 2.037 1.00 0.00 H new ATOM 0 HD1 TYR A 25 1.814 -14.828 5.132 1.00 0.00 H new ATOM 0 HD2 TYR A 25 1.662 -12.405 1.627 1.00 0.00 H new ATOM 0 HE1 TYR A 25 4.126 -14.105 5.532 1.00 0.00 H new ATOM 0 HE2 TYR A 25 3.976 -11.685 2.027 1.00 0.00 H new ATOM 0 HH TYR A 25 5.759 -11.826 3.322 1.00 0.00 H new ATOM 434 N LEU A 26 -1.399 -11.530 2.282 1.00 0.00 N ATOM 435 CA LEU A 26 -1.416 -10.153 1.812 1.00 0.00 C ATOM 436 C LEU A 26 -2.113 -9.298 2.849 1.00 0.00 C ATOM 437 O LEU A 26 -1.652 -8.207 3.186 1.00 0.00 O ATOM 438 CB LEU A 26 -2.122 -10.043 0.458 1.00 0.00 C ATOM 439 CG LEU A 26 -2.328 -8.614 -0.050 1.00 0.00 C ATOM 440 CD1 LEU A 26 -0.997 -7.886 -0.149 1.00 0.00 C ATOM 441 CD2 LEU A 26 -3.034 -8.623 -1.398 1.00 0.00 C ATOM 0 H LEU A 26 -1.838 -12.204 1.655 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.393 -9.805 1.673 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.544 -10.596 -0.282 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.094 -10.530 0.532 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.958 -8.083 0.664 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.163 -6.872 -0.512 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.529 -7.847 0.835 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.343 -8.416 -0.841 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.172 -7.598 -1.743 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.431 -9.172 -2.121 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.006 -9.105 -1.296 1.00 0.00 H new ATOM 453 N TYR A 27 -3.203 -9.828 3.393 1.00 0.00 N ATOM 454 CA TYR A 27 -3.928 -9.132 4.440 1.00 0.00 C ATOM 455 C TYR A 27 -2.998 -8.951 5.634 1.00 0.00 C ATOM 456 O TYR A 27 -3.058 -7.942 6.339 1.00 0.00 O ATOM 457 CB TYR A 27 -5.176 -9.915 4.854 1.00 0.00 C ATOM 458 CG TYR A 27 -6.438 -9.444 4.169 1.00 0.00 C ATOM 459 CD1 TYR A 27 -6.801 -8.103 4.184 1.00 0.00 C ATOM 460 CD2 TYR A 27 -7.268 -10.339 3.505 1.00 0.00 C ATOM 461 CE1 TYR A 27 -7.953 -7.667 3.560 1.00 0.00 C ATOM 462 CE2 TYR A 27 -8.423 -9.910 2.878 1.00 0.00 C ATOM 463 CZ TYR A 27 -8.761 -8.574 2.908 1.00 0.00 C ATOM 464 OH TYR A 27 -9.910 -8.144 2.285 1.00 0.00 O ATOM 0 H TYR A 27 -3.598 -10.730 3.127 1.00 0.00 H new ATOM 0 HA TYR A 27 -4.256 -8.161 4.070 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -5.023 -10.971 4.631 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -5.305 -9.833 5.933 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -6.171 -7.389 4.693 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -7.007 -11.387 3.478 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -8.220 -6.621 3.583 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -9.058 -10.619 2.367 1.00 0.00 H new ATOM 0 HH TYR A 27 -10.364 -8.908 1.873 1.00 0.00 H new ATOM 474 N ASP A 28 -2.113 -9.933 5.836 1.00 0.00 N ATOM 475 CA ASP A 28 -1.149 -9.875 6.920 1.00 0.00 C ATOM 476 C ASP A 28 -0.078 -8.836 6.608 1.00 0.00 C ATOM 477 O ASP A 28 0.438 -8.175 7.509 1.00 0.00 O ATOM 478 CB ASP A 28 -0.507 -11.247 7.139 1.00 0.00 C ATOM 479 CG ASP A 28 -1.147 -12.008 8.285 1.00 0.00 C ATOM 480 OD1 ASP A 28 -1.288 -11.425 9.379 1.00 0.00 O ATOM 481 OD2 ASP A 28 -1.505 -13.188 8.086 1.00 0.00 O ATOM 0 H ASP A 28 -2.051 -10.772 5.260 1.00 0.00 H new ATOM 0 HA ASP A 28 -1.667 -9.587 7.835 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -0.591 -11.834 6.225 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.557 -11.120 7.340 1.00 0.00 H new ATOM 486 N VAL A 29 0.246 -8.687 5.323 1.00 0.00 N ATOM 487 CA VAL A 29 1.249 -7.716 4.903 1.00 0.00 C ATOM 488 C VAL A 29 0.805 -6.302 5.260 1.00 0.00 C ATOM 489 O VAL A 29 1.545 -5.548 5.891 1.00 0.00 O ATOM 490 CB VAL A 29 1.519 -7.799 3.387 1.00 0.00 C ATOM 491 CG1 VAL A 29 2.540 -6.754 2.963 1.00 0.00 C ATOM 492 CG2 VAL A 29 1.989 -9.195 3.006 1.00 0.00 C ATOM 0 H VAL A 29 -0.170 -9.224 4.562 1.00 0.00 H new ATOM 0 HA VAL A 29 2.172 -7.954 5.432 1.00 0.00 H new ATOM 0 HB VAL A 29 0.586 -7.594 2.861 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.715 -6.831 1.890 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.162 -5.759 3.199 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.476 -6.922 3.496 1.00 0.00 H new ATOM 0 HG21 VAL A 29 2.175 -9.236 1.933 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.908 -9.428 3.543 1.00 0.00 H new ATOM 0 HG23 VAL A 29 1.221 -9.922 3.269 1.00 0.00 H new ATOM 502 N LEU A 30 -0.412 -5.951 4.855 1.00 0.00 N ATOM 503 CA LEU A 30 -0.958 -4.630 5.139 1.00 0.00 C ATOM 504 C LEU A 30 -1.062 -4.407 6.641 1.00 0.00 C ATOM 505 O LEU A 30 -0.766 -3.322 7.141 1.00 0.00 O ATOM 506 CB LEU A 30 -2.333 -4.471 4.486 1.00 0.00 C ATOM 507 CG LEU A 30 -2.316 -4.340 2.963 1.00 0.00 C ATOM 508 CD1 LEU A 30 -3.629 -4.827 2.371 1.00 0.00 C ATOM 509 CD2 LEU A 30 -2.046 -2.900 2.556 1.00 0.00 C ATOM 0 H LEU A 30 -1.037 -6.563 4.330 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.283 -3.882 4.723 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.947 -5.331 4.754 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.818 -3.589 4.906 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.512 -4.964 2.572 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.599 -4.726 1.286 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.781 -5.874 2.634 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.450 -4.231 2.768 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.037 -2.825 1.469 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.828 -2.256 2.958 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.079 -2.586 2.949 1.00 0.00 H new ATOM 521 N ARG A 31 -1.480 -5.445 7.357 1.00 0.00 N ATOM 522 CA ARG A 31 -1.618 -5.367 8.805 1.00 0.00 C ATOM 523 C ARG A 31 -0.258 -5.162 9.462 1.00 0.00 C ATOM 524 O ARG A 31 -0.135 -4.431 10.444 1.00 0.00 O ATOM 525 CB ARG A 31 -2.273 -6.640 9.347 1.00 0.00 C ATOM 526 CG ARG A 31 -2.564 -6.585 10.838 1.00 0.00 C ATOM 527 CD ARG A 31 -1.473 -7.271 11.645 1.00 0.00 C ATOM 528 NE ARG A 31 -1.866 -7.468 13.039 1.00 0.00 N ATOM 529 CZ ARG A 31 -1.171 -8.197 13.908 1.00 0.00 C ATOM 530 NH1 ARG A 31 -0.048 -8.798 13.534 1.00 0.00 N ATOM 531 NH2 ARG A 31 -1.599 -8.326 15.157 1.00 0.00 N ATOM 0 H ARG A 31 -1.729 -6.350 6.958 1.00 0.00 H new ATOM 0 HA ARG A 31 -2.253 -4.514 9.042 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -3.205 -6.817 8.809 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -1.621 -7.490 9.143 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -2.653 -5.546 11.154 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -3.523 -7.063 11.040 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -1.240 -8.236 11.194 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -0.563 -6.673 11.606 1.00 0.00 H new ATOM 0 HE ARG A 31 -2.723 -7.021 13.364 1.00 0.00 H new ATOM 0 HH11 ARG A 31 0.287 -8.702 12.575 1.00 0.00 H new ATOM 0 HH12 ARG A 31 0.480 -9.355 14.205 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -2.461 -7.866 15.451 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -1.066 -8.885 15.823 1.00 0.00 H new ATOM 545 N MET A 32 0.763 -5.811 8.909 1.00 0.00 N ATOM 546 CA MET A 32 2.117 -5.698 9.437 1.00 0.00 C ATOM 547 C MET A 32 2.705 -4.324 9.130 1.00 0.00 C ATOM 548 O MET A 32 3.274 -3.673 10.005 1.00 0.00 O ATOM 549 CB MET A 32 3.010 -6.793 8.848 1.00 0.00 C ATOM 550 CG MET A 32 3.704 -7.641 9.902 1.00 0.00 C ATOM 551 SD MET A 32 5.503 -7.566 9.786 1.00 0.00 S ATOM 552 CE MET A 32 5.952 -7.529 11.520 1.00 0.00 C ATOM 0 H MET A 32 0.677 -6.420 8.095 1.00 0.00 H new ATOM 0 HA MET A 32 2.071 -5.821 10.519 1.00 0.00 H new ATOM 0 HB2 MET A 32 2.406 -7.440 8.212 1.00 0.00 H new ATOM 0 HB3 MET A 32 3.764 -6.332 8.210 1.00 0.00 H new ATOM 0 HG2 MET A 32 3.394 -7.307 10.892 1.00 0.00 H new ATOM 0 HG3 MET A 32 3.381 -8.677 9.799 1.00 0.00 H new ATOM 0 HE1 MET A 32 7.037 -7.482 11.614 1.00 0.00 H new ATOM 0 HE2 MET A 32 5.509 -6.652 11.992 1.00 0.00 H new ATOM 0 HE3 MET A 32 5.584 -8.430 12.010 1.00 0.00 H new ATOM 562 