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 34 HIS :FLIP no HD1:sc= -0.296 F(o=-1.1,f=-0.3) USER MOD Set 1.2: A 35 GLN : amide:sc= 0 K(o=-0.3,f=-0.8) USER MOD Set 2.1: A 33 TYR OH : rot -30:sc= 0.391 USER MOD Set 2.2: A 70 HIS : no HD1:sc= -6.28! C(o=-5.9!,f=-19!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 HIS :FLIP no HE2:sc=-0.00927 F(o=-0.64,f=-0.0093) USER MOD Single : A 12 LYS NZ :NH3+ 152:sc= -0.249 (180deg=-1.62!) USER MOD Single : A 19 ASN : amide:sc= -0.346 K(o=-0.35,f=-2.6!) USER MOD Single : A 23 LYS NZ :NH3+ 142:sc= 0.209 (180deg=-0.224) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot -91:sc= -0.499 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl 170:sc= -2.17 (180deg=-2.47) USER MOD Single : A 47 LYS NZ :NH3+ -97:sc= -0.0254 (180deg=-0.828) USER MOD Single : A 51 ASN : amide:sc= 0.601 K(o=0.6,f=-0.041) USER MOD Single : A 54 SER OG : rot 180:sc= 0.112 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN :FLIP amide:sc= 0.709 F(o=-1.1,f=0.71) USER MOD Single : A 74 TYR OH : rot -100:sc= -0.662 USER MOD Single : A 76 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : B 104 TYR OH : rot 180:sc= 0 USER MOD Single : B 110 GLN : amide:sc= -0.127 X(o=-0.13,f=0) USER MOD Single : B 112 TYR OH : rot 97:sc= 0.0467 USER MOD Single : B 114 ASN : amide:sc= -0.0054 X(o=-0.0054,f=0) USER MOD ----------------------------------------------------------------- ATOM 32 N ARG A 3 -15.219 4.143 1.733 1.00 0.00 N ATOM 33 CA ARG A 3 -15.742 2.805 1.973 1.00 0.00 C ATOM 34 C ARG A 3 -15.542 1.914 0.751 1.00 0.00 C ATOM 35 O ARG A 3 -15.075 0.781 0.866 1.00 0.00 O ATOM 36 CB ARG A 3 -17.228 2.870 2.335 1.00 0.00 C ATOM 37 CG ARG A 3 -18.042 3.756 1.406 1.00 0.00 C ATOM 38 CD ARG A 3 -19.007 4.643 2.180 1.00 0.00 C ATOM 39 NE ARG A 3 -20.381 4.508 1.700 1.00 0.00 N ATOM 40 CZ ARG A 3 -21.398 5.235 2.156 1.00 0.00 C ATOM 41 NH1 ARG A 3 -21.201 6.146 3.103 1.00 0.00 N ATOM 42 NH2 ARG A 3 -22.617 5.052 1.666 1.00 0.00 N ATOM 0 HA ARG A 3 -15.191 2.373 2.809 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -17.642 1.862 2.317 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -17.329 3.238 3.356 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -17.370 4.378 0.814 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -18.600 3.134 0.706 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -18.966 4.386 3.238 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -18.693 5.683 2.092 1.00 0.00 H new ATOM 0 HE ARG A 3 -20.571 3.817 0.974 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -20.266 6.291 3.484 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -21.985 6.700 3.448 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -22.775 4.354 0.939 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -23.396 5.609 2.016 1.00 0.00 H new ATOM 56 N LYS A 4 -15.893 2.436 -0.419 1.00 0.00 N ATOM 57 CA LYS A 4 -15.748 1.689 -1.664 1.00 0.00 C ATOM 58 C LYS A 4 -14.283 1.388 -1.946 1.00 0.00 C ATOM 59 O LYS A 4 -13.955 0.355 -2.529 1.00 0.00 O ATOM 60 CB LYS A 4 -16.361 2.469 -2.829 1.00 0.00 C ATOM 61 CG LYS A 4 -15.746 3.843 -3.031 1.00 0.00 C ATOM 62 CD LYS A 4 -16.663 4.750 -3.836 1.00 0.00 C ATOM 63 CE LYS A 4 -16.508 4.516 -5.329 1.00 0.00 C ATOM 64 NZ LYS A 4 -15.613 5.526 -5.958 1.00 0.00 N ATOM 0 H LYS A 4 -16.280 3.373 -0.532 1.00 0.00 H new ATOM 0 HA LYS A 4 -16.279 0.743 -1.557 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -16.244 1.890 -3.745 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -17.432 2.581 -2.657 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -15.542 4.298 -2.062 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -14.789 3.743 -3.544 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -17.698 4.573 -3.545 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -16.440 5.792 -3.605 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -16.106 3.517 -5.500 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -17.487 4.551 -5.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -15.533 5.332 -6.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -16.009 6.477 -5.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -14.671 5.475 -5.521 1.00 0.00 H new ATOM 78 N VAL A 5 -13.400 2.290 -1.522 1.00 0.00 N ATOM 79 CA VAL A 5 -11.969 2.101 -1.727 1.00 0.00 C ATOM 80 C VAL A 5 -11.538 0.736 -1.208 1.00 0.00 C ATOM 81 O VAL A 5 -10.647 0.096 -1.767 1.00 0.00 O ATOM 82 CB VAL A 5 -11.148 3.197 -1.017 1.00 0.00 C ATOM 83 CG1 VAL A 5 -9.665 3.040 -1.319 1.00 0.00 C ATOM 84 CG2 VAL A 5 -11.640 4.580 -1.423 1.00 0.00 C ATOM 0 H VAL A 5 -13.650 3.152 -1.038 1.00 0.00 H new ATOM 0 HA VAL A 5 -11.780 2.165 -2.799 1.00 0.00 H new ATOM 0 HB VAL A 5 -11.287 3.087 0.059 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -9.105 3.823 -0.808 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -9.324 2.065 -0.972 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -9.502 3.119 -2.394 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -11.049 5.341 -0.912 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -11.535 4.702 -2.501 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -12.689 4.689 -1.146 1.00 0.00 H new ATOM 94 N ALA A 6 -12.196 0.291 -0.142 1.00 0.00 N ATOM 95 CA ALA A 6 -11.903 -1.006 0.450 1.00 0.00 C ATOM 96 C ALA A 6 -12.422 -2.131 -0.436 1.00 0.00 C ATOM 97 O ALA A 6 -11.759 -3.151 -0.614 1.00 0.00 O ATOM 98 CB ALA A 6 -12.507 -1.103 1.843 1.00 0.00 C ATOM 0 H ALA A 6 -12.936 0.812 0.329 1.00 0.00 H new ATOM 0 HA ALA A 6 -10.821 -1.108 0.534 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -12.279 -2.079 2.271 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -12.088 -0.321 2.477 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -13.588 -0.978 1.780 1.00 0.00 H new ATOM 104 N ARG A 7 -13.614 -1.933 -0.995 1.00 0.00 N ATOM 105 CA ARG A 7 -14.222 -2.931 -1.868 1.00 0.00 C ATOM 106 C ARG A 7 -13.437 -3.062 -3.165 1.00 0.00 C ATOM 107 O ARG A 7 -13.252 -4.164 -3.680 1.00 0.00 O ATOM 108 CB ARG A 7 -15.677 -2.563 -2.169 1.00 0.00 C ATOM 109 CG ARG A 7 -16.671 -3.161 -1.187 1.00 0.00 C ATOM 110 CD ARG A 7 -18.038 -3.355 -1.823 1.00 0.00 C ATOM 111 NE ARG A 7 -18.924 -2.220 -1.574 1.00 0.00 N ATOM 112 CZ ARG A 7 -18.975 -1.132 -2.342 1.00 0.00 C ATOM 113 NH1 ARG A 7 -18.185 -1.021 -3.404 1.00 0.00 N ATOM 114 NH2 ARG A 7 -19.817 -0.152 -2.044 1.00 0.00 N ATOM 0 H ARG A 7 -14.176 -1.093 -0.859 1.00 0.00 H new ATOM 0 HA ARG A 7 -14.202 -3.891 -1.352 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -15.778 -1.478 -2.160 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -15.927 -2.898 -3.176 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -16.297 -4.120 -0.828 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -16.762 -2.509 -0.318 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -17.921 -3.495 -2.898 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -18.494 -4.264 -1.431 1.00 0.00 H new ATOM 0 HE ARG A 7 -19.541 -2.263 -0.763 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -17.534 -1.771 -3.636 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -18.229 -0.186 -3.987 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -20.424 -0.232 -1.228 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -19.858 0.682 -2.630 1.00 0.00 H new ATOM 128 N GLU A 8 -12.970 -1.935 -3.684 1.00 0.00 N ATOM 129 CA GLU A 8 -12.196 -1.932 -4.918 1.00 0.00 C ATOM 130 C GLU A 8 -10.805 -2.502 -4.670 1.00 0.00 C ATOM 131 O GLU A 8 -10.254 -3.210 -5.512 1.00 0.00 O ATOM 132 CB GLU A 8 -12.092 -0.516 -5.484 1.00 0.00 C ATOM 133 CG GLU A 8 -13.336 -0.069 -6.236 1.00 0.00 C ATOM 134 CD GLU A 8 -13.316 -0.487 -7.693 1.00 0.00 C ATOM 135 OE1 GLU A 8 -12.212 -0.687 -8.239 1.00 0.00 O ATOM 136 OE2 GLU A 8 -14.408 -0.614 -8.289 1.00 0.00 O ATOM 0 H GLU A 8 -13.113 -1.013 -3.271 1.00 0.00 H new ATOM 0 HA GLU A 8 -12.709 -2.559 -5.647 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -11.902 0.180 -4.667 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -11.234 -0.463 -6.154 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -14.219 -0.489 -5.753 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -13.424 1.016 -6.174 1.00 0.00 H new ATOM 143 N PHE A 9 -10.249 -2.199 -3.502 1.00 0.00 N ATOM 144 CA PHE A 9 -8.930 -2.692 -3.136 1.00 0.00 C ATOM 145 C PHE A 9 -8.978 -4.196 -2.899 1.00 0.00 C ATOM 146 O PHE A 9 -8.105 -4.936 -3.348 1.00 0.00 O ATOM 147 CB PHE A 9 -8.418 -1.980 -1.883 1.00 0.00 C ATOM 148 CG PHE A 9 -7.038 -2.409 -1.469 1.00 0.00 C ATOM 149 CD1 PHE A 9 -6.035 -2.565 -2.412 1.00 0.00 C ATOM 150 CD2 PHE A 9 -6.746 -2.656 -0.137 1.00 0.00 C ATOM 151 CE1 PHE A 9 -4.766 -2.961 -2.035 1.00 0.00 C ATOM 152 CE2 PHE A 9 -5.478 -3.053 0.246 1.00 0.00 C ATOM 153 CZ PHE A 9 -4.486 -3.204 -0.703 1.00 0.00 C ATOM 0 H PHE A 9 -10.693 -1.614 -2.794 1.00 0.00 H new ATOM 0 HA PHE A 9 -8.245 -2.484 -3.958 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -8.417 -0.905 -2.061 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -9.109 -2.166 -1.061 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -6.247 -2.375 -3.454 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -7.517 -2.537 0.610 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -3.993 -3.081 -2.780 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -5.263 -3.245 1.287 1.00 0.00 H new ATOM 0 HZ PHE A 9 -3.494 -3.511 -0.405 1.00 0.00 H new ATOM 163 N ARG A 10 -10.014 -4.642 -2.194 1.00 0.00 N ATOM 164 CA ARG A 10 -10.185 -6.059 -1.902 1.00 0.00 C ATOM 165 C ARG A 10 -10.620 -6.815 -3.152 1.00 0.00 C ATOM 166 O ARG A 10 -10.116 -7.902 -3.435 1.00 0.00 O ATOM 167 CB ARG A 10 -11.210 -6.257 -0.782 1.00 0.00 C ATOM 168 CG ARG A 10 -10.758 -7.241 0.285 1.00 0.00 C ATOM 169 CD ARG A 10 -11.235 -8.653 -0.016 1.00 0.00 C ATOM 170 NE ARG A 10 -12.242 -9.106 0.939 1.00 0.00 N ATOM 171 CZ ARG A 10 -12.943 -10.229 0.802 1.00 0.00 C ATOM 172 NH1 ARG A 10 -12.750 -11.016 -0.249 1.00 0.00 N ATOM 173 NH2 ARG A 10 -13.841 -10.567 1.718 1.00 0.00 N ATOM 0 H ARG A 10 -10.747 -4.042 -1.815 1.00 0.00 H new ATOM 0 HA ARG A 10 -9.226 -6.457 -1.571 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -11.416 -5.294 -0.314 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -12.147 -6.607 -1.215 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -9.670 -7.231 0.353 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -11.141 -6.927 1.256 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -11.649 -8.689 -1.024 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -10.385 -9.335 0.003 1.00 0.00 H new ATOM 0 HE ARG A 10 -12.419 -8.527 1.760 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -12.061 -10.761 -0.957 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -13.290 -11.875 -0.349 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -13.995 -9.966 2.528 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -14.378 -11.428 1.613 1.00 0.00 H new ATOM 187 N HIS A 11 -11.553 -6.233 -3.902 1.00 0.00 N ATOM 188 CA HIS A 11 -12.040 -6.864 -5.124 1.00 0.00 C ATOM 189 C HIS A 11 -10.902 -7.047 -6.122 1.00 0.00 C ATOM 190 O HIS A 11 -10.753 -8.113 -6.718 1.00 0.00 O ATOM 191 CB HIS A 11 -13.161 -6.031 -5.750 1.00 0.00 C