USER MOD reduce.3.24.130724 H: found=0, std=0, add=513, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 508 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 Single : A 1 GLY N :NH3+ -108:sc= 0.0466 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc=0.000416 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 24:sc= 0.108 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 166:sc= -0.241 (180deg=-0.529) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.116 USER MOD Single : A 27 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 HIS :FLIP no HE2:sc= -0.934 F(o=-1.8!,f=-0.93) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 HIS :FLIP no HD1:sc= -0.0243 F(o=-1.6!,f=-0.024) USER MOD Single : A 48 HIS : no HD1:sc=-2.84e-05 X(o=-2.8e-05,f=-0.12) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= -0.0177 USER MOD Single : A 66 SER OG : rot 2:sc= 0.904 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 18.284 -15.927 -3.331 1.00 0.00 N ATOM 2 CA GLY A 1 16.990 -15.287 -3.178 1.00 0.00 C ATOM 3 C GLY A 1 16.038 -16.103 -2.327 1.00 0.00 C ATOM 4 O GLY A 1 16.180 -17.321 -2.217 1.00 0.00 O ATOM 0 H1 GLY A 1 18.995 -15.410 -2.775 1.00 0.00 H new ATOM 0 H2 GLY A 1 18.228 -16.909 -2.994 1.00 0.00 H new ATOM 0 H3 GLY A 1 18.558 -15.921 -4.334 1.00 0.00 H new ATOM 0 HA2 GLY A 1 17.125 -14.304 -2.726 1.00 0.00 H new ATOM 0 HA3 GLY A 1 16.548 -15.128 -4.162 1.00 0.00 H new ATOM 8 N SER A 2 15.064 -15.430 -1.722 1.00 0.00 N ATOM 9 CA SER A 2 14.087 -16.100 -0.871 1.00 0.00 C ATOM 10 C SER A 2 12.850 -16.495 -1.672 1.00 0.00 C ATOM 11 O SER A 2 12.751 -16.209 -2.865 1.00 0.00 O ATOM 12 CB SER A 2 13.685 -15.192 0.293 1.00 0.00 C ATOM 13 OG SER A 2 13.240 -15.953 1.402 1.00 0.00 O ATOM 0 H SER A 2 14.930 -14.422 -1.805 1.00 0.00 H new ATOM 0 HA SER A 2 14.547 -17.005 -0.475 1.00 0.00 H new ATOM 0 HB2 SER A 2 14.534 -14.576 0.588 1.00 0.00 H new ATOM 0 HB3 SER A 2 12.895 -14.513 -0.027 1.00 0.00 H new ATOM 0 HG SER A 2 12.991 -15.350 2.133 1.00 0.00 H new ATOM 19 N SER A 3 11.908 -17.156 -1.007 1.00 0.00 N ATOM 20 CA SER A 3 10.678 -17.595 -1.656 1.00 0.00 C ATOM 21 C SER A 3 9.468 -17.324 -0.768 1.00 0.00 C ATOM 22 O SER A 3 9.464 -17.661 0.415 1.00 0.00 O ATOM 23 CB SER A 3 10.757 -19.086 -1.989 1.00 0.00 C ATOM 24 OG SER A 3 9.505 -19.575 -2.440 1.00 0.00 O ATOM 0 H SER A 3 11.973 -17.399 -0.019 1.00 0.00 H new ATOM 0 HA SER A 3 10.562 -17.029 -2.580 1.00 0.00 H new ATOM 0 HB2 SER A 3 11.513 -19.251 -2.757 1.00 0.00 H new ATOM 0 HB3 SER A 3 11.072 -19.643 -1.106 1.00 0.00 H new ATOM 0 HG SER A 3 9.582 -20.530 -2.648 1.00 0.00 H new ATOM 30 N GLY A 4 8.441 -16.711 -1.349 1.00 0.00 N ATOM 31 CA GLY A 4 7.238 -16.404 -0.597 1.00 0.00 C ATOM 32 C GLY A 4 6.066 -17.279 -0.994 1.00 0.00 C ATOM 33 O GLY A 4 5.479 -17.096 -2.060 1.00 0.00 O ATOM 0 H GLY A 4 8.421 -16.422 -2.327 1.00 0.00 H new ATOM 0 HA2 GLY A 4 7.437 -16.530 0.467 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.974 -15.358 -0.751 1.00 0.00 H new ATOM 37 N SER A 5 5.726 -18.235 -0.136 1.00 0.00 N ATOM 38 CA SER A 5 4.620 -19.146 -0.405 1.00 0.00 C ATOM 39 C SER A 5 3.416 -18.391 -0.960 1.00 0.00 C ATOM 40 O SER A 5 2.919 -18.702 -2.043 1.00 0.00 O ATOM 41 CB SER A 5 4.224 -19.893 0.870 1.00 0.00 C ATOM 42 OG SER A 5 5.215 -20.836 1.238 1.00 0.00 O ATOM 0 H SER A 5 6.201 -18.399 0.752 1.00 0.00 H new ATOM 0 HA SER A 5 4.951 -19.867 -1.152 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.077 -19.180 1.682 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.273 -20.402 0.716 1.00 0.00 H new ATOM 0 HG SER A 5 4.939 -21.298 2.057 1.00 0.00 H new ATOM 48 N SER A 6 2.953 -17.396 -0.210 1.00 0.00 N ATOM 49 CA SER A 6 1.805 -16.597 -0.624 1.00 0.00 C ATOM 50 C SER A 6 2.099 -15.107 -0.475 1.00 0.00 C ATOM 51 O SER A 6 2.579 -14.658 0.565 1.00 0.00 O ATOM 52 CB SER A 6 0.573 -16.971 0.201 1.00 0.00 C ATOM 53 OG SER A 6 0.806 -16.774 1.585 1.00 0.00 O ATOM 0 H SER A 6 3.355 -17.124 0.687 1.00 0.00 H new ATOM 0 HA SER A 6 1.606 -16.807 -1.675 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.278 -16.368 -0.117 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.312 -18.013 0.018 1.00 0.00 H new ATOM 0 HG SER A 6 1.514 -16.108 1.706 1.00 0.00 H new ATOM 59 N GLY A 7 1.805 -14.344 -1.524 1.00 0.00 N ATOM 60 CA GLY A 7 2.044 -12.913 -1.491 1.00 0.00 C ATOM 61 C GLY A 7 0.883 -12.146 -0.889 1.00 0.00 C ATOM 62 O GLY A 7 -0.074 -12.741 -0.392 1.00 0.00 O ATOM 0 H GLY A 7 1.406 -14.692 -2.396 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.947 -12.712 -0.914 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.226 -12.555 -2.504 1.00 0.00 H new ATOM 66 N LYS A 8 0.967 -10.821 -0.931 1.00 0.00 N ATOM 67 CA LYS A 8 -0.084 -9.969 -0.385 1.00 0.00 C ATOM 68 C LYS A 8 -0.150 -8.641 -1.132 1.00 0.00 C ATOM 69 O LYS A 8 0.834 -7.904 -1.194 1.00 0.00 O ATOM 70 CB LYS A 8 0.158 -9.718 1.105 1.00 0.00 C ATOM 71 CG LYS A 8 0.192 -10.988 1.938 1.00 0.00 C ATOM 72 CD LYS A 8 -0.070 -10.698 3.406 1.00 0.00 C ATOM 73 CE LYS A 8 1.197 -10.254 4.122 1.00 0.00 C ATOM 74 NZ LYS A 8 1.148 -10.562 5.578 1.00 0.00 N ATOM 0 H LYS A 8 1.752 -10.313 -1.338 1.00 0.00 H new ATOM 0 HA LYS A 8 -1.037 -10.483 -0.510 1.00 0.00 H new ATOM 0 HB2 LYS A 8 1.103 -9.188 1.227 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -0.626 -9.064 1.487 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -0.555 -11.689 1.565 1.00 0.00 H new ATOM 0 HG3 LYS A 8 1.164 -11.470 1.829 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -0.830 -9.922 3.494 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -0.468 -11.590 3.889 1.00 0.00 H new ATOM 0 HE2 LYS A 8 2.059 -10.749 3.675 1.00 0.00 H new ATOM 0 HE3 LYS A 8 1.337 -9.182 3.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 2.029 -10.244 6.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 0.340 -10.070 6.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 1.040 -11.588 5.712 1.00 0.00 H new ATOM 88 N ALA A 9 -1.316 -8.340 -1.694 1.00 0.00 N ATOM 89 CA ALA A 9 -1.510 -7.099 -2.433 1.00 0.00 C ATOM 90 C ALA A 9 -1.974 -5.978 -1.509 1.00 0.00 C ATOM 91 O ALA A 9 -2.704 -6.215 -0.547 1.00 0.00 O ATOM 92 CB ALA A 9 -2.512 -7.306 -3.559 1.00 0.00 C ATOM 0 H ALA A 9 -2.141 -8.939 -1.651 1.00 0.00 H new ATOM 0 HA ALA A 9 -0.552 -6.807 -2.864 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -2.647 -6.371 -4.102 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -2.141 -8.071 -4.241 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -3.467 -7.624 -3.142 1.00 0.00 H new ATOM 98 N ALA A 10 -1.544 -4.756 -1.807 1.00 0.00 N ATOM 99 CA ALA A 10 -1.917 -3.598 -1.004 1.00 0.00 C ATOM 100 C ALA A 10 -2.286 -2.412 -1.889 1.00 0.00 C ATOM 101 O ALA A 10 -1.497 -1.985 -2.732 1.00 0.00 O ATOM 102 CB ALA A 10 -0.783 -3.223 -0.061 1.00 0.00 C ATOM 0 H ALA A 10 -0.937 -4.543 -2.599 1.00 0.00 H new ATOM 0 HA ALA A 10 -2.794 -3.863 -0.413 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -1.075 -2.357 0.533 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -0.569 -4.061 0.602 1.00 0.00 H new ATOM 0 HB3 ALA A 10 0.108 -2.982 -0.641 1.00 0.00 H new ATOM 108 N ARG A 11 -3.490 -1.885 -1.691 1.00 0.00 N ATOM 109 CA ARG A 11 -3.964 -0.749 -2.473 1.00 0.00 C ATOM 110 C ARG A 11 -3.599 0.568 -1.795 1.00 0.00 C ATOM 111 O ARG A 11 -3.524 0.647 -0.568 1.00 0.00 O ATOM 112 CB ARG A 11 -5.479 -0.832 -2.666 1.00 0.00 C ATOM 113 CG ARG A 11 -6.046 0.286 -3.525 1.00 0.00 C ATOM 114 CD ARG A 11 -7.440 -0.052 -4.031 1.00 0.00 