USER MOD reduce.3.24.130724 H: found=0, std=0, add=756, rem=0, adj=11 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 -37:sc= -1.95! USER MOD Set 1.2: A 70 HIS : no HE2:sc= -2.94! C(o=-4.9!,f=-11!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 HIS : no HD1:sc= -0.72 K(o=-0.72,f=0.017) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -0.131 K(o=-0.13,f=-1.1) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot -159:sc= -0.273 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 HIS : no HE2:sc= -1.23 K(o=-1.2,f=-4.3!) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 THR OG1 : rot -139:sc= 0.138 USER MOD Single : A 37 MET CE :methyl -134:sc= -2.22! (180deg=-3.32!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -0.183 K(o=-0.18,f=-2.2!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 74 TYR OH : rot -140:sc= -0.202 USER MOD Single : A 76 GLN : amide:sc=-0.00318 X(o=-0.0032,f=-0.21) 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 -169:sc= 0.00771 USER MOD Single : B 114 ASN : amide:sc= -0.17 K(o=-0.17,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 32 N ARG A 3 -15.807 4.121 2.318 1.00 0.00 N ATOM 33 CA ARG A 3 -16.242 2.726 2.407 1.00 0.00 C ATOM 34 C ARG A 3 -15.911 1.950 1.131 1.00 0.00 C ATOM 35 O ARG A 3 -15.204 0.943 1.176 1.00 0.00 O ATOM 36 CB ARG A 3 -17.744 2.646 2.696 1.00 0.00 C ATOM 37 CG ARG A 3 -18.081 2.704 4.178 1.00 0.00 C ATOM 38 CD ARG A 3 -18.650 1.385 4.680 1.00 0.00 C ATOM 39 NE ARG A 3 -18.016 0.956 5.924 1.00 0.00 N ATOM 40 CZ ARG A 3 -18.231 -0.228 6.495 1.00 0.00 C ATOM 41 NH1 ARG A 3 -19.061 -1.100 5.937 1.00 0.00 N ATOM 42 NH2 ARG A 3 -17.615 -0.539 7.626 1.00 0.00 N ATOM 0 HA ARG A 3 -15.697 2.267 3.232 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -18.248 3.466 2.185 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -18.137 1.719 2.278 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -17.184 2.952 4.745 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -18.802 3.502 4.356 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -19.724 1.489 4.837 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -18.512 0.617 3.919 1.00 0.00 H new ATOM 0 HE ARG A 3 -17.371 1.600 6.382 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -19.538 -0.865 5.067 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -19.222 -2.005 6.378 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -16.976 0.128 8.059 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -17.779 -1.446 8.064 1.00 0.00 H new ATOM 56 N LYS A 4 -16.426 2.419 -0.003 1.00 0.00 N ATOM 57 CA LYS A 4 -16.186 1.764 -1.286 1.00 0.00 C ATOM 58 C LYS A 4 -14.697 1.548 -1.529 1.00 0.00 C ATOM 59 O LYS A 4 -14.301 0.575 -2.166 1.00 0.00 O ATOM 60 CB LYS A 4 -16.789 2.590 -2.424 1.00 0.00 C ATOM 61 CG LYS A 4 -16.626 1.948 -3.794 1.00 0.00 C ATOM 62 CD LYS A 4 -17.946 1.397 -4.314 1.00 0.00 C ATOM 63 CE LYS A 4 -18.080 -0.090 -4.028 1.00 0.00 C ATOM 64 NZ LYS A 4 -17.473 -0.920 -5.105 1.00 0.00 N ATOM 0 H LYS A 4 -17.013 3.251 -0.059 1.00 0.00 H new ATOM 0 HA LYS A 4 -16.669 0.787 -1.258 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -17.850 2.744 -2.228 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -16.321 3.574 -2.435 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -16.236 2.684 -4.497 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -15.893 1.143 -3.735 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -18.774 1.934 -3.850 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -18.016 1.570 -5.388 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -17.600 -0.321 -3.077 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -19.134 -0.346 -3.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -17.585 -1.927 -4.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -17.948 -0.718 -6.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -16.461 -0.695 -5.188 1.00 0.00 H new ATOM 78 N VAL A 5 -13.872 2.455 -1.014 1.00 0.00 N ATOM 79 CA VAL A 5 -12.428 2.342 -1.178 1.00 0.00 C ATOM 80 C VAL A 5 -11.952 0.962 -0.735 1.00 0.00 C ATOM 81 O VAL A 5 -11.063 0.372 -1.348 1.00 0.00 O ATOM 82 CB VAL A 5 -11.676 3.419 -0.371 1.00 0.00 C ATOM 83 CG1 VAL A 5 -10.179 3.340 -0.632 1.00 0.00 C ATOM 84 CG2 VAL A 5 -12.210 4.806 -0.703 1.00 0.00 C ATOM 0 H VAL A 5 -14.177 3.271 -0.483 1.00 0.00 H new ATOM 0 HA VAL A 5 -12.210 2.489 -2.236 1.00 0.00 H new ATOM 0 HB VAL A 5 -11.845 3.233 0.690 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -9.668 4.109 -0.053 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -9.810 2.358 -0.337 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -9.986 3.497 -1.693 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -11.667 5.553 -0.124 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -12.075 5.003 -1.767 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -13.271 4.856 -0.457 1.00 0.00 H new ATOM 94 N ALA A 6 -12.569 0.452 0.325 1.00 0.00 N ATOM 95 CA ALA A 6 -12.229 -0.864 0.847 1.00 0.00 C ATOM 96 C ALA A 6 -12.747 -1.961 -0.076 1.00 0.00 C ATOM 97 O ALA A 6 -12.113 -3.002 -0.236 1.00 0.00 O ATOM 98 CB ALA A 6 -12.792 -1.037 2.250 1.00 0.00 C ATOM 0 H ALA A 6 -13.308 0.931 0.839 1.00 0.00 H new ATOM 0 HA ALA A 6 -11.143 -0.945 0.895 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -12.530 -2.025 2.628 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -12.373 -0.275 2.907 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -13.877 -0.935 2.222 1.00 0.00 H new ATOM 104 N ARG A 7 -13.908 -1.717 -0.681 1.00 0.00 N ATOM 105 CA ARG A 7 -14.514 -2.684 -1.589 1.00 0.00 C ATOM 106 C ARG A 7 -13.685 -2.835 -2.859 1.00 0.00 C ATOM 107 O ARG A 7 -13.543 -3.934 -3.390 1.00 0.00 O ATOM 108 CB ARG A 7 -15.943 -2.261 -1.942 1.00 0.00 C ATOM 109 CG ARG A 7 -17.004 -3.218 -1.424 1.00 0.00 C ATOM 110 CD ARG A 7 -17.207 -3.065 0.075 1.00 0.00 C ATOM 111 NE ARG A 7 -18.102 -1.955 0.395 1.00 0.00 N ATOM 112 CZ ARG A 7 -19.426 -2.010 0.272 1.00 0.00 C ATOM 113 NH1 ARG A 7 -20.013 -3.121 -0.161 1.00 0.00 N ATOM 114 NH2 ARG A 7 -20.165 -0.956 0.584 1.00 0.00 N ATOM 0 H ARG A 7 -14.446 -0.859 -0.558 1.00 0.00 H new ATOM 0 HA ARG A 7 -14.544 -3.649 -1.082 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -16.131 -1.268 -1.534 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -16.033 -2.183 -3.025 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -17.946 -3.033 -1.941 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -16.712 -4.244 -1.650 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -17.616 -3.990 0.482 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -16.243 -2.904 0.557 1.00 0.00 H new ATOM 0 HE ARG A 7 -17.687 -1.086 0.733 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -19.448 -3.936 -0.401 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -21.028 -3.159 -0.254 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -19.719 -0.102 0.919 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -21.180 -0.999 0.490 1.00 0.00 H new ATOM 128 N GLU A 8 -13.139 -1.726 -3.338 1.00 0.00 N ATOM 129 CA GLU A 8 -12.323 -1.744 -4.545 1.00 0.00 C ATOM 130 C GLU A 8 -10.982 -2.412 -4.274 1.00 0.00 C ATOM 131 O GLU A 8 -10.505 -3.215 -5.076 1.00 0.00 O ATOM 132 CB GLU A 8 -12.109 -0.322 -5.067 1.00 0.00 C ATOM 133 CG GLU A 8 -13.373 0.323 -5.612 1.00 0.00 C ATOM 134 CD GLU A 8 -13.329 0.516 -7.116 1.00 0.00 C ATOM 135 OE1 GLU A 8 -12.877 -0.410 -7.821 1.00 0.00 O ATOM 136 OE2 GLU A 8 -13.746 1.594 -7.588 1.00 0.00 O ATOM 0 H GLU A 8 -13.245 -0.806 -2.912 1.00 0.00 H new ATOM 0 HA GLU A 8 -12.850 -2.320 -5.306 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -11.714 0.296 -4.261 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -11.354 -0.342 -5.853 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -14.232 -0.296 -5.354 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -13.520 1.289 -5.130 1.00 0.00 H new ATOM 143 N PHE A 9 -10.379 -2.081 -3.137 1.00 0.00 N ATOM 144 CA PHE A 9 -9.096 -2.661 -2.763 1.00 0.00 C ATOM 145 C PHE A 9 -9.232 -4.167 -2.573 1.00 0.00 C ATOM 146 O PHE A 9 -8.400 -4.940 -3.050 1.00 0.00 O ATOM 147 CB PHE A 9 -8.571 -2.016 -1.479 1.00 0.00 C ATOM 148 CG PHE A 9 -7.132 -2.339 -1.194 1.00 0.00 C ATOM 149 CD1 PHE A 9 -6.174 -2.221 -2.188 1.00 0.00 C ATOM 150 CD2 PHE A 9 -6.739 -2.763 0.065 1.00 0.00 C ATOM 151 CE1 PHE A 9 -4.849 -2.517 -1.931 1.00 0.00 C ATOM 152 CE2 PHE A 9 -5.415 -3.062 0.327 1.00 0.00 C ATOM 153 CZ PHE A 9 -4.469 -2.939 -0.671 1.00 0.00 C ATOM 0 H PHE A 9 -10.757 -1.417 -2.461 1.00 0.00 H new ATOM 0 HA PHE A 9 -8.384 -2.470 -3.566 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -8.685 -0.934 -1.552 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -9.183 -2.346 -0.639 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -6.466 -1.894 -3.175 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -7.474 -2.861 0.850 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -4.111 -2.419 -2.714 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -5.121 -3.392 1.312 1.00 0.00 H new ATOM 0 HZ PHE A 9 -3.434 -3.172 -0.468 1.00 0.00 H new ATOM 163 N ARG A 10 -10.288 -4.575 -1.878 1.00 0.00 N ATOM 164 CA ARG A 10 -10.537 -5.989 -1.630 1.00 0.00 C ATOM 165 C ARG A 10 -10.996 -6.687 -2.905 1.00 0.00 C ATOM 166 O ARG A 10 -10.518 -7.771 -3.237 1.00 0.00 O ATOM 167 CB ARG A 10 -11.585 -6.164 -0.526 1.00 0.00 C ATOM 168 CG ARG A 10 -12.993 -5.777 -0.950 1.00 0.00 C ATOM 169 CD ARG A 10 -13.972 -5.877 0.209 1.00 0.00 C ATOM 170 NE ARG A 10 -14.437 -7.248 0.415 1.00 0.00 N ATOM 171 CZ ARG A 10 -15.306 -7.865 -0.383 1.00 0.00 C ATOM 172 NH1 ARG A 10 -15.805 -7.238 -1.442 1.00 0.00 N ATOM 173 NH2 ARG A 10 -15.676 -9.109 -0.122 1.00 0.00 N ATOM 0 H ARG A 10 -10.984 -3.947 -1.477 1.00 0.00 H new ATOM 0 HA ARG A 10 -9.603 -6.446 -1.302 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -11.586 -7.204 -0.201 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -11.296 -5.561 0.335 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -12.990 -4.758 -1.338 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -13.321 -6.426 -1.762 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -13.494 -5.515 1.120 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -14.827 -5.229 0.018 1.00 0.00 H new ATOM 0 HE ARG A 10 -14.074 -7.762 1.218 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -15.523 -6.280 -1.647 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -16.470 -7.715 -2.050 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -15.295 -9.595 0.690 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -16.342 -9.582 -0.733 1.00 0.00 H new ATOM 187 N HIS A 11 -11.925 -6.058 -3.622 1.00 0.00 N ATOM 188 CA HIS A 11 -12.437 -6.626 -4.863 1.00 0.00 C ATOM 189 C HIS A 11 -11.321 -6.778 -5.889 1.00 0.00 C ATOM 190 O HIS A 11 -11.242 -7.787 -6.589 1.00 0.00 O ATOM 191 CB HIS A 11 -13.559 -5.753 -5.431 1.00 0.00 C ATOM 192 CG HIS A 11 -14.257 -6.364 -6.606 1.00 0.00 C ATOM 193 ND1 HIS A 11 -15.258 -5.723 -7.304 1.00 0.00 N ATOM 194 CD2 HIS A 11 -14.094 -7.568 -7.209 1.00 0.00 C ATOM 195 CE1 HIS A 11 -15.682 -6.504 -8.282 1.00 0.00 C ATOM 196 NE2 HIS A 11 -14.991 -7.629 -8.246 1.00 0.00 N ATOM 0 H HIS A 11 -12.335 -5.160 -3.365 1.00 0.00 H new ATOM 0 HA HIS A 11 -12.840 -7.614 -4.641 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -14.290 -5.558 -4.646 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -13.144 -4.789 -5.726 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -13.389 -8.336 -6.926 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -16.461 -6.263 -8.990 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -15.105 -8.416 -8.885 1.00 0.00 H new ATOM 205 N LYS A 12 -10.453 -5.773 -5.969 1.00 0.00 N ATOM 206 CA LYS A 12 -9.337 -5.805 -6.904 1.00 0.00 C ATOM 207 C LYS A 12 -8.423 -6.986 -6.601 1.00 0.00 C ATOM 208 O LYS A 12 -8.135 -7.806 -7.477 1.00 0.00 O ATOM 209 CB LYS A 12 -8.542 -4.499 -6.835 1.00 0.00 C ATOM 210 CG LYS A 12 -9.033 -3.435 -7.804 1.00 0.00 C ATOM 211 CD LYS A 12 -8.470 -3.650 -9.200 1.00 0.00 C ATOM 212 CE LYS A 12 -7.979 -2.348 -9.811 1.00 0.00 C ATOM 213 NZ LYS A 12 -6.499 -2.213 -9.717 1.00 0.00 N ATOM 0 H LYS A 12 -10.502 -4.929 -5.398 1.00 0.00 H new ATOM 0 HA LYS A 12 -9.738 -5.919 -7.911 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -8.593 -4.105 -5.820 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -7.493 -4.711 -7.042 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -10.122 -3.452 -7.843 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -8.742 -2.449 -7.441 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -7.648 -4.365 -9.156 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -9.237 -4.086 -9.839 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -8.282 -2.301 -10.857 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -8.453 -1.508 -9.