ATOM 192 CG HIS A 11 -13.853 -6.719 -6.886 1.00 0.00 C ATOM 193 ND1 HIS A 11 -13.636 -7.930 -7.453 1.00 0.00 N flip ATOM 194 CD2 HIS A 11 -14.909 -6.160 -7.572 1.00 0.00 C flip ATOM 195 CE1 HIS A 11 -14.555 -8.078 -8.461 1.00 0.00 C flip ATOM 196 NE2 HIS A 11 -15.312 -6.998 -8.513 1.00 0.00 N flip ATOM 0 H HIS A 11 -11.983 -5.333 -3.687 1.00 0.00 H new ATOM 0 HA HIS A 11 -12.438 -7.845 -4.865 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -13.895 -5.788 -4.982 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -12.747 -5.087 -6.105 1.00 0.00 H new ATOM 0 HD1 HIS A 11 -12.922 -8.606 -7.181 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -15.340 -5.190 -7.373 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -14.644 -8.939 -9.107 1.00 0.00 H new ATOM 205 N LYS A 12 -10.095 -6.003 -6.294 1.00 0.00 N ATOM 206 CA LYS A 12 -8.964 -6.058 -7.212 1.00 0.00 C ATOM 207 C LYS A 12 -8.006 -7.173 -6.809 1.00 0.00 C ATOM 208 O LYS A 12 -7.667 -8.041 -7.616 1.00 0.00 O ATOM 209 CB LYS A 12 -8.229 -4.716 -7.230 1.00 0.00 C ATOM 210 CG LYS A 12 -8.652 -3.803 -8.371 1.00 0.00 C ATOM 211 CD LYS A 12 -7.616 -3.775 -9.484 1.00 0.00 C ATOM 212 CE LYS A 12 -7.100 -2.368 -9.734 1.00 0.00 C ATOM 213 NZ LYS A 12 -6.783 -1.658 -8.463 1.00 0.00 N ATOM 0 H LYS A 12 -10.204 -5.112 -5.810 1.00 0.00 H new ATOM 0 HA LYS A 12 -9.342 -6.266 -8.213 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -8.402 -4.204 -6.283 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -7.157 -4.900 -7.302 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -9.608 -4.141 -8.772 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -8.805 -2.793 -7.991 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -6.783 -4.427 -9.223 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -8.055 -4.170 -10.400 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -6.206 -2.414 -10.356 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -7.847 -1.801 -10.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -6.036 -0.956 -8.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -7.636 -1.177 -8.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -6.456 -2.345 -7.754 1.00 0.00 H new ATOM 227 N VAL A 13 -7.584 -7.150 -5.548 1.00 0.00 N ATOM 228 CA VAL A 13 -6.674 -8.163 -5.029 1.00 0.00 C ATOM 229 C VAL A 13 -7.224 -9.558 -5.288 1.00 0.00 C ATOM 230 O VAL A 13 -6.477 -10.487 -5.590 1.00 0.00 O ATOM 231 CB VAL A 13 -6.428 -7.983 -3.517 1.00 0.00 C ATOM 232 CG1 VAL A 13 -5.431 -9.015 -3.009 1.00 0.00 C ATOM 233 CG2 VAL A 13 -5.943 -6.574 -3.219 1.00 0.00 C ATOM 0 H VAL A 13 -7.858 -6.441 -4.868 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.724 -8.042 -5.551 1.00 0.00 H new ATOM 0 HB VAL A 13 -7.372 -8.137 -2.995 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.271 -8.871 -1.940 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.822 -10.017 -3.186 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.485 -8.897 -3.537 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -5.775 -6.466 -2.147 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -5.011 -6.390 -3.753 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -6.695 -5.854 -3.543 1.00 0.00 H new ATOM 243 N ASP A 14 -8.539 -9.699 -5.173 1.00 0.00 N ATOM 244 CA ASP A 14 -9.187 -10.981 -5.402 1.00 0.00 C ATOM 245 C ASP A 14 -9.188 -11.331 -6.888 1.00 0.00 C ATOM 246 O ASP A 14 -9.201 -12.505 -7.257 1.00 0.00 O ATOM 247 CB ASP A 14 -10.623 -10.955 -4.872 1.00 0.00 C ATOM 248 CG ASP A 14 -11.267 -12.327 -4.878 1.00 0.00 C ATOM 249 OD1 ASP A 14 -11.270 -12.977 -5.945 1.00 0.00 O ATOM 250 OD2 ASP A 14 -11.767 -12.753 -3.815 1.00 0.00 O ATOM 0 H ASP A 14 -9.175 -8.942 -4.923 1.00 0.00 H new ATOM 0 HA ASP A 14 -8.624 -11.745 -4.866 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -10.625 -10.560 -3.856 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -11.219 -10.274 -5.480 1.00 0.00 H new ATOM 255 N PHE A 15 -9.168 -10.306 -7.737 1.00 0.00 N ATOM 256 CA PHE A 15 -9.162 -10.511 -9.181 1.00 0.00 C ATOM 257 C PHE A 15 -7.830 -11.094 -9.633 1.00 0.00 C ATOM 258 O PHE A 15 -7.768 -11.876 -10.583 1.00 0.00 O ATOM 259 CB PHE A 15 -9.427 -9.191 -9.907 1.00 0.00 C ATOM 260 CG PHE A 15 -10.009 -9.372 -11.281 1.00 0.00 C ATOM 261 CD1 PHE A 15 -9.191 -9.667 -12.360 1.00 0.00 C ATOM 262 CD2 PHE A 15 -11.372 -9.245 -11.492 1.00 0.00 C ATOM 263 CE1 PHE A 15 -9.722 -9.834 -13.625 1.00 0.00 C ATOM 264 CE2 PHE A 15 -11.910 -9.412 -12.755 1.00 0.00 C ATOM 265 CZ PHE A 15 -11.083 -9.705 -13.822 1.00 0.00 C ATOM 0 H PHE A 15 -9.156 -9.327 -7.449 1.00 0.00 H new ATOM 0 HA PHE A 15 -9.955 -11.217 -9.429 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -10.108 -8.586 -9.309 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -8.493 -8.635 -9.986 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -8.126 -9.768 -12.211 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -12.022 -9.013 -10.661 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -9.074 -10.065 -14.458 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -12.975 -9.314 -12.907 1.00 0.00 H new ATOM 0 HZ PHE A 15 -11.500 -9.833 -14.810 1.00 0.00 H new ATOM 275 N LEU A 16 -6.765 -10.695 -8.948 1.00 0.00 N ATOM 276 CA LEU A 16 -5.423 -11.161 -9.274 1.00 0.00 C ATOM 277 C LEU A 16 -5.070 -12.410 -8.475 1.00 0.00 C ATOM 278 O LEU A 16 -4.568 -13.392 -9.021 1.00 0.00 O ATOM 279 CB LEU A 16 -4.398 -10.058 -8.997 1.00 0.00 C ATOM 280 CG LEU A 16 -4.926 -8.624 -9.127 1.00 0.00 C ATOM 281 CD1 LEU A 16 -4.103 -7.674 -8.272 1.00 0.00 C ATOM 282 CD2 LEU A 16 -4.910 -8.183 -10.584 1.00 0.00 C ATOM 0 H LEU A 16 -6.805 -10.048 -8.161 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.401 -11.413 -10.334 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.007 -10.193 -7.989 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.560 -10.183 -9.683 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.956 -8.601 -8.771 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.492 -6.661 -8.376 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.163 -7.980 -7.228 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.063 -7.699 -8.598 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.288 -7.163 -10.660 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.889 -8.221 -10.965 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.542 -8.848 -11.173 1.00 0.00 H new ATOM 294 N ILE A 17 -5.338 -12.359 -7.179 1.00 0.00 N ATOM 295 CA ILE A 17 -5.057 -13.475 -6.286 1.00 0.00 C ATOM 296 C ILE A 17 -6.163 -14.518 -6.355 1.00 0.00 C ATOM 297 O ILE A 17 -5.941 -15.648 -6.789 1.00 0.00 O ATOM 298 CB ILE A 17 -4.871 -12.981 -4.828 1.00 0.00 C ATOM 299 CG1 ILE A 17 -3.531 -12.270 -4.683 1.00 0.00 C ATOM 300 CG2 ILE A 17 -4.945 -14.127 -3.828 1.00 0.00 C ATOM 301 CD1 ILE A 17 -3.356 -11.090 -5.614 1.00 0.00 C ATOM 0 H ILE A 17 -5.753 -11.549 -6.718 1.00 0.00 H new ATOM 0 HA ILE A 17 -4.127 -13.939 -6.614 1.00 0.00 H new ATOM 0 HB ILE A 17 -5.685 -12.289 -4.612 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.423 -11.927 -3.654 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -2.730 -12.986 -4.866 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -4.810 -13.738 -2.819 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -5.918 -14.613 -3.903 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -4.160 -14.851 -4.046 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.378 -10.638 -5.449 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -3.430 -11.428 -6.648 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -4.134 -10.352 -5.417 1.00 0.00 H new ATOM 313 N GLU A 18 -7.353 -14.133 -5.923 1.00 0.00 N ATOM 314 CA GLU A 18 -8.498 -15.026 -5.927 1.00 0.00 C ATOM 315 C GLU A 18 -8.280 -16.233 -5.024 1.00 0.00 C ATOM 316 O GLU A 18 -9.120 -17.129 -4.939 1.00 0.00 O ATOM 317 CB GLU A 18 -8.819 -15.474 -7.347 1.00 0.00 C ATOM 318 CG GLU A 18 -10.004 -16.404 -7.403 1.00 0.00 C ATOM 319 CD GLU A 18 -10.586 -16.537 -8.797 1.00 0.00 C ATOM 320 OE1 GLU A 18 -9.805 -16.517 -9.771 1.00 0.00 O ATOM 321 OE2 GLU A 18 -11.824 -16.662 -8.914 1.00 0.00 O ATOM 0 H GLU A 18 -7.551 -13.200 -5.562 1.00 0.00 H new ATOM 0 HA GLU A 18 -9.348 -14.470 -5.530 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -9.018 -14.598 -7.965 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -7.949 -15.973 -7.773 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -9.704 -17.389 -7.045 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -10.777 -16.041 -6.726 1.00 0.00 H new ATOM 328 N ASN A 19 -7.153 -16.234 -4.352 1.00 0.00 N ATOM 329 CA ASN A 19 -6.796 -17.310 -3.438 1.00 0.00 C ATOM 330 C ASN A 19 -6.907 -16.840 -1.990 1.00 0.00 C ATOM 331 O ASN A 19 -6.851 -15.643 -1.710 1.00 0.00 O ATOM 332 CB ASN A 19 -5.375 -17.804 -3.723 1.00 0.00 C ATOM 333 CG ASN A 19 -5.363 -19.059 -4.574 1.00 0.00 C ATOM 334 OD1 ASN A 19 -6.369 -19.758 -4.685 1.00 0.00 O ATOM 335 ND2 ASN A 19 -4.218 -19.351 -5.182 1.00 0.00 N ATOM 0 H ASN A 19 -6.454 -15.494 -4.418 1.00 0.00 H new ATOM 0 HA ASN A 19 -7.491 -18.135 -3.592 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -4.814 -17.019 -4.230 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -4.865 -18.002 -2.780 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -4.150 -20.183 -5.768 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -3.408 -18.743 -5.062 1.00 0.00 H new ATOM 342 N ASP A 20 -7.067 -17.790 -1.075 1.00 0.00 N ATOM 343 CA ASP A 20 -7.192 -17.467 0.342 1.00 0.00 C ATOM 344 C ASP A 20 -5.823 -17.380 1.009 1.00 0.00 C ATOM 345 O ASP A 20 -5.569 -16.478 1.807 1.00 0.00 O ATOM 346 CB ASP A 20 -8.051 -18.516 1.051 1.00 0.00 C ATOM 347 CG ASP A 20 -8.770 -17.952 2.260 1.00 0.00 C ATOM 348 OD1 ASP A 20 -8.092 -17.644 3.264 1.00 0.00 O ATOM 349 OD2 ASP A 20 -10.012 -17.819 2.206 1.00 0.00 O ATOM 0 H ASP A 20 -7.113 -18.786 -1.288 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.675 -16.493 0.423 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -8.783 -18.916 0.350 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -7.420 -19.348 1.362 1.00 0.00 H new ATOM 354 N ALA A 21 -4.946 -18.322 0.681 1.00 0.00 N ATOM 355 CA ALA A 21 -3.605 -18.347 1.254 1.00 0.00 C ATOM 356 C ALA A 21 -2.839 -17.076 0.917 1.00 0.00 C ATOM 357 O ALA A 21 -2.183 -16.488 1.777 1.00 0.00 O ATOM 358 CB ALA A 21 -2.845 -19.573 0.769 1.00 0.00 C ATOM 0 H ALA A 21 -5.139 -19.077 0.023 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.702 -18.401 2.338 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.846 -19.578 1.205 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.378 -20.475 1.072 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.766 -19.546 -0.318 1.00 0.00 H new ATOM 364 N GLU A 22 -2.931 -16.655 -0.337 1.00 0.00 N ATOM 365 CA GLU A 22 -2.248 -15.447 -0.784 1.00 0.00 C ATOM 366 C GLU A 22 -2.857 -14.213 -0.131 1.00 0.00 C ATOM 367 O GLU A 22 -2.140 -13.340 0.356 1.00 0.00 O ATOM 368 CB GLU A 22 -2.315 -15.329 -2.308 1.00 0.00 C ATOM 369 CG GLU A 22 -1.158 -16.007 -3.022 1.00 0.00 C ATOM 370 CD GLU A 22 -1.604 -16.778 -4.249 1.00 0.00 C ATOM 371 OE1 GLU A 22 -2.360 -16.212 -5.065 1.00 0.00 O ATOM 372 OE2 GLU A 22 -1.196 -17.950 -4.395 1.00 0.00 O ATOM 0 H GLU A 22 -3.470 -17.130 -1.061 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.202 -15.514 -0.485 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.251 -15.764 -2.657 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.332 -14.274 -2.582 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -0.426 -15.255 -3.316 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -0.658 -16.686 -2.332 1.00 0.00 H new ATOM 379 N LYS A 23 -4.185 -14.152 -0.112 1.00 0.00 N ATOM 380 CA LYS A 23 -4.883 -13.028 0.497 1.00 0.00 C ATOM 381 C LYS A 23 -4.628 -13.003 1.995 1.00 0.00 C ATOM 382 O LYS A 23 -4.546 -11.935 2.600 1.00 0.00 O ATOM 383 CB LYS A 23 -6.386 -13.112 0.218 1.00 0.00 C ATOM 384 CG LYS A 23 -7.050 -11.754 0.053 1.00 0.00 C ATOM 385 CD LYS A 23 -8.564 -11.876 0.017 1.00 0.00 C ATOM 386 CE LYS A 23 -9.039 -12.564 -1.255 1.00 0.00 C ATOM 387 NZ LYS A 23 -10.318 -13.295 -1.045 1.00 0.00 N ATOM 0 H LYS A 23 -4.796 -14.865 -0.510 1.00 0.00 H new ATOM 0 HA LYS A 23 -4.502 -12.106 0.058 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -6.547 -13.699 -0.687 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -6.870 -13.647 1.035 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -6.756 -11.102 0.875 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.700 -11.286 -0.867 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -8.905 -12.439 0.886 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -9.012 -10.884 0.084 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.170 -11.822 -2.042 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -8.274 -13.261 -1.