USER MOD reduce.3.24.130724 H: found=0, std=0, add=532, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 532 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 46 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 48 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 40 GLN : amide:sc= -0.0559 X(o=-0.0022,f=0.017) USER MOD Set 2.2: A 51 TYR OH : rot -66:sc= 0.0537 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= -0.0336 X(o=-0.034,f=-0.16) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -47:sc= 0.0395 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -174:sc= 1.25 (180deg=1.08) USER MOD Single : A 58 HIS : no HD1:sc= -0.0504 X(o=-0.05,f=-0.23) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -10.992 -20.192 -5.795 1.00 0.00 N ATOM 2 CA ALA A 1 -11.022 -18.787 -5.315 1.00 0.00 C ATOM 3 C ALA A 1 -9.974 -18.525 -4.223 1.00 0.00 C ATOM 4 O ALA A 1 -9.143 -17.627 -4.381 1.00 0.00 O ATOM 5 CB ALA A 1 -12.436 -18.360 -4.874 1.00 0.00 C ATOM 0 H1 ALA A 1 -11.715 -20.323 -6.531 1.00 0.00 H new ATOM 0 H2 ALA A 1 -10.054 -20.404 -6.190 1.00 0.00 H new ATOM 0 H3 ALA A 1 -11.186 -20.834 -5.001 1.00 0.00 H new ATOM 0 HA ALA A 1 -10.751 -18.159 -6.164 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -12.413 -17.326 -4.530 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -13.122 -18.447 -5.717 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -12.774 -19.005 -4.063 1.00 0.00 H new ATOM 13 N GLY A 2 -9.989 -19.286 -3.117 1.00 0.00 N ATOM 14 CA GLY A 2 -9.123 -19.069 -1.944 1.00 0.00 C ATOM 15 C GLY A 2 -9.654 -17.975 -1.004 1.00 0.00 C ATOM 16 O GLY A 2 -10.632 -17.291 -1.319 1.00 0.00 O ATOM 0 H GLY A 2 -10.615 -20.085 -3.010 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -9.029 -20.003 -1.390 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -8.123 -18.797 -2.282 1.00 0.00 H new ATOM 20 N HIS A 3 -8.998 -17.787 0.151 1.00 0.00 N ATOM 21 CA HIS A 3 -9.368 -16.783 1.170 1.00 0.00 C ATOM 22 C HIS A 3 -8.275 -15.719 1.390 1.00 0.00 C ATOM 23 O HIS A 3 -7.891 -15.405 2.519 1.00 0.00 O ATOM 24 CB HIS A 3 -9.854 -17.484 2.456 1.00 0.00 C ATOM 25 CG HIS A 3 -10.562 -16.565 3.432 1.00 0.00 C ATOM 26 ND1 HIS A 3 -11.307 -15.439 3.115 1.00 0.00 N ATOM 27 CD2 HIS A 3 -10.602 -16.727 4.789 1.00 0.00 C ATOM 28 CE1 HIS A 3 -11.789 -14.927 4.266 1.00 0.00 C ATOM 29 NE2 HIS A 3 -11.371 -15.692 5.298 1.00 0.00 N ATOM 0 H HIS A 3 -8.179 -18.337 0.411 1.00 0.00 H new ATOM 0 HA HIS A 3 -10.211 -16.203 0.795 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -10.529 -18.295 2.182 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -8.998 -17.937 2.956 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -10.125 -17.512 5.357 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -12.409 -14.047 4.349 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -11.585 -15.535 6.283 1.00 0.00 H new ATOM 38 N MET A 4 -7.754 -15.177 0.288 1.00 0.00 N ATOM 39 CA MET A 4 -6.780 -14.076 0.279 1.00 0.00 C ATOM 40 C MET A 4 -7.448 -12.735 0.639 1.00 0.00 C ATOM 41 O MET A 4 -8.657 -12.564 0.446 1.00 0.00 O ATOM 42 CB MET A 4 -6.112 -14.003 -1.109 1.00 0.00 C ATOM 43 CG MET A 4 -4.692 -14.573 -1.052 1.00 0.00 C ATOM 44 SD MET A 4 -3.944 -14.887 -2.673 1.00 0.00 S ATOM 45 CE MET A 4 -2.227 -15.182 -2.164 1.00 0.00 C ATOM 0 H MET A 4 -8.002 -15.497 -0.648 1.00 0.00 H new ATOM 0 HA MET A 4 -6.020 -14.269 1.036 1.00 0.00 H new ATOM 0 HB2 MET A 4 -6.705 -14.560 -1.834 1.00 0.00 H new ATOM 0 HB3 MET A 4 -6.081 -12.968 -1.450 1.00 0.00 H new ATOM 0 HG2 MET A 4 -4.057 -13.879 -0.501 1.00 0.00 H new ATOM 0 HG3 MET A 4 -4.710 -15.505 -0.487 1.00 0.00 H new ATOM 0 HE1 MET A 4 -1.618 -15.393 -3.043 1.00 0.00 H new ATOM 0 HE2 MET A 4 -1.840 -14.297 -1.659 1.00 0.00 H new ATOM 0 HE3 MET A 4 -2.190 -16.033 -1.484 1.00 0.00 H new ATOM 55 N LYS A 5 -6.651 -11.779 1.139 1.00 0.00 N ATOM 56 CA LYS A 5 -7.076 -10.421 1.532 1.00 0.00 C ATOM 57 C LYS A 5 -6.067 -9.360 1.077 1.00 0.00 C ATOM 58 O LYS A 5 -5.058 -9.119 1.742 1.00 0.00 O ATOM 59 CB LYS A 5 -7.316 -10.323 3.051 1.00 0.00 C ATOM 60 CG LYS A 5 -8.391 -11.294 3.566 1.00 0.00 C ATOM 61 CD LYS A 5 -9.107 -10.720 4.792 1.00 0.00 C ATOM 62 CE LYS A 5 -10.087 -11.755 5.357 1.00 0.00 C ATOM 63 NZ LYS A 5 -11.148 -11.113 6.178 1.00 0.00 N ATOM 0 H LYS A 5 -5.654 -11.933 1.288 1.00 0.00 H new ATOM 0 HA LYS A 5 -8.021 -10.224 1.026 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.379 -10.521 3.572 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -7.610 -9.303 3.299 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -9.116 -11.492 2.776 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -7.931 -12.248 3.823 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -8.378 -10.444 5.553 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -9.642 -9.811 4.519 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -10.545 -12.308 4.537 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -9.543 -12.478 5.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -11.793 -11.842 6.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -10.712 -10.606 6.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -11.683 -10.441 5.591 1.00 0.00 H new ATOM 77 N GLU A 6 -6.319 -8.746 -0.074 1.00 0.00 N ATOM 78 CA GLU A 6 -5.524 -7.634 -0.613 1.00 0.00 C ATOM 79 C GLU A 6 -5.810 -6.300 0.107 1.00 0.00 C ATOM 80 O GLU A 6 -6.774 -6.170 0.868 1.00 0.00 O ATOM 81 CB GLU A 6 -5.790 -7.463 -2.119 1.00 0.00 C ATOM 82 CG GLU A 6 -5.628 -8.750 -2.945 1.00 0.00 C ATOM 83 CD GLU A 6 -6.984 -9.430 -3.239 1.00 0.00 C ATOM 84 OE1 GLU A 6 -7.693 -9.835 -2.285 1.00 0.00 O ATOM 85 OE2 GLU A 6 -7.350 -9.562 -4.432 1.00 0.00 O ATOM 0 H GLU A 6 -7.099 -9.009 -0.677 1.00 0.00 H new ATOM 0 HA GLU A 6 -4.478 -7.889 -0.444 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -6.803 -7.084 -2.255 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -5.111 -6.706 -2.512 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -5.130 -8.516 -3.886 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -4.984 -9.446 -2.408 1.00 0.00 H new ATOM 92 N PHE A 7 -4.985 -5.283 -0.157 1.00 0.00 N ATOM 93 CA PHE A 7 -5.173 -3.926 0.356 1.00 0.00 C ATOM 94 C PHE A 7 -6.272 -3.159 -0.404 1.00 0.00 C ATOM 95 O PHE A 7 -6.283 -3.120 -1.637 1.00 0.00 O ATOM 96 CB PHE A 7 -3.830 -3.180 0.318 1.00 0.00 C ATOM 97 CG PHE A 7 -2.970 -3.436 1.544 1.00 0.00 C ATOM 98 CD1 PHE A 7 -3.475 -3.120 2.820 1.00 0.00 C ATOM 99 CD2 PHE A 7 -1.677 -3.982 1.427 1.00 0.00 C ATOM 100 CE1 PHE A 7 -2.706 -3.371 3.967 1.00 0.00 C ATOM 101 CE2 PHE A 7 -0.909 -4.219 2.584 1.00 0.00 C ATOM 102 CZ PHE A 7 -1.421 -3.914 3.851 1.00 0.00 C ATOM 0 H PHE A 7 -4.156 -5.382 -0.742 1.00 0.00 H new ATOM 0 HA PHE A 7 -5.517 -3.992 1.388 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -3.280 -3.481 -0.573 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -4.018 -2.110 0.231 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -4.458 -2.683 2.916 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -1.275 -4.218 0.453 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -3.108 -3.144 4.944 1.00 0.00 H new ATOM 0 HE2 PHE A 7 0.082 -4.639 2.493 1.00 0.00 H new ATOM 0 HZ PHE A 7 -0.827 -4.097 4.735 1.00 0.00 H new ATOM 112 N ARG A 8 -7.196 -2.533 0.343 1.00 0.00 N ATOM 113 CA ARG A 8 -8.310 -1.709 -0.167 1.00 0.00 C ATOM 114 C ARG A 8 -8.003 -0.203 -0.145 1.00 0.00 C ATOM 115 O ARG A 8 -7.173 0.231 0.653 1.00 0.00 O ATOM 116 CB ARG A 8 -9.574 -1.998 0.668 1.00 0.00 C ATOM 117 CG ARG A 8 -10.414 -3.103 0.021 1.00 0.00 C ATOM 118 CD ARG A 8 -11.727 -3.279 0.789 1.00 0.00 C ATOM 119 NE ARG A 8 -12.579 -4.318 0.181 1.00 0.00 N ATOM 120 CZ ARG A 8 -13.733 -4.763 0.643 1.00 0.00 C ATOM 121 NH1 ARG A 8 -14.264 -4.297 