C ATOM 115 NE ARG A 11 -8.250 1.145 -4.244 1.00 0.00 N ATOM 116 CZ ARG A 11 -9.368 1.157 -4.961 1.00 0.00 C ATOM 117 NH1 ARG A 11 -9.806 0.043 -5.531 1.00 0.00 N ATOM 118 NH2 ARG A 11 -10.050 2.285 -5.109 1.00 0.00 N ATOM 0 H ARG A 11 -4.155 -2.226 -0.996 1.00 0.00 H new ATOM 0 HA ARG A 11 -3.478 -0.783 -3.448 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -5.727 -1.790 -3.122 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -5.963 -0.809 -1.690 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -6.082 1.209 -2.946 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -5.384 0.467 -4.372 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -7.362 -0.608 -4.965 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -7.938 -0.704 -3.313 1.00 0.00 H new ATOM 0 HE ARG A 11 -7.940 2.019 -3.819 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -9.284 -0.826 -5.419 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -10.665 0.055 -6.081 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -9.716 3.144 -4.672 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -10.908 2.293 -5.660 1.00 0.00 H new ATOM 132 N LEU A 12 -3.372 1.600 -2.601 1.00 0.00 N ATOM 133 CA LEU A 12 -3.014 2.914 -2.079 1.00 0.00 C ATOM 134 C LEU A 12 -4.259 3.697 -1.675 1.00 0.00 C ATOM 135 O LEU A 12 -5.125 3.978 -2.503 1.00 0.00 O ATOM 136 CB LEU A 12 -2.220 3.700 -3.124 1.00 0.00 C ATOM 137 CG LEU A 12 -0.720 3.407 -3.188 1.00 0.00 C ATOM 138 CD1 LEU A 12 -0.020 3.933 -1.944 1.00 0.00 C ATOM 139 CD2 LEU A 12 -0.476 1.914 -3.348 1.00 0.00 C ATOM 0 H LEU A 12 -3.430 1.552 -3.618 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.395 2.770 -1.194 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.651 3.500 -4.105 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.354 4.764 -2.928 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.305 3.918 -4.057 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.046 3.716 -2.007 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.167 5.011 -1.872 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.437 3.450 -1.060 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.596 1.723 -3.392 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.905 1.382 -2.499 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.944 1.565 -4.268 1.00 0.00 H new ATOM 151 N LYS A 13 -4.341 4.049 -0.396 1.00 0.00 N ATOM 152 CA LYS A 13 -5.478 4.803 0.119 1.00 0.00 C ATOM 153 C LYS A 13 -5.577 6.167 -0.557 1.00 0.00 C ATOM 154 O LYS A 13 -6.640 6.788 -0.570 1.00 0.00 O ATOM 155 CB LYS A 13 -5.354 4.980 1.634 1.00 0.00 C ATOM 156 CG LYS A 13 -5.652 3.715 2.420 1.00 0.00 C ATOM 157 CD LYS A 13 -6.118 4.032 3.832 1.00 0.00 C ATOM 158 CE LYS A 13 -4.943 4.306 4.758 1.00 0.00 C ATOM 159 NZ LYS A 13 -5.383 4.513 6.165 1.00 0.00 N ATOM 0 H LYS A 13 -3.633 3.824 0.303 1.00 0.00 H new ATOM 0 HA LYS A 13 -6.386 4.241 -0.102 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.344 5.316 1.871 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -6.035 5.767 1.956 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.419 3.137 1.904 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.758 3.093 2.462 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -6.777 4.900 3.813 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -6.701 3.197 4.220 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -4.244 3.471 4.715 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -4.406 5.189 4.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -4.553 4.697 6.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -6.030 5.326 6.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -5.873 3.661 6.504 1.00 0.00 H new ATOM 173 N PHE A 14 -4.463 6.627 -1.117 1.00 0.00 N ATOM 174 CA PHE A 14 -4.425 7.917 -1.795 1.00 0.00 C ATOM 175 C PHE A 14 -3.213 8.012 -2.717 1.00 0.00 C ATOM 176 O PHE A 14 -2.243 7.270 -2.562 1.00 0.00 O ATOM 177 CB PHE A 14 -4.392 9.054 -0.772 1.00 0.00 C ATOM 178 CG PHE A 14 -5.491 8.974 0.250 1.00 0.00 C ATOM 179 CD1 PHE A 14 -5.380 8.127 1.340 1.00 0.00 C ATOM 180 CD2 PHE A 14 -6.634 9.745 0.118 1.00 0.00 C ATOM 181 CE1 PHE A 14 -6.389 8.051 2.282 1.00 0.00 C ATOM 182 CE2 PHE A 14 -7.646 9.673 1.057 1.00 0.00 C ATOM 183 CZ PHE A 14 -7.524 8.824 2.139 1.00 0.00 C ATOM 0 H PHE A 14 -3.575 6.125 -1.115 1.00 0.00 H new ATOM 0 HA PHE A 14 -5.327 8.008 -2.400 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -3.430 9.044 -0.260 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -4.464 10.007 -1.297 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -4.495 7.519 1.455 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -6.736 10.409 -0.727 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -6.290 7.388 3.129 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -8.532 10.281 0.944 1.00 0.00 H new ATOM 0 HZ PHE A 14 -8.315 8.765 2.872 1.00 0.00 H new ATOM 193 N ASP A 15 -3.277 8.929 -3.676 1.00 0.00 N ATOM 194 CA ASP A 15 -2.185 9.122 -4.623 1.00 0.00 C ATOM 195 C ASP A 15 -0.918 9.578 -3.906 1.00 0.00 C ATOM 196 O ASP A 15 -0.854 10.691 -3.384 1.00 0.00 O ATOM 197 CB ASP A 15 -2.580 10.147 -5.687 1.00 0.00 C ATOM 198 CG ASP A 15 -3.373 11.303 -5.112 1.00 0.00 C ATOM 199 OD1 ASP A 15 -2.952 11.854 -4.073 1.00 0.00 O ATOM 200 OD2 ASP A 15 -4.416 11.658 -5.700 1.00 0.00 O ATOM 0 H ASP A 15 -4.073 9.550 -3.818 1.00 0.00 H new ATOM 0 HA ASP A 15 -1.983 8.166 -5.107 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -1.681 10.531 -6.168 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -3.170 9.655 -6.460 1.00 0.00 H new ATOM 205 N PHE A 16 0.088 8.710 -3.883 1.00 0.00 N ATOM 206 CA PHE A 16 1.353 9.022 -3.228 1.00 0.00 C ATOM 207 C PHE A 16 2.329 9.664 -4.209 1.00 0.00 C ATOM 208 O PHE A 16 2.715 9.054 -5.206 1.00 0.00 O ATOM 209 CB PHE A 16 1.970 7.755 -2.633 1.00 0.00 C ATOM 210 CG PHE A 16 3.347 7.966 -2.070 1.00 0.00 C ATOM 211 CD1 PHE A 16 4.444 8.072 -2.909 1.00 0.00 C ATOM 212 CD2 PHE A 16 3.544 8.058 -0.702 1.00 0.00 C ATOM 213 CE1 PHE A 16 5.712 8.266 -2.395 1.00 0.00 C ATOM 214 CE2 PHE A 16 4.809 8.253 -0.181 1.00 0.00 C ATOM 215 CZ PHE A 16 5.895 8.356 -1.029 1.00 0.00 C ATOM 0 H PHE A 16 0.052 7.785 -4.311 1.00 0.00 H new ATOM 0 HA PHE A 16 1.152 9.731 -2.425 1.00 0.00 H new ATOM 0 HB2 PHE A 16 1.318 7.378 -1.845 1.00 0.00 H new ATOM 0 HB3 PHE A 16 2.015 6.986 -3.404 1.00 0.00 H new ATOM 0 HD1 PHE A 16 4.307 8.002 -3.978 1.00 0.00 H new ATOM 0 HD2 PHE A 16 2.699 7.976 -0.035 1.00 0.00 H new ATOM 0 HE1 PHE A 16 6.559 8.347 -3.061 1.00 0.00 H new ATOM 0 HE2 PHE A 16 4.949 8.325 0.888 1.00 0.00 H new ATOM 0 HZ PHE A 16 6.885 8.507 -0.624 1.00 0.00 H new ATOM 225 N GLN A 17 2.724 10.900 -3.919 1.00 0.00 N ATOM 226 CA GLN A 17 3.654 11.625 -4.776 1.00 0.00 C ATOM 227 C GLN A 17 5.055 11.635 -4.173 1.00 0.00 C ATOM 228 O GLN A 17 5.270 12.170 -3.085 1.00 0.00 O ATOM 229 CB GLN A 17 3.169 13.060 -4.992 1.00 0.00 C ATOM 230 CG GLN A 17 1.825 13.148 -5.696 1.00 0.00 C ATOM 231 CD GLN A 17 1.255 14.553 -5.693 1.00 0.00 C ATOM 232 OE1 GLN A 17 0.539 14.942 -4.771 1.00 0.00 O ATOM 233 NE2 GLN A 17 1.572 15.322 -6.728 1.00 0.00 N ATOM 0 H GLN A 17 2.414 11.419 -3.098 1.00 0.00 H new ATOM 0 HA GLN A 17 3.696 11.114 -5.738 1.00 0.00 H new ATOM 0 HB2 GLN A 17 3.097 13.560 -4.026 1.00 0.00 H new ATOM 0 HB3 GLN A 17 3.912 13.602 -5.577 1.00 0.00 H new ATOM 0 HG2 GLN A 17 1.935 12.807 -6.725 1.00 0.00 H new ATOM 0 HG3 GLN A 17 1.120 12.473 -5.211 1.00 0.00 H new ATOM 0 HE21 GLN A 17 2.169 14.957 -7.470 1.00 