N TYR A 33 2.563 -3.889 7.881 1.00 0.00 N ATOM 563 CA TYR A 33 3.079 -2.593 7.460 1.00 0.00 C ATOM 564 C TYR A 33 2.513 -1.474 8.332 1.00 0.00 C ATOM 565 O TYR A 33 3.232 -0.558 8.724 1.00 0.00 O ATOM 566 CB TYR A 33 2.741 -2.342 5.987 1.00 0.00 C ATOM 567 CG TYR A 33 2.858 -0.893 5.562 1.00 0.00 C ATOM 568 CD1 TYR A 33 1.777 -0.027 5.677 1.00 0.00 C ATOM 569 CD2 TYR A 33 4.047 -0.392 5.049 1.00 0.00 C ATOM 570 CE1 TYR A 33 1.879 1.296 5.292 1.00 0.00 C ATOM 571 CE2 TYR A 33 4.156 0.930 4.663 1.00 0.00 C ATOM 572 CZ TYR A 33 3.069 1.769 4.787 1.00 0.00 C ATOM 573 OH TYR A 33 3.175 3.086 4.402 1.00 0.00 O ATOM 0 H TYR A 33 2.095 -4.416 7.144 1.00 0.00 H new ATOM 0 HA TYR A 33 4.163 -2.601 7.577 1.00 0.00 H new ATOM 0 HB2 TYR A 33 3.403 -2.946 5.366 1.00 0.00 H new ATOM 0 HB3 TYR A 33 1.724 -2.684 5.796 1.00 0.00 H new ATOM 0 HD1 TYR A 33 0.842 -0.394 6.074 1.00 0.00 H new ATOM 0 HD2 TYR A 33 4.900 -1.046 4.950 1.00 0.00 H new ATOM 0 HE1 TYR A 33 1.029 1.956 5.387 1.00 0.00 H new ATOM 0 HE2 TYR A 33 5.088 1.304 4.266 1.00 0.00 H new ATOM 0 HH TYR A 33 4.055 3.432 4.659 1.00 0.00 H new ATOM 583 N HIS A 34 1.222 -1.556 8.629 1.00 0.00 N ATOM 584 CA HIS A 34 0.568 -0.547 9.453 1.00 0.00 C ATOM 585 C HIS A 34 1.052 -0.624 10.898 1.00 0.00 C ATOM 586 O HIS A 34 1.086 0.385 11.604 1.00 0.00 O ATOM 587 CB HIS A 34 -0.952 -0.717 9.397 1.00 0.00 C ATOM 588 CG HIS A 34 -1.681 0.554 9.093 1.00 0.00 C ATOM 589 ND1 HIS A 34 -1.420 1.322 7.978 1.00 0.00 N ATOM 590 CD2 HIS A 34 -2.666 1.193 9.766 1.00 0.00 C ATOM 591 CE1 HIS A 34 -2.213 2.378 7.978 1.00 0.00 C ATOM 592 NE2 HIS A 34 -2.980 2.324 9.052 1.00 0.00 N ATOM 0 H HIS A 34 0.609 -2.308 8.313 1.00 0.00 H new ATOM 0 HA HIS A 34 0.829 0.434 9.056 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -1.199 -1.460 8.638 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -1.302 -1.108 10.352 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -0.723 1.108 7.265 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -3.121 0.873 10.692 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -2.231 3.154 7.227 1.00 0.00 H new ATOM 601 N GLN A 35 1.420 -1.823 11.333 1.00 0.00 N ATOM 602 CA GLN A 35 1.899 -2.028 12.696 1.00 0.00 C ATOM 603 C GLN A 35 3.344 -1.572 12.851 1.00 0.00 C ATOM 604 O GLN A 35 3.653 -0.720 13.681 1.00 0.00 O ATOM 605 CB GLN A 35 1.773 -3.503 13.085 1.00 0.00 C ATOM 606 CG GLN A 35 2.164 -3.786 14.526 1.00 0.00 C ATOM 607 CD GLN A 35 1.803 -5.192 14.963 1.00 0.00 C ATOM 608 OE1 GLN A 35 2.663 -5.959 15.398 1.00 0.00 O ATOM 609 NE2 GLN A 35 0.527 -5.539 14.849 1.00 0.00 N ATOM 0 H GLN A 35 1.396 -2.668 10.763 1.00 0.00 H new ATOM 0 HA GLN A 35 1.280 -1.426 13.361 1.00 0.00 H new ATOM 0 HB2 GLN A 35 0.744 -3.826 12.926 1.00 0.00 H new ATOM 0 HB3 GLN A 35 2.400 -4.100 12.423 1.00 0.00 H new ATOM 0 HG2 GLN A 35 3.237 -3.638 14.643 1.00 0.00 H new ATOM 0 HG3 GLN A 35 1.670 -3.068 15.180 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -0.152 -4.872 14.483 1.00 0.00 H new ATOM 0 HE22 GLN A 35 0.226 -6.473 15.127 1.00 0.00 H new ATOM 618 N THR A 36 4.227 -2.152 12.047 1.00 0.00 N ATOM 619 CA THR A 36 5.645 -1.815 12.096 1.00 0.00 C ATOM 620 C THR A 36 5.928 -0.489 11.395 1.00 0.00 C ATOM 621 O THR A 36 6.936 0.163 11.670 1.00 0.00 O ATOM 622 CB THR A 36 6.477 -2.928 11.455 1.00 0.00 C ATOM 623 OG1 THR A 36 7.829 -2.530 11.321 1.00 0.00 O ATOM 624 CG2 THR A 36 5.981 -3.334 10.083 1.00 0.00 C ATOM 0 H THR A 36 3.986 -2.859 11.352 1.00 0.00 H new ATOM 0 HA THR A 36 5.925 -1.712 13.144 1.00 0.00 H new ATOM 0 HB THR A 36 6.380 -3.782 12.126 1.00 0.00 H new ATOM 0 HG1 THR A 36 8.344 -3.256 10.911 1.00 0.00 H new ATOM 0 HG21 THR A 36 6.616 -4.127 9.687 1.00 0.00 H new ATOM 0 HG22 THR A 36 4.955 -3.694 10.159 1.00 0.00 H new ATOM 0 HG23 THR A 36 6.015 -2.474 9.415 1.00 0.00 H new ATOM 632 N MET A 37 5.041 -0.094 10.487 1.00 0.00 N ATOM 633 CA MET A 37 5.207 1.154 9.750 1.00 0.00 C ATOM 634 C MET A 37 6.495 1.130 8.931 1.00 0.00 C ATOM 635 O MET A 37 7.283 2.077 8.963 1.00 0.00 O ATOM 636 CB MET A 37 5.222 2.343 10.715 1.00 0.00 C ATOM 637 CG MET A 37 3.839 2.754 11.194 1.00 0.00 C ATOM 638 SD MET A 37 2.751 3.240 9.842 1.00 0.00 S ATOM 639 CE MET A 37 1.145 2.918 10.567 1.00 0.00 C ATOM 0 H MET A 37 4.201 -0.619 10.244 1.00 0.00 H new ATOM 0 HA MET A 37 4.364 1.262 9.068 1.00 0.00 H new ATOM 0 HB2 MET A 37 5.837 2.091 11.579 1.00 0.00 H new ATOM 0 HB3 MET A 37 5.695 3.193 10.224 1.00 0.00 H new ATOM 0 HG2 MET A 37 3.387 1.926 11.739 1.00 0.00 H new ATOM 0 HG3 MET A 37 3.933 3.583 11.895 1.00 0.00 H new ATOM 0 HE1 MET A 37 0.615 2.180 9.964 1.00 0.00 H new ATOM 0 HE2 MET A 37 1.273 2.535 11.579 1.00 0.00 H new ATOM 0 HE3 MET A 37 0.568 3.842 10.599 1.00 0.00 H new ATOM 649 N ASP A 38 6.705 0.038 8.200 1.00 0.00 N ATOM 650 CA ASP A 38 7.900 -0.112 7.376 1.00 0.00 C ATOM 651 C ASP A 38 7.535 -0.401 5.925 1.00 0.00 C ATOM 652 O ASP A 38 6.987 -1.457 5.609 1.00 0.00 O ATOM 653 CB ASP A 38 8.784 -1.234 7.925 1.00 0.00 C ATOM 654 CG ASP A 38 10.261 -0.926 7.784 1.00 0.00 C ATOM 655 OD1 ASP A 38 10.614 -0.086 6.929 1.00 0.00 O ATOM 656 OD2 ASP A 38 11.065 -1.523 8.530 1.00 0.00 O ATOM 0 H ASP A 38 6.064 -0.754 8.162 1.00 0.00 H new ATOM 0 HA ASP A 38 8.451 0.828 7.409 1.00 0.00 H new ATOM 0 HB2 ASP A 38 8.548 -1.397 8.977 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.557 -2.162 7.400 1.00 0.00 H new ATOM 661 N VAL A 39 7.851 0.543 5.044 1.00 0.00 N ATOM 662 CA VAL A 39 7.564 0.391 3.624 1.00 0.00 C ATOM 663 C VAL A 39 8.380 -0.749 3.021 1.00 0.00 C ATOM 664 O VAL A 39 7.994 -1.332 2.006 1.00 0.00 O ATOM 665 CB VAL A 39 7.860 1.688 2.845 1.00 0.00 C ATOM 666 CG1 VAL A 39 7.446 1.546 1.387 1.00 0.00 C ATOM 667 CG2 VAL A 39 7.157 2.872 3.490 1.00 0.00 C ATOM 0 H VAL A 39 8.306 1.422 5.290 1.00 0.00 H new ATOM 0 HA VAL A 39 6.502 0.163 3.538 1.00 0.00 H new ATOM 0 HB VAL A 39 8.934 1.869 2.878 1.00 0.00 H new ATOM 0 HG11 VAL A 39 7.663 2.472 0.855 1.00 0.00 H new ATOM 0 HG12 VAL A 39 8.000 0.726 0.930 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.378 1.338 1.331 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.378 3.778 2.926 1.00 0.00 H new ATOM 0 HG22 VAL A 39 6.081 2.699 3.492 1.00 0.00 H new ATOM 0 HG23 VAL A 39 7.507 2.989 4.516 1.00 0.00 H new ATOM 677 N ALA A 40 9.502 -1.072 3.658 1.00 0.00 N ATOM 678 CA ALA A 40 10.360 -2.148 3.187 1.00 0.00 C ATOM 679 C ALA A 40 9.689 -3.492 3.415 1.00 0.00 C ATOM 680 O ALA A 40 9.986 -4.474 2.732 1.00 0.00 O ATOM 681 CB ALA A 40 11.708 -2.099 3.891 1.00 0.00 C ATOM 0 H ALA A 40 9.836 -0.603 4.500 1.00 0.00 H new ATOM 0 HA ALA A 40 10.526 -2.019 2.117 1.00 0.00 H new ATOM 0 HB1 ALA A 40 12.338 -2.911 3.527 1.00 0.00 H new ATOM 0 HB2 ALA A 40 12.192 -1.144 3.685 1.00 0.00 H new ATOM 0 HB3 ALA A 40 11.561 -2.207 4.966 1.00 0.00 H new ATOM 687 N VAL A 41 8.774 -3.529 4.379 1.00 0.00 N ATOM 688 CA VAL A 41 8.053 -4.748 4.695 1.00 0.00 C ATOM 689 C VAL A 41 6.982 -5.024 3.643 1.00 0.00 C ATOM 690 O VAL A 41 6.944 -6.102 3.052 1.00 0.00 O ATOM 691 CB VAL A 41 7.407 -4.671 6.094 1.00 0.00 C ATOM 692 CG1 VAL A 41 6.484 -5.858 6.338 1.00 0.00 C ATOM 693 CG2 VAL A 41 8.479 -4.598 7.170 1.00 0.00 C ATOM 0 H VAL A 41 8.517 -2.726 4.953 1.00 0.00 H new ATOM 0 HA VAL A 41 8.773 -5.567 4.695 1.00 0.00 H new ATOM 0 HB VAL A 41 6.805 -3.763 6.139 1.00 0.00 H new ATOM 0 HG11 VAL A 41 6.043 -5.778 7.331 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.692 -5.863 5.589 1.00 0.00 H new ATOM 0 HG13 VAL A 41 7.056 -6.784 6.269 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.007 -4.544 8.151 1.00 0.00 H new ATOM 0 HG22 VAL A 41 9.108 -5.487 7.118 1.00 0.00 H new ATOM 0 HG23 VAL A 41 9.092 -3.710 7.013 1.00 0.00 H new ATOM 703 N LEU A 42 6.118 -4.039 3.410 1.00 0.00 N ATOM 704 CA LEU A 42 5.055 -4.175 2.424 1.00 0.00 C ATOM 705 C LEU A 42 5.630 -4.550 1.062 1.00 0.00 C ATOM 706 O LEU A 42 5.075 -5.388 0.352 1.00 0.00 O ATOM 707 CB LEU A 42 4.262 -2.871 2.321 1.00 0.00 C ATOM 708 CG LEU A 42 