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -6.205 -1.312 -10.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -6.211 -2.232 -8.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -6.046 -3.001 -10.223 1.00 0.00 H new ATOM 227 N VAL A 13 -7.978 -7.075 -5.352 1.00 0.00 N ATOM 228 CA VAL A 13 -7.103 -8.160 -4.927 1.00 0.00 C ATOM 229 C VAL A 13 -7.713 -9.511 -5.278 1.00 0.00 C ATOM 230 O VAL A 13 -7.009 -10.441 -5.668 1.00 0.00 O ATOM 231 CB VAL A 13 -6.827 -8.105 -3.413 1.00 0.00 C ATOM 232 CG1 VAL A 13 -5.826 -9.177 -3.008 1.00 0.00 C ATOM 233 CG2 VAL A 13 -6.332 -6.724 -3.007 1.00 0.00 C ATOM 0 H VAL A 13 -8.210 -6.408 -4.616 1.00 0.00 H new ATOM 0 HA VAL A 13 -6.158 -8.037 -5.457 1.00 0.00 H new ATOM 0 HB VAL A 13 -7.763 -8.299 -2.889 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.646 -9.120 -1.935 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.225 -10.160 -3.257 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.889 -9.020 -3.542 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -6.143 -6.706 -1.934 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -5.410 -6.496 -3.542 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -7.088 -5.979 -3.254 1.00 0.00 H new ATOM 243 N ASP A 14 -9.030 -9.609 -5.145 1.00 0.00 N ATOM 244 CA ASP A 14 -9.733 -10.844 -5.458 1.00 0.00 C ATOM 245 C ASP A 14 -9.744 -11.090 -6.963 1.00 0.00 C ATOM 246 O ASP A 14 -9.783 -12.235 -7.413 1.00 0.00 O ATOM 247 CB ASP A 14 -11.167 -10.790 -4.925 1.00 0.00 C ATOM 248 CG ASP A 14 -11.887 -12.115 -5.072 1.00 0.00 C ATOM 249 OD1 ASP A 14 -11.508 -13.078 -4.373 1.00 0.00 O ATOM 250 OD2 ASP A 14 -12.831 -12.190 -5.887 1.00 0.00 O ATOM 0 H ASP A 14 -9.630 -8.850 -4.823 1.00 0.00 H new ATOM 0 HA ASP A 14 -9.208 -11.668 -4.975 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -11.151 -10.503 -3.874 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -11.721 -10.017 -5.458 1.00 0.00 H new ATOM 255 N PHE A 15 -9.699 -10.009 -7.740 1.00 0.00 N ATOM 256 CA PHE A 15 -9.693 -10.115 -9.191 1.00 0.00 C ATOM 257 C PHE A 15 -8.371 -10.697 -9.673 1.00 0.00 C ATOM 258 O PHE A 15 -8.314 -11.393 -10.687 1.00 0.00 O ATOM 259 CB PHE A 15 -9.927 -8.743 -9.828 1.00 0.00 C ATOM 260 CG PHE A 15 -10.894 -8.772 -10.978 1.00 0.00 C ATOM 261 CD1 PHE A 15 -12.183 -9.254 -10.803 1.00 0.00 C ATOM 262 CD2 PHE A 15 -10.515 -8.322 -12.231 1.00 0.00 C ATOM 263 CE1 PHE A 15 -13.074 -9.284 -11.858 1.00 0.00 C ATOM 264 CE2 PHE A 15 -11.403 -8.350 -13.291 1.00 0.00 C ATOM 265 CZ PHE A 15 -12.684 -8.831 -13.104 1.00 0.00 C ATOM 0 H PHE A 15 -9.666 -9.053 -7.386 1.00 0.00 H new ATOM 0 HA PHE A 15 -10.501 -10.782 -9.492 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -10.300 -8.057 -9.067 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -8.973 -8.345 -10.176 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -12.493 -9.610 -9.832 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -9.514 -7.945 -12.383 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -14.075 -9.661 -11.709 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -11.095 -7.996 -14.264 1.00 0.00 H new ATOM 0 HZ PHE A 15 -13.380 -8.853 -13.930 1.00 0.00 H new ATOM 275 N LEU A 16 -7.309 -10.396 -8.934 1.00 0.00 N ATOM 276 CA LEU A 16 -5.976 -10.876 -9.273 1.00 0.00 C ATOM 277 C LEU A 16 -5.706 -12.239 -8.646 1.00 0.00 C ATOM 278 O LEU A 16 -5.308 -13.182 -9.327 1.00 0.00 O ATOM 279 CB LEU A 16 -4.918 -9.871 -8.810 1.00 0.00 C ATOM 280 CG LEU A 16 -5.353 -8.404 -8.850 1.00 0.00 C ATOM 281 CD1 LEU A 16 -4.490 -7.568 -7.916 1.00 0.00 C ATOM 282 CD2 LEU A 16 -5.277 -7.867 -10.271 1.00 0.00 C ATOM 0 H LEU A 16 -7.347 -9.820 -8.093 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.922 -10.981 -10.357 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.626 -10.119 -7.790 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.031 -9.988 -9.433 1.00 0.00 H new ATOM 0 HG LEU A 16 -6.387 -8.340 -8.512 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.812 -6.528 -7.956 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.591 -7.940 -6.896 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.447 -7.637 -8.225 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.589 -6.823 -10.283 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.252 -7.943 -10.634 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.935 -8.450 -10.916 1.00 0.00 H new ATOM 294 N ILE A 17 -5.928 -12.330 -7.343 1.00 0.00 N ATOM 295 CA ILE A 17 -5.711 -13.569 -6.611 1.00 0.00 C ATOM 296 C ILE A 17 -6.930 -14.464 -6.668 1.00 0.00 C ATOM 297 O ILE A 17 -6.854 -15.611 -7.109 1.00 0.00 O ATOM 298 CB ILE A 17 -5.378 -13.308 -5.129 1.00 0.00 C ATOM 299 CG1 ILE A 17 -4.481 -12.080 -4.979 1.00 0.00 C ATOM 300 CG2 ILE A 17 -4.712 -14.529 -4.517 1.00 0.00 C ATOM 301 CD1 ILE A 17 -3.136 -12.225 -5.658 1.00 0.00 C ATOM 0 H ILE A 17 -6.260 -11.556 -6.768 1.00 0.00 H new ATOM 0 HA ILE A 17 -4.866 -14.060 -7.093 1.00 0.00 H new ATOM 0 HB ILE A 17 -6.310 -13.113 -4.598 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -4.995 -11.212 -5.392 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -4.324 -11.883 -3.919 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -4.482 -14.332 -3.470 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -5.385 -15.383 -4.586 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -3.790 -14.749 -5.056 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.554 -11.316 -5.510 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -2.601 -13.072 -5.229 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -3.283 -12.392 -6.725 1.00 0.00 H new ATOM 313 N GLU A 18 -8.048 -13.943 -6.186 1.00 0.00 N ATOM 314 CA GLU A 18 -9.281 -14.696 -6.140 1.00 0.00 C ATOM 315 C GLU A 18 -9.160 -15.861 -5.169 1.00 0.00 C ATOM 316 O GLU A 18 -10.074 -16.671 -5.020 1.00 0.00 O ATOM 317 CB GLU A 18 -9.674 -15.187 -7.528 1.00 0.00 C ATOM 318 CG GLU A 18 -10.949 -15.988 -7.510 1.00 0.00 C ATOM 319 CD GLU A 18 -11.563 -16.155 -8.885 1.00 0.00 C ATOM 320 OE1 GLU A 18 -11.901 -15.131 -9.514 1.00 0.00 O ATOM 321 OE2 GLU A 18 -11.707 -17.312 -9.335 1.00 0.00 O ATOM 0 H GLU A 18 -8.121 -12.994 -5.820 1.00 0.00 H new ATOM 0 HA GLU A 18 -10.070 -14.033 -5.784 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -9.794 -14.332 -8.193 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -8.869 -15.798 -7.936 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -10.747 -16.972 -7.086 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -11.669 -15.500 -6.854 1.00 0.00 H new ATOM 328 N ASN A 19 -8.021 -15.920 -4.512 1.00 0.00 N ATOM 329 CA ASN A 19 -7.738 -16.966 -3.539 1.00 0.00 C ATOM 330 C ASN A 19 -7.976 -16.462 -2.120 1.00 0.00 C ATOM 331 O ASN A 19 -8.336 -15.303 -1.915 1.00 0.00 O ATOM 332 CB ASN A 19 -6.296 -17.454 -3.689 1.00 0.00 C ATOM 333 CG ASN A 19 -6.213 -18.844 -4.289 1.00 0.00 C ATOM 334 OD1 ASN A 19 -7.122 -19.284 -4.993 1.00 0.00 O ATOM 335 ND2 ASN A 19 -5.120 -19.546 -4.010 1.00 0.00 N ATOM 0 H ASN A 19 -7.263 -15.248 -4.633 1.00 0.00 H new ATOM 0 HA ASN A 19 -8.415 -17.800 -3.727 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -5.743 -16.756 -4.318 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -5.812 -17.454 -2.712 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -5.010 -20.489 -4.384 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -4.391 -19.142 -3.422 1.00 0.00 H new ATOM 342 N ASP A 20 -7.775 -17.339 -1.142 1.00 0.00 N ATOM 343 CA ASP A 20 -7.969 -16.981 0.256 1.00 0.00 C ATOM 344 C ASP A 20 -6.641 -16.963 1.006 1.00 0.00 C ATOM 345 O ASP A 20 -6.346 -16.022 1.742 1.00 0.00 O ATOM 346 CB ASP A 20 -8.934 -17.960 0.927 1.00 0.00 C ATOM 347 CG ASP A 20 -10.353 -17.814 0.415 1.00 0.00 C ATOM 348 OD1 ASP A 20 -10.869 -16.677 0.414 1.00 0.00 O ATOM 349 OD2 ASP A 20 -10.950 -18.837 0.018 1.00 0.00 O ATOM 0 H ASP A 20 -7.478 -18.303 -1.293 1.00 0.00 H new ATOM 0 HA ASP A 20 -8.397 -15.979 0.290 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -8.591 -18.980 0.754 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -8.921 -17.798 2.005 1.00 0.00 H new ATOM 354 N ALA A 21 -5.842 -18.008 0.814 1.00 0.00 N ATOM 355 CA ALA A 21 -4.547 -18.111 1.474 1.00 0.00 C ATOM 356 C ALA A 21 -3.661 -16.921 1.129 1.00 0.00 C ATOM 357 O ALA A 21 -2.987 -16.363 1.995 1.00 0.00 O ATOM 358 CB ALA A 21 -3.860 -19.413 1.093 1.00 0.00 C ATOM 0 H ALA A 21 -6.069 -18.795 0.206 1.00 0.00 H new ATOM 0 HA ALA A 21 -4.715 -18.106 2.551 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.894 -19.475 1.594 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.481 -20.255 1.398 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.711 -19.444 0.014 1.00 0.00 H new ATOM 364 N GLU A 22 -3.670 -16.536 -0.140 1.00 0.00 N ATOM 365 CA GLU A 22 -2.869 -15.408 -0.600 1.00 0.00 C ATOM 366 C GLU A 22 -3.387 -14.106 -0.002 1.00 0.00 C ATOM 367 O GLU A 22 -2.615 -13.298 0.512 1.00 0.00 O ATOM 368 CB GLU A 22 -2.885 -15.329 -2.127 1.00 0.00 C ATOM 369 CG GLU A 22 -1.808 -16.170 -2.791 1.00 0.00 C ATOM 370 CD GLU A 22 -2.194 -17.632 -2.901 1.00 0.00 C ATOM 371 OE1 GLU A 22 -2.729 -18.180 -1.914 1.00 0.00 O ATOM 372 OE2 GLU A 22 -1.962 -18.228 -3.972 1.00 0.00 O ATOM 0 H GLU A 22 -4.222 -16.987 -0.869 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.842 -15.559 -0.268 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.861 -15.652 -2.489 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.761 -14.289 -2.430 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.607 -15.775 -3.787 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -0.883 -16.084 -2.221 1.00 0.00 H new ATOM 379 N LYS A 23 -4.701 -13.915 -0.059 1.00 0.00 N ATOM 380 CA LYS A 23 -5.317 -12.717 0.493 1.00 0.00 C ATOM 381 C LYS A 23 -5.093 -12.663 1.996 1.00 0.00 C ATOM 382 O LYS A 23 -4.960 -11.587 2.574 1.00 0.00 O ATOM 383 CB LYS A 23 -6.813 -12.686 0.176 1.00 0.00 C ATOM 384 CG LYS A 23 -7.271 -11.391 -0.477 1.00 0.00 C ATOM 385 CD LYS A 23 -8.786 -11.266 -0.468 1.00 0.00 C ATOM 386 CE LYS A 23 -9.429 -12.248 -1.433 1.00 0.00 C ATOM 387 NZ LYS A 23 -10.872 -12.458 -1.132 1.00 0.00 N ATOM 0 H LYS A 23 -5.357 -14.573 -0.481 1.00 0.00 H new ATOM 0 HA LYS A 23 -4.853 -11.843 0.035 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -7.053 -13.520 -0.483 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.374 -12.836 1.098 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -6.832 -10.543 0.048 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.908 -11.352 -1.504 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -9.161 -11.445 0.540 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -9.070 -10.249 -0.738 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.321 -11.878 -2.453 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -8.905 -13.202 -1.