1.740 1.00 0.00 N ATOM 122 NH2 ARG A 8 -14.386 -5.693 0.008 1.00 0.00 N ATOM 0 H ARG A 8 -7.189 -2.588 1.361 1.00 0.00 H new ATOM 0 HA ARG A 8 -8.466 -1.980 -1.211 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -9.288 -2.296 1.677 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -10.169 -1.090 0.761 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -10.622 -2.851 -1.019 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -9.857 -4.040 0.017 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -11.511 -3.545 1.824 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -12.266 -2.332 0.810 1.00 0.00 H new ATOM 0 HE ARG A 8 -12.242 -4.736 -0.686 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -13.786 -3.567 2.268 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -15.157 -4.663 2.070 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -14.007 -6.084 -0.854 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -15.277 -6.030 0.373 1.00 0.00 H new ATOM 136 N PRO A 9 -8.700 0.616 -0.956 1.00 0.00 N ATOM 137 CA PRO A 9 -8.528 2.067 -0.963 1.00 0.00 C ATOM 138 C PRO A 9 -9.062 2.698 0.333 1.00 0.00 C ATOM 139 O PRO A 9 -10.146 2.359 0.813 1.00 0.00 O ATOM 140 CB PRO A 9 -9.282 2.558 -2.201 1.00 0.00 C ATOM 141 CG PRO A 9 -10.393 1.524 -2.372 1.00 0.00 C ATOM 142 CD PRO A 9 -9.740 0.224 -1.903 1.00 0.00 C ATOM 0 HA PRO A 9 -7.477 2.354 -1.006 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -9.685 3.560 -2.055 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -8.634 2.600 -3.076 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -11.269 1.773 -1.773 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -10.724 1.457 -3.408 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -10.471 -0.432 -1.430 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -9.316 -0.325 -2.744 1.00 0.00 H new ATOM 150 N GLY A 10 -8.277 3.596 0.927 1.00 0.00 N ATOM 151 CA GLY A 10 -8.593 4.310 2.166 1.00 0.00 C ATOM 152 C GLY A 10 -8.233 3.535 3.440 1.00 0.00 C ATOM 153 O GLY A 10 -8.365 4.081 4.536 1.00 0.00 O ATOM 0 H GLY A 10 -7.368 3.857 0.545 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -8.063 5.262 2.170 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -9.659 4.538 2.180 1.00 0.00 H new ATOM 157 N ASP A 11 -7.792 2.275 3.325 1.00 0.00 N ATOM 158 CA ASP A 11 -7.396 1.445 4.467 1.00 0.00 C ATOM 159 C ASP A 11 -6.219 2.096 5.213 1.00 0.00 C ATOM 160 O ASP A 11 -5.219 2.483 4.598 1.00 0.00 O ATOM 161 CB ASP A 11 -7.037 0.022 3.995 1.00 0.00 C ATOM 162 CG ASP A 11 -7.366 -1.045 5.052 1.00 0.00 C ATOM 163 OD1 ASP A 11 -7.000 -0.864 6.236 1.00 0.00 O ATOM 164 OD2 ASP A 11 -8.003 -2.067 4.700 1.00 0.00 O ATOM 0 H ASP A 11 -7.700 1.800 2.427 1.00 0.00 H new ATOM 0 HA ASP A 11 -8.235 1.369 5.159 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -7.579 -0.201 3.076 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -5.974 -0.022 3.757 1.00 0.00 H new ATOM 169 N LYS A 12 -6.344 2.236 6.537 1.00 0.00 N ATOM 170 CA LYS A 12 -5.300 2.778 7.415 1.00 0.00 C ATOM 171 C LYS A 12 -4.154 1.772 7.530 1.00 0.00 C ATOM 172 O LYS A 12 -4.303 0.723 8.160 1.00 0.00 O ATOM 173 CB LYS A 12 -5.895 3.158 8.789 1.00 0.00 C ATOM 174 CG LYS A 12 -5.862 4.677 9.002 1.00 0.00 C ATOM 175 CD LYS A 12 -6.384 5.052 10.395 1.00 0.00 C ATOM 176 CE LYS A 12 -6.551 6.572 10.504 1.00 0.00 C ATOM 177 NZ LYS A 12 -6.928 6.985 11.882 1.00 0.00 N ATOM 0 H LYS A 12 -7.191 1.970 7.039 1.00 0.00 H new ATOM 0 HA LYS A 12 -4.893 3.693 6.985 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.922 2.800 8.856 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.333 2.664 9.582 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.842 5.042 8.882 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -6.467 5.167 8.240 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -7.339 4.559 10.579 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.691 4.699 11.159 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -5.620 7.062 10.219 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -7.315 6.906 9.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -7.032 8.019 11.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -7.829 6.537 12.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -6.187 6.688 12.548 1.00 0.00 H new ATOM 191 N VAL A 13 -3.014 2.078 6.915 1.00 0.00 N ATOM 192 CA VAL A 13 -1.813 1.228 6.903 1.00 0.00 C ATOM 193 C VAL A 13 -0.597 1.977 7.454 1.00 0.00 C ATOM 194 O VAL A 13 -0.573 3.206 7.489 1.00 0.00 O ATOM 195 CB VAL A 13 -1.547 0.646 5.497 1.00 0.00 C ATOM 196 CG1 VAL A 13 -2.701 -0.250 5.045 1.00 0.00 C ATOM 197 CG2 VAL A 13 -1.325 1.695 4.402 1.00 0.00 C ATOM 0 H VAL A 13 -2.891 2.947 6.395 1.00 0.00 H new ATOM 0 HA VAL A 13 -1.997 0.383 7.567 1.00 0.00 H new ATOM 0 HB VAL A 13 -0.621 0.083 5.615 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -2.487 -0.646 4.052 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -2.818 -1.075 5.747 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -3.622 0.332 5.013 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.146 1.195 3.450 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.209 2.327 4.319 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -0.462 2.310 4.657 1.00 0.00 H new ATOM 207 N VAL A 14 0.422 1.247 7.904 1.00 0.00 N ATOM 208 CA VAL A 14 1.704 1.799 8.372 1.00 0.00 C ATOM 209 C VAL A 14 2.743 1.696 7.260 1.00 0.00 C ATOM 210 O VAL A 14 2.911 0.640 6.652 1.00 0.00 O ATOM 211 CB VAL A 14 2.192 1.131 9.677 1.00 0.00 C ATOM 212 CG1 VAL A 14 2.108 -0.400 9.651 1.00 0.00 C ATOM 213 CG2 VAL A 14 3.628 1.538 10.049 1.00 0.00 C ATOM 0 H VAL A 14 0.384 0.229 7.957 1.00 0.00 H new ATOM 0 HA VAL A 14 1.552 2.851 8.615 1.00 0.00 H new ATOM 0 HB VAL A 14 1.502 1.500 10.436 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.467 -0.800 10.599 1.00 0.00 H new ATOM 0 HG12 VAL A 14 1.073 -0.705 9.497 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.725 -0.784 8.838 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.919 1.040 10.974 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.308 1.245 9.249 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.676 2.618 10.188 1.00 0.00 H new ATOM 223 N LEU A 15 3.437 2.804 6.991 1.00 0.00 N ATOM 224 CA LEU A 15 4.541 2.864 6.036 1.00 0.00 C ATOM 225 C LEU A 15 5.602 3.877 6.507 1.00 0.00 C ATOM 226 O LEU A 15 5.381 5.084 6.386 1.00 0.00 O ATOM 227 CB LEU A 15 3.974 3.196 4.646 1.00 0.00 C ATOM 228 CG LEU A 15 4.985 3.121 3.483 1.00 0.00 C ATOM 229 CD1 LEU A 15 5.938 1.925 3.553 1.00 0.00 C ATOM 230 CD2 LEU A 15 4.233 2.997 2.159 1.00 0.00 C ATOM 0 H LEU A 15 3.243 3.699 7.440 1.00 0.00 H new ATOM 0 HA LEU A 15 5.046 1.900 5.972 1.00 0.00 H new ATOM 0 HB2 LEU A 15 3.152 2.512 4.435 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.553 4.201 4.675 1.00 0.00 H new ATOM 0 HG LEU A 15 5.574 4.035 3.558 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.614 1.948 2.699 1.00 0.00 H new ATOM 0 HD12 LEU A 15 6.517 1.974 4.475 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.362 1.000 3.535 1.00 0.00 H new ATOM 0 HD21 LEU A 15 4.948 2.944 1.338 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.625 2.093 2.169 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.589 3.866 2.024 1.00 0.00 H new ATOM 242 N PRO A 16 6.722 3.440 7.111 1.00 0.00 N ATOM 243 CA PRO A 16 7.792 4.347 7.529 1.00 0.00 C ATOM 244 C PRO A 16 8.551 4.961 6.327 1.00 0.00 C ATOM 245 O PRO A 16 8.496 4.416 5.218 1.00 0.00 O ATOM 246 CB PRO A 16 8.694 3.500 8.435 1.00 0.00 C ATOM 247 CG PRO A 16 8.484 2.073 7.937 1.00 0.00 C ATOM 248 CD PRO A 16 7.027 2.066 7.482 1.00 0.00 C ATOM 0 HA PRO A 16 7.402 5.217 8.057 1.00 0.00 H new ATOM 0 HB2 PRO A 16 9.738 3.802 8.353 1.00 0.00 H new ATOM 