USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 703 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 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 102 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 19 SER OG : rot -17:sc= 0.627 USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 162:sc= -0.0531 (180deg=-0.568) USER MOD Single : A 27 LYS NZ :NH3+ 160:sc= -0.0865 (180deg=-0.624) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 37 HIS : no HD1:sc= -1.27! C(o=-1.3!,f=-3.7!) USER MOD Single : A 41 ASN : amide:sc= -0.399 K(o=-0.4,f=-5.8!) USER MOD Single : A 44 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 45 HIS : no HD1:sc= -0.759 K(o=-0.76,f=-1.9!) USER MOD Single : A 53 GLN :FLIP amide:sc= -1.22 F(o=-4!,f=-1.2) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 CYS SG : rot -53:sc= 1.25 USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 156:sc= -0.16 (180deg=-0.85) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= 0.48 X(o=0.48,f=0) USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 MET CE :methyl 148:sc= -0.0734 (180deg=-0.767) USER MOD Single : A 90 HIS : no HD1:sc= -0.077 X(o=-0.077,f=0) USER MOD Single : A 95 GLN :FLIP amide:sc= -1.6 F(o=-2.1,f=-1.6) USER MOD Single : A 96 LYS NZ :NH3+ -173:sc= -1.42 (180deg=-1.54) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 ASN : amide:sc= -1.49 X(o=-1.5,f=-1.5) USER MOD Single : A 101 ASN :FLIP amide:sc= -0.942 F(o=-3!,f=-0.94) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 12 22.619 -10.917 -14.088 1.00 0.00 N ATOM 2 CA GLY A 12 21.370 -10.704 -13.306 1.00 0.00 C ATOM 3 C GLY A 12 20.180 -11.110 -14.163 1.00 0.00 C ATOM 4 O GLY A 12 20.329 -11.840 -15.143 1.00 0.00 O ATOM 0 HA2 GLY A 12 21.394 -11.293 -12.389 1.00 0.00 H new ATOM 0 HA3 GLY A 12 21.283 -9.658 -13.011 1.00 0.00 H new ATOM 10 N GLY A 13 18.997 -10.624 -13.788 1.00 0.00 N ATOM 11 CA GLY A 13 17.770 -10.927 -14.521 1.00 0.00 C ATOM 12 C GLY A 13 16.578 -10.242 -13.871 1.00 0.00 C ATOM 13 O GLY A 13 16.244 -9.107 -14.214 1.00 0.00 O ATOM 0 H GLY A 13 18.863 -10.018 -12.979 1.00 0.00 H new ATOM 0 HA2 GLY A 13 17.867 -10.597 -15.555 1.00 0.00 H new ATOM 0 HA3 GLY A 13 17.610 -12.005 -14.544 1.00 0.00 H new ATOM 17 N LEU A 14 15.939 -10.946 -12.928 1.00 0.00 N ATOM 18 CA LEU A 14 14.775 -10.415 -12.225 1.00 0.00 C ATOM 19 C LEU A 14 15.235 -9.390 -11.172 1.00 0.00 C ATOM 20 O LEU A 14 15.848 -9.724 -10.151 1.00 0.00 O ATOM 21 CB LEU A 14 13.985 -11.572 -11.566 1.00 0.00 C ATOM 22 CG LEU A 14 13.103 -12.343 -12.611 1.00 0.00 C ATOM 23 CD1 LEU A 14 11.929 -11.455 -13.174 1.00 0.00 C ATOM 24 CD2 LEU A 14 13.998 -12.901 -13.761 1.00 0.00 C ATOM 0 H LEU A 14 16.212 -11.885 -12.638 1.00 0.00 H new ATOM 0 HA LEU A 14 14.115 -9.913 -12.933 1.00 0.00 H new ATOM 0 HB2 LEU A 14 14.681 -12.266 -11.095 1.00 0.00 H new ATOM 0 HB3 LEU A 14 13.348 -11.174 -10.776 1.00 0.00 H new ATOM 0 HG LEU A 14 12.634 -13.181 -12.096 1.00 0.00 H new ATOM 0 HD11 LEU A 14 11.348 -12.033 -13.893 1.00 0.00 H new ATOM 0 HD12 LEU A 14 11.283 -11.142 -12.353 1.00 0.00 H new ATOM 0 HD13 LEU A 14 12.342 -10.575 -13.666 1.00 0.00 H new ATOM 0 HD21 LEU A 14 13.376 -13.434 -14.480 1.00 0.00 H new ATOM 0 HD22 LEU A 14 14.505 -12.075 -14.261 1.00 0.00 H new ATOM 0 HD23 LEU A 14 14.739 -13.584 -13.346 1.00 0.00 H new ATOM 36 N VAL A 15 14.884 -8.133 -11.444 1.00 0.00 N ATOM 37 CA VAL A 15 15.174 -7.014 -10.572 1.00 0.00 C ATOM 38 C VAL A 15 14.050 -6.897 -9.522 1.00 0.00 C ATOM 39 O VAL A 15 14.339 -6.597 -8.362 1.00 0.00 O ATOM 40 CB VAL A 15 15.286 -5.680 -11.392 1.00 0.00 C ATOM 41 CG1 VAL A 15 15.911 -4.561 -10.512 1.00 0.00 C ATOM 42 CG2 VAL A 15 16.133 -5.909 -12.675 1.00 0.00 C ATOM 0 H VAL A 15 14.383 -7.868 -12.292 1.00 0.00 H new ATOM 0 HA VAL A 15 16.130 -7.184 -10.077 1.00 0.00 H new ATOM 0 HB VAL A 15 14.287 -5.364 -11.692 1.00 0.00 H new ATOM 0 HG11 VAL A 15 15.984 -3.641 -11.091 1.00 0.00 H new ATOM 0 HG12 VAL A 15 15.282 -4.391 -9.638 1.00 0.00 H new ATOM 0 HG13 VAL A 15 16.906 -4.866 -10.189 1.00 0.00 H new ATOM 0 HG21 VAL A 15 16.204 -4.977 -13.236 1.00 0.00 H new ATOM 0 HG22 VAL A 15 17.133 -6.242 -12.396 1.00 0.00 H new ATOM 0 HG23 VAL A 15 15.657 -6.669 -13.294 1.00 0.00 H new ATOM 52 N PRO A 16 12.771 -7.097 -9.892 1.00 0.00 N ATOM 53 CA PRO A 16 11.626 -6.954 -8.915 1.00 0.00 C ATOM 54 C PRO A 16 11.827 -7.805 -7.662 1.00 0.00 C ATOM 55 O PRO A 16 11.341 -7.472 -6.585 1.00 0.00 O ATOM 56 CB PRO A 16 10.371 -7.417 -9.719 1.00 0.00 C ATOM 57 CG PRO A 16 10.724 -7.140 -11.150 1.00 0.00 C ATOM 58 CD PRO A 16 12.242 -7.488 -11.241 1.00 0.00 C ATOM 0 HA PRO A 16 11.535 -5.932 -8.547 1.00 0.00 H new ATOM 0 HB2 PRO A 16 10.164 -8.475 -9.558 1.00 0.00 H new ATOM 0 HB3 PRO A 16 9.480 -6.868 -9.416 1.00 0.00 H new ATOM 0 HG2 PRO A 16 10.133 -7.751 -11.832 1.00 0.00 H new ATOM 0 HG3 PRO A 16 10.537 -6.099 -11.412 1.00 0.00 H new ATOM 0 HD2 PRO A 16 12.400 -8.548 -11.443 1.00 0.00 H new ATOM 0 HD3 PRO A 16 12.734 -6.935 -12.041 1.00 0.00 H new ATOM 66 N ARG A 17 12.534 -8.930 -7.830 1.00 0.00 N ATOM 67 CA ARG A 17 12.776 -9.863 -6.720 1.00 0.00 C ATOM 68 C ARG A 17 13.532 -9.167 -5.587 1.00 0.00 C ATOM 69 O ARG A 17 13.185 -9.315 -4.413 1.00 0.00 O ATOM 70 CB ARG A 17 13.580 -11.089 -7.226 1.00 0.00 C ATOM 71 CG ARG A 17 13.716 -12.157 -6.105 1.00 0.00 C ATOM 72 CD ARG A 17 14.500 -13.380 -6.616 1.00 0.00 C ATOM 73 NE ARG A 17 13.769 -14.001 -7.724 1.00 0.00 N ATOM 74 CZ ARG A 17 14.248 -15.065 -8.377 1.00 0.00 C ATOM 75 NH1 ARG A 17 15.397 -15.578 -8.030 1.00 0.00 N ATOM 76 NH2 ARG A 17 13.565 -15.588 -9.359 1.00 0.00 N ATOM 0 H ARG A 17 12.947 -9.216 -8.718 1.00 0.00 H new ATOM 0 HA ARG A 17 11.815 -10.202 -6.334 1.00 0.00 H new ATOM 0 HB2 ARG A 17 13.082 -11.525 -8.092 1.00 0.00 H new ATOM 0 HB3 ARG A 17 14.570 -10.771 -7.554 1.00 0.00 H new ATOM 0 HG2 ARG A 17 14.225 -11.725 -5.243 1.00 0.00 H new ATOM 0 HG3 ARG A 17 12.727 -12.467 -5.768 1.00 0.00 H new ATOM 0 HD2 ARG A 17 15.493 -13.076 -6.946 1.00 0.00 H new ATOM 0 HD3 ARG A 17 14.639 -14.100 -5.809 1.00 0.00 H new ATOM 0 HE ARG A 17 12.870 -13.611 -8.005 1.00 0.00 H new ATOM 0 HH11 ARG A 17 15.928 -15.167 -7.262 1.00 0.00 H new ATOM 0 HH12 ARG A 17 15.764 -16.390 -8.527 1.00 0.00 H new ATOM 0 HH21 ARG A 17 12.667 -15.185 -9.627 1.00 0.00 H new ATOM 0 HH22 ARG A 17 13.929 -16.400 -9.858 1.00 0.00 H new ATOM 90 N GLY A 18 14.574 -8.416 -5.957 1.00 0.00 N ATOM 91 CA GLY A 18 15.393 -7.694 -4.980 1.00 0.00 C ATOM 92 C GLY A 18 14.597 -6.557 -4.363 1.00 0.00 C ATOM 93 O GLY A 18 14.003 -6.715 -3.292 1.00 0.00 O ATOM 0 H GLY A 18 14.870 -8.293 -6.925 1.00 0.00 H new ATOM 0 HA2 GLY A 18 15.728 -8.378 -4.200 1.00 0.00 H new ATOM 0 HA3 GLY A 18 16.287 -7.300 -5.464 1.00 0.00 H new ATOM 97 N SER A 19 14.573 -5.412 -5.050 1.00 0.00 N ATOM 98 CA SER A 19 13.836 -4.237 -4.578 1.00 0.00 C ATOM 99 C SER A 19 13.619 -3.260 -5.737 1.00 0.00 C ATOM 100 O SER A 19 14.520 -3.047 -6.550 1.00 0.00 O ATOM 101 CB SER A 19 14.632 -3.557 -3.452 1.00 0.00 C ATOM 102 OG SER A 19 14.842 -4.494 -2.405 1.00 0.00 O ATOM 0 H SER A 19 15.057 -5.274 -5.937 1.00 0.00 H new ATOM 0 HA SER A 19 12.863 -4.545 -4.194 1.00 0.00 H new ATOM 0 HB2 SER A 19 15.588 -3.196 -3.831 1.00 0.00 H new ATOM 0 HB3 SER A 19 14.089 -2.689 -3.078 1.00 0.00 H new ATOM 0 HG SER A 19 14.222 -5.246 -2.509 1.00 0.00 H new ATOM 108 N HIS A 20 12.426 -2.656 -5.792 1.00 0.00 N ATOM 109 CA HIS A 20 12.097 -1.691 -6.845 1.00 0.00 C ATOM 110 C HIS A 20 10.815 -0.927 -6.477 1.00 0.00 C ATOM 111 O HIS A 20 10.800 0.302 -6.448 1.00 0.00 O ATOM 112 CB HIS A 20 11.918 -2.434 -8.190 1.00 0.00 C ATOM 113 CG HIS A 20 11.651 -1.442 -9.298 1.00 0.00 C ATOM 114 ND1 HIS A 20 12.669 -0.707 -9.884 1.00 0.00 N ATOM 115 CD2 HIS A 20 10.491 -1.025 -9.898 1.00 0.00 C ATOM 116 CE1 HIS A 20 12.107 0.109 -10.790 1.00 0.00 C ATOM 117 NE2 HIS A 20 10.781 -0.043 -10.841 1.00 0.00 N ATOM 0 H HIS A 20 11.675 -2.819 -5.121 1.00 0.00 H new ATOM 0 HA HIS A 20 12.910 -0.972 -6.944 1.00 0.00 H new ATOM 0 HB2 HIS A 20 12.813 -3.013 -8.417 1.00 0.00 H new ATOM 0 HB3 HIS A 20 11.092 -3.141 -8.117 1.00 0.00 H new ATOM 0 HD2 HIS A 20 9.504 -1.401 -9.673 1.00 0.00 H new ATOM 0 HE1 HIS A 20 12.660 0.804 -11.404 1.00 0.00 H new ATOM 0 HE2 HIS A 20 10.123 0.453 -11.442 1.00 0.00 H new ATOM 125 N MET A 21 9.741 -1.673 -6.204 1.00 0.00 N ATOM 126 CA MET A 21 8.445 -1.077 -5.853 1.00 0.00 C ATOM 127 C MET A 21 8.548 -0.329 -4.522 1.00 0.00 C ATOM 128 O MET A 21 7.872 0.675 -4.310 1.00 0.00 O ATOM 129 CB MET A 21 7.382 -2.193 -5.758 1.00 0.00 C ATOM 130 CG MET A 21 7.155 -2.844 -7.138 1.00 0.00 C ATOM 131 SD MET A 21 5.902 -4.140 -6.991 1.00 0.00 S ATOM 132 CE MET A 21 6.051 -4.769 -8.680 1.00 0.00 C ATOM 0 H MET A 21 9.742 -2.693 -6.219 1.00 0.00 H new ATOM 0 HA MET A 21 8.154 -0.364 -6.625 1.00 0.00 H new ATOM 0 HB2 MET A 21 7.703 -2.949 -5.041 1.00 0.00 H new ATOM 0 HB3 MET A 21 6.445 -1.779 -5.386 1.00 0.00 H new ATOM 0 HG2 MET A 21 6.834 -2.092 -7.859 1.00 0.00 H new ATOM 0 HG3 MET A 21 8.088 -3.266 -7.512 1.00 0.00 H new ATOM 0 HE1 MET A 21 5.354 -5.595 -8.823 1.00 0.00 H new ATOM 0 HE2 MET A 21 5.819 -3.972 -9.387 1.00 0.00 H new ATOM 0 HE3 MET A 21 7.069 -5.120 -8.849 1.00 0.00 H new ATOM 142 N ALA A 22 9.404 -0.831 -3.624 1.00 0.00 N ATOM 143 CA ALA A 22 9.600 -0.205 -2.312 1.00 0.00 C ATOM 144 C ALA A 22 9.938 1.286 -2.475 1.00 0.00 C ATOM 145 O ALA A 22 9.566 2.112 -1.641 1.00 0.00 O ATOM 146 CB ALA A 22 10.736 -0.926 -1.555 1.00 0.00 C ATOM 0 H ALA A 22 9.970 -1.665 -3.781 1.00 0.00 H new ATOM 0 HA ALA A 22 8.677 -0.290 -1.739 1.00 0.00 H new ATOM 0 HB1 ALA A 22 10.878 -0.458 -0.581 1.00 0.00 H new ATOM 0 HB2 ALA A 22 10.474 -1.975 -1.419 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.659 -0.855 -2.130 1.00 0.00 H new ATOM 152 N SER A 23 10.628 1.613 -3.579 1.00 0.00 N ATOM 153 CA SER A 23 10.996 3.002 -3.879 1.00 0.00 C ATOM 154 C SER A 23 9.745 3.847 -4.156 1.00 0.00 C ATOM 155 O SER A 23 9.629 4.975 -3.680 1.00 0.00 O ATOM 156 CB SER A 23 11.932 3.049 -5.101 1.00 0.00 C ATOM 157 OG SER A 23 12.306 4.396 -5.340 1.00 0.00 O ATOM 0 H SER A 23 10.940 0.936 -4.275 1.00 0.00 H new ATOM 0 HA SER A 23 11.512 3.414 -3.012 1.00 0.00 H new ATOM 0 HB2 SER A 23 12.817 2.438 -4.922 1.00 0.00 H new ATOM 0 HB3 SER A 23 11.431 2.636 -5.976 1.00 0.00 H new ATOM 0 HG SER A 23 12.904 4.437 -6.116 1.00 0.00 H new ATOM 163 N LYS A 24 8.817 3.275 -4.934 1.00 0.00 N ATOM 164 CA LYS A 24 7.564 3.956 -5.297 1.00 0.00 C ATOM 165 C LYS A 24 6.699 4.186 -4.067 1.00 0.00 C ATOM 166 O LYS A 24 6.085 5.243 -3.905 1.00 0.00 O ATOM 167 CB LYS A 24 6.788 3.099 -6.338 1.00 0.00 C ATOM 168 CG LYS A 24 7.591 2.965 -7.673 1.00 0.00 C ATOM 169 CD LYS A 24 7.438 4.238 -8.559 1.00 0.00 C ATOM 170 CE LYS A 24 8.332 4.125 -9.814 1.00 0.00 C ATOM 171 NZ LYS A 24 7.954 2.900 -10.552 1.00 0.00 N ATOM 0 H LYS A 24 8.910 2.338 -5.326 1.00 0.00 H new ATOM 0 HA LYS A 24 7.807 4.926 -5.731 1.00 0.00 H new ATOM 0 HB2 LYS A 24 6.595 2.109 -5.926 1.00 0.00 H new ATOM 0 HB3 LYS A 24 5.819 3.555 -6.538 1.00 0.00 H new ATOM 0 HG2 LYS A 24 8.645 2.799 -7.450 1.00 0.00 H new ATOM 0 HG3 LYS A 24 7.241 2.092 -8.224 1.00 0.00 H new ATOM 0 HD2 LYS A 24 6.396 4.361 -8.855 1.00 0.00 H new ATOM 0 HD3 LYS A 24 7.713 5.124 -7.986 1.00 0.00 H new ATOM 0 HE2 LYS A 24 8.207 5.003 -10.448 1.00 0.00 H new ATOM 0 HE3 LYS A 24 9.383 4.085 -9.