0.00 H new ATOM 0 HE22 GLN A 17 1.218 16.277 -6.781 1.00 0.00 H new ATOM 242 N ALA A 18 6.005 11.041 -4.887 1.00 0.00 N ATOM 243 CA ALA A 18 7.386 10.983 -4.423 1.00 0.00 C ATOM 244 C ALA A 18 8.035 12.363 -4.456 1.00 0.00 C ATOM 245 O ALA A 18 8.030 13.036 -5.486 1.00 0.00 O ATOM 246 CB ALA A 18 8.186 10.002 -5.268 1.00 0.00 C ATOM 0 H ALA A 18 5.844 10.593 -5.789 1.00 0.00 H new ATOM 0 HA ALA A 18 7.381 10.637 -3.389 1.00 0.00 H new ATOM 0 HB1 ALA A 18 9.215 9.969 -4.910 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.743 9.009 -5.190 1.00 0.00 H new ATOM 0 HB3 ALA A 18 8.174 10.324 -6.309 1.00 0.00 H new ATOM 252 N GLN A 19 8.591 12.777 -3.322 1.00 0.00 N ATOM 253 CA GLN A 19 9.241 14.078 -3.221 1.00 0.00 C ATOM 254 C GLN A 19 10.710 13.984 -3.622 1.00 0.00 C ATOM 255 O GLN A 19 11.265 14.915 -4.205 1.00 0.00 O ATOM 256 CB GLN A 19 9.123 14.623 -1.797 1.00 0.00 C ATOM 257 CG GLN A 19 9.142 16.141 -1.723 1.00 0.00 C ATOM 258 CD GLN A 19 9.196 16.655 -0.297 1.00 0.00 C ATOM 259 OE1 GLN A 19 9.507 15.909 0.632 1.00 0.00 O ATOM 260 NE2 GLN A 19 8.894 17.935 -0.118 1.00 0.00 N ATOM 0 H GLN A 19 8.604 12.231 -2.461 1.00 0.00 H new ATOM 0 HA GLN A 19 8.738 14.761 -3.906 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.197 14.257 -1.353 1.00 0.00 H new ATOM 0 HB3 GLN A 19 9.943 14.228 -1.197 1.00 0.00 H new ATOM 0 HG2 GLN A 19 10.004 16.517 -2.274 1.00 0.00 H new ATOM 0 HG3 GLN A 19 8.253 16.536 -2.214 1.00 0.00 H new ATOM 0 HE21 GLN A 19 8.642 18.516 -0.917 1.00 0.00 H new ATOM 0 HE22 GLN A 19 8.914 18.338 0.819 1.00 0.00 H new ATOM 269 N SER A 20 11.334 12.854 -3.305 1.00 0.00 N ATOM 270 CA SER A 20 12.740 12.640 -3.628 1.00 0.00 C ATOM 271 C SER A 20 12.901 11.492 -4.619 1.00 0.00 C ATOM 272 O SER A 20 12.017 10.649 -4.782 1.00 0.00 O ATOM 273 CB SER A 20 13.538 12.346 -2.356 1.00 0.00 C ATOM 274 OG SER A 20 14.034 13.541 -1.778 1.00 0.00 O ATOM 0 H SER A 20 10.888 12.072 -2.825 1.00 0.00 H new ATOM 0 HA SER A 20 13.124 13.550 -4.088 1.00 0.00 H new ATOM 0 HB2 SER A 20 12.904 11.826 -1.637 1.00 0.00 H new ATOM 0 HB3 SER A 20 14.368 11.679 -2.590 1.00 0.00 H new ATOM 0 HG SER A 20 14.539 13.327 -0.966 1.00 0.00 H new ATOM 280 N PRO A 21 14.056 11.456 -5.300 1.00 0.00 N ATOM 281 CA PRO A 21 14.362 10.417 -6.287 1.00 0.00 C ATOM 282 C PRO A 21 14.586 9.053 -5.643 1.00 0.00 C ATOM 283 O PRO A 21 14.896 8.076 -6.324 1.00 0.00 O ATOM 284 CB PRO A 21 15.652 10.917 -6.942 1.00 0.00 C ATOM 285 CG PRO A 21 16.285 11.788 -5.912 1.00 0.00 C ATOM 286 CD PRO A 21 15.153 12.428 -5.157 1.00 0.00 C ATOM 0 HA PRO A 21 13.541 10.269 -6.989 1.00 0.00 H new ATOM 0 HB2 PRO A 21 16.305 10.088 -7.215 1.00 0.00 H new ATOM 0 HB3 PRO A 21 15.443 11.472 -7.856 1.00 0.00 H new ATOM 0 HG2 PRO A 21 16.919 11.205 -5.244 1.00 0.00 H new ATOM 0 HG3 PRO A 21 16.920 12.542 -6.376 1.00 0.00 H new ATOM 0 HD2 PRO A 21 15.410 12.593 -4.111 1.00 0.00 H new ATOM 0 HD3 PRO A 21 14.888 13.398 -5.577 1.00 0.00 H new ATOM 294 N LYS A 22 14.427 8.993 -4.325 1.00 0.00 N ATOM 295 CA LYS A 22 14.610 7.749 -3.587 1.00 0.00 C ATOM 296 C LYS A 22 13.269 7.077 -3.313 1.00 0.00 C ATOM 297 O LYS A 22 13.185 5.852 -3.226 1.00 0.00 O ATOM 298 CB LYS A 22 15.338 8.017 -2.268 1.00 0.00 C ATOM 299 CG LYS A 22 15.150 6.918 -1.236 1.00 0.00 C ATOM 300 CD LYS A 22 15.996 7.165 0.002 1.00 0.00 C ATOM 301 CE LYS A 22 15.367 6.545 1.240 1.00 0.00 C ATOM 302 NZ LYS A 22 14.412 7.477 1.903 1.00 0.00 N ATOM 0 H LYS A 22 14.171 9.793 -3.746 1.00 0.00 H new ATOM 0 HA LYS A 22 15.214 7.078 -4.198 1.00 0.00 H new ATOM 0 HB2 LYS A 22 16.403 8.138 -2.468 1.00 0.00 H new ATOM 0 HB3 LYS A 22 14.983 8.960 -1.852 1.00 0.00 H new ATOM 0 HG2 LYS A 22 14.099 6.859 -0.954 1.00 0.00 H new ATOM 0 HG3 LYS A 22 15.417 5.956 -1.674 1.00 0.00 H new ATOM 0 HD2 LYS A 22 16.992 6.749 -0.148 1.00 0.00 H new ATOM 0 HD3 LYS A 22 16.118 8.238 0.153 1.00 0.00 H new ATOM 0 HE2 LYS A 22 14.847 5.628 0.963 1.00 0.00 H new ATOM 0 HE3 LYS A 22 16.151 6.266 1.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 13.834 6.951 2.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 14.942 8.224 2.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 13.793 7.908 1.187 1.00 0.00 H new ATOM 316 N GLU A 23 12.223 7.886 -3.179 1.00 0.00 N ATOM 317 CA GLU A 23 10.886 7.367 -2.915 1.00 0.00 C ATOM 318 C GLU A 23 10.273 6.774 -4.180 1.00 0.00 C ATOM 319 O GLU A 23 10.880 6.806 -5.252 1.00 0.00 O ATOM 320 CB GLU A 23 9.983 8.476 -2.369 1.00 0.00 C ATOM 321 CG GLU A 23 10.007 8.590 -0.854 1.00 0.00 C ATOM 322 CD GLU A 23 9.286 9.825 -0.351 1.00 0.00 C ATOM 323 OE1 GLU A 23 9.436 10.896 -0.975 1.00 0.00 O ATOM 324 OE2 GLU A 23 8.571 9.720 0.668 1.00 0.00 O ATOM 0 H GLU A 23 12.275 8.902 -3.249 1.00 0.00 H new ATOM 0 HA GLU A 23 10.971 6.577 -2.169 1.00 0.00 H new ATOM 0 HB2 GLU A 23 10.290 9.428 -2.801 1.00 0.00 H new ATOM 0 HB3 GLU A 23 8.959 8.293 -2.695 1.00 0.00 H new ATOM 0 HG2 GLU A 23 9.547 7.703 -0.419 1.00 0.00 H new ATOM 0 HG3 GLU A 23 11.041 8.613 -0.511 1.00 0.00 H new ATOM 331 N LEU A 24 9.067 6.232 -4.048 1.00 0.00 N ATOM 332 CA LEU A 24 8.371 5.630 -5.180 1.00 0.00 C ATOM 333 C LEU A 24 7.051 6.346 -5.451 1.00 0.00 C ATOM 334 O LEU A 24 6.231 6.522 -4.549 1.00 0.00 O ATOM 335 CB LEU A 24 8.114 4.146 -4.915 1.00 0.00 C ATOM 336 CG LEU A 24 8.085 3.240 -6.147 1.00 0.00 C ATOM 337 CD1 LEU A 24 7.930 1.784 -5.735 1.00 0.00 C ATOM 338 CD2 LEU A 24 6.961 3.652 -7.086 1.00 0.00 C ATOM 0 H LEU A 24 8.551 6.197 -3.169 1.00 0.00 H new ATOM 0 HA LEU A 24 9.005 5.731 -6.061 1.00 0.00 H new ATOM 0 HB2 LEU A 24 8.885 3.780 -4.237 1.00 0.00 H new ATOM 0 HB3 LEU A 24 7.161 4.050 -4.395 1.00 0.00 H new ATOM 0 HG LEU A 24 9.032 3.348 -6.676 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.911 1.154 -6.624 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.769 1.494 -5.102 1.00 0.00 H new ATOM 0 HD13 LEU A 24 6.999 1.659 -5.183 1.00 0.00 H new ATOM 0 HD21 LEU A 24 6.956 2.996 -7.957 1.00 0.00 H new ATOM 0 HD22 LEU A 24 6.006 3.573 -6.567 1.00 0.00 H new ATOM 0 HD23 LEU A 24 7.115 4.682 -7.408 1.00 0.00 H new ATOM 350 N THR A 25 6.852 6.756 -6.700 1.00 0.00 N ATOM 351 CA THR A 25 5.632 7.452 -7.090 1.00 0.00 C ATOM 352 C THR A 25 4.500 6.467 -7.359 1.00 0.00 C ATOM 353 O THR A 25 4.563 5.674 -8.299 1.00 0.00 O ATOM 354 CB THR A 25 5.855 8.315 -8.346 1.00 0.00 C ATOM 355 OG1 THR A 25 6.939 9.225 -8.128 1.00 0.00 O ATOM 356 CG2 THR A 25 4.596 9.093 -8.698 1.00 0.00 C ATOM 0 H THR A 25 7.520 6.618 -7.458 1.00 0.00 H new ATOM 0 HA THR A 25 5.357 8.099 -6.257 1.00 0.00 H new ATOM 0 HB THR A 25 6.098 7.653 -9.177 1.00 0.00 H new ATOM 0 HG1 THR A 25 7.076 9.769 -8.931 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.777 9.695 -9.588 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.780 8.397 -8.891 1.00 0.00 H new ATOM 0 HG23 THR A 25 4.327 9.745 -7.867 1.00 0.00 H new ATOM 364 N LEU A 26 3.464 6.522 -6.528 1.00 0.00 N ATOM 365 CA LEU A 26 2.316 5.635 -6.677 1.00 0.00 C ATOM 366 C LEU A 26 1.016 6.431 -6.734 1.00 0.00 C ATOM 367 O LEU A 26 0.769 7.293 -5.891 1.00 0.00 O ATOM 368 CB LEU A 26 2.265 4.636 -5.520 1.00 0.00 C ATOM 369 CG LEU A 26 3.542 3.831 -5.271 1.00 0.00 C ATOM 370 CD1 LEU A 26 3.576 3.312 -3.842 1.00 0.00 C ATOM 371 CD2 LEU A 26 3.648 2.680 -6.261 1.00 0.00 C ATOM 0 H LEU A 26 3.396 7.172 -5.744 1.00 0.00 H new ATOM 0 HA LEU A 26 2.428 5.091 -7.615 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.018 5.179 -4.608 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.449 3.937 -5.705 1.00 0.00 H new ATOM 0 HG LEU A 26 4.398 4.490 -5.417 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.491 2.742 -3.684 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.548 4.153 -3.149 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.713 2.669 -3.668 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.562 2.118 -6.069 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.787 2.022 -6.147 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.671 3.075 -7.277 1.00 0.00 H new ATOM 383 N GLN A 27 0.189 6.134 -7.731 1.00 0.00 N ATOM 384 CA GLN A 27 -1.086 6.821 -7.895 1.00 0.00 C ATOM 385 C GLN A 27 -2.132 6.266 -6.934 1.00 0.00 C ATOM 386 O GLN A 27 -1.948 5.199 -6.348 1.00 0.00 O ATOM 387 CB GLN A 27 -1.579 6.688 -9.337 1.00 0.00 C ATOM 388 CG GLN A 27 -2.409 7.870 -9.808 1.00 0.00 C ATOM 389 CD GLN A 27 -2.846 7.738 -11.254 1.00 0.00 C ATOM 390 OE1 GLN A 27 -2.293 6.939 -12.011 1.00 0.00 O ATOM 391 NE2 GLN A 27 -3.844 8.522 -11.646 1.00 0.00 N ATOM 0 H GLN A 27 0.379 5.423 -8.437 1.00 0.00 H new ATOM 0 HA GLN A 27 -0.933 7.876 -7.666 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -0.719 6.573 -9.997 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -2.173 5.779 -9.426 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -3.290 7.966 -9.174 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -1.830 8.786 -9.690 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -4.273 9.170 -10.985 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -4.181 8.476 -12.608 1.00 0.00 H new ATOM 400 N LYS A 28 -3.230 6.997 -6.776 1.00 0.00 N ATOM 401 CA LYS A 28 -4.307 6.578 -5.887 1.00 0.00 C ATOM 402 C LYS A 28 -4.979 5.311 -6.406 1.00 0.00 C ATOM 403 O LYS A 28 -5.680 5.337 -7.416 1.00 0.00 O ATOM 404 CB LYS A 28 -5.343 7.696 -5.746 1.00 0.00 C ATOM 405 CG LYS A 28 -6.613 7.262 -5.034 1.00 0.00 C ATOM 406 CD LYS A 28 -7.781 8.173 -5.371 1.00 0.00 C ATOM 407 CE LYS A 28 -8.883 8.076 -4.328 1.00 0.00 C ATOM 408 NZ LYS A 28 -8.636 8.984 -3.174 1.00 0.00 N ATOM 0 H LYS A 28 -3.398 7.883 -7.252 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.875 6.365 -4.909 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -4.896 8.527 -5.200 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.601 8.068 -6.738 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.857 6.238 -5.315 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.447 7.266 -3.957 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -7.432 9.203 -5.438 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.181 7.907 -6.350 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.840 8.324 -4.787 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -8.957 7.048 -3.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.409 8.888 -2.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -7.735 8.731 -2.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -8.591 9.967 -3.509 1.00 0.00 H new ATOM 422 N GLY A 29 -4.761 4.202 -5.705 1.00 0.00 N ATOM 423 CA GLY A 29 -5.354 2.940 -6.110 1.00 0.00 C ATOM 424 C GLY A 29 -4.453 2.147 -7.035 1.00 0.00 C ATOM 425 O GLY A 29 -4.882 1.703 -8.101 1.00 0.00 O ATOM 0 H GLY A 29 -4.185 4.155 -4.865 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -5.574 2.345 -5.224 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -6.304 3.132 -6.609 1.00 0.00 H new ATOM 429 N ASP A 30 -3.200 1.969 -6.630 1.00 0.00 N ATOM 430 CA ASP A 30 -2.236 1.224 -7.430 1.00 0.00 C ATOM 431 C ASP A 30 -1.820 -0.062 -6.723 1.00 0.00 C ATOM 432 O ASP A 30 -1.563 -0.064 -5.518 1.00 0.00 O ATOM 433 CB ASP A 30 -1.004 2.085 -7.716 1.00 0.00 C ATOM 434 CG ASP A 30 -0.334 1.721 -9.026 1.00 0.00 C ATOM 435 OD1 ASP A 30 -1.023 1.174 -9.912 1.00 0.00 O ATOM 436 OD2 ASP A 30 0.879 1.982 -9.165 1.00 0.00 O ATOM 0 H ASP A 30 -2.829 2.331 -5.752 1.00 0.00 H new ATOM 0 HA ASP A 30 -2.712 0.960 -8.374 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.296 3.135 -7.740 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.288 1.972 -6.902 1.00 0.00 H new ATOM 441 N ILE A 31 -1.757 -1.153 -7.478 1.00 0.00 N ATOM 442 CA ILE A 31 -1.372 -2.445 -6.923 1.00 0.00 C ATOM 443 C ILE A 31 0.133 -2.662 -7.028 1.00 0.00 C ATOM 444 O ILE A 31 0.695 -2.670 -8.123 1.00 0.00 O ATOM 445 CB ILE A 31 -2.098 -3.602 -7.634 1.00 0.00 C ATOM 446 CG1 ILE A 31 -3.614 -3.434 -7.513 1.00 0.00 C ATOM 447 CG2 ILE A 31 -1.659 -4.939 -7.055 1.00 0.00 C ATOM 448 CD1 ILE A 31 -4.100 -3.352 -6.083 1.00 0.00 C ATOM 0 H ILE A 31 -1.968 -1.168 -8.476 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.662 -2.436 -5.872 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.833 -3.582 -8.691 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.915 -2.530 -8.043 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -4.105 -4.272 -8.008 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -2.181 -5.747 -7.568 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.584 -5.059 -7.190 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.897 -4.971 -5.992 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -5.183 -3.233 -6.073 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.830 -4.266 -5.554 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.637 -2.497 -5.590 1.00 0.00 H new ATOM 460 N VAL A 32 0.782 -2.841 -5.881 1.00 0.00 N ATOM 461 CA VAL A 32 2.222 -3.061 -5.844 1.00 0.00 C ATOM 462 C VAL A 32 2.562 -4.350 -5.103 1.00 0.00 C ATOM 463 O VAL A 32 1.729 -4.903 -4.384 1.00 0.00 O ATOM 464 CB VAL A 32 2.953 -1.886 -5.168 1.00 0.00 C ATOM 465 CG1 VAL A 32 2.611 -0.576 -5.861 1.00 0.00 C ATOM 466 CG2 VAL A 32 2.606 -1.823 -3.689 1.00 0.00 C ATOM 0 H VAL A 32 0.332 -2.838 -4.965 1.00 0.00 H new ATOM 0 HA VAL A 32 2.556 -3.140 -6.878 1.00 0.00 H new ATOM 0 HB VAL A 32 4.027 -2.048 -5.259 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.136 0.243 -5.370 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.915 -0.627 -6.906 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.536 -0.404 -5.804 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.131 -0.987 -3.227 1.00 0.00 H new ATOM 0 HG22 VAL A 32 1.531 -1.685 -3.573 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.907 -2.752 -3.205 1.00 0.00 H new ATOM 476 N TYR A 33 3.790 -4.823 -5.282 1.00 0.00 N ATOM 477 CA TYR A 33 4.240 -6.048 -4.632 1.00 0.00 C ATOM 478 C TYR A 33 5.426 -5.773 -3.712 1.00 0.00 C ATOM 479 O TYR A 33 6.522 -5.454 -4.173 1.00 0.00 O ATOM 480 CB TYR A 33 4.625 -7.094 -5.679 1.00 0.00 C ATOM 481 CG TYR A 33 3.664 -7.167 -6.845 1.00 0.00 C ATOM 482 CD1 TYR A 33 2.329 -7.501 -6.650 1.00 0.00 C ATOM 483 CD2 TYR A 33 4.090 -6.902 -8.140 1.00 0.00 C ATOM 484 CE1 TYR A 33 1.447 -7.569 -7.711 1.00 0.00 C ATOM 485 CE2 TYR A 33 3.215 -6.966 -9.207 1.00 0.00 C ATOM 486 CZ TYR A 33 1.895 -7.300 -8.988 1.00 0.00 C ATOM 487 OH TYR A 33 1.021 -7.367 -10.048 1.00 0.00 O ATOM 0 H TYR A 33 4.492 -4.377 -5.872 1.00 0.00 H new ATOM 0 HA TYR A 33 3.417 -6.432 -4.029 1.00 0.00 H new ATOM 0 HB2 TYR A 33 5.623 -6.869 -6.055 1.00 0.00 H new ATOM 0 HB3 TYR A 33 4.678 -8.072 -5.201 1.00 0.00 H new ATOM 0 HD1 TYR A 33 1.975 -7.711 -5.652 1.00 0.00 H new ATOM 0 HD2 TYR A 33 5.123 -6.641 -8.316 1.00 0.00 H new ATOM 0 HE1 TYR A 33 0.413 -7.831 -7.542 1.00 0.00 H new ATOM 0 HE2 TYR A 33 3.563 -6.756 -10.208 1.00 0.00 H new ATOM 0 HH TYR A 33 1.495 -7.148 -10.877 1.00 0.00 H new ATOM 497 N ILE A 34 5.197 -5.900 -2.410 1.00 0.00 N ATOM 498 CA ILE A 34 6.246 -5.667 -1.424 1.00 0.00 C ATOM 499 C ILE A 34 7.377 -6.678 -1.576 