2.780 -2.990 2.670 1.00 0.00 C ATOM 709 CD1 LEU A 42 2.137 -1.615 2.754 1.00 0.00 C ATOM 710 CD2 LEU A 42 2.060 -3.857 1.648 1.00 0.00 C ATOM 0 H LEU A 42 6.135 -3.140 3.891 1.00 0.00 H new ATOM 0 HA LEU A 42 4.385 -4.972 2.746 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.718 -2.133 2.981 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.351 -2.488 1.304 1.00 0.00 H new ATOM 0 HG LEU A 42 2.694 -3.467 3.646 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.081 -1.722 3.004 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.635 -1.027 3.525 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.233 -1.109 1.793 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.005 -3.931 1.912 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.156 -3.409 0.659 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.503 -4.853 1.640 1.00 0.00 H new ATOM 722 N VAL A 43 6.752 -3.927 0.706 1.00 0.00 N ATOM 723 CA VAL A 43 7.403 -4.202 -0.566 1.00 0.00 C ATOM 724 C VAL A 43 7.920 -5.637 -0.614 1.00 0.00 C ATOM 725 O VAL A 43 7.673 -6.366 -1.575 1.00 0.00 O ATOM 726 CB VAL A 43 8.575 -3.236 -0.822 1.00 0.00 C ATOM 727 CG1 VAL A 43 9.177 -3.473 -2.199 1.00 0.00 C ATOM 728 CG2 VAL A 43 8.118 -1.792 -0.676 1.00 0.00 C ATOM 0 H VAL A 43 7.226 -3.231 1.281 1.00 0.00 H new ATOM 0 HA VAL A 43 6.653 -4.059 -1.344 1.00 0.00 H new ATOM 0 HB VAL A 43 9.347 -3.428 -0.077 1.00 0.00 H new ATOM 0 HG11 VAL A 43 10.003 -2.780 -2.359 1.00 0.00 H new ATOM 0 HG12 VAL A 43 9.545 -4.497 -2.264 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.415 -3.312 -2.962 1.00 0.00 H new ATOM 0 HG21 VAL A 43 8.959 -1.124 -0.860 1.00 0.00 H new ATOM 0 HG22 VAL A 43 7.326 -1.586 -1.397 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.741 -1.630 0.334 1.00 0.00 H new ATOM 738 N GLY A 44 8.636 -6.038 0.433 1.00 0.00 N ATOM 739 CA GLY A 44 9.174 -7.385 0.488 1.00 0.00 C ATOM 740 C GLY A 44 8.092 -8.443 0.393 1.00 0.00 C ATOM 741 O GLY A 44 8.158 -9.337 -0.453 1.00 0.00 O ATOM 0 H GLY A 44 8.852 -5.456 1.242 1.00 0.00 H new ATOM 0 HA2 GLY A 44 9.886 -7.523 -0.326 1.00 0.00 H new ATOM 0 HA3 GLY A 44 9.725 -7.516 1.419 1.00 0.00 H new ATOM 745 N ASP A 45 7.092 -8.339 1.260 1.00 0.00 N ATOM 746 CA ASP A 45 5.988 -9.291 1.272 1.00 0.00 C ATOM 747 C ASP A 45 5.225 -9.252 -0.047 1.00 0.00 C ATOM 748 O ASP A 45 4.860 -10.294 -0.596 1.00 0.00 O ATOM 749 CB ASP A 45 5.040 -8.990 2.433 1.00 0.00 C ATOM 750 CG ASP A 45 5.776 -8.784 3.742 1.00 0.00 C ATOM 751 OD1 ASP A 45 6.835 -9.419 3.936 1.00 0.00 O ATOM 752 OD2 ASP A 45 5.295 -7.986 4.575 1.00 0.00 O ATOM 0 H ASP A 45 7.023 -7.604 1.964 1.00 0.00 H new ATOM 0 HA ASP A 45 6.403 -10.291 1.402 1.00 0.00 H new ATOM 0 HB2 ASP A 45 4.459 -8.097 2.202 1.00 0.00 H new ATOM 0 HB3 ASP A 45 4.332 -9.812 2.543 1.00 0.00 H new ATOM 757 N LEU A 46 4.985 -8.045 -0.556 1.00 0.00 N ATOM 758 CA LEU A 46 4.264 -7.877 -1.813 1.00 0.00 C ATOM 759 C LEU A 46 4.888 -8.732 -2.911 1.00 0.00 C ATOM 760 O LEU A 46 4.183 -9.371 -3.690 1.00 0.00 O ATOM 761 CB LEU A 46 4.250 -6.406 -2.235 1.00 0.00 C ATOM 762 CG LEU A 46 3.026 -5.607 -1.777 1.00 0.00 C ATOM 763 CD1 LEU A 46 3.132 -4.160 -2.235 1.00 0.00 C ATOM 764 CD2 LEU A 46 1.743 -6.236 -2.304 1.00 0.00 C ATOM 0 H LEU A 46 5.279 -7.172 -0.118 1.00 0.00 H new ATOM 0 HA LEU A 46 3.236 -8.205 -1.659 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.146 -5.924 -1.843 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.310 -6.356 -3.322 1.00 0.00 H new ATOM 0 HG LEU A 46 2.996 -5.626 -0.688 1.00 0.00 H new ATOM 0 HD11 LEU A 46 2.254 -3.607 -1.901 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.028 -3.709 -1.810 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.190 -4.126 -3.323 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.886 -5.652 -1.967 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.766 -6.250 -3.394 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.657 -7.256 -1.929 1.00 0.00 H new ATOM 776 N LYS A 47 6.218 -8.748 -2.962 1.00 0.00 N ATOM 777 CA LYS A 47 6.931 -9.538 -3.960 1.00 0.00 C ATOM 778 C LYS A 47 6.703 -11.026 -3.721 1.00 0.00 C ATOM 779 O LYS A 47 6.333 -11.767 -4.634 1.00 0.00 O ATOM 780 CB LYS A 47 8.428 -9.225 -3.914 1.00 0.00 C ATOM 781 CG LYS A 47 8.759 -7.778 -4.237 1.00 0.00 C ATOM 782 CD LYS A 47 8.431 -7.439 -5.681 1.00 0.00 C ATOM 783 CE LYS A 47 9.473 -6.514 -6.286 1.00 0.00 C ATOM 784 NZ LYS A 47 8.983 -5.862 -7.532 1.00 0.00 N ATOM 0 H LYS A 47 6.821 -8.225 -2.327 1.00 0.00 H new ATOM 0 HA LYS A 47 6.546 -9.277 -4.946 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.810 -9.463 -2.921 1.00 0.00 H new ATOM 0 HB3 LYS A 47 8.948 -9.874 -4.619 1.00 0.00 H new ATOM 0 HG2 LYS A 47 8.201 -7.119 -3.572 1.00 0.00 H new ATOM 0 HG3 LYS A 47 9.817 -7.596 -4.051 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.373 -8.356 -6.267 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.450 -6.966 -5.731 1.00 0.00 H new ATOM 0 HE2 LYS A 47 9.745 -5.749 -5.559 1.00 0.00 H new ATOM 0 HE3 LYS A 47 10.378 -7.081 -6.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 9.724 -5.239 -7.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 8.748 -6.591 -8.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 8.134 -5.300 -7.319 1.00 0.00 H new ATOM 798 N LEU A 48 6.919 -11.456 -2.479 1.00 0.00 N ATOM 799 CA LEU A 48 6.731 -12.856 -2.110 1.00 0.00 C ATOM 800 C LEU A 48 5.352 -13.347 -2.543 1.00 0.00 C ATOM 801 O LEU A 48 5.152 -14.536 -2.786 1.00 0.00 O ATOM 802 CB LEU A 48 6.900 -13.036 -0.601 1.00 0.00 C ATOM 803 CG LEU A 48 8.272 -12.644 -0.051 1.00 0.00 C ATOM 804 CD1 LEU A 48 8.219 -12.498 1.463 1.00 0.00 C ATOM 805 CD2 LEU A 48 9.320 -13.672 -0.453 1.00 0.00 C ATOM 0 H LEU A 48 7.224 -10.855 -1.713 1.00 0.00 H new ATOM 0 HA LEU A 48 7.488 -13.448 -2.624 1.00 0.00 H new ATOM 0 HB2 LEU A 48 6.139 -12.444 -0.093 1.00 0.00 H new ATOM 0 HB3 LEU A 48 6.711 -14.080 -0.352 1.00 0.00 H new ATOM 0 HG LEU A 48 8.552 -11.681 -0.478 1.00 0.00 H new ATOM 0 HD11 LEU A 48 9.204 -12.219 1.836 1.00 0.00 H new ATOM 0 HD12 LEU A 48 7.498 -11.725 1.729 1.00 0.00 H new ATOM 0 HD13 LEU A 48 7.917 -13.445 1.910 1.00 0.00 H new ATOM 0 HD21 LEU A 48 10.290 -13.378 -0.053 1.00 0.00 H new ATOM 0 HD22 LEU A 48 9.044 -14.648 -0.054 1.00 0.00 H new ATOM 0 HD23 LEU A 48 9.377 -13.728 -1.540 1.00 0.00 H new ATOM 817 N VAL A 49 4.409 -12.416 -2.651 1.00 0.00 N ATOM 818 CA VAL A 49 3.055 -12.744 -3.070 1.00 0.00 C ATOM 819 C VAL A 49 2.867 -12.428 -4.548 1.00 0.00 C ATOM 820 O VAL A 49 2.050 -13.047 -5.228 1.00 0.00 O ATOM 821 CB VAL A 49 2.007 -11.968 -2.250 1.00 0.00 C ATOM 822 CG1 VAL A 49 0.597 -12.387 -2.642 1.00 0.00 C ATOM 823 CG2 VAL A 49 2.237 -12.174 -0.762 1.00 0.00 C ATOM 0 H VAL A 49 4.560 -11.427 -2.453 1.00 0.00 H new ATOM 0 HA VAL A 49 2.910 -13.811 -2.899 1.00 0.00 H new ATOM 0 HB VAL A 49 2.117 -10.906 -2.470 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.127 -11.826 -2.050 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.437 -12.182 -3.701 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.469 -13.453 -2.456 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.488 -11.619 -0.198 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.157 -13.235 -0.525 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.231 -11.816 -0.495 1.00 0.00 H new ATOM 833 N ILE A 50 3.633 -11.456 -5.036 1.00 0.00 N ATOM 834 CA ILE A 50 3.561 -11.047 -6.432 1.00 0.00 C ATOM 835 C ILE A 50 4.751 -11.575 -7.225 1.00 0.00 C ATOM 836 O ILE A 50 5.134 -11.010 -8.251 1.00 0.00 O ATOM 837 CB ILE A 50 3.500 -9.513 -6.559 1.00 0.00 C ATOM 838 CG1 ILE A 50 2.366 -8.956 -5.699 1.00 0.00 C ATOM 839 CG2 ILE A 50 3.317 -9.103 -8.009 1.00 0.00 C ATOM 840 CD1 ILE A 50 2.591 -7.527 -5.261 1.00 0.00 C ATOM 0 H ILE A 50 4.313 -10.936 -4.481 1.00 0.00 H new ATOM 0 HA ILE A 50 2.646 -11.474 -6.844 1.00 0.00 H new ATOM 0 HB ILE A 50 4.443 -9.099 -6.203 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.433 -9.014 -6.259 1.00 0.00 H