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 8.311 2.958 -11.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 8.367 2.070 -10.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 6.918 2.810 -10.567 1.00 0.00 H new ATOM 185 N ARG A 25 6.634 3.182 -3.206 1.00 0.00 N ATOM 186 CA ARG A 25 5.819 3.284 -2.000 1.00 0.00 C ATOM 187 C ARG A 25 6.366 4.390 -1.088 1.00 0.00 C ATOM 188 O ARG A 25 5.606 5.198 -0.539 1.00 0.00 O ATOM 189 CB ARG A 25 5.831 1.926 -1.274 1.00 0.00 C ATOM 190 CG ARG A 25 4.857 1.947 -0.068 1.00 0.00 C ATOM 191 CD ARG A 25 4.848 0.586 0.638 1.00 0.00 C ATOM 192 NE ARG A 25 3.904 0.630 1.759 1.00 0.00 N ATOM 193 CZ ARG A 25 3.618 -0.453 2.479 1.00 0.00 C ATOM 194 NH1 ARG A 25 4.184 -1.594 2.186 1.00 0.00 N ATOM 195 NH2 ARG A 25 2.774 -0.369 3.468 1.00 0.00 N ATOM 0 H ARG A 25 7.128 2.296 -3.315 1.00 0.00 H new ATOM 0 HA ARG A 25 4.794 3.541 -2.266 1.00 0.00 H new ATOM 0 HB2 ARG A 25 5.545 1.134 -1.966 1.00 0.00 H new ATOM 0 HB3 ARG A 25 6.840 1.700 -0.930 1.00 0.00 H new ATOM 0 HG2 ARG A 25 5.155 2.726 0.634 1.00 0.00 H new ATOM 0 HG3 ARG A 25 3.851 2.193 -0.409 1.00 0.00 H new ATOM 0 HD2 ARG A 25 4.562 -0.199 -0.063 1.00 0.00 H new ATOM 0 HD3 ARG A 25 5.848 0.343 0.998 1.00 0.00 H new ATOM 0 HE ARG A 25 3.454 1.515 1.994 1.00 0.00 H new ATOM 0 HH11 ARG A 25 4.842 -1.652 1.409 1.00 0.00 H new ATOM 0 HH12 ARG A 25 3.968 -2.426 2.735 1.00 0.00 H new ATOM 0 HH21 ARG A 25 2.334 0.525 3.689 1.00 0.00 H new ATOM 0 HH22 ARG A 25 2.553 -1.197 4.021 1.00 0.00 H new ATOM 209 N ASP A 26 7.698 4.403 -0.925 1.00 0.00 N ATOM 210 CA ASP A 26 8.366 5.387 -0.073 1.00 0.00 C ATOM 211 C ASP A 26 8.253 6.768 -0.690 1.00 0.00 C ATOM 212 O ASP A 26 8.310 7.773 0.011 1.00 0.00 O ATOM 213 CB ASP A 26 9.857 5.012 0.100 1.00 0.00 C ATOM 214 CG ASP A 26 9.983 3.633 0.750 1.00 0.00 C ATOM 215 OD1 ASP A 26 9.157 3.314 1.590 1.00 0.00 O ATOM 216 OD2 ASP A 26 10.908 2.916 0.401 1.00 0.00 O ATOM 0 H ASP A 26 8.330 3.741 -1.374 1.00 0.00 H new ATOM 0 HA ASP A 26 7.884 5.392 0.905 1.00 0.00 H new ATOM 0 HB2 ASP A 26 10.354 5.012 -0.870 1.00 0.00 H new ATOM 0 HB3 ASP A 26 10.358 5.759 0.715 1.00 0.00 H new ATOM 221 N LYS A 27 8.102 6.802 -2.022 1.00 0.00 N ATOM 222 CA LYS A 27 7.999 8.069 -2.744 1.00 0.00 C ATOM 223 C LYS A 27 6.771 8.845 -2.260 1.00 0.00 C ATOM 224 O LYS A 27 6.861 10.026 -1.945 1.00 0.00 O ATOM 225 CB LYS A 27 7.882 7.808 -4.278 1.00 0.00 C ATOM 226 CG LYS A 27 8.100 9.117 -5.077 1.00 0.00 C ATOM 227 CD LYS A 27 7.995 8.862 -6.603 1.00 0.00 C ATOM 228 CE LYS A 27 8.175 10.192 -7.369 1.00 0.00 C ATOM 229 NZ LYS A 27 9.499 10.771 -7.016 1.00 0.00 N ATOM 0 H LYS A 27 8.049 5.972 -2.613 1.00 0.00 H new ATOM 0 HA LYS A 27 8.897 8.656 -2.551 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.618 7.064 -4.582 1.00 0.00 H new ATOM 0 HB3 LYS A 27 6.899 7.396 -4.507 1.00 0.00 H new ATOM 0 HG2 LYS A 27 7.359 9.858 -4.777 1.00 0.00 H new ATOM 0 HG3 LYS A 27 9.080 9.532 -4.841 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.756 8.146 -6.915 1.00 0.00 H new ATOM 0 HD3 LYS A 27 7.027 8.422 -6.842 1.00 0.00 H new ATOM 0 HE2 LYS A 27 8.112 10.021 -8.444 1.00 0.00 H new ATOM 0 HE3 LYS A 27 7.377 10.888 -7.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 9.784 11.456 -7.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 9.434 11.252 -6.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 10.206 10.011 -6.960 1.00 0.00 H new ATOM 243 N ILE A 28 5.621 8.152 -2.200 1.00 0.00 N ATOM 244 CA ILE A 28 4.369 8.787 -1.763 1.00 0.00 C ATOM 245 C ILE A 28 4.489 9.226 -0.303 1.00 0.00 C ATOM 246 O ILE A 28 4.109 10.339 0.052 1.00 0.00 O ATOM 247 CB ILE A 28 3.176 7.808 -1.940 1.00 0.00 C ATOM 248 CG1 ILE A 28 3.180 7.224 -3.392 1.00 0.00 C ATOM 249 CG2 ILE A 28 1.833 8.526 -1.657 1.00 0.00 C ATOM 250 CD1 ILE A 28 3.202 8.304 -4.502 1.00 0.00 C ATOM 0 H ILE A 28 5.534 7.166 -2.445 1.00 0.00 H new ATOM 0 HA ILE A 28 4.185 9.667 -2.380 1.00 0.00 H new ATOM 0 HB ILE A 28 3.285 6.992 -1.225 1.00 0.00 H new ATOM 0 HG12 ILE A 28 4.049 6.577 -3.511 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.297 6.599 -3.524 1.00 0.00 H new ATOM 0 HG21 ILE A 28 1.010 7.823 -1.786 1.00 0.00 H new ATOM 0 HG22 ILE A 28 1.830 8.903 -0.634 1.00 0.00 H new ATOM 0 HG23 ILE A 28 1.712 9.358 -2.351 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.204 7.821 -5.479 1.00 0.00 H new ATOM 0 HD12 ILE A 28 2.319 8.937 -4.411 1.00 0.00 H new ATOM 0 HD13 ILE A 28 4.099 8.915 -4.398 1.00 0.00 H new ATOM 262 N ALA A 29 5.025 8.330 0.535 1.00 0.00 N ATOM 263 CA ALA A 29 5.204 8.622 1.960 1.00 0.00 C ATOM 264 C ALA A 29 6.055 9.890 2.158 1.00 0.00 C ATOM 265 O ALA A 29 5.637 10.837 2.826 1.00 0.00 O ATOM 266 CB ALA A 29 5.883 7.420 2.644 1.00 0.00 C ATOM 0 H ALA A 29 5.340 7.402 0.252 1.00 0.00 H new ATOM 0 HA ALA A 29 4.226 8.797 2.409 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.018 7.633 3.704 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.258 6.535 2.529 1.00 0.00 H new ATOM 0 HB3 ALA A 29 6.854 7.240 2.184 1.00 0.00 H new ATOM 272 N ASP A 30 7.244 9.896 1.538 1.00 0.00 N ATOM 273 CA ASP A 30 8.171 11.035 1.626 1.00 0.00 C ATOM 274 C ASP A 30 7.504 12.323 1.132 1.00 0.00 C ATOM 275 O ASP A 30 7.798 13.413 1.621 1.00 0.00 O ATOM 276 CB ASP A 30 9.441 10.744 0.784 1.00 0.00 C ATOM 277 CG ASP A 30 10.129 9.463 1.270 1.00 0.00 C ATOM 278 OD1 ASP A 30 10.083 9.200 2.461 1.00 0.00 O ATOM 279 OD2 ASP A 30 10.699 8.765 0.442 1.00 0.00 O ATOM 0 H ASP A 30 7.588 9.123 0.968 1.00 0.00 H new ATOM 0 HA ASP A 30 8.450 11.172 2.671 1.00 0.00 H new ATOM 0 HB2 ASP A 30 9.171 10.642 -0.267 1.00 0.00 H new ATOM 0 HB3 ASP A 30 10.132 11.584 0.856 1.00 0.00 H new ATOM 284 N ILE A 31 6.592 12.172 0.169 1.00 0.00 N ATOM 285 CA ILE A 31 5.851 13.307 -0.405 1.00 0.00 C ATOM 286 C ILE A 31 4.669 13.680 0.473 1.00 0.00 C ATOM 287 O ILE A 31 4.259 14.844 0.501 1.00 0.00 O ATOM 288 CB ILE A 31 5.310 12.933 -1.834 1.00 0.00 C ATOM 289 CG1 ILE A 31 6.487 12.935 -2.862 1.00 0.00 C ATOM 290 CG2 ILE A 31 4.159 13.909 -2.309 1.00 0.00 C ATOM 291 CD1 ILE A 31 6.052 12.345 -4.218 1.00 0.00 C ATOM 0 H ILE A 31 6.345 11.269 -0.235 1.00 0.00 H new ATOM 0 HA ILE A 31 6.536 14.152 -0.471 1.00 0.00 H new ATOM 0 HB ILE A 31 4.879 11.934 -1.776 1.00 0.00 H new ATOM 0 HG12 ILE A 31 6.845 13.955 -3.005 1.00 0.00 H new ATOM 0 HG13 ILE A 31 7.321 12.358 -2.463 1.00 0.00 H new ATOM 0 HG21 ILE A 31 3.817 13.612 -3.300 1.00 0.00 H new ATOM 0 HG22 ILE A 31 3.326 13.858 -1.607 1.00 0.00 H new ATOM 0 HG23 ILE A 31 4.540 14.930 -2.347 1.00 0.00 H new ATOM 0 HD11 ILE A 31 6.895 12.362 -4.909 1.00 0.00 H new ATOM 0 HD12 ILE A 31 5.718 11.317 -4.077 1.00 0.00 H new ATOM 0 HD13 ILE A 31 5.235 12.939 -4.628 1.00 0.00 H new ATOM 303 N GLN A 32 4.082 12.687 1.150 1.00 0.00 N ATOM 304 CA GLN A 32 2.885 12.942 1.950 1.00 0.00 C ATOM 305 C GLN A 32 3.180 13.928 3.072 1.00 0.00 C ATOM 306 O GLN A 32 2.568 14.992 3.153 1.00 0.00 O ATOM 307 CB GLN A 32 2.352 11.614 2.543 1.00 0.00 C ATOM 308 CG GLN A 32 0.949 11.819 3.176 1.00 0.00 C ATOM 309 CD GLN A 32 0.443 10.521 3.800 1.00 0.00 C ATOM 310 OE1 GLN A 32 1.201 9.800 4.449 1.00 0.00 O ATOM 311 NE2 GLN A 32 -0.810 10.185 3.648 1.00 0.00 N ATOM 0 H GLN A 32 4.409 11.721 1.160 1.00 0.00 H new ATOM 0 HA GLN A 32 2.126 13.378 1.300 1.00 0.00 H new ATOM 0 HB2 GLN A 32 2.296 10.857 1.761 1.00 0.00 H new ATOM 0 HB3 GLN A 32 3.046 11.242 3.297 1.00 0.00 H new ATOM 0 HG2 GLN A 32 0.998 12.599 3.936 1.00 0.00 H new ATOM 0 HG3 GLN A 32 0.247 12.160 2.415 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -1.437 10.783 3.110 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -1.162 9.324 4.067 1.00 0.00 H new ATOM 320 N GLU A 33 4.141 13.558 3.933 1.00 0.00 N ATOM 321 CA GLU A 33 4.527 14.401 5.081 1.00 0.00 C ATOM 322 C GLU A 33 5.104 15.718 4.601 1.00 0.00 C ATOM 323 O GLU A 33 4.653 16.779 5.017 1.00 0.00 O ATOM 324 CB GLU A 33 5.571 13.659 5.960 1.00 0.00 C ATOM 325 CG GLU A 33 4.901 12.540 6.801 1.00 0.00 C ATOM 326 CD GLU A 33 4.281 11.475 5.898 1.00 0.00 C ATOM 327 OE1 GLU A 33 5.035 10.791 5.231 1.00 0.00 O ATOM 328 OE2 GLU A 33 3.065 11.370 5.874 1.00 0.00 O ATOM 0 H GLU A 33 4.664 12.686 3.859 1.00 0.00 H new ATOM 0 HA GLU A 33 3.637 14.604 5.676 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.344 13.227 5.325 1.00 0.00 H new ATOM 0 HB3 GLU A 33 6.064 14.370 6.623 1.00 0.00 H new ATOM 0 HG2 GLU A 33 5.641 12.081 7.457 1.00 0.00 H new ATOM 0 HG3 GLU A 33 4.132 12.972 7.441 1.00 0.00 H new ATOM 335 N ALA A 34 6.166 15.644 3.786 1.00 0.00 N ATOM 336 CA ALA A 34 6.871 16.842 3.346 1.00 0.00 C ATOM 337 C ALA A 34 5.884 17.926 2.961 1.00 0.00 C ATOM 338 O ALA A 34 5.916 18.984 3.544 1.00 0.00 O ATOM 339 CB ALA A 34 7.738 16.492 2.125 1.00 0.00 C ATOM 0 H ALA A 34 6.549 14.771 3.424 1.00 0.00 H new ATOM 0 HA ALA A 34 7.495 17.207 4.162 1.00 0.00 H new ATOM 0 HB1 ALA A 34 8.269 17.382 1.789 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.458 15.721 2.399 1.00 0.00 H new ATOM 0 HB3 ALA A 34 7.102 16.124 1.320 1.00 0.00 H new ATOM 345 N LEU A 35 4.983 17.621 2.031 1.00 0.00 N ATOM 346 CA LEU A 35 3.973 18.598 1.610 1.00 0.00 C ATOM 347 C LEU A 35 2.964 18.870 2.739 1.00 0.00 C ATOM 348 O LEU A 35 2.760 20.008 3.137 1.00 0.00 O ATOM 349 CB LEU A 35 3.222 18.054 0.364 1.00 0.00 C ATOM 350 CG LEU A 35 2.009 18.961 -0.033 1.00 0.00 C ATOM 351 CD1 LEU A 35 2.458 20.427 -0.275 1.00 0.00 C ATOM 352 CD2 LEU A 35 1.305 18.368 -1.287 1.00 0.00 C ATOM 0 H LEU A 35 4.928 16.719 1.558 1.00 0.00 H new ATOM 0 HA LEU A 35 4.476 19.534 1.366 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.914 17.987 -0.475 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.868 17.043 0.567 1.00 0.00 H new ATOM 0 HG LEU A 35 1.297 18.980 0.792 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.594 