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.274 -13.134 -1.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -10.974 -12.835 -0.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -11.377 -11.552 -1.205 1.00 0.00 H new ATOM 401 N ASP A 24 -5.034 -13.834 2.620 1.00 0.00 N ATOM 402 CA ASP A 24 -4.805 -13.917 4.054 1.00 0.00 C ATOM 403 C ASP A 24 -3.447 -13.321 4.397 1.00 0.00 C ATOM 404 O ASP A 24 -3.337 -12.466 5.278 1.00 0.00 O ATOM 405 CB ASP A 24 -4.873 -15.373 4.522 1.00 0.00 C ATOM 406 CG ASP A 24 -5.531 -15.513 5.881 1.00 0.00 C ATOM 407 OD1 ASP A 24 -6.575 -14.865 6.105 1.00 0.00 O ATOM 408 OD2 ASP A 24 -5.003 -16.272 6.720 1.00 0.00 O ATOM 0 H ASP A 24 -5.141 -14.736 2.155 1.00 0.00 H new ATOM 0 HA ASP A 24 -5.583 -13.351 4.566 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -5.427 -15.961 3.791 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.865 -15.785 4.565 1.00 0.00 H new ATOM 413 N TYR A 25 -2.415 -13.769 3.688 1.00 0.00 N ATOM 414 CA TYR A 25 -1.065 -13.272 3.911 1.00 0.00 C ATOM 415 C TYR A 25 -0.956 -11.813 3.500 1.00 0.00 C ATOM 416 O TYR A 25 -0.417 -10.992 4.240 1.00 0.00 O ATOM 417 CB TYR A 25 -0.044 -14.119 3.147 1.00 0.00 C ATOM 418 CG TYR A 25 1.382 -13.646 3.313 1.00 0.00 C ATOM 419 CD1 TYR A 25 2.042 -13.778 4.529 1.00 0.00 C ATOM 420 CD2 TYR A 25 2.071 -13.066 2.252 1.00 0.00 C ATOM 421 CE1 TYR A 25 3.345 -13.347 4.684 1.00 0.00 C ATOM 422 CE2 TYR A 25 3.374 -12.634 2.401 1.00 0.00 C ATOM 423 CZ TYR A 25 4.007 -12.776 3.617 1.00 0.00 C ATOM 424 OH TYR A 25 5.304 -12.345 3.769 1.00 0.00 O ATOM 0 H TYR A 25 -2.490 -14.475 2.955 1.00 0.00 H new ATOM 0 HA TYR A 25 -0.847 -13.347 4.976 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -0.117 -15.153 3.485 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.299 -14.112 2.087 1.00 0.00 H new ATOM 0 HD1 TYR A 25 1.527 -14.225 5.367 1.00 0.00 H new ATOM 0 HD2 TYR A 25 1.579 -12.952 1.297 1.00 0.00 H new ATOM 0 HE1 TYR A 25 3.843 -13.457 5.636 1.00 0.00 H new ATOM 0 HE2 TYR A 25 3.895 -12.186 1.568 1.00 0.00 H new ATOM 0 HH TYR A 25 5.513 -11.686 3.074 1.00 0.00 H new ATOM 434 N LEU A 26 -1.487 -11.480 2.326 1.00 0.00 N ATOM 435 CA LEU A 26 -1.451 -10.102 1.864 1.00 0.00 C ATOM 436 C LEU A 26 -2.130 -9.224 2.894 1.00 0.00 C ATOM 437 O LEU A 26 -1.632 -8.155 3.246 1.00 0.00 O ATOM 438 CB LEU A 26 -2.132 -9.960 0.500 1.00 0.00 C ATOM 439 CG LEU A 26 -1.814 -8.668 -0.252 1.00 0.00 C ATOM 440 CD1 LEU A 26 -2.031 -8.851 -1.745 1.00 0.00 C ATOM 441 CD2 LEU A 26 -2.665 -7.523 0.276 1.00 0.00 C ATOM 0 H LEU A 26 -1.939 -12.136 1.689 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.413 -9.791 1.743 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.842 -10.806 -0.123 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.211 -10.024 0.642 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.765 -8.422 -0.087 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.799 -7.920 -2.263 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.379 -9.643 -2.113 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.071 -9.121 -1.931 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.426 -6.610 -0.270 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.720 -7.761 0.141 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.459 -7.376 1.336 1.00 0.00 H new ATOM 453 N TYR A 27 -3.250 -9.712 3.418 1.00 0.00 N ATOM 454 CA TYR A 27 -3.960 -8.991 4.456 1.00 0.00 C ATOM 455 C TYR A 27 -3.048 -8.866 5.670 1.00 0.00 C ATOM 456 O TYR A 27 -3.088 -7.871 6.394 1.00 0.00 O ATOM 457 CB TYR A 27 -5.256 -9.709 4.837 1.00 0.00 C ATOM 458 CG TYR A 27 -6.483 -9.133 4.167 1.00 0.00 C ATOM 459 CD1 TYR A 27 -6.850 -7.808 4.371 1.00 0.00 C ATOM 460 CD2 TYR A 27 -7.276 -9.911 3.330 1.00 0.00 C ATOM 461 CE1 TYR A 27 -7.970 -7.276 3.762 1.00 0.00 C ATOM 462 CE2 TYR A 27 -8.397 -9.385 2.718 1.00 0.00 C ATOM 463 CZ TYR A 27 -8.740 -8.068 2.937 1.00 0.00 C ATOM 464 OH TYR A 27 -9.855 -7.540 2.330 1.00 0.00 O ATOM 0 H TYR A 27 -3.678 -10.595 3.141 1.00 0.00 H new ATOM 0 HA TYR A 27 -4.230 -8.001 4.087 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -5.169 -10.763 4.574 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -5.385 -9.660 5.918 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -6.250 -7.184 5.016 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -7.011 -10.943 3.156 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -8.241 -6.244 3.931 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -9.002 -10.003 2.071 1.00 0.00 H new ATOM 0 HH TYR A 27 -10.286 -8.228 1.781 1.00 0.00 H new ATOM 474 N ASP A 28 -2.201 -9.882 5.868 1.00 0.00 N ATOM 475 CA ASP A 28 -1.256 -9.880 6.971 1.00 0.00 C ATOM 476 C ASP A 28 -0.138 -8.876 6.704 1.00 0.00 C ATOM 477 O ASP A 28 0.382 -8.254 7.631 1.00 0.00 O ATOM 478 CB ASP A 28 -0.670 -11.278 7.177 1.00 0.00 C ATOM 479 CG ASP A 28 -1.359 -12.035 8.296 1.00 0.00 C ATOM 480 OD1 ASP A 28 -2.606 -12.090 8.297 1.00 0.00 O ATOM 481 OD2 ASP A 28 -0.649 -12.570 9.174 1.00 0.00 O ATOM 0 H ASP A 28 -2.157 -10.711 5.276 1.00 0.00 H new ATOM 0 HA ASP A 28 -1.784 -9.588 7.879 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -0.757 -11.846 6.251 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.394 -11.194 7.400 1.00 0.00 H new ATOM 486 N VAL A 29 0.226 -8.716 5.430 1.00 0.00 N ATOM 487 CA VAL A 29 1.278 -7.777 5.061 1.00 0.00 C ATOM 488 C VAL A 29 0.870 -6.350 5.407 1.00 0.00 C ATOM 489 O VAL A 29 1.584 -5.644 6.118 1.00 0.00 O ATOM 490 CB VAL A 29 1.612 -7.863 3.557 1.00 0.00 C ATOM 491 CG1 VAL A 29 2.726 -6.890 3.195 1.00 0.00 C ATOM 492 CG2 VAL A 29 1.995 -9.284 3.176 1.00 0.00 C ATOM 0 H VAL A 29 -0.189 -9.220 4.647 1.00 0.00 H new ATOM 0 HA VAL A 29 2.167 -8.049 5.630 1.00 0.00 H new ATOM 0 HB VAL A 29 0.722 -7.585 2.993 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.945 -6.968 2.130 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.410 -5.873 3.427 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.621 -7.132 3.768 1.00 0.00 H new ATOM 0 HG21 VAL A 29 2.227 -9.325 2.112 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.869 -9.592 3.750 1.00 0.00 H new ATOM 0 HG23 VAL A 29 1.164 -9.955 3.392 1.00 0.00 H new ATOM 502 N LEU A 30 -0.290 -5.935 4.908 1.00 0.00 N ATOM 503 CA LEU A 30 -0.795 -4.595 5.177 1.00 0.00 C ATOM 504 C LEU A 30 -1.047 -4.419 6.671 1.00 0.00 C ATOM 505 O LEU A 30 -0.881 -3.328 7.216 1.00 0.00 O ATOM 506 CB LEU A 30 -2.087 -4.346 4.397 1.00 0.00 C ATOM 507 CG LEU A 30 -2.020 -4.690 2.906 1.00 0.00 C ATOM 508 CD1 LEU A 30 -3.320 -5.331 2.446 1.00 0.00 C ATOM 509 CD2 LEU A 30 -1.718 -3.445 2.085 1.00 0.00 C ATOM 0 H LEU A 30 -0.895 -6.505 4.318 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.046 -3.871 4.855 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.887 -4.929 4.853 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.359 -3.296 4.500 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.213 -5.406 2.754 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.253 -5.568 1.384 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.495 -6.246 3.012 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.146 -4.639 2.612 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.674 -3.708 1.028 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.503 -2.706 2.243 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.760 -3.028 2.395 1.00 0.00 H new ATOM 521 N ARG A 31 -1.445 -5.506 7.326 1.00 0.00 N ATOM 522 CA ARG A 31 -1.717 -5.482 8.758 1.00 0.00 C ATOM 523 C ARG A 31 -0.440 -5.203 9.543 1.00 0.00 C ATOM 524 O ARG A 31 -0.450 -4.448 10.515 1.00 0.00 O ATOM 525 CB ARG A 31 -2.326 -6.814 9.206 1.00 0.00 C ATOM 526 CG ARG A 31 -3.845 -6.796 9.272 1.00 0.00 C ATOM 527 CD ARG A 31 -4.359 -7.556 10.484 1.00 0.00 C ATOM 528 NE ARG A 31 -5.772 -7.907 10.353 1.00 0.00 N ATOM 529 CZ ARG A 31 -6.398 -8.772 11.148 1.00 0.00 C ATOM 530 NH1 ARG A 31 -5.741 -9.375 12.132 1.00 0.00 N ATOM 531 NH2 ARG A 31 -7.683 -9.032 10.961 1.00 0.00 N ATOM 0 H ARG A 31 -1.586 -6.415 6.886 1.00 0.00 H new ATOM 0 HA ARG A 31 -2.430 -4.682 8.957 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -2.010 -7.598 8.518 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -1.931 -7.073 10.188 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.196 -5.765 9.312 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -4.255 -7.237 8.364 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -3.771 -8.464 10.618 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -4.218 -6.950 11.379 1.00 0.00 H new ATOM 0 HE ARG A 31 -6.310 -7.463 9.609 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -4.752 -9.176 12.282 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -6.226 -10.037 12.738 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -8.193 -8.570 10.208 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -8.163 -9.695 11.570 1.00 0.00 H new ATOM 545 N MET A 32 0.660 -5.815 9.111 1.00 0.00 N ATOM 546 CA MET A 32 1.944 -5.626 9.770 1.00 0.00 C ATOM 547 C MET A 32 2.551 -4.285 9.366 1.00 0.00 C ATOM 548 O MET A 32 3.256 -3.649 10.151 1.00 0.00 O ATOM 549 CB MET A 32 2.886 -6.792 9.422 1.00 0.00 C ATOM 550 CG MET A 32 4.303 -6.376 9.057 1.00 0.00 C ATOM 551 SD MET A 32 5.485 -7.729 9.208 1.00 0.00 S ATOM 552 CE MET A 32 5.956 -7.577 10.929 1.00 0.00 C ATOM 0 H MET A 32 0.685 -6.444 8.309 1.00 0.00 H new ATOM 0 HA MET A 32 1.798 -5.616 10.850 1.00 0.00 H new ATOM 0 HB2 MET A 32 2.929 -7.473 10.272 1.00 0.00 H new ATOM 0 HB3 MET A 32 2.459 -7.350 8.588 1.00 0.00 H new ATOM 0 HG2 MET A 32 4.315 -6.001 8.034 1.00 0.00 H new ATOM 0 HG3 MET A 32 4.614 -5.554 9.702 1.00 0.00 H new ATOM 0 HE1 MET A 32 6.686 -8.348 11.176 1.00 0.00 H new ATOM 0 HE2 MET A 32 6.395 -6.594 11.101 1.00 0.00 H new ATOM 0 HE3 MET A 32 5.075 -7.696 11.559 1.00 0.00 H new ATOM 562 N TYR A 33 2.265 -3.860 8.140 1.00 0.00 N ATOM 563 CA TYR A 33 2.773 -2.594 