USER MOD reduce.3.24.130724 H: found=0, std=0, add=501, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 497 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 50 THR OG1 : rot -82:sc= 1.24 USER MOD Set 1.2: A 55 THR OG1 : rot 180:sc= 1.14 USER MOD Set 2.1: A 30 THR OG1 : rot 180:sc= 0.00225 USER MOD Set 2.2: A 33 THR OG1 : rot 91:sc= 1.23 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 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 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -154:sc= -0.212 (180deg=-0.84) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 135:sc= -5.52! USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HD1:sc= -0.271 K(o=-0.27,f=-4.2!) USER MOD Single : A 25 SER OG : rot 180:sc= -1.21 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.769 K(o=-0.77,f=-2.5) USER MOD Single : A 39 HIS : no HD1:sc= -5.51! C(o=-5.5!,f=-4.9!) USER MOD Single : A 41 SER OG : rot -111:sc= -3.08! USER MOD Single : A 42 GLN : amide:sc= -0.941 K(o=-0.94,f=-2.4!) USER MOD Single : A 52 ASN : amide:sc= -0.033 K(o=-0.033,f=-1.6!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= 0.124 K(o=0.12,f=-1.4!) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 19.541 -0.760 16.111 1.00 0.00 N ATOM 2 CA GLY A 1 19.626 -1.805 15.105 1.00 0.00 C ATOM 3 C GLY A 1 18.413 -2.734 15.177 1.00 0.00 C ATOM 4 O GLY A 1 17.368 -2.444 14.596 1.00 0.00 O ATOM 0 H1 GLY A 1 20.375 -0.143 16.042 1.00 0.00 H new ATOM 0 H2 GLY A 1 18.680 -0.197 15.955 1.00 0.00 H new ATOM 0 H3 GLY A 1 19.507 -1.191 17.057 1.00 0.00 H new ATOM 0 HA2 GLY A 1 19.687 -1.356 14.113 1.00 0.00 H new ATOM 0 HA3 GLY A 1 20.539 -2.382 15.250 1.00 0.00 H new ATOM 8 N SER A 2 18.591 -3.834 15.895 1.00 0.00 N ATOM 9 CA SER A 2 17.524 -4.808 16.050 1.00 0.00 C ATOM 10 C SER A 2 17.140 -5.385 14.686 1.00 0.00 C ATOM 11 O SER A 2 16.475 -4.722 13.892 1.00 0.00 O ATOM 12 CB SER A 2 16.302 -4.182 16.725 1.00 0.00 C ATOM 13 OG SER A 2 16.390 -4.238 18.146 1.00 0.00 O ATOM 0 H SER A 2 19.459 -4.072 16.376 1.00 0.00 H new ATOM 0 HA SER A 2 17.886 -5.614 16.689 1.00 0.00 H new ATOM 0 HB2 SER A 2 16.205 -3.143 16.408 1.00 0.00 H new ATOM 0 HB3 SER A 2 15.401 -4.701 16.397 1.00 0.00 H new ATOM 0 HG SER A 2 15.592 -3.827 18.540 1.00 0.00 H new ATOM 19 N SER A 3 17.576 -6.615 14.456 1.00 0.00 N ATOM 20 CA SER A 3 17.286 -7.290 13.203 1.00 0.00 C ATOM 21 C SER A 3 16.268 -8.409 13.433 1.00 0.00 C ATOM 22 O SER A 3 16.101 -8.878 14.558 1.00 0.00 O ATOM 23 CB SER A 3 18.561 -7.853 12.573 1.00 0.00 C ATOM 24 OG SER A 3 19.385 -6.828 12.025 1.00 0.00 O ATOM 0 H SER A 3 18.128 -7.162 15.117 1.00 0.00 H new ATOM 0 HA SER A 3 16.863 -6.561 12.512 1.00 0.00 H new ATOM 0 HB2 SER A 3 19.123 -8.406 13.325 1.00 0.00 H new ATOM 0 HB3 SER A 3 18.295 -8.562 11.789 1.00 0.00 H new ATOM 0 HG SER A 3 20.189 -7.229 11.634 1.00 0.00 H new ATOM 30 N GLY A 4 15.616 -8.804 12.350 1.00 0.00 N ATOM 31 CA GLY A 4 14.619 -9.859 12.420 1.00 0.00 C ATOM 32 C GLY A 4 14.562 -10.647 11.110 1.00 0.00 C ATOM 33 O GLY A 4 14.479 -10.061 10.032 1.00 0.00 O ATOM 0 H GLY A 4 15.758 -8.413 11.419 1.00 0.00 H new ATOM 0 HA2 GLY A 4 14.854 -10.533 13.244 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.641 -9.427 12.631 1.00 0.00 H new ATOM 37 N SER A 5 14.608 -11.964 11.247 1.00 0.00 N ATOM 38 CA SER A 5 14.562 -12.839 10.088 1.00 0.00 C ATOM 39 C SER A 5 13.815 -14.128 10.434 1.00 0.00 C ATOM 40 O SER A 5 14.407 -15.073 10.953 1.00 0.00 O ATOM 41 CB SER A 5 15.971 -13.161 9.585 1.00 0.00 C ATOM 42 OG SER A 5 16.312 -12.402 8.428 1.00 0.00 O ATOM 0 H SER A 5 14.677 -12.446 12.143 1.00 0.00 H new ATOM 0 HA SER A 5 14.030 -12.321 9.290 1.00 0.00 H new ATOM 0 HB2 SER A 5 16.693 -12.960 10.376 1.00 0.00 H new ATOM 0 HB3 SER A 5 16.039 -14.224 9.354 1.00 0.00 H new ATOM 0 HG SER A 5 17.219 -12.635 8.139 1.00 0.00 H new ATOM 48 N SER A 6 12.525 -14.126 10.133 1.00 0.00 N ATOM 49 CA SER A 6 11.690 -15.283 10.406 1.00 0.00 C ATOM 50 C SER A 6 10.321 -15.109 9.745 1.00 0.00 C ATOM 51 O SER A 6 9.907 -15.939 8.938 1.00 0.00 O ATOM 52 CB SER A 6 11.530 -15.504 11.911 1.00 0.00 C ATOM 53 OG SER A 6 12.104 -16.737 12.334 1.00 0.00 O ATOM 0 H SER A 6 12.037 -13.341 9.702 1.00 0.00 H new ATOM 0 HA SER A 6 12.178 -16.163 9.987 1.00 0.00 H new ATOM 0 HB2 SER A 6 12.000 -14.682 12.450 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.471 -15.490 12.169 1.00 0.00 H new ATOM 0 HG SER A 6 11.982 -16.840 13.301 1.00 0.00 H new ATOM 59 N GLY A 7 9.656 -14.024 10.113 1.00 0.00 N ATOM 60 CA GLY A 7 8.342 -13.730 9.567 1.00 0.00 C ATOM 61 C GLY A 7 7.274 -13.761 10.662 1.00 0.00 C ATOM 62 O GLY A 7 7.563 -14.103 11.807 1.00 0.00 O ATOM 0 H GLY A 7 10.003 -13.337 10.783 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.353 -12.749 9.092 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.095 -14.456 8.793 1.00 0.00 H new ATOM 66 N THR A 8 6.061 -13.399 10.270 1.00 0.00 N ATOM 67 CA THR A 8 4.948 -13.382 11.204 1.00 0.00 C ATOM 68 C THR A 8 3.740 -14.107 10.608 1.00 0.00 C ATOM 69 O THR A 8 3.629 -14.239 9.390 1.00 0.00 O ATOM 70 CB THR A 8 4.661 -11.924 11.570 