21.032 -0.549 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.906 20.825 0.635 1.00 0.00 H new ATOM 0 HD13 LEU A 35 3.191 20.455 -1.082 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.461 19.000 -1.563 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.012 18.325 -2.115 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.948 17.363 -1.063 1.00 0.00 H new ATOM 364 N ALA A 36 2.271 17.816 3.203 1.00 0.00 N ATOM 365 CA ALA A 36 1.231 17.977 4.236 1.00 0.00 C ATOM 366 C ALA A 36 1.740 18.834 5.399 1.00 0.00 C ATOM 367 O ALA A 36 1.183 19.891 5.710 1.00 0.00 O ATOM 368 CB ALA A 36 0.783 16.589 4.734 1.00 0.00 C ATOM 0 H ALA A 36 2.408 16.856 2.885 1.00 0.00 H new ATOM 0 HA ALA A 36 0.376 18.493 3.799 1.00 0.00 H new ATOM 0 HB1 ALA A 36 0.014 16.707 5.498 1.00 0.00 H new ATOM 0 HB2 ALA A 36 0.380 16.016 3.899 1.00 0.00 H new ATOM 0 HB3 ALA A 36 1.637 16.061 5.158 1.00 0.00 H new ATOM 374 N HIS A 37 2.815 18.355 6.008 1.00 0.00 N ATOM 375 CA HIS A 37 3.488 19.006 7.127 1.00 0.00 C ATOM 376 C HIS A 37 4.324 20.178 6.624 1.00 0.00 C ATOM 377 O HIS A 37 5.288 20.563 7.291 1.00 0.00 O ATOM 378 CB HIS A 37 4.391 17.988 7.870 1.00 0.00 C ATOM 379 CG HIS A 37 3.565 16.826 8.344 1.00 0.00 C ATOM 380 ND1 HIS A 37 2.329 16.517 7.795 1.00 0.00 N ATOM 381 CD2 HIS A 37 3.771 15.912 9.340 1.00 0.00 C ATOM 382 CE1 HIS A 37 1.843 15.462 8.459 1.00 0.00 C ATOM 383 NE2 HIS A 37 2.682 15.049 9.413 1.00 0.00 N ATOM 0 H HIS A 37 3.257 17.478 5.731 1.00 0.00 H new ATOM 0 HA HIS A 37 2.736 19.382 7.821 1.00 0.00 H new ATOM 0 HB2 HIS A 37 5.182 17.637 7.207 1.00 0.00 H new ATOM 0 HB3 HIS A 37 4.877 18.470 8.718 1.00 0.00 H new ATOM 0 HD2 HIS A 37 4.645 15.867 9.973 1.00 0.00 H new ATOM 0 HE1 HIS A 37 0.889 15.001 8.249 1.00 0.00 H new ATOM 0 HE2 HIS A 37 2.552 14.269 10.057 1.00 0.00 H new ATOM 391 N ALA A 38 3.967 20.759 5.448 1.00 0.00 N ATOM 392 CA ALA A 38 4.713 21.921 4.908 1.00 0.00 C ATOM 393 C ALA A 38 3.851 23.186 4.915 1.00 0.00 C ATOM 394 O ALA A 38 4.268 24.189 5.504 1.00 0.00 O ATOM 395 CB ALA A 38 5.147 21.689 3.438 1.00 0.00 C ATOM 0 H ALA A 38 3.186 20.449 4.870 1.00 0.00 H new ATOM 0 HA ALA A 38 5.585 22.040 5.551 1.00 0.00 H new ATOM 0 HB1 ALA A 38 5.691 22.562 3.077 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.791 20.812 3.383 1.00 0.00 H new ATOM 0 HB3 ALA A 38 4.264 21.530 2.819 1.00 0.00 H new ATOM 401 N ASP A 39 2.648 23.104 4.258 1.00 0.00 N ATOM 402 CA ASP A 39 1.697 24.251 4.122 1.00 0.00 C ATOM 403 C ASP A 39 2.415 25.573 4.468 1.00 0.00 C ATOM 404 O ASP A 39 1.970 26.335 5.326 1.00 0.00 O ATOM 405 CB ASP A 39 0.466 24.045 5.044 1.00 0.00 C ATOM 406 CG ASP A 39 -0.257 22.737 4.706 1.00 0.00 C ATOM 407 OD1 ASP A 39 -0.430 22.466 3.534 1.00 0.00 O ATOM 408 OD2 ASP A 39 -0.624 22.024 5.633 1.00 0.00 O ATOM 0 H ASP A 39 2.317 22.248 3.813 1.00 0.00 H new ATOM 0 HA ASP A 39 1.348 24.300 3.090 1.00 0.00 H new ATOM 0 HB2 ASP A 39 0.785 24.030 6.086 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -0.221 24.884 4.933 1.00 0.00 H new ATOM 413 N ALA A 40 3.592 25.765 3.843 1.00 0.00 N ATOM 414 CA ALA A 40 4.463 26.911 4.142 1.00 0.00 C ATOM 415 C ALA A 40 3.723 28.219 3.949 1.00 0.00 C ATOM 416 O ALA A 40 3.678 29.066 4.844 1.00 0.00 O ATOM 417 CB ALA A 40 5.720 26.861 3.239 1.00 0.00 C ATOM 0 H ALA A 40 3.960 25.138 3.127 1.00 0.00 H new ATOM 0 HA ALA A 40 4.770 26.852 5.186 1.00 0.00 H new ATOM 0 HB1 ALA A 40 6.363 27.712 3.463 1.00 0.00 H new ATOM 0 HB2 ALA A 40 6.265 25.935 3.425 1.00 0.00 H new ATOM 0 HB3 ALA A 40 5.418 26.901 2.192 1.00 0.00 H new ATOM 423 N ASN A 41 3.134 28.362 2.769 1.00 0.00 N ATOM 424 CA ASN A 41 2.382 29.555 2.420 1.00 0.00 C ATOM 425 C ASN A 41 1.049 29.577 3.165 1.00 0.00 C ATOM 426 O ASN A 41 0.386 30.612 3.215 1.00 0.00 O ATOM 427 CB ASN A 41 2.143 29.566 0.893 1.00 0.00 C ATOM 428 CG ASN A 41 1.358 28.326 0.438 1.00 0.00 C ATOM 429 OD1 ASN A 41 1.302 27.321 1.145 1.00 0.00 O ATOM 430 ND2 ASN A 41 0.737 28.351 -0.715 1.00 0.00 N ATOM 0 H ASN A 41 3.165 27.657 2.032 1.00 0.00 H new ATOM 0 HA ASN A 41 2.947 30.441 2.708 1.00 0.00 H new ATOM 0 HB2 ASN A 41 1.595 30.467 0.616 1.00 0.00 H new ATOM 0 HB3 ASN A 41 3.101 29.603 0.374 1.00 0.00 H new ATOM 0 HD21 ASN A 41 0.207 27.537 -1.027 1.00 0.00 H new ATOM 0 HD22 ASN A 41 0.783 29.184 -1.301 1.00 0.00 H new ATOM 437 N ALA A 42 0.655 28.426 3.756 1.00 0.00 N ATOM 438 CA ALA A 42 -0.618 28.327 4.500 1.00 0.00 C ATOM 439 C ALA A 42 -1.763 28.999 3.711 1.00 0.00 C ATOM 440 O ALA A 42 -2.439 29.901 4.214 1.00 0.00 O ATOM 441 CB ALA A 42 -0.455 28.991 5.887 1.00 0.00 C ATOM 0 H ALA A 42 1.196 27.561 3.732 1.00 0.00 H new ATOM 0 HA ALA A 42 -0.872 27.275 4.633 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -1.393 28.919 6.437 1.00 0.00 H new ATOM 0 HB2 ALA A 42 0.332 28.482 6.444 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -0.189 30.040 5.759 1.00 0.00 H new ATOM 447 N ASP A 43 -1.954 28.554 2.459 1.00 0.00 N ATOM 448 CA ASP A 43 -2.992 29.103 1.559 1.00 0.00 C ATOM 449 C ASP A 43 -3.965 28.006 1.157 1.00 0.00 C ATOM 450 O ASP A 43 -4.970 28.274 0.491 1.00 0.00 O ATOM 451 CB ASP A 43 -2.323 29.720 0.309 1.00 0.00 C ATOM 452 CG ASP A 43 -1.438 30.912 0.695 1.00 0.00 C ATOM 453 OD1 ASP A 43 -1.589 31.416 1.796 1.00 0.00 O ATOM 454 OD2 ASP A 43 -0.629 31.305 -0.126 1.00 0.00 O ATOM 0 H ASP A 43 -1.399 27.808 2.040 1.00 0.00 H new ATOM 0 HA ASP A 43 -3.547 29.882 2.081 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -1.722 28.965 -0.197 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -3.089 30.043 -0.396 1.00 0.00 H new ATOM 459 N GLN A 44 -3.681 26.769 1.587 1.00 0.00 N ATOM 460 CA GLN A 44 -4.554 25.630 1.301 1.00 0.00 C ATOM 461 C GLN A 44 -4.561 25.318 -0.203 1.00 0.00 C ATOM 462 O GLN A 44 -5.342 24.487 -0.668 1.00 0.00 O ATOM 463 CB GLN A 44 -6.013 25.933 1.784 1.00 0.00 C ATOM 464 CG GLN A 44 -6.789 24.635 2.114 1.00 0.00 C ATOM 465 CD GLN A 44 -8.241 24.945 2.487 1.00 0.00 C ATOM 466 OE1 GLN A 44 -8.761 26.019 2.170 1.00 0.00 O ATOM 467 NE2 GLN A 44 -8.921 24.054 3.141 1.00 0.00 N ATOM 0 H GLN A 44 -2.853 26.535 2.134 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.171 24.762 1.838 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -5.979 26.571 2.667 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -6.544 26.488 1.011 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -6.765 23.964 1.255 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -6.301 24.115 2.938 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -8.485 23.169 3.400 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -9.891 24.239 3.396 1.00 0.00 H new ATOM 476 N HIS A 45 -3.682 25.983 -0.950 1.00 0.00 N ATOM 477 CA HIS A 45 -3.560 25.792 -2.404 1.00 0.00 C ATOM 478 C HIS A 45 -2.156 25.349 -2.705 1.00 0.00 C ATOM 479 O HIS A 45 -1.300 25.342 -1.817 1.00 0.00 O ATOM 480 CB HIS A 45 -3.875 27.111 -3.134 1.00 0.00 C ATOM 481 CG HIS A 45 -5.278 27.532 -2.804 1.00 0.00 C ATOM 482 ND1 HIS A 45 -5.557 28.683 -2.092 1.00 0.00 N ATOM 483 CD2 HIS A 45 -6.489 26.948 -3.071 1.00 0.00 C ATOM 484 CE1 HIS A 45 -6.892 28.756 -1.955 1.00 0.00 C ATOM 485 NE2 HIS A 45 -7.508 27.723 -2.535 1.00 0.00 N ATOM 0 H HIS A 45 -3.032 26.671 -0.570 1.00 0.00 H new ATOM 0 HA HIS A 45 -4.267 25.036 -2.747 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -3.169 27.885 -2.833 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -3.765 26.981 -4.211 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -6.629 26.026 -3.615 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -7.405 29.554 -1.438 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -8.511 27.542 -2.575 1.00 0.00 H new ATOM 493 N LEU A 46 -1.937 24.947 -3.956 1.00 0.00 N ATOM 494 CA LEU A 46 -0.636 24.441 -4.399 1.00 0.00 C ATOM 495 C LEU A 46 -0.121 25.227 -5.611 1.00 0.00 C ATOM 496 O LEU A 46 -0.535 24.984 -6.745 1.00 0.00 O ATOM 497 CB LEU A 46 -0.772 22.924 -4.786 1.00 0.00 C ATOM 498 CG LEU A 46 0.613 22.199 -4.722 1.00 0.00 C ATOM 499 CD1 LEU A 46 0.925 21.740 -3.274 1.00 0.00 C ATOM 500 CD2 LEU A 46 0.651 20.973 -5.683 1.00 0.00 C ATOM 0 H LEU A 46 -2.649 24.962 -4.687 1.00 0.00 H new ATOM 0 HA LEU A 46 0.075 24.560 -3.582 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.473 22.435 -4.110 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.185 22.838 -5.791 1.00 0.00 H new ATOM 0 HG LEU A 46 1.373 22.913 -5.040 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.892 21.238 -3.252 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.951 22.608 -2.615 1.00 0.00 H new ATOM 0 HD13 LEU A 46 0.151 21.051 -2.936 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.625 20.489 -5.617 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.126 20.264 -5.399 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.480 21.307 -6.706 1.00 0.00 H new ATOM 512 N ASP A 47 0.813 26.142 -5.364 1.00 0.00 N ATOM 513 CA ASP A 47 1.458 26.908 -6.419 1.00 0.00 C ATOM 514 C ASP A 47 2.792 26.232 -6.711 1.00 0.00 C ATOM 515 O ASP A 47 3.473 25.795 -5.783 1.00 0.00 O ATOM 516 CB ASP A 47 1.672 28.348 -5.943 1.00 0.00 C ATOM 517 CG ASP A 47 0.318 28.970 -5.602 1.00 0.00 C ATOM 518 OD1 ASP A 47 -0.594 28.823 -6.405 1.00 0.00 O ATOM 519 OD2 ASP A 47 0.197 29.545 -4.534 1.00 0.00 O ATOM 0 H ASP A 47 1.142 26.371 -4.426 1.00 0.00 H new ATOM 0 HA ASP A 47 0.847 26.940 -7.321 1.00 0.00 H new ATOM 0 HB2 ASP A 47 2.323 28.362 -5.069 1.00 0.00 H new ATOM 0 HB3 ASP A 47 2.168 28.931 -6.719 1.00 0.00 H new ATOM 524 N PHE A 48 3.118 26.098 -7.992 1.00 0.00 N ATOM 525 CA PHE A 48 4.336 25.416 -8.433 1.00 0.00 C ATOM 526 C PHE A 48 5.544 25.756 -7.548 1.00 0.00 C ATOM 527 O PHE A 48 6.306 24.871 -7.183 1.00 0.00 O ATOM 528 CB PHE A 48 4.636 25.821 -9.904 1.00 0.00 C ATOM 529 CG PHE A 48 5.767 24.948 -10.482 1.00 0.00 C ATOM 530 CD1 PHE A 48 5.530 23.575 -10.685 1.00 0.00 C ATOM 531 CD2 PHE A 48 7.030 25.493 -10.798 1.00 0.00 C ATOM 532 CE1 PHE A 48 6.542 22.753 -11.194 1.00 0.00 C ATOM 533 CE2 PHE A 48 8.040 24.661 -11.310 1.00 0.00 C ATOM 534 CZ PHE A 48 7.798 23.289 -11.505 1.00 0.00 C ATOM 0 H PHE A 48 2.547 26.458 -8.757 1.00 0.00 H new ATOM 0 HA PHE A 48 4.169 24.342 -8.355 1.00 0.00 H new ATOM 0 HB2 PHE A 48 3.736 25.709 -10.509 1.00 0.00 H new ATOM 0 HB3 PHE A 48 4.921 26.872 -9.948 1.00 0.00 H new ATOM 0 HD1 PHE A 48 4.564 23.155 -10.447 1.00 0.00 H new ATOM 0 HD2 PHE A 48 7.219 26.545 -10.647 1.00 0.00 H new ATOM 0 HE1 PHE A 48 6.354 21.701 -11.348 1.00 0.00 H new ATOM 0 HE2 PHE A 48 9.006 25.077 -11.555 1.00 0.00 H new ATOM 0 HZ PHE A 48 8.578 22.651 -11.893 1.00 0.00 H new