7.632 1.00 0.00 C ATOM 564 C TYR A 33 2.173 -1.425 8.406 1.00 0.00 C ATOM 565 O TYR A 33 2.810 -0.387 8.574 1.00 0.00 O ATOM 566 CB TYR A 33 2.458 -2.454 6.139 1.00 0.00 C ATOM 567 CG TYR A 33 2.757 -1.082 5.576 1.00 0.00 C ATOM 568 CD1 TYR A 33 3.974 -0.461 5.819 1.00 0.00 C ATOM 569 CD2 TYR A 33 1.817 -0.410 4.803 1.00 0.00 C ATOM 570 CE1 TYR A 33 4.249 0.793 5.307 1.00 0.00 C ATOM 571 CE2 TYR A 33 2.086 0.845 4.287 1.00 0.00 C ATOM 572 CZ TYR A 33 3.303 1.441 4.543 1.00 0.00 C ATOM 573 OH TYR A 33 3.573 2.691 4.032 1.00 0.00 O ATOM 0 H TYR A 33 1.683 -4.376 7.480 1.00 0.00 H new ATOM 0 HA TYR A 33 3.855 -2.581 7.766 1.00 0.00 H new ATOM 0 HB2 TYR A 33 3.033 -3.196 5.585 1.00 0.00 H new ATOM 0 HB3 TYR A 33 1.404 -2.681 5.977 1.00 0.00 H new ATOM 0 HD1 TYR A 33 4.718 -0.966 6.418 1.00 0.00 H new ATOM 0 HD2 TYR A 33 0.863 -0.875 4.602 1.00 0.00 H new ATOM 0 HE1 TYR A 33 5.201 1.263 5.505 1.00 0.00 H new ATOM 0 HE2 TYR A 33 1.347 1.355 3.687 1.00 0.00 H new ATOM 0 HH TYR A 33 4.093 3.206 4.684 1.00 0.00 H new ATOM 583 N HIS A 34 0.943 -1.601 8.873 1.00 0.00 N ATOM 584 CA HIS A 34 0.257 -0.559 9.628 1.00 0.00 C ATOM 585 C HIS A 34 0.908 -0.355 10.992 1.00 0.00 C ATOM 586 O HIS A 34 0.964 0.765 11.503 1.00 0.00 O ATOM 587 CB HIS A 34 -1.218 -0.920 9.805 1.00 0.00 C ATOM 588 CG HIS A 34 -2.018 0.147 10.486 1.00 0.00 C ATOM 589 ND1 HIS A 34 -1.825 0.510 11.802 1.00 0.00 N ATOM 590 CD2 HIS A 34 -3.020 0.932 10.025 1.00 0.00 C ATOM 591 CE1 HIS A 34 -2.673 1.472 12.122 1.00 0.00 C ATOM 592 NE2 HIS A 34 -3.409 1.746 11.061 1.00 0.00 N ATOM 0 H HIS A 34 0.400 -2.455 8.743 1.00 0.00 H new ATOM 0 HA HIS A 34 0.334 0.372 9.067 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -1.654 -1.121 8.827 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -1.291 -1.842 10.382 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -1.135 0.100 12.431 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -3.436 0.920 9.028 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -2.750 1.952 13.086 1.00 0.00 H new ATOM 601 N GLN A 35 1.396 -1.443 11.579 1.00 0.00 N ATOM 602 CA GLN A 35 2.040 -1.383 12.888 1.00 0.00 C ATOM 603 C GLN A 35 3.467 -0.856 12.783 1.00 0.00 C ATOM 604 O GLN A 35 3.835 0.110 13.452 1.00 0.00 O ATOM 605 CB GLN A 35 2.039 -2.769 13.540 1.00 0.00 C ATOM 606 CG GLN A 35 1.412 -2.788 14.923 1.00 0.00 C ATOM 607 CD GLN A 35 -0.053 -3.176 14.894 1.00 0.00 C ATOM 608 OE1 GLN A 35 -0.927 -2.333 14.687 1.00 0.00 O ATOM 609 NE2 GLN A 35 -0.330 -4.458 15.100 1.00 0.00 N ATOM 0 H GLN A 35 1.358 -2.377 11.170 1.00 0.00 H new ATOM 0 HA GLN A 35 1.471 -0.692 13.510 1.00 0.00 H new ATOM 0 HB2 GLN A 35 1.500 -3.464 12.896 1.00 0.00 H new ATOM 0 HB3 GLN A 35 3.065 -3.129 13.610 1.00 0.00 H new ATOM 0 HG2 GLN A 35 1.957 -3.489 15.555 1.00 0.00 H new ATOM 0 HG3 GLN A 35 1.514 -1.803 15.378 1.00 0.00 H new ATOM 0 HE21 GLN A 35 0.426 -5.122 15.268 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -1.298 -4.778 15.091 1.00 0.00 H new ATOM 618 N THR A 36 4.268 -1.507 11.952 1.00 0.00 N ATOM 619 CA THR A 36 5.662 -1.117 11.763 1.00 0.00 C ATOM 620 C THR A 36 5.781 0.135 10.902 1.00 0.00 C ATOM 621 O THR A 36 6.720 0.917 11.057 1.00 0.00 O ATOM 622 CB THR A 36 6.449 -2.263 11.127 1.00 0.00 C ATOM 623 OG1 THR A 36 7.811 -1.908 10.967 1.00 0.00 O ATOM 624 CG2 THR A 36 5.919 -2.671 9.769 1.00 0.00 C ATOM 0 H THR A 36 3.977 -2.311 11.395 1.00 0.00 H new ATOM 0 HA THR A 36 6.079 -0.892 12.744 1.00 0.00 H new ATOM 0 HB THR A 36 6.338 -3.104 11.811 1.00 0.00 H new ATOM 0 HG1 THR A 36 8.135 -2.236 10.102 1.00 0.00 H new ATOM 0 HG21 THR A 36 6.522 -3.488 9.374 1.00 0.00 H new ATOM 0 HG22 THR A 36 4.884 -2.998 9.866 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.969 -1.821 9.088 1.00 0.00 H new ATOM 632 N MET A 37 4.833 0.321 9.990 1.00 0.00 N ATOM 633 CA MET A 37 4.842 1.480 9.103 1.00 0.00 C ATOM 634 C MET A 37 6.088 1.473 8.223 1.00 0.00 C ATOM 635 O MET A 37 6.707 2.513 7.995 1.00 0.00 O ATOM 636 CB MET A 37 4.779 2.776 9.916 1.00 0.00 C ATOM 637 CG MET A 37 3.361 3.227 10.230 1.00 0.00 C ATOM 638 SD MET A 37 2.387 3.547 8.747 1.00 0.00 S ATOM 639 CE MET A 37 0.754 3.053 9.296 1.00 0.00 C ATOM 0 H MET A 37 4.049 -0.315 9.845 1.00 0.00 H new ATOM 0 HA MET A 37 3.963 1.425 8.461 1.00 0.00 H new ATOM 0 HB2 MET A 37 5.323 2.636 10.850 1.00 0.00 H new ATOM 0 HB3 MET A 37 5.290 3.566 9.365 1.00 0.00 H new ATOM 0 HG2 MET A 37 2.865 2.462 10.827 1.00 0.00 H new ATOM 0 HG3 MET A 37 3.398 4.131 10.837 1.00 0.00 H new ATOM 0 HE1 MET A 37 0.286 2.431 8.533 1.00 0.00 H new ATOM 0 HE2 MET A 37 0.838 2.487 10.224 1.00 0.00 H new ATOM 0 HE3 MET A 37 0.143 3.940 9.466 1.00 0.00 H new ATOM 649 N ASP A 38 6.450 0.292 7.729 1.00 0.00 N ATOM 650 CA ASP A 38 7.621 0.144 6.872 1.00 0.00 C ATOM 651 C ASP A 38 7.210 -0.211 5.446 1.00 0.00 C ATOM 652 O ASP A 38 6.728 -1.312 5.185 1.00 0.00 O ATOM 653 CB ASP A 38 8.553 -0.933 7.429 1.00 0.00 C ATOM 654 CG ASP A 38 9.296 -0.470 8.667 1.00 0.00 C ATOM 655 OD1 ASP A 38 9.459 0.757 8.837 1.00 0.00 O ATOM 656 OD2 ASP A 38 9.717 -1.333 9.465 1.00 0.00 O ATOM 0 H ASP A 38 5.948 -0.577 7.908 1.00 0.00 H new ATOM 0 HA ASP A 38 8.149 1.097 6.852 1.00 0.00 H new ATOM 0 HB2 ASP A 38 7.972 -1.824 7.669 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.273 -1.219 6.662 1.00 0.00 H new ATOM 661 N VAL A 39 7.406 0.731 4.529 1.00 0.00 N ATOM 662 CA VAL A 39 7.058 0.520 3.129 1.00 0.00 C ATOM 663 C VAL A 39 7.938 -0.556 2.499 1.00 0.00 C ATOM 664 O VAL A 39 7.544 -1.202 1.527 1.00 0.00 O ATOM 665 CB VAL A 39 7.192 1.820 2.313 1.00 0.00 C ATOM 666 CG1 VAL A 39 6.724 1.608 0.881 1.00 0.00 C ATOM 667 CG2 VAL A 39 6.411 2.949 2.971 1.00 0.00 C ATOM 0 H VAL A 39 7.804 1.648 4.731 1.00 0.00 H new ATOM 0 HA VAL A 39 6.018 0.193 3.108 1.00 0.00 H new ATOM 0 HB VAL A 39 8.245 2.100 2.289 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.827 2.539 0.323 1.00 0.00 H new ATOM 0 HG12 VAL A 39 7.330 0.834 0.411 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.679 1.300 0.882 1.00 0.00 H new ATOM 0 HG21 VAL A 39 6.518 3.858 2.380 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.357 2.676 3.030 1.00 0.00 H new ATOM 0 HG23 VAL A 39 6.798 3.122 3.975 1.00 0.00 H new ATOM 677 N ALA A 40 9.125 -0.752 3.065 1.00 0.00 N ATOM 678 CA ALA A 40 10.052 -1.753 2.556 1.00 0.00 C ATOM 679 C ALA A 40 9.593 -3.152 2.939 1.00 0.00 C ATOM 680 O ALA A 40 9.912 -4.129 2.262 1.00 0.00 O ATOM 681 CB ALA A 40 11.453 -1.491 3.085 1.00 0.00 C ATOM 0 H ALA A 40 9.465 -0.232 3.874 1.00 0.00 H new ATOM 0 HA ALA A 40 10.071 -1.684 1.468 1.00 0.00 H new ATOM 0 HB1 ALA A 40 12.136 -2.247 2.697 1.00 0.00 H new ATOM 0 HB2 ALA A 40 11.784 -0.503 2.764 1.00 0.00 H new ATOM 0 HB3 ALA A 40 11.445 -1.535 4.174 1.00 0.00 H new ATOM 687 N VAL A 41 8.837 -3.240 4.028 1.00 0.00 N ATOM 688 CA VAL A 41 8.331 -4.516 4.498 1.00 0.00 C ATOM 689 C VAL A 41 7.118 -4.954 3.684 1.00 0.00 C ATOM 690 O VAL A 41 7.021 -6.109 3.271 1.00 0.00 O ATOM 691 CB VAL A 41 7.949 -4.460 5.990 1.00 0.00 C ATOM 692 CG1 VAL A 41 7.478 -5.821 6.477 1.00 0.00 C ATOM 693 CG2 VAL A 41 9.123 -3.966 6.820 1.00 0.00 C ATOM 0 H VAL A 41 8.563 -2.440 4.599 1.00 0.00 H new ATOM 0 HA VAL A 41 9.134 -5.242 4.370 1.00 0.00 H new ATOM 0 HB VAL A 41 7.125 -3.756 6.108 1.00 0.00 H new ATOM 0 HG11 VAL A 41 7.214 -5.758 7.533 1.00 0.00 H new ATOM 0 HG12 VAL A 41 6.605 -6.131 5.902 1.00 0.00 H new ATOM 0 HG13 VAL A 41 8.277 -6.551 6.346 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.837 -3.932 7.871 1.00 0.00 H new ATOM 0 HG22 VAL A 41 9.967 -4.644 6.695 1.00 0.00 H new ATOM 0 HG23 VAL A 41 9.408 -2.967 6.489 1.00 0.00 H new ATOM 703 N LEU A 42 6.196 -4.022 3.457 1.00 0.00 N ATOM 704 CA LEU A 42 4.993 -4.318 2.689 1.00 0.00 C ATOM 705 C LEU A 42 5.345 -4.673 1.248 1.00 0.00 C ATOM 706 O LEU A 42 4.752 -5.577 0.659 1.00 0.00 O ATOM 707 CB LEU A 42 4.022 -3.132 2.733 1.00 0.00 C ATOM 708 CG LEU A 42 4.304 -2.008 1.732 1.00 0.00 C ATOM 709 CD1 LEU A 42 3.678 -2.329 0.382 1.00 0.00 C ATOM 710 CD2 LEU A 42 3.782 -0.681 2.263 1.00 0.00 C ATOM 0 H LEU A 42 6.259 -3.061 3.792 1.00 0.00 H new ATOM 0 HA LEU A 42 4.503 -5.181 3.140 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.013 -3.505 2.558 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.036 -2.711 3.738 1.00 0.00 H new ATOM 0 HG LEU A 42 5.383 -1.924 1.599 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.888 -1.520 -0.318 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.098 -3.259 -0.002 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.600 -2.438 0.498 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.990 0.108 1.540 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.706 -0.751 2.424 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.275 -0.447 3.207 1.00 0.00 H new ATOM 722 N VAL A 43 6.320 -3.961 0.686 1.00 0.00 N ATOM 723 CA VAL A 43 6.751 -4.215 -0.683 1.00 0.00 C ATOM 724 C VAL A 43 7.434 -5.576 -0.783 1.00 0.00 C ATOM 725 O VAL A 43 7.217 -6.322 -1.739 1.00 0.00 O ATOM 726 CB VAL A 43 7.715 -3.121 -1.187 1.00 0.00 C ATOM 727 CG1 VAL A 43 8.151 -3.402 -2.617 1.00 0.00 C ATOM 728 CG2 VAL A 43 7.064 -1.751 -1.083 1.00 0.00 C ATOM 0 H VAL A 43 6.823 -3.208 1.156 1.00 0.00 H new ATOM 0 HA VAL A 43 5.860 -4.205 -1.311 1.00 0.00 H new ATOM 0 HB VAL A 43 8.603 -3.129 -0.555 1.00 0.00 H new ATOM 0 HG11 VAL A 43 8.830 -2.618 -2.951 1.00 0.00 H new ATOM 0 HG12 VAL A 43 8.660 -4.365 -2.660 1.00 0.00 H new ATOM 0 HG13 VAL A 43 7.276 -3.425 -3.266 1.00 0.00 H new ATOM 0 HG21 VAL A 43 7.757 -0.991 -1.442 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.158 -1.732 -1.689 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.809 -1.547 -0.043 1.00 0.00 H new ATOM 738 N GLY A 44 8.252 -5.896 0.216 1.00 0.00 N ATOM 739 CA GLY A 44 8.947 -7.170 0.227 1.00 0.00 C ATOM 740 C GLY A 44 7.990 -8.342 0.136 1.00 0.00 C ATOM 741 O GLY A 44 8.119 -9.192 -0.746 1.00 0.00 O ATOM 0 H GLY A 44 8.445 -5.296 1.018 1.00 0.00 H new ATOM 0 HA2 GLY A 44 9.647 -7.208 -0.608 1.00 0.00 H new ATOM 0 HA3 GLY A 44 9.536 -7.253 1.140 1.00 0.00 H new ATOM 745 N ASP A 45 7.020 -8.383 1.045 1.00 0.00 N ATOM 746 CA ASP A 45 6.032 -9.454 1.055 1.00 0.00 C ATOM 747 C ASP A 45 5.261 -9.484 -0.260 1.00 0.00 C ATOM 748 O ASP A 45 5.047 -10.550 -0.843 1.00 0.00 O ATOM 749 CB ASP A 45 5.063 -9.275 2.226 1.00 0.00 C ATOM 750 CG ASP A 45 5.775 -9.235 3.564 1.00 0.00 C ATOM 751 OD1 ASP A 45 6.560 -10.164 3.848 1.00 0.00 O ATOM 752 OD2 ASP A 45 5.549 -8.273 4.329 1.00 0.00 O ATOM 0 H ASP A 45 6.898 -7.688 1.782 1.00 0.00 H new ATOM 0 HA ASP A 45 6.557 -10.402 1.174 1.00 0.00 H new ATOM 0 HB2 ASP A 45 4.499 -8.352 2.090 1.00 0.00 H new ATOM 0 HB3 ASP A 45 4.342 -10.092 2.226 1.00 0.00 H new ATOM 757 N LEU A 46 4.853 -8.307 -0.731 1.00 0.00 N ATOM 758 CA LEU A 46 4.114 -8.199 -1.982 1.00 0.00 C ATOM 759 C LEU A 46 4.841 -8.935 -3.103 1.00 0.00 C ATOM 760 O LEU A 46 4.216 -9.565 -3.952 1.00 0.00 O ATOM 761 CB LEU A 46 3.915 -6.729 -2.362 1.00 0.00 C ATOM 762 CG LEU A 46 2.592 -6.109 -1.900 1.00 0.00 C ATOM 763 CD1 LEU A 46 2.514 -4.648 -2.319 1.00 0.00 C ATOM 764 CD2 LEU A 46 1.409 -6.887 -2.460 1.00 0.00 C ATOM 0 H LEU A 46 5.023 -7.416 -0.264 