1.00 0.00 C ATOM 71 OG1 THR A 8 4.598 -11.256 10.313 1.00 0.00 O ATOM 72 CG2 THR A 8 5.837 -11.258 12.288 1.00 0.00 C ATOM 0 H THR A 8 5.825 -13.115 9.319 1.00 0.00 H new ATOM 0 HA THR A 8 5.192 -13.921 12.119 1.00 0.00 H new ATOM 0 HB THR A 8 3.775 -11.877 12.204 1.00 0.00 H new ATOM 0 HG1 THR A 8 4.413 -10.304 10.457 1.00 0.00 H new ATOM 0 HG21 THR A 8 5.581 -10.225 12.525 1.00 0.00 H new ATOM 0 HG22 THR A 8 6.054 -11.799 13.209 1.00 0.00 H new ATOM 0 HG23 THR A 8 6.715 -11.275 11.642 1.00 0.00 H new ATOM 80 N PRO A 9 2.842 -14.571 11.517 1.00 0.00 N ATOM 81 CA PRO A 9 1.646 -15.280 11.094 1.00 0.00 C ATOM 82 C PRO A 9 0.612 -14.313 10.514 1.00 0.00 C ATOM 83 O PRO A 9 -0.504 -14.215 11.022 1.00 0.00 O ATOM 84 CB PRO A 9 1.154 -16.000 12.339 1.00 0.00 C ATOM 85 CG PRO A 9 1.818 -15.302 13.514 1.00 0.00 C ATOM 86 CD PRO A 9 2.940 -14.434 12.967 1.00 0.00 C ATOM 0 HA PRO A 9 1.840 -15.990 10.290 1.00 0.00 H new ATOM 0 HB2 PRO A 9 0.068 -15.948 12.417 1.00 0.00 H new ATOM 0 HB3 PRO A 9 1.421 -17.056 12.310 1.00 0.00 H new ATOM 0 HG2 PRO A 9 1.094 -14.693 14.055 1.00 0.00 H new ATOM 0 HG3 PRO A 9 2.211 -16.033 14.220 1.00 0.00 H new ATOM 0 HD2 PRO A 9 2.823 -13.395 13.275 1.00 0.00 H new ATOM 0 HD3 PRO A 9 3.912 -14.767 13.331 1.00 0.00 H new ATOM 94 N PHE A 10 1.019 -13.624 9.458 1.00 0.00 N ATOM 95 CA PHE A 10 0.142 -12.669 8.804 1.00 0.00 C ATOM 96 C PHE A 10 0.378 -12.653 7.292 1.00 0.00 C ATOM 97 O PHE A 10 1.346 -13.235 6.806 1.00 0.00 O ATOM 98 CB PHE A 10 0.477 -11.289 9.375 1.00 0.00 C ATOM 99 CG PHE A 10 0.482 -11.233 10.904 1.00 0.00 C ATOM 100 CD1 PHE A 10 -0.602 -11.664 11.603 1.00 0.00 C ATOM 101 CD2 PHE A 10 1.569 -10.752 11.563 1.00 0.00 C ATOM 102 CE1 PHE A 10 -0.598 -11.612 13.022 1.00 0.00 C ATOM 103 CE2 PHE A 10 1.574 -10.699 12.982 1.00 0.00 C ATOM 104 CZ PHE A 10 0.490 -11.130 13.682 1.00 0.00 C ATOM 0 H PHE A 10 1.945 -13.709 9.039 1.00 0.00 H new ATOM 0 HA PHE A 10 -0.899 -12.940 8.979 1.00 0.00 H new ATOM 0 HB2 PHE A 10 1.456 -10.983 9.007 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -0.246 -10.566 8.997 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -1.466 -12.046 11.079 1.00 0.00 H new ATOM 0 HD2 PHE A 10 2.429 -10.410 11.007 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -1.458 -11.955 13.577 1.00 0.00 H new ATOM 0 HE2 PHE A 10 2.438 -10.317 13.505 1.00 0.00 H new ATOM 0 HZ PHE A 10 0.493 -11.090 14.761 1.00 0.00 H new ATOM 114 N ARG A 11 -0.524 -11.981 6.592 1.00 0.00 N ATOM 115 CA ARG A 11 -0.426 -11.882 5.145 1.00 0.00 C ATOM 116 C ARG A 11 0.388 -10.647 4.752 1.00 0.00 C ATOM 117 O ARG A 11 0.626 -9.767 5.577 1.00 0.00 O ATOM 118 CB ARG A 11 -1.812 -11.797 4.504 1.00 0.00 C ATOM 119 CG ARG A 11 -2.358 -13.191 4.190 1.00 0.00 C ATOM 120 CD ARG A 11 -2.234 -13.505 2.697 1.00 0.00 C ATOM 121 NE ARG A 11 -0.871 -13.995 2.394 1.00 0.00 N ATOM 122 CZ ARG A 11 -0.382 -15.167 2.821 1.00 0.00 C ATOM 123 NH1 ARG A 11 -1.142 -15.976 3.572 1.00 0.00 N ATOM 124 NH2 ARG A 11 0.866 -15.530 2.497 1.00 0.00 N ATOM 0 H ARG A 11 -1.326 -11.500 6.999 1.00 0.00 H new ATOM 0 HA ARG A 11 0.074 -12.781 4.784 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -2.496 -11.278 5.175 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -1.757 -11.209 3.588 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -1.814 -13.937 4.769 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -3.403 -13.253 4.493 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -2.971 -14.256 2.413 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -2.447 -12.611 2.110 1.00 0.00 H new ATOM 0 HE ARG A 11 -0.266 -13.404 1.824 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -2.092 -15.699 3.818 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -0.770 -16.868 3.897 1.00 0.00 H new ATOM 0 HH21 ARG A 11 1.444 -14.914 1.925 1.00 0.00 H new ATOM 0 HH22 ARG A 11 1.238 -16.422 2.822 1.00 0.00 H new ATOM 138 N LYS A 12 0.792 -10.622 3.490 1.00 0.00 N ATOM 139 CA LYS A 12 1.573 -9.510 2.977 1.00 0.00 C ATOM 140 C LYS A 12 1.097 -9.166 1.564 1.00 0.00 C ATOM 141 O LYS A 12 0.662 -10.044 0.821 1.00 0.00 O ATOM 142 CB LYS A 12 3.069 -9.821 3.063 1.00 0.00 C ATOM 143 CG LYS A 12 3.537 -9.866 4.519 1.00 0.00 C ATOM 144 CD LYS A 12 4.828 -10.677 4.655 1.00 0.00 C ATOM 145 CE LYS A 12 4.635 -12.105 4.141 1.00 0.00 C ATOM 146 NZ LYS A 12 5.566 -13.031 4.823 1.00 0.00 N ATOM 0 H LYS A 12 0.593 -11.354 2.808 1.00 0.00 H new ATOM 0 HA LYS A 12 1.419 -8.622 3.590 1.00 0.00 H new ATOM 0 HB2 LYS A 12 3.273 -10.777 2.582 1.00 0.00 H new ATOM 0 HB3 LYS A 12 3.633 -9.064 2.519 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.700 -8.852 4.884 1.00 0.00 H new ATOM 0 HG3 LYS A 12 2.759 -10.307 5.142 1.00 0.00 H new ATOM 0 HD2 LYS A 12 5.628 -10.191 4.096 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.138 -10.701 5.700 1.00 0.00 H new ATOM 0 HE2 LYS A 12 3.606 -12.423 4.311 1.00 0.00 H new ATOM 0 HE3 LYS A 12 4.805 -12.137 3.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 5.422 -13.996 4.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 6.546 -12.736 4.