ATOM 544 N ASP A 49 5.713 27.045 -7.255 1.00 0.00 N ATOM 545 CA ASP A 49 6.855 27.516 -6.454 1.00 0.00 C ATOM 546 C ASP A 49 6.942 26.759 -5.125 1.00 0.00 C ATOM 547 O ASP A 49 7.962 26.160 -4.809 1.00 0.00 O ATOM 548 CB ASP A 49 6.679 29.026 -6.178 1.00 0.00 C ATOM 549 CG ASP A 49 6.647 29.807 -7.497 1.00 0.00 C ATOM 550 OD1 ASP A 49 7.451 29.505 -8.361 1.00 0.00 O ATOM 551 OD2 ASP A 49 5.828 30.709 -7.616 1.00 0.00 O ATOM 0 H ASP A 49 5.078 27.784 -7.557 1.00 0.00 H new ATOM 0 HA ASP A 49 7.776 27.336 -7.009 1.00 0.00 H new ATOM 0 HB2 ASP A 49 5.756 29.196 -5.624 1.00 0.00 H new ATOM 0 HB3 ASP A 49 7.497 29.386 -5.554 1.00 0.00 H new ATOM 556 N GLU A 50 5.837 26.786 -4.369 1.00 0.00 N ATOM 557 CA GLU A 50 5.767 26.120 -3.065 1.00 0.00 C ATOM 558 C GLU A 50 6.050 24.620 -3.202 1.00 0.00 C ATOM 559 O GLU A 50 6.922 24.084 -2.530 1.00 0.00 O ATOM 560 CB GLU A 50 4.359 26.322 -2.440 1.00 0.00 C ATOM 561 CG GLU A 50 4.056 27.825 -2.230 1.00 0.00 C ATOM 562 CD GLU A 50 5.022 28.444 -1.216 1.00 0.00 C ATOM 563 OE1 GLU A 50 5.118 27.905 -0.123 1.00 0.00 O ATOM 564 OE2 GLU A 50 5.655 29.433 -1.545 1.00 0.00 O ATOM 0 H GLU A 50 4.978 27.264 -4.640 1.00 0.00 H new ATOM 0 HA GLU A 50 6.524 26.563 -2.417 1.00 0.00 H new ATOM 0 HB2 GLU A 50 3.602 25.882 -3.090 1.00 0.00 H new ATOM 0 HB3 GLU A 50 4.303 25.799 -1.485 1.00 0.00 H new ATOM 0 HG2 GLU A 50 4.135 28.352 -3.181 1.00 0.00 H new ATOM 0 HG3 GLU A 50 3.030 27.948 -1.882 1.00 0.00 H new ATOM 571 N TRP A 51 5.310 23.950 -4.097 1.00 0.00 N ATOM 572 CA TRP A 51 5.489 22.508 -4.304 1.00 0.00 C ATOM 573 C TRP A 51 6.924 22.198 -4.729 1.00 0.00 C ATOM 574 O TRP A 51 7.621 21.418 -4.079 1.00 0.00 O ATOM 575 CB TRP A 51 4.500 22.027 -5.399 1.00 0.00 C ATOM 576 CG TRP A 51 4.946 20.708 -5.963 1.00 0.00 C ATOM 577 CD1 TRP A 51 5.535 20.529 -7.164 1.00 0.00 C ATOM 578 CD2 TRP A 51 4.912 19.405 -5.326 1.00 0.00 C ATOM 579 NE1 TRP A 51 5.811 19.195 -7.321 1.00 0.00 N ATOM 580 CE2 TRP A 51 5.468 18.464 -6.213 1.00 0.00 C ATOM 581 CE3 TRP A 51 4.446 18.956 -4.085 1.00 0.00 C ATOM 582 CZ2 TRP A 51 5.569 17.121 -5.890 1.00 0.00 C ATOM 583 CZ3 TRP A 51 4.545 17.599 -3.748 1.00 0.00 C ATOM 584 CH2 TRP A 51 5.109 16.681 -4.652 1.00 0.00 C ATOM 0 H TRP A 51 4.592 24.377 -4.681 1.00 0.00 H new ATOM 0 HA TRP A 51 5.289 21.986 -3.368 1.00 0.00 H new ATOM 0 HB2 TRP A 51 3.499 21.930 -4.977 1.00 0.00 H new ATOM 0 HB3 TRP A 51 4.440 22.769 -6.195 1.00 0.00 H new ATOM 0 HD1 TRP A 51 5.753 21.306 -7.881 1.00 0.00 H new ATOM 0 HE1 TRP A 51 6.223 18.794 -8.163 1.00 0.00 H new ATOM 0 HE3 TRP A 51 4.010 19.655 -3.387 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 6.000 16.422 -6.591 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 4.186 17.256 -2.789 1.00 0.00 H new ATOM 0 HH2 TRP A 51 5.185 15.637 -4.386 1.00 0.00 H new ATOM 595 N ARG A 52 7.329 22.782 -5.858 1.00 0.00 N ATOM 596 CA ARG A 52 8.657 22.531 -6.420 1.00 0.00 C ATOM 597 C ARG A 52 9.753 22.677 -5.372 1.00 0.00 C ATOM 598 O ARG A 52 10.531 21.769 -5.165 1.00 0.00 O ATOM 599 CB ARG A 52 8.934 23.519 -7.593 1.00 0.00 C ATOM 600 CG ARG A 52 10.427 23.454 -8.055 1.00 0.00 C ATOM 601 CD ARG A 52 10.654 24.230 -9.364 1.00 0.00 C ATOM 602 NE ARG A 52 12.089 24.544 -9.519 1.00 0.00 N ATOM 603 CZ ARG A 52 12.684 25.525 -8.825 1.00 0.00 C ATOM 604 NH1 ARG A 52 11.991 26.246 -7.976 1.00 0.00 N ATOM 605 NH2 ARG A 52 13.958 25.746 -8.978 1.00 0.00 N ATOM 0 H ARG A 52 6.758 23.430 -6.400 1.00 0.00 H new ATOM 0 HA ARG A 52 8.669 21.504 -6.784 1.00 0.00 H new ATOM 0 HB2 ARG A 52 8.281 23.281 -8.433 1.00 0.00 H new ATOM 0 HB3 ARG A 52 8.693 24.535 -7.280 1.00 0.00 H new ATOM 0 HG2 ARG A 52 11.067 23.864 -7.274 1.00 0.00 H new ATOM 0 HG3 ARG A 52 10.720 22.413 -8.194 1.00 0.00 H new ATOM 0 HD2 ARG A 52 10.308 23.639 -10.212 1.00 0.00 H new ATOM 0 HD3 ARG A 52 10.070 25.150 -9.358 1.00 0.00 H new ATOM 0 HE ARG A 52 12.646 23.997 -10.175 1.00 0.00 H new ATOM 0 HH11 ARG A 52 10.997 26.061 -7.842 1.00 0.00 H new ATOM 0 HH12 ARG A 52 12.446 26.992 -7.449 1.00 0.00 H new ATOM 0 HH21 ARG A 52 14.501 25.174 -9.625 1.00 0.00 H new ATOM 0 HH22 ARG A 52 14.413 26.492 -8.451 1.00 0.00 H new ATOM 619 N GLN A 53 9.782 23.841 -4.730 1.00 0.00 N ATOM 620 CA GLN A 53 10.808 24.157 -3.731 1.00 0.00 C ATOM 621 C GLN A 53 10.711 23.244 -2.523 1.00 0.00 C ATOM 622 O GLN A 53 11.728 22.794 -1.982 1.00 0.00 O ATOM 623 CB GLN A 53 10.626 25.630 -3.280 1.00 0.00 C ATOM 624 CG GLN A 53 10.992 26.611 -4.425 1.00 0.00 C ATOM 625 CD GLN A 53 12.507 26.606 -4.656 1.00 0.00 C ATOM 626 OE1 GLN A 53 13.018 25.885 -5.615 1.00 0.00 O flip ATOM 627 NE2 GLN A 53 13.245 27.244 -3.904 1.00 0.00 N flip ATOM 0 H GLN A 53 9.104 24.588 -4.882 1.00 0.00 H new ATOM 0 HA GLN A 53 11.789 24.010 -4.183 1.00 0.00 H new ATOM 0 HB2 GLN A 53 9.594 25.795 -2.971 1.00 0.00 H new ATOM 0 HB3 GLN A 53 11.254 25.828 -2.412 1.00 0.00 H new ATOM 0 HG2 GLN A 53 10.475 26.323 -5.341 1.00 0.00 H new ATOM 0 HG3 GLN A 53 10.658 27.617 -4.173 1.00 0.00 H new ATOM 0 HE21 GLN A 53 12.845 27.808 -3.154 1.00 0.00 H new ATOM 0 HE22 GLN A 53 14.256 27.209 -4.031 1.00 0.00 H new ATOM 636 N GLU A 54 9.470 22.998 -2.065 1.00 0.00 N ATOM 637 CA GLU A 54 9.259 22.190 -0.866 1.00 0.00 C ATOM 638 C GLU A 54 9.819 20.798 -1.043 1.00 0.00 C ATOM 639 O GLU A 54 10.587 20.319 -0.213 1.00 0.00 O ATOM 640 CB GLU A 54 7.741 22.088 -0.530 1.00 0.00 C ATOM 641 CG GLU A 54 7.495 21.274 0.773 1.00 0.00 C ATOM 642 CD GLU A 54 8.169 21.953 1.969 1.00 0.00 C ATOM 643 OE1 GLU A 54 8.208 23.174 1.981 1.00 0.00 O ATOM 644 OE2 GLU A 54 8.614 21.251 2.863 1.00 0.00 O ATOM 0 H GLU A 54 8.616 23.343 -2.503 1.00 0.00 H new ATOM 0 HA GLU A 54 9.781 22.683 -0.046 1.00 0.00 H new ATOM 0 HB2 GLU A 54 7.325 23.089 -0.418 1.00 0.00 H new ATOM 0 HB3 GLU A 54 7.215 21.615 -1.360 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.424 21.184 0.955 1.00 0.00 H new ATOM 0 HG3 GLU A 54 7.884 20.263 0.655 1.00 0.00 H new ATOM 651 N LEU A 55 9.364 20.122 -2.112 1.00 0.00 N ATOM 652 CA LEU A 55 9.757 18.741 -2.349 1.00 0.00 C ATOM 653 C LEU A 55 11.201 18.634 -2.760 1.00 0.00 C ATOM 654 O LEU A 55 11.844 17.625 -2.529 1.00 0.00 O ATOM 655 CB LEU A 55 8.838 18.095 -3.437 1.00 0.00 C ATOM 656 CG LEU A 55 8.306 16.700 -2.972 1.00 0.00 C ATOM 657 CD1 LEU A 55 9.501 15.709 -2.717 1.00 0.00 C ATOM 658 CD2 LEU A 55 7.380 16.851 -1.712 1.00 0.00 C ATOM 0 H LEU A 55 8.732 20.512 -2.812 1.00 0.00 H new ATOM 0 HA LEU A 55 9.639 18.200 -1.410 1.00 0.00 H new ATOM 0 HB2 LEU A 55 7.997 18.756 -3.646 1.00 0.00 H new ATOM 0 HB3 LEU A 55 9.395 17.983 -4.367 1.00 0.00 H new ATOM 0 HG LEU A 55 7.697 16.272 -3.768 1.00 0.00 H new ATOM 0 HD11 LEU A 55 9.111 14.744 -2.394 1.00 0.00 H new ATOM 0 HD12 LEU A 55 10.070 15.581 -3.638 1.00 0.00 H new ATOM 0 HD13 LEU A 55 10.151 16.115 -1.942 1.00 0.00 H new ATOM 0 HD21 LEU A 55 7.021 15.869 -1.405 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.946 17.302 -0.897 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.530 17.487 -1.959 1.00 0.00 H new ATOM 670 N LYS A 56 11.716 19.688 -3.383 1.00 0.00 N ATOM 671 CA LYS A 56 13.098 19.669 -3.856 1.00 0.00 C ATOM 672 C LYS A 56 14.097 19.416 -2.722 1.00 0.00 C ATOM 673 O LYS A 56 14.979 18.566 -2.857 1.00 0.00 O ATOM 674 CB LYS A 56 13.417 21.012 -4.530 1.00 0.00 C ATOM 675 CG LYS A 56 14.810 20.962 -5.192 1.00 0.00 C ATOM 676 CD LYS A 56 15.123 22.295 -5.878 1.00 0.00 C ATOM 677 CE LYS A 56 16.502 22.216 -6.555 1.00 0.00 C ATOM 678 NZ LYS A 56 16.772 23.504 -7.222 1.00 0.00 N ATOM 0 H LYS A 56 11.209 20.553 -3.571 1.00 0.00 H new ATOM 0 HA LYS A 56 13.196 18.848 -4.566 1.00 0.00 H new ATOM 0 HB2 LYS A 56 12.659 21.240 -5.279 1.00 0.00 H new ATOM 0 HB3 LYS A 56 13.386 21.813 -3.792 1.00 0.00 H new ATOM 0 HG2 LYS A 56 15.569 20.745 -4.441 1.00 0.00 H new ATOM 0 HG3 LYS A 56 14.844 20.153 -5.922 1.00 0.00 H new ATOM 0 HD2 LYS A 56 14.356 22.524 -6.618 1.00 0.00 H new ATOM 0 HD3 LYS A 56 15.111 23.103 -5.147 1.00 0.00 H new ATOM 0 HE2 LYS A 56 17.275 22.003 -5.816 1.00 0.00 H new ATOM 0 HE3 LYS A 56 16.522 21.403 -7.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 17.702 23.467 -7.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 16.037 23.686 -7.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 16.767 24.268 -6.516 1.00 0.00 H new ATOM 692 N CYS A 57 13.991 20.174 -1.631 1.00 0.00 N ATOM 693 CA CYS A 57 14.951 20.061 -0.527 1.00 0.00 C ATOM 694 C CYS A 57 15.047 18.630 0.010 1.00 0.00 C ATOM 695 O CYS A 57 15.935 18.307 0.800 1.00 0.00 O ATOM 696 CB CYS A 57 14.529 21.029 0.600 1.00 0.00 C ATOM 697 SG CYS A 57 12.978 20.465 1.376 1.00 0.00 S ATOM 0 H CYS A 57 13.258 20.868 -1.486 1.00 0.00 H new ATOM 0 HA CYS A 57 15.940 20.325 -0.902 1.00 0.00 H new ATOM 0 HB2 CYS A 57 15.317 21.089 1.350 1.00 0.00 H new ATOM 0 HB3 CYS A 57 14.397 22.032 0.195 1.00 0.00 H new ATOM 0 HG CYS A 57 12.073 20.290 0.459 1.00 0.00 H new ATOM 703 N ARG A 58 14.105 17.769 -0.413 1.00 0.00 N ATOM 704 CA ARG A 58 14.058 16.373 0.053 1.00 0.00 C ATOM 705 C ARG A 58 14.988 15.484 -0.769 1.00 0.00 C ATOM 706 O ARG A 58 14.799 14.266 -0.838 1.00 0.00 O ATOM 707 CB ARG A 58 12.598 15.874 -0.016 1.00 0.00 C ATOM 708 CG ARG A 58 11.657 16.728 0.925 1.00 0.00 C ATOM 709 CD ARG A 58 11.308 15.923 2.192 1.00 0.00 C ATOM 710 NE ARG A 58 12.539 15.455 2.835 1.00 0.00 N ATOM 711 CZ ARG A 58 12.519 14.564 3.832 1.00 0.00 C ATOM 712 NH1 ARG A 58 11.379 14.084 4.253 1.00 0.00 N ATOM 713 NH2 ARG A 58 13.639 14.162 4.372 1.00 0.00 N ATOM 0 H ARG A 58 13.368 18.015 -1.075 1.00 0.00 H new ATOM 0 HA ARG A 58 14.407 16.324 1.084 1.00 0.00 H new ATOM 0 HB2 ARG A 58 12.239 15.932 -1.044 1.00 0.00 H new ATOM 0 HB3 ARG A 58 12.555 14.825 0.277 1.00 0.00 H new ATOM 0 HG2 ARG A 58 12.153 17.659 1.201 1.00 0.00 H new ATOM 0 HG3 ARG A 58 10.745 16.998 0.393 1.00 0.00 H new ATOM 0 HD2 ARG A 58 10.739 16.544 2.884 1.00 0.00 H new ATOM 0 HD3 ARG A 58 10.676 15.073 1.932 1.00 0.00 H new ATOM 0 HE ARG A 58 13.436 15.819 2.513 1.00 0.00 H new ATOM 0 HH11 ARG A 58 10.507 14.389 3.821 1.00 0.00 H new ATOM 0 HH12 ARG A 58 11.361 13.404 5.013 1.00 0.00 H new ATOM 0 HH21 ARG A 58 14.529 14.528 4.033 1.00 0.00 H new ATOM 0 HH22 ARG A 58 13.623 13.482 5.132 1.00 0.00 H new ATOM 727 N GLY A 59 15.993 16.113 -1.385 1.00 0.00 N ATOM 728 CA GLY A 59 16.988 15.398 -2.188 1.00 0.00 C ATOM 729 C GLY A 59 16.455 15.056 -3.574 1.00 0.00 C ATOM 730 O GLY A 59 16.935 14.119 -4.217 1.00 0.00 O ATOM 0 H GLY A 59 16.139 17.122 -1.342 1.00 0.00 H new ATOM 0 HA2 GLY A 59 17.885 16.009 -2.284 1.00 0.00 H new ATOM 0 HA3 GLY A 59 17.280 14.482 -1.674 