1.00 0.00 C ATOM 500 O ILE A 34 7.244 -7.838 -1.183 1.00 0.00 O ATOM 501 CB ILE A 34 5.695 -5.740 0.012 1.00 0.00 C ATOM 502 CG1 ILE A 34 4.844 -4.507 0.319 1.00 0.00 C ATOM 503 CG2 ILE A 34 6.836 -5.866 1.011 1.00 0.00 C ATOM 504 CD1 ILE A 34 3.381 -4.681 -0.026 1.00 0.00 C ATOM 0 H ILE A 34 4.295 -6.163 -2.013 1.00 0.00 H new ATOM 0 HA ILE A 34 6.632 -4.664 -1.605 1.00 0.00 H new ATOM 0 HB ILE A 34 5.063 -6.624 0.098 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.933 -4.269 1.379 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.240 -3.655 -0.234 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.431 -5.916 2.022 1.00 0.00 H new ATOM 0 HG22 ILE A 34 7.404 -6.773 0.802 1.00 0.00 H new ATOM 0 HG23 ILE A 34 7.492 -4.999 0.926 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.838 -3.768 0.218 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.281 -4.889 -1.091 1.00 0.00 H new ATOM 0 HD13 ILE A 34 2.969 -5.512 0.546 1.00 0.00 H new ATOM 516 N HIS A 35 8.491 -6.231 -2.146 1.00 0.00 N ATOM 517 CA HIS A 35 9.648 -7.097 -2.348 1.00 0.00 C ATOM 518 C HIS A 35 10.351 -7.380 -1.024 1.00 0.00 C ATOM 519 O HIS A 35 10.495 -8.534 -0.619 1.00 0.00 O ATOM 520 CB HIS A 35 10.626 -6.455 -3.332 1.00 0.00 C ATOM 521 CG HIS A 35 10.366 -6.823 -4.760 1.00 0.00 C ATOM 522 ND1 HIS A 35 10.932 -7.765 -5.549 1.00 0.00 N flip ATOM 523 CD2 HIS A 35 9.423 -6.187 -5.541 1.00 0.00 C flip ATOM 524 CE1 HIS A 35 10.327 -7.684 -6.779 1.00 0.00 C flip ATOM 525 NE2 HIS A 35 9.420 -6.724 -6.748 1.00 0.00 N flip ATOM 0 H HIS A 35 8.618 -5.274 -2.476 1.00 0.00 H new ATOM 0 HA HIS A 35 9.297 -8.042 -2.762 1.00 0.00 H new ATOM 0 HB2 HIS A 35 10.573 -5.371 -3.229 1.00 0.00 H new ATOM 0 HB3 HIS A 35 11.641 -6.751 -3.068 1.00 0.00 H new ATOM 0 HD1 HIS A 35 11.671 -8.415 -5.280 1.00 0.00 H new ATOM 0 HD2 HIS A 35 8.787 -5.377 -5.216 1.00 0.00 H new ATOM 0 HE1 HIS A 35 10.556 -8.304 -7.633 1.00 0.00 H new ATOM 533 N LYS A 36 10.790 -6.319 -0.354 1.00 0.00 N ATOM 534 CA LYS A 36 11.478 -6.452 0.924 1.00 0.00 C ATOM 535 C LYS A 36 10.993 -5.400 1.916 1.00 0.00 C ATOM 536 O LYS A 36 10.169 -4.551 1.579 1.00 0.00 O ATOM 537 CB LYS A 36 12.991 -6.324 0.728 1.00 0.00 C ATOM 538 CG LYS A 36 13.450 -4.902 0.457 1.00 0.00 C ATOM 539 CD LYS A 36 14.858 -4.662 0.977 1.00 0.00 C ATOM 540 CE LYS A 36 15.557 -3.556 0.202 1.00 0.00 C ATOM 541 NZ LYS A 36 17.038 -3.706 0.235 1.00 0.00 N ATOM 0 H LYS A 36 10.681 -5.357 -0.676 1.00 0.00 H new ATOM 0 HA LYS A 36 11.252 -7.439 1.328 1.00 0.00 H new ATOM 0 HB2 LYS A 36 13.497 -6.697 1.618 1.00 0.00 H new ATOM 0 HB3 LYS A 36 13.297 -6.960 -0.103 1.00 0.00 H new ATOM 0 HG2 LYS A 36 13.419 -4.707 -0.615 1.00 0.00 H new ATOM 0 HG3 LYS A 36 12.762 -4.200 0.929 1.00 0.00 H new ATOM 0 HD2 LYS A 36 14.817 -4.397 2.034 1.00 0.00 H new ATOM 0 HD3 LYS A 36 15.437 -5.583 0.901 1.00 0.00 H new ATOM 0 HE2 LYS A 36 15.214 -3.565 -0.833 1.00 0.00 H new ATOM 0 HE3 LYS A 36 15.281 -2.588 0.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 17.477 -2.933 -0.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 17.369 -3.672 1.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 17.304 -4.618 -0.188 1.00 0.00 H new ATOM 555 N GLU A 37 11.510 -5.462 3.139 1.00 0.00 N ATOM 556 CA GLU A 37 11.128 -4.513 4.178 1.00 0.00 C ATOM 557 C GLU A 37 12.266 -3.539 4.470 1.00 0.00 C ATOM 558 O GLU A 37 13.248 -3.890 5.124 1.00 0.00 O ATOM 559 CB GLU A 37 10.737 -5.255 5.458 1.00 0.00 C ATOM 560 CG GLU A 37 9.974 -4.394 6.452 1.00 0.00 C ATOM 561 CD GLU A 37 10.889 -3.676 7.425 1.00 0.00 C ATOM 562 OE1 GLU A 37 11.924 -3.139 6.978 1.00 0.00 O ATOM 563 OE2 GLU A 37 10.570 -3.652 8.632 1.00 0.00 O ATOM 0 H GLU A 37 12.194 -6.159 3.434 1.00 0.00 H new ATOM 0 HA GLU A 37 10.270 -3.945 3.818 1.00 0.00 H new ATOM 0 HB2 GLU A 37 10.127 -6.119 5.195 1.00 0.00 H new ATOM 0 HB3 GLU A 37 11.639 -5.636 5.937 1.00 0.00 H new ATOM 0 HG2 GLU A 37 9.379 -3.660 5.909 1.00 0.00 H new ATOM 0 HG3 GLU A 37 9.277 -5.020 7.009 1.00 0.00 H new ATOM 570 N VAL A 38 12.126 -2.311 3.979 1.00 0.00 N ATOM 571 CA VAL A 38 13.140 -1.285 4.186 1.00 0.00 C ATOM 572 C VAL A 38 13.253 -0.913 5.660 1.00 0.00 C ATOM 573 O VAL A 38 14.262 -1.194 6.307 1.00 0.00 O ATOM 574 CB VAL A 38 12.830 -0.016 3.370 1.00 0.00 C ATOM 575 CG1 VAL A 38 13.981 0.974 3.462 1.00 0.00 C ATOM 576 CG2 VAL A 38 12.538 -0.373 1.920 1.00 0.00 C ATOM 0 H VAL A 38 11.320 -2.003 3.435 1.00 0.00 H new ATOM 0 HA VAL A 38 14.087 -1.704 3.846 1.00 0.00 H new ATOM 0 HB VAL A 38 11.942 0.456 3.790 1.00 0.00 H new ATOM 0 HG11 VAL A 38 13.743 1.864 2.879 1.00 0.00 H new ATOM 0 HG12 VAL A 38 14.138 1.254 4.504 1.00 0.00 H new ATOM 0 HG13 VAL A 38 14.888 0.515 3.069 1.00 0.00 H new ATOM 0 HG21 VAL A 38 12.321 0.536 1.358 1.00 0.00 H new ATOM 0 HG22 VAL A 38 13.406 -0.870 1.486 1.00 0.00 H new ATOM 0 HG23 VAL A 38 11.678 -1.041 1.876 1.00 0.00 H new ATOM 586 N ASP A 39 12.210 -0.280 6.186 1.00 0.00 N ATOM 587 CA ASP A 39 12.190 0.130 7.585 1.00 0.00 C ATOM 588 C ASP A 39 10.929 -0.372 8.281 1.00 0.00 C ATOM 589 O ASP A 39 10.066 -0.990 7.656 1.00 0.00 O ATOM 590 CB ASP A 39 12.275 1.653 7.694 1.00 0.00 C ATOM 591 CG ASP A 39 13.703 2.158 7.644 1.00 0.00 C ATOM 592 OD1 ASP A 39 14.390 2.104 8.686 1.00 0.00 O ATOM 593 OD2 ASP A 39 14.136 2.608 6.562 1.00 0.00 O ATOM 0 H ASP A 39 11.367 -0.040 5.664 1.00 0.00 H new ATOM 0 HA ASP A 39 13.056 -0.311 8.079 1.00 0.00 H new ATOM 0 HB2 ASP A 39 11.704 2.105 6.883 1.00 0.00 H new ATOM 0 HB3 ASP A 39 11.812 1.974 8.627 1.00 0.00 H new ATOM 598 N LYS A 40 10.828 -0.104 9.578 1.00 0.00 N ATOM 599 CA LYS A 40 9.672 -0.528 10.360 1.00 0.00 C ATOM 600 C LYS A 40 8.406 0.177 9.885 1.00 0.00 C ATOM 601 O LYS A 40 7.296 -0.302 10.114 1.00 0.00 O ATOM 602 CB LYS A 40 9.903 -0.241 11.845 1.00 0.00 C ATOM 603 CG LYS A 40 11.055 -1.028 12.446 1.00 0.00 C ATOM 604 CD LYS A 40 10.588 -2.361 13.006 1.00 0.00 C ATOM 605 CE LYS A 40 11.545 -2.887 14.065 1.00 0.00 C ATOM 606 NZ LYS A 40 12.724 -3.564 13.459 1.00 0.00 N ATOM 0 H LYS A 40 11.533 0.405 10.111 1.00 0.00 H new ATOM 0 HA LYS A 40 9.543 -1.601 10.220 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.095 0.824 11.975 1.00 0.00 H new ATOM 0 HB3 LYS A 40 8.991 -0.470 12.397 1.00 0.00 H new ATOM 0 HG2 LYS A 40 11.816 -1.199 11.685 1.00 0.00 H new ATOM 0 HG3 LYS A 40 11.522 -0.443 13.238 1.00 0.00 H new ATOM 0 HD2 LYS A 40 9.593 -2.247 13.437 1.00 0.00 H new ATOM 0 HD3 LYS A 40 10.504 -3.087 12.197 1.00 0.00 H new ATOM 0 HE2 LYS A 40 11.883 -2.062 14.692 1.00 0.00 H new ATOM 0 HE3 LYS A 40 11.019 -3.586 14.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 13.352 -3.908 14.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 12.404 -4.367 12.