USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 610 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 76 TYR OH : rot -113:sc= 0.196 USER MOD Set 1.2: A 80 GLN : amide:sc= -3.35! C(o=-3.2!,f=-3.7!) USER MOD Set 2.1: A 18 HIS :FLIP no HE2:sc= -11.9! C(o=-14!,f=-13!) USER MOD Set 2.2: A 23 ASN : amide:sc= -1.3 K(o=-13,f=-15!) USER MOD Set 3.1: A 5 ASN : amide:sc= -1.58 K(o=-4.1,f=-5.8!) USER MOD Set 3.2: A 8 LYS NZ :NH3+ -143:sc= -2.5 (180deg=-2.2!) USER MOD Single : A 11 SER OG : rot 92:sc= 0.0785 USER MOD Single : A 13 ASN :FLIP amide:sc= -3.04! C(o=-5.5!,f=-3!) USER MOD Single : A 14 CYS SG : rot 79:sc= -3.71! USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl 176:sc= 0 (180deg=-0.0093) USER MOD Single : A 28 ASN :FLIP amide:sc= -4.58! C(o=-6!,f=-4.6!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN :FLIP amide:sc= -1.4 F(o=-4.7!,f=-1.4) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 TYR OH : rot -48:sc= 0.208 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 GLN :FLIP amide:sc= -3.72! C(o=-7.6!,f=-3.7!) USER MOD Single : A 52 GLN :FLIP amide:sc= -0.559 F(o=-2.4,f=-0.56) USER MOD Single : A 53 HIS :FLIP+bothHN:sc= -17.9! C(o=-21!,f=-18!) USER MOD Single : A 55 LYS NZ :NH3+ -141:sc= -0.371 (180deg=-1.78!) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 MET CE :methyl 178:sc= -2.61! (180deg=-2.65!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= -9.1! C(o=-9.1!,f=-8.6!) USER MOD Single : A 71 GLN :FLIP amide:sc= -0.124 F(o=-0.88,f=-0.12) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 13 N ASP A 2 30.956 9.223 -18.700 1.00 0.00 N ATOM 14 CA ASP A 2 30.183 8.558 -19.786 1.00 0.00 C ATOM 15 C ASP A 2 30.389 7.046 -19.699 1.00 0.00 C ATOM 16 O ASP A 2 29.538 6.270 -20.086 1.00 0.00 O ATOM 17 CB ASP A 2 30.671 9.057 -21.147 1.00 0.00 C ATOM 18 CG ASP A 2 30.607 10.585 -21.183 1.00 0.00 C ATOM 19 OD1 ASP A 2 30.199 11.165 -20.190 1.00 0.00 O ATOM 20 OD2 ASP A 2 30.966 11.149 -22.203 1.00 0.00 O ATOM 0 HA ASP A 2 29.125 8.794 -19.673 1.00 0.00 H new ATOM 0 HB2 ASP A 2 31.693 8.721 -21.325 1.00 0.00 H new ATOM 0 HB3 ASP A 2 30.055 8.638 -21.942 1.00 0.00 H new ATOM 25 N LEU A 3 31.514 6.622 -19.195 1.00 0.00 N ATOM 26 CA LEU A 3 31.772 5.161 -19.085 1.00 0.00 C ATOM 27 C LEU A 3 30.968 4.592 -17.919 1.00 0.00 C ATOM 28 O LEU A 3 30.776 3.397 -17.813 1.00 0.00 O ATOM 29 CB LEU A 3 33.262 4.918 -18.846 1.00 0.00 C ATOM 30 CG LEU A 3 34.075 5.683 -19.890 1.00 0.00 C ATOM 31 CD1 LEU A 3 34.812 6.841 -19.216 1.00 0.00 C ATOM 32 CD2 LEU A 3 35.087 4.739 -20.537 1.00 0.00 C ATOM 0 H LEU A 3 32.264 7.224 -18.855 1.00 0.00 H new ATOM 0 HA LEU A 3 31.472 4.669 -20.010 1.00 0.00 H new ATOM 0 HB2 LEU A 3 33.539 5.244 -17.843 1.00 0.00 H new ATOM 0 HB3 LEU A 3 33.482 3.852 -18.907 1.00 0.00 H new ATOM 0 HG LEU A 3 33.406 6.077 -20.655 1.00 0.00 H new ATOM 0 HD11 LEU A 3 35.392 7.386 -19.961 1.00 0.00 H new ATOM 0 HD12 LEU A 3 34.089 7.514 -18.755 1.00 0.00 H new ATOM 0 HD13 LEU A 3 35.482 6.450 -18.450 1.00 0.00 H new ATOM 0 HD21 LEU A 3 35.668 5.283 -21.282 1.00 0.00 H new ATOM 0 HD22 LEU A 3 35.756 4.344 -19.773 1.00 0.00 H new ATOM 0 HD23 LEU A 3 34.560 3.915 -21.019 1.00 0.00 H new ATOM 44 N ALA A 4 30.460 5.434 -17.059 1.00 0.00 N ATOM 45 CA ALA A 4 29.641 4.918 -15.942 1.00 0.00 C ATOM 46 C ALA A 4 28.450 4.231 -16.584 1.00 0.00 C ATOM 47 O ALA A 4 27.879 3.296 -16.060 1.00 0.00 O ATOM 48 CB ALA A 4 29.175 6.073 -15.050 1.00 0.00 C ATOM 0 H ALA A 4 30.579 6.447 -17.087 1.00 0.00 H new ATOM 0 HA ALA A 4 30.206 4.231 -15.312 1.00 0.00 H new ATOM 0 HB1 ALA A 4 28.573 5.680 -14.231 1.00 0.00 H new ATOM 0 HB2 ALA A 4 30.043 6.593 -14.645 1.00 0.00 H new ATOM 0 HB3 ALA A 4 28.577 6.769 -15.639 1.00 0.00 H new ATOM 54 N ASN A 5 28.111 4.689 -17.754 1.00 0.00 N ATOM 55 CA ASN A 5 27.000 4.089 -18.516 1.00 0.00 C ATOM 56 C ASN A 5 27.532 2.830 -19.197 1.00 0.00 C ATOM 57 O ASN A 5 26.823 1.870 -19.407 1.00 0.00 O ATOM 58 CB ASN A 5 26.550 5.096 -19.566 1.00 0.00 C ATOM 59 CG ASN A 5 25.148 5.602 -19.224 1.00 0.00 C ATOM 60 OD1 ASN A 5 24.725 5.534 -18.086 1.00 0.00 O ATOM 61 ND2 ASN A 5 24.404 6.112 -20.166 1.00 0.00 N ATOM 0 H ASN A 5 28.572 5.472 -18.219 1.00 0.00 H new ATOM 0 HA ASN A 5 26.159 3.835 -17.871 1.00 0.00 H new ATOM 0 HB2 ASN A 5 27.249 5.931 -19.607 1.00 0.00 H new ATOM 0 HB3 ASN A 5 26.550 4.632 -20.552 1.00 0.00 H new ATOM 0 HD21 ASN A 5 23.468 6.454 -19.948 1.00 0.00 H new ATOM 0 HD22 ASN A 5 24.758 6.169 -21.121 1.00 0.00 H new ATOM 68 N GLY A 6 28.796 2.826 -19.530 1.00 0.00 N ATOM 69 CA GLY A 6 29.392 1.629 -20.175 1.00 0.00 C ATOM 70 C GLY A 6 29.103 0.419 -19.293 1.00 0.00 C ATOM 71 O GLY A 6 28.657 -0.599 -19.759 1.00 0.00 O ATOM 0 H GLY A 6 29.439 3.604 -19.381 1.00 0.00 H new ATOM 0 HA2 GLY A 6 28.971 1.484 -21.170 1.00 0.00 H new ATOM 0 HA3 GLY A 6 30.467 1.760 -20.300 1.00 0.00 H new ATOM 75 N ALA A 7 29.357 0.539 -18.018 1.00 0.00 N ATOM 76 CA ALA A 7 29.093 -0.584 -17.074 1.00 0.00 C ATOM 77 C ALA A 7 27.612 -0.964 -17.122 1.00 0.00 C ATOM 78 O ALA A 7 27.244 -2.087 -16.863 1.00 0.00 O ATOM 79 CB ALA A 7 29.442 -0.144 -15.650 1.00 0.00 C ATOM 0 H ALA A 7 29.741 1.379 -17.585 1.00 0.00 H new ATOM 0 HA ALA A 7 29.702 -1.441 -17.361 1.00 0.00 H new ATOM 0 HB1 ALA A 7 29.249 -0.964 -14.958 1.00 0.00 H new ATOM 0 HB2 ALA A 7 30.496 0.131 -15.602 1.00 0.00 H new ATOM 0 HB3 ALA A 7 28.830 0.715 -15.374 1.00 0.00 H new ATOM 85 N LYS A 8 26.757 -0.034 -17.438 1.00 0.00 N ATOM 86 CA LYS A 8 25.306 -0.349 -17.497 1.00 0.00 C ATOM 87 C LYS A 8 25.054 -1.282 -18.683 1.00 0.00 C ATOM 88 O LYS A 8 24.124 -2.062 -18.691 1.00 0.00 O ATOM 89 CB LYS A 8 24.510 0.954 -17.668 1.00 0.00 C ATOM 90 CG LYS A 8 23.111 0.661 -18.241 1.00 0.00 C ATOM 91 CD LYS A 8 23.136 0.702 -19.778 1.00 0.00 C ATOM 92 CE LYS A 8 23.875 1.948 -20.261 1.00 0.00 C ATOM 93 NZ LYS A 8 23.481 3.119 -19.426 1.00 0.00 N ATOM 0 H LYS A 8 27.001 0.932 -17.658 1.00 0.00 H new ATOM 0 HA LYS A 8 24.987 -0.838 -16.577 1.00 0.00 H new ATOM 0 HB2 LYS A 8 24.417 1.459 -16.707 1.00 0.00 H new ATOM 0 HB3 LYS A 8 25.047 1.631 -18.333 1.00 0.00 H new ATOM 0 HG2 LYS A 8 22.772 -0.318 -17.903 1.00 0.00 H new ATOM 0 HG3 LYS A 8 22.397 1.393 -17.864 1.00 0.00 H new ATOM 0 HD2 LYS A 8 23.625 -0.192 -20.165 1.00 0.00 H new ATOM 0 HD3 LYS A 8 22.117 0.702 -20.166 1.00 0.00 H new ATOM 0 HE2 LYS A 8 24.952 1.791 -20.200 1.00 0.00 H new ATOM 0 HE3 LYS A 8 23.640 2.140 -21.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 23.423 3.968 -20.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 22.554 2.939 -18.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 24.191 3.268 -18.680 1.00 0.00 H new ATOM 107 N VAL A 9 25.875 -1.191 -19.693 1.00 0.00 N ATOM 108 CA VAL A 9 25.693 -2.051 -20.892 1.00 0.00 C ATOM 109 C VAL A 9 26.656 -3.241 -20.849 1.00 0.00 C ATOM 110 O VAL A 9 26.467 -4.224 -21.538 1.00 0.00 O ATOM 111 CB VAL A 9 25.977 -1.214 -22.133 1.00 0.00 C ATOM 112 CG1 VAL A 9 26.124 -2.123 -23.356 1.00 0.00 C ATOM 113 CG2 VAL A 9 24.810 -0.255 -22.355 1.00 0.00 C ATOM 0 H VAL A 9 26.669 -0.553 -19.737 1.00 0.00 H new ATOM 0 HA VAL A 9 24.672 -2.433 -20.914 1.00 0.00 H new ATOM 0 HB VAL A 9 26.903 -0.656 -21.992 1.00 0.00 H new ATOM 0 HG11 VAL A 9 26.327 -1.516 -24.238 1.00 0.00 H new ATOM 0 HG12 VAL A 9 26.949 -2.818 -23.196 1.00 0.00 H new ATOM 0 HG13 VAL A 9 25.201 -2.684 -23.506 1.00 0.00 H new ATOM 0 HG21 VAL A 9 25.000 0.351 -23.241 1.00 0.00 H new ATOM 0 HG22 VAL A 9 23.892 -0.826 -22.496 1.00 0.00 H new ATOM 0 HG23 VAL A 9 24.703 0.395 -21.487 1.00 0.00 H new ATOM 123 N PHE A 10 27.691 -3.165 -20.062 1.00 0.00 N ATOM 124 CA PHE A 10 28.650 -4.298 -20.001 1.00 0.00 C ATOM 125 C PHE A 10 28.319 -5.188 -18.807 1.00 0.00 C ATOM 126 O PHE A 10 28.710 -6.335 -18.739 1.00 0.00 O ATOM 127 CB PHE A 10 30.057 -3.744 -19.855 1.00 0.00 C ATOM 128 CG PHE A 10 30.989 -4.874 -19.531 1.00 0.00 C ATOM 129 CD1 PHE A 10 31.055 -5.332 -18.221 1.00 0.00 C ATOM 130 CD2 PHE A 10 31.778 -5.466 -20.525 1.00 0.00 C ATOM 131 CE1 PHE A 10 31.905 -6.379 -17.893 1.00 0.00 C ATOM 132 CE2 PHE A 10 32.637 -6.520 -20.191 1.00 0.00 C ATOM 133 CZ PHE A 10 32.699 -6.976 -18.874 1.00 0.00 C ATOM 0 H PHE A 10 27.913 -2.371 -19.461 1.00 0.00 H new ATOM 0 HA PHE A 10 28.581 -4.890 -20.913 1.00 0.00 H new ATOM 0 HB2 PHE A 10 30.367 -3.252 -20.777 1.00 0.00 H new ATOM 0 HB3 PHE A 10 30.087 -2.992 -19.067 1.00 0.00 H new ATOM 0 HD1 PHE A 10 30.445 -4.873 -17.457 1.00 0.00 H new ATOM 0 HD2 PHE A 10 31.724 -5.111 -21.544 1.00 0.00 H new ATOM 0 HE1 PHE A 10 31.952 -6.734 -16.874 1.00 0.00 H new ATOM 0 HE2 PHE A 10 33.251 -6.979 -20.952 1.00 0.00 H new ATOM 0 HZ PHE A 10 33.360 -7.789 -18.614 1.00 0.00 H new ATOM 143 N SER A 11 27.605 -4.659 -17.871 1.00 0.00 N ATOM 144 CA SER A 11 27.235 -5.454 -16.665 1.00 0.00 C ATOM 145 C SER A 11 25.806 -5.984 -16.818 1.00 0.00 C ATOM 146 O SER A 11 25.243 -6.548 -15.899 1.00 0.00 O ATOM 147 CB SER A 11 27.318 -4.567 -15.421 1.00 0.00 C ATOM 148 OG SER A 11 28.655 -4.119 -15.250 1.00 0.00 O ATOM 0 H SER A 11 27.254 -3.701 -17.881 1.00 0.00 H new ATOM 0 HA SER A 11 27.924 -6.292 -16.560 1.00 0.00 H new ATOM 0 HB2 SER A 11 26.647 -3.714 -15.524 1.00 0.00 H new ATOM 0 HB3 SER A 11 26.994 -5.124 -14.542 1.00 0.00 H new ATOM 0 HG SER A 11 28.773 -3.260 -15.706 1.00 0.00 H new ATOM 154 N GLY A 12 25.213 -5.811 -17.969 1.00 0.00 N ATOM 155 CA GLY A 12 23.830 -6.304 -18.174 1.00 0.00 C ATOM 156 C GLY A 12 23.693 -6.929 -19.568 1.00 0.00 C ATOM 157 O GLY A 12 22.627 -7.361 -19.959 1.00 0.00 O ATOM 0 H GLY A 12 25.632 -5.348 -18.775 1.00 0.00 H new ATOM 0 HA2 GLY A 12 23.582 -7.041 -17.411 1.00 0.00 H new ATOM 0 HA3 GLY A 12 23.123 -5.482 -18.065 1.00 0.00 H new ATOM 161 N ASN A 13 24.760 -6.982 -20.320 1.00 0.00 N ATOM 162 CA ASN A 13 24.683 -7.577 -21.684 1.00 0.00 C ATOM 163 C ASN A 13 26.046 -8.169 -22.039 1.00 0.00 C ATOM 164 O ASN A 13 26.191 -9.358 -22.240 1.00 0.00 O ATOM 165 CB ASN A 13 24.327 -6.487 -22.697 1.00 0.00 C ATOM 166 CG ASN A 13 23.340 -5.500 -22.068 1.00 0.00 C ATOM 167 OD1 ASN A 13 23.733 -4.748 -21.077 1.00 0.00 O flip ATOM 168 ND2 ASN A 13 22.202 -5.414 -22.482 1.00 0.00 N flip ATOM 0 H ASN A 13 25.681 -6.639 -20.048 1.00 0.00 H new ATOM 0 HA ASN A 13 23.919 -8.355 -21.706 1.00 0.00 H new ATOM 0 HB2 ASN A 13 25.229 -5.963 -23.013 1.00 0.00 H new ATOM 0 HB3 ASN A 13 23.889 -6.935 -23.589 1.00 0.00 H new ATOM 0 HD21 ASN A 13 21.895 -6.002 -23.257 1.00 0.00 H new ATOM 0 HD22 ASN A 13 21.553 -4.753 -22.055 1.00 0.00 H new ATOM 175 N CYS A 14 27.046 -7.337 -22.107 1.00 0.00 N ATOM 176 CA CYS A 14 28.413 -7.825 -22.434 1.00 0.00 C ATOM 177 C CYS A 14 28.858 -8.823 -21.364 1.00 0.00 C ATOM 178 O CYS A 14 29.554 -9.778 -21.641 1.00 0.00 O ATOM 179 CB CYS A 14 29.377 -6.632 -22.456 1.00 0.00 C ATOM 180 SG CYS A 14 28.615 -5.222 -23.319 1.00 0.00 S ATOM 0 H CYS A 14 26.974 -6.332 -21.949 1.00 0.00 H new ATOM 0 HA CYS A 14 28.412 -8.313 -23.409 1.00 0.00 H new ATOM 0 HB2 CYS A 14 29.637 -6.346 -21.437 1.00 0.00 H new ATOM 0 HB3 CYS A 14 30.305 -6.914 -22.954 1.00 0.00 H new ATOM 0 HG CYS A 14 27.774 -4.629 -22.524 1.00 0.00 H new ATOM 185 N ALA A 15 28.459 -8.607 -20.143 1.00 0.00 N ATOM 186 CA ALA A 15 28.856 -9.532 -19.044 1.00 0.00 C ATOM 187 C ALA A 15 28.458 -10.969 -19.395 1.00 0.00 C ATOM 188 O ALA A 15 29.157 -11.908 -19.075 1.00 0.00 O ATOM 189 CB ALA A 15 28.153 -9.113 -17.751 1.00 0.00 C ATOM 0 H ALA A 15 27.871 -7.824 -19.856 1.00 0.00 H new ATOM 0 HA ALA A 15 29.937 -9.484 -18.911 1.00 0.00 H new ATOM 0 HB1 ALA A 15 28.441 -9.788 -16.945 1.00 0.00 H new ATOM 0 HB2 ALA A 15 28.443 -8.094 -17.493 1.00 0.00 H new ATOM 0 HB3 ALA A 15 27.073 -9.158 -17.893 1.00 0.00 H new ATOM 195 N ALA A 16 27.341 -11.152 -20.046 1.00 0.00 N ATOM 196 CA ALA A 16 26.911 -12.534 -20.407 1.00 0.00 C ATOM 197 C ALA A 16 28.027 -13.224 -21.194 1.00 0.00 C ATOM 198 O ALA A 16 28.369 -14.362 -20.940 1.00 0.00 O ATOM 199 CB ALA A 16 25.642 -12.471 -21.258 1.00 0.00 C ATOM 0 H ALA A 16 26.710 -10.408 -20.343 1.00 0.00 H new ATOM 0 HA ALA A 16 26.705 -13.100 -19.499 1.00 0.00 H new ATOM 0 HB1 ALA A 16 25.330 -13.482 -21.521 1.00 0.00 H new ATOM 0 HB2 ALA A 16 24.849 -11.981 -20.693 1.00 0.00 H new ATOM 0 HB3 ALA A 16 25.842 -11.905 -22.168 1.00 0.00 H new ATOM 205 N CYS A 17 28.609 -12.535 -22.137 1.00 0.00 N ATOM 206 CA CYS A 17 29.716 -13.136 -22.929 1.00 0.00 C ATOM 207 C CYS A 17 31.022 -12.455 -22.525 1.00 0.00 C ATOM 208 O CYS A 17 32.031 -12.579 -23.191 1.00 0.00 O ATOM 209 CB CYS A 17 29.461 -12.915 -24.414 1.00 0.00 C ATOM 210 SG CYS A 17 27.988 -13.858 -24.923 1.00 0.00 S ATOM 0 H CYS A 17 28.364 -11.579 -22.393 1.00 0.00 H new ATOM 0 HA CYS A 17 29.777 -14.207 -22.737 1.00 0.00 H new ATOM 0 HB2 CYS A 17 29.314 -11.854 -24.615 1.00 0.00 H new ATOM 0 HB3 CYS A 17 30.328 -13.232 -24.994 1.00 0.00 H new ATOM 0 HG CYS A 17 27.768 -13.668 -26.190 1.00 0.00 H new ATOM 215 N HIS A 18 31.003 -11.726 -21.437 1.00 0.00 N ATOM 216 CA HIS A 18 32.231 -11.016 -20.985 1.00 0.00 C ATOM 217 C HIS A 18 32.105 -10.647 -19.509 1.00 0.00 C ATOM 218 O HIS A 18 32.514 -9.585 -19.090 1.00 0.00 O ATOM 219 CB HIS A 18 32.392 -9.739 -21.801 1.00 0.00 C ATOM 220 CG HIS A 18 32.580 -10.093 -23.226 1.00 0.00 C ATOM 221 ND1 HIS A 18 31.702 -10.256 -24.258 1.00 0.00 N flip ATOM 222 CD2 HIS A 18 33.832 -10.332 -23.741 1.00 0.00 C flip ATOM 223 CE1 HIS A 18 32.405 -10.595 -25.409 1.00 0.00 C flip ATOM 224 NE2 HIS A 18 33.687 -10.625 -25.036 1.00 0.00 N flip ATOM 0 H HIS A 18 30.185 -11.594 -20.842 1.00 0.00 H new ATOM 0 HA HIS A 18 33.095 -11.666 -21.123 1.00 0.00 H new ATOM 0 HB2 HIS A 18 31.513 -9.105 -21.684 1.00 0.00 H new ATOM 0 HB3 HIS A 18 33.247 -9.168 -21.440 1.00 0.00 H new ATOM 0 HD1 HIS A 18 30.690 -10.146 -24.195 1.00 0.00 H new ATOM 0 HD2 HIS A 18 34.764 -10.290 -23.197 1.00 0.00 H new ATOM 0 HE1 HIS A 18 32.002 -10.791 -26.391 1.00 0.00 H new ATOM 232 N MET A 19 31.543 -11.507 -18.719 1.00 0.00 N ATOM 233 CA MET A 19 31.393 -11.194 -17.269 1.00 0.00 C ATOM 234 C MET A 19 32.774 -11.040 -16.629 1.00 0.00 C ATOM 235 O MET A 19 33.696 -11.765 -16.947 1.00 0.00 O ATOM 236 CB MET A 19 30.632 -12.314 -16.578 1.00 0.00 C ATOM 237 CG MET A 19 29.315 -11.771 -16.023 1.00 0.00 C ATOM 238 SD MET A 19 28.934 -12.599 -14.459 1.00 0.00 S ATOM 239 CE MET A 19 27.337 -13.290 -14.955 1.00 0.00 C ATOM 0 H MET A 19 31.179 -12.415 -19.009 1.00 0.00 H new ATOM 0 HA MET A 19 30.839 -10.262 -17.159 1.00 0.00 H new ATOM 0 HB2 MET A 19 30.436 -13.123 -17.282 1.00 0.00 H new ATOM 0 HB3 MET A 19 31.234 -12.733 -15.771 1.00 0.00 H new ATOM 0 HG2 MET A 19 29.389 -10.695 -15.869 1.00 0.00 H new ATOM 0 HG3 MET A 19 28.510 -11.936 -16.740 1.00 0.00 H new ATOM 0 HE1 MET A 19 26.911 -13.854 -14.125 1.00 0.00 H new ATOM 0 HE2 MET A 19 26.660 -12.481 -15.230 1.00 0.00 H new ATOM 0 HE3 MET A 19 27.477 -13.952 -15.809 1.00 0.00 H new ATOM 249 N GLY A 20 32.926 -10.100 -15.734 1.00 0.00 N ATOM 250 CA GLY A 20 34.253 -9.902 -15.085 1.00 0.00 C ATOM 251 C GLY A 20 35.335 -9.958 -16.164 1.00 0.00 C ATOM 252 O GLY A 20 36.349 -10.610 -16.011 1.00 0.00 O ATOM 0 H GLY A 20 32.191 -9.463 -15.426 1.00 0.00 H new ATOM 0 HA2 GLY A 20 34.283 -8.943 -14.569 1.00 0.00 H new ATOM 0 HA3 GLY A 20 34.426 -10.673 -14.335 1.00 0.00 H new ATOM 256 N GLY A 21 35.117 -9.280 -17.258 1.00 0.00 N ATOM 257 CA GLY A 21 36.111 -9.289 -18.361 1.00 0.00 C ATOM 258 C GLY A 21 36.639 -10.710 -18.560 1.00 0.00 C ATOM 259 O GLY A 21 37.789 -10.999 -18.297 1.00 0.00 O ATOM 0 H GLY A 21 34.285 -8.717 -17.433 1.00 0.00 H new ATOM 0 HA2 GLY A 21 35.652 -8.928 -19.281 1.00 0.00 H new ATOM 0 HA3 GLY A 21 36.934 -8.613 -18.129 1.00 0.00 H new ATOM 263 N GLY A 22 35.805 -11.601 -19.024 1.00 0.00 N ATOM 264 CA GLY A 22 36.256 -13.003 -19.243 1.00 0.00 C ATOM 265 C GLY A 22 35.506 -13.594 -20.434 1.00 0.00 C ATOM 266 O GLY A 22 34.395 -14.073 -20.307 1.00 0.00 O ATOM 0 H GLY A 22 34.830 -11.417 -19.261 1.00 0.00 H new ATOM 0 HA2 GLY A 22 37.330 -13.027 -19.427 1.00 0.00 H new ATOM 0 HA3 GLY A 22 36.072 -13.600 -18.350 1.00 0.00 H new ATOM 270 N ASN A 23 36.101 -13.564 -21.593 1.00 0.00 N ATOM 271 CA ASN A 23 35.422 -14.122 -22.794 1.00 0.00 C ATOM 272 C ASN A 23 34.774 -15.463 -22.432 1.00 0.00 C ATOM 273 O ASN A 23 35.338 -16.256 -21.702 1.00 0.00 O ATOM 274 CB ASN A 23 36.453 -14.329 -23.904 1.00 0.00 C ATOM 275 CG ASN A 23 35.806 -14.041 -25.260 1.00 0.00 C ATOM 276 OD1 ASN A 23 35.451 -14.952 -25.983 1.00 0.00 O ATOM 277 ND2 ASN A 23 35.639 -12.804 -25.641 1.00 0.00 N ATOM 0 H ASN A 23 37.030 -13.177 -21.760 1.00 0.00 H new ATOM 0 HA ASN A 23 34.653 -13.431 -23.139 1.00 0.00 H new ATOM 0 HB2 ASN A 23 37.307 -13.670 -23.749 1.00 0.00 H new ATOM 0 HB3 ASN A 23 36.830 -15.351 -23.879 1.00 0.00 H new ATOM 0 HD21 ASN A 23 35.211 -12.602 -26.545 1.00 0.00 H new ATOM 0 HD22 ASN A 23 35.936 -12.039 -25.035 1.00 0.00 H new ATOM 284 N VAL A 24 33.593 -15.725 -22.926 1.00 0.00 N ATOM 285 CA VAL A 24 32.917 -17.014 -22.594 1.00 0.00 C ATOM 286 C VAL A 24 32.967 -17.958 -23.795 1.00 0.00 C ATOM 287 O VAL A 24 32.774 -19.150 -23.665 1.00 0.00 O ATOM 288 CB VAL A 24 31.456 -16.744 -22.226 1.00 0.00 C ATOM 289 CG1 VAL A 24 31.387 -15.594 -21.219 1.00 0.00 C ATOM 290 CG2 VAL A 24 30.674 -16.366 -23.485 1.00 0.00 C ATOM 0 H VAL A 24 33.068 -15.105 -23.543 1.00 0.00 H new ATOM 0 HA VAL A 24 33.431 -17.477 -21.752 1.00 0.00 H new ATOM 0 HB VAL A 24 31.022 -17.641 -21.784 1.00 0.00 H new ATOM 0 HG11 VAL A 24 30.347 -15.402 -20.957 1.00 0.00 H new ATOM 0 HG12 VAL A 24 31.944 -15.863 -20.321 1.00 0.00 H new ATOM 0 HG13 VAL A 24 31.822 -14.697 -21.661 1.00 0.00 H new ATOM 0 HG21 VAL A 24 29.634 -16.174 -23.223 1.00 0.00 H new ATOM 0 HG22 VAL A 24 31.108 -15.470 -23.928 1.00 0.00 H new ATOM 0 HG23 VAL A 24 30.722 -17.185 -24.203 1.00 0.00 H new ATOM 300 N VAL A 25 33.223 -17.441 -24.962 1.00 0.00 N ATOM 301 CA VAL A 25 33.279 -18.321 -26.161 1.00 0.00 C ATOM 302 C VAL A 25 34.736 -18.651 -26.483 1.00 0.00 C ATOM 303 O VAL A 25 35.175 -19.774 -26.334 1.00 0.00 O ATOM 304 CB VAL A 25 32.645 -17.604 -27.351 1.00 0.00 C ATOM 305 CG1 VAL A 25 32.588 -18.560 -28.542 1.00 0.00 C ATOM 306 CG2 VAL A 25 31.229 -17.158 -26.985 1.00 0.00 C ATOM 0 H VAL A 25 33.395 -16.451 -25.138 1.00 0.00 H new ATOM 0 HA VAL A 25 32.733 -19.243 -25.960 1.00 0.00 H new ATOM 0 HB VAL A 25 33.242 -16.730 -27.611 1.00 0.00 H new ATOM 0 HG11 VAL A 25 32.136 -18.053 -29.394 1.00 0.00 H new ATOM 0 HG12 VAL A 25 33.598 -18.878 -28.802 1.00 0.00 H new ATOM 0 HG13 VAL A 25 31.990 -19.432 -28.280 1.00 0.00 H new ATOM 0 HG21 VAL A 25 30.778 -16.646 -27.835 1.00 0.00 H new ATOM 0 HG22 VAL A 25 30.629 -18.030 -26.726 1.00 0.00 H new ATOM 0 HG23 VAL A 25 31.270 -16.479 -26.133 1.00 0.00 H new ATOM 316 N MET A 26 35.487 -17.682 -26.925 1.00 0.00 N ATOM 317 CA MET A 26 36.916 -17.943 -27.256 1.00 0.00 C ATOM 318 C MET A 26 37.760 -17.845 -25.984 1.00 0.00 C ATOM 319 O MET A 26 37.443 -17.109 -25.071 1.00 0.00 O ATOM 320 CB MET A 26 37.398 -16.908 -28.274 1.00 0.00 C ATOM 321 CG MET A 26 36.384 -16.809 -29.415 1.00 0.00 C ATOM 322 SD MET A 26 36.347 -18.374 -30.326 1.00 0.00 S ATOM 323 CE MET A 26 35.067 -17.912 -31.520 1.00 0.00 C ATOM 0 H MET A 26 35.174 -16.722 -27.071 1.00 0.00 H new ATOM 0 HA MET A 26 37.017 -18.942 -27.680 1.00 0.00 H new ATOM 0 HB2 MET A 26 37.518 -15.937 -27.793 1.00 0.00 H new ATOM 0 HB3 MET A 26 38.375 -17.193 -28.664 1.00 0.00 H new ATOM 0 HG2 MET A 26 35.394 -16.583 -29.018 1.00 0.00 H new ATOM 0 HG3 MET A 26 36.653 -15.992 -30.085 1.00 0.00 H new ATOM 0 HE1 MET A 26 34.931 -18.720 -32.239 1.00 0.00 H new ATOM 0 HE2 MET A 26 34.129 -17.731 -30.996 1.00 0.00 H new ATOM 0 HE3 MET A 26 35.370 -17.006 -32.046 1.00 0.00 H new ATOM 333 N ALA A 27 38.833 -18.584 -25.917 1.00 0.00 N ATOM 334 CA ALA A 27 39.696 -18.535 -24.704 1.00 0.00 C ATOM 335 C ALA A 27 40.989 -17.785 -25.033 1.00 0.00 C ATOM 336 O ALA A 27 42.050 -18.371 -25.132 1.00 0.00 O ATOM 337 CB ALA A 27 40.030 -19.961 -24.259 1.00 0.00 C ATOM 0 H ALA A 27 39.149 -19.219 -26.650 1.00 0.00 H new ATOM 0 HA ALA A 27 39.170 -18.019 -23.901 1.00 0.00 H new ATOM 0 HB1 ALA A 27 40.662 -19.927 -23.371 1.00 0.00 H new ATOM 0 HB2 ALA A 27 39.108 -20.495 -24.028 1.00 0.00 H new ATOM 0 HB3 ALA A 27 40.558 -20.478 -25.060 1.00 0.00 H new ATOM 343 N ASN A 28 40.909 -16.493 -25.201 1.00 0.00 N ATOM 344 CA ASN A 28 42.125 -15.704 -25.520 1.00 0.00 C ATOM 345 C ASN A 28 41.746 -14.228 -25.673 1.00 0.00 C ATOM 346 O ASN A 28 42.453 -13.346 -25.227 1.00 0.00 O ATOM 347 CB ASN A 28 42.738 -16.214 -26.827 1.00 0.00 C ATOM 348 CG ASN A 28 41.817 -15.852 -27.995 1.00 0.00 C ATOM 349 OD1 ASN A 28 40.624 -16.380 -28.058 1.00 0.00 O flip ATOM 350 ND2 ASN A 28 42.185 -15.081 -28.859 1.00 0.00 N flip ATOM 0 H ASN A 28 40.048 -15.951 -25.130 1.00 0.00 H new ATOM 0 HA ASN A 28 42.852 -15.812 -24.715 1.00 0.00 H new ATOM 0 HB2 ASN A 28 43.723 -15.773 -26.976 1.00 0.00 H new ATOM 0 HB3 ASN A 28 42.876 -17.294 -26.780 1.00 0.00 H new ATOM 0 HD21 ASN A 28 43.116 -14.668 -28.811 1.00 0.00 H new ATOM 0 HD22 ASN A 28 41.563 -14.847 -29.632 1.00 0.00 H new ATOM 357 N LYS A 29 40.632 -13.957 -26.296 1.00 0.00 N ATOM 358 CA LYS A 29 40.200 -12.542 -26.475 1.00 0.00 C ATOM 359 C LYS A 29 39.344 -12.119 -25.279 1.00 0.00 C ATOM 360 O LYS A 29 38.142 -12.292 -25.275 1.00 0.00 O ATOM 361 CB LYS A 29 39.372 -12.425 -27.758 1.00 0.00 C ATOM 362 CG LYS A 29 40.067 -11.473 -28.735 1.00 0.00 C ATOM 363 CD LYS A 29 40.661 -12.278 -29.895 1.00 0.00 C ATOM 364 CE LYS A 29 40.706 -11.406 -31.151 1.00 0.00 C ATOM 365 NZ LYS A 29 41.249 -12.200 -32.289 1.00 0.00 N ATOM 0 H LYS A 29 40.001 -14.656 -26.689 1.00 0.00 H new ATOM 0 HA LYS A 29 41.076 -11.897 -26.544 1.00 0.00 H new ATOM 0 HB2 LYS A 29 39.252 -13.407 -28.215 1.00 0.00 H new ATOM 0 HB3 LYS A 29 38.373 -12.057 -27.525 1.00 0.00 H new ATOM 0 HG2 LYS A 29 39.355 -10.740 -29.114 1.00 0.00 H new ATOM 0 HG3 LYS A 29 40.853 -10.919 -28.222 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.665 -12.618 -29.639 1.00 0.00 H new ATOM 0 HD3 LYS A 29 40.060 -13.169 -30.079 1.00 0.00 H new ATOM 0 HE2 LYS A 29 39.706 -11.044 -31.391 1.00 0.00 H new ATOM 0 HE3 LYS A 29 41.329 -10.529 -30.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 41.279 -11.607 -33.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 42.210 -12.525 -32.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 40.637 -13.023 -32.461 1.00 0.00 H new ATOM 379 N THR A 30 39.949 -11.567 -24.260 1.00 0.00 N ATOM 380 CA THR A 30 39.157 -11.140 -23.069 1.00 0.00 C ATOM 381 C THR A 30 38.888 -9.634 -23.160 1.00 0.00 C ATOM 382 O THR A 30 39.139 -9.019 -24.174 1.00 0.00 O ATOM 383 CB THR A 30 39.969 -11.443 -21.809 1.00 0.00 C ATOM 384 OG1 THR A 30 40.683 -12.659 -21.991 1.00 0.00 O ATOM 385 CG2 THR A 30 39.037 -11.573 -20.603 1.00 0.00 C ATOM 0 H THR A 30 40.952 -11.394 -24.201 1.00 0.00 H new ATOM 0 HA THR A 30 38.208 -11.674 -23.033 1.00 0.00 H new ATOM 0 HB THR A 30 40.670 -10.628 -21.629 1.00 0.00 H new ATOM 0 HG1 THR A 30 41.206 -12.855 -21.186 1.00 0.00 H new ATOM 0 HG21 THR A 30 39.625 -11.789 -19.711 1.00 0.00 H new ATOM 0 HG22 THR A 30 38.492 -10.639 -20.462 1.00 0.00 H new ATOM 0 HG23 THR A 30 38.329 -12.384 -20.776 1.00 0.00 H new ATOM 393 N LEU A 31 38.390 -9.024 -22.113 1.00 0.00 N ATOM 394 CA LEU A 31 38.139 -7.551 -22.172 1.00 0.00 C ATOM 395 C LEU A 31 39.195 -6.822 -21.360 1.00 0.00 C ATOM 396 O LEU A 31 39.261 -5.609 -21.363 1.00 0.00 O ATOM 397 CB LEU A 31 36.776 -7.195 -21.597 1.00 0.00 C ATOM 398 CG LEU A 31 35.624 -7.858 -22.385 1.00 0.00 C ATOM 399 CD1 LEU A 31 34.633 -6.779 -22.819 1.00 0.00 C ATOM 400 CD2 LEU A 31 36.130 -8.574 -23.647 1.00 0.00 C ATOM 0 H LEU A 31 38.149 -9.475 -21.231 1.00 0.00 H new ATOM 0 HA LEU A 31 38.175 -7.253 -23.220 1.00 0.00 H new ATOM 0 HB2 LEU A 31 36.729 -7.509 -20.554 1.00 0.00 H new ATOM 0 HB3 LEU A 31 36.648 -6.113 -21.610 1.00 0.00 H new ATOM 0 HG LEU A 31 35.156 -8.593 -21.731 1.00 0.00 H new ATOM 0 HD11 LEU A 31 33.816 -7.238 -23.376 1.00 0.00 H new ATOM 0 HD12 LEU A 31 34.234 -6.276 -21.938 1.00 0.00 H new ATOM 0 HD13 LEU A 31 35.141 -6.052 -23.453 1.00 0.00 H new ATOM 0 HD21 LEU A 31 35.288 -9.026 -24.171 1.00 0.00 H new ATOM 0 HD22 LEU A 31 36.621 -7.854 -24.302 1.00 0.00 H new ATOM 0 HD23 LEU A 31 36.841 -9.351 -23.364 1.00 0.00 H new ATOM 412 N LYS A 32 40.027 -7.537 -20.665 1.00 0.00 N ATOM 413 CA LYS A 32 41.062 -6.851 -19.872 1.00 0.00 C ATOM 414 C LYS A 32 41.846 -5.918 -20.804 1.00 0.00 C ATOM 415 O LYS A 32 41.505 -4.765 -20.967 1.00 0.00 O ATOM 416 CB LYS A 32 42.006 -7.875 -19.242 1.00 0.00 C ATOM 417 CG LYS A 32 41.384 -8.414 -17.952 1.00 0.00 C ATOM 418 CD LYS A 32 41.257 -9.935 -18.046 1.00 0.00 C ATOM 419 CE LYS A 32 42.532 -10.585 -17.508 1.00 0.00 C ATOM 420 NZ LYS A 32 42.722 -11.915 -18.153 1.00 0.00 N ATOM 0 H LYS A 32 40.032 -8.556 -20.615 1.00 0.00 H new ATOM 0 HA LYS A 32 40.597 -6.276 -19.072 1.00 0.00 H new ATOM 0 HB2 LYS A 32 42.191 -8.693 -19.939 1.00 0.00 H new ATOM 0 HB3 LYS A 32 42.970 -7.414 -19.029 1.00 0.00 H new ATOM 0 HG2 LYS A 32 42.002 -8.142 -17.096 1.00 0.00 H new ATOM 0 HG3 LYS A 32 40.403 -7.965 -17.793 1.00 0.00 H new ATOM 0 HD2 LYS A 32 40.393 -10.275 -17.475 1.00 0.00 H new ATOM 0 HD3 LYS A 32 41.092 -10.234 -19.081 1.00 0.00 H new ATOM 0 HE2 LYS A 32 43.392 -9.945 -17.709 1.00 0.00 H new ATOM 0 HE3 LYS A 32 42.466 -10.700 -16.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 43.589 -12.357 -17.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 41.906 -12.524 -17.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 42.803 -11.793 -19.183 1.00 0.00 H new ATOM 434 N LYS A 33 42.886 -6.406 -21.433 1.00 0.00 N ATOM 435 CA LYS A 33 43.662 -5.528 -22.361 1.00 0.00 C ATOM 436 C LYS A 33 44.997 -6.182 -22.736 1.00 0.00 C ATOM 437 O LYS A 33 45.454 -6.078 -23.858 1.00 0.00 O ATOM 438 CB LYS A 33 43.939 -4.185 -21.680 1.00 0.00 C ATOM 439 CG LYS A 33 44.106 -4.397 -20.174 1.00 0.00 C ATOM 440 CD LYS A 33 45.185 -3.453 -19.643 1.00 0.00 C ATOM 441 CE LYS A 33 46.531 -4.178 -19.626 1.00 0.00 C ATOM 442 NZ LYS A 33 47.573 -3.278 -19.057 1.00 0.00 N ATOM 0 H LYS A 33 43.228 -7.363 -21.346 1.00 0.00 H new ATOM 0 HA LYS A 33 43.075 -5.377 -23.267 1.00 0.00 H new ATOM 0 HB2 LYS A 33 44.840 -3.734 -22.096 1.00 0.00 H new ATOM 0 HB3 LYS A 33 43.119 -3.493 -21.871 1.00 0.00 H new ATOM 0 HG2 LYS A 33 43.161 -4.211 -19.663 1.00 0.00 H new ATOM 0 HG3 LYS A 33 44.381 -5.432 -19.970 1.00 0.00 H new ATOM 0 HD2 LYS A 33 45.246 -2.564 -20.270 1.00 0.00 H new ATOM 0 HD3 LYS A 33 44.928 -3.117 -18.638 1.00 0.00 H new ATOM 0 HE2 LYS A 33 46.458 -5.089 -19.032 1.00 0.00 H new ATOM 0 HE3 LYS A 33 46.807 -4.478 -20.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 48.489 -3.771 -19.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 47.648 -2.421 -19.