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -10.918 -13.194 -1.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -10.119 -14.302 -0.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -10.812 -12.900 -0.219 1.00 0.00 H new ATOM 401 N ASP A 24 -4.481 -14.184 2.584 1.00 0.00 N ATOM 402 CA ASP A 24 -4.211 -14.286 4.009 1.00 0.00 C ATOM 403 C ASP A 24 -2.877 -13.622 4.327 1.00 0.00 C ATOM 404 O ASP A 24 -2.776 -12.816 5.253 1.00 0.00 O ATOM 405 CB ASP A 24 -4.188 -15.754 4.446 1.00 0.00 C ATOM 406 CG ASP A 24 -5.448 -16.154 5.190 1.00 0.00 C ATOM 407 OD1 ASP A 24 -6.471 -15.453 5.045 1.00 0.00 O ATOM 408 OD2 ASP A 24 -5.410 -17.169 5.916 1.00 0.00 O ATOM 0 H ASP A 24 -4.544 -15.079 2.098 1.00 0.00 H new ATOM 0 HA ASP A 24 -5.004 -13.777 4.556 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.070 -16.390 3.569 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.322 -15.927 5.084 1.00 0.00 H new ATOM 413 N TYR A 25 -1.859 -13.960 3.542 1.00 0.00 N ATOM 414 CA TYR A 25 -0.531 -13.391 3.726 1.00 0.00 C ATOM 415 C TYR A 25 -0.533 -11.907 3.400 1.00 0.00 C ATOM 416 O TYR A 25 -0.056 -11.094 4.192 1.00 0.00 O ATOM 417 CB TYR A 25 0.496 -14.125 2.863 1.00 0.00 C ATOM 418 CG TYR A 25 1.916 -13.652 3.075 1.00 0.00 C ATOM 419 CD1 TYR A 25 2.613 -13.984 4.228 1.00 0.00 C ATOM 420 CD2 TYR A 25 2.556 -12.875 2.119 1.00 0.00 C ATOM 421 CE1 TYR A 25 3.912 -13.552 4.425 1.00 0.00 C ATOM 422 CE2 TYR A 25 3.854 -12.440 2.306 1.00 0.00 C ATOM 423 CZ TYR A 25 4.527 -12.781 3.460 1.00 0.00 C ATOM 424 OH TYR A 25 5.820 -12.350 3.652 1.00 0.00 O ATOM 0 H TYR A 25 -1.930 -14.626 2.772 1.00 0.00 H new ATOM 0 HA TYR A 25 -0.252 -13.514 4.772 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.442 -15.192 3.078 1.00 0.00 H new ATOM 0 HB3 TYR A 25 0.233 -13.998 1.813 1.00 0.00 H new ATOM 0 HD1 TYR A 25 2.134 -14.589 4.983 1.00 0.00 H new ATOM 0 HD2 TYR A 25 2.031 -12.606 1.214 1.00 0.00 H new ATOM 0 HE1 TYR A 25 4.442 -13.816 5.328 1.00 0.00 H new ATOM 0 HE2 TYR A 25 4.339 -11.836 1.553 1.00 0.00 H new ATOM 0 HH TYR A 25 6.106 -11.819 2.880 1.00 0.00 H new ATOM 434 N LEU A 26 -1.088 -11.542 2.246 1.00 0.00 N ATOM 435 CA LEU A 26 -1.154 -10.137 1.871 1.00 0.00 C ATOM 436 C LEU A 26 -1.895 -9.385 2.956 1.00 0.00 C ATOM 437 O LEU A 26 -1.504 -8.284 3.348 1.00 0.00 O ATOM 438 CB LEU A 26 -1.847 -9.952 0.519 1.00 0.00 C ATOM 439 CG LEU A 26 -1.985 -8.496 0.060 1.00 0.00 C ATOM 440 CD1 LEU A 26 -1.151 -8.244 -1.188 1.00 0.00 C ATOM 441 CD2 LEU A 26 -3.445 -8.148 -0.195 1.00 0.00 C ATOM 0 H LEU A 26 -1.491 -12.188 1.568 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.142 -9.745 1.768 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.290 -10.505 -0.237 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.841 -10.397 0.572 1.00 0.00 H new ATOM 0 HG LEU A 26 -1.613 -7.852 0.857 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.263 -7.205 -1.497 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.102 -8.447 -0.972 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.490 -8.900 -1.990 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.520 -7.110 -0.520 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.845 -8.801 -0.971 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.017 -8.283 0.723 1.00 0.00 H new ATOM 453 N TYR A 27 -2.940 -10.015 3.481 1.00 0.00 N ATOM 454 CA TYR A 27 -3.696 -9.425 4.571 1.00 0.00 C ATOM 455 C TYR A 27 -2.769 -9.261 5.769 1.00 0.00 C ATOM 456 O TYR A 27 -2.875 -8.298 6.527 1.00 0.00 O ATOM 457 CB TYR A 27 -4.893 -10.303 4.946 1.00 0.00 C ATOM 458 CG TYR A 27 -6.180 -9.895 4.267 1.00 0.00 C ATOM 459 CD1 TYR A 27 -6.635 -8.584 4.329 1.00 0.00 C ATOM 460 CD2 TYR A 27 -6.941 -10.821 3.566 1.00 0.00 C ATOM 461 CE1 TYR A 27 -7.812 -8.207 3.710 1.00 0.00 C ATOM 462 CE2 TYR A 27 -8.120 -10.451 2.945 1.00 0.00 C ATOM 463 CZ TYR A 27 -8.550 -9.144 3.019 1.00 0.00 C ATOM 464 OH TYR A 27 -9.722 -8.773 2.403 1.00 0.00 O ATOM 0 H TYR A 27 -3.278 -10.926 3.171 1.00 0.00 H new ATOM 0 HA TYR A 27 -4.082 -8.455 4.259 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -4.668 -11.338 4.688 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -5.035 -10.267 6.026 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -6.060 -7.847 4.870 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -6.607 -11.846 3.505 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -8.152 -7.183 3.767 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -8.701 -11.183 2.404 1.00 0.00 H new ATOM 0 HH TYR A 27 -10.471 -8.896 3.023 1.00 0.00 H new ATOM 474 N ASP A 28 -1.838 -10.209 5.915 1.00 0.00 N ATOM 475 CA ASP A 28 -0.869 -10.165 6.997 1.00 0.00 C ATOM 476 C ASP A 28 0.156 -9.063 6.744 1.00 0.00 C ATOM 477 O ASP A 28 0.659 -8.444 7.680 1.00 0.00 O ATOM 478 CB ASP A 28 -0.166 -11.516 7.141 1.00 0.00 C ATOM 479 CG ASP A 28 -0.778 -12.374 8.230 1.00 0.00 C ATOM 480 OD1 ASP A 28 -0.639 -12.015 9.417 1.00 0.00 O ATOM 481 OD2 ASP A 28 -1.397 -13.405 7.894 1.00 0.00 O ATOM 0 H ASP A 28 -1.741 -11.013 5.294 1.00 0.00 H new ATOM 0 HA ASP A 28 -1.397 -9.947 7.925 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -0.214 -12.050 6.192 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.889 -11.352 7.362 1.00 0.00 H new ATOM 486 N VAL A 29 0.459 -8.818 5.467 1.00 0.00 N ATOM 487 CA VAL A 29 1.419 -7.784 5.102 1.00 0.00 C ATOM 488 C VAL A 29 0.871 -6.401 5.426 1.00 0.00 C ATOM 489 O VAL A 29 1.506 -5.621 6.136 1.00 0.00 O ATOM 490 CB VAL A 29 1.779 -7.847 3.604 1.00 0.00 C ATOM 491 CG1 VAL A 29 2.830 -6.802 3.258 1.00 0.00 C ATOM 492 CG2 VAL A 29 2.260 -9.240 3.227 1.00 0.00 C ATOM 0 H VAL A 29 0.055 -9.320 4.676 1.00 0.00 H new ATOM 0 HA VAL A 29 2.321 -7.966 5.686 1.00 0.00 H new ATOM 0 HB VAL A 29 0.880 -7.628 3.027 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.069 -6.864 2.196 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.444 -5.808 3.485 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.731 -6.984 3.844 1.00 0.00 H new ATOM 0 HG21 VAL A 29 2.509 -9.264 2.166 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.144 -9.491 3.813 1.00 0.00 H new ATOM 0 HG23 VAL A 29 1.472 -9.965 3.431 1.00 0.00 H new ATOM 502 N LEU A 30 -0.317 -6.103 4.908 1.00 0.00 N ATOM 503 CA LEU A 30 -0.951 -4.815 5.152 1.00 0.00 C ATOM 504 C LEU A 30 -1.152 -4.599 6.647 1.00 0.00 C ATOM 505 O LEU A 30 -0.989 -3.489 7.154 1.00 0.00 O ATOM 506 CB LEU A 30 -2.294 -4.734 4.424 1.00 0.00 C ATOM 507 CG LEU A 30 -2.198 -4.599 2.903 1.00 0.00 C ATOM 508 CD1 LEU A 30 -3.494 -5.048 2.245 1.00 0.00 C ATOM 509 CD2 LEU A 30 -1.874 -3.163 2.518 1.00 0.00 C ATOM 0 H LEU A 30 -0.858 -6.736 4.318 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.298 -4.031 4.768 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.872 -5.628 4.659 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.851 -3.883 4.815 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.392 -5.242 2.549 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.408 -4.945 1.163 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.687 -6.091 2.496 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.317 -4.430 2.604 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.809 -3.083 1.433 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.660 -2.502 2.884 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.921 -2.874 2.961 1.00 0.00 H new ATOM 521 N ARG A 31 -1.500 -5.673 7.348 1.00 0.00 N ATOM 522 CA ARG A 31 -1.712 -5.610 8.788 1.00 0.00 C ATOM 523 C ARG A 31 -0.443 -5.148 9.493 1.00 0.00 C ATOM 524 O ARG A 31 -0.488 -4.299 10.383 1.00 0.00 O ATOM 525 CB ARG A 31 -2.150 -6.977 9.324 1.00 0.00 C ATOM 526 CG ARG A 31 -3.582 -6.998 9.834 1.00 0.00 C ATOM 527 CD ARG A 31 -4.289 -8.291 9.458 1.00 0.00 C ATOM 528 NE ARG A 31 -3.881 -9.405 10.309 1.00 0.00 N ATOM 529 CZ ARG A 31 -4.368 -9.626 11.528 1.00 0.00 C ATOM 530 NH1 ARG A 31 -5.276 -8.806 12.047 1.00 0.00 N ATOM 531 NH2 ARG A 31 -3.946 -10.666 12.233 1.00 0.00 N ATOM 0 H ARG A 31 -1.641 -6.598 6.941 1.00 0.00 H new ATOM 0 HA ARG A 31 -2.503 -4.888 8.989 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -2.043 -7.720 8.533 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -1.481 -7.273 10.132 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -3.585 -6.882 10.918 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -4.129 -6.150 9.422 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -5.367 -8.151 9.537 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -4.074 -8.532 8.417 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.181 -10.053 9.948 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -5.603 -8.002 11.511 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -5.646 -8.980 12.982 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -3.247 -11.298 11.842 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -4.320 -10.834 13.167 1.00 0.00 H new ATOM 545 N MET A 32 0.692 -5.705 9.082 1.00 0.00 N ATOM 546 CA MET A 32 1.973 -5.338 9.667 1.00 0.00 C ATOM 547 C MET A 32 2.364 -3.931 9.235 1.00 0.00 C ATOM 548 O MET A 32 2.813 -3.121 10.045 1.00 0.00 O ATOM 549 CB MET A 32 3.057 -6.338 9.251 1.00 0.00 C ATOM 550 CG MET A 32 3.685 -7.074 10.421 1.00 0.00 C ATOM 551 SD MET A 32 4.479 -5.961 11.597 1.00 0.00 S ATOM 552 CE MET A 32 6.206 -6.250 11.221 1.00 0.00 C ATOM 0 H MET A 32 0.749 -6.411 8.348 1.00 0.00 H new ATOM 0 HA MET A 32 1.878 -5.360 10.753 1.00 0.00 H new ATOM 0 HB2 MET A 32 2.624 -7.066 8.565 1.00 0.00 H new ATOM 0 HB3 MET A 32 3.837 -5.809 8.704 1.00 0.00 H new ATOM 0 HG2 MET A 32 2.918 -7.652 10.935 1.00 0.00 H new ATOM 0 HG3 MET A 32 4.421 -7.784 10.045 1.00 0.00 H