0 HB3 PRO A 16 8.415 3.602 9.484 1.00 0.00 H new ATOM 0 HG2 PRO A 16 9.161 1.830 7.118 1.00 0.00 H new ATOM 0 HG3 PRO A 16 8.662 1.342 8.726 1.00 0.00 H new ATOM 0 HD2 PRO A 16 6.884 1.392 6.638 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.370 1.721 8.280 1.00 0.00 H new ATOM 256 N PRO A 17 9.277 6.084 6.522 1.00 0.00 N ATOM 257 CA PRO A 17 9.441 6.821 7.784 1.00 0.00 C ATOM 258 C PRO A 17 8.216 7.667 8.192 1.00 0.00 C ATOM 259 O PRO A 17 8.167 8.158 9.320 1.00 0.00 O ATOM 260 CB PRO A 17 10.673 7.704 7.560 1.00 0.00 C ATOM 261 CG PRO A 17 10.607 8.019 6.067 1.00 0.00 C ATOM 262 CD PRO A 17 10.070 6.718 5.473 1.00 0.00 C ATOM 0 HA PRO A 17 9.554 6.123 8.613 1.00 0.00 H new ATOM 0 HB2 PRO A 17 10.635 8.610 8.165 1.00 0.00 H new ATOM 0 HB3 PRO A 17 11.595 7.184 7.822 1.00 0.00 H new ATOM 0 HG2 PRO A 17 9.947 8.862 5.860 1.00 0.00 H new ATOM 0 HG3 PRO A 17 11.587 8.274 5.663 1.00 0.00 H new ATOM 0 HD2 PRO A 17 9.461 6.916 4.591 1.00 0.00 H new ATOM 0 HD3 PRO A 17 10.887 6.069 5.157 1.00 0.00 H new ATOM 270 N TYR A 18 7.211 7.807 7.316 1.00 0.00 N ATOM 271 CA TYR A 18 5.956 8.532 7.576 1.00 0.00 C ATOM 272 C TYR A 18 5.197 7.972 8.795 1.00 0.00 C ATOM 273 O TYR A 18 4.685 8.723 9.625 1.00 0.00 O ATOM 274 CB TYR A 18 5.060 8.488 6.326 1.00 0.00 C ATOM 275 CG TYR A 18 5.777 8.710 5.003 1.00 0.00 C ATOM 276 CD1 TYR A 18 6.265 9.989 4.671 1.00 0.00 C ATOM 277 CD2 TYR A 18 5.953 7.636 4.104 1.00 0.00 C ATOM 278 CE1 TYR A 18 6.918 10.197 3.438 1.00 0.00 C ATOM 279 CE2 TYR A 18 6.588 7.845 2.864 1.00 0.00 C ATOM 280 CZ TYR A 18 7.071 9.127 2.529 1.00 0.00 C ATOM 281 OH TYR A 18 7.691 9.309 1.331 1.00 0.00 O ATOM 0 H TYR A 18 7.249 7.407 6.378 1.00 0.00 H new ATOM 0 HA TYR A 18 6.216 9.565 7.807 1.00 0.00 H new ATOM 0 HB2 TYR A 18 4.560 7.520 6.291 1.00 0.00 H new ATOM 0 HB3 TYR A 18 4.282 9.245 6.430 1.00 0.00 H new ATOM 0 HD1 TYR A 18 6.139 10.811 5.361 1.00 0.00 H new ATOM 0 HD2 TYR A 18 5.599 6.650 4.368 1.00 0.00 H new ATOM 0 HE1 TYR A 18 7.301 11.175 3.189 1.00 0.00 H new ATOM 0 HE2 TYR A 18 6.705 7.025 2.171 1.00 0.00 H new ATOM 0 HH TYR A 18 7.705 8.462 0.838 1.00 0.00 H new ATOM 291 N GLY A 19 5.130 6.640 8.899 1.00 0.00 N ATOM 292 CA GLY A 19 4.551 5.877 10.015 1.00 0.00 C ATOM 293 C GLY A 19 3.068 5.537 9.833 1.00 0.00 C ATOM 294 O GLY A 19 2.576 4.581 10.427 1.00 0.00 O ATOM 0 H GLY A 19 5.498 6.031 8.168 1.00 0.00 H new ATOM 0 HA2 GLY A 19 5.113 4.951 10.139 1.00 0.00 H new ATOM 0 HA3 GLY A 19 4.672 6.449 10.935 1.00 0.00 H new ATOM 298 N VAL A 20 2.347 6.299 9.008 1.00 0.00 N ATOM 299 CA VAL A 20 0.944 6.074 8.623 1.00 0.00 C ATOM 300 C VAL A 20 0.756 6.517 7.170 1.00 0.00 C ATOM 301 O VAL A 20 1.301 7.544 6.763 1.00 0.00 O ATOM 302 CB VAL A 20 -0.037 6.865 9.525 1.00 0.00 C ATOM 303 CG1 VAL A 20 -1.498 6.517 9.203 1.00 0.00 C ATOM 304 CG2 VAL A 20 0.170 6.609 11.023 1.00 0.00 C ATOM 0 H VAL A 20 2.740 7.130 8.567 1.00 0.00 H new ATOM 0 HA VAL A 20 0.724 5.013 8.741 1.00 0.00 H new ATOM 0 HB VAL A 20 0.175 7.912 9.311 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.160 7.089 9.853 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.710 6.763 8.163 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.662 5.452 9.364 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.550 7.194 11.595 1.00 0.00 H new ATOM 0 HG22 VAL A 20 0.026 5.549 11.234 1.00 0.00 H new ATOM 0 HG23 VAL A 20 1.181 6.901 11.306 1.00 0.00 H new ATOM 314 N GLY A 21 -0.033 5.774 6.397 1.00 0.00 N ATOM 315 CA GLY A 21 -0.425 6.078 5.021 1.00 0.00 C ATOM 316 C GLY A 21 -1.793 5.485 4.680 1.00 0.00 C ATOM 317 O GLY A 21 -2.330 4.666 5.430 1.00 0.00 O ATOM 0 H GLY A 21 -0.437 4.899 6.730 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -0.451 7.159 4.880 1.00 0.00 H new ATOM 0 HA3 GLY A 21 0.324 5.685 4.334 1.00 0.00 H new ATOM 321 N VAL A 22 -2.360 5.890 3.541 1.00 0.00 N ATOM 322 CA VAL A 22 -3.624 5.358 3.018 1.00 0.00 C ATOM 323 C VAL A 22 -3.462 4.976 1.551 1.00 0.00 C ATOM 324 O VAL A 22 -2.894 5.718 0.745 1.00 0.00 O ATOM 325 CB VAL A 22 -4.817 6.311 3.242 1.00 0.00 C ATOM 326 CG1 VAL A 22 -4.954 6.718 4.716 1.00 0.00 C ATOM 327 CG2 VAL A 22 -4.799 7.572 2.371 1.00 0.00 C ATOM 0 H VAL A 22 -1.948 6.608 2.945 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.864 4.459 3.586 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.683 5.725 2.935 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.805 7.389 4.831 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.108 5.828 5.326 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -4.046 7.226 5.039 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.674 8.182 2.596 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.895 8.144 2.578 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.815 7.288 1.319 1.00 0.00 H new ATOM 337 N VAL A 23 -3.927 3.780 1.206 1.00 0.00 N ATOM 338 CA VAL A 23 -3.903 3.249 -0.163 1.00 0.00 C ATOM 339 C VAL A 23 -4.915 4.013 -1.031 1.00 0.00 C ATOM 340 O VAL A 23 -6.014 4.310 -0.567 1.00 0.00 O ATOM 341 CB VAL A 23 -4.249 1.750 -0.138 1.00 0.00 C ATOM 342 CG1 VAL A 23 -4.140 1.129 -1.536 1.00 0.00 C ATOM 343 CG2 VAL A 23 -3.368 0.954 0.839 1.00 0.00 C ATOM 0 H VAL A 23 -4.341 3.135 1.880 1.00 0.00 H new ATOM 0 HA VAL A 23 -2.907 3.377 -0.587 1.00 0.00 H new ATOM 0 HB VAL A 23 -5.280 1.689 0.209 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -4.391 0.069 -1.484 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.830 1.633 -2.213 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.121 1.243 -1.906 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.656 -0.097 0.815 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.322 1.050 0.547 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -3.500 1.344 1.848 1.00 0.00 H new ATOM 353 N ALA A 24 -4.585 4.306 -2.289 1.00 0.00 N ATOM 354 CA ALA A 24 -5.456 5.027 -3.225 1.00 0.00 C ATOM 355 C ALA A 24 -6.032 4.120 -4.331 1.00 0.00 C ATOM 356 O ALA A 24 -7.210 4.232 -4.676 1.00 0.00 O ATOM 357 CB ALA A 24 -4.667 6.205 -3.812 1.00 0.00 C ATOM 0 H ALA A 24 -3.687 4.045 -2.697 1.00 0.00 H new ATOM 0 HA ALA A 24 -6.324 5.396 -2.678 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.298 6.754 -4.511 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.354 6.870 -3.007 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.788 5.829 -4.335 1.00 0.00 H new ATOM 363 N GLY A 25 -5.216 3.212 -4.877 1.00 0.00 N ATOM 364 CA GLY A 25 -5.603 2.259 -5.925 1.00 0.00 C ATOM 365 C GLY A 25 -4.414 1.493 -6.508 1.00 0.00 C ATOM 366 O GLY A 25 -3.261 1.749 -6.149 1.00 0.00 O ATOM 0 H GLY A 25 -4.241 3.116 -4.595 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.320 1.548 -5.514 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.110 2.796 -6.727 1.00 0.00 H new ATOM 370 N ILE A 26 -4.701 0.550 -7.408 1.00 0.00 N ATOM 371 CA ILE A 26 -3.715 -0.278 -8.111 1.00 0.00 C ATOM 372 C ILE A 26 -3.240 0.449 -9.377 1.00 0.00 C ATOM 373 O ILE A 26 -4.037 0.743 -10.271 1.00 0.00 O ATOM 374 CB ILE A 26 -4.290 -1.676 -8.466 1.00 0.00 C ATOM 375 CG1 ILE A 26 -4.582 -2.557 -7.232 1.00 0.00 C ATOM 376 CG2 ILE A 26 -3.263 -2.435 -9.323 1.00 0.00 C ATOM 377 CD1 ILE A 26 -5.846 -2.185 -6.450 1.00 0.00 C ATOM 0 H ILE A 26 -5.660 0.333 -7.678 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.866 -0.437 -7.446 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.230 -1.495 -8.987 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.667 -3.594 -7.558 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -3.728 -2.504 -6.557 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.658 -3.419 -9.578 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -3.067 -1.875 -10.237 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -2.335 -2.550 -8.762 