new ATOM 0 HG13 ILE A 50 2.247 -9.584 -4.816 1.00 0.00 H new ATOM 0 HG21 ILE A 50 3.276 -8.016 -8.077 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.155 -9.473 -8.600 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.388 -9.526 -8.392 1.00 0.00 H new ATOM 0 HD11 ILE A 50 1.748 -7.195 -4.654 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.507 -7.467 -4.673 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.680 -6.887 -6.139 1.00 0.00 H new ATOM 852 N ASN A 51 5.329 -12.665 -6.746 1.00 0.00 N ATOM 853 CA ASN A 51 6.477 -13.284 -7.405 1.00 0.00 C ATOM 854 C ASN A 51 6.236 -13.420 -8.907 1.00 0.00 C ATOM 855 O ASN A 51 7.176 -13.401 -9.703 1.00 0.00 O ATOM 856 CB ASN A 51 6.762 -14.658 -6.792 1.00 0.00 C ATOM 857 CG ASN A 51 8.020 -14.661 -5.946 1.00 0.00 C ATOM 858 OD1 ASN A 51 8.031 -14.149 -4.827 1.00 0.00 O ATOM 859 ND2 ASN A 51 9.090 -15.243 -6.478 1.00 0.00 N ATOM 0 H ASN A 51 5.023 -13.144 -5.899 1.00 0.00 H new ATOM 0 HA ASN A 51 7.343 -12.640 -7.254 1.00 0.00 H new ATOM 0 HB2 ASN A 51 5.914 -14.963 -6.179 1.00 0.00 H new ATOM 0 HB3 ASN A 51 6.861 -15.395 -7.589 1.00 0.00 H new ATOM 0 HD21 ASN A 51 9.965 -15.278 -5.955 1.00 0.00 H new ATOM 0 HD22 ASN A 51 9.036 -15.655 -7.409 1.00 0.00 H new ATOM 866 N GLU A 52 4.967 -13.554 -9.289 1.00 0.00 N ATOM 867 CA GLU A 52 4.601 -13.690 -10.694 1.00 0.00 C ATOM 868 C GLU A 52 4.164 -12.344 -11.271 1.00 0.00 C ATOM 869 O GLU A 52 3.674 -11.478 -10.546 1.00 0.00 O ATOM 870 CB GLU A 52 3.477 -14.715 -10.854 1.00 0.00 C ATOM 871 CG GLU A 52 3.971 -16.149 -10.943 1.00 0.00 C ATOM 872 CD GLU A 52 3.931 -16.691 -12.358 1.00 0.00 C ATOM 873 OE1 GLU A 52 2.905 -16.495 -13.042 1.00 0.00 O ATOM 874 OE2 GLU A 52 4.928 -17.314 -12.783 1.00 0.00 O ATOM 0 H GLU A 52 4.177 -13.571 -8.644 1.00 0.00 H new ATOM 0 HA GLU A 52 5.477 -14.036 -11.242 1.00 0.00 H new ATOM 0 HB2 GLU A 52 2.793 -14.627 -10.010 1.00 0.00 H new ATOM 0 HB3 GLU A 52 2.907 -14.479 -11.752 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.992 -16.202 -10.566 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.360 -16.781 -10.298 1.00 0.00 H new ATOM 881 N PRO A 53 4.338 -12.150 -12.589 1.00 0.00 N ATOM 882 CA PRO A 53 3.963 -10.904 -13.264 1.00 0.00 C ATOM 883 C PRO A 53 2.454 -10.675 -13.288 1.00 0.00 C ATOM 884 O PRO A 53 1.992 -9.554 -13.498 1.00 0.00 O ATOM 885 CB PRO A 53 4.497 -11.086 -14.684 1.00 0.00 C ATOM 886 CG PRO A 53 4.571 -12.556 -14.871 1.00 0.00 C ATOM 887 CD PRO A 53 4.917 -13.129 -13.526 1.00 0.00 C ATOM 0 HA PRO A 53 4.370 -10.034 -12.749 1.00 0.00 H new ATOM 0 HB2 PRO A 53 3.836 -10.626 -15.418 1.00 0.00 H new ATOM 0 HB3 PRO A 53 5.476 -10.622 -14.802 1.00 0.00 H new ATOM 0 HG2 PRO A 53 3.621 -12.952 -15.231 1.00 0.00 H new ATOM 0 HG3 PRO A 53 5.326 -12.817 -15.612 1.00 0.00 H new ATOM 0 HD2 PRO A 53 4.489 -14.122 -13.388 1.00 0.00 H new ATOM 0 HD3 PRO A 53 5.995 -13.226 -13.394 1.00 0.00 H new ATOM 895 N SER A 54 1.690 -11.742 -13.077 1.00 0.00 N ATOM 896 CA SER A 54 0.233 -11.652 -13.082 1.00 0.00 C ATOM 897 C SER A 54 -0.274 -10.823 -11.905 1.00 0.00 C ATOM 898 O SER A 54 -1.227 -10.055 -12.041 1.00 0.00 O ATOM 899 CB SER A 54 -0.383 -13.051 -13.035 1.00 0.00 C ATOM 900 OG SER A 54 0.265 -13.926 -13.942 1.00 0.00 O ATOM 0 H SER A 54 2.054 -12.678 -12.901 1.00 0.00 H new ATOM 0 HA SER A 54 -0.068 -11.156 -14.004 1.00 0.00 H new ATOM 0 HB2 SER A 54 -0.308 -13.451 -12.024 1.00 0.00 H new ATOM 0 HB3 SER A 54 -1.444 -12.992 -13.277 1.00 0.00 H new ATOM 0 HG SER A 54 -0.147 -14.814 -13.891 1.00 0.00 H new ATOM 906 N ARG A 55 0.363 -10.985 -10.750 1.00 0.00 N ATOM 907 CA ARG A 55 -0.030 -10.254 -9.550 1.00 0.00 C ATOM 908 C ARG A 55 0.672 -8.898 -9.458 1.00 0.00 C ATOM 909 O ARG A 55 0.602 -8.225 -8.431 1.00 0.00 O ATOM 910 CB ARG A 55 0.279 -11.086 -8.304 1.00 0.00 C ATOM 911 CG ARG A 55 -0.520 -12.376 -8.225 1.00 0.00 C ATOM 912 CD ARG A 55 0.363 -13.557 -7.849 1.00 0.00 C ATOM 913 NE ARG A 55 -0.393 -14.616 -7.185 1.00 0.00 N ATOM 914 CZ ARG A 55 0.074 -15.844 -6.981 1.00 0.00 C ATOM 915 NH1 ARG A 55 1.296 -16.173 -7.383 1.00 0.00 N ATOM 916 NH2 ARG A 55 -0.682 -16.749 -6.371 1.00 0.00 N ATOM 0 H ARG A 55 1.154 -11.616 -10.619 1.00 0.00 H new ATOM 0 HA ARG A 55 -1.103 -10.071 -9.610 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.342 -11.325 -8.290 1.00 0.00 H new ATOM 0 HB3 ARG A 55 0.076 -10.487 -7.417 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -1.317 -12.267 -7.489 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -0.998 -12.569 -9.186 1.00 0.00 H new ATOM 0 HD2 ARG A 55 0.835 -13.957 -8.746 1.00 0.00 H new ATOM 0 HD3 ARG A 55 1.163 -13.217 -7.192 1.00 0.00 H new ATOM 0 HE ARG A 55 -1.335 -14.401 -6.859 1.00 0.00 H new ATOM 0 HH11 ARG A 55 1.882 -15.482 -7.851 1.00 0.00 H new ATOM 0 HH12 ARG A 55 1.649 -17.117 -7.224 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -1.621 -16.502 -6.059 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -0.324 -17.691 -6.215 1.00 0.00 H new ATOM 930 N LEU A 56 1.348 -8.500 -10.533 1.00 0.00 N ATOM 931 CA LEU A 56 2.061 -7.225 -10.567 1.00 0.00 C ATOM 932 C LEU A 56 1.150 -6.054 -10.183 1.00 0.00 C ATOM 933 O LEU A 56 1.543 -5.190 -9.398 1.00 0.00 O ATOM 934 CB LEU A 56 2.651 -6.988 -11.959 1.00 0.00 C ATOM 935 CG LEU A 56 4.079 -7.500 -12.152 1.00 0.00 C ATOM 936 CD1 LEU A 56 4.383 -7.692 -13.630 1.00 0.00 C ATOM 937 CD2 LEU A 56 5.077 -6.540 -11.522 1.00 0.00 C ATOM 0 H LEU A 56 1.417 -9.043 -11.394 1.00 0.00 H new ATOM 0 HA LEU A 56 2.865 -7.279 -9.833 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.007 -7.467 -12.696 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.633 -5.918 -12.167 1.00 0.00 H new ATOM 0 HG LEU A 56 4.169 -8.466 -11.656 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.403 -8.057 -13.747 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.688 -8.417 -14.053 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.276 -6.740 -14.150 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.088 -6.919 -11.668 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.985 -5.560 -11.991 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.873 -6.452 -10.455 1.00 0.00 H new ATOM 949 N PRO A 57 -0.076 -5.998 -10.739 1.00 0.00 N ATOM 950 CA PRO A 57 -1.029 -4.917 -10.455 1.00 0.00 C ATOM 951 C PRO A 57 -1.101 -4.536 -8.976 1.00 0.00 C ATOM 952 O PRO A 57 -1.477 -3.415 -8.641 1.00 0.00 O ATOM 953 CB PRO A 57 -2.357 -5.505 -10.923 1.00 0.00 C ATOM 954 CG PRO A 57 -1.982 -6.400 -12.051 1.00 0.00 C ATOM 955 CD PRO A 57 -0.634 -6.975 -11.700 1.00 0.00 C ATOM 0 HA PRO A 57 -0.743 -3.990 -10.952 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -2.852 -6.057 -10.124 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -3.046 -4.725 -11.246 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.720 -7.191 -12.183 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -1.937 -5.847 -12.989 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.725 -7.966 -11.256 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.000 -7.077 -12.581 1.00 0.00 H new ATOM 963 N LEU A 58 -0.749 -5.467 -8.095 1.00 0.00 N ATOM 964 CA LEU A 58 -0.786 -5.209 -6.656 1.00 0.00 C ATOM 965 C LEU A 58 0.013 -3.958 -6.294 1.00 0.00 C ATOM 966 O LEU A 58 -0.441 -3.127 -5.507 1.00 0.00 O ATOM 967 CB LEU A 58 -0.243 -6.413 -5.885 1.00 0.00 C ATOM 968 CG LEU A 58 -1.301 -7.235 -5.144 1.00 0.00 C ATOM 969 CD1 LEU A 58 -0.663 -8.440 -4.470 1.00 0.00 C ATOM 970 CD2 LEU A 58 -2.025 -6.372 -4.121 1.00 0.00 C ATOM 0 H LEU A 58 -0.436 -6.404 -8.349 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.826 -5.042 -6.376 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.281 -7.066 -6.583 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.494 -6.061 -5.163 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.031 -7.593 -5.870 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.429 -9.013 -3.948 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.189 -9.070 -5.223 