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 5.385 -13.013 5.847 1.00 0.00 H new ATOM 160 N ALA A 13 1.195 -7.886 1.236 1.00 0.00 N ATOM 161 CA ALA A 13 0.779 -7.415 -0.074 1.00 0.00 C ATOM 162 C ALA A 13 1.924 -6.628 -0.715 1.00 0.00 C ATOM 163 O ALA A 13 2.791 -6.106 -0.015 1.00 0.00 O ATOM 164 CB ALA A 13 -0.497 -6.582 0.064 1.00 0.00 C ATOM 0 H ALA A 13 1.557 -7.160 1.855 1.00 0.00 H new ATOM 0 HA ALA A 13 0.549 -8.255 -0.729 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.809 -6.229 -0.919 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.287 -7.196 0.497 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.305 -5.727 0.713 1.00 0.00 H new ATOM 170 N LYS A 14 1.889 -6.566 -2.038 1.00 0.00 N ATOM 171 CA LYS A 14 2.913 -5.851 -2.781 1.00 0.00 C ATOM 172 C LYS A 14 2.256 -4.745 -3.610 1.00 0.00 C ATOM 173 O LYS A 14 1.345 -5.010 -4.393 1.00 0.00 O ATOM 174 CB LYS A 14 3.752 -6.825 -3.609 1.00 0.00 C ATOM 175 CG LYS A 14 4.591 -6.079 -4.650 1.00 0.00 C ATOM 176 CD LYS A 14 4.089 -6.365 -6.066 1.00 0.00 C ATOM 177 CE LYS A 14 4.888 -7.499 -6.712 1.00 0.00 C ATOM 178 NZ LYS A 14 6.309 -7.114 -6.858 1.00 0.00 N ATOM 0 H LYS A 14 1.168 -6.999 -2.615 1.00 0.00 H new ATOM 0 HA LYS A 14 3.611 -5.366 -2.099 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.407 -7.397 -2.951 1.00 0.00 H new ATOM 0 HB3 LYS A 14 3.098 -7.540 -4.108 1.00 0.00 H new ATOM 0 HG2 LYS A 14 4.550 -5.007 -4.455 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.635 -6.379 -4.563 1.00 0.00 H new ATOM 0 HD2 LYS A 14 3.033 -6.632 -6.034 1.00 0.00 H new ATOM 0 HD3 LYS A 14 4.172 -5.464 -6.674 1.00 0.00 H new ATOM 0 HE2 LYS A 14 4.810 -8.400 -6.103 1.00 0.00 H new ATOM 0 HE3 LYS A 14 4.467 -7.737 -7.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 6.733 -7.644 -7.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 6.374 -6.094 -7.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 6.820 -7.333 -5.979 1.00 0.00 H new ATOM 192 N ALA A 15 2.744 -3.530 -3.409 1.00 0.00 N ATOM 193 CA ALA A 15 2.216 -2.383 -4.129 1.00 0.00 C ATOM 194 C ALA A 15 2.415 -2.594 -5.631 1.00 0.00 C ATOM 195 O ALA A 15 3.442 -3.120 -6.057 1.00 0.00 O ATOM 196 CB ALA A 15 2.893 -1.108 -3.624 1.00 0.00 C ATOM 0 H ALA A 15 3.499 -3.314 -2.758 1.00 0.00 H new ATOM 0 HA ALA A 15 1.146 -2.276 -3.950 1.00 0.00 H new ATOM 0 HB1 ALA A 15 2.497 -0.248 -4.164 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.697 -0.989 -2.558 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.968 -1.177 -3.789 1.00 0.00 H new ATOM 202 N LEU A 16 1.416 -2.172 -6.393 1.00 0.00 N ATOM 203 CA LEU A 16 1.469 -2.307 -7.839 1.00 0.00 C ATOM 204 C LEU A 16 2.036 -1.023 -8.447 1.00 0.00 C ATOM 205 O LEU A 16 2.915 -1.075 -9.306 1.00 0.00 O ATOM 206 CB LEU A 16 0.095 -2.694 -8.391 1.00 0.00 C ATOM 207 CG LEU A 16 -0.397 -4.100 -8.040 1.00 0.00 C ATOM 208 CD1 LEU A 16 -1.881 -4.262 -8.377 1.00 0.00 C ATOM 209 CD2 LEU A 16 0.464 -5.167 -8.719 1.00 0.00 C ATOM 0 H LEU A 16 0.565 -1.737 -6.036 1.00 0.00 H new ATOM 0 HA LEU A 16 2.141 -3.117 -8.121 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.637 -1.973 -8.027 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.122 -2.600 -9.477 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.294 -4.239 -6.964 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.205 -5.270 -8.118 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.464 -3.536 -7.810 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.032 -4.095 -9.444 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.093 -6.157 -8.453 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.416 -5.040 -9.800 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.497 -5.066 -8.388 1.00 0.00 H new ATOM 221 N TYR A 17 1.511 0.099 -7.977 1.00 0.00 N ATOM 222 CA TYR A 17 1.954 1.394 -8.463 1.00 0.00 C ATOM 223 C TYR A 17 2.324 2.319 -7.302 1.00 0.00 C ATOM 224 O TYR A 17 1.773 2.199 -6.209 1.00 0.00 O ATOM 225 CB TYR A 17 0.764 1.991 -9.217 1.00 0.00 C ATOM 226 CG TYR A 17 0.132 1.041 -10.236 1.00 0.00 C ATOM 227 CD1 TYR A 17 -0.806 0.116 -9.827 1.00 0.00 C ATOM 228 CD2 TYR A 17 0.501 1.110 -11.564 1.00 0.00 C ATOM 229 CE1 TYR A 17 -1.401 -0.778 -10.787 1.00 0.00 C ATOM 230 CE2 TYR A 17 -0.093 0.215 -12.524 1.00 0.00 C ATOM 231 CZ TYR A 17 -1.015 -0.685 -12.087 1.00 0.00 C ATOM 232 OH TYR A 17 -1.576 -1.529 -12.994 1.00 0.00 O ATOM 0 H TYR A 17 0.782 0.138 -7.264 1.00 0.00 H new ATOM 0 HA TYR A 17 2.837 1.286 -9.093 1.00 0.00 H new ATOM 0 HB2 TYR A 17 0.004 2.291 -8.496 1.00 0.00 H new ATOM 0 HB3 TYR A 17 1.090 2.895 -9.732 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -1.094 0.062 -8.788 1.00 0.00 H new ATOM 0 HD2 TYR A 17 1.235 1.835 -11.884 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -2.138 -1.506 -10.481 1.00 0.00 H new ATOM 0 HE2 TYR A 17 0.187 0.257 -13.566 1.00 0.00 H new ATOM 0 HH TYR A 17 -1.206 -1.347 -13.883 1.00 0.00 H new ATOM 242 N ALA A 18 3.254 3.221 -7.579 1.00 0.00 N ATOM 243 CA ALA A 18 3.703 4.166 -6.571 1.00 0.00 C ATOM 244 C ALA A 18 2.498 4.935 -6.026 1.00 0.00 C ATOM 245 O ALA A 18 1.445 4.978 -6.660 1.00 0.00 O ATOM 246 CB ALA