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 47.310 -3.013 -18.086 1.00 0.00 H new ATOM 456 N GLU A 34 45.634 -6.838 -21.809 1.00 0.00 N ATOM 457 CA GLU A 34 46.944 -7.478 -22.111 1.00 0.00 C ATOM 458 C GLU A 34 46.808 -8.405 -23.320 1.00 0.00 C ATOM 459 O GLU A 34 47.756 -8.648 -24.040 1.00 0.00 O ATOM 460 CB GLU A 34 47.406 -8.292 -20.900 1.00 0.00 C ATOM 461 CG GLU A 34 47.482 -7.385 -19.671 1.00 0.00 C ATOM 462 CD GLU A 34 47.735 -8.236 -18.425 1.00 0.00 C ATOM 463 OE1 GLU A 34 47.853 -9.441 -18.569 1.00 0.00 O ATOM 464 OE2 GLU A 34 47.805 -7.667 -17.348 1.00 0.00 O ATOM 0 H GLU A 34 45.303 -6.959 -20.852 1.00 0.00 H new ATOM 0 HA GLU A 34 47.675 -6.701 -22.334 1.00 0.00 H new ATOM 0 HB2 GLU A 34 46.714 -9.114 -20.716 1.00 0.00 H new ATOM 0 HB3 GLU A 34 48.382 -8.736 -21.098 1.00 0.00 H new ATOM 0 HG2 GLU A 34 48.281 -6.654 -19.794 1.00 0.00 H new ATOM 0 HG3 GLU A 34 46.553 -6.826 -19.560 1.00 0.00 H new ATOM 471 N ALA A 35 45.642 -8.941 -23.532 1.00 0.00 N ATOM 472 CA ALA A 35 45.436 -9.870 -24.671 1.00 0.00 C ATOM 473 C ALA A 35 44.613 -9.199 -25.765 1.00 0.00 C ATOM 474 O ALA A 35 45.013 -9.107 -26.907 1.00 0.00 O ATOM 475 CB ALA A 35 44.675 -11.098 -24.172 1.00 0.00 C ATOM 0 H ALA A 35 44.815 -8.773 -22.959 1.00 0.00 H new ATOM 0 HA ALA A 35 46.407 -10.154 -25.077 1.00 0.00 H new ATOM 0 HB1 ALA A 35 44.517 -11.789 -25.000 1.00 0.00 H new ATOM 0 HB2 ALA A 35 45.254 -11.592 -23.392 1.00 0.00 H new ATOM 0 HB3 ALA A 35 43.711 -10.789 -23.768 1.00 0.00 H new ATOM 481 N LEU A 36 43.451 -8.765 -25.409 1.00 0.00 N ATOM 482 CA LEU A 36 42.526 -8.126 -26.385 1.00 0.00 C ATOM 483 C LEU A 36 43.129 -6.851 -26.973 1.00 0.00 C ATOM 484 O LEU A 36 43.030 -6.610 -28.157 1.00 0.00 O ATOM 485 CB LEU A 36 41.220 -7.780 -25.674 1.00 0.00 C ATOM 486 CG LEU A 36 41.533 -7.230 -24.281 1.00 0.00 C ATOM 487 CD1 LEU A 36 40.554 -6.110 -23.947 1.00 0.00 C ATOM 488 CD2 LEU A 36 41.411 -8.343 -23.242 1.00 0.00 C ATOM 0 H LEU A 36 43.087 -8.824 -24.458 1.00 0.00 H new ATOM 0 HA LEU A 36 42.348 -8.826 -27.201 1.00 0.00 H new ATOM 0 HB2 LEU A 36 40.662 -7.043 -26.252 1.00 0.00 H new ATOM 0 HB3 LEU A 36 40.590 -8.666 -25.595 1.00 0.00 H new ATOM 0 HG LEU A 36 42.551 -6.841 -24.269 1.00 0.00 H new ATOM 0 HD11 LEU A 36 40.776 -5.717 -22.955 1.00 0.00 H new ATOM 0 HD12 LEU A 36 40.649 -5.312 -24.683 1.00 0.00 H new ATOM 0 HD13 LEU A 36 39.536 -6.499 -23.964 1.00 0.00 H new ATOM 0 HD21 LEU A 36 41.635 -7.944 -22.253 1.00 0.00 H new ATOM 0 HD22 LEU A 36 40.396 -8.740 -23.251 1.00 0.00 H new ATOM 0 HD23 LEU A 36 42.115 -9.141 -23.479 1.00 0.00 H new ATOM 500 N GLU A 37 43.735 -6.018 -26.177 1.00 0.00 N ATOM 501 CA GLU A 37 44.297 -4.780 -26.747 1.00 0.00 C ATOM 502 C GLU A 37 45.487 -5.140 -27.632 1.00 0.00 C ATOM 503 O GLU A 37 45.915 -4.375 -28.474 1.00 0.00 O ATOM 504 CB GLU A 37 44.766 -3.838 -25.643 1.00 0.00 C ATOM 505 CG GLU A 37 45.357 -2.586 -26.296 1.00 0.00 C ATOM 506 CD GLU A 37 46.022 -1.714 -25.229 1.00 0.00 C ATOM 507 OE1 GLU A 37 45.577 -1.757 -24.094 1.00 0.00 O ATOM 508 OE2 GLU A 37 46.968 -1.021 -25.565 1.00 0.00 O ATOM 0 H GLU A 37 43.861 -6.143 -25.173 1.00 0.00 H new ATOM 0 HA GLU A 37 43.523 -4.278 -27.328 1.00 0.00 H new ATOM 0 HB2 GLU A 37 43.933 -3.570 -24.994 1.00 0.00 H new ATOM 0 HB3 GLU A 37 45.512 -4.328 -25.018 1.00 0.00 H new ATOM 0 HG2 GLU A 37 46.087 -2.869 -27.055 1.00 0.00 H new ATOM 0 HG3 GLU A 37 44.573 -2.023 -26.803 1.00 0.00 H new ATOM 515 N GLN A 38 46.026 -6.306 -27.431 1.00 0.00 N ATOM 516 CA GLN A 38 47.183 -6.757 -28.210 1.00 0.00 C ATOM 517 C GLN A 38 46.717 -7.216 -29.591 1.00 0.00 C ATOM 518 O GLN A 38 46.758 -6.482 -30.558 1.00 0.00 O ATOM 519 CB GLN A 38 47.803 -7.930 -27.455 1.00 0.00 C ATOM 520 CG GLN A 38 48.877 -8.564 -28.315 1.00 0.00 C ATOM 521 CD GLN A 38 49.989 -7.542 -28.550 1.00 0.00 C ATOM 522 OE1 GLN A 38 49.765 -6.527 -29.339 1.00 0.00 O flip ATOM 523 NE2 GLN A 38 51.072 -7.668 -28.013 1.00 0.00 N flip ATOM 0 H GLN A 38 45.695 -6.976 -26.737 1.00 0.00 H new ATOM 0 HA GLN A 38 47.909 -5.954 -28.339 1.00 0.00 H new ATOM 0 HB2 GLN A 38 48.230 -7.587 -26.513 1.00 0.00 H new ATOM 0 HB3 GLN A 38 47.037 -8.665 -27.208 1.00 0.00 H new ATOM 0 HG2 GLN A 38 49.278 -9.451 -27.825 1.00 0.00 H new ATOM 0 HG3 GLN A 38 48.456 -8.888 -29.266 1.00 0.00 H new ATOM 0 HE21 GLN A 38 51.246 -8.462 -27.396 1.00 0.00 H new ATOM 0 HE22 GLN A 38 51.807 -6.980 -28.179 1.00 0.00 H new ATOM 532 N PHE A 39 46.279 -8.434 -29.672 1.00 0.00 N ATOM 533 CA PHE A 39 45.802 -8.996 -30.957 1.00 0.00 C ATOM 534 C PHE A 39 44.306 -8.775 -31.115 1.00 0.00 C ATOM 535 O PHE A 39 43.682 -9.268 -32.035 1.00 0.00 O ATOM 536 CB PHE A 39 46.085 -10.487 -30.949 1.00 0.00 C ATOM 537 CG PHE A 39 45.171 -11.223 -29.983 1.00 0.00 C ATOM 538 CD1 PHE A 39 44.462 -10.535 -28.982 1.00 0.00 C ATOM 539 CD2 PHE A 39 45.042 -12.612 -30.090 1.00 0.00 C ATOM 540 CE1 PHE A 39 43.635 -11.236 -28.100 1.00 0.00 C ATOM 541 CE2 PHE A 39 44.213 -13.312 -29.207 1.00 0.00 C ATOM 542 CZ PHE A 39 43.508 -12.625 -28.211 1.00 0.00 C ATOM 0 H PHE A 39 46.231 -9.079 -28.883 1.00 0.00 H new ATOM 0 HA PHE A 39 46.313 -8.504 -31.784 1.00 0.00 H new ATOM 0 HB2 PHE A 39 45.953 -10.889 -31.954 1.00 0.00 H new ATOM 0 HB3 PHE A 39 47.125 -10.659 -30.671 1.00 0.00 H new ATOM 0 HD1 PHE A 39 44.557 -9.463 -28.895 1.00 0.00 H new ATOM 0 HD2 PHE A 39 45.584 -13.145 -30.857 1.00 0.00 H new ATOM 0 HE1 PHE A 39 43.093 -10.705 -27.332 1.00 0.00 H new ATOM 0 HE2 PHE A 39 44.117 -14.384 -29.294 1.00 0.00 H new ATOM 0 HZ PHE A 39 42.868 -13.166 -27.530 1.00 0.00 H new ATOM 552 N GLY A 40 43.723 -8.074 -30.204 1.00 0.00 N ATOM 553 CA GLY A 40 42.261 -7.852 -30.259 1.00 0.00 C ATOM 554 C GLY A 40 41.942 -6.414 -30.627 1.00 0.00 C ATOM 555 O GLY A 40 40.849 -6.106 -31.059 1.00 0.00 O ATOM 0 H GLY A 40 44.198 -7.639 -29.413 1.00 0.00 H new ATOM 0 HA2 GLY A 40 41.815 -8.526 -30.990 1.00 0.00 H new ATOM 0 HA3 GLY A 40 41.817 -8.091 -29.293 1.00 0.00 H new ATOM 559 N MET A 41 42.857 -5.516 -30.431 1.00 0.00 N ATOM 560 CA MET A 41 42.544 -4.107 -30.740 1.00 0.00 C ATOM 561 C MET A 41 41.243 -3.772 -30.026 1.00 0.00 C ATOM 562 O MET A 41 40.195 -3.619 -30.612 1.00 0.00 O ATOM 563 CB MET A 41 42.421 -3.915 -32.247 1.00 0.00 C ATOM 564 CG MET A 41 43.748 -3.360 -32.766 1.00 0.00 C ATOM 565 SD MET A 41 43.441 -1.872 -33.749 1.00 0.00 S ATOM 566 CE MET A 41 43.122 -2.705 -35.324 1.00 0.00 C ATOM 0 H MET A 41 43.796 -5.695 -30.075 1.00 0.00 H new ATOM 0 HA MET A 41 43.337 -3.441 -30.400 1.00 0.00 H new ATOM 0 HB2 MET A 41 42.189 -4.862 -32.733 1.00 0.00 H new ATOM 0 HB3 MET A 41 41.606 -3.230 -32.478 1.00 0.00 H new ATOM 0 HG2 MET A 41 44.408 -3.126 -31.930 1.00 0.00 H new ATOM 0 HG3 MET A 41 44.255 -4.110 -33.372 1.00 0.00 H new ATOM 0 HE1 MET A 41 42.905 -1.962 -36.091 1.00 0.00 H new ATOM 0 HE2 MET A 41 44.000 -3.281 -35.615 1.00 0.00 H new ATOM 0 HE3 MET A 41 42.269 -3.374 -35.215 1.00 0.00 H new ATOM 576 N TYR A 42 41.332 -3.719 -28.736 1.00 0.00 N ATOM 577 CA TYR A 42 40.160 -3.437 -27.874 1.00 0.00 C ATOM 578 C TYR A 42 39.968 -1.913 -27.718 1.00 0.00 C ATOM 579 O TYR A 42 39.033 -1.456 -27.091 1.00 0.00 O ATOM 580 CB TYR A 42 40.440 -4.088 -26.509 1.00 0.00 C ATOM 581 CG TYR A 42 41.152 -3.114 -25.589 1.00 0.00 C ATOM 582 CD1 TYR A 42 42.229 -2.359 -26.067 1.00 0.00 C ATOM 583 CD2 TYR A 42 40.730 -2.967 -24.261 1.00 0.00 C ATOM 584 CE1 TYR A 42 42.884 -1.458 -25.217 1.00 0.00 C ATOM 585 CE2 TYR A 42 41.385 -2.067 -23.413 1.00 0.00 C ATOM 586 CZ TYR A 42 42.462 -1.312 -23.891 1.00 0.00 C ATOM 587 OH TYR A 42 43.107 -0.424 -23.054 1.00 0.00 O ATOM 0 H TYR A 42 42.201 -3.865 -28.223 1.00 0.00 H new ATOM 0 HA TYR A 42 39.246 -3.839 -28.312 1.00 0.00 H new ATOM 0 HB2 TYR A 42 39.503 -4.408 -26.054 1.00 0.00 H new ATOM 0 HB3 TYR A 42 41.050 -4.981 -26.644 1.00 0.00 H new ATOM 0 HD1 TYR A 42 42.555 -2.471 -27.091 1.00 0.00 H new ATOM 0 HD2 TYR A 42 39.898 -3.549 -23.892 1.00 0.00 H new ATOM 0 HE1 TYR A 42 43.715 -0.876 -25.586 1.00 0.00 H new ATOM 0 HE2 TYR A 42 41.059 -1.955 -22.389 1.00 0.00 H new ATOM 0 HH TYR A 42 44.076 -0.551 -23.127 1.00 0.00 H new ATOM 597 N SER A 43 40.859 -1.134 -28.270 1.00 0.00 N ATOM 598 CA SER A 43 40.759 0.355 -28.147 1.00 0.00 C ATOM 599 C SER A 43 39.327 0.833 -28.409 1.00 0.00 C ATOM 600 O SER A 43 38.521 0.130 -28.975 1.00 0.00 O ATOM 601 CB SER A 43 41.691 1.005 -29.157 1.00 0.00 C ATOM 602 OG SER A 43 42.643 1.812 -28.478 1.00 0.00 O ATOM 0 H SER A 43 41.660 -1.466 -28.807 1.00 0.00 H new ATOM 0 HA SER A 43 41.041 0.637 -27.132 1.00 0.00 H new ATOM 0 HB2 SER A 43 42.200 0.239 -29.742 1.00 0.00 H new ATOM 0 HB3 SER A 43 41.118 1.613 -29.857 1.00 0.00 H new ATOM 0 HG SER A 43 43.244 2.229 -29.131 1.00 0.00 H new ATOM 608 N GLU A 44 39.006 2.033 -28.003 1.00 0.00 N ATOM 609 CA GLU A 44 37.631 2.554 -28.236 1.00 0.00 C ATOM 610 C GLU A 44 37.220 2.282 -29.684 1.00 0.00 C ATOM 611 O GLU A 44 36.424 1.415 -29.949 1.00 0.00 O ATOM 612 CB GLU A 44 37.575 4.060 -27.949 1.00 0.00 C ATOM 613 CG GLU A 44 38.866 4.738 -28.418 1.00 0.00 C ATOM 614 CD GLU A 44 39.477 5.533 -27.263 1.00 0.00 C ATOM 615 OE1 GLU A 44 38.947 6.587 -26.950 1.00 0.00 O ATOM 616 OE2 GLU A 44 40.466 5.078 -26.714 1.00 0.00 O ATOM 0 H GLU A 44 39.637 2.673 -27.521 1.00 0.00 H new ATOM 0 HA GLU A 44 36.940 2.047 -27.562 1.00 0.00 H new ATOM 0 HB2 GLU A 44 36.718 4.503 -28.457 1.00 0.00 H new ATOM 0 HB3 