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.087 -8.102 -3.755 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.774 -6.972 -3.603 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.307 -5.985 -3.398 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.514 -5.540 -4.628 1.00 0.00 H new ATOM 982 N PHE A 59 1.206 -3.834 -6.864 1.00 0.00 N ATOM 983 CA PHE A 59 2.069 -2.687 -6.591 1.00 0.00 C ATOM 984 C PHE A 59 1.379 -1.373 -6.952 1.00 0.00 C ATOM 985 O PHE A 59 1.330 -0.442 -6.146 1.00 0.00 O ATOM 986 CB PHE A 59 3.381 -2.816 -7.368 1.00 0.00 C ATOM 987 CG PHE A 59 4.030 -4.163 -7.233 1.00 0.00 C ATOM 988 CD1 PHE A 59 4.545 -4.582 -6.017 1.00 0.00 C ATOM 989 CD2 PHE A 59 4.125 -5.012 -8.325 1.00 0.00 C ATOM 990 CE1 PHE A 59 5.143 -5.822 -5.891 1.00 0.00 C ATOM 991 CE2 PHE A 59 4.723 -6.254 -8.205 1.00 0.00 C ATOM 992 CZ PHE A 59 5.232 -6.658 -6.986 1.00 0.00 C ATOM 0 H PHE A 59 1.599 -4.512 -7.517 1.00 0.00 H new ATOM 0 HA PHE A 59 2.281 -2.677 -5.522 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.190 -2.618 -8.423 1.00 0.00 H new ATOM 0 HB3 PHE A 59 4.076 -2.051 -7.021 1.00 0.00 H new ATOM 0 HD1 PHE A 59 4.478 -3.932 -5.157 1.00 0.00 H new ATOM 0 HD2 PHE A 59 3.728 -4.700 -9.280 1.00 0.00 H new ATOM 0 HE1 PHE A 59 5.540 -6.136 -4.937 1.00 0.00 H new ATOM 0 HE2 PHE A 59 4.792 -6.906 -9.063 1.00 0.00 H new ATOM 0 HZ PHE A 59 5.699 -7.627 -6.890 1.00 0.00 H new ATOM 1002 N ASP A 60 0.846 -1.303 -8.168 1.00 0.00 N ATOM 1003 CA ASP A 60 0.163 -0.102 -8.633 1.00 0.00 C ATOM 1004 C ASP A 60 -1.209 0.019 -7.984 1.00 0.00 C ATOM 1005 O ASP A 60 -1.726 1.118 -7.802 1.00 0.00 O ATOM 1006 CB ASP A 60 0.019 -0.127 -10.155 1.00 0.00 C ATOM 1007 CG ASP A 60 -0.329 1.236 -10.724 1.00 0.00 C ATOM 1008 OD1 ASP A 60 -1.482 1.679 -10.538 1.00 0.00 O ATOM 1009 OD2 ASP A 60 0.550 1.858 -11.355 1.00 0.00 O ATOM 0 H ASP A 60 0.874 -2.063 -8.848 1.00 0.00 H new ATOM 0 HA ASP A 60 0.762 0.763 -8.348 1.00 0.00 H new ATOM 0 HB2 ASP A 60 0.951 -0.477 -10.600 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -0.755 -0.842 -10.433 1.00 0.00 H new ATOM 1014 N ALA A 61 -1.791 -1.119 -7.642 1.00 0.00 N ATOM 1015 CA ALA A 61 -3.102 -1.157 -7.012 1.00 0.00 C ATOM 1016 C ALA A 61 -3.064 -0.581 -5.600 1.00 0.00 C ATOM 1017 O ALA A 61 -3.925 0.211 -5.216 1.00 0.00 O ATOM 1018 CB ALA A 61 -3.614 -2.589 -6.988 1.00 0.00 C ATOM 0 H ALA A 61 -1.372 -2.037 -7.792 1.00 0.00 H new ATOM 0 HA ALA A 61 -3.781 -0.537 -7.598 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -4.596 -2.616 -6.516 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -3.691 -2.965 -8.008 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -2.922 -3.213 -6.423 1.00 0.00 H new ATOM 1024 N ILE A 62 -2.071 -1.004 -4.822 1.00 0.00 N ATOM 1025 CA ILE A 62 -1.923 -0.558 -3.438 1.00 0.00 C ATOM 1026 C ILE A 62 -1.392 0.872 -3.331 1.00 0.00 C ATOM 1027 O ILE A 62 -1.768 1.610 -2.424 1.00 0.00 O ATOM 1028 CB ILE A 62 -0.989 -1.499 -2.651 1.00 0.00 C ATOM 1029 CG1 ILE A 62 -1.433 -2.953 -2.822 1.00 0.00 C ATOM 1030 CG2 ILE A 62 -0.968 -1.120 -1.179 1.00 0.00 C ATOM 1031 CD1 ILE A 62 -0.301 -3.950 -2.685 1.00 0.00 C ATOM 0 H ILE A 62 -1.352 -1.659 -5.129 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.924 -0.581 -3.007 1.00 0.00 H new ATOM 0 HB ILE A 62 0.021 -1.395 -3.047 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -2.199 -3.180 -2.080 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.894 -3.071 -3.803 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -0.304 -1.795 -0.639 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.610 -0.096 -1.072 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.975 -1.197 -0.769 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.688 -4.960 -2.818 1.00 0.00 H new ATOM 0 HD12 ILE A 62 0.455 -3.748 -3.444 1.00 0.00 H new ATOM 0 HD13 ILE A 62 0.146 -3.860 -1.695 1.00 0.00 H new ATOM 1043 N ARG A 63 -0.501 1.251 -4.242 1.00 0.00 N ATOM 1044 CA ARG A 63 0.099 2.588 -4.224 1.00 0.00 C ATOM 1045 C ARG A 63 -0.935 3.692 -3.956 1.00 0.00 C ATOM 1046 O ARG A 63 -0.761 4.506 -3.049 1.00 0.00 O ATOM 1047 CB ARG A 63 0.811 2.859 -5.553 1.00 0.00 C ATOM 1048 CG ARG A 63 2.255 3.303 -5.389 1.00 0.00 C ATOM 1049 CD ARG A 63 2.789 3.938 -6.662 1.00 0.00 C ATOM 1050 NE ARG A 63 1.884 4.958 -7.188 1.00 0.00 N ATOM 1051 CZ ARG A 63 1.917 5.404 -8.443 1.00 0.00 C ATOM 1052 NH1 ARG A 63 2.808 4.922 -9.301 1.00 0.00 N ATOM 1053 NH2 ARG A 63 1.058 6.333 -8.838 1.00 0.00 N ATOM 0 H ARG A 63 -0.176 0.654 -5.003 1.00 0.00 H new ATOM 0 HA ARG A 63 0.817 2.607 -3.404 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.784 1.955 -6.161 1.00 0.00 H new ATOM 0 HB3 ARG A 63 0.263 3.627 -6.099 1.00 0.00 H new ATOM 0 HG2 ARG A 63 2.327 4.016 -4.568 1.00 0.00 H new ATOM 0 HG3 ARG A 63 2.873 2.445 -5.122 1.00 0.00 H new ATOM 0 HD2 ARG A 63 3.763 4.386 -6.463 1.00 0.00 H new ATOM 0 HD3 ARG A 63 2.942 3.166 -7.416 1.00 0.00 H new ATOM 0 HE ARG A 63 1.186 5.352 -6.557 1.00 0.00 H new ATOM 0 HH11 ARG A 63 3.471 4.207 -9.000 1.00 0.00 H new ATOM 0 HH12 ARG A 63 2.830 5.266 -10.261 1.00 0.00 H new ATOM 0 HH21 ARG A 63 0.372 6.706 -8.181 1.00 0.00 H new ATOM 0 HH22 ARG A 63 1.083 6.675 -9.799 1.00 0.00 H new ATOM 1067 N PRO A 64 -2.016 3.743 -4.752 1.00 0.00 N ATOM 1068 CA PRO A 64 -3.067 4.759 -4.614 1.00 0.00 C ATOM 1069 C PRO A 64 -3.494 5.018 -3.170 1.00 0.00 C ATOM 1070 O PRO A 64 -3.516 6.164 -2.721 1.00 0.00 O ATOM 1071 CB PRO A 64 -4.225 4.159 -5.409 1.00 0.00 C ATOM 1072 CG PRO A 64 -3.566 3.346 -6.470 1.00 0.00 C ATOM 1073 CD PRO A 64 -2.286 2.824 -5.870 1.00 0.00 C ATOM 0 HA PRO A 64 -2.725 5.732 -4.966 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -4.864 3.543 -4.776 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -4.856 4.936 -5.839 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -4.210 2.525 -6.787 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -3.363 3.951 -7.353 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -2.397 1.796 -5.524 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -1.473 2.829 -6.596 1.00 0.00 H new ATOM 1081 N LEU A 65 -3.855 3.960 -2.451 1.00 0.00 N ATOM 1082 CA LEU A 65 -4.303 4.099 -1.068 1.00 0.00 C ATOM 1083 C LEU A 65 -3.147 4.411 -0.117 1.00 0.00 C ATOM 1084 O LEU A 65 -3.369 4.687 1.062 1.00 0.00 O ATOM 1085 CB LEU A 65 -5.036 2.836 -0.606 1.00 0.00 C ATOM 1086 CG LEU A 65 -4.273 1.526 -0.806 1.00 0.00 C ATOM 1087 CD1 LEU A 65 -4.519 0.581 0.363 1.00 0.00 C ATOM 1088 CD2 LEU A 65 -4.678 0.871 -2.119 1.00 0.00 C ATOM 0 H LEU A 65 -3.847 3.001 -2.800 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.992 4.943 -1.040 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.273 2.941 0.453 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -5.984 2.770 -1.140 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.207 1.749 -0.847 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.968 -0.346 0.204 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -4.181 1.050 1.287 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -5.584 0.362 0.436 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -4.126 -0.060 -2.247 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.747 0.660 -2.106 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -4.451 1.543 -2.946 1.00 0.00 H new ATOM 1100 N ILE A 66 -1.918 4.370 -0.624 1.00 0.00 N ATOM 1101 CA ILE A 66 -0.754 4.656 0.205 1.00 0.00 C ATOM 1102 C ILE A 66 -0.469 6.161 0.249 1.00 0.00 C ATOM 1103 O ILE A 66 -0.620 6.856 -0.755 1.00 0.00 O ATOM 1104 CB ILE A 66 0.498 3.885 -0.292 1.00 0.00 C ATOM 1105 CG1 ILE A 66 1.292 3.342 0.896 1.00 0.00 C ATOM 1106 CG2 ILE A 66 1.388 4.756 -1.174 1.00 0.00 C ATOM 1107 CD1 ILE A 66 1.803 1.934 0.686 1.00 0.00 C ATOM 0 H ILE A 66 -1.705 4.144 -1.595 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.982 4.316 1.215 1.00 0.00 H new ATOM 0 HB ILE A 66 0.151 3.050 -0.901 1.00 0.00 H new ATOM 0 HG12 ILE A 66 2.138 4.002 1.090 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.661 