1.00 0.00 H new ATOM 734 N HIS A 60 15.460 15.828 -4.049 1.00 0.00 N ATOM 735 CA HIS A 60 14.862 15.633 -5.390 1.00 0.00 C ATOM 736 C HIS A 60 15.331 16.779 -6.296 1.00 0.00 C ATOM 737 O HIS A 60 15.701 17.851 -5.821 1.00 0.00 O ATOM 738 CB HIS A 60 13.311 15.626 -5.291 1.00 0.00 C ATOM 739 CG HIS A 60 12.826 14.277 -4.841 1.00 0.00 C ATOM 740 ND1 HIS A 60 12.480 13.292 -5.748 1.00 0.00 N ATOM 741 CD2 HIS A 60 12.657 13.731 -3.601 1.00 0.00 C ATOM 742 CE1 HIS A 60 12.126 12.207 -5.042 1.00 0.00 C ATOM 743 NE2 HIS A 60 12.215 12.422 -3.726 1.00 0.00 N ATOM 0 H HIS A 60 15.049 16.599 -3.522 1.00 0.00 H new ATOM 0 HA HIS A 60 15.178 14.676 -5.805 1.00 0.00 H new ATOM 0 HB2 HIS A 60 12.981 16.392 -4.589 1.00 0.00 H new ATOM 0 HB3 HIS A 60 12.876 15.872 -6.260 1.00 0.00 H new ATOM 0 HD2 HIS A 60 12.839 14.240 -2.666 1.00 0.00 H new ATOM 0 HE1 HIS A 60 11.808 11.274 -5.483 1.00 0.00 H new ATOM 0 HE2 HIS A 60 12.003 11.765 -2.975 1.00 0.00 H new ATOM 751 N ALA A 61 15.347 16.522 -7.603 1.00 0.00 N ATOM 752 CA ALA A 61 15.791 17.496 -8.603 1.00 0.00 C ATOM 753 C ALA A 61 14.586 18.302 -9.073 1.00 0.00 C ATOM 754 O ALA A 61 13.454 17.979 -8.747 1.00 0.00 O ATOM 755 CB ALA A 61 16.429 16.751 -9.794 1.00 0.00 C ATOM 0 H ALA A 61 15.052 15.630 -8.001 1.00 0.00 H new ATOM 0 HA ALA A 61 16.531 18.169 -8.170 1.00 0.00 H new ATOM 0 HB1 ALA A 61 16.760 17.474 -10.540 1.00 0.00 H new ATOM 0 HB2 ALA A 61 17.284 16.172 -9.445 1.00 0.00 H new ATOM 0 HB3 ALA A 61 15.694 16.081 -10.240 1.00 0.00 H new ATOM 761 N ASP A 62 14.855 19.348 -9.847 1.00 0.00 N ATOM 762 CA ASP A 62 13.805 20.228 -10.382 1.00 0.00 C ATOM 763 C ASP A 62 13.052 19.579 -11.563 1.00 0.00 C ATOM 764 O ASP A 62 11.862 19.835 -11.764 1.00 0.00 O ATOM 765 CB ASP A 62 14.456 21.550 -10.869 1.00 0.00 C ATOM 766 CG ASP A 62 13.401 22.498 -11.455 1.00 0.00 C ATOM 767 OD1 ASP A 62 12.258 22.398 -11.053 1.00 0.00 O ATOM 768 OD2 ASP A 62 13.749 23.299 -12.308 1.00 0.00 O ATOM 0 H ASP A 62 15.800 19.615 -10.124 1.00 0.00 H new ATOM 0 HA ASP A 62 13.085 20.414 -9.585 1.00 0.00 H new ATOM 0 HB2 ASP A 62 14.966 22.037 -10.037 1.00 0.00 H new ATOM 0 HB3 ASP A 62 15.212 21.331 -11.623 1.00 0.00 H new ATOM 773 N ALA A 63 13.762 18.756 -12.341 1.00 0.00 N ATOM 774 CA ALA A 63 13.175 18.104 -13.529 1.00 0.00 C ATOM 775 C ALA A 63 12.301 16.907 -13.149 1.00 0.00 C ATOM 776 O ALA A 63 11.205 16.723 -13.701 1.00 0.00 O ATOM 777 CB ALA A 63 14.314 17.641 -14.465 1.00 0.00 C ATOM 0 H ALA A 63 14.741 18.522 -12.175 1.00 0.00 H new ATOM 0 HA ALA A 63 12.537 18.829 -14.035 1.00 0.00 H new ATOM 0 HB1 ALA A 63 13.888 17.158 -15.345 1.00 0.00 H new ATOM 0 HB2 ALA A 63 14.904 18.504 -14.774 1.00 0.00 H new ATOM 0 HB3 ALA A 63 14.954 16.934 -13.937 1.00 0.00 H new ATOM 783 N ASP A 64 12.798 16.081 -12.222 1.00 0.00 N ATOM 784 CA ASP A 64 12.084 14.863 -11.807 1.00 0.00 C ATOM 785 C ASP A 64 10.715 15.207 -11.231 1.00 0.00 C ATOM 786 O ASP A 64 9.739 14.487 -11.436 1.00 0.00 O ATOM 787 CB ASP A 64 12.925 14.090 -10.763 1.00 0.00 C ATOM 788 CG ASP A 64 12.266 12.749 -10.426 1.00 0.00 C ATOM 789 OD1 ASP A 64 12.542 11.786 -11.121 1.00 0.00 O ATOM 790 OD2 ASP A 64 11.484 12.712 -9.488 1.00 0.00 O ATOM 0 H ASP A 64 13.687 16.230 -11.745 1.00 0.00 H new ATOM 0 HA ASP A 64 11.935 14.233 -12.684 1.00 0.00 H new ATOM 0 HB2 ASP A 64 13.930 13.920 -11.151 1.00 0.00 H new ATOM 0 HB3 ASP A 64 13.029 14.688 -9.858 1.00 0.00 H new ATOM 795 N ILE A 65 10.656 16.323 -10.505 1.00 0.00 N ATOM 796 CA ILE A 65 9.409 16.791 -9.890 1.00 0.00 C ATOM 797 C ILE A 65 8.462 17.324 -10.955 1.00 0.00 C ATOM 798 O ILE A 65 7.247 17.154 -10.852 1.00 0.00 O ATOM 799 CB ILE A 65 9.715 17.902 -8.845 1.00 0.00 C ATOM 800 CG1 ILE A 65 10.566 17.302 -7.688 1.00 0.00 C ATOM 801 CG2 ILE A 65 8.388 18.484 -8.270 1.00 0.00 C ATOM 802 CD1 ILE A 65 11.083 18.401 -6.743 1.00 0.00 C ATOM 0 H ILE A 65 11.460 16.924 -10.326 1.00 0.00 H new ATOM 0 HA ILE A 65 8.931 15.951 -9.386 1.00 0.00 H new ATOM 0 HB ILE A 65 10.269 18.705 -9.332 1.00 0.00 H new ATOM 0 HG12 ILE A 65 9.965 16.589 -7.124 1.00 0.00 H new ATOM 0 HG13 ILE A 65 11.410 16.750 -8.103 1.00 0.00 H new ATOM 0 HG21 ILE A 65 8.617 19.260 -7.540 1.00 0.00 H new ATOM 0 HG22 ILE A 65 7.797 18.911 -9.080 1.00 0.00 H new ATOM 0 HG23 ILE A 65 7.821 17.688 -7.787 1.00 0.00 H new ATOM 0 HD11 ILE A 65 11.673 17.948 -5.947 1.00 0.00 H new ATOM 0 HD12 ILE A 65 11.705 19.100 -7.303 1.00 0.00 H new ATOM 0 HD13 ILE A 65 10.238 18.935 -6.309 1.00 0.00 H new ATOM 814 N GLU A 66 9.021 18.017 -11.960 1.00 0.00 N ATOM 815 CA GLU A 66 8.196 18.625 -13.015 1.00 0.00 C ATOM 816 C GLU A 66 7.305 17.574 -13.677 1.00 0.00 C ATOM 817 O GLU A 66 6.144 17.837 -13.980 1.00 0.00 O ATOM 818 CB GLU A 66 9.104 19.292 -14.076 1.00 0.00 C ATOM 819 CG GLU A 66 8.257 20.103 -15.097 1.00 0.00 C ATOM 820 CD GLU A 66 9.146 20.785 -16.144 1.00 0.00 C ATOM 821 OE1 GLU A 66 10.302 20.409 -16.272 1.00 0.00 O ATOM 822 OE2 GLU A 66 8.649 21.675 -16.820 1.00 0.00 O ATOM 0 H GLU A 66 10.024 18.169 -12.064 1.00 0.00 H new ATOM 0 HA GLU A 66 7.557 19.383 -12.561 1.00 0.00 H new ATOM 0 HB2 GLU A 66 9.820 19.952 -13.586 1.00 0.00 H new ATOM 0 HB3 GLU A 66 9.680 18.529 -14.599 1.00 0.00 H new ATOM 0 HG2 GLU A 66 7.550 19.439 -15.594 1.00 0.00 H new ATOM 0 HG3 GLU A 66 7.671 20.855 -14.570 1.00 0.00 H new ATOM 829 N ALA A 67 7.873 16.381 -13.887 1.00 0.00 N ATOM 830 CA ALA A 67 7.143 15.273 -14.518 1.00 0.00 C ATOM 831 C ALA A 67 5.900 14.908 -13.703 1.00 0.00 C ATOM 832 O ALA A 67 4.809 14.736 -14.257 1.00 0.00 O ATOM 833 CB ALA A 67 8.059 14.035 -14.634 1.00 0.00 C ATOM 0 H ALA A 67 8.834 16.157 -13.630 1.00 0.00 H new ATOM 0 HA ALA A 67 6.832 15.594 -15.512 1.00 0.00 H new ATOM 0 HB1 ALA A 67 7.510 13.219 -15.103 1.00 0.00 H new ATOM 0 HB2 ALA A 67 8.930 14.282 -15.241 1.00 0.00 H new ATOM 0 HB3 ALA A 67 8.385 13.729 -13.640 1.00 0.00 H new ATOM 839 N VAL A 68 6.082 14.793 -12.377 1.00 0.00 N ATOM 840 CA VAL A 68 4.978 14.435 -11.477 1.00 0.00 C ATOM 841 C VAL A 68 3.892 15.501 -11.547 1.00 0.00 C ATOM 842 O VAL A 68 2.727 15.182 -11.739 1.00 0.00 O ATOM 843 CB VAL A 68 5.492 14.306 -10.009 1.00 0.00 C ATOM 844 CG1 VAL A 68 4.340 13.871 -9.049 1.00 0.00 C ATOM 845 CG2 VAL A 68 6.647 13.273 -9.962 1.00 0.00 C ATOM 0 H VAL A 68 6.976 14.942 -11.909 1.00 0.00 H new ATOM 0 HA VAL A 68 4.568 13.475 -11.791 1.00 0.00 H new ATOM 0 HB VAL A 68 5.855 15.278 -9.676 1.00 0.00 H new ATOM 0 HG11 VAL A 68 4.725 13.789 -8.033 1.00 0.00 H new ATOM 0 HG12 VAL A 68 3.543 14.615 -9.076 1.00 0.00 H new ATOM 0 HG13 VAL A 68 3.946 12.906 -9.367 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.010 13.179 -8.938 1.00 0.00 H new ATOM 0 HG22 VAL A 68 6.284 12.305 -10.309 1.00 0.00 H new ATOM 0 HG23 VAL A 68 7.460 13.607 -10.606 1.00 0.00 H new ATOM 855 N PHE A 69 4.291 16.775 -11.385 1.00 0.00 N ATOM 856 CA PHE A 69 3.331 17.885 -11.423 1.00 0.00 C ATOM 857 C PHE A 69 2.662 17.957 -12.805 1.00 0.00 C ATOM 858 O PHE A 69 1.445 17.964 -12.910 1.00 0.00 O ATOM 859 CB PHE A 69 4.057 19.216 -11.116 1.00 0.00 C ATOM 860 CG PHE A 69 3.064 20.397 -11.258 1.00 0.00 C ATOM 861 CD1 PHE A 69 2.019 20.536 -10.325 1.00 0.00 C ATOM 862 CD2 PHE A 69 3.163 21.314 -12.335 1.00 0.00 C ATOM 863 CE1 PHE A 69 1.085 21.573 -10.461 1.00 0.00 C ATOM 864 CE2 PHE A 69 2.227 22.359 -12.463 1.00 0.00 C ATOM 865 CZ PHE A 69 1.188 22.485 -11.525 1.00 0.00 C ATOM 0 H PHE A 69 5.259 17.056 -11.229 1.00 0.00 H new ATOM 0 HA PHE A 69 2.562 17.716 -10.669 1.00 0.00 H new ATOM 0 HB2 PHE A 69 4.468 19.193 -10.107 1.00 0.00 H new ATOM 0 HB3 PHE A 69 4.896 19.350 -11.799 1.00 0.00 H new ATOM 0 HD1 PHE A 69 1.936 19.842 -9.502 1.00 0.00 H new ATOM 0 HD2 PHE A 69 3.958 21.211 -13.059 1.00 0.00 H new ATOM 0 HE1 PHE A 69 0.283 21.671 -9.745 1.00 0.00 H new ATOM 0 HE2 PHE A 69 2.308 23.061 -13.280 1.00 0.00 H new ATOM 0 HZ PHE A 69 0.468 23.284 -11.622 1.00 0.00 H new ATOM 875 N ALA A 70 3.489 18.040 -13.857 1.00 0.00 N ATOM 876 CA ALA A 70 2.991 18.145 -15.257 1.00 0.00 C ATOM 877 C ALA A 70 1.787 17.208 -15.469 1.00 0.00 C ATOM 878 O ALA A 70 0.785 17.589 -16.035 1.00 0.00 O ATOM 879 CB ALA A 70 4.127 17.802 -16.247 1.00 0.00 C ATOM 0 H ALA A 70 4.506 18.037 -13.777 1.00 0.00 H new ATOM 0 HA ALA A 70 2.664 19.168 -15.441 1.00 0.00 H new ATOM 0 HB1 ALA A 70 3.755 17.881 -17.269 1.00 0.00 H new ATOM 0 HB2 ALA A 70 4.954 18.498 -16.107 1.00 0.00 H new ATOM 0 HB3 ALA A 70 4.474 16.785 -16.065 1.00 0.00 H new ATOM 885 N LYS A 71 1.886 16.003 -14.954 1.00 0.00 N ATOM 886 CA LYS A 71 0.810 15.009 -15.053 1.00 0.00 C ATOM 887 C LYS A 71 -0.574 15.588 -14.623 1.00 0.00 C ATOM 888 O LYS A 71 -1.615 14.984 -14.867 1.00 0.00 O ATOM 889 CB LYS A 71 1.155 13.791 -14.145 1.00 0.00 C ATOM 890 CG LYS A 71 0.282 12.565 -14.525 1.00 0.00 C ATOM 891 CD LYS A 71 0.450 11.410 -13.513 1.00 0.00 C ATOM 892 CE LYS A 71 -0.388 10.194 -13.975 1.00 0.00 C ATOM 893 NZ LYS A 71 0.111 9.756 -15.311 1.00 0.00 N ATOM 0 H LYS A 71 2.710 15.672 -14.452 1.00 0.00 H new ATOM 0 HA LYS A 71 0.734 14.709 -16.098 1.00 0.00 H new ATOM 0 HB2 LYS A 71 2.210 13.540 -14.249 1.00 0.00 H new ATOM 0 HB3 LYS A 71 0.991 14.051 -13.099 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -0.766 12.863 -14.567 1.00 0.00 H new ATOM 0 HG3 LYS A 71 0.555 12.218 -15.522 1.00 0.00 H new ATOM 0 HD2 LYS A 71 1.501 11.132 -13.433 1.00 0.00 H new ATOM 0 HD3 LYS A 71 0.129 11.731 -12.522 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -0.305 9.381 -13.254 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -1.443 10.461 -14.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -0.125 8.754 -15.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -0.336 10.330 -16.