GLU A 44 37.434 4.229 -26.881 1.00 0.00 H new ATOM 0 HG2 GLU A 44 39.574 3.989 -28.772 1.00 0.00 H new ATOM 0 HG3 GLU A 44 38.656 5.400 -29.258 1.00 0.00 H new ATOM 623 N ASP A 45 37.752 3.009 -30.625 1.00 0.00 N ATOM 624 CA ASP A 45 37.376 2.783 -32.044 1.00 0.00 C ATOM 625 C ASP A 45 37.594 1.323 -32.433 1.00 0.00 C ATOM 626 O ASP A 45 37.081 0.852 -33.429 1.00 0.00 O ATOM 627 CB ASP A 45 38.229 3.677 -32.923 1.00 0.00 C ATOM 628 CG ASP A 45 37.606 3.775 -34.317 1.00 0.00 C ATOM 629 OD1 ASP A 45 36.394 3.672 -34.412 1.00 0.00 O ATOM 630 OD2 ASP A 45 38.351 3.952 -35.266 1.00 0.00 O ATOM 0 H ASP A 45 38.433 3.752 -30.470 1.00 0.00 H new ATOM 0 HA ASP A 45 36.320 3.019 -32.177 1.00 0.00 H new ATOM 0 HB2 ASP A 45 38.310 4.669 -32.479 1.00 0.00 H new ATOM 0 HB3 ASP A 45 39.240 3.276 -32.993 1.00 0.00 H new ATOM 635 N ALA A 46 38.352 0.604 -31.663 1.00 0.00 N ATOM 636 CA ALA A 46 38.607 -0.823 -31.993 1.00 0.00 C ATOM 637 C ALA A 46 37.430 -1.689 -31.527 1.00 0.00 C ATOM 638 O ALA A 46 36.574 -2.065 -32.307 1.00 0.00 O ATOM 639 CB ALA A 46 39.913 -1.246 -31.322 1.00 0.00 C ATOM 0 H ALA A 46 38.809 0.942 -30.816 1.00 0.00 H new ATOM 0 HA ALA A 46 38.701 -0.955 -33.071 1.00 0.00 H new ATOM 0 HB1 ALA A 46 40.118 -2.291 -31.552 1.00 0.00 H new ATOM 0 HB2 ALA A 46 40.730 -0.626 -31.692 1.00 0.00 H new ATOM 0 HB3 ALA A 46 39.824 -1.123 -30.243 1.00 0.00 H new ATOM 645 N ILE A 47 37.369 -2.008 -30.273 1.00 0.00 N ATOM 646 CA ILE A 47 36.244 -2.835 -29.770 1.00 0.00 C ATOM 647 C ILE A 47 34.917 -2.185 -30.154 1.00 0.00 C ATOM 648 O ILE A 47 33.884 -2.823 -30.192 1.00 0.00 O ATOM 649 CB ILE A 47 36.346 -2.915 -28.261 1.00 0.00 C ATOM 650 CG1 ILE A 47 35.232 -3.806 -27.717 1.00 0.00 C ATOM 651 CG2 ILE A 47 36.188 -1.524 -27.664 1.00 0.00 C ATOM 652 CD1 ILE A 47 35.159 -3.644 -26.195 1.00 0.00 C ATOM 0 H ILE A 47 38.053 -1.731 -29.568 1.00 0.00 H new ATOM 0 HA ILE A 47 36.291 -3.833 -30.206 1.00 0.00 H new ATOM 0 HB ILE A 47 37.318 -3.329 -27.994 1.00 0.00 H new ATOM 0 HG12 ILE A 47 34.278 -3.535 -28.170 1.00 0.00 H new ATOM 0 HG13 ILE A 47 35.423 -4.847 -27.976 1.00 0.00 H new ATOM 0 HG21 ILE A 47 36.262 -1.584 -26.578 1.00 0.00 H new ATOM 0 HG22 ILE A 47 36.974 -0.873 -28.046 1.00 0.00 H new ATOM 0 HG23 ILE A 47 35.215 -1.118 -27.940 1.00 0.00 H new ATOM 0 HD11 ILE A 47 34.365 -4.278 -25.799 1.00 0.00 H new ATOM 0 HD12 ILE A 47 36.111 -3.936 -25.752 1.00 0.00 H new ATOM 0 HD13 ILE A 47 34.949 -2.603 -25.950 1.00 0.00 H new ATOM 664 N ILE A 48 34.946 -0.916 -30.437 1.00 0.00 N ATOM 665 CA ILE A 48 33.699 -0.199 -30.821 1.00 0.00 C ATOM 666 C ILE A 48 33.126 -0.859 -32.085 1.00 0.00 C ATOM 667 O ILE A 48 31.940 -1.107 -32.182 1.00 0.00 O ATOM 668 CB ILE A 48 34.024 1.287 -31.060 1.00 0.00 C ATOM 669 CG1 ILE A 48 33.985 2.041 -29.726 1.00 0.00 C ATOM 670 CG2 ILE A 48 32.998 1.909 -31.994 1.00 0.00 C ATOM 671 CD1 ILE A 48 34.616 3.423 -29.898 1.00 0.00 C ATOM 0 H ILE A 48 35.787 -0.338 -30.419 1.00 0.00 H new ATOM 0 HA ILE A 48 32.954 -0.259 -30.028 1.00 0.00 H new ATOM 0 HB ILE A 48 35.015 1.357 -31.507 1.00 0.00 H new ATOM 0 HG12 ILE A 48 32.955 2.141 -29.383 1.00 0.00 H new ATOM 0 HG13 ILE A 48 34.522 1.478 -28.963 1.00 0.00 H new ATOM 0 HG21 ILE A 48 33.241 2.960 -32.154 1.00 0.00 H new ATOM 0 HG22 ILE A 48 33.011 1.385 -32.949 1.00 0.00 H new ATOM 0 HG23 ILE A 48 32.006 1.829 -31.550 1.00 0.00 H new ATOM 0 HD11 ILE A 48 34.587 3.957 -28.948 1.00 0.00 H new ATOM 0 HD12 ILE A 48 35.651 3.313 -30.221 1.00 0.00 H new ATOM 0 HD13 ILE A 48 34.060 3.986 -30.648 1.00 0.00 H new ATOM 683 N TYR A 49 33.964 -1.176 -33.038 1.00 0.00 N ATOM 684 CA TYR A 49 33.476 -1.859 -34.275 1.00 0.00 C ATOM 685 C TYR A 49 33.316 -3.345 -33.969 1.00 0.00 C ATOM 686 O TYR A 49 32.653 -4.074 -34.669 1.00 0.00 O ATOM 687 CB TYR A 49 34.489 -1.676 -35.403 1.00 0.00 C ATOM 688 CG TYR A 49 33.944 -2.308 -36.657 1.00 0.00 C ATOM 689 CD1 TYR A 49 33.944 -3.700 -36.793 1.00 0.00 C ATOM 690 CD2 TYR A 49 33.432 -1.505 -37.680 1.00 0.00 C ATOM 691 CE1 TYR A 49 33.434 -4.290 -37.951 1.00 0.00 C ATOM 692 CE2 TYR A 49 32.920 -2.094 -38.841 1.00 0.00 C ATOM 693 CZ TYR A 49 32.919 -3.489 -38.978 1.00 0.00 C ATOM 694 OH TYR A 49 32.414 -4.069 -40.123 1.00 0.00 O ATOM 0 H TYR A 49 34.967 -0.991 -33.014 1.00 0.00 H new ATOM 0 HA TYR A 49 32.523 -1.431 -34.587 1.00 0.00 H new ATOM 0 HB2 TYR A 49 34.681 -0.616 -35.568 1.00 0.00 H new ATOM 0 HB3 TYR A 49 35.440 -2.134 -35.133 1.00 0.00 H new ATOM 0 HD1 TYR A 49 34.339 -4.319 -36.001 1.00 0.00 H new ATOM 0 HD2 TYR A 49 33.432 -0.430 -37.574 1.00 0.00 H new ATOM 0 HE1 TYR A 49 33.437 -5.365 -38.055 1.00 0.00 H new ATOM 0 HE2 TYR A 49 32.525 -1.474 -39.632 1.00 0.00 H new ATOM 0 HH TYR A 49 32.097 -3.369 -40.732 1.00 0.00 H new ATOM 704 N GLN A 50 33.908 -3.803 -32.915 1.00 0.00 N ATOM 705 CA GLN A 50 33.761 -5.237 -32.565 1.00 0.00 C ATOM 706 C GLN A 50 32.478 -5.391 -31.723 1.00 0.00 C ATOM 707 O GLN A 50 32.030 -6.485 -31.442 1.00 0.00 O ATOM 708 CB GLN A 50 35.029 -5.675 -31.811 1.00 0.00 C ATOM 709 CG GLN A 50 34.745 -6.735 -30.743 1.00 0.00 C ATOM 710 CD GLN A 50 34.883 -8.127 -31.363 1.00 0.00 C ATOM 711 OE1 GLN A 50 35.923 -8.397 -32.104 1.00 0.00 O flip ATOM 712 NE2 GLN A 50 34.039 -8.979 -31.172 1.00 0.00 N flip ATOM 0 H GLN A 50 34.486 -3.253 -32.280 1.00 0.00 H new ATOM 0 HA GLN A 50 33.661 -5.876 -33.443 1.00 0.00 H new ATOM 0 HB2 GLN A 50 35.753 -6.069 -32.524 1.00 0.00 H new ATOM 0 HB3 GLN A 50 35.486 -4.804 -31.341 1.00 0.00 H new ATOM 0 HG2 GLN A 50 35.440 -6.624 -29.911 1.00 0.00 H new ATOM 0 HG3 GLN A 50 33.741 -6.602 -30.340 1.00 0.00 H new ATOM 0 HE21 GLN A 50 33.225 -8.770 -30.593 1.00 0.00 H new ATOM 0 HE22 GLN A 50 34.144 -9.903 -31.590 1.00 0.00 H new ATOM 721 N VAL A 51 31.875 -4.286 -31.339 1.00 0.00 N ATOM 722 CA VAL A 51 30.617 -4.333 -30.528 1.00 0.00 C ATOM 723 C VAL A 51 29.418 -3.898 -31.383 1.00 0.00 C ATOM 724 O VAL A 51 28.307 -4.378 -31.219 1.00 0.00 O ATOM 725 CB VAL A 51 30.740 -3.343 -29.375 1.00 0.00 C ATOM 726 CG1 VAL A 51 29.510 -3.454 -28.472 1.00 0.00 C ATOM 727 CG2 VAL A 51 32.000 -3.648 -28.565 1.00 0.00 C ATOM 0 H VAL A 51 32.206 -3.346 -31.557 1.00 0.00 H new ATOM 0 HA VAL A 51 30.469 -5.351 -30.167 1.00 0.00 H new ATOM 0 HB VAL A 51 30.806 -2.331 -29.775 1.00 0.00 H new ATOM 0 HG11 VAL A 51 29.599 -2.746 -27.648 1.00 0.00 H new ATOM 0 HG12 VAL A 51 28.613 -3.229 -29.049 1.00 0.00 H new ATOM 0 HG13 VAL A 51 29.441 -4.467 -28.075 1.00 0.00 H new ATOM 0 HG21 VAL A 51 32.084 -2.938 -27.742 1.00 0.00 H new ATOM 0 HG22 VAL A 51 31.940 -4.661 -28.166 1.00 0.00 H new ATOM 0 HG23 VAL A 51 32.876 -3.563 -29.208 1.00 0.00 H new ATOM 737 N GLN A 52 29.638 -2.988 -32.291 1.00 0.00 N ATOM 738 CA GLN A 52 28.538 -2.500 -33.151 1.00 0.00 C ATOM 739 C GLN A 52 28.147 -3.597 -34.102 1.00 0.00 C ATOM 740 O GLN A 52 27.187 -3.485 -34.839 1.00 0.00 O ATOM 741 CB GLN A 52 29.027 -1.326 -33.965 1.00 0.00 C ATOM 742 CG GLN A 52 28.162 -0.097 -33.684 1.00 0.00 C ATOM 743 CD GLN A 52 29.043 1.154 -33.652 1.00 0.00 C ATOM 744 OE1 GLN A 52 30.043 1.215 -32.816 1.00 0.00 O flip ATOM 745 NE2 GLN A 52 28.819 2.087 -34.396 1.00 0.00 N flip ATOM 0 H GLN A 52 30.546 -2.560 -32.471 1.00 0.00 H new ATOM 0 HA GLN A 52 27.691 -2.204 -32.532 1.00 0.00 H new ATOM 0 HB2 GLN A 52 30.067 -1.112 -33.721 1.00 0.00 H new ATOM 0 HB3 GLN A 52 28.993 -1.570 -35.027 1.00 0.00 H new ATOM 0 HG2 GLN A 52 27.396 0.005 -34.453 1.00 0.00 H new ATOM 0 HG3 GLN A 52 27.644 -0.214 -32.732 1.00 0.00 H new ATOM 0 HE21 GLN A 52 28.038 2.041 -35.050 1.00 0.00 H new ATOM 0 HE22 GLN A 52 29.412 2.916 -34.367 1.00 0.00 H new ATOM 754 N HIS A 53 28.891 -4.653 -34.117 1.00 0.00 N ATOM 755 CA HIS A 53 28.563 -5.720 -35.035 1.00 0.00 C ATOM 756 C HIS A 53 29.337 -6.954 -34.633 1.00 0.00 C ATOM 757 O HIS A 53 29.814 -7.709 -35.458 1.00 0.00 O ATOM 758 CB HIS A 53 28.904 -5.322 -36.463 1.00 0.00 C ATOM 759 CG HIS A 53 29.672 -4.013 -36.552 1.00 0.00 C ATOM 760 ND1 HIS A 53 30.467 -3.312 -35.667 1.00 0.00 N flip ATOM 761 CD2 HIS A 53 29.648 -3.246 -37.709 1.00 0.00 C flip ATOM 762 CE1 HIS A 53 30.918 -2.142 -36.266 1.00 0.00 C flip ATOM 763 NE2 HIS A 53 30.397 -2.151 -37.491 1.00 0.00 N flip ATOM 0 H HIS A 53 29.709 -4.810 -33.528 1.00 0.00 H new ATOM 0 HA HIS A 53 27.493 -5.924 -34.993 1.00 0.00 H new ATOM 0 HB2 HIS A 53 29.494 -6.114 -36.923 1.00 0.00 H new ATOM 0 HB3 HIS A 53 27.983 -5.235 -37.039 1.00 0.00 H new ATOM 0 HD1 HIS A 53 30.690 -3.608 -34.717 1.00 0.00 H new ATOM 0 HD2 HIS A 53 29.122 -3.486 -38.621 1.00 0.00 H new ATOM 0 HE1 HIS A 53 31.555 -1.387 -35.831 1.00 0.00 H new ATOM 0 HE2 HIS A 53 30.548 -1.415 -38.181 1.00 0.00 H new ATOM 771 N GLY A 54 29.465 -7.165 -33.358 1.00 0.00 N ATOM 772 CA GLY A 54 30.207 -8.346 -32.891 1.00 0.00 C ATOM 773 C GLY A 54 31.512 -8.433 -33.650 1.00 0.00 C ATOM 774 O GLY A 54 32.233 -7.469 -33.813 1.00 0.00 O ATOM 0 H GLY A 54 29.086 -6.567 -32.624 1.00 0.00 H new ATOM 0 HA2 GLY A 54 30.397 -8.273 -31.820 1.00 0.00 H new ATOM 0 HA3 GLY A 54 29.617 -9.249 -33.049 1.00 0.00 H new ATOM 778 N LYS A 55 31.787 -9.600 -34.100 1.00 0.00 N ATOM 779 CA LYS A 55 33.030 -9.884 -34.875 1.00 0.00 C ATOM 780 C LYS A 55 33.368 -11.362 -34.719 1.00 0.00 C ATOM 781 O LYS A 55 33.345 -11.900 -33.631 1.00 0.00 O ATOM 782 CB LYS A 55 34.190 -9.037 -34.349 1.00 0.00 C ATOM 783 CG LYS A 55 34.602 -7.966 -35.378 1.00 0.00 C ATOM 784 CD LYS A 55 33.400 -7.452 -36.187 1.00 0.00 C ATOM 785 CE LYS A 55 33.571 -7.852 -37.655 1.00 0.00 C ATOM 786 NZ LYS A 55 34.905 -7.397 -38.141 1.00 0.00 N ATOM 0 H LYS A 55 31.186 -10.413 -33.965 1.00 0.00 H new ATOM 0 HA LYS A 55 32.870 -9.639 -35.925 1.00 0.00 H new ATOM 0 HB2 LYS A 55 33.900 -8.556 -33.415 1.00 0.00 H new ATOM 0 HB3 LYS A 55 35.042 -9.679 -34.126 1.00 0.00 H new ATOM 0 HG2 LYS A 55 35.076 -7.131 -34.862 1.00 0.00 H new ATOM 0 HG3 LYS A 55 35.345 -8.383 -36.058 1.00 0.00 H new ATOM 0 HD2 LYS A 55 32.474 -7.869 -35.790 1.00 0.00 H new ATOM 0 HD3 LYS A 55 33.325 -6.368 -36.100 1.00 0.00 H new ATOM 0 HE2 LYS A 55 33.483 -8.933 -37.761 1.00 0.00 H new ATOM 0 HE3 LYS A 55 32.780 -7.407 -38.