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -5.962 -2.862 -5.603 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.761 -1.161 -6.087 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -6.715 -2.267 -7.103 1.00 0.00 H new ATOM 389 N ALA A 27 -1.934 0.702 -9.466 1.00 0.00 N ATOM 390 CA ALA A 27 -1.271 1.288 -10.629 1.00 0.00 C ATOM 391 C ALA A 27 -0.300 0.281 -11.262 1.00 0.00 C ATOM 392 O ALA A 27 0.678 -0.135 -10.639 1.00 0.00 O ATOM 393 CB ALA A 27 -0.556 2.572 -10.197 1.00 0.00 C ATOM 0 H ALA A 27 -1.288 0.497 -8.704 1.00 0.00 H new ATOM 0 HA ALA A 27 -2.010 1.538 -11.391 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.057 3.018 -11.058 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.284 3.276 -9.794 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.183 2.337 -9.431 1.00 0.00 H new ATOM 399 N GLN A 28 -0.569 -0.135 -12.499 1.00 0.00 N ATOM 400 CA GLN A 28 0.317 -1.009 -13.266 1.00 0.00 C ATOM 401 C GLN A 28 1.494 -0.237 -13.902 1.00 0.00 C ATOM 402 O GLN A 28 1.296 0.579 -14.806 1.00 0.00 O ATOM 403 CB GLN A 28 -0.491 -1.791 -14.312 1.00 0.00 C ATOM 404 CG GLN A 28 -1.609 -2.642 -13.678 1.00 0.00 C ATOM 405 CD GLN A 28 -1.868 -3.936 -14.448 1.00 0.00 C ATOM 406 OE1 GLN A 28 -2.860 -4.095 -15.149 1.00 0.00 O ATOM 407 NE2 GLN A 28 -0.992 -4.916 -14.343 1.00 0.00 N ATOM 0 H GLN A 28 -1.417 0.128 -13.002 1.00 0.00 H new ATOM 0 HA GLN A 28 0.766 -1.723 -12.576 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -0.930 -1.092 -15.024 1.00 0.00 H new ATOM 0 HB3 GLN A 28 0.180 -2.440 -14.875 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -1.339 -2.883 -12.650 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -2.528 -2.057 -13.638 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -0.161 -4.798 -13.763 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -1.145 -5.792 -14.842 1.00 0.00 H new ATOM 416 N ARG A 29 2.725 -0.506 -13.443 1.00 0.00 N ATOM 417 CA ARG A 29 3.994 0.050 -13.960 1.00 0.00 C ATOM 418 C ARG A 29 4.696 -0.926 -14.906 1.00 0.00 C ATOM 419 O ARG A 29 4.986 -2.059 -14.525 1.00 0.00 O ATOM 420 CB ARG A 29 4.933 0.394 -12.786 1.00 0.00 C ATOM 421 CG ARG A 29 4.690 1.791 -12.195 1.00 0.00 C ATOM 422 CD ARG A 29 5.264 2.891 -13.101 1.00 0.00 C ATOM 423 NE ARG A 29 5.392 4.184 -12.397 1.00 0.00 N ATOM 424 CZ ARG A 29 6.167 5.197 -12.748 1.00 0.00 C ATOM 425 NH1 ARG A 29 6.893 5.172 -13.831 1.00 0.00 N ATOM 426 NH2 ARG A 29 6.236 6.268 -12.011 1.00 0.00 N ATOM 0 H ARG A 29 2.875 -1.147 -12.664 1.00 0.00 H new ATOM 0 HA ARG A 29 3.755 0.953 -14.522 1.00 0.00 H new ATOM 0 HB2 ARG A 29 4.807 -0.351 -12.000 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.966 0.327 -13.126 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.620 1.950 -12.061 1.00 0.00 H new ATOM 0 HG3 ARG A 29 5.148 1.855 -11.208 1.00 0.00 H new ATOM 0 HD2 ARG A 29 6.242 2.582 -13.470 1.00 0.00 H new ATOM 0 HD3 ARG A 29 4.620 3.015 -13.971 1.00 0.00 H new ATOM 0 HE ARG A 29 4.827 4.308 -11.557 1.00 0.00 H new ATOM 0 HH11 ARG A 29 6.875 4.353 -14.438 1.00 0.00 H new ATOM 0 HH12 ARG A 29 7.479 5.972 -14.071 1.00 0.00 H new ATOM 0 HH21 ARG A 29 5.689 6.332 -11.153 1.00 0.00 H new ATOM 0 HH22 ARG A 29 6.837 7.043 -12.292 1.00 0.00 H new ATOM 440 N SER A 30 4.967 -0.478 -16.131 1.00 0.00 N ATOM 441 CA SER A 30 5.724 -1.197 -17.169 1.00 0.00 C ATOM 442 C SER A 30 7.189 -1.407 -16.751 1.00 0.00 C ATOM 443 O SER A 30 7.944 -0.439 -16.624 1.00 0.00 O ATOM 444 CB SER A 30 5.631 -0.411 -18.486 1.00 0.00 C ATOM 445 OG SER A 30 6.478 -0.956 -19.487 1.00 0.00 O ATOM 0 H SER A 30 4.652 0.439 -16.447 1.00 0.00 H new ATOM 0 HA SER A 30 5.290 -2.188 -17.306 1.00 0.00 H new ATOM 0 HB2 SER A 30 4.600 -0.416 -18.840 1.00 0.00 H new ATOM 0 HB3 SER A 30 5.902 0.630 -18.308 1.00 0.00 H new ATOM 0 HG SER A 30 6.391 -0.431 -20.310 1.00 0.00 H new ATOM 451 N VAL A 31 7.593 -2.663 -16.524 1.00 0.00 N ATOM 452 CA VAL A 31 8.950 -3.074 -16.106 1.00 0.00 C ATOM 453 C VAL A 31 9.364 -4.346 -16.857 1.00 0.00 C ATOM 454 O VAL A 31 8.653 -5.345 -16.812 1.00 0.00 O ATOM 455 CB VAL A 31 9.004 -3.321 -14.581 1.00 0.00 C ATOM 456 CG1 VAL A 31 10.419 -3.712 -14.128 1.00 0.00 C ATOM 457 CG2 VAL A 31 8.596 -2.085 -13.767 1.00 0.00 C ATOM 0 H VAL A 31 6.962 -3.457 -16.629 1.00 0.00 H new ATOM 0 HA VAL A 31 9.644 -2.269 -16.348 1.00 0.00 H new ATOM 0 HB VAL A 31 8.297 -4.130 -14.397 1.00 0.00 H new ATOM 0 HG11 VAL A 31 10.423 -3.879 -13.051 1.00 0.00 H new ATOM 0 HG12 VAL A 31 10.725 -4.626 -14.638 1.00 0.00 H new ATOM 0 HG13 VAL A 31 11.114 -2.909 -14.374 1.00 0.00 H new ATOM 0 HG21 VAL A 31 8.652 -2.315 -12.703 1.00 0.00 H new ATOM 0 HG22 VAL A 31 9.270 -1.260 -13.996 1.00 0.00 H new ATOM 0 HG23 VAL A 31 7.575 -1.801 -14.023 1.00 0.00 H new ATOM 467 N SER A 32 10.510 -4.350 -17.549 1.00 0.00 N ATOM 468 CA SER A 32 11.009 -5.523 -18.306 1.00 0.00 C ATOM 469 C SER A 32 10.012 -6.043 -19.373 1.00 0.00 C ATOM 470 O SER A 32 10.001 -7.225 -19.726 1.00 0.00 O ATOM 471 CB SER A 32 11.441 -6.611 -17.302 1.00 0.00 C ATOM 472 OG SER A 32 12.322 -7.567 -17.874 1.00 0.00 O ATOM 0 H SER A 32 11.126 -3.539 -17.605 1.00 0.00 H new ATOM 0 HA SER A 32 11.875 -5.214 -18.892 1.00 0.00 H new ATOM 0 HB2 SER A 32 11.928 -6.139 -16.449 1.00 0.00 H new ATOM 0 HB3 SER A 32 10.556 -7.121 -16.922 1.00 0.00 H new ATOM 0 HG SER A 32 11.964 -7.867 -18.735 1.00 0.00 H new ATOM 478 N GLY A 33 9.135 -5.160 -19.873 1.00 0.00 N ATOM 479 CA GLY A 33 8.049 -5.454 -20.819 1.00 0.00 C ATOM 480 C GLY A 33 6.744 -5.964 -20.183 1.00 0.00 C ATOM 481 O GLY A 33 5.728 -6.043 -20.878 1.00 0.00 O ATOM 0 H GLY A 33 9.166 -4.173 -19.616 1.00 0.00 H new ATOM 0 HA2 GLY A 33 7.828 -4.550 -21.386 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.402 -6.199 -21.532 1.00 0.00 H new ATOM 485 N VAL A 34 6.735 -6.279 -18.881 1.00 0.00 N ATOM 486 CA VAL A 34 5.556 -6.723 -18.115 1.00 0.00 C ATOM 487 C VAL A 34 5.085 -5.631 -17.154 1.00 0.00 C ATOM 488 O VAL A 34 5.844 -5.106 -16.342 1.00 0.00 O ATOM 489 CB VAL A 34 5.797 -8.081 -17.416 1.00 0.00 C ATOM 490 CG1 VAL A 34 6.977 -8.119 -16.437 1.00 0.00 C ATOM 491 CG2 VAL A 34 4.540 -8.562 -16.678 1.00 0.00 C ATOM 0 H VAL A 34 7.578 -6.231 -18.309 1.00 0.00 H new ATOM 0 HA VAL A 34 4.743 -6.895 -18.820 1.00 0.00 H new ATOM 0 HB VAL A 34 6.051 -8.748 -18.240 1.00 0.00 H new ATOM 0 HG11 VAL A 34 7.058 -9.116 -16.003 1.00 0.00 H new ATOM 0 HG12 VAL A 34 7.898 -7.879 -16.968 1.00 0.00 H new ATOM 0 HG13 VAL A 34 6.815 -7.389 -15.643 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.744 -9.519 -16.198 1.00 0.00 H new ATOM 0 HG22 VAL A 34 4.259 -7.829 -15.922 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.723 -8.680 -17.390 1.00 0.00 H new ATOM 501 N SER A 35 3.816 -5.238 -17.265 1.00 0.00 N ATOM 502 CA SER A 35 3.229 -4.277 -16.328 1.00 0.00 C ATOM 503 C SER A 35 2.911 -4.983 -15.007 1.00 0.00 C ATOM 504 O SER A 35 2.092 -5.904 -14.973 1.00 0.00 O ATOM 505 CB SER A 35 1.970 -3.660 -16.947 1.00 0.00 C ATOM 506 OG SER A 35 2.261 -2.373 -17.469 1.00 0.00 O ATOM 0 H SER A 35 3.177 -5.567 -17.989 1.00 0.00 H new ATOM 0 HA SER A 35 3.936 -3.473 -16.125 1.00 0.00 H new ATOM 0 HB2 SER A 35 1.592 -4.305 -17.740 1.00 0.00 H new ATOM 0 HB3 SER A 35 1.185 -3.586 -16.195 1.00 0.00 H new ATOM 0 HG SER A 35 1.450 -1.989 -17.863 1.00 0.00 H new ATOM 512 N ARG A 36 3.513 -4.519 -13.904 1.00 0.00 N ATOM 513 CA ARG A 36 3.267 -5.035 -12.543 1.00 0.00 C ATOM 514 C ARG A 36 2.417 -4.053 -11.753 1.00 0.00 C ATOM 515 O ARG A 36 2.667 -2.850 -11.786 1.00 0.00 O ATOM 516 CB ARG A 36 4.569 -5.314 -11.778 1.00 0.00 C ATOM 517 CG ARG A 36 5.633 -6.080 -12.577 1.00 0.00 C ATOM 518 CD ARG A 36 6.499 -6.951 -11.649 1.00 0.00 C ATOM 519 NE ARG A 36 7.946 -6.800 -11.893 1.00 0.00 N ATOM 520 CZ ARG A 36 8.912 -7.313 -11.148 1.00 0.00 C ATOM 521 NH1 ARG A 36 8.663 -8.092 -10.132 1.00 0.00 N ATOM 522 NH2 ARG A 36 10.161 -7.054 -11.407 1.00 0.00 N ATOM 0 H ARG A 36 4.196 -3.762 -13.928 1.00 0.00 H new ATOM 0 HA ARG A 36 2.738 -5.981 -12.654 1.00 0.00 H new ATOM 0 HB2 ARG A 36 4.993 -4.364 -11.452 1.00 0.00 H new ATOM 0 HB3 ARG A 36 4.331 -5.882 -10.879 1.00 0.00 H new ATOM 0 HG2 ARG A 36 5.149 -6.709 -13.324 1.00 0.00 H new ATOM 0 HG3 ARG A 36 6.266 -5.375 -13.115 1.00 0.00 H new ATOM 0 HD2 ARG A 36 6.283 -6.692 -10.612 1.00 0.00 H new ATOM 0 HD3 ARG A 36 6.222 -7.997 -11.781 1.00 0.00 H new ATOM 0 HE ARG A 36 8.226 -6.253 -12.707 1.00 0.00 H new ATOM 0 HH11 ARG A 36 7.699 -8.323 -9.891 1.00 0.00 H new ATOM 0 HH12 ARG A 36 9.432 -8.470 -9.579 1.00 0.00 H new ATOM 0 HH21 ARG A 36 10.404 -6.449 -12.192 1.00 0.00 H new ATOM 0 HH22 ARG A 36 10.896 -7.456 -10.825 1.00 0.00 H new ATOM 536 N ALA A 37 1.404 -4.558 -11.061 1.00 0.00 N ATOM 537 CA ALA A 37 0.550 -3.766 -10.187 1.00 0.00 C ATOM 538 C ALA A 37 1.284 -3.310 -8.911 1.00 0.00 C ATOM 539 O ALA A 37 2.050 -4.065 -8.305 1.00 0.00 O ATOM 540 CB ALA A 37 -0.691 -4.607 -9.879 1.00 0.00 C ATOM 0 H ALA A 37 1.149 -5.545 -11.092 1.00 0.00 H new ATOM 0 HA ALA A 37 0.258 -2.841 -10.685 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.358 -4.046 -9.224 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -1.210 -4.844 -10.808 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -0.391 -5.531 -9.385 1.00 0.00 H new ATOM 546 N TYR A 38 0.994 -2.079 -8.488 1.00 0.00 N ATOM 547 CA TYR A 38 1.529 -1.434 -7.293 1.00 0.00 C ATOM 548 C TYR A 38 0.462 -0.578 -6.594 1.00 0.00 C ATOM 549 O TYR A 38 -0.184 0.253 -7.235 1.00 0.00 O ATOM 550 CB TYR A 38 2.719 -0.555 -7.696 1.00 0.00 C ATOM 551 CG TYR A 38 3.985 -1.316 -8.051 1.00 0.00 C ATOM 552 CD1 TYR A 38 4.814 -1.794 -7.022 1.00 0.00 C ATOM 553 CD2 TYR A 38 4.346 -1.543 -9.392 1.00 0.00 C ATOM 554 CE1 TYR A 38 5.987 -2.511 -7.316 1.00 0.00 C ATOM 555 CE2 TYR A 38 5.532 -2.240 -9.697 1.00 0.00 C ATOM 556 CZ TYR A 38 6.347 -2.744 -8.661 1.00 0.00 C ATOM 557 OH TYR A 38 7.469 -3.453 -8.963 1.00 0.00 O ATOM 0 H TYR A 38 0.347 -1.476 -8.997 1.00 0.00 H new ATOM 0 HA TYR A 38 1.848 -2.205 -6.592 1.00 0.00 H new ATOM 0 HB2 TYR A 38 2.428 0.056 -8.551 1.00 0.00 H new ATOM 0 HB3 TYR A 38 2.941 0.129 -6.877 1.00 0.00 H new ATOM 0 HD1 TYR A 38 4.547 -1.608 -5.992 1.00 0.00 H new ATOM 0 HD2 TYR A 38 3.713 -1.182 -10.189 1.00 0.00 H new ATOM 0 HE1 TYR A 38 6.610 -2.882 -6.516 1.00 0.00 H new ATOM 0 HE2 TYR A 38 5.818 -2.389 -10.728 1.00 0.00 H new ATOM 0 HH TYR A 38 7.563 -3.518 -9.936 1.00 0.00 H new ATOM 567 N TYR A 39 0.258 -0.769 -5.288 1.00 0.00 N ATOM 568 CA TYR A 39 -0.656 0.057 -4.490 1.00 0.00 C ATOM 569 C TYR A 39 -0.065 1.455 -4.288 1.00 0.00 C ATOM 570 O TYR A 39 1.014 1.590 -3.710 1.00 0.00 O ATOM 571 CB TYR A 39 -0.935 -0.581 -3.122 1.00 0.00 C ATOM 572 CG TYR A 39 -1.403 -2.019 -3.155 1.00 0.00 C ATOM 573 CD1 TYR A 39 -2.456 -2.401 -4.008 1.00 0.00 C ATOM 574 CD2 TYR A 39 -0.775 -2.976 -2.337 1.00 0.00 C ATOM 575 CE1 TYR A 39 -2.857 -3.749 -4.075 1.00 0.00 C ATOM 576 CE2 TYR A 39 -1.184 -4.319 -2.391 1.00 0.00 C ATOM 577 CZ TYR A 39 -2.222 -4.713 -3.261 1.00 0.00 C ATOM 578 OH TYR A 39 -2.569 -6.025 -3.346 1.00 0.00 O ATOM 0 H TYR A 39 0.722 -1.502 -4.752 1.00 0.00 H new ATOM 0 HA TYR A 39 -1.597 0.131 -5.035 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -0.025 -0.527 -2.524 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.689 0.016 -2.610 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -2.957 -1.659 -4.612 1.00 0.00 H new ATOM 0 HD2 TYR A 39 0.020 -2.679 -1.669 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -3.648 -4.045 -4.747 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -0.701 -5.053 -1.763 1.00 0.00 H new ATOM 0 HH TYR A 39 -2.031 -6.547 -2.715 1.00 0.00 H new ATOM 588 N GLN A 40 -0.759 2.487 -4.766 1.00 0.00 N ATOM 589 CA GLN A 40 -0.386 3.892 -4.590 1.00 0.00 C ATOM 590 C GLN A 40 -0.710 4.359 -3.155 1.00 0.00 C ATOM 591 O GLN A 40 -1.871 4.618 -2.845 1.00 0.00 O ATOM 592 CB GLN A 40 -1.167 4.750 -5.602 1.00 0.00 C ATOM 593 CG GLN A 40 -1.020 4.353 -7.076 1.00 0.00 C ATOM 594 CD GLN A 40 -1.805 5.303 -7.984 1.00 0.00 C ATOM 595 OE1 GLN A 40 -1.266 5.983 -8.845 1.00 0.00 O ATOM 596 NE2 GLN A 40 -3.109 5.408 -7.830 1.00 0.00 N ATOM 0 H GLN A 40 -1.619 2.367 -5.301 1.00 0.00 H new ATOM 0 HA GLN A 40 0.685 4.002 -4.758 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -2.224 4.713 -5.340 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -0.848 5.786 -5.492 1.00 0.00 H new ATOM 0 HG2 GLN A 40 0.033 4.365 -7.356 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -1.376 3.332 -7.218 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -3.585 4.852 -7.119 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -3.643 6.045 -8.422 1.00 0.00 H new ATOM 605 N VAL A 41 0.278 4.468 -2.267 1.00 0.00 N ATOM 606 CA VAL A 41 0.093 4.954 -0.884 1.00 0.00 C ATOM 607 C VAL A 41 0.358 6.453 -0.820 1.00 0.00 C ATOM 608 O VAL A 41 1.498 6.875 -0.981 1.00 0.00 O ATOM 609 CB VAL A 41 0.999 4.233 0.128 1.00 0.00 C ATOM 610 CG1 VAL A 41 0.526 4.528 1.560 1.00 0.00 C ATOM 611 CG2 VAL A 41 0.992 2.720 -0.077 1.00 0.00 C ATOM 0 H VAL A 41 1.244 4.220 -2.482 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.940 4.738 -0.610 1.00 0.00 H new ATOM 0 HB VAL A 41 2.012 4.604 -0.029 1.00 0.00 H new ATOM 0 HG11 VAL A 41 1.173 4.013 2.270 1.00 0.00 H new ATOM 0 HG12 VAL A 41 0.568 5.602 1.743 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.499 4.178 1.684 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.645 2.250 0.659 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.023 2.341 0.044 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.349 2.487 -1.080 1.00 0.00 H new ATOM 621 N ASP A 42 -0.685 7.256 -0.631 1.00 0.00 N ATOM 622 CA ASP A 42 -0.610 8.718 -0.521 1.00 0.00 C ATOM 623 C ASP A 42 -0.603 9.142 0.960 1.00 0.00 C ATOM 624 O ASP A 42 -1.397 8.635 1.759 1.00 0.00 O ATOM 625 CB ASP A 42 -1.816 9.305 -1.279 1.00 0.00 C ATOM 626 CG ASP A 42 -1.575 10.723 -1.813 1.00 0.00 C ATOM 627 OD1 ASP A 42 -1.261 11.639 -1.023 1.00 0.00 O ATOM 628 OD2 ASP A 42 -1.744 10.915 -3.041 1.00 0.00 O ATOM 0 H ASP A 42 -1.637 6.901 -0.547 1.00 0.00 H new ATOM 0 HA ASP A 42 0.313 9.096 -0.960 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -2.064 8.649 -2.113 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -2.680 9.318 -0.615 1.00 0.00 H new ATOM 633 N PHE A 43 0.296 10.051 1.349 1.00 0.00 N ATOM 634 CA PHE A 43 0.460 10.502 2.741 1.00 0.00 C ATOM 635 C PHE A 43 0.011 11.964 2.917 1.00 0.00 C ATOM 636 O PHE A 43 0.238 12.779 2.018 1.00 0.00 O ATOM 637 CB PHE A 43 1.924 10.341 3.182 1.00 0.00 C ATOM 638 CG PHE A 43 2.564 9.044 2.733 1.00 0.00 C ATOM 639 CD1 PHE A 43 2.369 7.859 3.458 1.00 0.00 C ATOM 640 CD2 PHE A 43 3.299 9.015 1.535 1.00 0.00 C ATOM 641 CE1 PHE A 43 2.913 6.653 2.992 1.00 0.00 C ATOM 642 CE2 PHE A 43 3.853 7.815 1.068 1.00 0.00 C ATOM 643 CZ PHE A 43 3.662 6.634 1.803 1.00 0.00 C ATOM 0 H PHE A 43 0.941 10.502 0.700 1.00 0.00 H new ATOM 0 HA PHE A 43 -0.175 9.879 3.371 1.00 0.00 H new ATOM 0 HB2 PHE A 43 2.505 11.176 2.789 1.00 0.00 H new ATOM 0 HB3 PHE A 43 1.974 10.401 4.269 1.00 0.00 H new ATOM 0 HD1 PHE A 43 1.800 7.875 4.376 1.00 0.00 H new ATOM 0 HD2 PHE A 43 3.438 9.925 0.970 1.00 0.00 H new ATOM 0 HE1 PHE A 43 2.756 5.740 3.547 1.00 0.00 H new ATOM 0 HE2 PHE A 43 4.422 7.799 0.150 1.00 0.00 H new ATOM 0 HZ PHE A 43 4.092 5.707 1.453 1.00 0.00 H new ATOM 653 N PRO A 44 -0.583 12.343 4.066 1.00 0.00 N ATOM 654 CA PRO A 44 -0.988 13.727 4.319 1.00 0.00 C ATOM 655 C PRO A 44 0.221 14.671 4.473 1.00 0.00 C ATOM 656 O PRO A 44 