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 1.143 9.878 -15.353 1.00 0.00 H new ATOM 907 N TYR A 72 -0.561 16.775 -13.995 1.00 0.00 N ATOM 908 CA TYR A 72 -1.777 17.451 -13.498 1.00 0.00 C ATOM 909 C TYR A 72 -2.024 18.773 -14.221 1.00 0.00 C ATOM 910 O TYR A 72 -2.994 19.481 -13.922 1.00 0.00 O ATOM 911 CB TYR A 72 -1.599 17.701 -11.985 1.00 0.00 C ATOM 912 CG TYR A 72 -1.507 16.346 -11.269 1.00 0.00 C ATOM 913 CD1 TYR A 72 -2.688 15.668 -10.928 1.00 0.00 C ATOM 914 CD2 TYR A 72 -0.259 15.770 -10.953 1.00 0.00 C ATOM 915 CE1 TYR A 72 -2.628 14.437 -10.272 1.00 0.00 C ATOM 916 CE2 TYR A 72 -0.207 14.529 -10.294 1.00 0.00 C ATOM 917 CZ TYR A 72 -1.394 13.870 -9.954 1.00 0.00 C ATOM 918 OH TYR A 72 -1.353 12.662 -9.295 1.00 0.00 O ATOM 0 H TYR A 72 0.296 17.298 -13.815 1.00 0.00 H new ATOM 0 HA TYR A 72 -2.642 16.816 -13.688 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -0.698 18.287 -11.802 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -2.438 18.278 -11.596 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -3.647 16.100 -11.174 1.00 0.00 H new ATOM 0 HD2 TYR A 72 0.655 16.281 -11.217 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -3.540 13.922 -10.010 1.00 0.00 H new ATOM 0 HE2 TYR A 72 0.747 14.085 -10.051 1.00 0.00 H new ATOM 0 HH TYR A 72 -0.420 12.401 -9.147 1.00 0.00 H new ATOM 928 N ASP A 73 -1.138 19.127 -15.169 1.00 0.00 N ATOM 929 CA ASP A 73 -1.262 20.393 -15.914 1.00 0.00 C ATOM 930 C ASP A 73 -2.205 20.226 -17.102 1.00 0.00 C ATOM 931 O ASP A 73 -1.822 20.476 -18.245 1.00 0.00 O ATOM 932 CB ASP A 73 0.138 20.871 -16.399 1.00 0.00 C ATOM 933 CG ASP A 73 0.798 19.901 -17.384 1.00 0.00 C ATOM 934 OD1 ASP A 73 0.131 19.006 -17.866 1.00 0.00 O ATOM 935 OD2 ASP A 73 1.975 20.084 -17.651 1.00 0.00 O ATOM 0 H ASP A 73 -0.334 18.559 -15.436 1.00 0.00 H new ATOM 0 HA ASP A 73 -1.679 21.147 -15.247 1.00 0.00 H new ATOM 0 HB2 ASP A 73 0.038 21.848 -16.873 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.790 21.001 -15.535 1.00 0.00 H new ATOM 940 N VAL A 74 -3.457 19.812 -16.831 1.00 0.00 N ATOM 941 CA VAL A 74 -4.462 19.635 -17.899 1.00 0.00 C ATOM 942 C VAL A 74 -4.463 20.856 -18.848 1.00 0.00 C ATOM 943 O VAL A 74 -4.386 20.699 -20.069 1.00 0.00 O ATOM 944 CB VAL A 74 -5.866 19.410 -17.256 1.00 0.00 C ATOM 945 CG1 VAL A 74 -5.849 18.092 -16.427 1.00 0.00 C ATOM 946 CG2 VAL A 74 -6.253 20.617 -16.340 1.00 0.00 C ATOM 0 H VAL A 74 -3.795 19.596 -15.893 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.210 18.759 -18.496 1.00 0.00 H new ATOM 0 HB VAL A 74 -6.610 19.332 -18.048 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -6.829 17.933 -15.977 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -5.610 17.254 -17.081 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.097 18.166 -15.642 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -7.235 20.441 -15.901 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.514 20.722 -15.545 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -6.280 21.531 -16.934 1.00 0.00 H new ATOM 956 N ASP A 75 -4.479 22.062 -18.263 1.00 0.00 N ATOM 957 CA ASP A 75 -4.412 23.323 -19.030 1.00 0.00 C ATOM 958 C ASP A 75 -3.108 24.068 -18.697 1.00 0.00 C ATOM 959 O ASP A 75 -2.702 24.985 -19.424 1.00 0.00 O ATOM 960 CB ASP A 75 -5.646 24.180 -18.638 1.00 0.00 C ATOM 961 CG ASP A 75 -5.755 24.336 -17.112 1.00 0.00 C ATOM 962 OD1 ASP A 75 -4.734 24.553 -16.481 1.00 0.00 O ATOM 963 OD2 ASP A 75 -6.859 24.235 -16.599 1.00 0.00 O ATOM 0 H ASP A 75 -4.538 22.195 -17.253 1.00 0.00 H new ATOM 0 HA ASP A 75 -4.420 23.125 -20.102 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -5.571 25.163 -19.102 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -6.553 23.714 -19.024 1.00 0.00 H new ATOM 968 N GLY A 76 -2.458 23.670 -17.594 1.00 0.00 N ATOM 969 CA GLY A 76 -1.204 24.295 -17.162 1.00 0.00 C ATOM 970 C GLY A 76 -1.370 25.791 -16.942 1.00 0.00 C ATOM 971 O GLY A 76 -0.465 26.578 -17.240 1.00 0.00 O ATOM 0 H GLY A 76 -2.782 22.918 -16.986 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.863 23.827 -16.239 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -0.433 24.120 -17.912 1.00 0.00 H new ATOM 975 N ASP A 77 -2.550 26.195 -16.434 1.00 0.00 N ATOM 976 CA ASP A 77 -2.830 27.618 -16.177 1.00 0.00 C ATOM 977 C ASP A 77 -1.965 28.110 -15.007 1.00 0.00 C ATOM 978 O ASP A 77 -2.016 29.282 -14.655 1.00 0.00 O ATOM 979 CB ASP A 77 -4.336 27.821 -15.874 1.00 0.00 C ATOM 980 CG ASP A 77 -4.645 29.303 -15.605 1.00 0.00 C ATOM 981 OD1 ASP A 77 -4.073 30.137 -16.292 1.00 0.00 O ATOM 982 OD2 ASP A 77 -5.421 29.585 -14.704 1.00 0.00 O ATOM 0 H ASP A 77 -3.315 25.564 -16.196 1.00 0.00 H new ATOM 0 HA ASP A 77 -2.582 28.201 -17.064 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -4.932 27.468 -16.716 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -4.621 27.223 -15.009 1.00 0.00 H new ATOM 987 N ARG A 78 -1.165 27.193 -14.434 1.00 0.00 N ATOM 988 CA ARG A 78 -0.236 27.505 -13.331 1.00 0.00 C ATOM 989 C ARG A 78 -0.980 27.744 -12.024 1.00 0.00 C ATOM 990 O ARG A 78 -0.484 28.442 -11.136 1.00 0.00 O ATOM 991 CB ARG A 78 0.664 28.725 -13.672 1.00 0.00 C ATOM 992 CG ARG A 78 1.418 28.449 -14.995 1.00 0.00 C ATOM 993 CD ARG A 78 2.278 29.653 -15.384 1.00 0.00 C ATOM 994 NE ARG A 78 3.264 29.893 -14.325 1.00 0.00 N ATOM 995 CZ ARG A 78 4.350 29.123 -14.173 1.00 0.00 C ATOM 996 NH1 ARG A 78 4.563 28.115 -14.983 1.00 0.00 N ATOM 997 NH2 ARG A 78 5.182 29.361 -13.201 1.00 0.00 N ATOM 0 H ARG A 78 -1.144 26.215 -14.722 1.00 0.00 H new ATOM 0 HA ARG A 78 0.407 26.634 -13.201 1.00 0.00 H new ATOM 0 HB2 ARG A 78 0.056 29.625 -13.767 1.00 0.00 H new ATOM 0 HB3 ARG A 78 1.375 28.904 -12.865 1.00 0.00 H new ATOM 0 HG2 ARG A 78 2.047 27.566 -14.884 1.00 0.00 H new ATOM 0 HG3 ARG A 78 0.703 28.233 -15.789 1.00 0.00 H new ATOM 0 HD2 ARG A 78 2.781 29.466 -16.333 1.00 0.00 H new ATOM 0 HD3 ARG A 78 1.652 30.534 -15.523 1.00 0.00 H new ATOM 0 HE ARG A 78 3.118 30.672 -13.683 1.00 0.00 H new ATOM 0 HH11 ARG A 78 3.901 27.914 -15.732 1.00 0.00 H new ATOM 0 HH12 ARG A 78 5.391 27.531 -14.864 1.00 0.00 H new ATOM 0 HH21 ARG A 78 5.007 30.132 -12.557 1.00 0.00 H new ATOM 0 HH22 ARG A 78 6.009 28.776 -13.083 1.00 0.00 H new ATOM 1011 N VAL A 79 -2.171 27.137 -11.901 1.00 0.00 N ATOM 1012 CA VAL A 79 -2.958 27.236 -10.661 1.00 0.00 C ATOM 1013 C VAL A 79 -3.729 25.959 -10.444 1.00 0.00 C ATOM 1014 O VAL A 79 -4.532 25.561 -11.290 1.00 0.00 O ATOM 1015 CB VAL A 79 -3.938 28.442 -10.735 1.00 0.00 C ATOM 1016 CG1 VAL A 79 -5.002 28.249 -11.867 1.00 0.00 C ATOM 1017 CG2 VAL A 79 -4.641 28.661 -9.358 1.00 0.00 C ATOM 0 H VAL A 79 -2.606 26.579 -12.635 1.00 0.00 H new ATOM 0 HA VAL A 79 -2.277 27.392 -9.824 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.353 29.329 -10.976 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -5.670 29.110 -11.890 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -4.497 28.156 -12.829 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.581 27.346 -11.672 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -5.323 29.509 -9.428 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -5.202 27.766 -9.089 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -3.890 28.862 -8.594 1.00 0.00 H new ATOM 1027 N LEU A 80 -3.428 25.299 -9.314 1.00 0.00 N ATOM 1028 CA LEU A 80 -4.056 24.045 -8.995 1.00 0.00 C ATOM 1029 C LEU A 80 -5.508 24.341 -8.589 1.00 0.00 C ATOM 1030 O LEU A 80 -5.785 25.335 -7.917 1.00 0.00 O ATOM 1031 CB LEU A 80 -3.295 23.343 -7.829 1.00 0.00 C ATOM 1032 CG LEU A 80 -3.726 21.820 -7.748 1.00 0.00 C ATOM 1033 CD1 LEU A 80 -2.812 20.936 -8.641 1.00 0.00 C ATOM 1034 CD2 LEU A 80 -3.712 21.286 -6.292 1.00 0.00 C ATOM 0 H LEU A 80 -2.755 25.626 -8.621 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.034 23.376 -9.855 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.219 23.418 -7.987 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.514 23.843 -6.886 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.750 21.764 -8.117 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.128 19.895 -8.568 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.887 21.266 -9.677 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.779 21.025 -8.305 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.014 20.239 -6.286 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.706 21.376 -5.881 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.406 21.867 -5.685 1.00 0.00 H new ATOM 1046 N ASP A 81 -6.427 23.469 -9.023 1.00 0.00 N ATOM 1047 CA ASP A 81 -7.852 23.638 -8.716 1.00 0.00 C ATOM 1048 C ASP A 81 -8.115 23.162 -7.282 1.00 0.00 C ATOM 1049 O ASP A 81 -7.417 22.275 -6.767 1.00 0.00 O ATOM 1050 CB ASP A 81 -8.741 22.848 -9.754 1.00 0.00 C ATOM 1051 CG ASP A 81 -9.893 23.714 -10.296 1.00 0.00 C ATOM 1052 OD1 ASP A 81 -10.922 23.768 -9.638 1.00 0.00 O ATOM 1053 OD2 ASP A 81 -9.712 24.326 -11.332 1.00 0.00 O ATOM 0 H ASP A 81 -6.211 22.645 -9.584 1.00 0.00 H new ATOM 0 HA ASP A 81 -8.121 24.691 -8.794 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -8.119 22.511 -10.583 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -9.149 21.956 -9.278 1.00 0.00 H new ATOM 1058 N ALA A 82 -9.136 23.753 -6.655 1.00 0.00 N ATOM 1059 CA ALA A 82 -9.521 23.404 -5.288 1.00 0.00 C ATOM 1060 C ALA A 82 -9.919 21.926 -5.207 1.00 0.00 C ATOM 1061 O ALA A 82 -9.474 21.204 -4.312 1.00 0.00 O ATOM 1062 CB ALA A 82 -10.709 24.287 -4.848 1.00 0.00 C ATOM 0 H ALA A 82 -9.713 24.480 -7.077 1.00 0.00 H new ATOM 0 HA ALA A 82 -8.672 23.575 -4.626 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -10.997 24.028 -3.829 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -10.416 25.336 -4.887 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -11.553 24.121 -5.517 1.00 0.00 H new ATOM 1068 N GLU A 83 -10.766 21.482 -6.150 1.00 0.00 N ATOM 1069 CA GLU A 83 -11.229 20.091 -6.181 1.00 0.00 C ATOM 1070 C GLU A 83 -10.120 19.177 -6.671 1.00 0.00 C ATOM 1071 O GLU A 83 -10.045 18.016 -6.267 1.00 0.00 O ATOM 1072 CB GLU A 83 -12.465 19.959 -7.113 1.00 0.00 C ATOM 1073 CG GLU A 83 -13.108 18.548 -6.989 1.00 0.00 C ATOM 1074 CD GLU A 83 -14.348 18.412 -7.883 1.00 0.00 C ATOM 1075 OE1 GLU A 83 -14.911 19.424 -8.263 1.00 0.00 O ATOM 1076 OE2 GLU A 83 -14.728 17.283 -8.158 1.00 0.00 O ATOM 0 H GLU A 83 -11.141 22.066 -6.897 1.00 0.00 H new ATOM 0 HA GLU A 83 -11.510 19.797 -5.170 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -13.201 20.722 -6.858 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -12.167 20.137 -8.146 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -12.376 17.788 -7.263 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -13.385 18.364 -5.951 1.00 0.00 H new ATOM 1083 N GLU A 84 -9.271 19.693 -7.579 1.00 0.00 N ATOM 1084 CA GLU A 84 -8.177 18.884 -8.151 1.00 0.00 C ATOM 1085 C GLU A 84 -7.296 18.341 -7.036 1.00 0.00 C ATOM 1086 O GLU A 84 -6.834 17.202 -7.107 1.00 0.00 O ATOM 1087 CB GLU A 84 -7.319 19.731 -9.138 1.00 0.00 C ATOM 1088 CG GLU A 84 -6.135 18.910 -9.736 1.00 0.00 C ATOM 1089 CD GLU A 84 -6.651 17.725 -10.553 1.00 0.00 C ATOM 1090 OE1 GLU A 84 -7.661 17.890 -11.216 1.00 0.00 O ATOM 1091 OE2 GLU A 84 -6.033 16.672 -10.506 1.00 0.00 O ATOM 0 H GLU A 84 -9.319 20.650 -7.928 1.00 0.00 H new ATOM 0 HA GLU A 84 -8.617 18.053 -8.702 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -7.952 20.096 -9.947 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -6.928 20.606 -8.619 