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 34.818 -7.047 -39.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 35.256 -6.633 -37.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 35.573 -8.194 -38.118 1.00 0.00 H new ATOM 800 N ASN A 56 33.664 -12.027 -35.799 1.00 0.00 N ATOM 801 CA ASN A 56 33.983 -13.476 -35.713 1.00 0.00 C ATOM 802 C ASN A 56 32.755 -14.218 -35.177 1.00 0.00 C ATOM 803 O ASN A 56 31.915 -14.672 -35.929 1.00 0.00 O ATOM 804 CB ASN A 56 35.171 -13.691 -34.773 1.00 0.00 C ATOM 805 CG ASN A 56 36.456 -13.231 -35.465 1.00 0.00 C ATOM 806 OD1 ASN A 56 37.042 -13.966 -36.233 1.00 0.00 O ATOM 807 ND2 ASN A 56 36.920 -12.035 -35.224 1.00 0.00 N ATOM 0 H ASN A 56 33.699 -11.629 -36.737 1.00 0.00 H new ATOM 0 HA ASN A 56 34.244 -13.857 -36.700 1.00 0.00 H new ATOM 0 HB2 ASN A 56 35.023 -13.133 -33.848 1.00 0.00 H new ATOM 0 HB3 ASN A 56 35.248 -14.744 -34.501 1.00 0.00 H new ATOM 0 HD21 ASN A 56 37.775 -11.718 -35.681 1.00 0.00 H new ATOM 0 HD22 ASN A 56 36.428 -11.417 -34.579 1.00 0.00 H new ATOM 814 N ALA A 57 32.634 -14.331 -33.880 1.00 0.00 N ATOM 815 CA ALA A 57 31.452 -15.027 -33.296 1.00 0.00 C ATOM 816 C ALA A 57 30.849 -14.147 -32.196 1.00 0.00 C ATOM 817 O ALA A 57 30.622 -14.587 -31.088 1.00 0.00 O ATOM 818 CB ALA A 57 31.884 -16.367 -32.699 1.00 0.00 C ATOM 0 H ALA A 57 33.304 -13.971 -33.200 1.00 0.00 H new ATOM 0 HA ALA A 57 30.711 -15.206 -34.075 1.00 0.00 H new ATOM 0 HB1 ALA A 57 31.017 -16.872 -32.273 1.00 0.00 H new ATOM 0 HB2 ALA A 57 32.320 -16.990 -33.480 1.00 0.00 H new ATOM 0 HB3 ALA A 57 32.624 -16.195 -31.917 1.00 0.00 H new ATOM 824 N MET A 58 30.596 -12.902 -32.499 1.00 0.00 N ATOM 825 CA MET A 58 30.018 -11.980 -31.479 1.00 0.00 C ATOM 826 C MET A 58 28.720 -11.368 -32.033 1.00 0.00 C ATOM 827 O MET A 58 28.630 -11.084 -33.211 1.00 0.00 O ATOM 828 CB MET A 58 31.051 -10.886 -31.173 1.00 0.00 C ATOM 829 CG MET A 58 30.510 -9.928 -30.117 1.00 0.00 C ATOM 830 SD MET A 58 31.722 -8.632 -29.773 1.00 0.00 S ATOM 831 CE MET A 58 30.575 -7.464 -29.004 1.00 0.00 C ATOM 0 H MET A 58 30.766 -12.482 -33.413 1.00 0.00 H new ATOM 0 HA MET A 58 29.782 -12.516 -30.559 1.00 0.00 H new ATOM 0 HB2 MET A 58 31.978 -11.339 -30.822 1.00 0.00 H new ATOM 0 HB3 MET A 58 31.290 -10.337 -32.084 1.00 0.00 H new ATOM 0 HG2 MET A 58 29.578 -9.482 -30.463 1.00 0.00 H new ATOM 0 HG3 MET A 58 30.281 -10.475 -29.202 1.00 0.00 H new ATOM 0 HE1 MET A 58 31.122 -6.581 -28.673 1.00 0.00 H new ATOM 0 HE2 MET A 58 29.816 -7.169 -29.728 1.00 0.00 H new ATOM 0 HE3 MET A 58 30.095 -7.936 -28.147 1.00 0.00 H new ATOM 841 N PRO A 59 27.743 -11.206 -31.170 1.00 0.00 N ATOM 842 CA PRO A 59 26.423 -10.657 -31.548 1.00 0.00 C ATOM 843 C PRO A 59 26.466 -9.172 -31.938 1.00 0.00 C ATOM 844 O PRO A 59 26.543 -8.290 -31.106 1.00 0.00 O ATOM 845 CB PRO A 59 25.561 -10.901 -30.303 1.00 0.00 C ATOM 846 CG PRO A 59 26.532 -11.095 -29.124 1.00 0.00 C ATOM 847 CD PRO A 59 27.864 -11.551 -29.735 1.00 0.00 C ATOM 0 HA PRO A 59 26.028 -11.137 -32.443 1.00 0.00 H new ATOM 0 HB2 PRO A 59 24.896 -10.057 -30.122 1.00 0.00 H new ATOM 0 HB3 PRO A 59 24.931 -11.781 -30.435 1.00 0.00 H new ATOM 0 HG2 PRO A 59 26.657 -10.167 -28.566 1.00 0.00 H new ATOM 0 HG3 PRO A 59 26.150 -11.838 -28.424 1.00 0.00 H new ATOM 0 HD2 PRO A 59 28.709 -11.041 -29.273 1.00 0.00 H new ATOM 0 HD3 PRO A 59 28.021 -12.620 -29.594 1.00 0.00 H new ATOM 855 N ALA A 60 26.388 -8.913 -33.223 1.00 0.00 N ATOM 856 CA ALA A 60 26.391 -7.526 -33.747 1.00 0.00 C ATOM 857 C ALA A 60 25.218 -6.728 -33.174 1.00 0.00 C ATOM 858 O ALA A 60 24.068 -7.050 -33.407 1.00 0.00 O ATOM 859 CB ALA A 60 26.235 -7.612 -35.268 1.00 0.00 C ATOM 0 H ALA A 60 26.321 -9.632 -33.943 1.00 0.00 H new ATOM 0 HA ALA A 60 27.317 -7.026 -33.465 1.00 0.00 H new ATOM 0 HB1 ALA A 60 26.233 -6.607 -35.691 1.00 0.00 H new ATOM 0 HB2 ALA A 60 27.065 -8.180 -35.687 1.00 0.00 H new ATOM 0 HB3 ALA A 60 25.296 -8.110 -35.510 1.00 0.00 H new ATOM 865 N PHE A 61 25.487 -5.674 -32.448 1.00 0.00 N ATOM 866 CA PHE A 61 24.389 -4.861 -31.903 1.00 0.00 C ATOM 867 C PHE A 61 23.984 -3.836 -32.960 1.00 0.00 C ATOM 868 O PHE A 61 22.821 -3.684 -33.280 1.00 0.00 O ATOM 869 CB PHE A 61 24.875 -4.153 -30.639 1.00 0.00 C ATOM 870 CG PHE A 61 25.115 -5.190 -29.569 1.00 0.00 C ATOM 871 CD1 PHE A 61 26.138 -6.132 -29.730 1.00 0.00 C ATOM 872 CD2 PHE A 61 24.314 -5.215 -28.422 1.00 0.00 C ATOM 873 CE1 PHE A 61 26.363 -7.097 -28.746 1.00 0.00 C ATOM 874 CE2 PHE A 61 24.540 -6.183 -27.435 1.00 0.00 C ATOM 875 CZ PHE A 61 25.564 -7.123 -27.599 1.00 0.00 C ATOM 0 H PHE A 61 26.426 -5.350 -32.215 1.00 0.00 H new ATOM 0 HA PHE A 61 23.532 -5.485 -31.650 1.00 0.00 H new ATOM 0 HB2 PHE A 61 25.792 -3.601 -30.843 1.00 0.00 H new ATOM 0 HB3 PHE A 61 24.134 -3.427 -30.303 1.00 0.00 H new ATOM 0 HD1 PHE A 61 26.754 -6.112 -30.617 1.00 0.00 H new ATOM 0 HD2 PHE A 61 23.523 -4.490 -28.298 1.00 0.00 H new ATOM 0 HE1 PHE A 61 27.153 -7.822 -28.871 1.00 0.00 H new ATOM 0 HE2 PHE A 61 23.924 -6.204 -26.548 1.00 0.00 H new ATOM 0 HZ PHE A 61 25.737 -7.870 -26.838 1.00 0.00 H new ATOM 885 N ALA A 62 24.947 -3.140 -33.507 1.00 0.00 N ATOM 886 CA ALA A 62 24.647 -2.120 -34.557 1.00 0.00 C ATOM 887 C ALA A 62 23.371 -1.365 -34.195 1.00 0.00 C ATOM 888 O ALA A 62 22.674 -0.859 -35.052 1.00 0.00 O ATOM 889 CB ALA A 62 24.464 -2.815 -35.907 1.00 0.00 C ATOM 0 H ALA A 62 25.935 -3.235 -33.270 1.00 0.00 H new ATOM 0 HA ALA A 62 25.476 -1.415 -34.620 1.00 0.00 H new ATOM 0 HB1 ALA A 62 24.245 -2.071 -36.673 1.00 0.00 H new ATOM 0 HB2 ALA A 62 25.378 -3.347 -36.169 1.00 0.00 H new ATOM 0 HB3 ALA A 62 23.638 -3.523 -35.843 1.00 0.00 H new ATOM 895 N GLY A 63 23.053 -1.290 -32.934 1.00 0.00 N ATOM 896 CA GLY A 63 21.818 -0.575 -32.525 1.00 0.00 C ATOM 897 C GLY A 63 20.992 -1.501 -31.641 1.00 0.00 C ATOM 898 O GLY A 63 19.778 -1.455 -31.630 1.00 0.00 O ATOM 0 H GLY A 63 23.596 -1.693 -32.170 1.00 0.00 H new ATOM 0 HA2 GLY A 63 22.070 0.338 -31.985 1.00 0.00 H new ATOM 0 HA3 GLY A 63 21.244 -0.278 -33.403 1.00 0.00 H new ATOM 902 N ARG A 64 21.649 -2.336 -30.888 1.00 0.00 N ATOM 903 CA ARG A 64 20.928 -3.261 -29.988 1.00 0.00 C ATOM 904 C ARG A 64 21.036 -2.656 -28.608 1.00 0.00 C ATOM 905 O ARG A 64 20.060 -2.467 -27.909 1.00 0.00 O ATOM 906 CB ARG A 64 21.604 -4.626 -30.031 1.00 0.00 C ATOM 907 CG ARG A 64 21.129 -5.485 -28.867 1.00 0.00 C ATOM 908 CD ARG A 64 21.956 -6.764 -28.859 1.00 0.00 C ATOM 909 NE ARG A 64 21.113 -7.901 -29.329 1.00 0.00 N ATOM 910 CZ ARG A 64 20.830 -8.885 -28.518 1.00 0.00 C ATOM 911 NH1 ARG A 64 21.657 -9.885 -28.394 1.00 0.00 N ATOM 912 NH2 ARG A 64 19.719 -8.867 -27.834 1.00 0.00 N ATOM 0 H ARG A 64 22.666 -2.414 -30.861 1.00 0.00 H new ATOM 0 HA ARG A 64 19.885 -3.397 -30.275 1.00 0.00 H new ATOM 0 HB2 ARG A 64 21.378 -5.122 -30.975 1.00 0.00 H new ATOM 0 HB3 ARG A 64 22.686 -4.505 -29.986 1.00 0.00 H new ATOM 0 HG2 ARG A 64 21.246 -4.949 -27.925 1.00 0.00 H new ATOM 0 HG3 ARG A 64 20.069 -5.717 -28.972 1.00 0.00 H new ATOM 0 HD2 ARG A 64 22.827 -6.651 -29.505 1.00 0.00 H new ATOM 0 HD3 ARG A 64 22.328 -6.964 -27.854 1.00 0.00 H new ATOM 0 HE ARG A 64 20.757 -7.910 -30.285 1.00 0.00 H new ATOM 0 HH11 ARG A 64 22.525 -9.899 -28.930 1.00 0.00 H new ATOM 0 HH12 ARG A 64 21.436 -10.654 -27.761 1.00 0.00 H new ATOM 0 HH21 ARG A 64 19.072 -8.085 -27.933 1.00 0.00 H new ATOM 0 HH22 ARG A 64 19.498 -9.635 -27.201 1.00 0.00 H new ATOM 926 N LEU A 65 22.232 -2.287 -28.246 1.00 0.00 N ATOM 927 CA LEU A 65 22.431 -1.612 -26.947 1.00 0.00 C ATOM 928 C LEU A 65 21.648 -0.307 -27.006 1.00 0.00 C ATOM 929 O LEU A 65 20.591 -0.230 -27.600 1.00 0.00 O ATOM 930 CB LEU A 65 23.922 -1.326 -26.742 1.00 0.00 C ATOM 931 CG LEU A 65 24.710 -2.635 -26.826 1.00 0.00 C ATOM 932 CD1 LEU A 65 26.146 -2.395 -26.362 1.00 0.00 C ATOM 933 CD2 LEU A 65 24.055 -3.684 -25.925 1.00 0.00 C ATOM 0 H LEU A 65 23.078 -2.427 -28.799 1.00 0.00 H new ATOM 0 HA LEU A 65 22.088 -2.232 -26.118 1.00 0.00 H new ATOM 0 HB2 LEU A 65 24.276 -0.627 -27.499 