new ATOM 0 HE1 MET A 32 6.828 -5.631 11.868 1.00 0.00 H new ATOM 0 HE2 MET A 32 6.443 -7.301 11.386 1.00 0.00 H new ATOM 0 HE3 MET A 32 6.399 -5.994 10.179 1.00 0.00 H new ATOM 562 N TYR A 33 2.181 -3.645 7.948 1.00 0.00 N ATOM 563 CA TYR A 33 2.505 -2.335 7.398 1.00 0.00 C ATOM 564 C TYR A 33 1.759 -1.234 8.148 1.00 0.00 C ATOM 565 O TYR A 33 2.210 -0.091 8.196 1.00 0.00 O ATOM 566 CB TYR A 33 2.151 -2.288 5.909 1.00 0.00 C ATOM 567 CG TYR A 33 2.330 -0.924 5.276 1.00 0.00 C ATOM 568 CD1 TYR A 33 3.408 -0.115 5.614 1.00 0.00 C ATOM 569 CD2 TYR A 33 1.420 -0.448 4.342 1.00 0.00 C ATOM 570 CE1 TYR A 33 3.573 1.130 5.037 1.00 0.00 C ATOM 571 CE2 TYR A 33 1.578 0.797 3.761 1.00 0.00 C ATOM 572 CZ TYR A 33 2.656 1.581 4.111 1.00 0.00 C ATOM 573 OH TYR A 33 2.817 2.821 3.536 1.00 0.00 O ATOM 0 H TYR A 33 1.809 -4.306 7.266 1.00 0.00 H new ATOM 0 HA TYR A 33 3.576 -2.168 7.516 1.00 0.00 H new ATOM 0 HB2 TYR A 33 2.771 -3.009 5.376 1.00 0.00 H new ATOM 0 HB3 TYR A 33 1.115 -2.603 5.782 1.00 0.00 H new ATOM 0 HD1 TYR A 33 4.128 -0.465 6.339 1.00 0.00 H new ATOM 0 HD2 TYR A 33 0.575 -1.060 4.064 1.00 0.00 H new ATOM 0 HE1 TYR A 33 4.416 1.747 5.310 1.00 0.00 H new ATOM 0 HE2 TYR A 33 0.860 1.153 3.037 1.00 0.00 H new ATOM 0 HH TYR A 33 3.272 3.417 4.167 1.00 0.00 H new ATOM 583 N HIS A 34 0.619 -1.585 8.732 1.00 0.00 N ATOM 584 CA HIS A 34 -0.183 -0.622 9.478 1.00 0.00 C ATOM 585 C HIS A 34 0.453 -0.304 10.829 1.00 0.00 C ATOM 586 O HIS A 34 0.492 0.852 11.251 1.00 0.00 O ATOM 587 CB HIS A 34 -1.598 -1.162 9.687 1.00 0.00 C ATOM 588 CG HIS A 34 -2.521 -0.184 10.345 1.00 0.00 C ATOM 589 ND1 HIS A 34 -3.392 0.707 9.815 1.00 0.00 N flip ATOM 590 CD2 HIS A 34 -2.617 -0.043 11.713 1.00 0.00 C flip ATOM 591 CE1 HIS A 34 -3.993 1.361 10.862 1.00 0.00 C flip ATOM 592 NE2 HIS A 34 -3.508 0.891 11.996 1.00 0.00 N flip ATOM 0 H HIS A 34 0.230 -2.527 8.704 1.00 0.00 H new ATOM 0 HA HIS A 34 -0.230 0.298 8.895 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -2.015 -1.449 8.722 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -1.547 -2.066 10.294 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -2.052 -0.608 12.440 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -4.741 2.135 10.772 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -3.775 1.197 12.932 1.00 0.00 H new ATOM 601 N GLN A 35 0.941 -1.339 11.507 1.00 0.00 N ATOM 602 CA GLN A 35 1.565 -1.170 12.816 1.00 0.00 C ATOM 603 C GLN A 35 2.991 -0.641 12.700 1.00 0.00 C ATOM 604 O GLN A 35 3.305 0.443 13.193 1.00 0.00 O ATOM 605 CB GLN A 35 1.563 -2.500 13.575 1.00 0.00 C ATOM 606 CG GLN A 35 0.465 -2.601 14.621 1.00 0.00 C ATOM 607 CD GLN A 35 -0.669 -3.512 14.193 1.00 0.00 C ATOM 608 OE1 GLN A 35 -1.674 -3.059 13.646 1.00 0.00 O ATOM 609 NE2 GLN A 35 -0.511 -4.808 14.438 1.00 0.00 N ATOM 0 H GLN A 35 0.917 -2.302 11.172 1.00 0.00 H new ATOM 0 HA GLN A 35 0.980 -0.433 13.367 1.00 0.00 H new ATOM 0 HB2 GLN A 35 1.450 -3.316 12.861 1.00 0.00 H new ATOM 0 HB3 GLN A 35 2.530 -2.633 14.061 1.00 0.00 H new ATOM 0 HG2 GLN A 35 0.890 -2.971 15.554 1.00 0.00 H new ATOM 0 HG3 GLN A 35 0.069 -1.606 14.824 1.00 0.00 H new ATOM 0 HE21 GLN A 35 0.339 -5.141 14.894 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -1.239 -5.470 14.170 1.00 0.00 H new ATOM 618 N THR A 36 3.851 -1.420 12.059 1.00 0.00 N ATOM 619 CA THR A 36 5.252 -1.042 11.889 1.00 0.00 C ATOM 620 C THR A 36 5.398 0.188 10.997 1.00 0.00 C ATOM 621 O THR A 36 6.374 0.928 11.106 1.00 0.00 O ATOM 622 CB THR A 36 6.051 -2.208 11.304 1.00 0.00 C ATOM 623 OG1 THR A 36 7.399 -1.830 11.085 1.00 0.00 O ATOM 624 CG2 THR A 36 5.497 -2.718 9.991 1.00 0.00 C ATOM 0 H THR A 36 3.605 -2.320 11.646 1.00 0.00 H new ATOM 0 HA THR A 36 5.647 -0.793 12.874 1.00 0.00 H new ATOM 0 HB THR A 36 5.978 -3.007 12.042 1.00 0.00 H new ATOM 0 HG1 THR A 36 7.895 -2.589 10.712 1.00 0.00 H new ATOM 0 HG21 THR A 36 6.112 -3.544 9.633 1.00 0.00 H new ATOM 0 HG22 THR A 36 4.474 -3.064 10.138 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.506 -1.914 9.255 1.00 0.00 H new ATOM 632 N MET A 37 4.430 0.400 10.111 1.00 0.00 N ATOM 633 CA MET A 37 4.468 1.541 9.204 1.00 0.00 C ATOM 634 C MET A 37 5.705 1.482 8.312 1.00 0.00 C ATOM 635 O MET A 37 6.241 2.513 7.906 1.00 0.00 O ATOM 636 CB MET A 37 4.454 2.851 9.995 1.00 0.00 C ATOM 637 CG MET A 37 3.068 3.262 10.468 1.00 0.00 C ATOM 638 SD MET A 37 2.050 3.929 9.136 1.00 0.00 S ATOM 639 CE MET A 37 0.517 3.044 9.408 1.00 0.00 C ATOM 0 H MET A 37 3.613 -0.201 10.002 1.00 0.00 H new ATOM 0 HA MET A 37 3.582 1.501 8.570 1.00 0.00 H new ATOM 0 HB2 MET A 37 5.109 2.750 10.860 1.00 0.00 H new ATOM 0 HB3 MET A 37 4.867 3.645 9.373 1.00 0.00 H new ATOM 0 HG2 MET A 37 2.567 2.399 10.906 1.00 0.00 H new ATOM 0 HG3 MET A 37 3.164 4.009 11.256 1.00 0.00 H new ATOM 0 HE1 MET A 37 -0.266 3.471 8.781 1.00 0.00 H new ATOM 0 HE2 MET A 37 0.653 1.993 9.153 1.00 0.00 H new ATOM 0 HE3 MET A 37 0.229 3.128 10.456 1.00 0.00 H new ATOM 649 N ASP A 38 6.152 0.266 8.011 1.00 0.00 N ATOM 650 CA ASP A 38 7.324 0.065 7.168 1.00 0.00 C ATOM 651 C ASP A 38 6.914 -0.258 5.736 1.00 0.00 C ATOM 652 O ASP A 38 6.345 -1.314 5.465 1.00 0.00 O ATOM 653 CB ASP A 38 8.196 -1.059 7.729 1.00 0.00 C ATOM 654 CG ASP A 38 9.394 -0.534 8.497 1.00 0.00 C ATOM 655 OD1 ASP A 38 9.366 0.648 8.902 1.00 0.00 O ATOM 656 OD2 ASP A 38 10.356 -1.303 8.694 1.00 0.00 O ATOM 0 H ASP A 38 5.718 -0.597 8.340 1.00 0.00 H new ATOM 0 HA ASP A 38 7.899 0.991 7.162 1.00 0.00 H new ATOM 0 HB2 ASP A 38 7.595 -1.688 8.385 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.541 -1.690 6.910 1.00 0.00 H new ATOM 661 N VAL A 39 7.209 0.660 4.822 1.00 0.00 N ATOM 662 CA VAL A 39 6.874 0.476 3.417 1.00 0.00 C ATOM 663 C VAL A 39 7.848 -0.485 2.744 1.00 0.00 C ATOM 664 O VAL A 39 7.512 -1.133 1.753 1.00 0.00 O ATOM 665 CB VAL A 39 6.884 1.815 2.655 1.00 0.00 C ATOM 666 CG1 VAL A 39 6.330 1.637 1.249 1.00 0.00 C ATOM 667 CG2 VAL A 39 6.096 2.871 3.415 1.00 0.00 C ATOM 0 H VAL A 39 7.680 1.540 5.031 1.00 0.00 H new ATOM 0 HA VAL A 39 5.869 0.056 3.384 1.00 0.00 H new ATOM 0 HB VAL A 39 7.917 2.154 2.573 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.346 2.594 0.728 1.00 0.00 H new ATOM 0 HG12 VAL A 39 6.942 0.918 0.705 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.305 1.272 1.306 1.00 0.00 H new ATOM 0 HG21 VAL A 39 6.115 3.809 2.860 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.064 2.540 3.533 1.00 0.00 H new ATOM 0 HG23 VAL A 39 6.543 3.022 4.398 1.00 0.00 H new ATOM 677 N ALA A 40 9.055 -0.580 3.293 1.00 0.00 N ATOM 678 CA ALA A 40 10.071 -1.466 2.743 1.00 0.00 C ATOM 679 C ALA A 40 9.729 -2.917 3.041 1.00 0.00 C ATOM 680 O ALA A 40 10.135 -3.823 2.313 1.00 0.00 O ATOM 681 CB ALA A 40 11.441 -1.116 3.305 1.00 0.00 C ATOM 0 H ALA A 40 9.351 -0.055 4.116 1.00 0.00 H new ATOM 0 HA ALA A 40 10.097 -1.333 1.661 1.00 0.00 H new ATOM 0 HB1 ALA A 40 12.189 -1.787 2.884 1.00 0.00 H new ATOM 0 HB2 ALA A 40 11.689 -0.087 3.044 1.00 0.00 H new ATOM 0 HB3 ALA A 40 11.427 -1.222 4.390 1.00 0.00 H new ATOM 687 N VAL A 41 8.979 -3.130 4.115 1.00 0.00 N ATOM 688 CA VAL A 41 8.582 -4.470 4.505 1.00 0.00 C ATOM 689 C VAL A 41 7.417 -4.964 3.656 1.00 0.00 C ATOM 690 O VAL A 41 7.413 -6.104 3.194 1.00 0.00 O ATOM 691 CB VAL A 41 8.195 -4.534 5.995 1.00 0.00 C ATOM 692 CG1 VAL A 41 7.809 -5.952 6.392 1.00 0.00 C ATOM 693 CG2 VAL A 41 9.335 -4.024 6.862 1.00 0.00 C ATOM 0 H VAL A 41 8.636 -2.391 4.728 1.00 0.00 H new ATOM 0 HA VAL A 41 9.443 -5.117 4.341 1.00 0.00 H new ATOM 0 HB VAL A 41 7.329 -3.891 6.153 1.00 0.00 H new ATOM 0 HG11 VAL A 41 7.540 -5.974 7.448 1.00 0.00 H new ATOM 0 HG12 VAL A 41 6.958 -6.279 5.794 1.00 0.00 H new ATOM 0 HG13 VAL A 41 8.652 -6.621 6.219 1.00 0.00 H new ATOM 0 HG21 VAL A 41 9.045 -4.076 7.912 1.00 0.00 H new ATOM 0 HG22 VAL A 41 10.220 -4.640 6.699 1.00 0.00 H new ATOM 0 HG23 VAL A 41 9.559 -2.990 6.598 1.00 0.00 H new ATOM 703 N LEU A 42 6.428 -4.099 3.450 1.00 0.00 N ATOM 704 CA LEU A 42 5.265 -4.458 2.652 1.00 0.00 C ATOM 705 C LEU A 42 5.671 -4.718 1.203 1.00 0.00 C ATOM 706 O LEU A 42 5.128 -5.607 0.548 1.00 0.00 O ATOM 707 CB LEU A 42 4.194 -3.362 2.731 1.00 0.00 C ATOM 708 CG LEU A 42 4.328 -2.224 1.715 1.00 0.00 C ATOM 709 CD1 LEU A 42 3.532 -2.536 0.457 1.00 0.00 C ATOM 710 CD2 LEU A 42 3.863 -0.910 2.325 1.00 0.00 C ATOM 0 H LEU A 42 6.410 -3.150 3.823 1.00 0.00 H new ATOM 0 HA LEU A 42 4.839 -5.376 3.057 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.216 -3.826 2.601 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.213 -2.933 3.733 1.00 0.00 H new ATOM 0 HG LEU A 42 5.379 -2.127 1.443 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.639 -1.717 -0.254 1.00 0.00 H new ATOM 0 HD12 LEU A 42 3.906 -3.456 0.009 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.480 -2.659 0.713 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.965 -0.112 1.590 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.818 -0.997 2.624 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.472 -0.679 3.199 1.00 0.00 H new ATOM 722 N VAL A 43 6.637 -3.945 0.713 1.00 0.00 N ATOM 723 CA VAL A 43 7.118 -4.110 -0.652 1.00 0.00 C ATOM 724 C VAL A 43 7.753 -5.485 -0.831 1.00 0.00 C ATOM 725 O VAL A 43 7.492 -6.178 -1.817 1.00 0.00 O ATOM 726 CB VAL A 43 8.144 -3.020 -1.032 1.00 0.00 C ATOM 727 CG1 VAL A 43 8.665 -3.237 -2.446 1.00 0.00 C ATOM 728 CG2 VAL A 43 7.522 -1.637 -0.897 1.00 0.00 C ATOM 0 H VAL A 43 7.099 -3.203 1.239 1.00 0.00 H new ATOM 0 HA VAL A 43 6.255 -4.015 -1.311 1.00 0.00 H new ATOM 0 HB VAL A 43 8.988 -3.089 -0.346 1.00 0.00 H new ATOM 0 HG11 VAL A 43 9.386 -2.457 -2.692 1.00 0.00 H new ATOM 0 HG12 VAL A 43 9.149 -4.212 -2.510 1.00 0.00 H new ATOM 0 HG13 VAL A 43 7.834 -3.197 -3.150 1.00 0.00 H new ATOM 0 HG21 VAL A 43 8.257 -0.879 -1.168 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.660 -1.560 -1.559 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.203 -1.481 0.133 1.00 0.00 H new ATOM 738 N GLY A 44 8.577 -5.881 0.134 1.00 0.00 N ATOM 739 CA GLY A 44 9.225 -7.178 0.068 1.00 0.00 C ATOM 740 C GLY A 44 8.220 -8.311 -0.016 1.00 0.00 C ATOM 741 O GLY A 44 8.279 -9.138 -0.925 1.00 0.00 O ATOM 0 H GLY A 44 8.807 -5.328 0.959 1.00 0.00 H new ATOM 0 HA2 GLY A 44 9.882 -7.211 -0.801 1.00 0.00 H new ATOM 0 HA3 GLY A 44 9.853 -7.315 0.948 1.00 0.00 H new ATOM 745 N ASP A 45 7.285 -8.337 0.928 1.00 0.00 N ATOM 746 CA ASP A 45 6.254 -9.366 0.950 1.00 0.00 C ATOM 747 C ASP A 45 5.431 -9.318 -0.333 1.00 0.00 C ATOM 748 O ASP A 45 5.103 -10.355 -0.915 1.00 0.00 O ATOM 749 CB ASP A 45 5.342 -9.184 2.166 1.00 0.00 C ATOM 750 CG ASP A 45 6.116 -9.153 3.471 1.00 0.00 C ATOM 751 OD1 ASP A 45 7.356 -9.012 3.425 1.00 0.00 O ATOM 752 OD2 ASP A 45 5.480 -9.270 4.540 1.00 0.00 O ATOM 0 H ASP A 45 7.221 -7.658 1.686 1.00 0.00 H new ATOM 0 HA ASP A 45 6.740 -10.339 1.021 1.00 0.00 H new ATOM 0 HB2 ASP A 45 4.779 -8.257 2.059 1.00 0.00 H new ATOM 0 HB3 ASP A 45 4.616 -9.996 2.197 1.00 0.00 H new ATOM 757 N LEU A 46 5.108 -8.105 -0.776 1.00 0.00 N ATOM 758 CA LEU A 46 4.331 -7.920 -1.997 1.00 0.00 C ATOM 759 C LEU A 46 4.969 -8.667 -3.163 1.00 0.00 C ATOM 760 O LEU A 46 4.275 -9.273 -3.975 1.00 0.00 O ATOM 761 CB LEU A 46 4.204 -6.431 -2.332 1.00 0.00 C ATOM 762 CG LEU A 46 2.942 -5.750 -1.792 1.00 0.00 C ATOM 763 CD1 LEU A 46 2.936 -4.273 -2.155 1.00 0.00 C ATOM 764 CD2 LEU A 46 1.691 -6.436 -2.326 1.00 0.00 C ATOM 0 H LEU A 46 5.372 -7.238 -0.308 1.00 0.00 H new ATOM 0 HA LEU A 46 3.334 -8.328 -1.829 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.077 -5.910 -1.938 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.226 -6.315 -3.416 1.00 0.00 H new ATOM 0 HG LEU A 46 2.944 -5.838 -0.706 1.00 0.00 H new ATOM 0 HD11 LEU A 46 2.032 -3.806 -1.763 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.812 -3.789 -1.723 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.960 -4.165 -3.239 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.806 -5.937 -1.931 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.683 -6.381 -3.415 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.688 -7.481 -2.015 1.00 0.00 H new ATOM 776 N LYS A 47 6.298 -8.632 -3.232 1.00 0.00 N ATOM 777 CA LYS A 47 7.021 -9.323 -4.293 1.00 0.00 C ATOM 778 C LYS A 47 6.861 -10.831 -4.144 1.00 0.00 C ATOM 779 O LYS A 47 6.497 -11.532 -5.094 1.00 0.00 O ATOM 780 CB LYS A 47 8.504 -8.949 -4.262 1.00 0.00 C ATOM 781 CG LYS A 47 8.849 -7.741 -5.121 1.00 0.00 C ATOM 782 CD LYS A 47 9.105 -6.503 -4.273 1.00 0.00 C ATOM 783 CE LYS A 47 10.351 -5.758 -4.728 1.00 0.00 C ATOM 784 NZ LYS A 47 10.020 -4.428 -5.309 1.00 0.00 N ATOM 0 H LYS A 47 6.892 -8.135 -2.569 1.00 0.00 H new ATOM 0 HA LYS A 47 6.603 -9.016 -5.252 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.797 -8.747 -3.232 1.00 0.00 H new ATOM 0 HB3 LYS A 47 9.092 -9.803 -4.599 1.00 0.00 H new ATOM 0 HG2 LYS A 47 9.732 -7.961 -5.720 1.00 0.00 H new ATOM 0 HG3 LYS A 47 8.033 -7.544 -5.816 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.243 -5.839 -4.329 1.00 0.00 H new ATOM 0 HD3 LYS A 47 9.216 -6.794 -3.228 1.00 0.00 H new ATOM 0 HE2 LYS A 47 11.025 -5.627 -3.882 1.00 0.00 H new ATOM 0 HE3 LYS A 47 10.882 -6.356 -5.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 9.979 -4.502 -6.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 9.098 -4.111 -4.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 10.752 -3.740 -5.040 1.00 0.00 H new ATOM 798 N LEU A 48 7.120 -11.324 -2.934 1.00 0.00 N ATOM 799 CA LEU A 48 6.994 -12.748 -2.645 1.00 0.00 C ATOM 800 C LEU A 48 5.626 -13.263 -3.079 1.00 0.00 C ATOM 801 O LEU A 48 5.465 -14.440 -3.398 1.00 0.00 O ATOM 802 CB LEU A 48 7.199 -13.007 -1.150 1.00 0.00 C ATOM 803 CG LEU A 48 8.645 -12.902 -0.666 1.00 0.00 C ATOM 804 CD1 LEU A 48 8.688 -12.558 0.814 1.00 0.00 C ATOM 805 CD2 LEU A 48 9.393 -14.200 -0.935 1.00 0.00 C ATOM 0 H LEU A 48 7.418 -10.757 -2.140 1.00 0.00 H new ATOM 0 HA LEU A 48 7.762 -13.281 -3.205 1.00 0.00 H new ATOM 0 HB2 LEU A 48 6.592 -12.298 -0.588 1.00 0.00 H new ATOM 0 HB3 LEU A 48 6.825 -14.004 -0.915 1.00 0.00 H new ATOM 0 HG LEU A 48 9.136 -12.101 -1.219 1.00 0.00 H new ATOM 0 HD11 LEU A 48 9.725 -12.487 1.141 1.00 0.00 H new ATOM 0 HD12 LEU A 48 8.189 -11.603 0.980 1.00 0.00 H new ATOM 0 HD13 LEU A 48 8.180 -13.337 1.383 1.00 0.00 H new ATOM 0 HD21 LEU A 48 10.421 -14.107 -0.584 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.902 -15.019 -0.408 1.00 0.00 H new ATOM 0 HD23 LEU A 48 9.392 -14.405 -2.006 1.00 0.00 H new ATOM 817 N VAL A 49 4.646 -12.365 -3.100 1.00 0.00 N ATOM 818 CA VAL A 49 3.295 -12.718 -3.509 1.00 0.00 C ATOM 819 C VAL A 49 3.063 -12.328 -4.964 1.00 0.00 C ATOM 820 O VAL A 49 2.253 -12.941 -5.661 1.00 0.00 O ATOM 821 CB VAL A 49 2.241 -12.025 -2.627 1.00 0.00 C ATOM 822 CG1 VAL A 49 0.847 -12.535 -2.957 1.00 0.00 C ATOM 823 CG2 VAL A 49 2.559 -12.231 -1.156 1.00 0.00 C ATOM 0 H VAL A 49 4.765 -11.386 -2.838 1.00 0.00 H new ATOM 0 HA VAL A 49 3.191 -13.797 -3.395 1.00 0.00 H new ATOM 0 HB VAL A 49 2.267 -10.955 -2.834 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.116 -12.033 -2.323 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.622 -12.328 -4.003 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.802 -13.610 -2.782 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.803 -11.734 -0.547 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.563 -13.297 -0.930 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.539 -11.809 -0.933 1.00 0.00 H new ATOM 833 N ILE A 50 3.783 -11.304 -5.412 1.00 0.00 N ATOM 834 CA ILE A 50 3.664 -10.827 -6.783 1.00 0.00 C ATOM 835 C ILE A 50 4.817 -11.335 -7.643 1.00 0.00 C ATOM 836 O ILE A 50 5.138 -10.763 -8.685 1.00 0.00 O ATOM 837 CB ILE A 50 3.614 -9.286 -6.834 1.00 0.00 C ATOM 838 CG1 ILE A 50 2.476 -8.762 -5.959 1.00 0.00 C ATOM 839 CG2 ILE A 50 3.447 -8.798 -8.263 1.00 0.00 C ATOM 840 CD1 ILE A 50 2.702 -7.352 -5.461 1.00 0.00 C ATOM 0 H ILE A 50 4.455 -10.789 -4.844 1.00 0.00 H new ATOM 0 HA ILE A 50 2.729 -11.220 -7.183 1.00 0.00 H new ATOM 0 HB ILE A 50 4.559 -8.901 -6.449 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.546 -8.794 -6.527 1.00 0.00 H new ATOM 0 HG13 ILE A 50 2.350 -9.426 -5.104 1.00 0.00 H new ATOM 0 HG21 ILE A 50 3.414 -7.709 -8.274 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.288 -9.142 -8.866 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.519 -9.193 -8.676 1.00 0.00 H new ATOM 0 HD11 ILE A 50 1.856 -7.043 -4.847 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.615 -7.318 -4.866 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.798 -6.677 -6.311 1.00 0.00 H new ATOM 852 N ASN A 51 5.431 -12.422 -7.201 1.00 0.00 N ATOM 853 CA ASN A 51 6.545 -13.027 -7.926 1.00 0.00 C ATOM 854 C ASN A 51 6.224 -13.160 -9.414 1.00 0.00 C ATOM 855 O ASN A 51 7.120 -13.134 -10.259 1.00 0.00 O ATOM 856 CB ASN A 51 6.877 -14.402 -7.337 1.00 0.00 C ATOM 857 CG ASN A 51 8.223 -14.424 -6.641 1.00 0.00 C ATOM 858 OD1 ASN A 51 8.990 -15.378 -6.776 1.00 0.00 O ATOM 859 ND2 ASN A 51 8.518 -13.369 -5.889 1.00 0.00 N ATOM 0 H ASN A 51 5.177 -12.907 -6.340 1.00 0.00 H new ATOM 0 HA ASN A 51 7.411 -12.374 -7.820 1.00 0.00 H new ATOM 0 HB2 ASN A 51 6.100 -14.687 -6.628 1.00 0.00 H new ATOM 0 HB3 ASN A 51 6.871 -15.146 -8.133 1.00 0.00 H new ATOM 0 HD21 ASN A 51 9.410 -13.328 -5.396 1.00 0.00 H new ATOM 0 HD22 ASN A 51 7.853 -12.600 -5.805 1.00 0.00 H new ATOM 866 N GLU A 52 4.937 -13.297 -9.728 1.00 0.00 N ATOM 867 CA GLU A 52 4.496 -13.427 -11.111 1.00 0.00 C ATOM 868 C GLU A 52 3.961 -12.096 -11.638 1.00 0.00 C ATOM 869 O GLU A 52 3.440 -11.283 -10.873 1.00 0.00 O ATOM 870 CB GLU A 52 3.414 -14.503 -11.226 1.00 0.00 C ATOM 871 CG GLU A 52 3.930 -15.912 -10.983 1.00 0.00 C ATOM 872 CD GLU A 52 3.120 -16.964 -11.717 1.00 0.00 C ATOM 873 OE1 GLU A 52 3.319 -17.119 -12.941 1.00 0.00 O ATOM 874 OE2 GLU A 52 2.290 -17.633 -11.067 1.00 0.00 O ATOM 0 H GLU A 52 4.183 -13.321 -9.042 1.00 0.00 H new ATOM 0 HA GLU A 52 5.356 -13.720 -11.714 1.00 0.00 H new ATOM 0 HB2 GLU A 52 2.621 -14.287 -10.510 1.00 0.00 H new ATOM 0 HB3 GLU A 52 2.969 -14.454 -12.220 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.971 -15.974 -11.300 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.909 -16.123 -9.914 1.00 0.00 H new ATOM 881 N PRO A 53 4.088 -11.852 -12.954 1.00 0.00 N ATOM 882 CA PRO A 53 3.617 -10.608 -13.577 1.00 0.00 C ATOM 883 C PRO A 53 2.110 -10.414 -13.432 1.00 0.00 C ATOM 884 O PRO A 53 1.614 -9.288 -13.454 1.00 0.00 O ATOM 885 CB PRO A 53 3.989 -10.773 -15.056 1.00 0.00 C ATOM 886 CG PRO A 53 5.025 -11.847 -15.083 1.00 0.00 C ATOM 887 CD PRO A 53 4.701 -12.759 -13.937 1.00 0.00 C ATOM 0 HA PRO A 53 4.066 -9.733 -13.106 1.00 0.00 H new ATOM 0 HB2 PRO A 53 3.119 -11.050 -15.652 1.00 0.00 H new ATOM 0 HB3 PRO A 53 4.376 -9.842 -15.471 1.00 0.00 H new ATOM 0 HG2 PRO A 53 5.004 -12.387 -16.030 1.00 0.00 H new ATOM 0 HG3 PRO A 53 6.025 -11.427 -14.978 1.00 0.00 H new ATOM 0 HD2 PRO A 53 4.017 -13.553 -14.235 1.00 0.00 H new ATOM 0 HD3 PRO A 53 5.594 -13.240 -13.539 1.00 0.00 H new ATOM 895 N SER A 54 1.384 -11.520 -13.291 1.00 0.00 N ATOM 896 CA SER A 54 -0.068 -11.470 -13.152 1.00 0.00 C ATOM 897 C SER A 54 -0.485 -10.621 -11.953 1.00 0.00 C ATOM 898 O SER A 54 -1.478 -9.896 -12.012 1.00 0.00 O ATOM 899 CB SER A 54 -0.632 -12.886 -13.006 1.00 0.00 C ATOM 900 OG SER A 54 0.259 -13.848 -13.541 1.00 0.00 O ATOM 0 H SER A 54 1.777 -12.461 -13.270 1.00 0.00 H new ATOM 0 HA SER A 54 -0.473 -11.008 -14.052 1.00 0.00 H new ATOM 0 HB2 SER A 54 -0.815 -13.101 -11.953 1.00 0.00 H new ATOM 0 HB3 SER A 54 -1.593 -12.952 -13.516 1.00 0.00 H new ATOM 0 HG SER A 54 -0.124 -14.744 -13.434 1.00 0.00 H new ATOM 906 N ARG A 55 0.275 -10.720 -10.867 1.00 0.00 N ATOM 907 CA ARG A 55 -0.023 -9.966 -9.653 1.00 0.00 C ATOM 908 C ARG A 55 0.631 -8.583 -9.668 1.00 0.00 C ATOM 909 O ARG A 55 0.765 -7.945 -8.625 1.00 0.00 O ATOM 910 CB ARG A 55 0.449 -10.745 -8.423 1.00 0.00 C ATOM 911 CG ARG A 55 -0.438 -11.931 -8.077 1.00 0.00 C ATOM 912 CD ARG A 55 0.333 -13.241 -8.130 1.00 0.00 C ATOM 913 NE ARG A 55 -0.486 -14.335 -8.649 1.00 0.00 N ATOM 914 CZ ARG A 55 -0.014 -15.549 -8.923 1.00 0.00 C ATOM 915 NH1 ARG A 55 1.268 -15.830 -8.732 1.00 0.00 N ATOM 916 NH2 ARG A 55 -0.829 -16.485 -9.390 1.00 0.00 N ATOM 0 H ARG A 55 1.101 -11.314 -10.802 1.00 0.00 H new ATOM 0 HA ARG A 55 -1.103 -9.826 -9.610 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.465 -11.100 -8.596 1.00 0.00 H new ATOM 0 HB3 ARG A 55 0.488 -10.070 -7.568 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -0.856 -11.794 -7.080 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -1.277 -11.974 -8.772 1.00 0.00 H new ATOM 0 HD2 ARG A 55 1.215 -13.118 -8.759 1.00 0.00 H new ATOM 0 HD3 ARG A 55 0.687 -13.495 -7.131 1.00 0.00 H new ATOM 0 HE ARG A 55 -1.477 -14.158 -8.811 1.00 0.00 H new ATOM 0 HH11 ARG A 55 1.899 -15.114 -8.373 1.00 0.00 H new ATOM 0 HH12 ARG A 55 1.623 -16.762 -8.944 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -1.816 -16.274 -9.539 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -0.469 -17.416 -9.601 1.00 0.00 H new ATOM 930 N LEU A 56 1.037 -8.123 -10.847 1.00 0.00 N ATOM 931 CA LEU A 56 1.675 -6.816 -10.980 1.00 0.00 C ATOM 932 C LEU A 56 0.767 -5.689 -10.480 1.00 0.00 C ATOM 933 O LEU A 56 1.215 -4.800 -9.757 1.00 0.00 O ATOM 934 CB LEU A 56 2.060 -6.563 -12.440 1.00 0.00 C ATOM 935 CG LEU A 56 3.448 -7.066 -12.840 1.00 0.00 C ATOM 936 CD1 LEU A 56 3.519 -7.294 -14.341 1.00 0.00 C ATOM 937 CD2 LEU A 56 4.518 -6.079 -12.397 1.00 0.00 C ATOM 0 H LEU A 56 0.936 -8.634 -11.724 1.00 0.00 H new ATOM 0 HA LEU A 56 2.573 -6.823 -10.362 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.319 -7.038 -13.083 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.009 -5.491 -12.633 1.00 0.00 H new ATOM 0 HG LEU A 56 3.629 -8.017 -12.340 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.513 -7.652 -14.608 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.776 -8.037 -14.632 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.319 -6.357 -14.861 1.00 0.00 H new ATOM 0 HD21 LEU A 56 5.500 -6.451 -12.689 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.341 -5.113 -12.870 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.481 -5.964 -11.314 1.00 0.00 H new ATOM 949 N PRO A 57 -0.523 -5.701 -10.869 1.00 0.00 N ATOM 950 CA PRO A 57 -1.484 -4.664 -10.466 1.00 0.00 C ATOM 951 C PRO A 57 -1.451 -4.350 -8.971 1.00 0.00 C ATOM 952 O PRO A 57 -1.866 -3.270 -8.553 1.00 0.00 O ATOM 953 CB PRO A 57 -2.831 -5.273 -10.851 1.00 0.00 C ATOM 954 CG PRO A 57 -2.523 -6.162 -12.004 1.00 0.00 C ATOM 955 CD PRO A 57 -1.146 -6.714 -11.746 1.00 0.00 C ATOM 0 HA PRO A 57 -1.265 -3.710 -10.946 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -3.264 -5.833 -10.023 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -3.551 -4.502 -11.126 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -3.256 -6.964 -12.085 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -2.552 -5.608 -12.942 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -1.190 -7.690 -11.263 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.585 -6.842 -12.672 1.00 0.00 H new ATOM 963 N LEU A 58 -0.970 -5.293 -8.164 1.00 0.00 N ATOM 964 CA LEU A 58 -0.906 -5.096 -6.716 1.00 0.00 C ATOM 965 C LEU A 58 -0.159 -3.812 -6.358 1.00 0.00 C ATOM 966 O LEU A 58 -0.598 -3.049 -5.498 1.00 0.00 O ATOM 967 CB LEU A 58 -0.235 -6.296 -6.044 1.00 0.00 C ATOM 968 CG LEU A 58 -1.115 -7.054 -5.048 1.00 0.00 C ATOM 969 CD1 LEU A 58 -0.448 -8.353 -4.625 1.00 0.00 C ATOM 970 CD2 LEU A 58 -1.413 -6.185 -3.836 1.00 0.00 C ATOM 0 H LEU A 58 -0.621 -6.196 -8.485 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.929 -5.005 -6.350 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.093 -6.990 -6.818 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.659 -5.950 -5.526 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.058 -7.299 -5.537 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.089 -8.877 -3.917 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.286 -8.981 -5.501 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.510 -8.133 -4.153 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.040 -6.738 -3.137 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.479 -5.910 -3.347 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.934 -5.282 -4.155 1.00 0.00 H new ATOM 982 N PHE A 59 0.969 -3.577 -7.018 1.00 0.00 N ATOM 983 CA PHE A 59 1.772 -2.385 -6.758 1.00 0.00 C ATOM 984 C PHE A 59 0.959 -1.111 -6.979 1.00 0.00 C ATOM 985 O PHE A 59 0.914 -0.233 -6.115 1.00 0.00 O ATOM 986 CB PHE A 59 3.008 -2.373 -7.660 1.00 0.00 C ATOM 987 CG PHE A 59 4.012 -3.437 -7.321 1.00 0.00 C ATOM 988 CD1 PHE A 59 3.897 -4.710 -7.856 1.00 0.00 C ATOM 989 CD2 PHE A 59 5.072 -3.164 -6.471 1.00 0.00 C ATOM 990 CE1 PHE A 59 4.821 -5.692 -7.546 1.00 0.00 C ATOM 991 CE2 PHE A 59 5.998 -4.142 -6.157 1.00 0.00 C ATOM 992 CZ PHE A 59 5.871 -5.407 -6.696 1.00 0.00 C ATOM 0 H PHE A 59 1.349 -4.194 -7.736 1.00 0.00 H new ATOM 0 HA PHE A 59 2.086 -2.415 -5.715 1.00 0.00 H new ATOM 0 HB2 PHE A 59 2.693 -2.500 -8.696 1.00 0.00 H new ATOM 0 HB3 PHE A 59 3.488 -1.397 -7.591 1.00 0.00 H new ATOM 0 HD1 PHE A 59 3.078 -4.938 -8.522 1.00 0.00 H new ATOM 0 HD2 PHE A 59 5.176 -2.175 -6.049 1.00 0.00 H new ATOM 0 HE1 PHE A 59 4.721 -6.681 -7.969 1.00 0.00 H new ATOM 0 HE2 PHE A 59 6.819 -3.917 -5.492 1.00 0.00 H new ATOM 0 HZ PHE A 59 6.593 -6.173 -6.453 1.00 0.00 H new ATOM 1002 N ASP A 60 0.314 -1.020 -8.136 1.00 0.00 N ATOM 1003 CA ASP A 60 -0.499 0.144 -8.468 1.00 0.00 C ATOM 1004 C ASP A 60 -1.813 0.121 -7.699 1.00 0.00 C ATOM 1005 O ASP A 60 -2.423 1.160 -7.464 1.00 0.00 O ATOM 1006 CB ASP A 60 -0.772 0.191 -9.971 1.00 0.00 C ATOM 1007 CG ASP A 60 -0.750 1.606 -10.517 1.00 0.00 C ATOM 1008 OD1 ASP A 60 -1.773 2.310 -10.385 1.00 0.00 O ATOM 1009 OD2 ASP A 60 0.290 2.009 -11.078 1.00 0.00 O ATOM 0 H ASP A 60 0.338 -1.738 -8.860 1.00 0.00 H new ATOM 0 HA ASP A 60 0.054 1.038 -8.181 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -0.026 -0.409 -10.492 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -1.743 -0.260 -10.176 1.00 0.00 H new ATOM 1014 N ALA A 61 -2.241 -1.072 -7.317 1.00 0.00 N ATOM 1015 CA ALA A 61 -3.480 -1.245 -6.575 1.00 0.00 C ATOM 1016 C ALA A 61 -3.377 -0.662 -5.166 1.00 0.00 C ATOM 1017 O ALA A 61 -4.252 0.081 -4.724 1.00 0.00 O ATOM 1018 CB ALA A 61 -3.840 -2.720 -6.513 1.00 0.00 C ATOM 0 H ALA A 61 -1.744 -1.941 -7.511 1.00 0.00 H new ATOM 0 HA ALA A 61 -4.268 -0.702 -7.097 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -4.769 -2.845 -5.956 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -3.968 -3.106 -7.524 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -3.041 -3.269 -6.014 1.00 0.00 H new ATOM 1024 N ILE A 62 -2.312 -1.033 -4.459 1.00 0.00 N ATOM 1025 CA ILE A 62 -2.093 -0.577 -3.088 1.00 0.00 C ATOM 1026 C ILE A 62 -1.626 0.877 -3.010 1.00 0.00 C ATOM 1027 O ILE A 62 -1.974 1.595 -2.073 1.00 0.00 O ATOM 1028 CB ILE A 62 -1.068 -1.468 -2.359 1.00 0.00 C ATOM 1029 CG1 ILE A 62 -1.406 -2.948 -2.558 1.00 0.00 C ATOM 1030 CG2 ILE A 62 -1.026 -1.130 -0.876 1.00 0.00 C ATOM 1031 CD1 ILE A 62 -0.245 -3.877 -2.271 1.00 0.00 C ATOM 0 H ILE A 62 -1.583 -1.652 -4.815 1.00 0.00 H new ATOM 0 HA ILE A 62 -3.064 -0.649 -2.598 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.083 -1.277 -2.786 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -2.241 -3.212 -1.909 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.739 -3.102 -3.585 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -0.297 -1.769 -0.378 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.740 -0.086 -0.749 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -2.011 -1.293 -0.438 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.556 -4.909 -2.432 1.00 0.00 H new ATOM 0 HD12 ILE A 62 0.584 -3.640 -2.937 1.00 0.00 H new ATOM 0 HD13 ILE A 62 0.074 -3.752 -1.236 1.00 0.00 H new ATOM 1043 N ARG A 63 -0.817 1.302 -3.978 1.00 0.00 N ATOM 1044 CA ARG A 63 -0.280 2.668 -3.991 1.00 0.00 C ATOM 1045 C ARG A 63 -1.343 3.714 -3.631 1.00 0.00 C ATOM 1046 O ARG A 63 -1.133 4.528 -2.731 1.00 0.00 O ATOM 1047 CB ARG A 63 0.326 2.990 -5.359 1.00 0.00 C ATOM 1048 CG ARG A 63 1.639 3.752 -5.275 1.00 0.00 C ATOM 1049 CD ARG A 63 2.705 3.139 -6.169 1.00 0.00 C ATOM 1050 NE ARG A 63 2.523 3.509 -7.572 1.00 0.00 N ATOM 1051 CZ ARG A 63 3.491 3.454 -8.485 1.00 0.00 C ATOM 1052 NH1 ARG A 63 4.709 3.047 -8.149 1.00 0.00 N ATOM 1053 NH2 ARG A 63 3.238 3.807 -9.738 1.00 0.00 N ATOM 0 H ARG A 63 -0.517 0.724 -4.764 1.00 0.00 H new ATOM 0 HA ARG A 63 0.497 2.713 -3.228 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.489 2.060 -5.904 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.389 3.576 -5.936 1.00 0.00 H new ATOM 0 HG2 ARG A 63 1.476 4.790 -5.563 1.00 0.00 H new ATOM 0 HG3 ARG A 63 1.990 3.759 -4.243 1.00 0.00 H new ATOM 0 HD2 ARG A 63 3.690 3.464 -5.833 1.00 0.00 H new ATOM 0 HD3 ARG A 63 2.677 2.054 -6.074 1.00 0.00 H new ATOM 0 HE ARG A 63 1.601 3.828 -7.869 1.00 0.00 H new ATOM 0 HH11 ARG A 63 4.908 2.774 -7.187 1.00 0.00 H new ATOM 0 HH12 ARG A 63 5.446 3.007 -8.853 1.00 0.00 H new ATOM 0 HH21 ARG A 63 2.303 4.120 -10.001 1.00 0.00 H new ATOM 0 HH22 ARG A 63 3.978 3.766 -10.439 1.00 0.00 H new ATOM 1067 N PRO A 64 -2.493 3.717 -4.326 1.00 0.00 N ATOM 1068 CA PRO A 64 -3.570 4.676 -4.069 1.00 0.00 C ATOM 1069 C PRO A 64 -3.874 4.845 -2.583 1.00 0.00 C ATOM 1070 O PRO A 64 -3.883 5.961 -2.064 1.00 0.00 O ATOM 1071 CB PRO A 64 -4.765 4.056 -4.790 1.00 0.00 C ATOM 1072 CG PRO A 64 -4.167 3.278 -5.910 1.00 0.00 C ATOM 1073 CD PRO A 64 -2.829 2.791 -5.421 1.00 0.00 C ATOM 0 HA PRO A 64 -3.310 5.677 -4.413 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -5.340 3.413 -4.124 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -5.446 4.823 -5.159 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -4.808 2.441 -6.187 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -4.053 3.900 -6.798 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -2.883 1.760 -5.070 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -2.080 2.820 -6.212 1.00 0.00 H new ATOM 1081 N LEU A 65 -4.123 3.730 -1.901 1.00 0.00 N ATOM 1082 CA LEU A 65 -4.426 3.759 -0.474 1.00 0.00 C ATOM 1083 C LEU A 65 -3.172 4.043 0.353 1.00 0.00 C ATOM 1084 O LEU A 65 -3.260 4.365 1.538 1.00 0.00 O ATOM 1085 CB LEU A 65 -5.061 2.437 -0.038 1.00 0.00 C ATOM 1086 CG LEU A 65 -4.084 1.272 0.148 1.00 0.00 C ATOM 1087 CD1 LEU A 65 -3.998 0.878 1.615 1.00 0.00 C ATOM 1088 CD2 LEU A 65 -4.502 0.083 -0.703 1.00 0.00 C ATOM 0 H LEU A 65 -4.121 2.797 -2.313 1.00 0.00 H new ATOM 0 HA LEU A 65 -5.136 4.567 -0.298 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.590 2.599 0.901 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -5.807 2.149 -0.779 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.096 1.596 -0.179 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.300 0.049 1.729 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.650 1.729 2.200 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -4.983 0.573 1.968 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -3.796 -0.735 -0.558 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.500 -0.242 -0.409 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -4.510 0.373 -1.754 1.00 0.00 H new ATOM 1100 N ILE A 66 -2.008 3.919 -0.278 1.00 0.00 N ATOM 1101 CA ILE A 66 -0.739 4.159 0.399 1.00 0.00 C ATOM 1102 C ILE A 66 -0.406 5.652 0.430 1.00 0.00 C ATOM 1103 O ILE A 66 -0.544 6.346 -0.577 1.00 0.00 O ATOM 1104 CB ILE A 66 0.410 3.383 -0.291 1.00 0.00 C ATOM 1105 CG1 ILE A 66 0.306 1.890 0.027 1.00 0.00 C ATOM 1106 CG2 ILE A 66 1.775 3.919 0.131 1.00 0.00 C ATOM 1107 CD1 ILE A 66 1.375 1.056 -0.647 1.00 0.00 C ATOM 0 H ILE A 66 -1.918 3.653 -1.259 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.842 3.802 1.424 1.00 0.00 H new ATOM 0 HB ILE A 66 0.312 3.526 -1.367 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.373 1.750 1.106 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -0.675 1.528 -0.281 1.00 0.00 H new ATOM 0 HG21 ILE A 66 2.559 3.353 -0.371 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.854 4.971 -0.144 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.888 3.817 1.210 1.00 0.00 H new ATOM 0 HD11 ILE A 66 1.242 0.008 -0.378 1.00 0.00 H new ATOM 0 HD12 ILE A 66 1.295 1.166 -1.728 1.00 0.00 H new ATOM 0 HD13 ILE A 66 2.359 1.392 -0.320 1.00 0.00 H new ATOM 1119 N PRO A 67 0.049 6.167 1.591 1.00 0.00 N ATOM 1120 CA PRO A 67 0.412 7.576 1.753 1.00 0.00 C ATOM 1121 C PRO A 67 1.179 8.124 0.573 1.00 0.00 C ATOM 1122 O PRO A 67 2.035 7.462 -0.015 1.00 0.00 O ATOM 1123 CB PRO A 67 1.281 7.599 3.022 1.00 0.00 C ATOM 1124 CG PRO A 67 1.354 6.185 3.513 1.00 0.00 C ATOM 1125 CD PRO A 67 0.250 5.422 2.836 1.00 0.00 C ATOM 0 HA PRO A 67 -0.475 8.205 1.825 1.00 0.00 H new ATOM 0 HB2 PRO A 67 2.276 7.986 2.804 1.00 0.00 H new ATOM 0 HB3 PRO A 67 0.845 8.251 3.779 1.00 0.00 H new ATOM 0 HG2 PRO A 67 2.324 5.746 3.280 1.00 0.00 H new ATOM 0 HG3 PRO A 67 1.239 6.147 4.596 1.00 0.00 H new ATOM 0 HD2 PRO A 67 0.533 4.387 2.645 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -0.655 5.399 3.443 1.00 0.00 H new ATOM 1133 N LEU A 68 0.837 9.350 0.245 1.00 0.00 N ATOM 1134 CA LEU A 68 1.432 10.072 -0.852 1.00 0.00 C ATOM 1135 C LEU A 68 2.959 10.034 -0.794 1.00 0.00 C ATOM 1136 O LEU A 68 3.619 9.793 -1.804 1.00 0.00 O ATOM 1137 CB LEU A 68 0.926 11.498 -0.764 1.00 0.00 C ATOM 1138 CG LEU A 68 -0.162 11.855 -1.771 1.00 0.00 C ATOM 1139 CD1 LEU A 68 -0.573 13.312 -1.622 