1.340 14.249 4.776 1.00 0.00 O ATOM 657 CB PRO A 44 -1.850 13.664 5.585 1.00 0.00 C ATOM 658 CG PRO A 44 -1.300 12.449 6.331 1.00 0.00 C ATOM 659 CD PRO A 44 -0.913 11.495 5.203 1.00 0.00 C ATOM 0 HA PRO A 44 -1.544 14.144 3.479 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -1.759 14.574 6.178 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -2.907 13.544 5.346 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -0.442 12.711 6.950 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -2.047 12.010 6.992 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -0.063 10.875 5.489 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -1.734 10.819 4.962 1.00 0.00 H new ATOM 667 N GLY A 45 -0.012 15.973 4.271 1.00 0.00 N ATOM 668 CA GLY A 45 0.996 17.043 4.348 1.00 0.00 C ATOM 669 C GLY A 45 1.825 17.262 3.069 1.00 0.00 C ATOM 670 O GLY A 45 2.483 18.296 2.934 1.00 0.00 O ATOM 0 H GLY A 45 -0.941 16.326 4.041 1.00 0.00 H new ATOM 0 HA2 GLY A 45 0.492 17.976 4.598 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.678 16.819 5.169 1.00 0.00 H new ATOM 674 N SER A 46 1.788 16.323 2.121 1.00 0.00 N ATOM 675 CA SER A 46 2.481 16.361 0.822 1.00 0.00 C ATOM 676 C SER A 46 1.736 15.538 -0.246 1.00 0.00 C ATOM 677 O SER A 46 0.628 15.049 -0.015 1.00 0.00 O ATOM 678 CB SER A 46 3.939 15.890 0.997 1.00 0.00 C ATOM 679 OG SER A 46 4.010 14.603 1.590 1.00 0.00 O ATOM 0 H SER A 46 1.246 15.468 2.241 1.00 0.00 H new ATOM 0 HA SER A 46 2.491 17.390 0.463 1.00 0.00 H new ATOM 0 HB2 SER A 46 4.434 15.870 0.026 1.00 0.00 H new ATOM 0 HB3 SER A 46 4.480 16.606 1.616 1.00 0.00 H new ATOM 0 HG SER A 46 4.949 14.337 1.683 1.00 0.00 H new ATOM 685 N ARG A 47 2.322 15.420 -1.448 1.00 0.00 N ATOM 686 CA ARG A 47 1.837 14.595 -2.580 1.00 0.00 C ATOM 687 C ARG A 47 2.683 13.332 -2.774 1.00 0.00 C ATOM 688 O ARG A 47 2.509 12.618 -3.763 1.00 0.00 O ATOM 689 CB ARG A 47 1.814 15.432 -3.871 1.00 0.00 C ATOM 690 CG ARG A 47 0.798 16.583 -3.816 1.00 0.00 C ATOM 691 CD ARG A 47 1.235 17.771 -4.692 1.00 0.00 C ATOM 692 NE ARG A 47 1.258 19.034 -3.926 1.00 0.00 N ATOM 693 CZ ARG A 47 2.091 19.384 -2.959 1.00 0.00 C ATOM 694 NH1 ARG A 47 3.105 18.642 -2.607 1.00 0.00 N ATOM 695 NH2 ARG A 47 1.919 20.500 -2.313 1.00 0.00 N ATOM 0 H ARG A 47 3.184 15.916 -1.673 1.00 0.00 H new ATOM 0 HA ARG A 47 0.824 14.271 -2.343 1.00 0.00 H new ATOM 0 HB2 ARG A 47 2.809 15.840 -4.052 1.00 0.00 H new ATOM 0 HB3 ARG A 47 1.577 14.784 -4.715 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.176 16.225 -4.149 1.00 0.00 H new ATOM 0 HG3 ARG A 47 0.680 16.915 -2.785 1.00 0.00 H new ATOM 0 HD2 ARG A 47 2.226 17.576 -5.102 1.00 0.00 H new ATOM 0 HD3 ARG A 47 0.554 17.870 -5.537 1.00 0.00 H new ATOM 0 HE ARG A 47 0.545 19.720 -4.173 1.00 0.00 H new ATOM 0 HH11 ARG A 47 3.278 17.757 -3.083 1.00 0.00 H new ATOM 0 HH12 ARG A 47 3.724 18.947 -1.856 1.00 0.00 H new ATOM 0 HH21 ARG A 47 1.138 21.112 -2.551 1.00 0.00 H new ATOM 0 HH22 ARG A 47 2.565 20.763 -1.569 1.00 0.00 H new ATOM 709 N SER A 48 3.610 13.065 -1.849 1.00 0.00 N ATOM 710 CA SER A 48 4.440 11.859 -1.833 1.00 0.00 C ATOM 711 C SER A 48 3.572 10.613 -1.975 1.00 0.00 C ATOM 712 O SER A 48 2.582 10.443 -1.256 1.00 0.00 O ATOM 713 CB SER A 48 5.270 11.779 -0.547 1.00 0.00 C ATOM 714 OG SER A 48 6.327 12.723 -0.602 1.00 0.00 O ATOM 0 H SER A 48 3.808 13.697 -1.073 1.00 0.00 H new ATOM 0 HA SER A 48 5.125 11.911 -2.680 1.00 0.00 H new ATOM 0 HB2 SER A 48 4.638 11.976 0.319 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.673 10.774 -0.425 1.00 0.00 H new ATOM 0 HG SER A 48 6.855 12.671 0.222 1.00 0.00 H new ATOM 720 N LYS A 49 3.942 9.759 -2.929 1.00 0.00 N ATOM 721 CA LYS A 49 3.321 8.459 -3.167 1.00 0.00 C ATOM 722 C LYS A 49 4.377 7.364 -3.088 1.00 0.00 C ATOM 723 O LYS A 49 5.488 7.533 -3.597 1.00 0.00 O ATOM 724 CB LYS A 49 2.595 8.415 -4.521 1.00 0.00 C ATOM 725 CG LYS A 49 1.277 9.218 -4.578 1.00 0.00 C ATOM 726 CD LYS A 49 0.208 8.395 -5.316 1.00 0.00 C ATOM 727 CE LYS A 49 -0.955 9.206 -5.905 1.00 0.00 C ATOM 728 NZ LYS A 49 -2.195 9.119 -5.090 1.00 0.00 N ATOM 0 H LYS A 49 4.705 9.960 -3.576 1.00 0.00 H new ATOM 0 HA LYS A 49 2.571 8.293 -2.394 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.268 8.794 -5.290 1.00 0.00 H new ATOM 0 HB3 LYS A 49 2.381 7.375 -4.769 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.938 9.453 -3.569 1.00 0.00 H new ATOM 0 HG3 LYS A 49 1.438 10.167 -5.090 1.00 0.00 H new ATOM 0 HD2 LYS A 49 0.691 7.844 -6.123 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.199 7.656 -4.625 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -0.656 10.251 -5.991 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -1.164 8.851 -6.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -2.971 9.600 -5.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -2.445 8.120 -4.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -2.038 9.576 -4.169 1.00 0.00 H new ATOM 742 N ALA A 50 4.011 6.232 -2.498 1.00 0.00 N ATOM 743 CA ALA A 50 4.845 5.035 -2.420 1.00 0.00 C ATOM 744 C ALA A 50 4.131 3.879 -3.124 1.00 0.00 C ATOM 745 O ALA A 50 2.940 3.669 -2.908 1.00 0.00 O ATOM 746 CB ALA A 50 5.145 4.717 -0.955 1.00 0.00 C ATOM 0 H ALA A 50 3.103 6.117 -2.048 1.00 0.00 H new ATOM 0 HA ALA A 50 5.798 5.198 -2.924 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.767 3.824 -0.897 1.00 0.00 H new ATOM 0 HB2 ALA A 50 5.672 5.556 -0.501 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.210 4.544 -0.422 1.00 0.00 H new ATOM 752 N TYR A 51 4.839 3.158 -3.993 1.00 0.00 N ATOM 753 CA TYR A 51 4.289 2.084 -4.824 1.00 0.00 C ATOM 754 C TYR A 51 4.616 0.716 -4.207 1.00 0.00 C ATOM 755 O TYR A 51 5.739 0.221 -4.329 1.00 0.00 O ATOM 756 CB TYR A 51 4.838 2.224 -6.260 1.00 0.00 C ATOM 757 CG TYR A 51 4.024 3.104 -7.200 1.00 0.00 C ATOM 758 CD1 TYR A 51 3.560 4.372 -6.792 1.00 0.00 C ATOM 759 CD2 TYR A 51 3.745 2.652 -8.506 1.00 0.00 C ATOM 760 CE1 TYR A 51 2.811 5.173 -7.675 1.00 0.00 C ATOM 761 CE2 TYR A 51 2.977 3.441 -9.384 1.00 0.00 C ATOM 762 CZ TYR A 51 2.512 4.708 -8.973 1.00 0.00 C ATOM 763 OH TYR A 51 1.795 5.485 -9.828 1.00 0.00 O ATOM 0 H TYR A 51 5.837 3.308 -4.143 1.00 0.00 H new ATOM 0 HA TYR A 51 3.203 2.161 -4.869 1.00 0.00 H new ATOM 0 HB2 TYR A 51 5.850 2.624 -6.204 1.00 0.00 H new ATOM 0 HB3 TYR A 51 4.913 1.229 -6.698 1.00 0.00 H new ATOM 0 HD1 TYR A 51 3.780 4.730 -5.797 1.00 0.00 H new ATOM 0 HD2 TYR A 51 4.122 1.695 -8.835 1.00 0.00 H new ATOM 0 HE1 TYR A 51 2.465 6.146 -7.358 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.744 3.076 -10.373 1.00 0.00 H new ATOM 0 HH TYR A 51 0.885 5.599 -9.482 1.00 0.00 H new ATOM 773 N VAL A 52 3.650 0.112 -3.509 1.00 0.00 N ATOM 774 CA VAL A 52 3.832 -1.171 -2.799 1.00 0.00 C ATOM 775 C VAL A 52 3.543 -2.363 -3.722 1.00 0.00 C ATOM 776 O VAL A 52 2.462 -2.398 -4.314 1.00 0.00 O ATOM 777 CB VAL A 52 2.922 -1.254 -1.564 1.00 0.00 C ATOM 778 CG1 VAL A 52 3.022 -2.615 -0.864 1.00 0.00 C ATOM 779 CG2 VAL A 52 3.258 -0.137 -0.562 1.00 0.00 C ATOM 0 H VAL A 52 2.710 0.497 -3.416 1.00 0.00 H new ATOM 0 HA VAL A 52 4.873 -1.214 -2.479 1.00 0.00 H new ATOM 0 HB VAL A 52 1.899 -1.129 -1.919 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.362 -2.628 0.003 1.00 0.00 H new ATOM 0 HG12 VAL A 52 2.726 -3.403 -1.557 1.00 0.00 H new ATOM 0 HG13 VAL A 52 4.049 -2.783 -0.540 1.00 0.00 H new ATOM 0 HG21 VAL A 52 2.601 -0.216 0.304 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.295 -0.236 -0.241 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.116 0.833 -1.038 1.00 0.00 H new ATOM 789 N PRO A 53 4.452 -3.349 -3.849 1.00 0.00 N ATOM 790 CA PRO A 53 4.247 -4.524 -4.699 1.00 0.00 C ATOM 791 C PRO A 53 3.090 -5.394 -4.200 1.00 0.00 C ATOM 792 O PRO A 53 3.082 -5.825 -3.046 1.00 0.00 O ATOM 793 CB PRO A 53 5.577 -5.290 -4.672 1.00 0.00 C ATOM 794 CG PRO A 53 6.216 -4.868 -3.351 1.00 0.00 C ATOM 795 CD PRO A 53 5.746 -3.427 -3.182 1.00 0.00 C ATOM 0 HA PRO A 53 3.972 -4.233 -5.713 1.00 0.00 H new ATOM 0 HB2 PRO A 53 5.418 -6.368 -4.713 1.00 0.00 H new ATOM 0 HB3 PRO A 53 6.207 -5.028 -5.522 1.00 0.00 H new ATOM 0 HG2 PRO A 53 5.887 -5.498 -2.525 1.00 0.00 H new ATOM 0 HG3 PRO A 53 7.303 -4.935 -3.390 1.00 0.00 H new ATOM 0 HD2 PRO A 53 5.658 -3.166 -2.127 1.00 0.00 H new ATOM 0 HD3 PRO A 53 6.457 -2.730 -3.625 1.00 0.00 H new ATOM 803 N VAL A 54 2.135 -5.708 -5.079 1.00 0.00 N ATOM 804 CA VAL A 54 1.005 -6.609 -4.768 1.00 0.00 C ATOM 805 C VAL A 54 1.432 -8.049 -4.438 1.00 0.00 C ATOM 806 O VAL A 54 0.708 -8.770 -3.755 1.00 0.00 O ATOM 807 CB VAL A 54 -0.032 -6.636 -5.907 1.00 0.00 C ATOM 808 CG1 VAL A 54 -0.577 -5.234 -6.206 1.00 0.00 C ATOM 809 CG2 VAL A 54 0.520 -7.222 -7.214 1.00 0.00 C ATOM 0 H VAL A 54 2.117 -5.347 -6.033 1.00 0.00 H new ATOM 0 HA VAL A 54 0.554 -6.188 -3.869 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.830 -7.284 -5.545 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.306 -5.292 -7.015 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -1.056 -4.832 -5.313 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.243 -4.580 -6.503 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.260 -7.212 -7.975 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.365 -6.623 -7.553 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.848 -8.248 -7.043 1.00 0.00 H new ATOM 819 N GLU A 55 2.606 -8.473 -4.916 1.00 0.00 N ATOM 820 CA GLU A 55 3.158 -9.822 -4.718 1.00 0.00 C ATOM 821 C GLU A 55 3.658 -10.040 -3.285 1.00 0.00 C ATOM 822 O GLU A 55 3.350 -11.058 -2.660 1.00 0.00 O ATOM 823 CB GLU A 55 4.320 -10.061 -5.694 1.00 0.00 C ATOM 824 CG GLU A 55 3.880 -9.958 -7.164 1.00 0.00 C ATOM 825 CD GLU A 55 4.312 -11.183 -7.994 1.00 0.00 C ATOM 826 OE1 GLU A 55 3.855 -12.315 -7.699 1.00 0.00 O ATOM 827 OE2 GLU A 55 5.092 -11.020 -8.965 1.00 0.00 O ATOM 0 H GLU A 55 3.218 -7.872 -5.468 1.00 0.00 H new ATOM 0 HA GLU A 55 2.350 -10.529 -4.906 1.00 0.00 H new ATOM 0 HB2 GLU A 55 5.108 -9.333 -5.501 1.00 0.00 H new ATOM 0 HB3 GLU A 55 4.746 -11.048 -5.513 1.00 0.00 H new ATOM 0 HG2 GLU A 55 2.796 -9.856 -7.210 1.00 0.00 H new ATOM 0 HG3 GLU A 55 4.304 -9.056 -7.605 1.00 0.00 H new ATOM 834 N ALA A 56 4.424 -9.076 -2.767 1.00 0.00 N ATOM 835 CA ALA A 56 4.970 -9.095 -1.413 1.00 0.00 C ATOM 836 C ALA A 56 4.773 -7.731 -0.712 1.00 0.00 C ATOM 837 O ALA A 56 5.745 -7.023 -0.434 1.00 0.00 O ATOM 838 CB ALA A 56 6.439 -9.539 -1.509 1.00 0.00 C ATOM 0 H ALA A 56 4.686 -8.242 -3.293 1.00 0.00 H new ATOM 0 HA ALA A 56 4.437 -9.807 -0.783 1.00 0.00 H new ATOM 0 HB1 ALA A 56 6.878 -9.564 -0.511 1.00 0.00 H new ATOM 0 HB2 ALA A 56 6.490 -10.533 -1.953 1.00 0.00 H new ATOM 0 HB3 ALA A 56 6.992 -8.835 -2.131 1.00 0.00 H new ATOM 844 N PRO A 57 3.529 -7.370 -0.345 1.00 0.00 N ATOM 845 CA PRO A 57 3.241 -6.065 0.245 1.00 0.00 C ATOM 846 C PRO A 57 3.788 -5.959 1.675 1.00 0.00 C ATOM 847 O PRO A 57 4.305 -4.920 2.072 1.00 0.00 O ATOM 848 CB PRO A 57 1.720 -5.919 0.158 1.00 0.00 C ATOM 849 CG PRO A 57 1.205 -7.358 0.181 1.00 0.00 C ATOM 850 CD PRO A 57 2.295 -8.111 -0.578 1.00 0.00 C ATOM 0 HA PRO A 57 3.734 -5.249 -0.283 1.00 0.00 H new ATOM 0 HB2 PRO A 57 1.327 -5.341 0.995 1.00 0.00 H new ATOM 0 HB3 PRO A 57 1.421 -5.403 -0.754 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.088 -7.731 1.199 1.00 0.00 H new ATOM 0 HG3 PRO A 57 0.234 -7.449 -0.306 1.00 0.00 H new ATOM 0 HD2 PRO A 57 2.382 -9.137 -0.221 1.00 0.00 H new ATOM 0 HD3 PRO A 57 2.065 -8.163 -1.642 1.00 0.00 H new ATOM 858 N HIS A 58 3.762 -7.058 2.436 1.00 0.00 N ATOM 859 CA HIS A 58 4.337 -7.149 3.785 1.00 0.00 C ATOM 860 C HIS A 58 5.879 -7.145 3.799 1.00 0.00 C ATOM 861 O HIS A 58 6.468 -6.730 4.794 1.00 0.00 O ATOM 862 CB HIS A 58 3.757 -8.384 4.498 1.00 0.00 C ATOM 863 CG HIS A 58 4.136 -9.699 3.856 1.00 0.00 C ATOM 864 ND1 HIS A 58 3.430 -10.364 2.866 1.00 0.00 N ATOM 865 CD2 HIS A 58 5.260 -10.425 4.139 1.00 0.00 C ATOM 866 CE1 HIS A 58 4.141 -11.460 2.526 1.00 0.00 C ATOM 867 NE2 HIS A 58 5.249 -11.523 3.296 1.00 0.00 N ATOM 0 H HIS A 58 3.331 -7.929 2.126 1.00 0.00 H new ATOM 0 HA HIS A 58 4.054 -6.248 4.330 1.00 0.00 H new ATOM 0 HB2 HIS A 58 4.097 -8.386 5.534 1.00 0.00 H new ATOM 0 HB3 HIS A 58 2.670 -8.302 4.519 1.00 0.00 H new ATOM 0 HD2 HIS A 58 6.011 -10.187 4.878 1.00 0.00 H new ATOM 0 HE1 HIS A 58 3.868 -12.172 1.761 1.00 0.00 H new ATOM 0 HE2 HIS A 58 5.958 -12.256 3.262 1.00 0.00 H new ATOM 876 N SER A 59 6.541 -7.554 2.707 1.00 0.00 N ATOM 877 CA SER A 59 8.013 -7.613 2.580 1.00 0.00 C ATOM 878 C SER A 59 8.683 -6.240 2.748 1.00 0.00 C ATOM 879 O SER A 59 9.680 -6.116 3.463 1.00 0.00 O ATOM 880 CB SER A 59 8.401 -8.226 1.228 1.00 0.00 C ATOM 881 OG SER A 59 9.806 -8.232 1.035 1.00 0.00 O ATOM 0 H SER A 59 6.059 -7.862 1.863 1.00 0.00 H new ATOM 0 HA SER A 59 8.376 -8.244 3.391 1.00 0.00 H new ATOM 0 HB2 SER A 59 8.022 -9.246 1.170 1.00 0.00 H new ATOM 0 HB3 SER A 59 7.926 -7.663 0.424 1.00 0.00 H new ATOM 0 HG SER A 59 10.015 -8.631 0.165 1.00 0.00 H new ATOM 887 N VAL A 60 8.107 -5.187 2.150 1.00 0.00 N ATOM 888 CA VAL A 60 8.572 -3.789 2.306 1.00 0.00 C ATOM 889 C VAL A 60 8.330 -3.217 3.718 1.00 0.00 C ATOM 890 O VAL A 60 8.902 -2.189 4.082 1.00 0.00 O ATOM 891 CB VAL A 60 7.933 -2.905 1.211 1.00 0.00 C ATOM 892 CG1 VAL A 60 6.432 -2.662 1.423 1.00 0.00 C ATOM 893 CG2 VAL A 60 8.637 -1.557 1.022 1.00 0.00 C ATOM 0 H VAL A 60 7.297 -5.276 1.537 1.00 0.00 H new ATOM 0 HA VAL A 60 9.655 -3.788 2.182 1.00 0.00 H new ATOM 0 HB VAL A 60 8.065 -3.491 0.301 1.00 0.00 H new ATOM 0 HG11 VAL A 60 6.048 -2.034 0.619 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.905 -3.616 1.422 1.00 0.00 H new ATOM 0 HG13 VAL A 60 6.276 -2.163 2.379 1.00 0.00 H new ATOM 0 HG21 VAL A 60 8.134 -0.991 0.238 1.00 0.00 H new ATOM 0 HG22 VAL A 60 8.602 -0.995 1.955 1.00 0.00 H new ATOM 0 HG23 VAL A 60 9.676 -1.726 0.738 1.00 0.00 H new ATOM 903 N GLY A 61 7.498 -3.882 4.530 1.00 0.00 N ATOM 904 CA GLY A 61 7.073 -3.449 5.866 1.00 0.00 C ATOM 905 C GLY A 61 5.686 -2.784 5.920 1.00 0.00 C ATOM 906 O GLY A 61 5.301 -2.289 6.980 1.00 0.00 O ATOM 0 H GLY A 61 7.085 -4.775 4.261 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.071 -4.314 6.529 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.811 -2.749 6.257 1.00 0.00 H new ATOM 910 N LEU A 62 4.927 -2.760 4.813 1.00 0.00 N ATOM 911 CA LEU A 62 3.551 -2.247 4.772 1.00 0.00 C ATOM 912 C LEU A 62 2.577 -3.244 5.423 1.00 0.00 C ATOM 913 O LEU A 62 2.433 -4.374 4.948 1.00 0.00 O ATOM 914 CB LEU A 62 3.114 -1.944 3.324 1.00 0.00 C ATOM 915 CG LEU A 62 1.740 -1.232 3.295 1.00 0.00 C ATOM 916 CD1 LEU A 62 1.891 0.275 3.482 1.00 0.00 C ATOM 917 CD2 LEU A 62 0.960 -1.500 2.015 1.00 0.00 C ATOM 0 H LEU A 62 5.257 -3.101 3.910 1.00 0.00 H new ATOM 0 HA LEU A 62 3.528 -1.316 5.339 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.862 -1.317 2.838 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.058 -2.872 2.756 1.00 0.00 H new ATOM 0 HG LEU A 62 1.175 -1.651 4.128 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.908 0.745 3.457 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.365 0.477 4.443 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.508 0.681 2.680 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.006 -0.974 2.054 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.534 -1.147 1.158 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.781 -2.571 1.916 1.00 0.00 H new ATOM 929 N ARG A 63 1.883 -2.823 6.487 1.00 0.00 N ATOM 930 CA ARG A 63 0.845 -3.613 7.181 1.00 