1.00 0.00 H new ATOM 0 HA LEU A 46 3.137 -8.661 -1.840 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.736 -6.148 -1.943 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.981 -6.638 -3.446 1.00 0.00 H new ATOM 0 HG LEU A 46 2.551 -6.160 -0.812 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.568 -4.223 -1.983 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.340 -4.096 -1.870 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.578 -4.577 -3.405 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.479 -6.430 -2.120 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.445 -6.869 -3.549 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.455 -7.919 -2.112 1.00 0.00 H new ATOM 776 N LYS A 47 6.169 -8.859 -3.092 1.00 0.00 N ATOM 777 CA LYS A 47 6.980 -9.529 -4.102 1.00 0.00 C ATOM 778 C LYS A 47 6.912 -11.041 -3.921 1.00 0.00 C ATOM 779 O LYS A 47 6.652 -11.784 -4.871 1.00 0.00 O ATOM 780 CB LYS A 47 8.432 -9.055 -4.022 1.00 0.00 C ATOM 781 CG LYS A 47 8.754 -7.919 -4.980 1.00 0.00 C ATOM 782 CD LYS A 47 9.490 -6.788 -4.276 1.00 0.00 C ATOM 783 CE LYS A 47 10.225 -5.900 -5.268 1.00 0.00 C ATOM 784 NZ LYS A 47 11.568 -5.499 -4.766 1.00 0.00 N ATOM 0 H LYS A 47 6.705 -8.341 -2.396 1.00 0.00 H new ATOM 0 HA LYS A 47 6.583 -9.276 -5.085 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.644 -8.731 -3.003 1.00 0.00 H new ATOM 0 HB3 LYS A 47 9.092 -9.896 -4.233 1.00 0.00 H new ATOM 0 HG2 LYS A 47 9.364 -8.296 -5.801 1.00 0.00 H new ATOM 0 HG3 LYS A 47 7.831 -7.538 -5.417 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.779 -6.189 -3.706 1.00 0.00 H new ATOM 0 HD3 LYS A 47 10.201 -7.204 -3.562 1.00 0.00 H new ATOM 0 HE2 LYS A 47 10.334 -6.428 -6.216 1.00 0.00 H new ATOM 0 HE3 LYS A 47 9.631 -5.008 -5.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 12.036 -4.895 -5.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 11.463 -4.973 -3.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 12.145 -6.349 -4.601 1.00 0.00 H new ATOM 798 N LEU A 48 7.138 -11.491 -2.688 1.00 0.00 N ATOM 799 CA LEU A 48 7.096 -12.915 -2.375 1.00 0.00 C ATOM 800 C LEU A 48 5.792 -13.535 -2.868 1.00 0.00 C ATOM 801 O LEU A 48 5.737 -14.724 -3.180 1.00 0.00 O ATOM 802 CB LEU A 48 7.240 -13.131 -0.867 1.00 0.00 C ATOM 803 CG LEU A 48 8.680 -13.162 -0.353 1.00 0.00 C ATOM 804 CD1 LEU A 48 8.761 -12.574 1.046 1.00 0.00 C ATOM 805 CD2 LEU A 48 9.219 -14.585 -0.369 1.00 0.00 C ATOM 0 H LEU A 48 7.352 -10.890 -1.892 1.00 0.00 H new ATOM 0 HA LEU A 48 7.928 -13.402 -2.884 1.00 0.00 H new ATOM 0 HB2 LEU A 48 6.702 -12.337 -0.349 1.00 0.00 H new ATOM 0 HB3 LEU A 48 6.755 -14.071 -0.602 1.00 0.00 H new ATOM 0 HG LEU A 48 9.296 -12.553 -1.015 1.00 0.00 H new ATOM 0 HD11 LEU A 48 9.793 -12.605 1.394 1.00 0.00 H new ATOM 0 HD12 LEU A 48 8.415 -11.540 1.027 1.00 0.00 H new ATOM 0 HD13 LEU A 48 8.133 -13.154 1.722 1.00 0.00 H new ATOM 0 HD21 LEU A 48 10.245 -14.590 -0.000 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.601 -15.215 0.270 1.00 0.00 H new ATOM 0 HD23 LEU A 48 9.198 -14.971 -1.388 1.00 0.00 H new ATOM 817 N VAL A 49 4.751 -12.714 -2.949 1.00 0.00 N ATOM 818 CA VAL A 49 3.452 -13.170 -3.419 1.00 0.00 C ATOM 819 C VAL A 49 3.249 -12.789 -4.882 1.00 0.00 C ATOM 820 O VAL A 49 2.524 -13.459 -5.617 1.00 0.00 O ATOM 821 CB VAL A 49 2.307 -12.574 -2.580 1.00 0.00 C ATOM 822 CG1 VAL A 49 0.975 -13.199 -2.966 1.00 0.00 C ATOM 823 CG2 VAL A 49 2.582 -12.762 -1.095 1.00 0.00 C ATOM 0 H VAL A 49 4.784 -11.727 -2.694 1.00 0.00 H new ATOM 0 HA VAL A 49 3.434 -14.255 -3.315 1.00 0.00 H new ATOM 0 HB VAL A 49 2.250 -11.505 -2.785 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.180 -12.763 -2.361 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.775 -13.007 -4.020 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.014 -14.275 -2.794 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.763 -12.335 -0.516 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.668 -13.826 -0.873 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.513 -12.260 -0.831 1.00 0.00 H new ATOM 833 N ILE A 50 3.901 -11.705 -5.295 1.00 0.00 N ATOM 834 CA ILE A 50 3.803 -11.226 -6.667 1.00 0.00 C ATOM 835 C ILE A 50 5.046 -11.601 -7.471 1.00 0.00 C ATOM 836 O ILE A 50 5.376 -10.965 -8.473 1.00 0.00 O ATOM 837 CB ILE A 50 3.596 -9.698 -6.708 1.00 0.00 C ATOM 838 CG1 ILE A 50 2.349 -9.313 -5.913 1.00 0.00 C ATOM 839 CG2 ILE A 50 3.486 -9.198 -8.139 1.00 0.00 C ATOM 840 CD1 ILE A 50 2.330 -7.863 -5.485 1.00 0.00 C ATOM 0 H ILE A 50 4.504 -11.142 -4.695 1.00 0.00 H new ATOM 0 HA ILE A 50 2.936 -11.709 -7.118 1.00 0.00 H new ATOM 0 HB ILE A 50 4.466 -9.225 -6.253 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.465 -9.517 -6.518 1.00 0.00 H new ATOM 0 HG13 ILE A 50 2.282 -9.946 -5.028 1.00 0.00 H new ATOM 0 HG21 ILE A 50 3.341 -8.118 -8.137 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.401 -9.440 -8.680 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.638 -9.677 -8.628 1.00 0.00 H new ATOM 0 HD11 ILE A 50 1.417 -7.661 -4.926 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.195 -7.659 -4.854 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.365 -7.223 -6.367 1.00 0.00 H new ATOM 852 N ASN A 51 5.729 -12.645 -7.027 1.00 0.00 N ATOM 853 CA ASN A 51 6.933 -13.120 -7.700 1.00 0.00 C ATOM 854 C ASN A 51 6.703 -13.262 -9.204 1.00 0.00 C ATOM 855 O ASN A 51 7.635 -13.147 -9.998 1.00 0.00 O ATOM 856 CB ASN A 51 7.376 -14.461 -7.112 1.00 0.00 C ATOM 857 CG ASN A 51 8.884 -14.612 -7.085 1.00 0.00 C ATOM 858 OD1 ASN A 51 9.619 -13.626 -7.125 1.00 0.00 O ATOM 859 ND2 ASN A 51 9.353 -15.853 -7.018 1.00 0.00 N ATOM 0 H ASN A 51 5.470 -13.183 -6.200 1.00 0.00 H new ATOM 0 HA ASN A 51 7.719 -12.382 -7.541 1.00 0.00 H new ATOM 0 HB2 ASN A 51 6.986 -14.556 -6.099 1.00 0.00 H new ATOM 0 HB3 ASN A 51 6.943 -15.272 -7.698 1.00 0.00 H new ATOM 0 HD21 ASN A 51 10.359 -16.017 -6.998 1.00 0.00 H new ATOM 0 HD22 ASN A 51 8.707 -16.641 -6.987 1.00 0.00 H new ATOM 866 N GLU A 52 5.451 -13.507 -9.587 1.00 0.00 N ATOM 867 CA GLU A 52 5.099 -13.660 -10.994 1.00 0.00 C ATOM 868 C GLU A 52 4.574 -12.344 -11.567 1.00 0.00 C ATOM 869 O GLU A 52 3.871 -11.600 -10.885 1.00 0.00 O ATOM 870 CB GLU A 52 4.049 -14.759 -11.164 1.00 0.00 C ATOM 871 CG GLU A 52 4.497 -16.117 -10.644 1.00 0.00 C ATOM 872 CD GLU A 52 4.070 -17.257 -11.550 1.00 0.00 C ATOM 873 OE1 GLU A 52 3.034 -17.116 -12.234 1.00 0.00 O ATOM 874 OE2 GLU A 52 4.773 -18.288 -11.576 1.00 0.00 O ATOM 0 H GLU A 52 4.666 -13.603 -8.943 1.00 0.00 H new ATOM 0 HA GLU A 52 5.999 -13.942 -11.540 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.138 -14.463 -10.644 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.798 -14.849 -12.221 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.582 -16.124 -10.544 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.084 -16.275 -9.648 1.00 0.00 H new ATOM 881 N PRO A 53 4.913 -12.035 -12.833 1.00 0.00 N ATOM 882 CA PRO A 53 4.471 -10.799 -13.489 1.00 0.00 C ATOM 883 C PRO A 53 2.950 -10.670 -13.543 1.00 0.00 C ATOM 884 O PRO A 53 2.418 -9.578 -13.738 1.00 0.00 O ATOM 885 CB PRO A 53 5.041 -10.914 -14.907 1.00 0.00 C ATOM 886 CG PRO A 53 6.155 -11.896 -14.798 1.00 0.00 C ATOM 887 CD PRO A 53 5.751 -12.860 -13.721 1.00 0.00 C ATOM 0 HA PRO A 53 4.812 -9.918 -12.946 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.282 -11.255 -15.611 1.00 0.00 H new ATOM 0 HB3 PRO A 53 5.399 -9.950 -15.267 1.00 0.00 H new ATOM 0 HG2 PRO A 53 6.314 -12.412 -15.745 1.00 0.00 H new ATOM 0 HG3 PRO A 53 7.091 -11.398 -14.545 1.00 0.00 H new ATOM 0 HD2 PRO A 53 5.197 -13.708 -14.125 1.00 0.00 H new ATOM 0 HD3 PRO A 53 6.617 -13.265 -13.197 1.00 0.00 H new ATOM 895 N SER A 54 2.255 -11.791 -13.376 1.00 0.00 N ATOM 896 CA SER A 54 0.795 -11.796 -13.415 1.00 0.00 C ATOM 897 C SER A 54 0.204 -11.003 -12.252 1.00 0.00 C ATOM 898 O SER A 54 -0.799 -10.308 -12.411 1.00 0.00 O ATOM 899 CB SER A 54 0.271 -13.234 -13.382 1.00 0.00 C ATOM 900 OG SER A 54 -0.865 -13.382 -14.214 1.00 0.00 O ATOM 0 H SER A 54 2.677 -12.705 -13.213 1.00 0.00 H new ATOM 0 HA SER A 54 0.485 -11.318 -14.344 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.055 -13.918 -13.707 1.00 0.00 H new ATOM 0 HB3 SER A 54 0.014 -13.507 -12.359 1.00 0.00 H new ATOM 0 HG SER A 54 -1.179 -14.310 -14.177 1.00 0.00 H new ATOM 906 N ARG A 55 0.824 -11.117 -11.083 1.00 0.00 N ATOM 907 CA ARG A 55 0.349 -10.415 -9.894 1.00 0.00 C ATOM 908 C ARG A 55 0.947 -9.009 -9.787 1.00 0.00 C ATOM 909 O ARG A 55 0.776 -8.334 -8.774 1.00 0.00 O ATOM 910 CB ARG A 55 0.688 -11.222 -8.640 1.00 0.00 C ATOM 911 CG ARG A 55 -0.071 -12.535 -8.537 1.00 0.00 C ATOM 912 CD ARG A 55 0.787 -13.631 -7.922 1.00 0.00 C ATOM 913 NE ARG A 55 0.827 -14.828 -8.760 1.00 0.00 N ATOM 914 CZ ARG A 55 -0.196 -15.666 -8.906 1.00 0.00 C ATOM 915 NH1 ARG A 55 -1.343 -15.442 -8.274 1.00 0.00 N ATOM 916 NH2 ARG A 55 -0.075 -16.732 -9.686 1.00 0.00 N ATOM 0 H ARG A 55 1.656 -11.688 -10.932 1.00 0.00 H new ATOM 0 HA ARG A 55 -0.732 -10.311 -9.981 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.758 -11.429 -8.630 1.00 0.00 H new ATOM 0 HB3 ARG A 55 0.472 -10.617 -7.759 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -0.967 -12.392 -7.933 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -0.401 -12.844 -9.529 1.00 0.00 H new ATOM 0 HD2 ARG A 55 1.800 -13.258 -7.773 1.00 0.00 H new ATOM 0 HD3 ARG A 55 0.395 -13.890 -6.938 1.00 0.00 H new ATOM 0 HE ARG A 55 1.691 -15.033 -9.263 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -1.443 -14.624 -7.673 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -2.124 -16.088 -8.390 1.00 0.00 H new ATOM 0 HH21 ARG A 55 0.803 -16.910 -10.174 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -0.860 -17.374 -9.797 1.00 0.00 H new ATOM 930 N LEU A 56 1.645 -8.573 -10.834 1.00 0.00 N ATOM 931 CA LEU A 56 2.262 -7.248 -10.852 1.00 0.00 C ATOM 932 C LEU A 56 1.271 -6.149 -10.457 1.00 0.00 C ATOM 933 O LEU A 56 1.551 -5.351 -9.563 1.00 0.00 O ATOM 934 CB LEU A 56 2.838 -6.952 -12.238 1.00 0.00 C ATOM 935 CG LEU A 56 4.311 -7.321 -12.420 1.00 0.00 C ATOM 936 CD1 LEU A 56 4.660 -7.421 -13.897 1.00 0.00 C ATOM 937 CD2 LEU A 56 5.205 -6.302 -11.729 1.00 0.00 C ATOM 0 H LEU A 56 1.798 -9.119 -11.682 1.00 0.00 H new ATOM 0 HA LEU A 56 3.065 -7.253 -10.115 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.250 -7.490 -12.981 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.717 -5.889 -12.445 1.00 0.00 H new ATOM 0 HG LEU A 56 4.479 -8.295 -11.961 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.712 -7.684 -14.005 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.044 -8.189 -14.365 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.475 -6.462 -14.380 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.250 -6.580 -11.869 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.032 -5.315 -12.159 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.975 -6.279 -10.664 1.00 0.00 H new ATOM 949 N PRO A 57 0.103 -6.082 -11.131 1.00 0.00 N ATOM 950 CA PRO A 57 -0.926 -5.073 -10.867 1.00 0.00 C ATOM 951 C PRO A 57 -1.061 -4.703 -9.389 1.00 0.00 C ATOM 952 O PRO A 57 -1.424 -3.573 -9.061 1.00 0.00 O ATOM 953 CB PRO A 57 -2.219 -5.736 -11.374 1.00 0.00 C ATOM 954 CG PRO A 57 -1.809 -7.020 -12.039 1.00 0.00 C ATOM 955 CD PRO A 57 -0.317 -6.967 -12.219 1.00 0.00 C ATOM 0 HA PRO A 57 -0.683 -4.130 -11.357 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -2.905 -5.928 -10.549 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -2.739 -5.085 -12.076 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.093 -7.878 -11.429 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -2.309 -7.133 -13.001 1.00 0.00 H new ATOM 0 HD2 PRO A 57 0.137 -7.955 -12.137 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.040 -6.569 -13.195 1.00 0.00 H new ATOM 963 N LEU A 58 -0.776 -5.649 -8.499 1.00 0.00 N ATOM 964 CA LEU A 58 -0.877 -5.401 -7.062 1.00 0.00 C ATOM 965 C LEU A 58 -0.068 -4.171 -6.652 1.00 0.00 C ATOM 966 O LEU A 58 -0.541 -3.333 -5.884 1.00 0.00 O ATOM 967 CB LEU A 58 -0.404 -6.624 -6.273 1.00 0.00 C ATOM 968 CG LEU A 58 -1.483 -7.309 -5.432 1.00 0.00 C ATOM 969 CD1 LEU A 58 -0.901 -8.502 -4.690 1.00 0.00 C ATOM 970 CD2 LEU A 58 -2.109 -6.321 -4.458 1.00 0.00 C ATOM 0 H LEU A 58 -0.474 -6.592 -8.745 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.925 -5.212 -6.832 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.007 -7.352 -6.973 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.410 -6.320 -5.615 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.265 -7.670 -6.100 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.682 -8.978 -4.097 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.504 -9.219 -5.409 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.100 -8.166 -4.032 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.874 -6.826 -3.869 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.340 -5.928 -3.793 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.562 -5.500 -5.014 1.00 0.00 H new ATOM 982 N PHE A 59 1.155 -4.069 -7.163 1.00 0.00 N ATOM 983 CA PHE A 59 2.027 -2.943 -6.844 1.00 0.00 C ATOM 984 C PHE A 59 1.375 -1.614 -7.220 1.00 0.00 C ATOM 985 O PHE A 59 1.307 -0.691 -6.404 1.00 0.00 O ATOM 986 CB PHE A 59 3.366 -3.088 -7.569 1.00 0.00 C ATOM 987 CG PHE A 59 4.078 -4.375 -7.267 1.00 0.00 C ATOM 988 CD1 PHE A 59 4.459 -4.683 -5.971 1.00 0.00 C ATOM 989 CD2 PHE A 59 4.366 -5.277 -8.279 1.00 0.00 C ATOM 990 CE1 PHE A 59 5.114 -5.868 -5.691 1.00 0.00 C ATOM 991 CE2 PHE A 59 5.021 -6.462 -8.005 1.00 0.00 C ATOM 992 CZ PHE A 59 5.396 -6.757 -6.708 1.00 0.00 C ATOM 0 H PHE A 59 1.565 -4.752 -7.800 1.00 0.00 H new ATOM 0 HA PHE A 59 2.198 -2.947 -5.767 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.197 -3.020 -8.644 1.00 0.00 H new ATOM 0 HB3 PHE A 59 4.011 -2.253 -7.294 1.00 0.00 H new ATOM 0 HD1 PHE A 59 4.242 -3.990 -5.171 1.00 0.00 H new ATOM 0 HD2 PHE A 59 4.075 -5.051 -9.294 1.00 0.00 H new ATOM 0 HE1 PHE A 59 5.405 -6.098 -4.677 1.00 0.00 H new ATOM 0 HE2 PHE A 59 5.240 -7.156 -8.803 1.00 0.00 H new ATOM 0 HZ PHE A 59 5.909 -7.682 -6.491 1.00 0.00 H new ATOM 1002 N ASP A 60 0.891 -1.525 -8.454 1.00 0.00 N ATOM 1003 CA ASP A 60 0.244 -0.309 -8.934 1.00 0.00 C ATOM 1004 C ASP A 60 -1.146 -0.167 -8.329 1.00 0.00 C ATOM 1005 O ASP A 60 -1.678 0.935 -8.220 1.00 0.00 O ATOM 1006 CB ASP A 60 0.156 -0.323 -10.462 1.00 0.00 C ATOM 1007 CG ASP A 60 0.915 0.828 -11.095 1.00 0.00 C ATOM 1008 OD1 ASP A 60 2.164 0.800 -11.071 1.00 0.00 O ATOM 1009 OD2 ASP A 60 0.262 1.756 -11.614 1.00 0.00 O ATOM 0 H ASP A 60 0.934 -2.279 -9.139 1.00 0.00 H new ATOM 0 HA ASP A 60 0.845 0.546 -8.624 1.00 0.00 H new ATOM 0 HB2 ASP A 60 0.552 -1.266 -10.838 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -0.890 -0.274 -10.764 1.00 0.00 H new ATOM 1014 N ALA A 61 -1.731 -1.292 -7.947 1.00 0.00 N ATOM 1015 CA ALA A 61 -3.059 -1.310 -7.352 1.00 0.00 C ATOM 1016 C ALA A 61 -3.067 -0.663 -5.966 1.00 0.00 C ATOM 1017 O ALA A 61 -3.906 0.187 -5.670 1.00 0.00 O ATOM 1018 CB ALA A 61 -3.564 -2.740 -7.272 1.00 0.00 C ATOM 0 H ALA A 61 -1.302 -2.213 -8.040 1.00 0.00 H new ATOM 0 HA ALA A 61 -3.723 -0.725 -7.988 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -4.559 -2.750 -6.826 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -3.611 -3.166 -8.274 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -2.885 -3.332 -6.658 1.00 0.00 H new ATOM 1024 N ILE A 62 -2.141 -1.098 -5.115 1.00 0.00 N ATOM 1025 CA ILE A 62 -2.044 -0.596 -3.746 1.00 0.00 C ATOM 1026 C ILE A 62 -1.443 0.808 -3.669 1.00 0.00 C ATOM 1027 O ILE A 62 -1.824 1.604 -2.811 1.00 0.00 O ATOM 1028 CB ILE A 62 -1.198 -1.540 -2.866 1.00 0.00 C ATOM 1029 CG1 ILE A 62 -1.644 -2.992 -3.047 1.00 0.00 C ATOM 1030 CG2 ILE A 62 -1.299 -1.132 -1.403 1.00 0.00 C ATOM 1031 CD1 ILE A 62 -0.513 -3.990 -2.925 1.00 0.00 C ATOM 0 H ILE A 62 -1.442 -1.802 -5.352 1.00 0.00 H new ATOM 0 HA ILE A 62 -3.068 -0.553 -3.376 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.157 -1.460 -3.179 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -2.406 -3.225 -2.303 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.111 -3.101 -4.026 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -0.697 -1.807 -0.795 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.933 -0.112 -1.284 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -2.339 -1.184 -1.082 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.901 -4.999 -3.064 1.00 0.00 H new ATOM 0 HD12 ILE A 62 0.239 -3.782 -3.686 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.061 -3.908 -1.937 1.00 0.00 H new ATOM 1043 N ARG A 63 -0.487 1.098 -4.545 1.00 0.00 N ATOM 1044 CA ARG A 63 0.189 2.399 -4.551 1.00 0.00 C ATOM 1045 C ARG A 63 -0.788 3.571 -4.378 1.00 0.00 C ATOM 1046 O ARG A 63 -0.611 4.407 -3.493 1.00 0.00 O ATOM 1047 CB ARG A 63 0.979 2.573 -5.849 1.00 0.00 C ATOM 1048 CG ARG A 63 2.444 2.913 -5.628 1.00 0.00 C ATOM 1049 CD ARG A 63 3.044 3.608 -6.839 1.00 0.00 C ATOM 1050 NE ARG A 63 4.405 3.153 -7.115 1.00 0.00 N ATOM 1051 CZ ARG A 63 4.694 2.012 -7.738 1.00 0.00 C ATOM 1052 NH1 ARG A 63 3.720 1.208 -8.149 1.00 0.00 N ATOM 1053 NH2 ARG A 63 5.958 1.675 -7.948 1.00 0.00 N ATOM 0 H ARG A 63 -0.159 0.451 -5.263 1.00 0.00 H new ATOM 0 HA ARG A 63 0.866 2.411 -3.697 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.912 1.654 -6.432 1.00 0.00 H new ATOM 0 HB3 ARG A 63 0.517 3.362 -6.443 1.00 0.00 H new ATOM 0 HG2 ARG A 63 2.541 3.556 -4.753 1.00 0.00 H new ATOM 0 HG3 ARG A 63 3.002 2.001 -5.417 1.00 0.00 H new ATOM 0 HD2 ARG A 63 2.416 3.423 -7.711 1.00 0.00 H new ATOM 0 HD3 ARG A 63 3.049 4.685 -6.673 1.00 0.00 H new ATOM 0 HE ARG A 63 5.179 3.744 -6.813 1.00 0.00 H new ATOM 0 HH11 ARG A 63 2.746 1.463 -7.988 1.00 0.00 H new ATOM 0 HH12 ARG A 63 3.946 0.335 -8.626 1.00 0.00 H new ATOM 0 HH21 ARG A 63 6.709 2.289 -7.633 1.00 0.00 H new ATOM 0 HH22 ARG A 63 6.180 0.801 -8.425 1.00 0.00 H new ATOM 1067 N PRO A 64 -1.821 3.654 -5.229 1.00 0.00 N ATOM 1068 CA PRO A 64 -2.812 4.735 -5.178 1.00 0.00 C ATOM 1069 C PRO A 64 -3.336 5.016 -3.770 1.00 0.00 C ATOM 1070 O PRO A 64 -3.320 6.157 -3.311 1.00 0.00 O ATOM 1071 CB PRO A 64 -3.939 4.214 -6.067 1.00 0.00 C ATOM 1072 CG PRO A 64 -3.260 3.329 -7.052 1.00 0.00 C ATOM 1073 CD PRO A 64 -2.094 2.711 -6.326 1.00 0.00 C ATOM 0 HA PRO A 64 -2.382 5.683 -5.501 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -4.681 3.666 -5.486 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -4.463 5.031 -6.563 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -3.941 2.561 -7.420 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -2.922 3.898 -7.918 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -2.339 1.718 -5.948 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -1.230 2.598 -6.981 1.00 0.00 H new ATOM 1081 N LEU A 65 -3.816 3.976 -3.096 1.00 0.00 N ATOM 1082 CA LEU A 65 -4.361 4.128 -1.751 1.00 0.00 C ATOM 1083 C LEU A 65 -3.281 4.511 -0.740 1.00 0.00 C ATOM 1084 O LEU A 65 -3.574 5.118 0.289 1.00 0.00 O ATOM 1085 CB LEU A 65 -5.062 2.840 -1.311 1.00 0.00 C ATOM 1086 CG LEU A 65 -4.136 1.724 -0.820 1.00 0.00 C ATOM 1087 CD1 LEU A 65 -4.254 1.559 0.688 1.00 0.00 C ATOM 1088 CD2 LEU A 65 -4.452 0.417 -1.528 1.00 0.00 C ATOM 0 H LEU A 65 -3.839 3.022 -3.457 1.00 0.00 H new ATOM 0 HA LEU A 65 -5.088 4.940 -1.783 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.765 3.083 -0.514 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -5.648 2.461 -2.148 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.108 2.001 -1.056 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.589 0.762 1.020 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.976 2.492 1.179 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -5.282 1.305 0.947 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -3.783 -0.364 -1.166 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.485 0.134 -1.325 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -4.315 0.543 -2.602 1.00 0.00 H new ATOM 1100 N ILE A 66 -2.035 4.152 -1.032 1.00 0.00 N ATOM 1101 CA ILE A 66 -0.930 4.462 -0.133 1.00 0.00 C ATOM 1102 C ILE A 66 -0.616 5.962 -0.138 1.00 0.00 C ATOM 1103 O ILE A 66 -0.633 6.601 -1.190 1.00 0.00 O ATOM 1104 CB ILE A 66 0.341 3.646 -0.495 1.00 0.00 C ATOM 1105 CG1 ILE A 66 0.984 3.081 0.772 1.00 0.00 C ATOM 1106 CG2 ILE A 66 1.352 4.485 -1.273 1.00 0.00 C ATOM 1107 CD1 ILE A 66 1.791 1.823 0.532 1.00 0.00 C ATOM 0 H ILE A 66 -1.767 3.650 -1.878 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.243 4.178 0.872 1.00 0.00 H new ATOM 0 HB ILE A 66 0.032 2.823 -1.139 1.00 0.00 H new ATOM 0 HG12 ILE A 66 1.632 3.840 1.210 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.203 2.868 1.502 1.00 0.00 H new ATOM 0 HG21 ILE A 66 2.226 3.877 -1.507 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.897 4.837 -2.199 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.656 5.341 -0.670 1.00 0.00 H new ATOM 0 HD11 ILE A 66 2.217 1.479 1.474 1.00 0.00 H new ATOM 0 HD12 ILE A 66 1.143 1.048 0.122 1.00 0.00 H new ATOM 0 HD13 ILE A 66 2.594 2.035 -0.174 1.00 0.00 H new ATOM 1119 N PRO A 67 -0.321 6.541 1.043 1.00 0.00 N ATOM 1120 CA PRO A 67 0.004 7.960 1.186 1.00 0.00 C ATOM 1121 C PRO A 67 0.830 8.499 0.044 1.00 0.00 C ATOM 1122 O PRO A 67 1.777 7.872 -0.432 1.00 0.00 O ATOM 1123 CB PRO A 67 0.793 8.027 2.505 1.00 0.00 C ATOM 1124 CG PRO A 67 0.780 6.640 3.080 1.00 0.00 C ATOM 1125 CD PRO A 67 -0.274 5.863 2.341 1.00 0.00 C ATOM 0 HA PRO A 67 -0.898 8.573 1.183 1.00 0.00 H new ATOM 0 HB2 PRO A 67 1.814 8.365 2.329 1.00 0.00 H new ATOM 0 HB3 PRO A 67 0.337 8.737 3.195 1.00 0.00 H new ATOM 0 HG2 PRO A 67 1.756 6.168 2.968 1.00 0.00 H new ATOM 0 HG3 PRO A 67 0.560 6.668 4.147 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -0.006 4.811 2.239 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -1.236 5.898 2.852 1.00 0.00 H new ATOM 1133 N LEU A 68 0.438 9.682 -0.378 1.00 0.00 N ATOM 1134 CA LEU A 68 1.081 10.386 -1.459 1.00 0.00 C ATOM 1135 C LEU A 68 2.594 10.448 -1.259 1.00 0.00 C ATOM 1136 O LEU A 68 3.359 10.322 -2.215 1.00 0.00 O ATOM 1137 CB LEU A 68 0.484 11.781 -1.493 1.00 0.00 C ATOM 1138 CG LEU A 68 -0.536 12.014 -2.600 1.00 0.00 C ATOM 1139 CD1 LEU A 68 -1.043 13.448 -2.569 1.00 0.00 C ATOM 1140 CD2 LEU A 68 0.065 11.685 -3.960 1.00 0.00 C ATOM 0 H LEU A 68 -0.349 10.187 0.029 1.00 0.00 H new ATOM 0 HA LEU A 68 0.915 9.868 -2.403 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.009 11.981 -0.533 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.292 12.504 -1.605 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.383 11.349 -2.431 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.770 13.594 -3.367 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -1.515 13.646 -1.607 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -0.207 14.133 -2.710 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -0.679 11.858 -4.738 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.931 12.322 -4.139 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.373 10.640 -3.978 1.00 0.00 H new ATOM 1152 N LYS A 69 3.018 10.622 -0.013 1.00 0.00 N ATOM 1153 CA LYS A 69 4.440 10.677 0.304 1.00 0.00 C ATOM 1154 C LYS A 69 5.055 9.289 0.168 1.00 0.00 C ATOM 1155 O LYS A 69 6.119 9.118 -0.432 1.00 0.00 O ATOM 1156 CB LYS A 69 4.655 11.215 1.720 1.00 0.00 C ATOM 1157 CG LYS A 69 3.927 10.421 2.794 1.00 0.00 C ATOM 1158 CD LYS A 69 4.187 10.990 4.179 1.00 0.00 C ATOM 1159 CE LYS A 69 3.269 12.164 4.483 1.00 0.00 C ATOM 1160 NZ LYS A 69 2.409 11.902 5.670 1.00 0.00 N ATOM 0 H LYS A 69 2.400 10.727 0.792 1.00 0.00 H new ATOM 0 HA LYS A 69 4.929 11.353 -0.397 1.00 0.00 H new ATOM 0 HB2 LYS A 69 5.722 11.214 1.941 1.00 0.00 H new ATOM 0 HB3 LYS A 69 4.322 12.252 1.759 1.00 0.00 H new ATOM 0 HG2 LYS A 69 2.856 10.429 2.591 1.00 0.00 H new ATOM 0 HG3 LYS A 69 4.250 9.380 2.760 1.00 0.00 H new ATOM 0 HD2 LYS A 69 4.041 10.210 4.927 1.00 0.00 H new ATOM 0 HD3 LYS A 69 5.226 11.311 4.252 1.00 0.00 H new ATOM 0 HE2 LYS A 69 3.868 13.058 4.659 1.00 0.00 H new ATOM 0 HE3 LYS A 69 2.640 12.367 3.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 1.798 12.725 5.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 1.819 11.064 5.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 3.009 11.733 6.503 1.00 0.00 H new ATOM 1174 N HIS A 70 4.363 8.296 0.716 1.00 0.00 N ATOM 1175 CA HIS A 70 4.823 6.919 0.647 1.00 0.00 C ATOM 1176 C HIS A 70 4.799 6.428 -0.795 1.00 0.00 C ATOM 1177 O HIS A 70 5.549 5.525 -1.164 1.00 0.00 O ATOM 1178 CB HIS A 70 3.958 6.021 1.529 1.00 0.00 C ATOM 1179 CG HIS A 70 4.220 6.198 2.992 1.00 0.00 C ATOM 1180 ND1 HIS A 70 3.688 5.373 3.961 1.00 0.00 N ATOM 1181 CD2 HIS A 70 4.966 7.116 3.652 1.00 0.00 C ATOM 1182 CE1 HIS A 70 4.095 5.775 5.151 1.00 0.00 C ATOM 1183 NE2 HIS A 70 4.872 6.829 4.992 1.00 0.00 N ATOM 0 H HIS A 70 3.481 8.422 1.213 1.00 0.00 H new ATOM 0 HA HIS A 70 5.849 6.877 1.014 1.00 0.00 H new ATOM 0 HB2 HIS A 70 2.907 6.229 1.327 1.00 0.00 H new ATOM 0 HB3 HIS A 70 4.134 4.980 1.259 1.00 0.00 H new ATOM 0 HD1 HIS A 70 3.076 4.576 3.786 1.00 0.00 H new ATOM 0 HD2 HIS A 70 5.530 7.923 3.208 1.00 0.00 H new ATOM 0 HE1 HIS A 70 3.836 5.318 6.095 1.00 0.00 H new ATOM 1192 N GLN A 71 3.943 7.039 -1.612 1.00 0.00 N ATOM 1193 CA GLN A 71 3.839 6.674 -3.018 1.00 0.00 C ATOM 1194 C GLN A 71 5.172 6.916 -3.713 1.00 0.00 C ATOM 1195 O GLN A 71 5.728 6.020 -4.351 1.00 0.00 O ATOM 1196 CB GLN A 71 2.734 7.486 -3.699 1.00 0.00 C ATOM 1197 CG GLN A 71 1.395 6.767 -3.753 1.00 0.00 C ATOM 1198 CD GLN A 71 0.514 7.262 -4.883 1.00 0.00 C ATOM 1199 OE1 GLN A 71 -0.233 8.228 -4.725 1.00 0.00 O ATOM 1200 NE2 GLN A 71 0.596 6.601 -6.031 1.00 0.00 N ATOM 0 H GLN A 71 3.314 7.788 -1.322 1.00 0.00 H new ATOM 0 HA GLN A 71 3.586 5.616 -3.090 1.00 0.00 H new ATOM 0 HB2 GLN A 71 2.609 8.430 -3.168 1.00 0.00 H new ATOM 0 HB3 GLN A 71 3.047 7.730 -4.714 1.00 0.00 H new ATOM 0 HG2 GLN A 71 1.566 5.697 -3.872 1.00 0.00 H new ATOM 0 HG3 GLN A 71 0.875 6.903 -2.805 1.00 0.00 H new ATOM 0 HE21 GLN A 71 1.229 5.806 -6.118 1.00 0.00 H new ATOM 0 HE22 GLN A 71 0.026 6.888 -6.827 1.00 0.00 H new ATOM 1209 N VAL A 72 5.691 8.131 -3.566 1.00 0.00 N ATOM 1210 CA VAL A 72 6.972 8.487 -4.162 1.00 0.00 C ATOM 1211 C VAL A 72 8.059 7.561 -3.643 1.00 0.00 C ATOM 1212 O VAL A 72 8.810 6.970 -4.418 1.00 0.00 O ATOM 1213 CB VAL A 72 7.369 9.939 -3.847 1.00 0.00 C ATOM 1214 CG1 VAL A 72 8.497 10.393 -4.761 1.00 0.00 C ATOM 1215 CG2 VAL A 72 6.170 10.869 -3.966 1.00 0.00 C ATOM 0 H VAL A 72 5.245 8.883 -3.041 1.00 0.00 H new ATOM 0 HA VAL A 72 6.865 8.385 -5.242 1.00 0.00 H new ATOM 0 HB VAL A 72 7.724 9.979 -2.817 1.00 0.00 H new ATOM 0 HG11 VAL A 72 8.765 11.423 -4.524 1.00 0.00 H new ATOM 0 HG12 VAL A 72 9.365 9.749 -4.615 1.00 0.00 H new ATOM 0 HG13 VAL A 72 8.171 10.333 -5.799 1.00 0.00 H new ATOM 0 HG21 VAL A 72 6.477 11.890 -3.738 1.00 0.00 H new ATOM 0 HG22 VAL A 72 5.776 10.827 -4.981 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.397 10.558 -3.264 1.00 0.00 H new ATOM 1225 N GLU A 73 8.126 7.421 -2.318 1.00 0.00 N ATOM 1226 CA GLU A 73 9.113 6.543 -1.703 1.00 0.00 C ATOM 1227 C GLU A 73 8.926 5.128 -2.223 1.00 0.00 C ATOM 1228 O GLU A 73 9.895 4.408 -2.464 1.00 0.00 O ATOM 1229 CB GLU A 73 8.991 6.573 -0.179 1.00 0.00 C ATOM 1230 CG GLU A 73 10.128 5.861 0.537 1.00 0.00 C ATOM 1231 CD GLU A 73 9.979 5.892 2.045 1.00 0.00 C ATOM 1232 OE1 GLU A 73 8.932 5.430 2.547 1.00 0.00 O ATOM 1233 OE2 GLU A 73 10.907 6.377 2.723 1.00 0.00 O ATOM 0 H GLU A 73 7.513 7.901 -1.659 1.00 0.00 H new ATOM 0 HA GLU A 73 10.111 6.894 -1.966 1.00 0.00 H new ATOM 0 HB2 GLU A 73 8.956 7.610 0.154 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.046 6.113 0.111 1.00 0.00 H new ATOM 0 HG2 GLU A 73 10.171 4.825 0.201 1.00 0.00 H new ATOM 0 HG3 GLU A 73 11.074 6.326 0.260 1.00 0.00 H new ATOM 1240 N TYR A 74 7.668 4.750 -2.440 1.00 0.00 N ATOM 1241 CA TYR A 74 7.358 3.440 -2.984 1.00 0.00 C ATOM 1242 C TYR A 74 8.057 3.298 -4.324 1.00 0.00 C ATOM 1243 O TYR A 74 8.506 2.216 -4.698 1.00 0.00 O ATOM 1244 CB TYR A 74 5.847 3.264 -3.152 1.00 0.00 C ATOM 1245 CG TYR A 74 5.421 1.829 -3.362 1.00 0.00 C ATOM 1246 CD1 TYR A 74 5.667 1.179 -4.565 1.00 0.00 C ATOM 1247 CD2 TYR A 74 4.772 1.124 -2.356 1.00 0.00 C ATOM 1248 CE1 TYR A 74 5.278 -0.132 -4.760 1.00 0.00 C ATOM 1249 CE2 TYR A 74 4.382 -0.189 -2.543 1.00 0.00 C ATOM 1250 CZ TYR A 74 4.636 -0.811 -3.746 1.00 0.00 C ATOM 1251 OH TYR A 74 4.248 -2.118 -3.937 1.00 0.00 O ATOM 0 H TYR A 74 6.854 5.333 -2.247 1.00 0.00 H new ATOM 0 HA TYR A 74 7.706 2.669 -2.297 1.00 0.00 H new ATOM 0 HB2 TYR A 74 5.344 3.657 -2.268 1.00 0.00 H new ATOM 0 HB3 TYR A 74 5.513 3.861 -4.001 1.00 0.00 H new ATOM 0 HD1 TYR A 74 6.171 1.707 -5.361 1.00 0.00 H new ATOM 0 HD2 TYR A 74 4.569 1.609 -1.413 1.00 0.00 H new ATOM 0 HE1 TYR A 74 5.476 -0.623 -5.702 1.00 0.00 H new ATOM 0 HE2 TYR A 74 3.881 -0.725 -1.750 1.00 0.00 H new ATOM 0 HH TYR A 74 3.366 -2.260 -3.533 1.00 0.00 H new ATOM 1261 N ASP A 75 8.163 4.421 -5.033 1.00 0.00 N ATOM 1262 CA ASP A 75 8.830 4.446 -6.321 1.00 0.00 C ATOM 1263 C ASP A 75 10.341 4.325 -6.132 1.00 0.00 C ATOM 1264 O ASP A 75 10.998 3.514 -6.785 1.00 0.00 O ATOM 1265 CB ASP A 75 8.494 5.738 -7.071 1.00 0.00 C ATOM 1266 CG ASP A 75 7.627 5.488 -8.289 1.00 0.00 C ATOM 1267 OD1 ASP A 75 6.399 5.344 -8.125 1.00 0.00 O ATOM 1268 OD2 ASP A 75 8.179 5.436 -9.410 1.00 0.00 O ATOM 0 H ASP A 75 7.793 5.323 -4.732 1.00 0.00 H new ATOM 0 HA ASP A 75 8.479 3.600 -6.912 1.00 0.00 H new ATOM 0 HB2 ASP A 75 7.980 6.424 -6.397 1.00 0.00 H new ATOM 0 HB3 ASP A 75 9.418 6.227 -7.380 1.00 0.00 H new ATOM 1273 N GLN A 76 10.885 5.135 -5.230 1.00 0.00 N ATOM 1274 CA GLN A 76 12.316 5.108 -4.953 1.00 0.00 C ATOM 1275 C GLN A 76 12.737 3.790 -4.307 1.00 0.00 C ATOM 1276 O GLN A 76 13.923 3.462 -4.267 1.00 0.00 O ATOM 1277 CB GLN A 76 12.699 6.276 -4.042 1.00 0.00 C ATOM 1278 CG GLN A 76 12.109 7.608 -4.475 1.00 0.00 C ATOM 1279 CD GLN A 76 13.146 8.537 -5.079 1.00 0.00 C ATOM 1280 OE1 GLN A 76 14.049 8.097 -5.790 1.00 0.00 O ATOM 1281 NE2 GLN A 76 13.019 9.828 -4.799 1.00 0.00 N ATOM 0 H GLN A 76 10.359 5.815 -4.681 1.00 0.00 H new ATOM 0 HA GLN A 76 12.839 5.201 -5.905 1.00 0.00 H new ATOM 0 HB2 GLN A 76 12.370 6.056 -3.026 1.00 0.00 H new ATOM 0 HB3 GLN A 76 13.785 6.362 -4.014 1.00 0.00 H new ATOM 0 HG2 GLN A 76 11.317 7.431 -5.203 1.00 0.00 H new ATOM 0 HG3 GLN A 76 11.648 8.094 -3.615 1.00 0.00 H new ATOM 0 HE21 GLN A 76 12.254 10.148 -4.205 1.00 0.00 H new ATOM 0 HE22 GLN A 76 13.686 10.500 -5.178 1.00 0.00 H new ATOM 1290 N LEU A 77 11.766 3.042 -3.784 1.00 0.00 N ATOM 1291 CA LEU A 77 12.053 1.776 -3.123 1.00 0.00 C ATOM 1292 C LEU A 77 11.810 0.580 -4.036 1.00 0.00 C ATOM 1293 O LEU A 77 12.598 -0.366 -4.056 1.00 0.00 O ATOM 1294 CB LEU A 77 11.207 1.637 -1.857 1.00 0.00 C ATOM 1295 CG LEU A 77 11.615 2.553 -0.702 1.00 0.00 C ATOM 1296 CD1 LEU A 77 10.652 2.400 0.467 1.00 0.00 C ATOM 1297 CD2 LEU A 77 13.041 2.252 -0.262 1.00 0.00 C ATOM 0 H LEU A 77 10.777 3.293 -3.807 1.00 0.00 H new ATOM 0 HA LEU A 77 13.111 1.784 -2.862 1.00 0.00 H new ATOM 0 HB2 LEU A 77 10.166 1.838 -2.110 1.00 0.00 H new ATOM 0 HB3 LEU A 77 11.258 0.603 -1.516 1.00 0.00 H new ATOM 0 HG LEU A 77 11.572 3.585 -1.049 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.958 3.059 1.279 1.00 0.00 H new ATOM 0 HD12 LEU A 77 9.645 2.664 0.145 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.663 1.367 0.815 1.00 0.00 H new ATOM 0 HD21 LEU A 77 13.315 2.913 0.560 1.00 0.00 H new ATOM 0 HD22 LEU A 77 13.109 1.215 0.067 1.00 0.00 H new ATOM 0 HD23 LEU A 77 13.721 2.412 -1.098 1.00 0.00 H new ATOM 1398 N ARG B 103 -5.952 6.892 6.217 1.00 0.00 N ATOM 1399 CA ARG B 103 -7.357 6.515 6.321 1.00 0.00 C ATOM 1400 C ARG B 103 -7.668 5.338 5.404 1.00 0.00 C ATOM 1401 O ARG B 103 -8.484 4.476 5.736 1.00 0.00 O ATOM 1402 CB ARG B 103 -8.252 7.704 5.969 1.00 0.00 C ATOM 1403 CG ARG B 103 -9.686 7.548 6.448 1.00 0.00 C ATOM 1404 CD ARG B 103 -10.396 8.891 6.529 1.00 0.00 C ATOM 1405 NE ARG B 103 -11.135 9.043 7.781 1.00 0.00 N ATOM 1406 CZ ARG B 103 -11.598 10.207 8.230 1.00 0.00 C ATOM 1407 NH1 ARG B 103 -11.399 11.321 7.537 1.00 0.00 N ATOM 1408 NH2 ARG B 103 -12.261 10.259 9.379 1.00 0.00 N ATOM 0 HA ARG B 103 -7.555 6.215 7.350 1.00 0.00 H new ATOM 0 HB2 ARG B 103 -7.828 8.609 6.405 1.00 0.00 H new ATOM 0 HB3 ARG B 103 -8.252 7.841 4.888 1.00 0.00 H new ATOM 0 HG2 ARG B 103 -10.228 6.889 5.769 1.00 0.00 H new ATOM 0 HG3 ARG B 103 -9.693 7.072 7.428 1.00 0.00 H new ATOM 0 HD2 ARG B 103 -9.665 9.694 6.440 1.00 0.00 H new ATOM 0 HD3 ARG B 103 -11.082 8.990 5.688 1.00 0.00 H new ATOM 0 HE ARG B 103 -11.306 8.209 8.343 1.00 0.00 H new ATOM 0 HH11 ARG B 103 -10.889 11.288 6.655 1.00 0.00 H new ATOM 0 HH12 ARG B 103 -11.757 12.210 7.887 1.00 0.00 H new ATOM 0 HH21 ARG B 103 -12.415 9.407 9.918 1.00 0.00 H new ATOM 0 HH22 ARG B 103 -12.616 11.151 9.723 1.00 0.00 H new ATOM 1422 N TYR B 104 -7.011 5.304 4.249 1.00 0.00 N ATOM 1423 CA TYR B 104 -7.216 4.230 3.283 1.00 0.00 C ATOM 1424 C TYR B 104 -6.798 2.887 3.873 1.00 0.00 C ATOM 1425 O TYR B 104 -7.521 1.897 3.763 1.00 0.00 O ATOM 1426 CB TYR B 104 -6.421 4.506 2.006 1.00 0.00 C ATOM 1427 CG TYR B 104 -6.908 5.714 1.238 1.00 0.00 C ATOM 1428 CD1 TYR B 104 -6.521 6.997 1.605 1.00 0.00 C ATOM 1429 CD2 TYR B 104 -7.754 5.572 0.145 1.00 0.00 C ATOM 1430 CE1 TYR B 104 -6.964 8.104 0.906 1.00 0.00 C ATOM 1431 CE2 