1.00 0.00 C ATOM 1140 CD2 LEU A 68 0.310 11.572 -3.190 1.00 0.00 C ATOM 0 H LEU A 68 0.124 9.881 0.744 1.00 0.00 H new ATOM 0 HA LEU A 68 1.153 9.613 -1.800 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.541 11.671 0.241 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.768 12.176 -0.904 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.034 11.233 -1.570 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.350 13.547 -2.349 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.955 13.481 -0.615 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.291 13.953 -1.795 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -0.479 11.833 -3.895 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.198 12.167 -3.403 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.550 10.513 -3.289 1.00 0.00 H new ATOM 1152 N LYS A 69 3.516 10.260 0.392 1.00 0.00 N ATOM 1153 CA LYS A 69 4.965 10.235 0.562 1.00 0.00 C ATOM 1154 C LYS A 69 5.495 8.822 0.339 1.00 0.00 C ATOM 1155 O LYS A 69 6.472 8.614 -0.387 1.00 0.00 O ATOM 1156 CB LYS A 69 5.350 10.730 1.958 1.00 0.00 C ATOM 1157 CG LYS A 69 4.674 9.971 3.088 1.00 0.00 C ATOM 1158 CD LYS A 69 5.073 10.524 4.447 1.00 0.00 C ATOM 1159 CE LYS A 69 3.891 10.571 5.404 1.00 0.00 C ATOM 1160 NZ LYS A 69 3.774 11.894 6.076 1.00 0.00 N ATOM 0 H LYS A 69 2.991 10.461 1.243 1.00 0.00 H new ATOM 0 HA LYS A 69 5.413 10.901 -0.176 1.00 0.00 H new ATOM 0 HB2 LYS A 69 6.431 10.651 2.076 1.00 0.00 H new ATOM 0 HB3 LYS A 69 5.097 11.787 2.041 1.00 0.00 H new ATOM 0 HG2 LYS A 69 3.592 10.032 2.973 1.00 0.00 H new ATOM 0 HG3 LYS A 69 4.942 8.916 3.030 1.00 0.00 H new ATOM 0 HD2 LYS A 69 5.863 9.906 4.874 1.00 0.00 H new ATOM 0 HD3 LYS A 69 5.483 11.527 4.326 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.972 10.359 4.857 1.00 0.00 H new ATOM 0 HE3 LYS A 69 4.002 9.790 6.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 2.957 11.885 6.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 4.640 12.086 6.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 3.643 12.637 5.360 1.00 0.00 H new ATOM 1174 N HIS A 70 4.832 7.851 0.958 1.00 0.00 N ATOM 1175 CA HIS A 70 5.221 6.455 0.820 1.00 0.00 C ATOM 1176 C HIS A 70 5.032 5.990 -0.619 1.00 0.00 C ATOM 1177 O HIS A 70 5.734 5.098 -1.086 1.00 0.00 O ATOM 1178 CB HIS A 70 4.405 5.576 1.767 1.00 0.00 C ATOM 1179 CG HIS A 70 4.782 5.739 3.207 1.00 0.00 C ATOM 1180 ND1 HIS A 70 4.284 4.935 4.211 1.00 0.00 N ATOM 1181 CD2 HIS A 70 5.616 6.620 3.811 1.00 0.00 C ATOM 1182 CE1 HIS A 70 4.794 5.315 5.370 1.00 0.00 C ATOM 1183 NE2 HIS A 70 5.605 6.334 5.153 1.00 0.00 N ATOM 0 H HIS A 70 4.023 8.006 1.560 1.00 0.00 H new ATOM 0 HA HIS A 70 6.275 6.365 1.082 1.00 0.00 H new ATOM 0 HB2 HIS A 70 3.347 5.811 1.648 1.00 0.00 H new ATOM 0 HB3 HIS A 70 4.533 4.532 1.482 1.00 0.00 H new ATOM 0 HD2 HIS A 70 6.183 7.401 3.327 1.00 0.00 H new ATOM 0 HE1 HIS A 70 4.583 4.868 6.330 1.00 0.00 H new ATOM 0 HE2 HIS A 70 6.138 6.829 5.868 1.00 0.00 H new ATOM 1192 N GLN A 71 4.085 6.609 -1.319 1.00 0.00 N ATOM 1193 CA GLN A 71 3.820 6.264 -2.711 1.00 0.00 C ATOM 1194 C GLN A 71 5.061 6.518 -3.555 1.00 0.00 C ATOM 1195 O GLN A 71 5.477 5.670 -4.345 1.00 0.00 O ATOM 1196 CB GLN A 71 2.643 7.079 -3.252 1.00 0.00 C ATOM 1197 CG GLN A 71 1.288 6.436 -3.000 1.00 0.00 C ATOM 1198 CD GLN A 71 0.135 7.330 -3.416 1.00 0.00 C ATOM 1199 OE1 GLN A 71 0.030 7.594 -4.713 1.00 0.00 O flip ATOM 1200 NE2 GLN A 71 -0.653 7.776 -2.583 1.00 0.00 N flip ATOM 0 H GLN A 71 3.491 7.349 -0.946 1.00 0.00 H new ATOM 0 HA GLN A 71 3.562 5.206 -2.764 1.00 0.00 H new ATOM 0 HB2 GLN A 71 2.657 8.068 -2.795 1.00 0.00 H new ATOM 0 HB3 GLN A 71 2.774 7.222 -4.325 1.00 0.00 H new ATOM 0 HG2 GLN A 71 1.229 5.494 -3.546 1.00 0.00 H new ATOM 0 HG3 GLN A 71 1.194 6.197 -1.941 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -0.535 7.548 -1.596 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -1.424 8.374 -2.880 1.00 0.00 H new ATOM 1209 N VAL A 72 5.659 7.690 -3.365 1.00 0.00 N ATOM 1210 CA VAL A 72 6.866 8.058 -4.093 1.00 0.00 C ATOM 1211 C VAL A 72 7.989 7.084 -3.772 1.00 0.00 C ATOM 1212 O VAL A 72 8.546 6.445 -4.666 1.00 0.00 O ATOM 1213 CB VAL A 72 7.336 9.480 -3.739 1.00 0.00 C ATOM 1214 CG1 VAL A 72 8.353 9.976 -4.755 1.00 0.00 C ATOM 1215 CG2 VAL A 72 6.153 10.433 -3.646 1.00 0.00 C ATOM 0 H VAL A 72 5.327 8.400 -2.713 1.00 0.00 H new ATOM 0 HA VAL A 72 6.623 8.023 -5.155 1.00 0.00 H new ATOM 0 HB VAL A 72 7.819 9.447 -2.762 1.00 0.00 H new ATOM 0 HG11 VAL A 72 8.673 10.983 -4.487 1.00 0.00 H new ATOM 0 HG12 VAL A 72 9.216 9.310 -4.761 1.00 0.00 H new ATOM 0 HG13 VAL A 72 7.900 9.991 -5.746 1.00 0.00 H new ATOM 0 HG21 VAL A 72 6.509 11.432 -3.395 1.00 0.00 H new ATOM 0 HG22 VAL A 72 5.634 10.463 -4.604 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.467 10.087 -2.873 1.00 0.00 H new ATOM 1225 N GLU A 73 8.311 6.964 -2.485 1.00 0.00 N ATOM 1226 CA GLU A 73 9.360 6.050 -2.050 1.00 0.00 C ATOM 1227 C GLU A 73 9.042 4.640 -2.518 1.00 0.00 C ATOM 1228 O GLU A 73 9.932 3.882 -2.907 1.00 0.00 O ATOM 1229 CB GLU A 73 9.508 6.084 -0.528 1.00 0.00 C ATOM 1230 CG GLU A 73 10.632 5.203 -0.006 1.00 0.00 C ATOM 1231 CD GLU A 73 10.938 5.455 1.457 1.00 0.00 C ATOM 1232 OE1 GLU A 73 10.262 4.856 2.319 1.00 0.00 O ATOM 1233 OE2 GLU A 73 11.855 6.254 1.743 1.00 0.00 O ATOM 0 H GLU A 73 7.863 7.485 -1.732 1.00 0.00 H new ATOM 0 HA GLU A 73 10.305 6.367 -2.491 1.00 0.00 H new ATOM 0 HB2 GLU A 73 9.686 7.112 -0.212 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.569 5.769 -0.073 1.00 0.00 H new ATOM 0 HG2 GLU A 73 10.361 4.156 -0.142 1.00 0.00 H new ATOM 0 HG3 GLU A 73 11.531 5.379 -0.597 1.00 0.00 H new ATOM 1240 N TYR A 74 7.756 4.306 -2.510 1.00 0.00 N ATOM 1241 CA TYR A 74 7.308 3.002 -2.971 1.00 0.00 C ATOM 1242 C TYR A 74 7.722 2.827 -4.423 1.00 0.00 C ATOM 1243 O TYR A 74 8.048 1.725 -4.864 1.00 0.00 O ATOM 1244 CB TYR A 74 5.790 2.871 -2.831 1.00 0.00 C ATOM 1245 CG TYR A 74 5.261 1.504 -3.206 1.00 0.00 C ATOM 1246 CD1 TYR A 74 5.187 0.486 -2.265 1.00 0.00 C ATOM 1247 CD2 TYR A 74 4.835 1.234 -4.501 1.00 0.00 C ATOM 1248 CE1 TYR A 74 4.703 -0.765 -2.602 1.00 0.00 C ATOM 1249 CE2 TYR A 74 4.349 -0.013 -4.846 1.00 0.00 C ATOM 1250 CZ TYR A 74 4.285 -1.008 -3.893 1.00 0.00 C ATOM 1251 OH TYR A 74 3.800 -2.251 -4.231 1.00 0.00 O ATOM 0 H TYR A 74 7.008 4.921 -2.189 1.00 0.00 H new ATOM 0 HA TYR A 74 7.768 2.225 -2.361 1.00 0.00 H new ATOM 0 HB2 TYR A 74 5.509 3.090 -1.801 1.00 0.00 H new ATOM 0 HB3 TYR A 74 5.310 3.622 -3.459 1.00 0.00 H new ATOM 0 HD1 TYR A 74 5.513 0.674 -1.253 1.00 0.00 H new ATOM 0 HD2 TYR A 74 4.884 2.011 -5.250 1.00 0.00 H new ATOM 0 HE1 TYR A 74 4.653 -1.547 -1.858 1.00 0.00 H new ATOM 0 HE2 TYR A 74 4.021 -0.207 -5.857 1.00 0.00 H new ATOM 0 HH TYR A 74 4.500 -2.762 -4.688 1.00 0.00 H new ATOM 1261 N ASP A 75 7.721 3.940 -5.155 1.00 0.00 N ATOM 1262 CA ASP A 75 8.113 3.936 -6.555 1.00 0.00 C ATOM 1263 C ASP A 75 9.624 3.760 -6.681 1.00 0.00 C ATOM 1264 O ASP A 75 10.108 3.095 -7.596 1.00 0.00 O ATOM 1265 CB ASP A 75 7.680 5.236 -7.233 1.00 0.00 C ATOM 1266 CG ASP A 75 7.833 5.180 -8.740 1.00 0.00 C ATOM 1267 OD1 ASP A 75 7.802 4.064 -9.300 1.00 0.00 O ATOM 1268 OD2 ASP A 75 7.982 6.254 -9.362 1.00 0.00 O ATOM 0 H ASP A 75 7.452 4.856 -4.796 1.00 0.00 H new ATOM 0 HA ASP A 75 7.618 3.100 -7.050 1.00 0.00 H new ATOM 0 HB2 ASP A 75 6.639 5.444 -6.984 1.00 0.00 H new ATOM 0 HB3 ASP A 75 8.273 6.062 -6.841 1.00 0.00 H new ATOM 1273 N GLN A 76 10.365 4.369 -5.758 1.00 0.00 N ATOM 1274 CA GLN A 76 11.822 4.282 -5.767 1.00 0.00 C ATOM 1275 C GLN A 76 12.306 2.860 -5.484 1.00 0.00 C ATOM 1276 O GLN A 76 13.397 2.474 -5.902 1.00 0.00 O ATOM 1277 CB GLN A 76 12.416 5.246 -4.738 1.00 0.00 C ATOM 1278 CG GLN A 76 12.583 6.664 -5.262 1.00 0.00 C ATOM 1279 CD GLN A 76 13.282 7.574 -4.270 1.00 0.00 C ATOM 1280 OE1 GLN A 76 13.946 7.108 -3.344 1.00 0.00 O ATOM 1281 NE2 GLN A 76 13.133 8.880 -4.459 1.00 0.00 N ATOM 0 H GLN A 76 9.980 4.927 -4.996 1.00 0.00 H new ATOM 0 HA GLN A 76 12.161 4.560 -6.765 1.00 0.00 H new ATOM 0 HB2 GLN A 76 11.774 5.266 -3.857 1.00 0.00 H new ATOM 0 HB3 GLN A 76 13.387 4.869 -4.417 1.00 0.00 H new ATOM 0 HG2 GLN A 76 13.153 6.639 -6.191 1.00 0.00 H new ATOM 0 HG3 GLN A 76 11.603 7.077 -5.500 1.00 0.00 H new ATOM 0 HE21 GLN A 76 12.573 9.222 -5.240 1.00 0.00 H new ATOM 0 HE22 GLN A 76 13.578 9.541 -3.823 1.00 0.00 H new ATOM 1290 N LEU A 77 11.501 2.089 -4.756 1.00 0.00 N ATOM 1291 CA LEU A 77 11.870 0.720 -4.404 1.00 0.00 C ATOM 1292 C LEU A 77 11.256 -0.310 -5.352 1.00 0.00 C ATOM 1293 O LEU A 77 11.776 -1.417 -5.491 1.00 0.00 O ATOM 1294 CB LEU A 77 11.443 0.414 -2.967 1.00 0.00 C ATOM 1295 CG LEU A 77 11.916 1.427 -1.921 1.00 0.00 C ATOM 1296 CD1 LEU A 77 11.271 1.141 -0.573 1.00 0.00 C ATOM 1297 CD2 LEU A 77 13.433 1.402 -1.805 1.00 0.00 C ATOM 0 H LEU A 77 10.593 2.387 -4.400 1.00 0.00 H new ATOM 0 HA LEU A 77 12.954 0.647 -4.495 1.00 0.00 H new ATOM 0 HB2 LEU A 77 10.355 0.359 -2.931 1.00 0.00 H new ATOM 0 HB3 LEU A 77 11.821 -0.571 -2.694 1.00 0.00 H new ATOM 0 HG LEU A 77 11.612 2.423 -2.242 1.00 0.00 H new ATOM 0 HD11 LEU A 77 11.618 1.870 0.159 1.00 0.00 H new ATOM 0 HD12 LEU A 77 10.187 1.209 -0.667 1.00 0.00 H new ATOM 0 HD13 LEU A 77 11.545 0.139 -0.244 1.00 0.00 H new ATOM 0 HD21 LEU A 77 13.753 2.128 -1.057 1.00 0.00 H new ATOM 0 HD22 LEU A 77 13.759 0.406 -1.506 1.00 0.00 H new ATOM 0 HD23 LEU A 77 13.876 1.655 -2.768 1.00 0.00 H new ATOM 1398 N ARG B 103 -6.147 6.972 7.047 1.00 0.00 N ATOM 1399 CA ARG B 103 -7.566 6.770 6.776 1.00 0.00 C ATOM 1400 C ARG B 103 -7.771 5.662 5.747 1.00 0.00 C ATOM 1401 O ARG B 103 -8.610 4.780 5.928 1.00 0.00 O ATOM 1402 CB ARG B 103 -8.201 8.072 6.279 1.00 0.00 C ATOM 1403 CG ARG B 103 -7.694 8.516 4.917 1.00 0.00 C ATOM 1404 CD ARG B 103 -8.229 9.888 4.541 1.00 0.00 C ATOM 1405 NE ARG B 103 -9.651 9.850 4.203 1.00 0.00 N ATOM 1406 CZ ARG B 103 -10.631 10.006 5.090 1.00 0.00 C ATOM 1407 NH1 ARG B 103 -10.354 10.199 6.375 1.00 0.00 N ATOM 1408 NH2 ARG B 103 -11.895 9.968 4.693 1.00 0.00 N ATOM 0 HA ARG B 103 -8.050 6.470 7.705 1.00 0.00 H new ATOM 0 HB2 ARG B 103 -9.282 7.943 6.230 1.00 0.00 H new ATOM 0 HB3 ARG B 103 -8.006 8.861 7.005 1.00 0.00 H new ATOM 0 HG2 ARG B 103 -6.604 8.539 4.924 1.00 0.00 H new ATOM 0 HG3 ARG B 103 -7.993 7.789 4.162 1.00 0.00 H new ATOM 0 HD2 ARG B 103 -8.072 10.578 5.370 1.00 0.00 H new ATOM 0 HD3 ARG B 103 -7.665 10.276 3.693 1.00 0.00 H new ATOM 0 HE ARG B 103 -9.908 9.694 3.228 1.00 0.00 H new ATOM 0 HH11 ARG B 103 -9.384 10.229 6.689 1.00 0.00 H new ATOM 0 HH12 ARG B 103 -11.111 10.318 7.048 1.00 0.00 H new ATOM 0 HH21 ARG B 103 -12.116 9.819 3.708 1.00 0.00 H new ATOM 0 HH22 ARG B 103 -12.647 10.087 5.372 1.00 0.00 H new ATOM 1422 N TYR B 104 -7.001 5.718 4.665 1.00 0.00 N ATOM 1423 CA TYR B 104 -7.097 4.723 3.603 1.00 0.00 C ATOM 1424 C TYR B 104 -6.753 3.332 4.126 1.00 0.00 C ATOM 1425 O TYR B 104 -7.530 2.388 3.970 1.00 0.00 O ATOM 1426 CB TYR B 104 -6.165 5.094 2.448 1.00 0.00 C ATOM 1427 CG TYR B 104 -6.846 5.866 1.342 1.00 0.00 C ATOM 1428 CD1 TYR B 104 -8.001 5.383 0.738 1.00 0.00 C ATOM 1429 CD2 TYR B 104 -6.335 7.080 0.901 1.00 0.00 C ATOM 1430 CE1 TYR B 104 -8.626 