1.00 0.00 H new ATOM 0 HB3 LEU A 65 24.083 -0.854 -25.773 1.00 0.00 H new ATOM 0 HG LEU A 65 24.714 -2.991 -27.856 1.00 0.00 H new ATOM 0 HD11 LEU A 65 26.708 -3.327 -26.421 1.00 0.00 H new ATOM 0 HD12 LEU A 65 26.615 -1.647 -27.001 1.00 0.00 H new ATOM 0 HD13 LEU A 65 26.141 -2.040 -25.332 1.00 0.00 H new ATOM 0 HD21 LEU A 65 24.616 -4.616 -25.985 1.00 0.00 H new ATOM 0 HD22 LEU A 65 24.052 -3.328 -24.895 1.00 0.00 H new ATOM 0 HD23 LEU A 65 23.030 -3.856 -26.253 1.00 0.00 H new ATOM 945 N THR A 66 22.155 0.717 -26.417 1.00 0.00 N ATOM 946 CA THR A 66 21.433 2.023 -26.459 1.00 0.00 C ATOM 947 C THR A 66 22.042 2.893 -27.563 1.00 0.00 C ATOM 948 O THR A 66 21.355 3.367 -28.445 1.00 0.00 O ATOM 949 CB THR A 66 21.554 2.736 -25.099 1.00 0.00 C ATOM 950 OG1 THR A 66 20.654 2.143 -24.176 1.00 0.00 O ATOM 951 CG2 THR A 66 21.209 4.217 -25.264 1.00 0.00 C ATOM 0 H THR A 66 23.037 0.721 -25.905 1.00 0.00 H new ATOM 0 HA THR A 66 20.377 1.851 -26.668 1.00 0.00 H new ATOM 0 HB THR A 66 22.575 2.641 -24.729 1.00 0.00 H new ATOM 0 HG1 THR A 66 20.730 2.594 -23.309 1.00 0.00 H new ATOM 0 HG21 THR A 66 21.295 4.720 -24.301 1.00 0.00 H new ATOM 0 HG22 THR A 66 21.897 4.674 -25.975 1.00 0.00 H new ATOM 0 HG23 THR A 66 20.188 4.314 -25.634 1.00 0.00 H new ATOM 959 N ASP A 67 23.329 3.098 -27.501 1.00 0.00 N ATOM 960 CA ASP A 67 24.047 3.935 -28.509 1.00 0.00 C ATOM 961 C ASP A 67 25.244 4.545 -27.795 1.00 0.00 C ATOM 962 O ASP A 67 26.390 4.305 -28.132 1.00 0.00 O ATOM 963 CB ASP A 67 23.140 5.058 -29.018 1.00 0.00 C ATOM 964 CG ASP A 67 22.571 4.675 -30.385 1.00 0.00 C ATOM 965 OD1 ASP A 67 22.597 3.499 -30.708 1.00 0.00 O ATOM 966 OD2 ASP A 67 22.118 5.566 -31.086 1.00 0.00 O ATOM 0 H ASP A 67 23.930 2.710 -26.774 1.00 0.00 H new ATOM 0 HA ASP A 67 24.349 3.330 -29.364 1.00 0.00 H new ATOM 0 HB2 ASP A 67 22.329 5.233 -28.311 1.00 0.00 H new ATOM 0 HB3 ASP A 67 23.703 5.988 -29.094 1.00 0.00 H new ATOM 971 N GLU A 68 24.964 5.289 -26.761 1.00 0.00 N ATOM 972 CA GLU A 68 26.041 5.901 -25.940 1.00 0.00 C ATOM 973 C GLU A 68 26.809 4.792 -25.217 1.00 0.00 C ATOM 974 O GLU A 68 27.757 5.048 -24.509 1.00 0.00 O ATOM 975 CB GLU A 68 25.395 6.805 -24.896 1.00 0.00 C ATOM 976 CG GLU A 68 24.722 7.988 -25.592 1.00 0.00 C ATOM 977 CD GLU A 68 25.730 8.680 -26.512 1.00 0.00 C ATOM 978 OE1 GLU A 68 26.916 8.575 -26.244 1.00 0.00 O ATOM 979 OE2 GLU A 68 25.299 9.303 -27.468 1.00 0.00 O ATOM 0 H GLU A 68 24.017 5.501 -26.447 1.00 0.00 H new ATOM 0 HA GLU A 68 26.719 6.471 -26.574 1.00 0.00 H new ATOM 0 HB2 GLU A 68 24.661 6.244 -24.318 1.00 0.00 H new ATOM 0 HB3 GLU A 68 26.148 7.163 -24.194 1.00 0.00 H new ATOM 0 HG2 GLU A 68 23.864 7.644 -26.169 1.00 0.00 H new ATOM 0 HG3 GLU A 68 24.346 8.693 -24.851 1.00 0.00 H new ATOM 986 N GLN A 69 26.394 3.567 -25.397 1.00 0.00 N ATOM 987 CA GLN A 69 27.060 2.410 -24.745 1.00 0.00 C ATOM 988 C GLN A 69 27.730 1.593 -25.829 1.00 0.00 C ATOM 989 O GLN A 69 28.781 1.032 -25.638 1.00 0.00 O ATOM 990 CB GLN A 69 26.056 1.560 -23.989 1.00 0.00 C ATOM 991 CG GLN A 69 24.692 2.252 -23.956 1.00 0.00 C ATOM 992 CD GLN A 69 24.804 3.622 -23.273 1.00 0.00 C ATOM 993 OE1 GLN A 69 23.861 4.389 -23.287 1.00 0.00 O ATOM 994 NE2 GLN A 69 25.913 3.975 -22.672 1.00 0.00 N ATOM 0 H GLN A 69 25.599 3.317 -25.985 1.00 0.00 H new ATOM 0 HA GLN A 69 27.795 2.764 -24.022 1.00 0.00 H new ATOM 0 HB2 GLN A 69 25.965 0.584 -24.465 1.00 0.00 H new ATOM 0 HB3 GLN A 69 26.408 1.387 -22.972 1.00 0.00 H new ATOM 0 HG2 GLN A 69 24.314 2.374 -24.971 1.00 0.00 H new ATOM 0 HG3 GLN A 69 23.974 1.630 -23.422 1.00 0.00 H new ATOM 0 HE21 GLN A 69 26.709 3.338 -22.655 1.00 0.00 H new ATOM 0 HE22 GLN A 69 25.980 4.887 -22.221 1.00 0.00 H new ATOM 1003 N ILE A 70 27.197 1.597 -27.018 1.00 0.00 N ATOM 1004 CA ILE A 70 27.935 0.900 -28.095 1.00 0.00 C ATOM 1005 C ILE A 70 29.308 1.579 -28.111 1.00 0.00 C ATOM 1006 O ILE A 70 30.294 1.055 -28.589 1.00 0.00 O ATOM 1007 CB ILE A 70 27.238 1.109 -29.440 1.00 0.00 C ATOM 1008 CG1 ILE A 70 25.849 0.470 -29.412 1.00 0.00 C ATOM 1009 CG2 ILE A 70 28.071 0.456 -30.540 1.00 0.00 C ATOM 1010 CD1 ILE A 70 25.988 -1.041 -29.238 1.00 0.00 C ATOM 0 H ILE A 70 26.315 2.036 -27.281 1.00 0.00 H new ATOM 0 HA ILE A 70 27.994 -0.176 -27.929 1.00 0.00 H new ATOM 0 HB ILE A 70 27.137 2.177 -29.633 1.00 0.00 H new ATOM 0 HG12 ILE A 70 25.261 0.888 -28.595 1.00 0.00 H new ATOM 0 HG13 ILE A 70 25.316 0.693 -30.336 1.00 0.00 H new ATOM 0 HG21 ILE A 70 27.580 0.601 -31.502 1.00 0.00 H new ATOM 0 HG22 ILE A 70 29.061 0.911 -30.565 1.00 0.00 H new ATOM 0 HG23 ILE A 70 28.167 -0.611 -30.339 1.00 0.00 H new ATOM 0 HD11 ILE A 70 24.998 -1.497 -29.218 1.00 0.00 H new ATOM 0 HD12 ILE A 70 26.560 -1.452 -30.070 1.00 0.00 H new ATOM 0 HD13 ILE A 70 26.505 -1.253 -28.302 1.00 0.00 H new ATOM 1022 N GLN A 71 29.333 2.771 -27.558 1.00 0.00 N ATOM 1023 CA GLN A 71 30.545 3.586 -27.460 1.00 0.00 C ATOM 1024 C GLN A 71 31.132 3.465 -26.052 1.00 0.00 C ATOM 1025 O GLN A 71 32.228 2.986 -25.851 1.00 0.00 O ATOM 1026 CB GLN A 71 30.096 5.022 -27.668 1.00 0.00 C ATOM 1027 CG GLN A 71 30.025 5.329 -29.165 1.00 0.00 C ATOM 1028 CD GLN A 71 30.846 6.580 -29.462 1.00 0.00 C ATOM 1029 OE1 GLN A 71 30.893 7.533 -28.575 1.00 0.00 O flip ATOM 1030 NE2 GLN A 71 31.449 6.693 -30.510 1.00 0.00 N flip ATOM 0 H GLN A 71 28.508 3.216 -27.156 1.00 0.00 H new ATOM 0 HA GLN A 71 31.295 3.272 -28.186 1.00 0.00 H new ATOM 0 HB2 GLN A 71 29.120 5.178 -27.208 1.00 0.00 H new ATOM 0 HB3 GLN A 71 30.791 5.705 -27.180 1.00 0.00 H new ATOM 0 HG2 GLN A 71 30.406 4.485 -29.740 1.00 0.00 H new ATOM 0 HG3 GLN A 71 28.989 5.479 -29.468 1.00 0.00 H new ATOM 0 HE21 GLN A 71 31.411 5.946 -31.203 1.00 0.00 H new ATOM 0 HE22 GLN A 71 31.993 7.535 -30.697 1.00 0.00 H new ATOM 1039 N ASP A 72 30.388 3.930 -25.089 1.00 0.00 N ATOM 1040 CA ASP A 72 30.827 3.893 -23.674 1.00 0.00 C ATOM 1041 C ASP A 72 31.256 2.481 -23.296 1.00 0.00 C ATOM 1042 O ASP A 72 32.281 2.293 -22.716 1.00 0.00 O ATOM 1043 CB ASP A 72 29.657 4.307 -22.787 1.00 0.00 C ATOM 1044 CG ASP A 72 29.571 5.834 -22.729 1.00 0.00 C ATOM 1045 OD1 ASP A 72 30.606 6.470 -22.849 1.00 0.00 O ATOM 1046 OD2 ASP A 72 28.474 6.340 -22.564 1.00 0.00 O ATOM 0 H ASP A 72 29.468 4.346 -25.232 1.00 0.00 H new ATOM 0 HA ASP A 72 31.669 4.572 -23.539 1.00 0.00 H new ATOM 0 HB2 ASP A 72 28.727 3.895 -23.179 1.00 0.00 H new ATOM 0 HB3 ASP A 72 29.787 3.902 -21.784 1.00 0.00 H new ATOM 1051 N VAL A 73 30.457 1.500 -23.603 1.00 0.00 N ATOM 1052 CA VAL A 73 30.803 0.091 -23.251 1.00 0.00 C ATOM 1053 C VAL A 73 32.190 -0.264 -23.813 1.00 0.00 C ATOM 1054 O VAL A 73 32.897 -1.097 -23.277 1.00 0.00 O ATOM 1055 CB VAL A 73 29.742 -0.849 -23.836 1.00 0.00 C ATOM 1056 CG1 VAL A 73 30.042 -1.145 -25.308 1.00 0.00 C ATOM 1057 CG2 VAL A 73 29.747 -2.157 -23.060 1.00 0.00 C ATOM 0 H VAL A 73 29.567 1.613 -24.089 1.00 0.00 H new ATOM 0 HA VAL A 73 30.827 -0.019 -22.167 1.00 0.00 H new ATOM 0 HB VAL A 73 28.767 -0.367 -23.760 1.00 0.00 H new ATOM 0 HG11 VAL A 73 29.279 -1.813 -25.707 1.00 0.00 H new ATOM 0 HG12 VAL A 73 30.041 -0.214 -25.874 1.00 0.00 H new ATOM 0 HG13 VAL A 73 31.020 -1.619 -25.392 1.00 0.00 H new ATOM 0 HG21 VAL A 73 28.994 -2.828 -23.473 1.00 0.00 H new ATOM 0 HG22 VAL A 73 30.730 -2.622 -23.138 1.00 0.00 H new ATOM 0 HG23 VAL A 73 29.521 -1.959 -22.012 1.00 0.00 H new ATOM 1067 N ALA A 74 32.592 0.371 -24.870 1.00 0.00 N ATOM 1068 CA ALA A 74 33.945 0.082 -25.429 1.00 0.00 C ATOM 1069 C ALA A 74 34.957 0.876 -24.605 1.00 0.00 C ATOM 1070 O ALA A 74 35.733 0.334 -23.858 1.00 0.00 O ATOM 1071 CB ALA A 74 34.007 0.518 -26.895 1.00 0.00 C ATOM 0 H ALA A 74 32.051 1.074 -25.373 1.00 0.00 H new ATOM 0 HA ALA A 74 34.163 -0.985 -25.382 1.00 0.00 H new ATOM 0 HB1 ALA A 74 34.997 0.304 -27.297 1.00 0.00 H new ATOM 0 HB2 ALA A 74 33.257 -0.027 -27.469 1.00 0.00 H new ATOM 0 HB3 ALA A 74 33.810 1.588 -26.965 1.00 0.00 H new ATOM 1077 N ALA A 75 34.920 2.166 -24.679 1.00 0.00 N ATOM 1078 CA ALA A 75 35.849 2.957 -23.833 1.00 0.00 C ATOM 1079 C ALA A 75 35.721 2.430 -22.392 1.00 0.00 C ATOM 1080 O ALA A 75 36.612 2.546 -21.574 1.00 0.00 O ATOM 1081 CB ALA A 75 35.424 4.427 -23.893 1.00 0.00 C ATOM 0 H ALA A 75 34.297 2.706 -25.279 1.00 0.00 H new ATOM 0 HA ALA A 75 36.880 2.868 -24.175 1.00 0.00 H new ATOM 0 HB1 ALA A 75 36.095 5.025 -23.277 1.00 0.00 H new ATOM 0 HB2 ALA A 75 35.469 4.777 -24.924 1.00 0.00 H new ATOM 0 HB3 ALA A 75 34.404 4.526 -23.521 1.00 0.00 H new ATOM 1087 N TYR A 76 34.591 1.835 -22.113 1.00 0.00 N ATOM 1088 CA TYR A 76 34.285 1.262 -20.770 1.00 0.00 C ATOM 1089 C TYR A 76 35.244 0.133 -20.454 1.00 0.00 C ATOM 1090 O TYR A 76 35.794 0.061 -19.382 1.00 0.00 O ATOM 1091 CB TYR A 76 32.858 0.713 -20.817 1.00 0.00 C ATOM 1092 CG TYR A 76 32.577 -0.177 -19.647 1.00 0.00 C ATOM 1093 CD1 TYR A 76 32.147 0.386 -18.482 1.00 0.00 C ATOM 1094 CD2 TYR A 76 32.730 -1.551 -19.739 1.00 0.00 C ATOM 1095 CE1 TYR A 76 31.860 -0.400 -17.380 1.00 0.00 C ATOM 1096 CE2 TYR A 76 32.445 -2.359 -18.634 1.00 0.00 C ATOM 1097 CZ TYR A 