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -5.523 19.554 -10.368 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -5.493 18.550 -8.931 1.00 0.00 H new ATOM 1098 N GLN A 85 -7.067 19.162 -6.008 1.00 0.00 N ATOM 1099 CA GLN A 85 -6.226 18.749 -4.876 1.00 0.00 C ATOM 1100 C GLN A 85 -6.805 17.519 -4.198 1.00 0.00 C ATOM 1101 O GLN A 85 -6.067 16.599 -3.830 1.00 0.00 O ATOM 1102 CB GLN A 85 -6.113 19.907 -3.851 1.00 0.00 C ATOM 1103 CG GLN A 85 -4.917 19.678 -2.892 1.00 0.00 C ATOM 1104 CD GLN A 85 -4.866 20.769 -1.821 1.00 0.00 C ATOM 1105 OE1 GLN A 85 -4.936 20.483 -0.625 1.00 0.00 O ATOM 1106 NE2 GLN A 85 -4.759 22.009 -2.192 1.00 0.00 N ATOM 0 H GLN A 85 -7.446 20.106 -5.933 1.00 0.00 H new ATOM 0 HA GLN A 85 -5.234 18.503 -5.256 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -5.987 20.853 -4.377 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -7.036 19.982 -3.277 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -5.006 18.700 -2.418 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -3.986 19.674 -3.459 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -4.701 22.242 -3.183 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -4.733 22.750 -1.492 1.00 0.00 H new ATOM 1115 N MET A 86 -8.133 17.507 -4.032 1.00 0.00 N ATOM 1116 CA MET A 86 -8.806 16.378 -3.395 1.00 0.00 C ATOM 1117 C MET A 86 -8.539 15.114 -4.199 1.00 0.00 C ATOM 1118 O MET A 86 -8.134 14.086 -3.655 1.00 0.00 O ATOM 1119 CB MET A 86 -10.329 16.648 -3.307 1.00 0.00 C ATOM 1120 CG MET A 86 -11.029 15.559 -2.472 1.00 0.00 C ATOM 1121 SD MET A 86 -12.800 15.907 -2.364 1.00 0.00 S ATOM 1122 CE MET A 86 -13.223 14.445 -1.384 1.00 0.00 C ATOM 0 H MET A 86 -8.754 18.260 -4.328 1.00 0.00 H new ATOM 0 HA MET A 86 -8.420 16.248 -2.384 1.00 0.00 H new ATOM 0 HB2 MET A 86 -10.504 17.626 -2.858 1.00 0.00 H new ATOM 0 HB3 MET A 86 -10.757 16.676 -4.309 1.00 0.00 H new ATOM 0 HG2 MET A 86 -10.869 14.581 -2.927 1.00 0.00 H new ATOM 0 HG3 MET A 86 -10.596 15.521 -1.473 1.00 0.00 H new ATOM 0 HE1 MET A 86 -14.295 14.438 -1.184 1.00 0.00 H new ATOM 0 HE2 MET A 86 -12.951 13.546 -1.936 1.00 0.00 H new ATOM 0 HE3 MET A 86 -12.678 14.470 -0.440 1.00 0.00 H new ATOM 1132 N LYS A 87 -8.788 15.209 -5.512 1.00 0.00 N ATOM 1133 CA LYS A 87 -8.586 14.076 -6.420 1.00 0.00 C ATOM 1134 C LYS A 87 -7.141 13.585 -6.328 1.00 0.00 C ATOM 1135 O LYS A 87 -6.890 12.380 -6.284 1.00 0.00 O ATOM 1136 CB LYS A 87 -8.911 14.484 -7.883 1.00 0.00 C ATOM 1137 CG LYS A 87 -8.842 13.245 -8.821 1.00 0.00 C ATOM 1138 CD LYS A 87 -9.201 13.630 -10.272 1.00 0.00 C ATOM 1139 CE LYS A 87 -9.142 12.385 -11.182 1.00 0.00 C ATOM 1140 NZ LYS A 87 -9.498 12.785 -12.565 1.00 0.00 N ATOM 0 H LYS A 87 -9.128 16.056 -5.966 1.00 0.00 H new ATOM 0 HA LYS A 87 -9.259 13.271 -6.125 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -9.905 14.929 -7.931 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -8.205 15.243 -8.221 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -7.840 12.817 -8.792 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -9.527 12.476 -8.465 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -10.199 14.066 -10.304 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -8.509 14.389 -10.637 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -8.143 11.949 -11.161 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -9.831 11.621 -10.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -9.461 11.953 -13.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -10.459 13.183 -12.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -8.824 13.501 -12.904 1.00 0.00 H new ATOM 1154 N MET A 88 -6.201 14.534 -6.301 1.00 0.00 N ATOM 1155 CA MET A 88 -4.777 14.194 -6.205 1.00 0.00 C ATOM 1156 C MET A 88 -4.532 13.377 -4.928 1.00 0.00 C ATOM 1157 O MET A 88 -4.145 12.224 -5.003 1.00 0.00 O ATOM 1158 CB MET A 88 -3.925 15.486 -6.166 1.00 0.00 C ATOM 1159 CG MET A 88 -2.421 15.159 -6.310 1.00 0.00 C ATOM 1160 SD MET A 88 -1.438 16.672 -6.096 1.00 0.00 S ATOM 1161 CE MET A 88 -1.365 17.197 -7.825 1.00 0.00 C ATOM 0 H MET A 88 -6.396 15.534 -6.344 1.00 0.00 H new ATOM 0 HA MET A 88 -4.490 13.606 -7.076 1.00 0.00 H new ATOM 0 HB2 MET A 88 -4.234 16.155 -6.969 1.00 0.00 H new ATOM 0 HB3 MET A 88 -4.099 16.013 -5.228 1.00 0.00 H new ATOM 0 HG2 MET A 88 -2.128 14.416 -5.568 1.00 0.00 H new ATOM 0 HG3 MET A 88 -2.226 14.724 -7.290 1.00 0.00 H new ATOM 0 HE1 MET A 88 -1.336 18.286 -7.874 1.00 0.00 H new ATOM 0 HE2 MET A 88 -0.468 16.789 -8.292 1.00 0.00 H new ATOM 0 HE3 MET A 88 -2.246 16.833 -8.353 1.00 0.00 H new ATOM 1171 N ALA A 89 -4.797 13.985 -3.764 1.00 0.00 N ATOM 1172 CA ALA A 89 -4.624 13.305 -2.461 1.00 0.00 C ATOM 1173 C ALA A 89 -5.182 11.871 -2.503 1.00 0.00 C ATOM 1174 O ALA A 89 -4.536 10.920 -2.053 1.00 0.00 O ATOM 1175 CB ALA A 89 -5.334 14.116 -1.355 1.00 0.00 C ATOM 0 H ALA A 89 -5.132 14.946 -3.692 1.00 0.00 H new ATOM 0 HA ALA A 89 -3.558 13.245 -2.243 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -5.206 13.614 -0.396 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -4.902 15.115 -1.302 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -6.397 14.192 -1.585 1.00 0.00 H new ATOM 1181 N HIS A 90 -6.378 11.741 -3.089 1.00 0.00 N ATOM 1182 CA HIS A 90 -7.036 10.441 -3.246 1.00 0.00 C ATOM 1183 C HIS A 90 -6.217 9.555 -4.192 1.00 0.00 C ATOM 1184 O HIS A 90 -6.143 8.345 -4.005 1.00 0.00 O ATOM 1185 CB HIS A 90 -8.474 10.626 -3.803 1.00 0.00 C ATOM 1186 CG HIS A 90 -9.164 9.285 -3.902 1.00 0.00 C ATOM 1187 ND1 HIS A 90 -9.885 8.748 -2.850 1.00 0.00 N ATOM 1188 CD2 HIS A 90 -9.197 8.344 -4.900 1.00 0.00 C ATOM 1189 CE1 HIS A 90 -10.313 7.531 -3.231 1.00 0.00 C ATOM 1190 NE2 HIS A 90 -9.922 7.236 -4.474 1.00 0.00 N ATOM 0 H HIS A 90 -6.911 12.526 -3.464 1.00 0.00 H new ATOM 0 HA HIS A 90 -7.100 9.960 -2.270 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -9.043 11.290 -3.152 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -8.435 11.098 -4.785 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -8.731 8.448 -5.869 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -10.901 6.873 -2.608 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -10.114 6.382 -4.998 1.00 0.00 H new ATOM 1198 N ASP A 91 -5.621 10.179 -5.221 1.00 0.00 N ATOM 1199 CA ASP A 91 -4.807 9.446 -6.208 1.00 0.00 C ATOM 1200 C ASP A 91 -3.615 8.774 -5.518 1.00 0.00 C ATOM 1201 O ASP A 91 -3.352 7.595 -5.717 1.00 0.00 O ATOM 1202 CB ASP A 91 -4.303 10.387 -7.339 1.00 0.00 C ATOM 1203 CG ASP A 91 -3.652 9.585 -8.473 1.00 0.00 C ATOM 1204 OD1 ASP A 91 -4.385 9.043 -9.281 1.00 0.00 O ATOM 1205 OD2 ASP A 91 -2.432 9.522 -8.507 1.00 0.00 O ATOM 0 H ASP A 91 -5.686 11.183 -5.392 1.00 0.00 H new ATOM 0 HA ASP A 91 -5.440 8.682 -6.660 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -5.137 10.968 -7.732 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -3.584 11.098 -6.932 1.00 0.00 H new ATOM 1210 N LEU A 92 -2.893 9.551 -4.703 1.00 0.00 N ATOM 1211 CA LEU A 92 -1.715 9.048 -3.991 1.00 0.00 C ATOM 1212 C LEU A 92 -2.065 7.780 -3.201 1.00 0.00 C ATOM 1213 O LEU A 92 -1.476 6.722 -3.417 1.00 0.00 O ATOM 1214 CB LEU A 92 -1.182 10.159 -3.018 1.00 0.00 C ATOM 1215 CG LEU A 92 -0.225 11.163 -3.739 1.00 0.00 C ATOM 1216 CD1 LEU A 92 -0.968 11.898 -4.871 1.00 0.00 C ATOM 1217 CD2 LEU A 92 0.340 12.193 -2.715 1.00 0.00 C ATOM 0 H LEU A 92 -3.105 10.532 -4.521 1.00 0.00 H new ATOM 0 HA LEU A 92 -0.941 8.797 -4.716 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -2.025 10.704 -2.594 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -0.655 9.690 -2.187 1.00 0.00 H new ATOM 0 HG LEU A 92 0.603 10.602 -4.173 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -0.287 12.593 -5.362 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -1.333 11.172 -5.598 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -1.811 12.449 -4.455 1.00 0.00 H new ATOM 0 HD21 LEU A 92 1.005 12.888 -3.227 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -0.483 12.746 -2.263 1.00 0.00 H new ATOM 0 HD23 LEU A 92 0.894 11.667 -1.937 1.00 0.00 H new ATOM 1229 N GLU A 93 -3.042 7.896 -2.301 1.00 0.00 N ATOM 1230 CA GLU A 93 -3.469 6.757 -1.490 1.00 0.00 C ATOM 1231 C GLU A 93 -4.122 5.696 -2.382 1.00 0.00 C ATOM 1232 O GLU A 93 -3.808 4.511 -2.298 1.00 0.00 O ATOM 1233 CB GLU A 93 -4.461 7.246 -0.416 1.00 0.00 C ATOM 1234 CG GLU A 93 -3.766 8.245 0.546 1.00 0.00 C ATOM 1235 CD GLU A 93 -4.736 8.754 1.623 1.00 0.00 C ATOM 1236 OE1 GLU A 93 -5.886 8.342 1.619 1.00 0.00 O ATOM 1237 OE2 GLU A 93 -4.306 9.550 2.444 1.00 0.00 O ATOM 0 H GLU A 93 -3.549 8.761 -2.116 1.00 0.00 H new ATOM 0 HA GLU A 93 -2.605 6.308 -1.001 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -5.316 7.725 -0.893 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -4.845 6.396 0.148 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -2.913 7.761 1.022 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -3.376 9.089 -0.023 1.00 0.00 H new ATOM 1244 N GLY A 94 -5.055 6.150 -3.228 1.00 0.00 N ATOM 1245 CA GLY A 94 -5.790 5.271 -4.137 1.00 0.00 C ATOM 1246 C GLY A 94 -4.861 4.316 -4.880 1.00 0.00 C ATOM 1247 O GLY A 94 -5.164 3.136 -5.051 1.00 0.00 O ATOM 0 H GLY A 94 -5.319 7.133 -3.299 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -6.524 4.697 -3.572 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -6.342 5.874 -4.858 1.00 0.00 H new ATOM 1251 N GLN A 95 -3.706 4.841 -5.292 1.00 0.00 N ATOM 1252 CA GLN A 95 -2.683 4.053 -5.990 1.00 0.00 C ATOM 1253 C GLN A 95 -1.826 3.291 -4.978 1.00 0.00 C ATOM 1254 O GLN A 95 -1.381 2.180 -5.251 1.00 0.00 O ATOM 1255 CB GLN A 95 -1.772 5.001 -6.812 1.00 0.00 C ATOM 1256 CG GLN A 95 -2.555 5.607 -7.998 1.00 0.00 C ATOM 1257 CD GLN A 95 -1.697 6.602 -8.777 1.00 0.00 C ATOM 1258 OE1 GLN A 95 -2.248 7.279 -9.742 1.00 0.00 O flip ATOM 1259 NE2 GLN A 95 -0.507 6.772 -8.500 1.00 0.00 N flip ATOM 0 H GLN A 95 -3.452 5.819 -5.153 1.00 0.00 H new ATOM 0 HA GLN A 95 -3.176 3.342 -6.654 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -1.395 5.798 -6.172 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -0.906 4.453 -7.182 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -2.886 4.810 -8.663 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -3.451 6.107 -7.628 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -0.079 6.240 -7.743 1.00 0.00 H new ATOM 0 HE22 GLN A 95 0.048 7.445 -9.028 1.00 0.00 H new ATOM 1268 N LYS A 96 -1.578 3.901 -3.811 1.00 0.00 N ATOM 1269 CA LYS A 96 -0.735 3.263 -2.788 1.00 0.00 C ATOM 1270 C LYS A 96 -1.294 1.882 -2.429 1.00 0.00 C ATOM 1271 O LYS A 96 -0.542 0.922 -2.244 1.00 0.00 O ATOM 1272 CB LYS A 96 -0.679 4.146 -1.518 1.00 0.00 C ATOM 1273 CG LYS A 96 0.405 3.630 -0.536 1.00 0.00 C ATOM 1274 CD LYS A 96 0.446 4.507 0.743 1.00 0.00 C ATOM 1275 CE LYS A 96 1.543 3.995 1.701 1.00 0.00 C ATOM 1276 NZ LYS A 96 2.866 4.168 1.040 1.00 0.00 N ATOM 0 H LYS A 96 -1.941 4.819 -3.553 1.00 0.00 H new ATOM 0 HA LYS A 96 0.272 3.148 -3.189 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -0.463 5.178 -1.796 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -1.652 4.146 -1.026 1.00 0.00 H new ATOM 0 HG2 LYS A 96 0.196 2.595 -0.267 1.00 0.00 H new ATOM 0 HG3 LYS A 96 1.380 3.642 -1.023 1.00 0.00 H new ATOM 0 HD2 LYS A 96 0.641 5.545 0.475 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -0.523 4.483 1.241 1.00 0.00 H new ATOM 0 HE2 LYS A 96 1.514 4.547 2.640 1.00 0.00 H new ATOM 0 HE3 LYS A 96 1.375 2.946 1.