A 18 4.761 5.092 -7.174 1.00 0.00 C ATOM 0 H ALA A 18 3.709 3.317 -8.487 1.00 0.00 H new ATOM 0 HA ALA A 18 4.166 3.643 -5.734 1.00 0.00 H new ATOM 0 HB1 ALA A 18 5.098 5.801 -6.418 1.00 0.00 H new ATOM 0 HB2 ALA A 18 5.609 4.500 -7.519 1.00 0.00 H new ATOM 0 HB3 ALA A 18 4.332 5.636 -8.015 1.00 0.00 H new ATOM 252 N CYS A 19 2.693 5.524 -4.855 1.00 0.00 N ATOM 253 CA CYS A 19 1.635 6.289 -4.217 1.00 0.00 C ATOM 254 C CYS A 19 2.281 7.386 -3.367 1.00 0.00 C ATOM 255 O CYS A 19 3.368 7.196 -2.825 1.00 0.00 O ATOM 256 CB CYS A 19 0.711 5.395 -3.388 1.00 0.00 C ATOM 257 SG CYS A 19 1.038 3.635 -3.766 1.00 0.00 S ATOM 0 H CYS A 19 3.568 5.487 -4.332 1.00 0.00 H new ATOM 0 HA CYS A 19 1.003 6.745 -4.979 1.00 0.00 H new ATOM 0 HB2 CYS A 19 0.867 5.582 -2.326 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -0.330 5.634 -3.604 1.00 0.00 H new ATOM 0 HG CYS A 19 1.099 2.957 -2.658 1.00 0.00 H new ATOM 263 N LYS A 20 1.584 8.509 -3.278 1.00 0.00 N ATOM 264 CA LYS A 20 2.075 9.636 -2.504 1.00 0.00 C ATOM 265 C LYS A 20 0.989 10.091 -1.528 1.00 0.00 C ATOM 266 O LYS A 20 0.274 11.056 -1.796 1.00 0.00 O ATOM 267 CB LYS A 20 2.574 10.746 -3.430 1.00 0.00 C ATOM 268 CG LYS A 20 3.044 11.961 -2.628 1.00 0.00 C ATOM 269 CD LYS A 20 4.357 12.512 -3.186 1.00 0.00 C ATOM 270 CE LYS A 20 4.895 13.643 -2.306 1.00 0.00 C ATOM 271 NZ LYS A 20 5.633 13.091 -1.147 1.00 0.00 N ATOM 0 H LYS A 20 0.682 8.663 -3.730 1.00 0.00 H new ATOM 0 HA LYS A 20 2.937 9.340 -1.906 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.394 10.372 -4.043 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.776 11.042 -4.111 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.279 12.737 -2.655 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.178 11.682 -1.583 1.00 0.00 H new ATOM 0 HD2 LYS A 20 5.095 11.712 -3.247 1.00 0.00 H new ATOM 0 HD3 LYS A 20 4.200 12.879 -4.200 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.553 14.286 -2.891 1.00 0.00 H new ATOM 0 HE3 LYS A 20 4.070 14.264 -1.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.991 13.871 -0.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.995 12.496 -0.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 6.432 12.517 -1.485 1.00 0.00 H new ATOM 285 N ALA A 21 0.899 9.376 -0.416 1.00 0.00 N ATOM 286 CA ALA A 21 -0.088 9.695 0.601 1.00 0.00 C ATOM 287 C ALA A 21 -0.042 11.196 0.898 1.00 0.00 C ATOM 288 O ALA A 21 0.810 11.910 0.373 1.00 0.00 O ATOM 289 CB ALA A 21 0.169 8.846 1.847 1.00 0.00 C ATOM 0 H ALA A 21 1.494 8.577 -0.197 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.092 9.459 0.248 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.572 9.086 2.610 1.00 0.00 H new ATOM 0 HB2 ALA A 21 0.095 7.790 1.589 1.00 0.00 H new ATOM 0 HB3 ALA A 21 1.167 9.057 2.231 1.00 0.00 H new ATOM 295 N GLU A 22 -0.969 11.629 1.740 1.00 0.00 N ATOM 296 CA GLU A 22 -1.045 13.031 2.113 1.00 0.00 C ATOM 297 C GLU A 22 -1.826 13.191 3.419 1.00 0.00 C ATOM 298 O GLU A 22 -1.427 13.956 4.295 1.00 0.00 O ATOM 299 CB GLU A 22 -1.672 13.863 0.993 1.00 0.00 C ATOM 300 CG GLU A 22 -0.594 14.541 0.145 1.00 0.00 C ATOM 301 CD GLU A 22 -0.798 16.057 0.108 1.00 0.00 C ATOM 302 OE1 GLU A 22 -1.920 16.470 -0.257 1.00 0.00 O ATOM 303 OE2 GLU A 22 0.172 16.769 0.446 1.00 0.00 O ATOM 0 H GLU A 22 -1.674 11.033 2.174 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.032 13.401 2.271 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.288 13.223 0.361 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.331 14.618 1.421 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.391 14.313 0.552 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -0.620 14.142 -0.869 1.00 0.00 H new ATOM 310 N HIS A 23 -2.926 12.457 3.507 1.00 0.00 N ATOM 311 CA HIS A 23 -3.766 12.508 4.691 1.00 0.00 C ATOM 312 C HIS A 23 -3.033 11.866 5.870 1.00 0.00 C ATOM 313 O HIS A 23 -2.043 11.161 5.680 1.00 0.00 O ATOM 314 CB HIS A 23 -5.128 11.865 4.419 1.00 0.00 C ATOM 315 CG HIS A 23 -5.962 11.646 5.658 1.00 0.00 C ATOM 316 ND1 HIS A 23 -6.238 12.655 6.565 1.00 0.00 N ATOM 317 CD2 HIS A 23 -6.578 10.524 6.131 1.00 0.00 C ATOM 318 CE1 HIS A 23 -6.986 12.152 7.535 1.00 0.00 C ATOM 319 NE2 HIS A 23 -7.196 10.831 7.265 1.00 0.00 N ATOM 0 H HIS A 23 -3.254 11.824 2.778 1.00 0.00 H new ATOM 0 HA HIS A 23 -3.965 13.547 4.955 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -5.684 12.496 3.726 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -4.973 10.907 3.923 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -6.565 9.551 5.662 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -7.364 12.693 8.390 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -7.738 10.186 7.840 1.00 0.00 H new ATOM 327 N ASP A 24 -3.546 12.132 7.062 1.00 0.00 N ATOM 328 CA ASP A 24 -2.952 11.589 8.271 1.00 0.00 C ATOM 329 C ASP A 24 -3.498 10.181 8.514 1.00 0.00 C ATOM 330 O ASP A 24 -4.264 9.961 9.452 1.00 0.00 O ATOM 331 CB ASP A 24 -3.300 12.448 9.489 1.00 0.00 C ATOM 332 CG ASP A 24 -2.364 13.634 9.732 1.00 0.00 C ATOM 333 OD1 ASP A 24 -1.241 13.592 9.185 1.00 0.00 O ATOM 334 OD2 ASP A 24 -2.793 