TYR B 104 -8.199 6.674 -0.561 1.00 0.00 C ATOM 1432 CZ TYR B 104 -7.802 7.937 -0.176 1.00 0.00 C ATOM 1433 OH TYR B 104 -8.245 9.037 -0.876 1.00 0.00 O ATOM 0 H TYR B 104 -6.332 6.008 3.959 1.00 0.00 H new ATOM 0 HA TYR B 104 -8.278 4.189 3.040 1.00 0.00 H new ATOM 0 HB2 TYR B 104 -5.372 4.649 2.265 1.00 0.00 H new ATOM 0 HB3 TYR B 104 -6.473 3.630 1.359 1.00 0.00 H new ATOM 0 HD1 TYR B 104 -5.863 7.132 2.451 1.00 0.00 H new ATOM 0 HD2 TYR B 104 -8.069 4.584 -0.158 1.00 0.00 H new ATOM 0 HE1 TYR B 104 -6.655 9.095 1.206 1.00 0.00 H new ATOM 0 HE2 TYR B 104 -8.854 6.546 -1.410 1.00 0.00 H new ATOM 0 HH TYR B 104 -8.826 8.746 -1.609 1.00 0.00 H new ATOM 1443 N LEU B 105 -5.627 2.863 4.501 1.00 0.00 N ATOM 1444 CA LEU B 105 -5.112 1.642 5.111 1.00 0.00 C ATOM 1445 C LEU B 105 -6.077 1.116 6.168 1.00 0.00 C ATOM 1446 O LEU B 105 -6.465 -0.050 6.142 1.00 0.00 O ATOM 1447 CB LEU B 105 -3.738 1.900 5.734 1.00 0.00 C ATOM 1448 CG LEU B 105 -2.547 1.520 4.856 1.00 0.00 C ATOM 1449 CD1 LEU B 105 -2.594 0.042 4.500 1.00 0.00 C ATOM 1450 CD2 LEU B 105 -2.520 2.374 3.597 1.00 0.00 C ATOM 0 H LEU B 105 -5.017 3.674 4.601 1.00 0.00 H new ATOM 0 HA LEU B 105 -5.011 0.887 4.331 1.00 0.00 H new ATOM 0 HB2 LEU B 105 -3.662 2.958 5.984 1.00 0.00 H new ATOM 0 HB3 LEU B 105 -3.671 1.346 6.670 1.00 0.00 H new ATOM 0 HG LEU B 105 -1.632 1.707 5.418 1.00 0.00 H new ATOM 0 HD11 LEU B 105 -1.737 -0.209 3.874 1.00 0.00 H new ATOM 0 HD12 LEU B 105 -2.564 -0.553 5.413 1.00 0.00 H new ATOM 0 HD13 LEU B 105 -3.515 -0.172 3.958 1.00 0.00 H new ATOM 0 HD21 LEU B 105 -1.665 2.090 2.983 1.00 0.00 H new ATOM 0 HD22 LEU B 105 -3.440 2.219 3.033 1.00 0.00 H new ATOM 0 HD23 LEU B 105 -2.436 3.425 3.872 1.00 0.00 H new ATOM 1462 N ARG B 106 -6.463 1.985 7.095 1.00 0.00 N ATOM 1463 CA ARG B 106 -7.387 1.608 8.159 1.00 0.00 C ATOM 1464 C ARG B 106 -8.723 1.154 7.581 1.00 0.00 C ATOM 1465 O ARG B 106 -9.394 0.290 8.146 1.00 0.00 O ATOM 1466 CB ARG B 106 -7.603 2.783 9.115 1.00 0.00 C ATOM 1467 CG ARG B 106 -6.425 3.039 10.042 1.00 0.00 C ATOM 1468 CD ARG B 106 -6.727 2.592 11.464 1.00 0.00 C ATOM 1469 NE ARG B 106 -7.247 3.685 12.281 1.00 0.00 N ATOM 1470 CZ ARG B 106 -6.542 4.767 12.607 1.00 0.00 C ATOM 1471 NH1 ARG B 106 -5.290 4.901 12.190 1.00 0.00 N ATOM 1472 NH2 ARG B 106 -7.091 5.716 13.353 1.00 0.00 N ATOM 0 H ARG B 106 -6.151 2.955 7.132 1.00 0.00 H new ATOM 0 HA ARG B 106 -6.949 0.776 8.711 1.00 0.00 H new ATOM 0 HB2 ARG B 106 -7.798 3.683 8.532 1.00 0.00 H new ATOM 0 HB3 ARG B 106 -8.492 2.593 9.716 1.00 0.00 H new ATOM 0 HG2 ARG B 106 -5.547 2.509 9.672 1.00 0.00 H new ATOM 0 HG3 ARG B 106 -6.181 4.101 10.037 1.00 0.00 H new ATOM 0 HD2 ARG B 106 -7.452 1.779 11.442 1.00 0.00 H new ATOM 0 HD3 ARG B 106 -5.819 2.198 11.921 1.00 0.00 H new ATOM 0 HE ARG B 106 -8.206 3.616 12.622 1.00 0.00 H new ATOM 0 HH11 ARG B 106 -4.863 4.173 11.617 1.00 0.00 H new ATOM 0 HH12 ARG B 106 -4.755 5.732 12.442 1.00 0.00 H new ATOM 0 HH21 ARG B 106 -8.053 5.617 13.677 1.00 0.00 H new ATOM 0 HH22 ARG B 106 -6.551 6.545 13.603 1.00 0.00 H new ATOM 1486 N GLU B 107 -9.105 1.744 6.452 1.00 0.00 N ATOM 1487 CA GLU B 107 -10.363 1.400 5.798 1.00 0.00 C ATOM 1488 C GLU B 107 -10.394 -0.076 5.416 1.00 0.00 C ATOM 1489 O GLU B 107 -11.280 -0.819 5.840 1.00 0.00 O ATOM 1490 CB GLU B 107 -10.567 2.268 4.553 1.00 0.00 C ATOM 1491 CG GLU B 107 -11.497 3.449 4.781 1.00 0.00 C ATOM 1492 CD GLU B 107 -12.868 3.237 4.172 1.00 0.00 C ATOM 1493 OE1 GLU B 107 -12.944 3.010 2.945 1.00 0.00 O ATOM 1494 OE2 GLU B 107 -13.867 3.296 4.919 1.00 0.00 O ATOM 0 H GLU B 107 -8.562 2.462 5.972 1.00 0.00 H new ATOM 0 HA GLU B 107 -11.174 1.589 6.502 1.00 0.00 H new ATOM 0 HB2 GLU B 107 -9.599 2.638 4.216 1.00 0.00 H new ATOM 0 HB3 GLU B 107 -10.969 1.649 3.751 1.00 0.00 H new ATOM 0 HG2 GLU B 107 -11.602 3.622 5.852 1.00 0.00 H new ATOM 0 HG3 GLU B 107 -11.049 4.347 4.355 1.00 0.00 H new ATOM 1501 N ALA B 108 -9.422 -0.496 4.613 1.00 0.00 N ATOM 1502 CA ALA B 108 -9.339 -1.886 4.176 1.00 0.00 C ATOM 1503 C ALA B 108 -8.905 -2.795 5.319 1.00 0.00 C ATOM 1504 O ALA B 108 -9.442 -3.888 5.496 1.00 0.00 O ATOM 1505 CB ALA B 108 -8.379 -2.013 3.004 1.00 0.00 C ATOM 0 H ALA B 108 -8.681 0.105 4.252 1.00 0.00 H new ATOM 0 HA ALA B 108 -10.332 -2.200 3.854 1.00 0.00 H new ATOM 0 HB1 ALA B 108 -8.326 -3.055 2.688 1.00 0.00 H new ATOM 0 HB2 ALA B 108 -8.733 -1.400 2.175 1.00 0.00 H new ATOM 0 HB3 ALA B 108 -7.388 -1.675 3.307 1.00 0.00 H new ATOM 1511 N ILE B 109 -7.928 -2.334 6.094 1.00 0.00 N ATOM 1512 CA ILE B 109 -7.416 -3.099 7.224 1.00 0.00 C ATOM 1513 C ILE B 109 -8.535 -3.428 8.212 1.00 0.00 C ATOM 1514 O ILE B 109 -8.767 -4.593 8.538 1.00 0.00 O ATOM 1515 CB ILE B 109 -6.288 -2.328 7.948 1.00 0.00 C ATOM 1516 CG1 ILE B 109 -5.022 -2.316 7.088 1.00 0.00 C ATOM 1517 CG2 ILE B 109 -5.992 -2.934 9.314 1.00 0.00 C ATOM 1518 CD1 ILE B 109 -3.894 -1.502 7.683 1.00 0.00 C ATOM 0 H ILE B 109 -7.474 -1.431 5.959 1.00 0.00 H new ATOM 0 HA ILE B 109 -7.008 -4.031 6.833 1.00 0.00 H new ATOM 0 HB ILE B 109 -6.625 -1.303 8.102 1.00 0.00 H new ATOM 0 HG12 ILE B 109 -4.682 -3.341 6.943 1.00 0.00 H new ATOM 0 HG13 ILE B 109 -5.266 -1.918 6.103 1.00 0.00 H new ATOM 0 HG21 ILE B 109 -5.195 -2.370 9.797 1.00 0.00 H new ATOM 0 HG22 ILE B 109 -6.890 -2.896 9.931 1.00 0.00 H new ATOM 0 HG23 ILE B 109 -5.680 -3.971 9.192 1.00 0.00 H new ATOM 0 HD11 ILE B 109 -3.030 -1.539 7.020 1.00 0.00 H new ATOM 0 HD12 ILE B 109 -4.216 -0.467 7.803 1.00 0.00 H new ATOM 0 HD13 ILE B 109 -3.623 -1.913 8.656 1.00 0.00 H new ATOM 1530 N GLN B 110 -9.228 -2.397 8.682 1.00 0.00 N ATOM 1531 CA GLN B 110 -10.321 -2.586 9.627 1.00 0.00 C ATOM 1532 C GLN B 110 -11.454 -3.375 8.990 1.00 0.00 C ATOM 1533 O GLN B 110 -12.116 -4.174 9.652 1.00 0.00 O ATOM 1534 CB GLN B 110 -10.835 -1.237 10.132 1.00 0.00 C ATOM 1535 CG GLN B 110 -11.410 -1.292 11.537 1.00 0.00 C ATOM 1536 CD GLN B 110 -12.585 -0.351 11.725 1.00 0.00 C ATOM 1537 OE1 GLN B 110 -12.414 0.866 11.799 1.00 0.00 O ATOM 1538 NE2 GLN B 110 -13.786 -0.912 11.806 1.00 0.00 N ATOM 0 H GLN B 110 -9.053 -1.426 8.425 1.00 0.00 H new ATOM 0 HA GLN B 110 -9.940 -3.154 10.476 1.00 0.00 H new ATOM 0 HB2 GLN B 110 -10.018 -0.516 10.111 1.00 0.00 H new ATOM 0 HB3 GLN B 110 -11.601 -0.871 9.449 1.00 0.00 H new ATOM 0 HG2 GLN B 110 -11.727 -2.312 11.756 1.00 0.00 H new ATOM 0 HG3 GLN B 110 -10.629 -1.040 12.255 1.00 0.00 H new ATOM 0 HE21 GLN B 110 -13.881 -1.925 11.740 1.00 0.00 H new ATOM 0 HE22 GLN B 110 -14.613 -0.329 11.935 1.00 0.00 H new ATOM 1547 N GLU B 111 -11.667 -3.163 7.696 1.00 0.00 N ATOM 1548 CA GLU B 111 -12.715 -3.875 6.976 1.00 0.00 C ATOM 1549 C GLU B 111 -12.520 -5.374 7.131 1.00 0.00 C ATOM 1550 O GLU B 111 -13.475 -6.121 7.345 1.00 0.00 O ATOM 1551 CB GLU B 111 -12.708 -3.492 5.494 1.00 0.00 C ATOM 1552 CG GLU B 111 -13.840 -4.122 4.699 1.00 0.00 C ATOM 1553 CD GLU B 111 -14.889 -3.112 4.274 1.00 0.00 C ATOM 1554 OE1 GLU B 111 -14.994 -2.054 4.929 1.00 0.00 O ATOM 1555 OE2 GLU B 111 -15.604 -3.379 3.286 1.00 0.00 O ATOM 0 H GLU B 111 -11.131 -2.508 7.127 1.00 0.00 H new ATOM 0 HA GLU B 111 -13.680 -3.594 7.398 1.00 0.00 H new ATOM 0 HB2 GLU B 111 -12.773 -2.407 5.407 1.00 0.00 H new ATOM 0 HB3 GLU B 111 -11.756 -3.790 5.054 1.00 0.00 H new ATOM 0 HG2 GLU B 111 -13.430 -4.608 3.814 1.00 0.00 H new ATOM 0 HG3 GLU B 111 -14.312 -4.899 5.300 1.00 0.00 H new ATOM 1562 N TYR B 112 -11.267 -5.805 7.048 1.00 0.00 N ATOM 1563 CA TYR B 112 -10.936 -7.210 7.207 1.00 0.00 C ATOM 1564 C TYR B 112 -11.093 -7.610 8.663 1.00 0.00 C ATOM 1565 O TYR B 112 -11.496 -8.732 8.971 1.00 0.00 O ATOM 1566 CB TYR B 112 -9.510 -7.488 6.728 1.00 0.00 C ATOM 1567 CG TYR B 112 -9.305 -8.895 6.213 1.00 0.00 C ATOM 1568 CD1 TYR B 112 -10.199 -9.460 5.313 1.00 0.00 C ATOM 1569 CD2 TYR B 112 -8.221 -9.656 6.629 1.00 0.00 C ATOM 1570 CE1 TYR B 112 -10.018 -10.748 4.841 1.00 0.00 C ATOM 1571 CE2 TYR B 112 -8.032 -10.943 6.159 1.00 0.00 C ATOM 1572 CZ TYR B 112 -8.932 -11.484 5.266 1.00 0.00 C ATOM 1573 OH TYR B 112 -8.748 -12.763 4.798 1.00 0.00 O ATOM 0 H TYR B 112 -10.466 -5.199 6.871 1.00 0.00 H new ATOM 0 HA TYR B 112 -11.618 -7.803 6.598 1.00 0.00 H new ATOM 0 HB2 TYR B 112 -9.257 -6.781 5.938 1.00 0.00 H new ATOM 0 HB3 TYR B 112 -8.818 -7.307 7.551 1.00 0.00 H new ATOM 0 HD1 TYR B 112 -11.049 -8.885 4.976 1.00 0.00 H new ATOM 0 HD2 TYR B 112 -7.515 -9.237 7.330 1.00 0.00 H new ATOM 0 HE1 TYR B 112 -10.724 -11.175 4.143 1.00 0.00 H new ATOM 0 HE2 TYR B 112 -7.183 -11.522 6.490 1.00 0.00 H new ATOM 0 HH TYR B 112 -8.046 -13.205 5.320 1.00 0.00 H new ATOM 1583 N ASP B 113 -10.793 -6.674 9.564 1.00 0.00 N ATOM 1584 CA ASP B 113 -10.928 -6.930 10.990 1.00 0.00 C ATOM 1585 C ASP B 113 -12.376 -7.277 11.315 1.00 0.00 C ATOM 1586 O ASP B 113 -12.652 -8.056 12.228 1.00 0.00 O ATOM 1587 CB ASP B 113 -10.480 -5.710 11.797 1.00 0.00 C ATOM 1588 CG ASP B 113 -9.579 -6.084 12.959 1.00 0.00 C ATOM 1589 OD1 ASP B 113 -10.021 -6.869 13.824 1.00 0.00 O ATOM 1590 OD2 ASP B 113 -8.433 -5.590 13.004 1.00 0.00 O ATOM 0 H ASP B 113 -10.458 -5.740 9.330 1.00 0.00 H new ATOM 0 HA ASP B 113 -10.291 -7.772 11.260 1.00 0.00 H new ATOM 0 HB2 ASP B 113 -9.953 -5.017 11.141 1.00 0.00 H new ATOM 0 HB3 ASP B 113 -11.358 -5.186 12.175 1.00 0.00 H new ATOM 1595 N ASN B 114 -13.298 -6.698 10.547 1.00 0.00 N ATOM 1596 CA ASN B 114 -14.720 -6.948 10.737 1.00 0.00 C ATOM 1597 C ASN B 114 -15.132 -8.247 10.051 1.00 0.00 C ATOM 1598 O ASN B 114 -16.000 -8.968 10.541 1.00 0.00 O ATOM 1599 CB ASN B 114 -15.543 -5.782 10.187 1.00 0.00 C ATOM 1600 CG ASN B 114 -15.684 -4.651 11.186 1.00 0.00 C ATOM 1601 OD1 ASN B 114 -15.606 -4.864 12.397 1.00 0.00 O ATOM 1602 ND2 ASN B 114 -15.892 -3.440 10.683 1.00 0.00 N ATOM 0 H ASN B 114 -13.082 -6.052 9.787 1.00 0.00 H new ATOM 0 HA ASN B 114 -14.912 -7.042 11.806 1.00 0.00 H new ATOM 0 HB2 ASN B 114 -15.072 -5.405 9.280 1.00 0.00 H new ATOM 0 HB3 ASN B 114 -16.533 -6.141 9.906 1.00 0.00 H new ATOM 0 HD21 ASN B 114 -15.994 -2.639 11.307 1.00 0.00 H new ATOM 0 HD22 ASN B 114 -15.950 -3.310 9.673 1.00 0.00 H new ATOM 1609 N ILE B 115 -14.503 -8.539 8.915 1.00 0.00 N ATOM 1610 CA ILE B 115 -14.806 -9.752 8.168 1.00 0.00 C ATOM 1611 C ILE B 115 -14.312 -10.990 8.910 1.00 0.00 C ATOM 1612 O ILE B 115 -14.935 -12.049 8.857 1.00 0.00 O ATOM 1613 CB ILE B 115 -14.173 -9.715 6.761 1.00 0.00 C ATOM 1614 CG1 ILE B 115 -14.675 -8.496 5.984 1.00 0.00 C ATOM 1615 CG2 ILE B 115 -14.487 -10.995 6.000 1.00 0.00 C ATOM 1616 CD1 ILE B 115 -13.680 -7.975 4.970 1.00 0.00 C ATOM 0 H ILE B 115 -13.782 -7.952 8.494 1.00 0.00 H new ATOM 0 HA ILE B 115 -15.890 -9.804 8.067 1.00 0.00 H new ATOM 0 HB ILE B 115 -13.091 -9.637 6.871 1.00 0.00 H new ATOM 0 HG12 ILE B 115 -15.601 -8.758 5.472 1.00 0.00 H new ATOM 0 HG13 ILE B 115 -14.915 -7.700 6.688 1.00 0.00 H new ATOM 0 HG21 ILE B 115 -14.033 -10.951 5.010 1.00 0.00 H new ATOM 0 HG22 ILE B 115 -14.087 -11.850 6.545 1.00 0.00 H new ATOM 0 HG23 ILE B 115 -15.567 -11.103 5.899 1.00 0.00 H new ATOM 0 HD11 ILE B 115 -14.102 -7.111 4.457 1.00 0.00 H new ATOM 0 HD12 ILE B 115 -12.762 -7.682 5.479 1.00 0.00 H new ATOM 0 HD13 ILE B 115 -13.458 -8.756 4.243 1.00 0.00 H new