3.363 1.785 1.00 0.00 H new ATOM 0 HG21 ILE A 66 2.253 4.179 -1.501 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.823 5.088 -2.045 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.724 5.624 -0.607 1.00 0.00 H new ATOM 0 HD11 ILE A 66 2.357 1.613 1.568 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.961 1.262 0.522 1.00 0.00 H new ATOM 0 HD13 ILE A 66 2.460 1.911 -0.183 1.00 0.00 H new ATOM 1119 N PRO A 67 -0.051 6.682 1.420 1.00 0.00 N ATOM 1120 CA PRO A 67 0.260 8.105 1.593 1.00 0.00 C ATOM 1121 C PRO A 67 0.999 8.700 0.419 1.00 0.00 C ATOM 1122 O PRO A 67 1.911 8.103 -0.148 1.00 0.00 O ATOM 1123 CB PRO A 67 1.129 8.112 2.847 1.00 0.00 C ATOM 1124 CG PRO A 67 0.610 6.974 3.655 1.00 0.00 C ATOM 1125 CD PRO A 67 0.162 5.923 2.669 1.00 0.00 C ATOM 0 HA PRO A 67 -0.641 8.713 1.672 1.00 0.00 H new ATOM 0 HB2 PRO A 67 2.183 7.979 2.602 1.00 0.00 H new ATOM 0 HB3 PRO A 67 1.043 9.055 3.386 1.00 0.00 H new ATOM 0 HG2 PRO A 67 1.383 6.582 4.316 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -0.219 7.292 4.287 1.00 0.00 H new ATOM 0 HD2 PRO A 67 0.916 5.146 2.542 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -0.752 5.429 2.998 1.00 0.00 H new ATOM 1133 N LEU A 68 0.568 9.894 0.073 1.00 0.00 N ATOM 1134 CA LEU A 68 1.125 10.646 -1.023 1.00 0.00 C ATOM 1135 C LEU A 68 2.648 10.721 -0.941 1.00 0.00 C ATOM 1136 O LEU A 68 3.326 10.873 -1.957 1.00 0.00 O ATOM 1137 CB LEU A 68 0.510 12.030 -0.970 1.00 0.00 C ATOM 1138 CG LEU A 68 -0.592 12.287 -1.992 1.00 0.00 C ATOM 1139 CD1 LEU A 68 -1.165 13.685 -1.821 1.00 0.00 C ATOM 1140 CD2 LEU A 68 -0.070 12.088 -3.407 1.00 0.00 C ATOM 0 H LEU A 68 -0.192 10.374 0.555 1.00 0.00 H new ATOM 0 HA LEU A 68 0.897 10.155 -1.969 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.103 12.192 0.028 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.299 12.767 -1.116 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.392 11.567 -1.821 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.950 13.849 -2.559 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -1.582 13.787 -0.819 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -0.374 14.422 -1.962 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -0.872 12.276 -4.121 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.751 12.781 -3.593 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.286 11.064 -3.523 1.00 0.00 H new ATOM 1152 N LYS A 69 3.183 10.588 0.265 1.00 0.00 N ATOM 1153 CA LYS A 69 4.623 10.611 0.460 1.00 0.00 C ATOM 1154 C LYS A 69 5.175 9.197 0.316 1.00 0.00 C ATOM 1155 O LYS A 69 6.278 8.987 -0.197 1.00 0.00 O ATOM 1156 CB LYS A 69 4.972 11.178 1.837 1.00 0.00 C ATOM 1157 CG LYS A 69 4.454 10.339 2.993 1.00 0.00 C ATOM 1158 CD LYS A 69 4.180 11.193 4.221 1.00 0.00 C ATOM 1159 CE LYS A 69 3.331 10.448 5.237 1.00 0.00 C ATOM 1160 NZ LYS A 69 1.879 10.721 5.057 1.00 0.00 N ATOM 0 H LYS A 69 2.641 10.463 1.120 1.00 0.00 H new ATOM 0 HA LYS A 69 5.074 11.255 -0.295 1.00 0.00 H new ATOM 0 HB2 LYS A 69 6.055 11.265 1.920 1.00 0.00 H new ATOM 0 HB3 LYS A 69 4.564 12.185 1.919 1.00 0.00 H new ATOM 0 HG2 LYS A 69 3.539 9.828 2.692 1.00 0.00 H new ATOM 0 HG3 LYS A 69 5.184 9.568 3.240 1.00 0.00 H new ATOM 0 HD2 LYS A 69 5.124 11.487 4.679 1.00 0.00 H new ATOM 0 HD3 LYS A 69 3.672 12.110 3.922 1.00 0.00 H new ATOM 0 HE2 LYS A 69 3.513 9.377 5.146 1.00 0.00 H new ATOM 0 HE3 LYS A 69 3.632 10.738 6.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 1.334 9.864 5.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 1.589 11.492 5.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 1.698 10.999 4.071 1.00 0.00 H new ATOM 1174 N HIS A 70 4.382 8.229 0.765 1.00 0.00 N ATOM 1175 CA HIS A 70 4.760 6.827 0.689 1.00 0.00 C ATOM 1176 C HIS A 70 4.623 6.303 -0.734 1.00 0.00 C ATOM 1177 O HIS A 70 5.374 5.424 -1.150 1.00 0.00 O ATOM 1178 CB HIS A 70 3.904 5.994 1.642 1.00 0.00 C ATOM 1179 CG HIS A 70 4.198 6.253 3.087 1.00 0.00 C ATOM 1180 ND1 HIS A 70 3.521 5.638 4.118 1.00 0.00 N ATOM 1181 CD2 HIS A 70 5.106 7.071 3.671 1.00 0.00 C ATOM 1182 CE1 HIS A 70 3.997 6.066 5.273 1.00 0.00 C ATOM 1183 NE2 HIS A 70 4.960 6.935 5.030 1.00 0.00 N ATOM 0 H HIS A 70 3.468 8.394 1.187 1.00 0.00 H new ATOM 0 HA HIS A 70 5.805 6.741 0.986 1.00 0.00 H new ATOM 0 HB2 HIS A 70 2.852 6.203 1.450 1.00 0.00 H new ATOM 0 HB3 HIS A 70 4.063 4.937 1.431 1.00 0.00 H new ATOM 0 HD1 HIS A 70 2.769 4.958 4.006 1.00 0.00 H new ATOM 0 HD2 HIS A 70 5.813 7.711 3.163 1.00 0.00 H new ATOM 0 HE1 HIS A 70 3.656 5.757 6.250 1.00 0.00 H new ATOM 1192 N GLN A 71 3.669 6.849 -1.487 1.00 0.00 N ATOM 1193 CA GLN A 71 3.466 6.423 -2.867 1.00 0.00 C ATOM 1194 C GLN A 71 4.698 6.758 -3.697 1.00 0.00 C ATOM 1195 O GLN A 71 5.142 5.962 -4.524 1.00 0.00 O ATOM 1196 CB GLN A 71 2.220 7.085 -3.467 1.00 0.00 C ATOM 1197 CG GLN A 71 2.369 8.576 -3.706 1.00 0.00 C ATOM 1198 CD GLN A 71 1.177 9.172 -4.429 1.00 0.00 C ATOM 1199 OE1 GLN A 71 -0.008 9.001 -3.856 1.00 0.00 O flip ATOM 1200 NE2 GLN A 71 1.320 9.781 -5.489 1.00 0.00 N flip ATOM 0 H GLN A 71 3.032 7.579 -1.168 1.00 0.00 H new ATOM 0 HA GLN A 71 3.311 5.344 -2.878 1.00 0.00 H new ATOM 0 HB2 GLN A 71 1.982 6.598 -4.412 1.00 0.00 H new ATOM 0 HB3 GLN A 71 1.375 6.917 -2.800 1.00 0.00 H new ATOM 0 HG2 GLN A 71 2.500 9.082 -2.750 1.00 0.00 H new ATOM 0 HG3 GLN A 71 3.272 8.758 -4.289 1.00 0.00 H new ATOM 0 HE21 GLN A 71 2.250 9.889 -5.894 1.00 0.00 H new ATOM 0 HE22 GLN A 71 0.509 10.178 -5.963 1.00 0.00 H new ATOM 1209 N VAL A 72 5.256 7.940 -3.452 1.00 0.00 N ATOM 1210 CA VAL A 72 6.451 8.377 -4.159 1.00 0.00 C ATOM 1211 C VAL A 72 7.626 7.484 -3.794 1.00 0.00 C ATOM 1212 O VAL A 72 8.235 6.858 -4.661 1.00 0.00 O ATOM 1213 CB VAL A 72 6.816 9.834 -3.823 1.00 0.00 C ATOM 1214 CG1 VAL A 72 7.790 10.390 -4.849 1.00 0.00 C ATOM 1215 CG2 VAL A 72 5.566 10.703 -3.735 1.00 0.00 C ATOM 0 H VAL A 72 4.899 8.610 -2.770 1.00 0.00 H new ATOM 0 HA VAL A 72 6.237 8.310 -5.226 1.00 0.00 H new ATOM 0 HB VAL A 72 7.302 9.847 -2.847 1.00 0.00 H new ATOM 0 HG11 VAL A 72 8.037 11.421 -4.595 1.00 0.00 H new ATOM 0 HG12 VAL A 72 8.699 9.789 -4.850 1.00 0.00 H new ATOM 0 HG13 VAL A 72 7.333 10.359 -5.838 1.00 0.00 H new ATOM 0 HG21 VAL A 72 5.851 11.728 -3.496 1.00 0.00 H new ATOM 0 HG22 VAL A 72 5.042 10.685 -4.691 1.00 0.00 H new ATOM 0 HG23 VAL A 72 4.910 10.318 -2.955 1.00 0.00 H new ATOM 1225 N GLU A 73 7.930 7.415 -2.499 1.00 0.00 N ATOM 1226 CA GLU A 73 9.023 6.576 -2.026 1.00 0.00 C ATOM 1227 C GLU A 73 8.777 5.135 -2.437 1.00 0.00 C ATOM 1228 O GLU A 73 9.710 4.402 -2.771 1.00 0.00 O ATOM 1229 CB GLU A 73 9.167 6.679 -0.506 1.00 0.00 C ATOM 1230 CG GLU A 73 10.500 6.166 0.015 1.00 0.00 C ATOM 1231 CD GLU A 73 10.532 6.062 1.527 1.00 0.00 C ATOM 1232 OE1 GLU A 73 9.704 6.724 2.186 1.00 0.00 O ATOM 1233 OE2 GLU A 73 11.389 5.319 2.053 1.00 0.00 O ATOM 0 H GLU A 73 7.438 7.926 -1.766 1.00 0.00 H new ATOM 0 HA GLU A 73 9.952 6.923 -2.478 1.00 0.00 H new ATOM 0 HB2 GLU A 73 9.046 7.720 -0.208 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.361 6.117 -0.034 1.00 0.00 H new ATOM 0 HG2 GLU A 73 10.703 5.186 -0.418 1.00 0.00 H new ATOM 0 HG3 GLU A 73 11.297 6.832 -0.317 1.00 0.00 H new ATOM 1240 N TYR A 74 7.508 4.744 -2.447 1.00 0.00 N ATOM 1241 CA TYR A 74 7.133 3.402 -2.858 1.00 0.00 C ATOM 1242 C TYR A 74 7.560 3.194 -4.304 1.00 0.00 C ATOM 1243 O TYR A 74 7.953 2.098 -4.702 1.00 0.00 O ATOM 1244 CB TYR A 74 5.625 3.188 -2.715 1.00 0.00 C ATOM 1245 CG TYR A 74 5.169 1.801 -3.104 1.00 0.00 C ATOM 1246 CD1 TYR A 74 5.161 1.399 -4.434 1.00 0.00 C ATOM 1247 CD2 TYR A 74 4.745 0.894 -2.142 1.00 0.00 C ATOM 1248 CE1 TYR A 74 4.744 0.131 -4.793 1.00 0.00 C ATOM 1249 CE2 TYR A 74 4.327 -0.375 -2.493 1.00 0.00 C ATOM 1250 CZ TYR A 74 4.329 -0.751 -3.818 1.00 0.00 C ATOM 1251 OH TYR A 74 3.912 -2.014 -4.172 1.00 0.00 O ATOM 0 H TYR A 74 6.725 5.338 -2.175 1.00 0.00 H new ATOM 0 HA TYR A 74 7.634 2.677 -2.216 1.00 0.00 H new ATOM 0 HB2 TYR A 74 5.336 3.379 -1.682 1.00 0.00 H new