14.555 10.460 1.00 0.00 O ATOM 0 H ASP A 24 -4.367 12.717 7.216 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.870 11.573 8.138 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.316 12.824 9.371 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.296 11.814 10.375 1.00 0.00 H new ATOM 339 N SER A 25 -3.083 9.263 7.654 1.00 0.00 N ATOM 340 CA SER A 25 -3.521 7.882 7.763 1.00 0.00 C ATOM 341 C SER A 25 -2.918 7.050 6.629 1.00 0.00 C ATOM 342 O SER A 25 -2.369 5.975 6.867 1.00 0.00 O ATOM 343 CB SER A 25 -5.047 7.784 7.740 1.00 0.00 C ATOM 344 OG SER A 25 -5.499 6.441 7.889 1.00 0.00 O ATOM 0 H SER A 25 -2.448 9.449 6.878 1.00 0.00 H new ATOM 0 HA SER A 25 -3.174 7.488 8.718 1.00 0.00 H new ATOM 0 HB2 SER A 25 -5.462 8.397 8.541 1.00 0.00 H new ATOM 0 HB3 SER A 25 -5.422 8.190 6.801 1.00 0.00 H new ATOM 0 HG SER A 25 -6.479 6.422 7.871 1.00 0.00 H new ATOM 350 N GLU A 26 -3.040 7.579 5.421 1.00 0.00 N ATOM 351 CA GLU A 26 -2.515 6.899 4.249 1.00 0.00 C ATOM 352 C GLU A 26 -1.007 6.680 4.395 1.00 0.00 C ATOM 353 O GLU A 26 -0.382 7.224 5.303 1.00 0.00 O ATOM 354 CB GLU A 26 -2.834 7.680 2.973 1.00 0.00 C ATOM 355 CG GLU A 26 -4.334 7.646 2.670 1.00 0.00 C ATOM 356 CD GLU A 26 -4.606 7.998 1.206 1.00 0.00 C ATOM 357 OE1 GLU A 26 -3.825 7.521 0.354 1.00 0.00 O ATOM 358 OE2 GLU A 26 -5.587 8.735 0.973 1.00 0.00 O ATOM 0 H GLU A 26 -3.495 8.471 5.228 1.00 0.00 H new ATOM 0 HA GLU A 26 -2.999 5.925 4.170 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.505 8.713 3.083 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.280 7.256 2.135 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -4.730 6.655 2.889 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -4.856 8.349 3.320 1.00 0.00 H new ATOM 365 N LEU A 27 -0.468 5.881 3.486 1.00 0.00 N ATOM 366 CA LEU A 27 0.954 5.582 3.502 1.00 0.00 C ATOM 367 C LEU A 27 1.533 5.806 2.104 1.00 0.00 C ATOM 368 O LEU A 27 0.822 5.688 1.107 1.00 0.00 O ATOM 369 CB LEU A 27 1.201 4.176 4.053 1.00 0.00 C ATOM 370 CG LEU A 27 0.417 3.802 5.312 1.00 0.00 C ATOM 371 CD1 LEU A 27 0.226 2.287 5.409 1.00 0.00 C ATOM 372 CD2 LEU A 27 1.082 4.377 6.563 1.00 0.00 C ATOM 0 H LEU A 27 -0.990 5.432 2.734 1.00 0.00 H new ATOM 0 HA LEU A 27 1.478 6.259 4.177 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.962 3.454 3.272 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.265 4.073 4.267 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.575 4.248 5.241 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.334 2.048 6.313 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.324 1.933 4.537 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.200 1.799 5.446 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.504 4.096 7.444 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.094 3.982 6.652 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.122 5.464 6.487 1.00 0.00 H new ATOM 384 N SER A 28 2.819 6.124 2.074 1.00 0.00 N ATOM 385 CA SER A 28 3.502 6.365 0.815 1.00 0.00 C ATOM 386 C SER A 28 4.540 5.270 0.565 1.00 0.00 C ATOM 387 O SER A 28 5.318 4.932 1.455 1.00 0.00 O ATOM 388 CB SER A 28 4.170 7.742 0.805 1.00 0.00 C ATOM 389 OG SER A 28 5.344 7.772 1.612 1.00 0.00 O ATOM 0 H SER A 28 3.406 6.220 2.903 1.00 0.00 H new ATOM 0 HA SER A 28 2.762 6.345 0.015 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.427 8.013 -0.219 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.464 8.490 1.165 1.00 0.00 H new ATOM 0 HG SER A 28 5.742 8.667 1.578 1.00 0.00 H new ATOM 395 N PHE A 29 4.519 4.745 -0.652 1.00 0.00 N ATOM 396 CA PHE A 29 5.448 3.695 -1.031 1.00 0.00 C ATOM 397 C PHE A 29 5.644 3.656 -2.548 1.00 0.00 C ATOM 398 O PHE A 29 4.914 4.314 -3.288 1.00 0.00 O ATOM 399 CB PHE A 29 4.836 2.369 -0.573 1.00 0.00 C ATOM 400 CG PHE A 29 3.336 2.249 -0.849 1.00 0.00 C ATOM 401 CD1 PHE A 29 2.449 2.972 -0.114 1.00 0.00 C ATOM 402 CD2 PHE A 29 2.889 1.418 -1.829 1.00 0.00 C ATOM 403 CE1 PHE A 29 1.057 2.861 -0.369 1.00 0.00 C ATOM 404 CE2 PHE A 29 1.497 1.307 -2.084 1.00 0.00 C ATOM 405 CZ PHE A 29 0.610 2.030 -1.349 1.00 0.00 C ATOM 0 H PHE A 29 3.872 5.028 -1.388 1.00 0.00 H new ATOM 0 HA PHE A 29 6.420 3.875 -0.571 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.354 1.550 -1.072 1.00 0.00 H new ATOM 0 HB3 PHE A 29 5.009 2.251 0.497 1.00 0.00 H new ATOM 0 HD1 PHE A 29 2.804 3.631 0.664 1.00 0.00 H new ATOM 0 HD2 PHE A 29 3.593 0.843 -2.413 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.353 3.436 0.215 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.142 0.648 -2.862 1.00 0.00 H new ATOM 0 HZ PHE A 29 -0.449 1.944 -1.543 1.00 0.00 H new ATOM 415 N THR A 30 6.632 2.879 -2.965 1.00 0.00 N ATOM 416 CA THR A 30 6.933 2.746 -4.381 1.00 0.00 C ATOM 417 C THR A 30 6.560 1.347 -4.876 1.00 0.00 C ATOM 418 O THR A 30 6.669 0.372 -4.134 1.00 0.00 O ATOM 419 CB THR A 30 8.410 3.089 -4.584 1.00 0.00 C ATOM 420 OG1 THR A 30 9.099 2.177 -3.733 1.00 0.00 O ATOM 421 CG2 THR A 30 8.774 4.466 -4.027 1.00 0.00 C ATOM 0 H THR A 30 7.235 2.335 -2.348 1.00 0.00 H new ATOM 0 HA THR A 30 6.339 3.437 -4.979 1.00 0.00 H new ATOM 0 HB