76 32.007 -1.778 -17.447 1.00 0.00 C ATOM 1098 OH TYR A 76 31.715 -2.563 -16.350 1.00 0.00 O ATOM 0 H TYR A 76 33.838 1.719 -22.791 1.00 0.00 H new ATOM 0 HA TYR A 76 34.386 2.028 -20.001 1.00 0.00 H new ATOM 0 HB2 TYR A 76 32.148 1.540 -20.826 1.00 0.00 H new ATOM 0 HB3 TYR A 76 32.711 0.157 -21.743 1.00 0.00 H new ATOM 0 HD1 TYR A 76 32.029 1.458 -18.419 1.00 0.00 H new ATOM 0 HD2 TYR A 76 33.069 -1.997 -20.662 1.00 0.00 H new ATOM 0 HE1 TYR A 76 31.520 0.061 -16.464 1.00 0.00 H new ATOM 0 HE2 TYR A 76 32.564 -3.430 -18.701 1.00 0.00 H new ATOM 0 HH TYR A 76 32.539 -2.969 -16.009 1.00 0.00 H new ATOM 1108 N VAL A 77 35.435 -0.759 -21.373 1.00 0.00 N ATOM 1109 CA VAL A 77 36.362 -1.884 -21.120 1.00 0.00 C ATOM 1110 C VAL A 77 37.773 -1.327 -20.970 1.00 0.00 C ATOM 1111 O VAL A 77 38.619 -1.910 -20.322 1.00 0.00 O ATOM 1112 CB VAL A 77 36.305 -2.856 -22.296 1.00 0.00 C ATOM 1113 CG1 VAL A 77 36.243 -2.073 -23.584 1.00 0.00 C ATOM 1114 CG2 VAL A 77 37.551 -3.751 -22.321 1.00 0.00 C ATOM 0 H VAL A 77 34.989 -0.758 -22.290 1.00 0.00 H new ATOM 0 HA VAL A 77 36.079 -2.412 -20.210 1.00 0.00 H new ATOM 0 HB VAL A 77 35.420 -3.483 -22.187 1.00 0.00 H new ATOM 0 HG11 VAL A 77 36.202 -2.762 -24.427 1.00 0.00 H new ATOM 0 HG12 VAL A 77 35.352 -1.445 -23.585 1.00 0.00 H new ATOM 0 HG13 VAL A 77 37.130 -1.445 -23.671 1.00 0.00 H new ATOM 0 HG21 VAL A 77 37.490 -4.436 -23.167 1.00 0.00 H new ATOM 0 HG22 VAL A 77 38.442 -3.131 -22.420 1.00 0.00 H new ATOM 0 HG23 VAL A 77 37.607 -4.322 -21.395 1.00 0.00 H new ATOM 1124 N LEU A 78 38.027 -0.194 -21.559 1.00 0.00 N ATOM 1125 CA LEU A 78 39.386 0.406 -21.441 1.00 0.00 C ATOM 1126 C LEU A 78 39.525 1.057 -20.060 1.00 0.00 C ATOM 1127 O LEU A 78 40.593 1.472 -19.657 1.00 0.00 O ATOM 1128 CB LEU A 78 39.585 1.466 -22.531 1.00 0.00 C ATOM 1129 CG LEU A 78 38.819 1.079 -23.807 1.00 0.00 C ATOM 1130 CD1 LEU A 78 39.289 1.966 -24.962 1.00 0.00 C ATOM 1131 CD2 LEU A 78 39.087 -0.388 -24.162 1.00 0.00 C ATOM 0 H LEU A 78 37.359 0.341 -22.114 1.00 0.00 H new ATOM 0 HA LEU A 78 40.140 -0.372 -21.562 1.00 0.00 H new ATOM 0 HB2 LEU A 78 39.238 2.435 -22.172 1.00 0.00 H new ATOM 0 HB3 LEU A 78 40.647 1.571 -22.755 1.00 0.00 H new ATOM 0 HG LEU A 78 37.751 1.216 -23.636 1.00 0.00 H new ATOM 0 HD11 LEU A 78 38.750 1.697 -25.870 1.00 0.00 H new ATOM 0 HD12 LEU A 78 39.094 3.011 -24.721 1.00 0.00 H new ATOM 0 HD13 LEU A 78 40.358 1.823 -25.119 1.00 0.00 H new ATOM 0 HD21 LEU A 78 38.539 -0.649 -25.067 1.00 0.00 H new ATOM 0 HD22 LEU A 78 40.154 -0.533 -24.330 1.00 0.00 H new ATOM 0 HD23 LEU A 78 38.759 -1.027 -23.342 1.00 0.00 H new ATOM 1143 N ASP A 79 38.440 1.159 -19.343 1.00 0.00 N ATOM 1144 CA ASP A 79 38.458 1.784 -18.010 1.00 0.00 C ATOM 1145 C ASP A 79 38.489 0.696 -16.940 1.00 0.00 C ATOM 1146 O ASP A 79 39.205 0.774 -15.962 1.00 0.00 O ATOM 1147 CB ASP A 79 37.166 2.581 -17.862 1.00 0.00 C ATOM 1148 CG ASP A 79 37.435 3.865 -17.075 1.00 0.00 C ATOM 1149 OD1 ASP A 79 38.060 3.778 -16.031 1.00 0.00 O ATOM 1150 OD2 ASP A 79 37.009 4.915 -17.530 1.00 0.00 O ATOM 0 H ASP A 79 37.524 0.824 -19.641 1.00 0.00 H new ATOM 0 HA ASP A 79 39.333 2.425 -17.898 1.00 0.00 H new ATOM 0 HB2 ASP A 79 36.764 2.824 -18.845 1.00 0.00 H new ATOM 0 HB3 ASP A 79 36.414 1.980 -17.350 1.00 0.00 H new ATOM 1155 N GLN A 80 37.687 -0.311 -17.129 1.00 0.00 N ATOM 1156 CA GLN A 80 37.601 -1.426 -16.155 1.00 0.00 C ATOM 1157 C GLN A 80 38.915 -2.198 -16.112 1.00 0.00 C ATOM 1158 O GLN A 80 39.414 -2.536 -15.057 1.00 0.00 O ATOM 1159 CB GLN A 80 36.493 -2.374 -16.604 1.00 0.00 C ATOM 1160 CG GLN A 80 35.213 -1.586 -16.863 1.00 0.00 C ATOM 1161 CD GLN A 80 34.342 -1.609 -15.606 1.00 0.00 C ATOM 1162 OE1 GLN A 80 34.067 -2.660 -15.063 1.00 0.00 O ATOM 1163 NE2 GLN A 80 33.895 -0.486 -15.114 1.00 0.00 N ATOM 0 H GLN A 80 37.074 -0.408 -17.938 1.00 0.00 H new ATOM 0 HA GLN A 80 37.393 -1.022 -15.164 1.00 0.00 H new ATOM 0 HB2 GLN A 80 36.797 -2.900 -17.509 1.00 0.00 H new ATOM 0 HB3 GLN A 80 36.317 -3.131 -15.839 1.00 0.00 H new ATOM 0 HG2 GLN A 80 35.454 -0.558 -17.134 1.00 0.00 H new ATOM 0 HG3 GLN A 80 34.670 -2.018 -17.704 1.00 0.00 H new ATOM 0 HE21 GLN A 80 34.125 0.397 -15.569 1.00 0.00 H new ATOM 0 HE22 GLN A 80 33.316 -0.492 -14.275 1.00 0.00 H new ATOM 1172 N ALA A 81 39.475 -2.492 -17.248 1.00 0.00 N ATOM 1173 CA ALA A 81 40.752 -3.258 -17.260 1.00 0.00 C ATOM 1174 C ALA A 81 41.869 -2.384 -16.701 1.00 0.00 C ATOM 1175 O ALA A 81 42.962 -2.845 -16.441 1.00 0.00 O ATOM 1176 CB ALA A 81 41.090 -3.666 -18.694 1.00 0.00 C ATOM 0 H ALA A 81 39.108 -2.238 -18.165 1.00 0.00 H new ATOM 0 HA ALA A 81 40.647 -4.153 -16.646 1.00 0.00 H new ATOM 0 HB1 ALA A 81 42.025 -4.227 -18.702 1.00 0.00 H new ATOM 0 HB2 ALA A 81 40.290 -4.289 -19.093 1.00 0.00 H new ATOM 0 HB3 ALA A 81 41.197 -2.774 -19.311 1.00 0.00 H new ATOM 1182 N ALA A 82 41.610 -1.119 -16.537 1.00 0.00 N ATOM 1183 CA ALA A 82 42.653 -0.210 -16.023 1.00 0.00 C ATOM 1184 C ALA A 82 42.621 -0.147 -14.493 1.00 0.00 C ATOM 1185 O ALA A 82 43.319 0.649 -13.897 1.00 0.00 O ATOM 1186 CB ALA A 82 42.422 1.192 -16.591 1.00 0.00 C ATOM 0 H ALA A 82 40.713 -0.678 -16.740 1.00 0.00 H new ATOM 0 HA ALA A 82 43.627 -0.589 -16.333 1.00 0.00 H new ATOM 0 HB1 ALA A 82 43.190 1.868 -16.215 1.00 0.00 H new ATOM 0 HB2 ALA A 82 42.472 1.156 -17.679 1.00 0.00 H new ATOM 0 HB3 ALA A 82 41.440 1.552 -16.284 1.00 0.00 H new ATOM 1192 N LYS A 83 41.830 -0.957 -13.831 1.00 0.00 N ATOM 1193 CA LYS A 83 41.817 -0.865 -12.341 1.00 0.00 C ATOM 1194 C LYS A 83 40.945 -1.942 -11.689 1.00 0.00 C ATOM 1195 O LYS A 83 40.175 -1.653 -10.793 1.00 0.00 O ATOM 1196 CB LYS A 83 41.278 0.501 -11.933 1.00 0.00 C ATOM 1197 CG LYS A 83 39.836 0.645 -12.428 1.00 0.00 C ATOM 1198 CD LYS A 83 39.565 2.105 -12.796 1.00 0.00 C ATOM 1199 CE LYS A 83 39.704 2.980 -11.548 1.00 0.00 C ATOM 1200 NZ LYS A 83 39.501 4.409 -11.919 1.00 0.00 N ATOM 0 H LYS A 83 41.212 -1.656 -14.243 1.00 0.00 H new ATOM 0 HA LYS A 83 42.842 -1.012 -12.000 1.00 0.00 H new ATOM 0 HB2 LYS A 83 41.315 0.610 -10.849 1.00 0.00 H new ATOM 0 HB3 LYS A 83 41.900 1.291 -12.355 1.00 0.00 H new ATOM 0 HG2 LYS A 83 39.672 0.004 -13.294 1.00 0.00 H new ATOM 0 HG3 LYS A 83 39.141 0.319 -11.654 1.00 0.00 H new ATOM 0 HD2 LYS A 83 40.266 2.434 -13.564 1.00 0.00 H new ATOM 0 HD3 LYS A 83 38.564 2.206 -13.214 1.00 0.00 H new ATOM 0 HE2 LYS A 83 38.973 2.680 -10.797 1.00 0.00 H new ATOM 0 HE3 LYS A 83 40.690 2.845 -11.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 39.595 5.004 -11.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 40.215 4.690 -12.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 38.551 4.531 -12.324 1.00 0.00 H new ATOM 1214 N GLY A 84 41.060 -3.174 -12.086 1.00 0.00 N ATOM 1215 CA GLY A 84 40.236 -4.218 -11.426 1.00 0.00 C ATOM 1216 C GLY A 84 38.896 -4.343 -12.134 1.00 0.00 C ATOM 1217 O GLY A 84 37.888 -3.868 -11.663 1.00 0.00 O ATOM 0 H GLY A 84 41.679 -3.501 -12.828 1.00 0.00 H new ATOM 0 HA2 GLY A 84 40.759 -5.174 -11.447 1.00 0.00 H new ATOM 0 HA3 GLY A 84 40.081 -3.963 -10.378 1.00 0.00 H new ATOM 1221 N TRP A 85 38.902 -4.981 -13.264 1.00 0.00 N ATOM 1222 CA TRP A 85 37.652 -5.185 -14.062 1.00 0.00 C ATOM 1223 C TRP A 85 36.463 -5.507 -13.141 1.00 0.00 C ATOM 1224 O TRP A 85 36.115 -6.654 -12.942 1.00 0.00 O ATOM 1225 CB TRP A 85 37.850 -6.363 -15.019 1.00 0.00 C ATOM 1226 CG TRP A 85 37.791 -5.884 -16.428 1.00 0.00 C ATOM 1227 CD1 TRP A 85 38.811 -5.913 -17.313 1.00 0.00 C ATOM 1228 CD2 TRP A 85 36.661 -5.313 -17.125 1.00 0.00 C ATOM 1229 NE1 TRP A 85 38.367 -5.388 -18.515 1.00 0.00 N ATOM 1230 CE2 TRP A 85 37.048 -5.003 -18.444 1.00 0.00 C ATOM 1231 CE3 TRP A 85 35.351 -5.035 -16.737 1.00 0.00 C ATOM 1232 CZ2 TRP A 85 36.156 -4.433 -19.347 1.00 0.00 C ATOM 1233 CZ3 TRP A 85 34.452 -4.457 -17.647 1.00 0.00 C ATOM 1234 CH2 TRP A 85 34.850 -4.157 -18.947 1.00 0.00 C ATOM 0 H TRP A 85 39.740 -5.383 -13.685 1.00 0.00 H new ATOM 0 HA TRP A 85 37.444 -4.268 -14.613 1.00 0.00 H new ATOM 0 HB2 TRP A 85 38.811 -6.841 -14.828 1.00 0.00 H new ATOM 0 HB3 TRP A 85 37.080 -7.115 -14.848 1.00 0.00 H new ATOM 0 HD1 TRP A 85 39.806 -6.284 -17.116 1.00 0.00 H new ATOM 0 HE1 TRP A 85 38.946 -5.298 -19.350 1.00 0.00 H new ATOM 0 HE3 TRP A 85 35.027 -5.265 -15.733 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 36.474 -4.205 -20.354 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 33.440 -4.243 -17.335 1.00 0.00 H new ATOM 0 HH2 TRP A 85 34.151 -3.713 -19.641 1.00 0.00 H new ATOM 1245 N ALA A 86 35.834 -4.507 -12.591 1.00 0.00 N ATOM 1246 CA ALA A 86 34.666 -4.750 -11.695 1.00 0.00 C ATOM 1247 C ALA A 86 35.001 -5.870 -10.711 1.00 0.00 C ATOM 1248 O ALA A 86 34.131 -6.547 -10.200 1.00 0.00 O ATOM 1249 CB ALA A 86 33.452 -5.154 -12.535 1.00 0.00 C ATOM 0 H ALA A 86 36.079 -3.526 -12.723 1.00 0.00 H new ATOM 0 HA ALA A 86 34.438 -3.838 -11.143 1.00 0.00 H new ATOM 0 HB1 ALA A 86 32.599 -5.331 -11.880 1.00 0.00 H new ATOM 0 HB2 ALA A 86 33.212 -4.354 -13.235 1.00 0.00 H new ATOM 0 HB3 ALA A 86 33.680 -6.065 -13.089 1.00 0.00 H new