ATOM 0 HB3 TYR A 74 5.103 3.919 -3.332 1.00 0.00 H new ATOM 0 HD1 TYR A 74 5.486 2.088 -5.199 1.00 0.00 H new ATOM 0 HD2 TYR A 74 4.742 1.185 -1.102 1.00 0.00 H new ATOM 0 HE1 TYR A 74 4.743 -0.167 -5.831 1.00 0.00 H new ATOM 0 HE2 TYR A 74 4.000 -1.069 -1.732 1.00 0.00 H new ATOM 0 HH TYR A 74 4.539 -2.677 -3.815 1.00 0.00 H new ATOM 1261 N ASP A 75 7.495 4.275 -5.078 1.00 0.00 N ATOM 1262 CA ASP A 75 7.892 4.239 -6.478 1.00 0.00 C ATOM 1263 C ASP A 75 9.411 4.152 -6.590 1.00 0.00 C ATOM 1264 O ASP A 75 9.939 3.511 -7.499 1.00 0.00 O ATOM 1265 CB ASP A 75 7.382 5.480 -7.210 1.00 0.00 C ATOM 1266 CG ASP A 75 7.167 5.230 -8.690 1.00 0.00 C ATOM 1267 OD1 ASP A 75 8.169 5.128 -9.427 1.00 0.00 O ATOM 1268 OD2 ASP A 75 5.994 5.135 -9.111 1.00 0.00 O ATOM 0 H ASP A 75 7.170 5.187 -4.756 1.00 0.00 H new ATOM 0 HA ASP A 75 7.451 3.356 -6.942 1.00 0.00 H new ATOM 0 HB2 ASP A 75 6.444 5.805 -6.759 1.00 0.00 H new ATOM 0 HB3 ASP A 75 8.096 6.293 -7.082 1.00 0.00 H new ATOM 1273 N GLN A 76 10.107 4.794 -5.653 1.00 0.00 N ATOM 1274 CA GLN A 76 11.565 4.783 -5.647 1.00 0.00 C ATOM 1275 C GLN A 76 12.090 3.375 -5.382 1.00 0.00 C ATOM 1276 O GLN A 76 13.153 2.997 -5.875 1.00 0.00 O ATOM 1277 CB GLN A 76 12.099 5.748 -4.587 1.00 0.00 C ATOM 1278 CG GLN A 76 11.649 7.186 -4.792 1.00 0.00 C ATOM 1279 CD GLN A 76 11.889 8.051 -3.571 1.00 0.00 C ATOM 1280 OE1 GLN A 76 12.540 7.631 -2.615 1.00 0.00 O ATOM 1281 NE2 GLN A 76 11.361 9.269 -3.597 1.00 0.00 N ATOM 0 H GLN A 76 9.685 5.326 -4.892 1.00 0.00 H new ATOM 0 HA GLN A 76 11.914 5.106 -6.628 1.00 0.00 H new ATOM 0 HB2 GLN A 76 11.773 5.411 -3.603 1.00 0.00 H new ATOM 0 HB3 GLN A 76 13.188 5.713 -4.591 1.00 0.00 H new ATOM 0 HG2 GLN A 76 12.180 7.611 -5.644 1.00 0.00 H new ATOM 0 HG3 GLN A 76 10.587 7.199 -5.039 1.00 0.00 H new ATOM 0 HE21 GLN A 76 10.828 9.577 -4.411 1.00 0.00 H new ATOM 0 HE22 GLN A 76 11.488 9.897 -2.803 1.00 0.00 H new ATOM 1290 N LEU A 77 11.337 2.607 -4.603 1.00 0.00 N ATOM 1291 CA LEU A 77 11.723 1.240 -4.273 1.00 0.00 C ATOM 1292 C LEU A 77 11.403 0.294 -5.425 1.00 0.00 C ATOM 1293 O LEU A 77 12.175 -0.617 -5.727 1.00 0.00 O ATOM 1294 CB LEU A 77 11.003 0.777 -3.005 1.00 0.00 C ATOM 1295 CG LEU A 77 11.489 1.430 -1.708 1.00 0.00 C ATOM 1296 CD1 LEU A 77 10.320 1.701 -0.776 1.00 0.00 C ATOM 1297 CD2 LEU A 77 12.527 0.552 -1.027 1.00 0.00 C ATOM 0 H LEU A 77 10.455 2.908 -4.188 1.00 0.00 H new ATOM 0 HA LEU A 77 12.799 1.224 -4.099 1.00 0.00 H new ATOM 0 HB2 LEU A 77 9.937 0.977 -3.117 1.00 0.00 H new ATOM 0 HB3 LEU A 77 11.117 -0.303 -2.915 1.00 0.00 H new ATOM 0 HG LEU A 77 11.956 2.383 -1.955 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.685 2.165 0.140 1.00 0.00 H new ATOM 0 HD12 LEU A 77 9.612 2.371 -1.265 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.823 0.762 -0.534 1.00 0.00 H new ATOM 0 HD21 LEU A 77 12.862 1.031 -0.107 1.00 0.00 H new ATOM 0 HD22 LEU A 77 12.086 -0.417 -0.792 1.00 0.00 H new ATOM 0 HD23 LEU A 77 13.378 0.411 -1.693 1.00 0.00 H new ATOM 1398 N ARG B 103 -5.539 7.135 6.010 1.00 0.00 N ATOM 1399 CA ARG B 103 -6.969 6.917 6.185 1.00 0.00 C ATOM 1400 C ARG B 103 -7.465 5.794 5.278 1.00 0.00 C ATOM 1401 O ARG B 103 -8.314 4.995 5.671 1.00 0.00 O ATOM 1402 CB ARG B 103 -7.744 8.202 5.892 1.00 0.00 C ATOM 1403 CG ARG B 103 -9.233 8.095 6.176 1.00 0.00 C ATOM 1404 CD ARG B 103 -9.827 9.441 6.556 1.00 0.00 C ATOM 1405 NE ARG B 103 -9.424 9.859 7.896 1.00 0.00 N ATOM 1406 CZ ARG B 103 -9.976 9.395 9.015 1.00 0.00 C ATOM 1407 NH1 ARG B 103 -10.953 8.499 8.959 1.00 0.00 N ATOM 1408 NH2 ARG B 103 -9.550 9.827 10.193 1.00 0.00 N ATOM 0 HA ARG B 103 -7.140 6.626 7.221 1.00 0.00 H new ATOM 0 HB2 ARG B 103 -7.326 9.012 6.490 1.00 0.00 H new ATOM 0 HB3 ARG B 103 -7.601 8.472 4.846 1.00 0.00 H new ATOM 0 HG2 ARG B 103 -9.745 7.706 5.296 1.00 0.00 H new ATOM 0 HG3 ARG B 103 -9.400 7.382 6.983 1.00 0.00 H new ATOM 0 HD2 ARG B 103 -9.513 10.193 5.832 1.00 0.00 H new ATOM 0 HD3 ARG B 103 -10.914 9.384 6.506 1.00 0.00 H new ATOM 0 HE ARG B 103 -8.676 10.547 7.979 1.00 0.00 H new ATOM 0 HH11 ARG B 103 -11.285 8.162 8.055 1.00 0.00 H new ATOM 0 HH12 ARG B 103 -11.372 8.147 9.820 1.00 0.00 H new ATOM 0 HH21 ARG B 103 -8.799 10.515 10.243 1.00 0.00 H new ATOM 0 HH22 ARG B 103 -9.973 9.471 11.050 1.00 0.00 H new ATOM 1422 N TYR B 104 -6.927 5.742 4.064 1.00 0.00 N ATOM 1423 CA TYR B 104 -7.314 4.717 3.101 1.00 0.00 C ATOM 1424 C TYR B 104 -6.909 3.330 3.589 1.00 0.00 C ATOM 1425 O TYR B 104 -7.713 2.397 3.580 1.00 0.00 O ATOM 1426 CB TYR B 104 -6.678 4.998 1.741 1.00 0.00 C ATOM 1427 CG TYR B 104 -7.393 6.069 0.948 1.00 0.00 C ATOM 1428 CD1 TYR B 104 -7.350 7.399 1.347 1.00 0.00 C ATOM 1429 CD2 TYR B 104 -8.110 5.750 -0.199 1.00 0.00 C ATOM 1430 CE1 TYR B 104 -8.001 8.381 0.625 1.00 0.00 C ATOM 1431 CE2 TYR B 104 -8.763 6.727 -0.926 1.00 0.00 C ATOM 1432 CZ TYR B 104 -8.706 8.041 -0.510 1.00 0.00 C ATOM 1433 OH TYR B 104 -9.356 9.015 -1.232 1.00 0.00 O ATOM 0 H TYR B 104 -6.223 6.397 3.724 1.00 0.00 H new ATOM 0 HA TYR B 104 -8.399 4.743 2.998 1.00 0.00 H new ATOM 0 HB2 TYR B 104 -5.641 5.299 1.889 1.00 0.00 H new ATOM 0 HB3 TYR B 104 -6.662 4.076 1.159 1.00 0.00 H new ATOM 0 HD1 TYR B 104 -6.799 7.670 2.236 1.00 0.00 H new ATOM 0 HD2 TYR B 104 -8.158 4.722 -0.527 1.00 0.00 H new ATOM 0 HE1 TYR B 104 -7.958 9.411 0.948 1.00 0.00 H new ATOM 0 HE2 TYR B 104 -9.315 6.463 -1.816 1.00 0.00 H new ATOM 0 HH TYR B 104 -9.803 8.607 -2.003 1.00 0.00 H new ATOM 1443 N LEU B 105 -5.656 3.199 4.016 1.00 0.00 N ATOM 1444 CA LEU B 105 -5.148 1.923 4.509 1.00 0.00 C ATOM 1445 C LEU B 105 -5.998 1.415 5.670 1.00 0.00 C ATOM 1446 O LEU B 105 -6.465 0.279 5.655 1.00 0.00 O ATOM 1447 CB LEU B 105 -3.686 2.064 4.943 1.00 0.00 C ATOM 1448 CG LEU B 105 -2.688 1.245 4.122 1.00 0.00 C ATOM 1449 CD1 LEU B 105 -2.419 1.919 2.786 1.00 0.00 C ATOM 1450 CD2 LEU B 105 -1.392 1.053 4.896 1.00 0.00 C ATOM 0 H LEU B 105 -4.976 3.959 4.031 1.00 0.00 H new ATOM 0 HA LEU B 105 -5.205 1.196 3.699 1.00 0.00 H new ATOM 0 HB2 LEU B 105 -3.405 3.116 4.885 1.00 0.00 H new ATOM 0 HB3 LEU B 105 -3.603 1.769 5.989 1.00 0.00 H new ATOM 0 HG LEU B 105 -3.121 0.263 3.930 1.00 0.00 H new ATOM 0 HD11 LEU B 105 -1.707 1.323 2.215 1.00 0.00 H new ATOM 0 HD12 LEU B 105 -3.351 2.005 2.227 1.00 0.00 H new ATOM 0 HD13 LEU B 105 -2.006 2.913 2.957 1.00 0.00 H new ATOM 0 HD21 LEU B 105 -0.694 0.468 4.297 1.00 0.00 H new ATOM 0 HD22 LEU B 105 -0.953 2.026 5.118 1.00 0.00 H new ATOM 0 HD23 LEU B 105 -1.599 0.527 5.828 1.00 0.00 H new ATOM 1462 N ARG B 106 -6.196 2.265 6.670 1.00 0.00 N ATOM 1463 CA ARG B 106 -6.996 1.905 7.836 1.00 0.00 C ATOM 1464 C ARG B 106 -8.403 1.482 7.417 1.00 0.00 C ATOM 1465 O ARG B 106 -9.022 0.631 8.056 1.00 0.00 O ATOM 1466 CB ARG B 106 -7.074 3.083 8.811 1.00 0.00 C ATOM 1467 CG ARG B 106 -6.204 2.912 10.045 1.00 0.00 C ATOM 1468 CD ARG B 106 -5.699 4.251 10.559 1.00 0.00 C ATOM 1469 NE ARG B 106 -4.487 4.108 11.361 1.00 0.00 N ATOM 1470 CZ ARG B 106 -4.486 3.760 12.647 1.00 0.00 C ATOM 1471 NH1 ARG B 106 -5.627 3.514 13.277 1.00 0.00 N ATOM 1472 NH2 ARG B 106 -3.338 3.658 13.304 1.00 0.00 N ATOM 0 H ARG B 106 -5.813 3.210 6.698 1.00 0.00 H new ATOM 0 HA ARG B 106 -6.514 1.063 8.333 1.00 0.00 H new ATOM 0 HB2 ARG B 106 -6.777 3.994 8.291 1.00 0.00 H new ATOM 0 HB3 ARG B 106 -8.110 3.217 9.123 1.00 0.00 H new ATOM 0 HG2 ARG B 106 -6.775 2.412 10.828 1.00 0.00 H new ATOM 0 HG3 ARG B 106 -5.357 2.269 9.808 1.00 0.00 H new ATOM 0 HD2 ARG B 106 -5.499 4.911 9.715 1.00 0.00 H new ATOM 0 HD3 ARG B 106 -6.476 4.726 11.158 1.00 0.00 H new ATOM 0 HE ARG B 106 -3.589 4.285 10.910 1.00 0.00 H new ATOM 0 HH11 ARG B 106 -6.513 3.591 12.777 1.00 0.00 H new ATOM 0 HH12 ARG B 106 -5.619 3.248 14.262 1.00 0.00 H new ATOM 0 HH21 ARG B 106 -2.458 3.846 12.825 1.00 0.00 H new ATOM 0 HH22 ARG B 106 -3.336 3.392 14.289 1.00 0.00 H new ATOM 1486 N GLU B 107 -8.899 2.085 6.340 1.00 0.00 N ATOM 1487 CA GLU B 107 -10.231 1.771 5.836 1.00 0.00 C ATOM 1488 C