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 13.241 -2.890 12.859 1.00 0.00 H new ATOM 620 N ASN A 41 8.581 1.315 9.223 1.00 0.00 N ATOM 621 CA ASN A 41 7.451 2.085 8.715 1.00 0.00 C ATOM 622 C ASN A 41 7.476 2.147 7.191 1.00 0.00 C ATOM 623 O ASN A 41 6.433 2.090 6.540 1.00 0.00 O ATOM 624 CB ASN A 41 7.470 3.501 9.294 1.00 0.00 C ATOM 625 CG ASN A 41 6.667 3.613 10.576 1.00 0.00 C ATOM 626 OD1 ASN A 41 7.223 3.593 11.674 1.00 0.00 O ATOM 627 ND2 ASN A 41 5.351 3.730 10.440 1.00 0.00 N ATOM 0 H ASN A 41 9.494 1.725 9.025 1.00 0.00 H new ATOM 0 HA ASN A 41 6.534 1.585 9.026 1.00 0.00 H new ATOM 0 HB2 ASN A 41 8.501 3.798 9.487 1.00 0.00 H new ATOM 0 HB3 ASN A 41 7.071 4.197 8.557 1.00 0.00 H new ATOM 0 HD21 ASN A 41 4.758 3.808 11.266 1.00 0.00 H new ATOM 0 HD22 ASN A 41 4.934 3.742 9.509 1.00 0.00 H new ATOM 634 N TRP A 42 8.674 2.264 6.629 1.00 0.00 N ATOM 635 CA TRP A 42 8.835 2.333 5.181 1.00 0.00 C ATOM 636 C TRP A 42 9.115 0.952 4.598 1.00 0.00 C ATOM 637 O TRP A 42 9.627 0.068 5.287 1.00 0.00 O ATOM 638 CB TRP A 42 9.969 3.293 4.818 1.00 0.00 C ATOM 639 CG TRP A 42 9.727 4.698 5.279 1.00 0.00 C ATOM 640 CD1 TRP A 42 9.949 5.200 6.530 1.00 0.00 C ATOM 641 CD2 TRP A 42 9.216 5.781 4.495 1.00 0.00 C ATOM 642 NE1 TRP A 42 9.606 6.530 6.570 1.00 0.00 N ATOM 643 CE2 TRP A 42 9.154 6.911 5.335 1.00 0.00 C ATOM 644 CE3 TRP A 42 8.805 5.908 3.165 1.00 0.00 C ATOM 645 CZ2 TRP A 42 8.698 8.148 4.886 1.00 0.00 C ATOM 646 CZ3 TRP A 42 8.353 7.136 2.722 1.00 0.00 C ATOM 647 CH2 TRP A 42 8.303 8.243 3.579 1.00 0.00 C ATOM 0 H TRP A 42 9.547 2.313 7.154 1.00 0.00 H new ATOM 0 HA TRP A 42 7.903 2.705 4.754 1.00 0.00 H new ATOM 0 HB2 TRP A 42 10.898 2.929 5.257 1.00 0.00 H new ATOM 0 HB3 TRP A 42 10.105 3.291 3.737 1.00 0.00 H new ATOM 0 HD1 TRP A 42 10.337 4.635 7.365 1.00 0.00 H new ATOM 0 HE1 TRP A 42 9.677 7.136 7.388 1.00 0.00 H new ATOM 0 HE3 TRP A 42 8.840 5.061 2.496 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 8.658 9.002 5.546 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 8.032 7.245 1.696 1.00 0.00 H new ATOM 0 HH2 TRP A 42 7.946 9.190 3.201 1.00 0.00 H new ATOM 658 N LEU A 43 8.778 0.772 3.326 1.00 0.00 N ATOM 659 CA LEU A 43 8.994 -0.502 2.650 1.00 0.00 C ATOM 660 C LEU A 43 9.477 -0.285 1.219 1.00 0.00 C ATOM 661 O LEU A 43 9.510 0.844 0.731 1.00 0.00 O ATOM 662 CB LEU A 43 7.704 -1.325 2.645 1.00 0.00 C ATOM 663 CG LEU A 43 6.901 -1.321 3.946 1.00 0.00 C ATOM 664 CD1 LEU A 43 5.450 -1.691 3.679 1.00 0.00 C ATOM 665 CD2 LEU A 43 7.519 -2.275 4.958 1.00 0.00 C ATOM 0 H LEU A 43 8.354 1.493 2.742 1.00 0.00 H new ATOM 0 HA LEU A 43 9.764 -1.048 3.195 1.00 0.00 H new ATOM 0 HB2 LEU A 43 7.063 -0.955 1.845 1.00 0.00 H new ATOM 0 HB3 LEU A 43 7.956 -2.357 2.400 1.00 0.00 H new ATOM 0 HG LEU A 43 6.927 -0.314 4.363 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.894 -1.683 4.617 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.011 -0.969 2.991 1.00 0.00 H new ATOM 0 HD13 LEU A 43 5.404 -2.687 3.238 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.934 -2.259 5.878 1.00 0.00 H new ATOM 0 HD22 LEU A 43 7.525 -3.285 4.549 1.00 0.00 H new ATOM 0 HD23 LEU A 43 8.542 -1.965 5.173 1.00 0.00 H new ATOM 677 N GLU A 44 9.847 -1.374 0.553 1.00 0.00 N ATOM 678 CA GLU A 44 10.327 -1.302 -0.822 1.00 0.00 C ATOM 679 C GLU A 44 9.274 -1.827 -1.794 1.00 0.00 C ATOM 680 O GLU A 44 8.408 -2.618 -1.421 1.00 0.00 O ATOM 681 CB GLU A 44 11.622 -2.101 -0.977 1.00 0.00 C ATOM 682 CG GLU A 44 12.282 -1.934 -2.335 1.00 0.00 C ATOM 683 CD GLU A 44 13.377 -2.953 -2.582 1.00 0.00 C ATOM 684 OE1 GLU A 44 13.054 -4.153 -2.705 1.00 0.00 O ATOM 685 OE2 GLU A 44 14.557 -2.551 -2.651 1.00 0.00 O ATOM 0 H GLU A 44 9.824 -2.316 0.943 1.00 0.00 H new ATOM 0 HA GLU A 44 10.524 -0.256 -1.056 1.00 0.00 H new ATOM 0 HB2 GLU A 44 12.323 -1.794 -0.201 1.00 0.00 H new ATOM 0 HB3 GLU A 44 11.409 -3.157 -0.814 1.00 0.00 H new ATOM 0 HG2 GLU A 44 11.526 -2.023 -3.115 1.00 0.00 H new ATOM 0 HG3 GLU A 44 12.701 -0.931 -2.410 1.00 0.00 H new ATOM 692 N GLY A 45 9.354 -1.379 -3.043 1.00 0.00 N ATOM 693 CA GLY A 45 8.402 -1.812 -4.049 1.00 0.00 C ATOM 694 C GLY A 45 8.974 -1.754 -5.452 1.00 0.00 C ATOM 695 O GLY A 45 10.042 -1.183 -5.670 1.00 0.00 O ATOM 0 H GLY A 45 10.061 -0.724 -3.376 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.086 -2.832 -3.831 1.00 0.00 H new ATOM 0 HA3 GLY A 45 7.512 -1.185 -3.997 1.00 0.00 H new ATOM 699 N GLU A 46 8.262 -2.348 -6.405 1.00 0.00 N ATOM 700 CA GLU A 46 8.708 -2.363 -7.793 1.00 0.00 C ATOM 701 C GLU A 46 7.517 -2.344 -8.747 1.00 0.00 C ATOM 702 O GLU A 46 6.655 -3.222 -8.699 1.00 0.00 O ATOM 703 CB GLU A 46 9.571 -3.598 -8.061 1.00 0.00 C ATOM 704 CG GLU A 46 9.769 -3.893 -9.539 1.00 0.00 C ATOM 705 CD GLU A 46 10.608 -5.132 -9.779 1.00 0.00 C ATOM 706 OE1 GLU A 46 11.727 -5.206 -9.229 1.00 0.00 O ATOM 707 OE2 GLU A 46 10.147 -6.028 -10.516 1.00 0.00 O ATOM 0 H GLU A 46 7.375 -2.824 -6.241 1.00 0.00 H new ATOM 0 HA GLU A 46 9.305 -1.467 -7.966 1.00 0.00 H new ATOM 0 HB2 GLU A 46 10.546 -3.458 -7.593 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.110 -4.463 -7.585 1.00 0.00 H new ATOM 0 HG2 GLU A 46 8.796 -4.020 -10.014 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.247 -3.037 -10.016 1.00 0.00 H new ATOM 714 N HIS A 47 7.476 -1.337 -9.613 1.00 0.00 N ATOM 715 CA HIS A 47 6.392 -1.203 -10.579 1.00 0.00 C ATOM 716 C HIS A 47 6.841 -1.650 -11.967 1.00 0.00 C ATOM 717 O HIS A 47 8.038 -1.722 -12.250 1.00 0.00 O ATOM 718 CB HIS A 47 5.903 0.245 -10.631 1.00 0.00 C ATOM 719 CG HIS A 47 4.587 0.408 -11.327 1.00 0.00 C ATOM 720 ND1 HIS A 47 3.539 -0.440 -11.449 1.00 0.00 N flip ATOM 721 CD2 HIS A 47 4.231 1.555 -12.005 1.00 0.00 C flip ATOM 722 CE1 HIS A 47 2.578 0.204 -12.190 1.00 0.00 C flip ATOM 723 NE2 HIS A 47 3.021 1.406 -12.513 1.00 0.00 N flip ATOM 0 H HIS A 47 8.181 -0.602 -9.666 1.00 0.00 H new ATOM 0 HA HIS A 47 5.572 -1.845 -10.258 1.00 0.00 H new ATOM 0 HB2 HIS A 47 5.817 0.627 -9.614 1.00 0.00 H new ATOM 0 HB3 HIS A 47 6.651 0.854 -11.138 1.00 0.00 H new ATOM 0 HD2 HIS A 47 4.846 2.437 -12.105 1.00 0.00 H new ATOM 0 HE1 HIS A 47 1.617 -0.206 -12.464 1.00 0.00 H new ATOM 0 HE2 HIS A 47 2.515 2.101 -13.062 1.00 0.00 H new ATOM 731 N HIS A 48 5.875 -1.951 -12.828 1.00 0.00 N ATOM 732 CA HIS A 48 6.172 -2.392 -14.187 1.00 0.00 C ATOM 733 C HIS A 48 7.419 -1.697 -14.723 1.00 0.00 C ATOM 734 O HIS A 48 8.233 -2.307 -15.415 1.00 0.00 O ATOM 735 CB HIS A 48 4.983 -2.114 -15.107 1.00 0.00 C ATOM 736 CG HIS A 48 3.867 -3.102 -14.959 1.00 0.00 C ATOM 737 ND1 HIS A 48 4.035 -4.459 -15.138 1.00 0.00 N ATOM 738 CD2 HIS A 48 2.562 -2.923 -14.646 1.00 0.00 C ATOM 739 CE1 HIS A 48 2.881 -5.072 -14.943 1.00 0.00 C ATOM 740 NE2 HIS A 48 1.971 -4.163 -14.643 1.00 0.00 N ATOM 0 H HIS A 48 4.880 -1.898 -12.610 1.00 0.00 H new ATOM 0 HA HIS A 48 6.359 -3.466 -14.162 1.00 0.00 H new ATOM 0 HB2 HIS A 48 4.601 -1.114 -14.902 1.00 0.00 H new ATOM 0 HB3 HIS A 48 5.326 -2.118 -16.142 1.00 0.00 H new ATOM 0 HD2 HIS A 48 2.076 -1.981 -14.438 1.00 0.00 H new ATOM 0 HE1 HIS A 48 2.711 -6.136 -15.016 1.00 0.00 H new ATOM 0 HE2 HIS A 48 0.989 -4.351 -14.442 1.00 0.00 H new ATOM 748 N GLY A 49 7.562 -0.415 -14.399 1.00 0.00 N ATOM 749 CA GLY A 49 8.712 0.342 -14.858 1.00 0.00 C ATOM 750 C GLY A 49 9.315 1.201 -13.764 1.00 0.00 C ATOM 751 O GLY A 49 10.529 1.399 -13.719 1.00 0.00 O ATOM 0 H GLY A 49 6.902 0.112 -13.827 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.469 -0.346 -15.234 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.415 0.977 -15.693 1.00 0.00 H new ATOM 755 N ARG A 50 8.465 1.712 -12.880 1.00 0.00 N ATOM 756 CA ARG A 50 8.920 2.557 -11.782 1.00 0.00 C ATOM 757 C ARG A 50 9.537 1.716 -10.668 1.00 0.00 C ATOM 758 O ARG A 50 9.184 0.549 -10.489 1.00 0.00 O ATOM 759 CB ARG A 50 7.757 3.382 -11.228 1.00 0.00 C ATOM 760 CG ARG A 50 8.196 4.530 -10.334 1.00 0.00 C ATOM 761 CD ARG A 50 8.812 5.661 -11.141 1.00 0.00 C ATOM 762 NE ARG A 50 7.813 6.639 -11.565 1.00 0.00 N ATOM 763 CZ ARG A 50 8.110 7.765 -12.203 1.00 0.00 C ATOM 764 NH1 ARG A 50 9.372 8.054 -12.491 1.00 0.00 N ATOM 765 NH2 ARG A 50 7.145 8.604 -12.556 1.00 0.00 N ATOM 0 H ARG A 50 7.457 1.556 -12.902 1.00 0.00 H new ATOM 0 HA ARG A 50 9.683 3.232 -12.169 