THR A 30 8.647 3.054 -5.647 1.00 0.00 H new ATOM 0 HG1 THR A 30 10.065 2.329 -3.804 1.00 0.00 H new ATOM 0 HG21 THR A 30 9.833 4.659 -4.197 1.00 0.00 H new ATOM 0 HG22 THR A 30 8.181 5.230 -4.529 1.00 0.00 H new ATOM 0 HG23 THR A 30 8.568 4.492 -2.957 1.00 0.00 H new ATOM 429 N ALA A 31 6.127 1.293 -6.127 1.00 0.00 N ATOM 430 CA ALA A 31 5.737 0.030 -6.730 1.00 0.00 C ATOM 431 C ALA A 31 6.799 -1.027 -6.421 1.00 0.00 C ATOM 432 O ALA A 31 7.995 -0.764 -6.538 1.00 0.00 O ATOM 433 CB ALA A 31 5.529 0.225 -8.233 1.00 0.00 C ATOM 0 H ALA A 31 6.038 2.104 -6.740 1.00 0.00 H new ATOM 0 HA ALA A 31 4.793 -0.319 -6.313 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.236 -0.722 -8.686 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.745 0.964 -8.399 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.457 0.573 -8.687 1.00 0.00 H new ATOM 439 N GLY A 32 6.324 -2.201 -6.032 1.00 0.00 N ATOM 440 CA GLY A 32 7.217 -3.299 -5.704 1.00 0.00 C ATOM 441 C GLY A 32 7.559 -3.302 -4.213 1.00 0.00 C ATOM 442 O GLY A 32 8.570 -3.873 -3.806 1.00 0.00 O ATOM 0 H GLY A 32 5.331 -2.416 -5.937 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.750 -4.246 -5.975 1.00 0.00 H new ATOM 0 HA3 GLY A 32 8.132 -3.216 -6.290 1.00 0.00 H new ATOM 446 N THR A 33 6.698 -2.657 -3.440 1.00 0.00 N ATOM 447 CA THR A 33 6.897 -2.577 -2.003 1.00 0.00 C ATOM 448 C THR A 33 5.971 -3.559 -1.282 1.00 0.00 C ATOM 449 O THR A 33 4.752 -3.489 -1.426 1.00 0.00 O ATOM 450 CB THR A 33 6.690 -1.123 -1.576 1.00 0.00 C ATOM 451 OG1 THR A 33 7.902 -0.475 -1.954 1.00 0.00 O ATOM 452 CG2 THR A 33 6.639 -0.960 -0.056 1.00 0.00 C ATOM 0 H THR A 33 5.861 -2.185 -3.782 1.00 0.00 H new ATOM 0 HA THR A 33 7.910 -2.870 -1.727 1.00 0.00 H new ATOM 0 HB THR A 33 5.765 -0.745 -2.012 1.00 0.00 H new ATOM 0 HG1 THR A 33 7.816 -0.127 -2.866 1.00 0.00 H new ATOM 0 HG21 THR A 33 6.491 0.091 0.192 1.00 0.00 H new ATOM 0 HG22 THR A 33 5.814 -1.548 0.345 1.00 0.00 H new ATOM 0 HG23 THR A 33 7.576 -1.307 0.379 1.00 0.00 H new ATOM 460 N VAL A 34 6.587 -4.453 -0.521 1.00 0.00 N ATOM 461 CA VAL A 34 5.833 -5.448 0.223 1.00 0.00 C ATOM 462 C VAL A 34 5.474 -4.885 1.600 1.00 0.00 C ATOM 463 O VAL A 34 6.304 -4.254 2.252 1.00 0.00 O ATOM 464 CB VAL A 34 6.625 -6.754 0.300 1.00 0.00 C ATOM 465 CG1 VAL A 34 6.003 -7.714 1.317 1.00 0.00 C ATOM 466 CG2 VAL A 34 6.735 -7.411 -1.078 1.00 0.00 C ATOM 0 H VAL A 34 7.599 -4.509 -0.404 1.00 0.00 H new ATOM 0 HA VAL A 34 4.898 -5.679 -0.288 1.00 0.00 H new ATOM 0 HB VAL A 34 7.633 -6.515 0.639 1.00 0.00 H new ATOM 0 HG11 VAL A 34 6.586 -8.635 1.352 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.001 -7.248 2.303 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.979 -7.944 1.022 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.303 -8.338 -0.995 1.00 0.00 H new ATOM 0 HG22 VAL A 34 5.737 -7.630 -1.458 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.244 -6.734 -1.764 1.00 0.00 H new ATOM 476 N PHE A 35 4.236 -5.134 2.001 1.00 0.00 N ATOM 477 CA PHE A 35 3.757 -4.660 3.288 1.00 0.00 C ATOM 478 C PHE A 35 3.783 -5.780 4.330 1.00 0.00 C ATOM 479 O PHE A 35 4.213 -6.895 4.037 1.00 0.00 O ATOM 480 CB PHE A 35 2.311 -4.201 3.086 1.00 0.00 C ATOM 481 CG PHE A 35 2.169 -2.969 2.190 1.00 0.00 C ATOM 482 CD1 PHE A 35 2.213 -1.724 2.735 1.00 0.00 C ATOM 483 CD2 PHE A 35 1.998 -3.119 0.849 1.00 0.00 C ATOM 484 CE1 PHE A 35 2.080 -0.580 1.904 1.00 0.00 C ATOM 485 CE2 PHE A 35 1.866 -1.976 0.018 1.00 0.00 C ATOM 486 CZ PHE A 35 1.910 -0.730 0.563 1.00 0.00 C ATOM 0 H PHE A 35 3.550 -5.658 1.457 1.00 0.00 H new ATOM 0 HA PHE A 35 4.394 -3.852 3.647 1.00 0.00 H new ATOM 0 HB2 PHE A 35 1.738 -5.021 2.653 1.00 0.00 H new ATOM 0 HB3 PHE A 35 1.871 -3.983 4.059 1.00 0.00 H new ATOM 0 HD1 PHE A 35 2.349 -1.605 3.800 1.00 0.00 H new ATOM 0 HD2 PHE A 35 1.963 -4.108 0.416 1.00 0.00 H new ATOM 0 HE1 PHE A 35 2.114 0.409 2.337 1.00 0.00 H new ATOM 0 HE2 PHE A 35 1.731 -2.095 -1.047 1.00 0.00 H new ATOM 0 HZ PHE A 35 1.810 0.140 -0.069 1.00 0.00 H new ATOM 496 N ASP A 36 3.316 -5.446 5.524 1.00 0.00 N ATOM 497 CA ASP A 36 3.281 -6.410 6.610 1.00 0.00 C ATOM 498 C ASP A 36 1.875 -6.440 7.214 1.00 0.00 C ATOM 499 O ASP A 36 1.265 -5.394 7.428 1.00 0.00 O ATOM 500 CB ASP A 36 4.263 -6.027 7.719 1.00 0.00 C ATOM 501 CG ASP A 36 5.471 -6.956 7.861 1.00 0.00 C ATOM 502 OD1 ASP A 36 5.284 -8.045 8.445 1.00 0.00 O ATOM 503 OD2 ASP A 36 6.554 -6.555 7.383 1.00 0.00 O ATOM 0 H ASP A 36 2.959 -4.521 5.763 1.00 0.00 H new ATOM 0 HA ASP A 36 3.556 -7.384 6.205 1.00 0.00 H new ATOM 0 HB2 ASP A 36 4.622 -5.015 7.533 1.00 0.00 H new ATOM 0 HB3 ASP A 36 3.726 -6.005 8.668 1.00 0.00 H new ATOM 508 N ASN A 37 1.402 -7.651 7.471 1.00 0.00 N ATOM 509 CA ASN A 37 0.080 -7.831 8.046 1.00 0.00 C ATOM 510 C ASN A 37 -0.916 -6.924 7.319 1.00 0.00 C ATOM 511 O ASN A 37 -1.263 -5.854 7.815 1.00 0.00 O ATOM 512 CB ASN A 37 0.067 -7.452 9.529 1.00 0.00 C ATOM 513 CG ASN A 37 -0.946 -8.299 10.302 1.00 0.00 C ATOM 514 OD1 ASN A 37 -1.828 -8.925 9.739 1.00 0.00 O ATOM 515 ND2 ASN A 37 -0.771 -8.282 11.620 1.00 0.00 N ATOM 0 H ASN A 37 1.911 -8.517 