6.087 -0.273 1.00 0.00 C ATOM 1431 CE2 TYR B 104 -6.955 7.790 -0.111 1.00 0.00 C ATOM 1432 CZ TYR B 104 -8.100 7.290 -0.694 1.00 0.00 C ATOM 1433 OH TYR B 104 -8.718 7.995 -1.701 1.00 0.00 O ATOM 0 H TYR B 104 -6.303 6.443 4.501 1.00 0.00 H new ATOM 0 HA TYR B 104 -8.125 4.708 3.242 1.00 0.00 H new ATOM 0 HB2 TYR B 104 -5.337 5.687 2.837 1.00 0.00 H new ATOM 0 HB3 TYR B 104 -5.736 4.183 2.032 1.00 0.00 H new ATOM 0 HD1 TYR B 104 -8.417 4.441 1.065 1.00 0.00 H new ATOM 0 HD2 TYR B 104 -5.439 7.476 1.356 1.00 0.00 H new ATOM 0 HE1 TYR B 104 -9.523 5.697 -0.732 1.00 0.00 H new ATOM 0 HE2 TYR B 104 -6.544 8.732 -0.443 1.00 0.00 H new ATOM 0 HH TYR B 104 -8.220 8.821 -1.876 1.00 0.00 H new ATOM 1443 N LEU B 105 -5.582 3.211 4.745 1.00 0.00 N ATOM 1444 CA LEU B 105 -5.132 1.935 5.291 1.00 0.00 C ATOM 1445 C LEU B 105 -6.150 1.378 6.281 1.00 0.00 C ATOM 1446 O LEU B 105 -6.578 0.229 6.166 1.00 0.00 O ATOM 1447 CB LEU B 105 -3.771 2.105 5.973 1.00 0.00 C ATOM 1448 CG LEU B 105 -2.570 1.649 5.144 1.00 0.00 C ATOM 1449 CD1 LEU B 105 -1.300 2.326 5.630 1.00 0.00 C ATOM 1450 CD2 LEU B 105 -2.426 0.135 5.201 1.00 0.00 C ATOM 0 H LEU B 105 -4.928 3.982 4.881 1.00 0.00 H new ATOM 0 HA LEU B 105 -5.032 1.227 4.469 1.00 0.00 H new ATOM 0 HB2 LEU B 105 -3.639 3.156 6.229 1.00 0.00 H new ATOM 0 HB3 LEU B 105 -3.779 1.548 6.910 1.00 0.00 H new ATOM 0 HG LEU B 105 -2.737 1.938 4.107 1.00 0.00 H new ATOM 0 HD11 LEU B 105 -0.455 1.990 5.029 1.00 0.00 H new ATOM 0 HD12 LEU B 105 -1.405 3.407 5.536 1.00 0.00 H new ATOM 0 HD13 LEU B 105 -1.127 2.068 6.675 1.00 0.00 H new ATOM 0 HD21 LEU B 105 -1.566 -0.171 4.605 1.00 0.00 H new ATOM 0 HD22 LEU B 105 -2.281 -0.178 6.235 1.00 0.00 H new ATOM 0 HD23 LEU B 105 -3.327 -0.331 4.804 1.00 0.00 H new ATOM 1462 N ARG B 106 -6.538 2.200 7.250 1.00 0.00 N ATOM 1463 CA ARG B 106 -7.510 1.794 8.257 1.00 0.00 C ATOM 1464 C ARG B 106 -8.851 1.456 7.615 1.00 0.00 C ATOM 1465 O ARG B 106 -9.579 0.590 8.096 1.00 0.00 O ATOM 1466 CB ARG B 106 -7.693 2.902 9.295 1.00 0.00 C ATOM 1467 CG ARG B 106 -8.389 2.437 10.564 1.00 0.00 C ATOM 1468 CD ARG B 106 -9.413 3.453 11.046 1.00 0.00 C ATOM 1469 NE ARG B 106 -8.843 4.793 11.161 1.00 0.00 N ATOM 1470 CZ ARG B 106 -9.408 5.783 11.848 1.00 0.00 C ATOM 1471 NH1 ARG B 106 -10.558 5.588 12.482 1.00 0.00 N ATOM 1472 NH2 ARG B 106 -8.822 6.971 11.902 1.00 0.00 N ATOM 0 H ARG B 106 -6.193 3.154 7.359 1.00 0.00 H new ATOM 0 HA ARG B 106 -7.130 0.900 8.752 1.00 0.00 H new ATOM 0 HB2 ARG B 106 -6.716 3.310 9.555 1.00 0.00 H new ATOM 0 HB3 ARG B 106 -8.270 3.713 8.851 1.00 0.00 H new ATOM 0 HG2 ARG B 106 -8.882 1.482 10.380 1.00 0.00 H new ATOM 0 HG3 ARG B 106 -7.648 2.268 11.345 1.00 0.00 H new ATOM 0 HD2 ARG B 106 -10.255 3.475 10.354 1.00 0.00 H new ATOM 0 HD3 ARG B 106 -9.805 3.141 12.014 1.00 0.00 H new ATOM 0 HE ARG B 106 -7.960 4.981 10.687 1.00 0.00 H new ATOM 0 HH11 ARG B 106 -11.013 4.676 12.444 1.00 0.00 H new ATOM 0 HH12 ARG B 106 -10.987 6.350 13.007 1.00 0.00 H new ATOM 0 HH21 ARG B 106 -7.938 7.126 11.417 1.00 0.00 H new ATOM 0 HH22 ARG B 106 -9.255 7.730 12.428 1.00 0.00 H new ATOM 1486 N GLU B 107 -9.171 2.146 6.523 1.00 0.00 N ATOM 1487 CA GLU B 107 -10.427 1.915 5.817 1.00 0.00 C ATOM 1488 C GLU B 107 -10.532 0.464 5.357 1.00 0.00 C ATOM 1489 O GLU B 107 -11.468 -0.246 5.721 1.00 0.00 O ATOM 1490 CB GLU B 107 -10.542 2.859 4.617 1.00 0.00 C ATOM 1491 CG GLU B 107 -11.648 3.893 4.762 1.00 0.00 C ATOM 1492 CD GLU B 107 -11.346 4.923 5.832 1.00 0.00 C ATOM 1493 OE1 GLU B 107 -11.601 4.638 7.021 1.00 0.00 O ATOM 1494 OE2 GLU B 107 -10.853 6.016 5.482 1.00 0.00 O ATOM 0 H GLU B 107 -8.580 2.867 6.109 1.00 0.00 H new ATOM 0 HA GLU B 107 -11.248 2.117 6.505 1.00 0.00 H new ATOM 0 HB2 GLU B 107 -9.591 3.373 4.477 1.00 0.00 H new ATOM 0 HB3 GLU B 107 -10.722 2.270 3.718 1.00 0.00 H new ATOM 0 HG2 GLU B 107 -11.795 4.398 3.808 1.00 0.00 H new ATOM 0 HG3 GLU B 107 -12.583 3.388 5.003 1.00 0.00 H new ATOM 1501 N ALA B 108 -9.562 0.030 4.558 1.00 0.00 N ATOM 1502 CA ALA B 108 -9.546 -1.338 4.054 1.00 0.00 C ATOM 1503 C ALA B 108 -9.184 -2.323 5.160 1.00 0.00 C ATOM 1504 O ALA B 108 -9.823 -3.364 5.315 1.00 0.00 O ATOM 1505 CB ALA B 108 -8.569 -1.461 2.893 1.00 0.00 C ATOM 0 H ALA B 108 -8.779 0.605 4.247 1.00 0.00 H new ATOM 0 HA ALA B 108 -10.547 -1.582 3.698 1.00 0.00 H new ATOM 0 HB1 ALA B 108 -8.567 -2.487 2.526 1.00 0.00 H new ATOM 0 HB2 ALA B 108 -8.872 -0.789 2.090 1.00 0.00 H new ATOM 0 HB3 ALA B 108 -7.567 -1.194 3.230 1.00 0.00 H new ATOM 1511 N ILE B 109 -8.152 -1.983 5.926 1.00 0.00 N ATOM 1512 CA ILE B 109 -7.696 -2.829 7.024 1.00 0.00 C ATOM 1513 C ILE B 109 -8.829 -3.099 8.014 1.00 0.00 C ATOM 1514 O ILE B 109 -9.153 -4.251 8.302 1.00 0.00 O ATOM 1515 CB ILE B 109 -6.502 -2.177 7.758 1.00 0.00 C ATOM 1516 CG1 ILE B 109 -5.268 -2.174 6.855 1.00 0.00 C ATOM 1517 CG2 ILE B 109 -6.198 -2.901 9.064 1.00 0.00 C ATOM 1518 CD1 ILE B 109 -4.116 -1.367 7.410 1.00 0.00 C ATOM 0 H ILE B 109 -7.614 -1.125 5.806 1.00 0.00 H new ATOM 0 HA ILE B 109 -7.372 -3.779 6.598 1.00 0.00 H new ATOM 0 HB ILE B 109 -6.771 -1.148 7.998 1.00 0.00 H new ATOM 0 HG12 ILE B 109 -4.939 -3.202 6.699 1.00 0.00 H new ATOM 0 HG13 ILE B 109 -5.543 -1.775 5.878 1.00 0.00 H new ATOM 0 HG21 ILE B 109 -5.354 -2.420 9.558 1.00 0.00 H new ATOM 0 HG22 ILE B 109 -7.071 -2.859 9.715 1.00 0.00 H new ATOM 0 HG23 ILE B 109 -5.951 -3.942 8.854 1.00 0.00 H new ATOM 0 HD11 ILE B 109 -3.275 -1.409 6.718 1.00 0.00 H new ATOM 0 HD12 ILE B 109 -4.427 -0.330 7.540 1.00 0.00 H new ATOM 0 HD13 ILE B 109 -3.814 -1.779 8.373 1.00 0.00 H new ATOM 1530 N GLN B 110 -9.428 -2.031 8.530 1.00 0.00 N ATOM 1531 CA GLN B 110 -10.522 -2.162 9.484 1.00 0.00 C ATOM 1532 C GLN B 110 -11.724 -2.837 8.838 1.00 0.00 C ATOM 1533 O GLN B 110 -12.432 -3.610 9.483 1.00 0.00 O ATOM 1534 CB GLN B 110 -10.922 -0.792 10.036 1.00 0.00 C ATOM 1535 CG GLN B 110 -11.624 -0.860 11.381 1.00 0.00 C ATOM 1536 CD GLN B 110 -13.003 -0.229 11.355 1.00 0.00 C ATOM 1537 OE1 GLN B 110 -13.992 -0.849 11.744 1.00 0.00 O ATOM 1538 NE2 GLN B 110 -13.076 1.015 10.891 1.00 0.00 N ATOM 0 H GLN B 110 -9.175 -1.069 8.304 1.00 0.00 H new ATOM 0 HA GLN B 110 -10.177 -2.785 10.309 1.00 0.00 H new ATOM 0 HB2 GLN B 110 -10.030 -0.174 10.132 1.00 0.00 H new ATOM 0 HB3 GLN B 110 -11.577 -0.297 9.318 1.00 0.00 H new ATOM 0 HG2 GLN B 110 -11.712 -1.902 11.688 1.00 0.00 H new ATOM 0 HG3 GLN B 110 -11.013 -0.357 12.131 1.00 0.00 H new ATOM 0 HE21 GLN B 110 -12.231 1.493 10.578 1.00 0.00 H new ATOM 0 HE22 GLN B 110 -13.977 1.491 10.848 1.00 0.00 H new ATOM 1547 N GLU B 111 -11.945 -2.552 7.558 1.00 0.00 N ATOM 1548 CA GLU B 111 -13.059 -3.151 6.833 1.00 0.00 C ATOM 1549 C GLU B 111 -12.998 -4.666 6.950 1.00 0.00 C ATOM 1550 O GLU B 111 -14.013 -5.328 7.168 1.00 0.00 O ATOM 1551 CB GLU B 111 -13.034 -2.731 5.362 1.00 0.00 C ATOM 1552 CG GLU B 111 -14.145 -3.353 4.530 1.00 0.00 C ATOM 1553 CD GLU B 111 -14.842 -2.344 3.639 1.00 0.00 C ATOM 1554 OE1 GLU B 111 -14.911 -1.158 4.026 1.00 0.00 O ATOM 1555 OE2 GLU B 111 -15.319 -2.739 2.555 1.00 0.00 O ATOM 0 H GLU B 111 -11.372 -1.915 7.005 1.00 0.00 H new ATOM 0 HA GLU B 111 -13.992 -2.798 7.273 1.00 0.00 H new ATOM 0 HB2 GLU B 111 -13.111 -1.645 5.302 1.00 0.00 H new ATOM 0 HB3 GLU B 111 -12.072 -3.006 4.931 1.00 0.00 H new ATOM 0 HG2 GLU B 111 -13.729 -4.150 3.914 1.00 0.00 H new ATOM 0 HG3 GLU B 111 -14.877 -3.812 5.194 1.00 0.00 H new ATOM 1562 N TYR B 112 -11.792 -5.206 6.829 1.00 0.00 N ATOM 1563 CA TYR B 112 -11.589 -6.641 6.948 1.00 0.00 C ATOM 1564 C TYR B 112 -11.747 -7.061 8.400 1.00 0.00 C ATOM 1565 O TYR B 112 -12.245 -8.147 8.693 1.00 0.00 O ATOM 1566 CB TYR B 112 -10.206 -7.038 6.427 1.00 0.00 C ATOM 1567 CG TYR B 112 -10.112 -8.487 6.001 1.00 0.00 C ATOM 1568 CD1 TYR B 112 -11.109 -9.067 5.226 1.00 0.00 C ATOM 1569 CD2 TYR B 112 -9.030 -9.272 6.374 1.00 0.00 C ATOM 1570 CE1 TYR B 112 -11.028 -10.390 4.835 1.00 0.00 C ATOM 1571 CE2 TYR B 112 -8.942 -10.597 5.986 1.00 0.00 C ATOM 1572 CZ TYR B 112 -9.943 -11.150 5.217 1.00 0.00 C ATOM 1573 OH TYR B 112 -9.859 -12.468 4.829 1.00 0.00 O ATOM 0 H TYR B 112 -10.942 -4.672 6.649 1.00 0.00 H new ATOM 0 HA TYR B 112 -12.338 -7.153 6.343 1.00 0.00 H new ATOM 0 HB2 TYR B 112 -9.950 -6.402 5.580 1.00 0.00 H new ATOM 0 HB3 TYR B 112 -9.466 -6.848 7.204 1.00 0.00 H new ATOM 0 HD1 TYR B 112 -11.960 -8.475 4.925 1.00 0.00 H new ATOM 0 HD2 TYR B 112 -8.244 -8.842 6.977 1.00 0.00 H new ATOM 0 HE1 TYR B 112 -11.811 -10.827 4.233 1.00 0.00 H new ATOM 0 HE2 TYR B 112 -8.093 -11.195 6.284 1.00 0.00 H new ATOM 0 HH TYR B 112 -9.292 -12.539 4.033 1.00 0.00 H new ATOM 1583 N ASP B 113 -11.342 -6.179 9.312 1.00 0.00 N ATOM 1584 CA ASP B 113 -11.466 -6.457 10.735 1.00 0.00 C ATOM 1585 C ASP B 113 -12.933 -6.664 11.093 1.00 0.00 C ATOM 1586 O ASP B 113 -13.262 -7.442 11.988 1.00 0.00 O ATOM 1587 CB ASP B 113 -10.880 -5.309 11.559 1.00 0.00 C ATOM 1588 CG ASP B 113 -10.709 -5.675 13.022 1.00 0.00 C ATOM 1589 OD1 ASP B 113 -10.485 -6.868 13.311 1.00 0.00 O ATOM 1590 OD2 ASP B 113 -10.798 -4.768 13.874 1.00 0.00 O ATOM 0 H ASP B 113 -10.929 -5.273 9.090 1.00 0.00 H new ATOM 0 HA ASP B 113 -10.909 -7.365 10.965 1.00 0.00 H new ATOM 0 HB2 ASP B 113 -9.914 -5.024 11.143 1.00 0.00 H new ATOM 0 HB3 ASP B 113 -11.531 -4.439 11.479 1.00 0.00 H new ATOM 1595 N ASN B 114 -13.809 -5.967 10.374 1.00 0.00 N ATOM 1596 CA ASN B 114 -15.244 -6.076 10.600 1.00 0.00 C ATOM 1597 C ASN B 114 -15.811 -7.298 9.886 1.00 0.00 C ATOM 1598 O ASN B 114 -16.756 -7.925 10.365 1.00 0.00 O ATOM 1599 CB ASN B 114 -15.957 -4.811 10.116 1.00 0.00 C ATOM 1600 CG ASN B 114 -17.125 -4.431 11.004 1.00 0.00 C ATOM 1601 OD1 ASN B 114 -18.286 -4.557 10.612 1.00 0.00 O ATOM 1602 ND2 ASN B 114 -16.824 -3.964 12.210 1.00 0.00 N ATOM 0 H ASN B 114 -13.548 -5.320 9.630 1.00 0.00 H new ATOM 0 HA ASN B 114 -15.412 -6.190 11.671 1.00 0.00 H new ATOM 0 HB2 ASN B 114 -15.245 -3.986 10.083 1.00 0.00 H new ATOM 0 HB3 ASN B 114 -16.313 -4.965 9.098 1.00 0.00 H new ATOM 0 HD21 ASN B 114 -17.569 -3.693 12.852 1.00 0.00 H new ATOM 0 HD22 ASN B 114 -15.848 -3.876 12.494 1.00 0.00 H new ATOM 1609 N ILE B 115 -15.227 -7.635 8.736 1.00 0.00 N ATOM 1610 CA ILE B 115 -15.679 -8.784 7.962 1.00 0.00 C ATOM 1611 C ILE B 115 -15.245 -10.092 8.620 1.00 0.00 C ATOM 1612 O ILE B 115 -15.956 -11.094 8.560 1.00 0.00 O ATOM 1613 CB ILE B 115 -15.136 -8.735 6.520 1.00 0.00 C ATOM 1614 CG1 ILE B 115 -15.583 -7.444 5.830 1.00 0.00 C ATOM 1615 CG2 ILE B 115 -15.600 -9.949 5.731 1.00 0.00 C ATOM 1616 CD1 ILE B 115 -14.616 -6.957 4.773 1.00 0.00 C ATOM 0 H ILE B 115 -14.443 -7.129 8.324 1.00 0.00 H new ATOM 0 HA ILE B 115 -16.768 -8.742 7.931 1.00 0.00 H new ATOM 0 HB ILE B 115 -14.047 -8.750 6.559 1.00 0.00 H new ATOM 0 HG12 ILE B 115 -16.559 -7.606 5.371 1.00 0.00 H new ATOM 0 HG13 ILE B 115 -15.709 -6.665 6.582 1.00 0.00 H new ATOM 0 HG21 ILE B 115 -15.206 -9.896 4.716 1.00 0.00 H new ATOM 0 HG22 ILE B 115 -15.238 -10.857 6.213 1.00 0.00 H new ATOM 0 HG23 ILE B 115 -16.689 -9.966 5.697 1.00 0.00 H new ATOM 0 HD11 ILE B 115 -14.997 -6.039 4.327 1.00 0.00 H new ATOM 0 HD12 ILE B 115 -13.645 -6.763 5.230 1.00 0.00 H new ATOM 0 HD13 ILE B 115 -14.508 -7.718 4.000 1.00 0.00 H new