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.177 3.782 -12.060 1.00 0.00 H new ATOM 0 HB3 ARG A 50 7.094 2.726 -10.664 1.00 0.00 H new ATOM 0 HG2 ARG A 50 7.339 4.905 -9.775 1.00 0.00 H new ATOM 0 HG3 ARG A 50 8.919 4.167 -9.603 1.00 0.00 H new ATOM 0 HD2 ARG A 50 9.575 6.159 -10.543 1.00 0.00 H new ATOM 0 HD3 ARG A 50 9.312 5.250 -12.018 1.00 0.00 H new ATOM 0 HE ARG A 50 6.833 6.446 -11.359 1.00 0.00 H new ATOM 0 HH11 ARG A 50 10.117 7.411 -12.222 1.00 0.00 H new ATOM 0 HH12 ARG A 50 9.598 8.919 -12.981 1.00 0.00 H new ATOM 0 HH21 ARG A 50 6.173 8.385 -12.337 1.00 0.00 H new ATOM 0 HH22 ARG A 50 7.375 9.469 -13.046 1.00 0.00 H new ATOM 779 N LEU A 51 10.459 2.314 -9.923 1.00 0.00 N ATOM 780 CA LEU A 51 11.126 1.620 -8.827 1.00 0.00 C ATOM 781 C LEU A 51 11.504 2.595 -7.716 1.00 0.00 C ATOM 782 O LEU A 51 12.030 3.676 -7.977 1.00 0.00 O ATOM 783 CB LEU A 51 12.376 0.901 -9.337 1.00 0.00 C ATOM 784 CG LEU A 51 12.927 -0.206 -8.438 1.00 0.00 C ATOM 785 CD1 LEU A 51 12.269 -1.537 -8.765 1.00 0.00 C ATOM 786 CD2 LEU A 51 14.439 -0.306 -8.582 1.00 0.00 C ATOM 0 H LEU A 51 10.762 3.279 -10.058 1.00 0.00 H new ATOM 0 HA LEU A 51 10.432 0.884 -8.420 1.00 0.00 H new ATOM 0 HB2 LEU A 51 12.151 0.471 -10.313 1.00 0.00 H new ATOM 0 HB3 LEU A 51 13.161 1.642 -9.489 1.00 0.00 H new ATOM 0 HG LEU A 51 12.696 0.044 -7.403 1.00 0.00 H new ATOM 0 HD11 LEU A 51 12.674 -2.313 -8.115 1.00 0.00 H new ATOM 0 HD12 LEU A 51 11.193 -1.459 -8.610 1.00 0.00 H new ATOM 0 HD13 LEU A 51 12.468 -1.795 -9.805 1.00 0.00 H new ATOM 0 HD21 LEU A 51 14.814 -1.099 -7.935 1.00 0.00 H new ATOM 0 HD22 LEU A 51 14.692 -0.533 -9.618 1.00 0.00 H new ATOM 0 HD23 LEU A 51 14.895 0.642 -8.296 1.00 0.00 H new ATOM 798 N GLY A 52 11.234 2.203 -6.474 1.00 0.00 N ATOM 799 CA GLY A 52 11.555 3.052 -5.342 1.00 0.00 C ATOM 800 C GLY A 52 11.001 2.513 -4.038 1.00 0.00 C ATOM 801 O GLY A 52 10.787 1.308 -3.898 1.00 0.00 O ATOM 0 H GLY A 52 10.799 1.313 -6.232 1.00 0.00 H new ATOM 0 HA2 GLY A 52 12.638 3.150 -5.261 1.00 0.00 H new ATOM 0 HA3 GLY A 52 11.157 4.052 -5.517 1.00 0.00 H new ATOM 805 N ILE A 53 10.770 3.406 -3.081 1.00 0.00 N ATOM 806 CA ILE A 53 10.238 3.012 -1.782 1.00 0.00 C ATOM 807 C ILE A 53 8.942 3.753 -1.472 1.00 0.00 C ATOM 808 O ILE A 53 8.625 4.762 -2.101 1.00 0.00 O ATOM 809 CB ILE A 53 11.252 3.281 -0.654 1.00 0.00 C ATOM 810 CG1 ILE A 53 11.575 4.774 -0.574 1.00 0.00 C ATOM 811 CG2 ILE A 53 12.520 2.471 -0.878 1.00 0.00 C ATOM 812 CD1 ILE A 53 12.379 5.153 0.650 1.00 0.00 C ATOM 0 H ILE A 53 10.943 4.406 -3.181 1.00 0.00 H new ATOM 0 HA ILE A 53 10.039 1.942 -1.833 1.00 0.00 H new ATOM 0 HB ILE A 53 10.809 2.973 0.293 1.00 0.00 H new ATOM 0 HG12 ILE A 53 12.128 5.066 -1.467 1.00 0.00 H new ATOM 0 HG13 ILE A 53 10.643 5.340 -0.576 1.00 0.00 H new ATOM 0 HG21 ILE A 53 13.227 2.672 -0.073 1.00 0.00 H new ATOM 0 HG22 ILE A 53 12.276 1.409 -0.890 1.00 0.00 H new ATOM 0 HG23 ILE A 53 12.967 2.751 -1.832 1.00 0.00 H new ATOM 0 HD11 ILE A 53 12.571 6.226 0.641 1.00 0.00 H new ATOM 0 HD12 ILE A 53 11.819 4.892 1.548 1.00 0.00 H new ATOM 0 HD13 ILE A 53 13.327 4.614 0.644 1.00 0.00 H new ATOM 824 N PHE A 54 8.196 3.245 -0.497 1.00 0.00 N ATOM 825 CA PHE A 54 6.933 3.858 -0.101 1.00 0.00 C ATOM 826 C PHE A 54 6.562 3.468 1.327 1.00 0.00 C ATOM 827 O PHE A 54 6.951 2.413 1.830 1.00 0.00 O ATOM 828 CB PHE A 54 5.817 3.442 -1.062 1.00 0.00 C ATOM 829 CG PHE A 54 5.572 1.960 -1.090 1.00 0.00 C ATOM 830 CD1 PHE A 54 6.514 1.099 -1.629 1.00 0.00 C ATOM 831 CD2 PHE A 54 4.399 1.429 -0.578 1.00 0.00 C ATOM 832 CE1 PHE A 54 6.291 -0.264 -1.657 1.00 0.00 C ATOM 833 CE2 PHE A 54 4.170 0.066 -0.603 1.00 0.00 C ATOM 834 CZ PHE A 54 5.118 -0.782 -1.142 1.00 0.00 C ATOM 0 H PHE A 54 8.444 2.410 0.034 1.00 0.00 H new ATOM 0 HA PHE A 54 7.055 4.940 -0.142 1.00 0.00 H new ATOM 0 HB2 PHE A 54 4.895 3.949 -0.777 1.00 0.00 H new ATOM 0 HB3 PHE A 54 6.069 3.780 -2.067 1.00 0.00 H new ATOM 0 HD1 PHE A 54 7.433 1.498 -2.032 1.00 0.00 H new ATOM 0 HD2 PHE A 54 3.655 2.088 -0.155 1.00 0.00 H new ATOM 0 HE1 PHE A 54 7.033 -0.924 -2.081 1.00 0.00 H new ATOM 0 HE2 PHE A 54 3.251 -0.335 -0.202 1.00 0.00 H new ATOM 0 HZ PHE A 54 4.943 -1.848 -1.161 1.00 0.00 H new ATOM 844 N PRO A 55 5.793 4.339 1.996 1.00 0.00 N ATOM 845 CA PRO A 55 5.353 4.108 3.376 1.00 0.00 C ATOM 846 C PRO A 55 4.333 2.979 3.477 1.00 0.00 C ATOM 847 O PRO A 55 3.585 2.719 2.535 1.00 0.00 O ATOM 848 CB PRO A 55 4.715 5.442 3.772 1.00 0.00 C ATOM 849 CG PRO A 55 4.284 6.053 2.484 1.00 0.00 C ATOM 850 CD PRO A 55 5.294 5.615 1.459 1.00 0.00 C ATOM 0 HA PRO A 55 6.177 3.805 4.022 1.00 0.00 H new ATOM 0 HB2 PRO A 55 3.868 5.292 4.442 1.00 0.00 H new ATOM 0 HB3 PRO A 55 5.426 6.081 4.295 1.00 0.00 H new ATOM 0 HG2 PRO A 55 3.282 5.722 2.211 1.00 0.00 H new ATOM 0 HG3 PRO A 55 4.251 7.140 2.559 1.00 0.00 H new ATOM 0 HD2 PRO A 55 4.840 5.487 0.476 1.00 0.00 H new ATOM 0 HD3 PRO A 55 6.096 6.345 1.347 1.00 0.00 H new ATOM 858 N ALA A 56 4.309 2.311 4.626 1.00 0.00 N ATOM 859 CA ALA A 56 3.379 1.211 4.851 1.00 0.00 C ATOM 860 C ALA A 56 1.990 1.731 5.205 1.00 0.00 C ATOM 861 O ALA A 56 1.002 1.372 4.566 1.00 0.00 O ATOM 862 CB ALA A 56 3.899 0.297 5.951 1.00 0.00 C ATOM 0 H ALA A 56 4.923 2.512 5.415 1.00 0.00 H new ATOM 0 HA ALA A 56 3.300 0.639 3.926 1.00 0.00 H new ATOM 0 HB1 ALA A 56 3.195 -0.520 6.109 1.00 0.00 H new ATOM 0 HB2 ALA A 56 4.867 -0.110 5.659 1.00 0.00 H new ATOM 0 HB3 ALA A 56 4.008 0.865 6.875 1.00 0.00 H new ATOM 868 N ASN A 57 1.922 2.577 6.227 1.00 0.00 N ATOM 869 CA ASN A 57 0.653 3.145 6.667 1.00 0.00 C ATOM 870 C ASN A 57 -0.195 3.571 5.472 1.00 0.00 C ATOM 871 O ASN A 57 -1.380 3.245 5.390 1.00 0.00 O ATOM 872 CB ASN A 57 0.897 4.343 7.586 1.00 0.00 C ATOM 873 CG ASN A 57 -0.214 5.372 7.503 1.00 0.00 C ATOM 874 OD1 ASN A 57 -1.321 5.146 7.993 1.00 0.00 O ATOM 875 ND2 ASN A 57 0.077 6.509 6.882 1.00 0.00 N ATOM 0 H ASN A 57 2.731 2.885 6.766 1.00 0.00 H new ATOM 0 HA ASN A 57 0.112 2.377 7.219 1.00 0.00 H new ATOM 0 HB2 ASN A 57 0.990 3.995 8.615 1.00 0.00 H new ATOM 0 HB3 ASN A 57 1.844 4.813 7.322 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -0.631 7.239 6.796 1.00 0.00 H new ATOM 0 HD22 ASN A 57 1.008 6.653 6.491 1.00 0.00 H new ATOM 882 N TYR A 58 0.419 4.300 4.548 1.00 0.00 N ATOM 883 CA TYR A 58 -0.279 4.773 3.358 1.00 0.00 C ATOM 884 C TYR A 58 -1.196 3.689 2.798 1.00 0.00 C ATOM 885 O TYR A 58 -2.289 3.976 2.309 1.00 0.00 O ATOM 886 CB TYR A 58 0.726 5.208 2.290 1.00 0.00 C ATOM 887 CG TYR A 58 1.113 6.666 2.381 1.00 0.00 C ATOM 888 CD1 TYR A 58 1.824 7.150 3.473 1.00 0.00 C ATOM 889 CD2 TYR A 58 0.768 7.561 1.376 1.00 0.00 C ATOM 890 CE1 TYR A 58 2.179 8.482 3.561 1.00 0.00 C ATOM 891 CE2 TYR A 58 1.120 8.895 1.455 1.00 0.00 C ATOM 892 CZ TYR A 58 1.825 9.350 2.549 1.00 0.00 C ATOM 893 OH TYR A 58 2.177 10.678 2.632 1.00 0.00 O ATOM 0 H TYR A 58 1.399 4.577 4.600 1.00 0.00 H new ATOM 0 HA TYR A 58 -0.890 5.630 3.643 1.00 0.00 H new ATOM 0 HB2 TYR A 58 1.624 4.596 2.377 1.00 0.00 H new ATOM 0 HB3 TYR A 58 0.303 5.014 1.304 1.00 0.00 H new ATOM 0 HD1 TYR A 58 2.104 6.473 4.266 1.00 0.00 H new ATOM 0 HD2 TYR A 58 0.215 7.208 0.518 1.00 0.00 H new ATOM 0 HE1 TYR A 58 2.730 8.842 4.417 1.00 0.00 H new ATOM 0 HE2 TYR A 58 0.844 9.577 0.664 1.00 0.00 H new ATOM 0 HH TYR A 58 1.853 11.153 1.838 1.00 0.00 H new ATOM 903 N VAL A 59 -0.743 2.442 2.875 1.00 0.00 N ATOM 904 CA VAL A 59 -1.521 1.314 2.378 1.00 0.00 C ATOM 905 C VAL A 59 -1.847 0.335 3.500 1.00 0.00 C ATOM 906 O VAL A 59 -1.049 0.138 4.416 1.00 0.00 O ATOM 907 CB VAL A 59 -0.774 0.565 1.259 1.00 0.00 C ATOM 908 CG1 VAL A 59 -0.677 1.429 0.011 1.00 0.00 C ATOM 909 CG2 VAL A 59 0.608 0.142 1.733 1.00 0.00 C ATOM 0 H VAL A 59 0.159 2.187 3.277 1.00 0.00 H new ATOM 0 HA VAL A 59 -2.448 1.722 1.975 1.00 0.00 H new ATOM 0 HB VAL A 59 -1.338 -0.333 1.007 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.146 0.883 -0.769 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.679 1.678 -0.338 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.136 2.346 0.245 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.122 -0.386 0.930 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.183 1.025 2.013 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.511 -0.516 2.596 1.00 0.00 H new ATOM 919 N GLU A 60 -3.024 -0.278 3.421 1.00 0.00 N ATOM 920 CA GLU A 60 -3.455 -1.237 4.431 1.00 0.00 C ATOM 921 C GLU A 60 -3.680 -2.614 3.813 1.00 0.00 C ATOM 922 O GLU A 60 -4.414 -2.755 2.834 1.00 0.00 O ATOM 923 CB GLU A 60 -4.739 -0.755 5.110 1.00 0.00 C ATOM 924 CG GLU A 60 -5.364 -1.787 6.034 1.00 0.00 C ATOM 925 CD GLU A 60 -6.351 -2.688 5.319 1.00 0.00 C ATOM 926 OE1 GLU A 60 -6.860 -2.284 4.253 1.00 0.00 O ATOM 927 OE2 GLU A 60 -6.615 -3.799 5.826 1.00 0.00 O ATOM 0 H GLU A 60 -3.696 -0.127 2.668 1.00 0.00 H new ATOM 0 HA GLU A 60 -2.666 -1.317 5.178 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.521 0.147 5.682 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.464 -0.480 4.344 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.577 -2.397 6.477 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -5.871 -1.276 6.853 1.00 0.00 H new ATOM 934 N VAL A 61 -3.043 -3.627 4.391 1.00 0.00 N ATOM 935 CA VAL A 61 -3.173 -4.993 3.898 1.00 0.00 C ATOM 936 C VAL A 61 -4.634 -5.425 3.854 1.00 0.00 C ATOM 937 O VAL A 61 -5.234 -5.730 4.886 1.00 0.00 O ATOM 938 CB VAL A 61 -2.383 -5.983 4.774 1.00 0.00 C ATOM 939 CG1 VAL A 61 -2.560 -7.406 4.266 1.00 0.00 C ATOM 940 CG2 VAL A 61 -0.911 -5.602 4.813 1.00 0.00 C ATOM 0 H VAL A 61 -2.432 -3.528 5.201 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.763 -5.005 2.888 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.775 -5.934 5.790 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.994 -8.091 4.898 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.616 -7.674 4.295 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.196 -7.474 3.241 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.368 -6.312 5.436 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.503 -5.621 3.802 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.805 -4.600 5.228 1.00 0.00 H new ATOM 950 N LEU A 62 -5.202 -5.449 2.654 1.00 0.00 N ATOM 951 CA LEU A 62 -6.595 -5.844 2.474 1.00 0.00 C ATOM 952 C LEU A 62 -6.706 -7.342 2.211 1.00 0.00 C ATOM 953 O LEU A 62 -5.701 -8.023 2.007 1.00 0.00 O ATOM 954 CB LEU A 62 -7.222 -5.063 1.318 1.00 0.00 C ATOM 955 CG LEU A 62 -6.889 -5.563 -0.088 1.00 0.00 C ATOM 956 CD1 LEU A 62 -5.389 -5.763 -0.242 1.00 0.00 C ATOM 957 CD2 LEU A 62 -7.635 -6.855 -0.386 1.00 0.00 C ATOM 0 H LEU A 62 -4.720 -5.200 1.791 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.134 -5.614 3.393 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -8.305 -5.079 1.440 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.907 -4.022 1.396 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.210 -4.809 -0.806 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -5.171 -6.119 -1.249 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.876 -4.816 -0.073 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.043 -6.497 0.485 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -7.386 -7.196 -1.391 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -7.346 -7.617 0.338 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -8.709 -6.679 -0.319 1.00 0.00 H new ATOM 969 N SER A 63 -7.935 -7.849 2.214 1.00 0.00 N ATOM 970 CA SER A 63 -8.178 -9.267 1.976 1.00 0.00 C ATOM 971 C SER A 63 -9.576 -9.491 1.408 1.00 0.00 C ATOM 972 O SER A 63 -10.391 -8.572 1.354 1.00 0.00 O ATOM 973 CB SER A 63 -8.010 -10.059 3.274 1.00 0.00 C ATOM 974 OG SER A 63 -7.890 -11.447 3.013 1.00 0.00 O ATOM 0 H SER A 63 -8.778 -7.299 2.379 1.00 0.00 H new ATOM 0 HA SER A 63 -7.448 -9.618 1.247 1.00 0.00 H new ATOM 0 HB2 SER A 63 -7.126 -9.708 3.806 1.00 0.00 H new ATOM 0 HB3 SER A 63 -8.865 -9.881 3.926 1.00 0.00 H new ATOM 0 HG SER A 63 -7.782 -11.931 3.858 1.00 0.00 H new ATOM 980 N GLY A 64 -9.845 -10.722 0.983 1.00 0.00 N ATOM 981 CA GLY A 64 -11.144 -11.046 0.423 1.00 0.00 C ATOM 982 C GLY A 64 -11.301 -10.554 -1.001 1.00 0.00 C ATOM 983 O GLY A 64 -10.771 -9.510 -1.382 1.00 0.00 O ATOM 0 H GLY A 64 -9.187 -11.500 1.017 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -11.288 -12.126 0.449 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -11.924 -10.606 1.044 1.00 0.00 H new ATOM 987 N PRO A 65 -12.044 -11.317 -1.817 1.00 0.00 N ATOM 988 CA PRO A 65 -12.285 -10.972 -3.221 1.00 0.00 C ATOM 989 C PRO A 65 -13.192 -9.756 -3.372 1.00 0.00 C ATOM 990 O PRO A 65 -13.538 -9.362 -4.486 1.00 0.00 O ATOM 991 CB PRO A 65 -12.970 -12.222 -3.780 1.00 0.00 C ATOM 992 CG PRO A 65 -13.608 -12.866 -2.598 1.00 0.00 C ATOM 993 CD PRO A 65 -12.706 -12.574 -1.431 1.00 0.00 C ATOM 0 HA PRO A 65 -11.364 -10.705 -3.739 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -13.710 -11.963 -4.537 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -12.250 -12.889 -4.254 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -14.608 -12.467 -2.428 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -13.715 -13.940 -2.749 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -13.270 -12.463 -0.505 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -11.985 -13.375 -1.271 1.00 0.00 H new ATOM 1001 N SER A 66 -13.574 -9.165 -2.245 1.00 0.00 N ATOM 1002 CA SER A 66 -14.444 -7.994 -2.252 1.00 0.00 C ATOM 1003 C SER A 66 -13.852 -6.883 -3.113 1.00 0.00 C ATOM 1004 O SER A 66 -12.780 -6.356 -2.816 1.00 0.00 O ATOM 1005 CB SER A 66 -14.664 -7.487 -0.825 1.00 0.00 C ATOM 1006 OG SER A 66 -13.515 -6.815 -0.340 1.00 0.00 O ATOM 0 H SER A 66 -13.295 -9.477 -1.315 1.00 0.00 H new ATOM 0 HA SER A 66 -15.404 -8.287 -2.677 1.00 0.00 H new ATOM 0 HB2 SER A 66 -15.520 -6.812 -0.803 1.00 0.00 H new ATOM 0 HB3 SER A 66 -14.902 -8.325 -0.170 1.00 0.00 H new ATOM 0 HG SER A 66 -12.830 -6.790 -1.041 1.00 0.00 H new ATOM 1012 N SER A 67 -14.559 -6.531 -4.182 1.00 0.00 N ATOM 1013 CA SER A 67 -14.103 -5.485 -5.090 1.00 0.00 C ATOM 1014 C SER A 67 -14.203 -4.112 -4.431 1.00 0.00 C ATOM 1015 O SER A 67 -14.824 -3.960 -3.380 1.00 0.00 O ATOM 1016 CB SER A 67 -14.925 -5.505 -6.380 1.00 0.00 C ATOM 1017 OG SER A 67 -14.829 -6.763 -7.027 1.00 0.00 O ATOM 0 H SER A 67 -15.450 -6.955 -4.441 1.00 0.00 H new ATOM 0 HA SER A 67 -13.058 -5.678 -5.331 1.00 0.00 H new ATOM 0 HB2 SER A 67 -15.969 -5.288 -6.153 1.00 0.00 H new ATOM 0 HB3 SER A 67 -14.575 -4.720 -7.050 1.00 0.00 H new ATOM 0 HG SER A 67 -15.364 -6.750 -7.848 1.00 0.00 H new ATOM 1023 N GLY A 68 -13.587 -3.115 -5.059 1.00 0.00 N ATOM 1024 CA GLY A 68 -13.618 -1.768 -4.520 1.00 0.00 C ATOM 1025 C GLY A 68 -12.434 -1.477 -3.619 1.00 0.00 C ATOM 1026 O GLY A 68 -12.498 -0.592 -2.766 1.00 0.00 O ATOM 0 H GLY A 68 -13.067 -3.216 -5.931 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -13.630 -1.051 -5.341 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -14.541 -1.626 -3.959 1.00 0.00 H new TER 1030 GLY A 68