7.292 1.00 0.00 H new ATOM 0 HA ASN A 37 -0.193 -8.881 7.939 1.00 0.00 H new ATOM 0 HB2 ASN A 37 1.062 -7.592 9.953 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -0.180 -6.396 9.636 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -1.396 -8.815 12.224 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -0.011 -7.736 12.027 1.00 0.00 H new ATOM 522 N VAL A 38 -1.346 -7.386 6.154 1.00 0.00 N ATOM 523 CA VAL A 38 -2.294 -6.631 5.353 1.00 0.00 C ATOM 524 C VAL A 38 -3.712 -7.119 5.655 1.00 0.00 C ATOM 525 O VAL A 38 -3.987 -8.317 5.592 1.00 0.00 O ATOM 526 CB VAL A 38 -1.928 -6.736 3.871 1.00 0.00 C ATOM 527 CG1 VAL A 38 -3.009 -6.101 2.994 1.00 0.00 C ATOM 528 CG2 VAL A 38 -0.560 -6.106 3.599 1.00 0.00 C ATOM 0 H VAL A 38 -1.055 -8.274 5.746 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.253 -5.572 5.609 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.867 -7.793 3.614 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.725 -6.189 1.945 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.957 -6.613 3.157 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -3.116 -5.048 3.254 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.323 -6.194 2.539 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.582 -5.053 3.880 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.201 -6.622 4.184 1.00 0.00 H new ATOM 538 N HIS A 39 -4.576 -6.167 5.975 1.00 0.00 N ATOM 539 CA HIS A 39 -5.959 -6.485 6.287 1.00 0.00 C ATOM 540 C HIS A 39 -6.872 -5.374 5.765 1.00 0.00 C ATOM 541 O HIS A 39 -6.424 -4.249 5.547 1.00 0.00 O ATOM 542 CB HIS A 39 -6.134 -6.742 7.785 1.00 0.00 C ATOM 543 CG HIS A 39 -6.025 -5.500 8.637 1.00 0.00 C ATOM 544 ND1 HIS A 39 -7.104 -4.673 8.899 1.00 0.00 N ATOM 545 CD2 HIS A 39 -4.956 -4.953 9.284 1.00 0.00 C ATOM 546 CE1 HIS A 39 -6.691 -3.677 9.669 1.00 0.00 C ATOM 547 NE2 HIS A 39 -5.359 -3.852 9.906 1.00 0.00 N ATOM 0 H HIS A 39 -4.345 -5.175 6.025 1.00 0.00 H new ATOM 0 HA HIS A 39 -6.245 -7.409 5.784 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -7.108 -7.201 7.953 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -5.382 -7.461 8.110 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -3.951 -5.349 9.289 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -7.302 -2.869 10.043 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -4.770 -3.238 10.468 1.00 0.00 H new ATOM 555 N PRO A 40 -8.168 -5.736 5.574 1.00 0.00 N ATOM 556 CA PRO A 40 -9.148 -4.783 5.082 1.00 0.00 C ATOM 557 C PRO A 40 -9.549 -3.794 6.179 1.00 0.00 C ATOM 558 O PRO A 40 -10.251 -4.158 7.121 1.00 0.00 O ATOM 559 CB PRO A 40 -10.310 -5.630 4.592 1.00 0.00 C ATOM 560 CG PRO A 40 -10.141 -6.990 5.248 1.00 0.00 C ATOM 561 CD PRO A 40 -8.734 -7.059 5.821 1.00 0.00 C ATOM 0 HA PRO A 40 -8.761 -4.159 4.276 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -11.264 -5.180 4.866 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -10.299 -5.717 3.505 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -10.881 -7.129 6.036 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -10.297 -7.787 4.521 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -8.751 -7.290 6.886 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -8.146 -7.838 5.335 1.00 0.00 H new ATOM 569 N SER A 41 -9.087 -2.562 6.019 1.00 0.00 N ATOM 570 CA SER A 41 -9.390 -1.519 6.984 1.00 0.00 C ATOM 571 C SER A 41 -10.904 -1.338 7.101 1.00 0.00 C ATOM 572 O SER A 41 -11.672 -2.188 6.652 1.00 0.00 O ATOM 573 CB SER A 41 -8.726 -0.197 6.591 1.00 0.00 C ATOM 574 OG SER A 41 -8.388 0.589 7.731 1.00 0.00 O ATOM 0 H SER A 41 -8.506 -2.263 5.236 1.00 0.00 H new ATOM 0 HA SER A 41 -8.991 -1.822 7.952 1.00 0.00 H new ATOM 0 HB2 SER A 41 -7.826 -0.401 6.011 1.00 0.00 H new ATOM 0 HB3 SER A 41 -9.398 0.369 5.946 1.00 0.00 H new ATOM 0 HG SER A 41 -8.960 1.384 7.761 1.00 0.00 H new ATOM 580 N GLN A 42 -11.290 -0.224 7.708 1.00 0.00 N ATOM 581 CA GLN A 42 -12.699 0.079 7.890 1.00 0.00 C ATOM 582 C GLN A 42 -13.251 0.796 6.656 1.00 0.00 C ATOM 583 O GLN A 42 -14.465 0.889 6.479 1.00 0.00 O ATOM 584 CB GLN A 42 -12.921 0.913 9.154 1.00 0.00 C ATOM 585 CG GLN A 42 -13.448 0.044 10.298 1.00 0.00 C ATOM 586 CD GLN A 42 -14.847 -0.489 9.982 1.00 0.00 C ATOM 587 OE1 GLN A 42 -15.024 -1.447 9.248 1.00 0.00 O ATOM 588 NE2 GLN A 42 -15.829 0.184 10.577 1.00 0.00 N ATOM 0 H GLN A 42 -10.651 0.479 8.080 1.00 0.00 H new ATOM 0 HA GLN A 42 -13.240 -0.859 8.013 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -11.985 1.384 9.452 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -13.629 1.715 8.945 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -12.767 -0.790 10.469 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -13.476 0.627 11.219 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -15.611 0.977 11.180 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -16.799 -0.094 10.430 1.00 0.00 H new ATOM 597 N GLU A 43 -12.334 1.285 5.835 1.00 0.00 N ATOM 598 CA GLU A 43 -12.714 1.990 4.623 1.00 0.00 C ATOM 599 C GLU A 43 -12.961 0.997 3.485 1.00 0.00 C ATOM 600 O GLU A 43 -12.379 -0.086 3.465 1.00 0.00 O ATOM 601 