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 3.605 3.721 1.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 2.846 3.722 0.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 3.073 5.182 0.937 1.00 0.00 H new ATOM 1290 N SER A 97 -2.626 1.806 -2.325 1.00 0.00 N ATOM 1291 CA SER A 97 -3.311 0.558 -1.983 1.00 0.00 C ATOM 1292 C SER A 97 -3.051 -0.508 -3.045 1.00 0.00 C ATOM 1293 O SER A 97 -2.826 -1.677 -2.724 1.00 0.00 O ATOM 1294 CB SER A 97 -4.824 0.800 -1.859 1.00 0.00 C ATOM 1295 OG SER A 97 -5.457 -0.427 -1.521 1.00 0.00 O ATOM 0 H SER A 97 -3.251 2.598 -2.474 1.00 0.00 H new ATOM 0 HA SER A 97 -2.921 0.207 -1.028 1.00 0.00 H new ATOM 0 HB2 SER A 97 -5.025 1.551 -1.095 1.00 0.00 H new ATOM 0 HB3 SER A 97 -5.223 1.185 -2.798 1.00 0.00 H new ATOM 0 HG SER A 97 -6.423 -0.285 -1.438 1.00 0.00 H new ATOM 1301 N ASP A 98 -3.091 -0.090 -4.318 1.00 0.00 N ATOM 1302 CA ASP A 98 -2.871 -1.010 -5.444 1.00 0.00 C ATOM 1303 C ASP A 98 -1.469 -1.631 -5.362 1.00 0.00 C ATOM 1304 O ASP A 98 -1.300 -2.827 -5.585 1.00 0.00 O ATOM 1305 CB ASP A 98 -3.028 -0.255 -6.792 1.00 0.00 C ATOM 1306 CG ASP A 98 -2.886 -1.216 -7.982 1.00 0.00 C ATOM 1307 OD1 ASP A 98 -3.788 -2.014 -8.181 1.00 0.00 O ATOM 1308 OD2 ASP A 98 -1.872 -1.153 -8.661 1.00 0.00 O ATOM 0 H ASP A 98 -3.273 0.875 -4.594 1.00 0.00 H new ATOM 0 HA ASP A 98 -3.615 -1.805 -5.389 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -4.002 0.233 -6.828 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -2.276 0.530 -6.863 1.00 0.00 H new ATOM 1313 N LEU A 99 -0.473 -0.788 -5.044 1.00 0.00 N ATOM 1314 CA LEU A 99 0.919 -1.245 -4.937 1.00 0.00 C ATOM 1315 C LEU A 99 1.091 -2.183 -3.742 1.00 0.00 C ATOM 1316 O LEU A 99 1.766 -3.201 -3.839 1.00 0.00 O ATOM 1317 CB LEU A 99 1.900 -0.027 -4.809 1.00 0.00 C ATOM 1318 CG LEU A 99 2.367 0.494 -6.203 1.00 0.00 C ATOM 1319 CD1 LEU A 99 1.168 1.022 -7.021 1.00 0.00 C ATOM 1320 CD2 LEU A 99 3.430 1.611 -6.018 1.00 0.00 C ATOM 0 H LEU A 99 -0.606 0.206 -4.858 1.00 0.00 H new ATOM 0 HA LEU A 99 1.161 -1.791 -5.849 1.00 0.00 H new ATOM 0 HB2 LEU A 99 1.408 0.780 -4.266 1.00 0.00 H new ATOM 0 HB3 LEU A 99 2.770 -0.322 -4.222 1.00 0.00 H new ATOM 0 HG LEU A 99 2.813 -0.334 -6.754 1.00 0.00 H new ATOM 0 HD11 LEU A 99 1.518 1.380 -7.989 1.00 0.00 H new ATOM 0 HD12 LEU A 99 0.447 0.218 -7.170 1.00 0.00 H new ATOM 0 HD13 LEU A 99 0.692 1.841 -6.482 1.00 0.00 H new ATOM 0 HD21 LEU A 99 3.753 1.971 -6.995 1.00 0.00 H new ATOM 0 HD22 LEU A 99 2.997 2.436 -5.452 1.00 0.00 H new ATOM 0 HD23 LEU A 99 4.288 1.211 -5.477 1.00 0.00 H new ATOM 1332 N ASN A 100 0.485 -1.826 -2.605 1.00 0.00 N ATOM 1333 CA ASN A 100 0.611 -2.632 -1.388 1.00 0.00 C ATOM 1334 C ASN A 100 0.230 -4.093 -1.666 1.00 0.00 C ATOM 1335 O ASN A 100 0.954 -5.014 -1.281 1.00 0.00 O ATOM 1336 CB ASN A 100 -0.304 -2.039 -0.298 1.00 0.00 C ATOM 1337 CG ASN A 100 0.138 -0.620 0.074 1.00 0.00 C ATOM 1338 OD1 ASN A 100 1.319 -0.282 -0.037 1.00 0.00 O ATOM 1339 ND2 ASN A 100 -0.751 0.229 0.510 1.00 0.00 N ATOM 0 H ASN A 100 -0.093 -0.992 -2.503 1.00 0.00 H new ATOM 0 HA ASN A 100 1.646 -2.613 -1.048 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -1.335 -2.022 -0.652 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -0.282 -2.675 0.587 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -0.471 1.177 0.761 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -1.726 -0.055 0.600 1.00 0.00 H new ATOM 1346 N ASN A 101 -0.908 -4.286 -2.345 1.00 0.00 N ATOM 1347 CA ASN A 101 -1.383 -5.630 -2.688 1.00 0.00 C ATOM 1348 C ASN A 101 -0.477 -6.272 -3.740 1.00 0.00 C ATOM 1349 O ASN A 101 -0.028 -7.408 -3.581 1.00 0.00 O ATOM 1350 CB ASN A 101 -2.822 -5.537 -3.239 1.00 0.00 C ATOM 1351 CG ASN A 101 -3.761 -5.014 -2.154 1.00 0.00 C ATOM 1352 OD1 ASN A 101 -3.508 -3.866 -1.596 1.00 0.00 O flip ATOM 1353 ND2 ASN A 101 -4.735 -5.677 -1.796 1.00 0.00 N flip ATOM 0 H ASN A 101 -1.514 -3.531 -2.666 1.00 0.00 H new ATOM 0 HA ASN A 101 -1.365 -6.247 -1.790 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -2.847 -4.875 -4.104 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -3.155 -6.518 -3.578 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -4.929 -6.576 -2.236 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -5.347 -5.327 -1.059 1.00 0.00 H new ATOM 1360 N GLN A 102 -0.228 -5.532 -4.831 1.00 0.00 N ATOM 1361 CA GLN A 102 0.605 -6.040 -5.935 1.00 0.00 C ATOM 1362 C GLN A 102 1.944 -6.528 -5.402 1.00 0.00 C ATOM 1363 O GLN A 102 2.412 -7.609 -5.773 1.00 0.00 O ATOM 1364 CB GLN A 102 0.854 -4.925 -6.988 1.00 0.00 C ATOM 1365 CG GLN A 102 1.588 -5.487 -8.237 1.00 0.00 C ATOM 1366 CD GLN A 102 1.779 -4.402 -9.300 1.00 0.00 C ATOM 1367 OE1 GLN A 102 1.038 -3.417 -9.336 1.00 0.00 O ATOM 1368 NE2 GLN A 102 2.746 -4.532 -10.170 1.00 0.00 N ATOM 0 H GLN A 102 -0.587 -4.588 -4.973 1.00 0.00 H new ATOM 0 HA GLN A 102 0.075 -6.868 -6.406 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -0.097 -4.486 -7.289 1.00 0.00 H new ATOM 0 HB3 GLN A 102 1.447 -4.126 -6.543 1.00 0.00 H new ATOM 0 HG2 GLN A 102 2.558 -5.887 -7.943 1.00 0.00 H new ATOM 0 HG3 GLN A 102 1.016 -6.315 -8.657 1.00 0.00 H new ATOM 0 HE21 GLN A 102 3.356 -5.349 -10.136 1.00 0.00 H new ATOM 0 HE22 GLN A 102 2.890 -3.817 -10.883 1.00 0.00 H new ATOM 1377 N LEU A 103 2.577 -5.696 -4.552 1.00 0.00 N ATOM 1378 CA LEU A 103 3.890 -6.031 -3.996 1.00 0.00 C ATOM 1379 C LEU A 103 3.792 -7.362 -3.238 1.00 0.00 C ATOM 1380 O LEU A 103 4.431 -8.341 -3.614 1.00 0.00 O ATOM 1381 CB LEU A 103 4.397 -4.871 -3.066 1.00 0.00 C ATOM 1382 CG LEU A 103 5.957 -4.785 -3.045 1.00 0.00 C ATOM 1383 CD1 LEU A 103 6.415 -3.581 -2.182 1.00 0.00 C ATOM 1384 CD2 LEU A 103 6.586 -6.110 -2.538 1.00 0.00 C ATOM 0 H LEU A 103 2.201 -4.800 -4.242 1.00 0.00 H new ATOM 0 HA LEU A 103 4.616 -6.145 -4.801 1.00 0.00 H new ATOM 0 HB2 LEU A 103 3.985 -3.922 -3.410 1.00 0.00 H new ATOM 0 HB3 LEU A 103 4.028 -5.030 -2.053 1.00 0.00 H new ATOM 0 HG LEU A 103 6.306 -4.630 -4.066 1.00 0.00 H new ATOM 0 HD11 LEU A 103 7.504 -3.532 -2.175 1.00 0.00 H new ATOM 0 HD12 LEU A 103 6.013 -2.659 -2.601 1.00 0.00 H new ATOM 0 HD13 LEU A 103 6.051 -3.705 -1.162 1.00 0.00 H new ATOM 0 HD21 LEU A 103 7.672 -6.019 -2.535 1.00 0.00 H new ATOM 0 HD22 LEU A 103 6.236 -6.315 -1.526 1.00 0.00 H new ATOM 0 HD23 LEU A 103 6.292 -6.928 -3.196 1.00 0.00 H new ATOM 1396 N ALA A 104 2.987 -7.366 -2.167 1.00 0.00 N ATOM 1397 CA ALA A 104 2.781 -8.550 -1.318 1.00 0.00 C ATOM 1398 C ALA A 104 3.910 -8.650 -0.296 1.00 0.00 C ATOM 1399 O ALA A 104 4.661 -7.698 -0.110 1.00 0.00 O ATOM 1400 CB ALA A 104 2.667 -9.867 -2.152 1.00 0.00 C ATOM 0 H ALA A 104 2.459 -6.548 -1.863 1.00 0.00 H new ATOM 0 HA ALA A 104 1.831 -8.428 -0.799 1.00 0.00 H new ATOM 0 HB1 ALA A 104 2.516 -10.711 -1.480 1.00 0.00 H new ATOM 0 HB2 ALA A 104 1.822 -9.792 -2.836 1.00 0.00 H new ATOM 0 HB3 ALA A 104 3.584 -10.017 -2.722 1.00 0.00 H new ATOM 1406 N GLU A 105 4.008 -9.813 0.355 1.00 0.00 N ATOM 1407 CA GLU A 105 5.035 -10.075 1.372 1.00 0.00 C ATOM 1408 C GLU A 105 5.169 -8.884 2.321 1.00 0.00 C ATOM 1409 O GLU A 105 6.151 -8.139 2.261 1.00 0.00 O ATOM 1410 CB GLU A 105 6.391 -10.381 0.688 1.00 0.00 C ATOM 1411 CG GLU A 105 7.420 -10.926 1.716 1.00 0.00 C ATOM 1412 CD GLU A 105 8.780 -11.177 1.043 1.00 0.00 C ATOM 1413 OE1 GLU A 105 8.808 -11.883 0.051 1.00 0.00 O ATOM 1414 OE2 GLU A 105 9.772 -10.650 1.532 1.00 0.00 O ATOM 0 H GLU A 105 3.379 -10.600 0.193 1.00 0.00 H new ATOM 0 HA GLU A 105 4.734 -10.943 1.958 1.00 0.00 H new ATOM 0 HB2 GLU A 105 6.245 -11.111 -0.108 1.00 0.00 H new ATOM 0 HB3 GLU A 105 6.781 -9.476 0.223 1.00 0.00 H new ATOM 0 HG2 GLU A 105 7.539 -10.213 2.532 1.00 0.00 H new ATOM 0 HG3 GLU A 105 7.049 -11.853 2.153 1.00 0.00 H new ATOM 1421 N LEU A 106 4.150 -8.679 3.166 1.00 0.00 N ATOM 1422 CA LEU A 106 4.132 -7.528 4.080 1.00 0.00 C ATOM 1423 C LEU A 106 3.604 -7.931 5.441 1.00 0.00 C ATOM 1424 O LEU A 106 3.429 -7.085 6.320 1.00 0.00 O ATOM 1425 CB LEU A 106 3.256 -6.377 3.468 1.00 0.00 C ATOM 1426 CG LEU A 106 3.725 -4.958 3.977 1.00 0.00 C ATOM 1427 CD1 LEU A 106 4.875 -4.405 3.089 1.00 0.00 C ATOM 1428 CD2 LEU A 106 2.536 -3.958 4.012 1.00 0.00 C ATOM 0 H LEU A 106 3.335 -9.288 3.236 1.00 0.00 H new ATOM 0 HA LEU A 106 5.152 -7.167 4.209 1.00 0.00 H new ATOM 0 HB2 LEU A 106 3.316 -6.412 2.380 1.00 0.00 H new ATOM 0 HB3 LEU A 106 2.211 -6.533 3.735 1.00 0.00 H new ATOM 0 HG LEU A 106 4.101 -5.075 4.993 1.00 0.00 H new ATOM 0 HD11 LEU A 106 5.182 -3.427 3.459 1.00 0.00 H new ATOM 0 HD12 LEU A 106 5.723 -5.089 3.125 1.00 0.00 H new ATOM 0 HD13 LEU A 106 4.527 -4.312 2.060 1.00 0.00 H new ATOM 0 HD21 LEU A 106 2.886 -2.988 4.366 1.00 0.00 H new ATOM 0 HD22 LEU A 106 2.122 -3.850 3.010 1.00 0.00 H new ATOM 0 HD23 LEU A 106 1.765 -4.333 4.685 1.00 0.00 H new ATOM 1440 N GLU A 107 3.350 -9.226 5.615 1.00 0.00 N ATOM 1441 CA GLU A 107 2.844 -9.741 6.882 1.00 0.00 C ATOM 1442 C GLU A 107 3.855 -9.455 8.011 1.00 0.00 C ATOM 1443 O GLU A 107 3.451 -9.453 9.161 1.00 0.00 O ATOM 1444 CB GLU A 107 2.592 -11.257 6.725 1.00 0.00 C ATOM 1445 CG GLU A 107 1.544 -11.539 5.609 1.00 0.00 C ATOM 1446 CD GLU A 107 0.168 -10.972 5.975 1.00 0.00 C ATOM 1447 OE1 GLU A 107 -0.294 -11.267 7.064 1.00 0.00 O ATOM 1448 OE2 GLU A 107 -0.393 -10.243 5.172 1.00 0.00 O ATOM 1449 OXT GLU A 107 5.015 -9.220 7.697 1.00 0.00 O ATOM 0 H GLU A 107 3.486 -9.936 4.895 1.00 0.00 H new ATOM 0 HA GLU A 107 1.909 -9.248 7.148 1.00 0.00 H new ATOM 0 HB2 GLU A 107 3.528 -11.761 6.485 1.00 0.00 H new ATOM 0 HB3 GLU A 107 2.241 -11.670 7.671 1.00 0.00 H new ATOM 0 HG2 GLU A 107 1.882 -11.099 4.671 1.00 0.00 H new ATOM 0 HG3 GLU A 107 1.464 -12.614 5.446 1.00 0.00 H new TER 1456 GLU A 107