0.00 C ATOM 931 C ARG A 63 -0.353 -2.749 7.594 1.00 0.00 C ATOM 932 O ARG A 63 -0.249 -1.523 7.636 1.00 0.00 O ATOM 933 CB ARG A 63 1.454 -4.310 8.412 1.00 0.00 C ATOM 934 CG ARG A 63 2.614 -5.255 8.060 1.00 0.00 C ATOM 935 CD ARG A 63 3.105 -5.996 9.308 1.00 0.00 C ATOM 936 NE ARG A 63 3.712 -7.295 8.960 1.00 0.00 N ATOM 937 CZ ARG A 63 3.923 -8.307 9.783 1.00 0.00 C ATOM 938 NH1 ARG A 63 3.716 -8.204 11.065 1.00 0.00 N ATOM 939 NH2 ARG A 63 4.340 -9.454 9.331 1.00 0.00 N ATOM 0 H ARG A 63 2.027 -1.903 6.903 1.00 0.00 H new ATOM 0 HA ARG A 63 0.476 -4.365 6.483 1.00 0.00 H new ATOM 0 HB2 ARG A 63 1.810 -3.553 9.111 1.00 0.00 H new ATOM 0 HB3 ARG A 63 0.675 -4.876 8.924 1.00 0.00 H new ATOM 0 HG2 ARG A 63 2.289 -5.974 7.308 1.00 0.00 H new ATOM 0 HG3 ARG A 63 3.434 -4.685 7.623 1.00 0.00 H new ATOM 0 HD2 ARG A 63 3.835 -5.381 9.834 1.00 0.00 H new ATOM 0 HD3 ARG A 63 2.270 -6.154 9.991 1.00 0.00 H new ATOM 0 HE ARG A 63 3.997 -7.424 7.989 1.00 0.00 H new ATOM 0 HH11 ARG A 63 3.382 -7.324 11.459 1.00 0.00 H new ATOM 0 HH12 ARG A 63 3.888 -9.003 11.675 1.00 0.00 H new ATOM 0 HH21 ARG A 63 4.507 -9.578 8.333 1.00 0.00 H new ATOM 0 HH22 ARG A 63 4.500 -10.229 9.975 1.00 0.00 H new ATOM 953 N LYS A 64 -1.485 -3.379 7.921 1.00 0.00 N ATOM 954 CA LYS A 64 -2.698 -2.715 8.439 1.00 0.00 C ATOM 955 C LYS A 64 -2.404 -2.089 9.809 1.00 0.00 C ATOM 956 O LYS A 64 -1.877 -2.765 10.696 1.00 0.00 O ATOM 957 CB LYS A 64 -3.868 -3.714 8.527 1.00 0.00 C ATOM 958 CG LYS A 64 -4.233 -4.310 7.156 1.00 0.00 C ATOM 959 CD LYS A 64 -5.307 -5.407 7.228 1.00 0.00 C ATOM 960 CE LYS A 64 -6.658 -4.910 6.699 1.00 0.00 C ATOM 961 NZ LYS A 64 -7.679 -5.989 6.724 1.00 0.00 N ATOM 0 H LYS A 64 -1.592 -4.390 7.833 1.00 0.00 H new ATOM 0 HA LYS A 64 -2.990 -1.922 7.751 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -3.604 -4.520 9.212 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -4.740 -3.212 8.946 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -4.585 -3.511 6.504 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -3.334 -4.723 6.698 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -4.984 -6.272 6.648 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -5.420 -5.740 8.260 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -7.000 -4.069 7.302 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -6.539 -4.543 5.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -8.581 -5.622 6.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -7.362 -6.781 6.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -7.809 -6.321 7.701 1.00 0.00 H new ATOM 975 N ALA A 65 -2.701 -0.801 9.971 1.00 0.00 N ATOM 976 CA ALA A 65 -2.579 -0.089 11.242 1.00 0.00 C ATOM 977 C ALA A 65 -3.712 -0.496 12.212 1.00 0.00 C ATOM 978 O ALA A 65 -4.616 -1.259 11.857 1.00 0.00 O ATOM 979 CB ALA A 65 -2.578 1.423 10.966 1.00 0.00 C ATOM 0 H ALA A 65 -3.039 -0.213 9.210 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.641 -0.358 11.727 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -2.487 1.965 11.908 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.737 1.674 10.320 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.509 1.704 10.474 1.00 0.00 H new ATOM 985 N LEU A 66 -3.676 0.024 13.442 1.00 0.00 N ATOM 986 CA LEU A 66 -4.684 -0.243 14.472 1.00 0.00 C ATOM 987 C LEU A 66 -4.833 0.971 15.404 1.00 0.00 C ATOM 988 O LEU A 66 -3.860 1.399 16.032 1.00 0.00 O ATOM 989 CB LEU A 66 -4.294 -1.529 15.238 1.00 0.00 C ATOM 990 CG LEU A 66 -5.453 -2.546 15.359 1.00 0.00 C ATOM 991 CD1 LEU A 66 -5.137 -3.830 14.588 1.00 0.00 C ATOM 992 CD2 LEU A 66 -5.722 -2.912 16.818 1.00 0.00 C ATOM 0 H LEU A 66 -2.935 0.651 13.755 1.00 0.00 H new ATOM 0 HA LEU A 66 -5.658 -0.405 14.011 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.454 -2.005 14.731 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.952 -1.259 16.237 1.00 0.00 H new ATOM 0 HG LEU A 66 -6.337 -2.069 14.936 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -5.967 -4.529 14.689 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.987 -3.594 13.534 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -4.231 -4.283 14.991 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -6.542 -3.628 16.868 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -4.826 -3.355 17.253 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -5.990 -2.014 17.375 1.00 0.00 H new ATOM 1004 N ALA A 67 -6.034 1.552 15.469 1.00 0.00 N ATOM 1005 CA ALA A 67 -6.338 2.663 16.376 1.00 0.00 C ATOM 1006 C ALA A 67 -6.293 2.215 17.863 1.00 0.00 C ATOM 1007 O ALA A 67 -6.425 1.015 18.145 1.00 0.00 O ATOM 1008 CB ALA A 67 -7.709 3.251 15.992 1.00 0.00 C ATOM 0 H ALA A 67 -6.825 1.265 14.893 1.00 0.00 H new ATOM 0 HA ALA A 67 -5.577 3.436 16.272 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -7.949 4.079 16.659 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -7.675 3.611 14.964 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -8.474 2.480 16.082 1.00 0.00 H new ATOM 1014 N PRO A 68 -6.143 3.143 18.830 1.00 0.00 N ATOM 1015 CA PRO A 68 -6.190 2.819 20.258 1.00 0.00 C ATOM 1016 C PRO A 68 -7.606 2.422 20.722 1.00 0.00 C ATOM 1017 O PRO A 68 -8.597 2.602 20.009 1.00 0.00 O ATOM 1018 CB PRO A 68 -5.678 4.079 20.967 1.00 0.00 C ATOM 1019 CG PRO A 68 -6.080 5.206 20.019 1.00 0.00 C ATOM 1020 CD PRO A 68 -5.916 4.570 18.640 1.00 0.00 C ATOM 0 HA PRO A 68 -5.578 1.948 20.493 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -6.133 4.200 21.950 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -4.599 4.045 21.117 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -7.105 5.533 20.193 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -5.441 6.081 20.138 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -6.629 4.988 17.930 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -4.920 4.757 18.239 1.00 0.00 H new ATOM 1028 N GLU A 69 -7.706 1.912 21.951 1.00 0.00 N ATOM 1029 CA GLU A 69 -8.958 1.513 22.613 1.00 0.00 C ATOM 1030 C GLU A 69 -9.173 2.341 23.896 1.00 0.00 C ATOM 1031 O GLU A 69 -8.290 2.412 24.759 1.00 0.00 O ATOM 1032 CB GLU A 69 -8.943 -0.004 22.914 1.00 0.00 C ATOM 1033 CG GLU A 69 -10.127 -0.785 22.311 1.00 0.00 C ATOM 1034 CD GLU A 69 -9.707 -1.705 21.143 1.00 0.00 C ATOM 1035 OE1 GLU A 69 -8.915 -2.654 21.362 1.00 0.00 O ATOM 1036 OE2 GLU A 69 -10.204 -1.516 20.005 1.00 0.00 O ATOM 0 H GLU A 69 -6.887 1.758 22.539 1.00 0.00 H new ATOM 0 HA GLU A 69 -9.795 1.713 21.944 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -8.013 -0.428 22.535 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.942 -0.148 23.995 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.594 -1.386 23.091 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.880 -0.080 21.959 1.00 0.00 H new ATOM 1043 N GLU A 70 -10.335 2.999 24.009 1.00 0.00 N ATOM 1044 CA GLU A 70 -10.778 3.766 25.196 1.00 0.00 C ATOM 1045 C GLU A 70 -11.317 2.880 26.352 1.00 0.00 C ATOM 1046 O GLU A 70 -11.164 1.636 26.311 1.00 0.00 O ATOM 1047 CB GLU A 70 -11.818 4.822 24.760 1.00 0.00 C ATOM 1048 CG GLU A 70 -11.274 5.838 23.739 1.00 0.00 C ATOM 1049 CD GLU A 70 -12.267 7.002 23.515 1.00 0.00 C ATOM 1050 OE1 GLU A 70 -13.343 6.792 22.901 1.00 0.00 O ATOM 1051 OE2 GLU A 70 -11.978 8.150 23.942 1.00 0.00 O ATOM 1052 OXT GLU A 70 -11.884 3.432 27.323 1.00 0.00 O ATOM 0 H GLU A 70 -11.021 3.016 23.254 1.00 0.00 H new ATOM 0 HA GLU A 70 -9.899 4.260 25.610 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -12.681 4.314 24.330 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -12.170 5.358 25.641 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -10.321 6.234 24.090 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -11.081 5.335 22.791 1.00 0.00 H new TER 1059 GLU A 70