GLU B 107 -10.321 0.309 5.409 1.00 0.00 C ATOM 1489 O GLU B 107 -11.150 -0.445 5.920 1.00 0.00 O ATOM 1490 CB GLU B 107 -10.581 2.685 4.659 1.00 0.00 C ATOM 1491 CG GLU B 107 -11.602 3.757 5.004 1.00 0.00 C ATOM 1492 CD GLU B 107 -11.194 4.584 6.208 1.00 0.00 C ATOM 1493 OE1 GLU B 107 -11.390 4.111 7.347 1.00 0.00 O ATOM 1494 OE2 GLU B 107 -10.679 5.705 6.011 1.00 0.00 O ATOM 0 H GLU B 107 -8.399 2.792 5.801 1.00 0.00 H new ATOM 0 HA GLU B 107 -10.947 1.938 6.641 1.00 0.00 H new ATOM 0 HB2 GLU B 107 -9.671 3.164 4.299 1.00 0.00 H new ATOM 0 HB3 GLU B 107 -10.967 2.078 3.840 1.00 0.00 H new ATOM 0 HG2 GLU B 107 -11.738 4.414 4.145 1.00 0.00 H new ATOM 0 HG3 GLU B 107 -12.565 3.286 5.200 1.00 0.00 H new ATOM 1501 N ALA B 108 -9.461 -0.086 4.476 1.00 0.00 N ATOM 1502 CA ALA B 108 -9.443 -1.460 3.987 1.00 0.00 C ATOM 1503 C ALA B 108 -8.966 -2.414 5.076 1.00 0.00 C ATOM 1504 O ALA B 108 -9.485 -3.522 5.222 1.00 0.00 O ATOM 1505 CB ALA B 108 -8.560 -1.574 2.755 1.00 0.00 C ATOM 0 H ALA B 108 -8.768 0.525 4.044 1.00 0.00 H new ATOM 0 HA ALA B 108 -10.460 -1.738 3.711 1.00 0.00 H new ATOM 0 HB1 ALA B 108 -8.558 -2.606 2.403 1.00 0.00 H new ATOM 0 HB2 ALA B 108 -8.945 -0.924 1.970 1.00 0.00 H new ATOM 0 HB3 ALA B 108 -7.543 -1.275 3.007 1.00 0.00 H new ATOM 1511 N ILE B 109 -7.975 -1.972 5.841 1.00 0.00 N ATOM 1512 CA ILE B 109 -7.420 -2.772 6.926 1.00 0.00 C ATOM 1513 C ILE B 109 -8.514 -3.162 7.920 1.00 0.00 C ATOM 1514 O ILE B 109 -8.717 -4.341 8.210 1.00 0.00 O ATOM 1515 CB ILE B 109 -6.291 -2.005 7.657 1.00 0.00 C ATOM 1516 CG1 ILE B 109 -5.031 -1.965 6.791 1.00 0.00 C ATOM 1517 CG2 ILE B 109 -5.979 -2.635 9.008 1.00 0.00 C ATOM 1518 CD1 ILE B 109 -3.936 -1.088 7.361 1.00 0.00 C ATOM 0 H ILE B 109 -7.537 -1.058 5.729 1.00 0.00 H new ATOM 0 HA ILE B 109 -6.998 -3.678 6.492 1.00 0.00 H new ATOM 0 HB ILE B 109 -6.637 -0.986 7.832 1.00 0.00 H new ATOM 0 HG12 ILE B 109 -4.649 -2.979 6.672 1.00 0.00 H new ATOM 0 HG13 ILE B 109 -5.294 -1.605 5.797 1.00 0.00 H new ATOM 0 HG21 ILE B 109 -5.182 -2.073 9.496 1.00 0.00 H new ATOM 0 HG22 ILE B 109 -6.872 -2.616 9.633 1.00 0.00 H new ATOM 0 HG23 ILE B 109 -5.659 -3.667 8.863 1.00 0.00 H new ATOM 0 HD11 ILE B 109 -3.072 -1.106 6.696 1.00 0.00 H new ATOM 0 HD12 ILE B 109 -4.301 -0.065 7.454 1.00 0.00 H new ATOM 0 HD13 ILE B 109 -3.646 -1.461 8.343 1.00 0.00 H new ATOM 1530 N GLN B 110 -9.219 -2.160 8.435 1.00 0.00 N ATOM 1531 CA GLN B 110 -10.292 -2.399 9.392 1.00 0.00 C ATOM 1532 C GLN B 110 -11.442 -3.152 8.736 1.00 0.00 C ATOM 1533 O GLN B 110 -12.107 -3.965 9.377 1.00 0.00 O ATOM 1534 CB GLN B 110 -10.793 -1.077 9.976 1.00 0.00 C ATOM 1535 CG GLN B 110 -9.889 -0.511 11.060 1.00 0.00 C ATOM 1536 CD GLN B 110 -10.553 -0.490 12.423 1.00 0.00 C ATOM 1537 OE1 GLN B 110 -10.897 -1.535 12.976 1.00 0.00 O ATOM 1538 NE2 GLN B 110 -10.738 0.705 12.972 1.00 0.00 N ATOM 0 H GLN B 110 -9.067 -1.178 8.206 1.00 0.00 H new ATOM 0 HA GLN B 110 -9.895 -3.011 10.201 1.00 0.00 H new ATOM 0 HB2 GLN B 110 -10.885 -0.346 9.173 1.00 0.00 H new ATOM 0 HB3 GLN B 110 -11.791 -1.226 10.388 1.00 0.00 H new ATOM 0 HG2 GLN B 110 -8.977 -1.105 11.114 1.00 0.00 H new ATOM 0 HG3 GLN B 110 -9.594 0.502 10.789 1.00 0.00 H new ATOM 0 HE21 GLN B 110 -10.437 1.545 12.478 1.00 0.00 H new ATOM 0 HE22 GLN B 110 -11.181 0.783 13.888 1.00 0.00 H new ATOM 1547 N GLU B 111 -11.667 -2.888 7.451 1.00 0.00 N ATOM 1548 CA GLU B 111 -12.733 -3.561 6.719 1.00 0.00 C ATOM 1549 C GLU B 111 -12.575 -5.067 6.842 1.00 0.00 C ATOM 1550 O GLU B 111 -13.541 -5.789 7.087 1.00 0.00 O ATOM 1551 CB GLU B 111 -12.723 -3.147 5.245 1.00 0.00 C ATOM 1552 CG GLU B 111 -14.110 -2.921 4.667 1.00 0.00 C ATOM 1553 CD GLU B 111 -14.720 -1.606 5.109 1.00 0.00 C ATOM 1554 OE1 GLU B 111 -15.394 -1.588 6.160 1.00 0.00 O ATOM 1555 OE2 GLU B 111 -14.524 -0.594 4.405 1.00 0.00 O ATOM 0 H GLU B 111 -11.130 -2.218 6.900 1.00 0.00 H new ATOM 0 HA GLU B 111 -13.690 -3.266 7.150 1.00 0.00 H new ATOM 0 HB2 GLU B 111 -12.140 -2.232 5.137 1.00 0.00 H new ATOM 0 HB3 GLU B 111 -12.217 -3.918 4.663 1.00 0.00 H new ATOM 0 HG2 GLU B 111 -14.054 -2.943 3.579 1.00 0.00 H new ATOM 0 HG3 GLU B 111 -14.763 -3.740 4.969 1.00 0.00 H new ATOM 1562 N TYR B 112 -11.342 -5.531 6.694 1.00 0.00 N ATOM 1563 CA TYR B 112 -11.046 -6.948 6.814 1.00 0.00 C ATOM 1564 C TYR B 112 -11.143 -7.368 8.272 1.00 0.00 C ATOM 1565 O TYR B 112 -11.572 -8.478 8.583 1.00 0.00 O ATOM 1566 CB TYR B 112 -9.655 -7.260 6.261 1.00 0.00 C ATOM 1567 CG TYR B 112 -9.375 -8.740 6.124 1.00 0.00 C ATOM 1568 CD1 TYR B 112 -10.297 -9.588 5.524 1.00 0.00 C ATOM 1569 CD2 TYR B 112 -8.189 -9.288 6.598 1.00 0.00 C ATOM 1570 CE1 TYR B 112 -10.045 -10.941 5.398 1.00 0.00 C ATOM 1571 CE2 TYR B 112 -7.930 -10.641 6.474 1.00 0.00 C ATOM 1572 CZ TYR B 112 -8.860 -11.462 5.875 1.00 0.00 C ATOM 1573 OH TYR B 112 -8.606 -12.809 5.751 1.00 0.00 O ATOM 0 H TYR B 112 -10.532 -4.945 6.491 1.00 0.00 H new ATOM 0 HA TYR B 112 -11.775 -7.510 6.230 1.00 0.00 H new ATOM 0 HB2 TYR B 112 -9.547 -6.787 5.285 1.00 0.00 H new ATOM 0 HB3 TYR B 112 -8.905 -6.816 6.916 1.00 0.00 H new ATOM 0 HD1 TYR B 112 -11.226 -9.184 5.150 1.00 0.00 H new ATOM 0 HD2 TYR B 112 -7.459 -8.648 7.070 1.00 0.00 H new ATOM 0 HE1 TYR B 112 -10.772 -11.587 4.929 1.00 0.00 H new ATOM 0 HE2 TYR B 112 -7.003 -11.052 6.845 1.00 0.00 H new ATOM 0 HH TYR B 112 -7.657 -12.980 5.925 1.00 0.00 H new ATOM 1583 N ASP B 113 -10.763 -6.460 9.169 1.00 0.00 N ATOM 1584 CA ASP B 113 -10.837 -6.735 10.595 1.00 0.00 C ATOM 1585 C ASP B 113 -12.283 -7.007 10.991 1.00 0.00 C ATOM 1586 O ASP B 113 -12.555 -7.789 11.902 1.00 0.00 O ATOM 1587 CB ASP B 113 -10.282 -5.556 11.397 1.00 0.00 C ATOM 1588 CG ASP B 113 -8.799 -5.346 11.166 1.00 0.00 C ATOM 1589 OD1 ASP B 113 -8.130 -6.291 10.701 1.00 0.00 O ATOM 1590 OD2 ASP B 113 -8.306 -4.234 11.452 1.00 0.00 O ATOM 0 H ASP B 113 -10.404 -5.535 8.932 1.00 0.00 H new ATOM 0 HA ASP B 113 -10.234 -7.615 10.817 1.00 0.00 H new ATOM 0 HB2 ASP B 113 -10.821 -4.649 11.124 1.00 0.00 H new ATOM 0 HB3 ASP B 113 -10.461 -5.726 12.459 1.00 0.00 H new ATOM 1595 N ASN B 114 -13.207 -6.357 10.286 1.00 0.00 N ATOM 1596 CA ASN B 114 -14.631 -6.527 10.545 1.00 0.00 C ATOM 1597 C ASN B 114 -15.161 -7.781 9.859 1.00 0.00 C ATOM 1598 O ASN B 114 -16.077 -8.434 10.360 1.00 0.00 O ATOM 1599 CB ASN B 114 -15.407 -5.300 10.064 1.00 0.00 C ATOM 1600 CG ASN B 114 -16.622 -5.012 10.923 1.00 0.00 C ATOM 1601 OD1 ASN B 114 -17.734 -5.431 10.605 1.00 0.00 O ATOM 1602 ND2 ASN B 114 -16.414 -4.290 12.018 1.00 0.00 N ATOM 0 H ASN B 114 -12.992 -5.707 9.530 1.00 0.00 H new ATOM 0 HA ASN B 114 -14.770 -6.637 11.620 1.00 0.00 H new ATOM 0 HB2 ASN B 114 -14.748 -4.432 10.069 1.00 0.00 H new ATOM 0 HB3 ASN B 114 -15.723 -5.455 9.032 1.00 0.00 H new ATOM 0 HD21 ASN B 114 -17.194 -4.062 12.634 1.00 0.00 H new ATOM 0 HD22 ASN B 114 -15.474 -3.963 12.243 1.00 0.00 H new ATOM 1609 N ILE B 115 -14.582 -8.116 8.707 1.00 0.00 N ATOM 1610 CA ILE B 115 -15.003 -9.292 7.957 1.00 0.00 C ATOM 1611 C ILE B 115 -14.489 -10.573 8.608 1.00 0.00 C ATOM 1612 O ILE B 115 -15.161 -11.603 8.591 1.00 0.00 O ATOM 1613 CB ILE B 115 -14.512 -9.230 6.497 1.00 0.00 C ATOM 1614 CG1 ILE B 115 -15.021 -7.955 5.819 1.00 0.00 C ATOM 1615 CG2 ILE B 115 -14.964 -10.460 5.727 1.00 0.00 C ATOM 1616 CD1 ILE B 115 -14.070 -7.399 4.784 1.00 0.00 C ATOM 0 H ILE B 115 -13.822 -7.589 8.276 1.00 0.00 H new ATOM 0 HA ILE B 115 -16.093 -9.301 7.964 1.00 0.00 H new ATOM 0 HB ILE B 115 -13.422 -9.211 6.500 1.00 0.00 H new ATOM 0 HG12 ILE B 115 -15.980 -8.164 5.344 1.00 0.00 H new ATOM 0 HG13 ILE B 115 -15.201 -7.196 6.580 1.00 0.00 H new ATOM 0 HG21 ILE B 115 -14.607 -10.397 4.699 1.00 0.00 H new ATOM 0 HG22 ILE B 115 -14.556 -11.354 6.198 1.00 0.00 H new ATOM 0 HG23 ILE B 115 -16.053 -10.512 5.731 1.00 0.00 H new ATOM 0 HD11 ILE B 115 -14.496 -6.497 4.346 1.00 0.00 H new ATOM 0 HD12 ILE B 115 -13.118 -7.158 5.257 1.00 0.00 H new ATOM 0 HD13 ILE B 115 -13.909 -8.141 4.002 1.00 0.00 H new