CB GLU A 43 -11.651 3.019 4.231 1.00 0.00 C ATOM 602 CG GLU A 43 -11.778 4.287 5.077 1.00 0.00 C ATOM 603 CD GLU A 43 -11.819 3.949 6.569 1.00 0.00 C ATOM 604 OE1 GLU A 43 -10.985 3.116 6.985 1.00 0.00 O ATOM 605 OE2 GLU A 43 -12.683 4.531 7.259 1.00 0.00 O ATOM 0 H GLU A 43 -11.328 1.207 5.985 1.00 0.00 H new ATOM 0 HA GLU A 43 -13.642 2.529 4.816 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -10.658 2.589 4.361 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -11.754 3.270 3.175 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -10.937 4.950 4.874 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -12.683 4.826 4.798 1.00 0.00 H new ATOM 612 N PRO A 44 -13.849 1.412 2.542 1.00 0.00 N ATOM 613 CA PRO A 44 -14.180 0.571 1.405 1.00 0.00 C ATOM 614 C PRO A 44 -13.044 0.561 0.380 1.00 0.00 C ATOM 615 O PRO A 44 -12.620 1.615 -0.092 1.00 0.00 O ATOM 616 CB PRO A 44 -15.473 1.148 0.852 1.00 0.00 C ATOM 617 CG PRO A 44 -15.570 2.560 1.408 1.00 0.00 C ATOM 618 CD PRO A 44 -14.558 2.688 2.534 1.00 0.00 C ATOM 0 HA PRO A 44 -14.312 -0.475 1.681 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -15.462 1.157 -0.238 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -16.330 0.548 1.157 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -15.367 3.293 0.627 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -16.577 2.757 1.776 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -13.875 3.519 2.360 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -15.050 2.874 3.489 1.00 0.00 H new ATOM 626 N GLY A 45 -12.582 -0.641 0.067 1.00 0.00 N ATOM 627 CA GLY A 45 -11.503 -0.801 -0.892 1.00 0.00 C ATOM 628 C GLY A 45 -10.211 -0.165 -0.376 1.00 0.00 C ATOM 629 O GLY A 45 -9.459 0.433 -1.144 1.00 0.00 O ATOM 0 H GLY A 45 -12.936 -1.513 0.461 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -11.338 -1.861 -1.086 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -11.784 -0.343 -1.841 1.00 0.00 H new ATOM 633 N TRP A 46 -9.992 -0.316 0.922 1.00 0.00 N ATOM 634 CA TRP A 46 -8.804 0.236 1.550 1.00 0.00 C ATOM 635 C TRP A 46 -8.240 -0.819 2.504 1.00 0.00 C ATOM 636 O TRP A 46 -8.969 -1.373 3.325 1.00 0.00 O ATOM 637 CB TRP A 46 -9.117 1.563 2.245 1.00 0.00 C ATOM 638 CG TRP A 46 -9.330 2.734 1.283 1.00 0.00 C ATOM 639 CD1 TRP A 46 -10.489 3.281 0.892 1.00 0.00 C ATOM 640 CD2 TRP A 46 -8.302 3.484 0.602 1.00 0.00 C ATOM 641 NE1 TRP A 46 -10.285 4.325 0.013 1.00 0.00 N ATOM 642 CE2 TRP A 46 -8.913 4.452 -0.169 1.00 0.00 C ATOM 643 CE3 TRP A 46 -6.903 3.349 0.636 1.00 0.00 C ATOM 644 CZ2 TRP A 46 -8.203 5.360 -0.964 1.00 0.00 C ATOM 645 CZ3 TRP A 46 -6.208 4.264 -0.164 1.00 0.00 C ATOM 646 CH2 TRP A 46 -6.807 5.245 -0.945 1.00 0.00 C ATOM 0 H TRP A 46 -10.618 -0.813 1.556 1.00 0.00 H new ATOM 0 HA TRP A 46 -8.046 0.470 0.802 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -10.012 1.440 2.855 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -8.300 1.808 2.924 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -11.461 2.947 1.223 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -11.008 4.898 -0.423 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -6.404 2.599 1.232 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -8.704 6.108 -1.560 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -5.130 4.203 -0.175 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -6.199 5.915 -1.534 1.00 0.00 H new ATOM 657 N LEU A 47 -6.945 -1.066 2.363 1.00 0.00 N ATOM 658 CA LEU A 47 -6.275 -2.045 3.202 1.00 0.00 C ATOM 659 C LEU A 47 -5.502 -1.320 4.305 1.00 0.00 C ATOM 660 O LEU A 47 -5.048 -0.193 4.113 1.00 0.00 O ATOM 661 CB LEU A 47 -5.406 -2.973 2.351 1.00 0.00 C ATOM 662 CG LEU A 47 -6.114 -3.679 1.192 1.00 0.00 C ATOM 663 CD1 LEU A 47 -5.103 -4.338 0.252 1.00 0.00 C ATOM 664 CD2 LEU A 47 -7.151 -4.677 1.709 1.00 0.00 C ATOM 0 H LEU A 47 -6.343 -0.605 1.681 1.00 0.00 H new ATOM 0 HA LEU A 47 -7.004 -2.689 3.693 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.578 -2.392 1.945 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.973 -3.732 3.003 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.651 -2.929 0.612 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.632 -4.833 -0.563 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.437 -3.578 -0.156 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.518 -5.074 0.804 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -7.639 -5.164 0.865 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -6.657 -5.428 2.326 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -7.897 -4.151 2.305 1.00 0.00 H new ATOM 676 N GLU A 48 -5.376 -1.996 5.438 1.00 0.00 N ATOM 677 CA GLU A 48 -4.666 -1.431 6.572 1.00 0.00 C ATOM 678 C GLU A 48 -3.499 -2.336 6.972 1.00 0.00 C ATOM 679 O GLU A 48 -3.669 -3.262 7.763 1.00 0.00 O ATOM 680 CB GLU A 48 -5.612 -1.203 7.753 1.00 0.00 C ATOM 681 CG GLU A 48 -5.283 0.105 8.474 1.00 0.00 C ATOM 682 CD GLU A 48 -6.416 0.510 9.420 1.00 0.00 C ATOM 683 OE1 GLU A 48 -7.135 -0.407 9.869 1.00 0.00 O ATOM 684 OE2 GLU A 48 -6.536 1.729 9.672 1.00 0.00 O ATOM 0 H GLU A 48 -5.754 -2.930 5.594 1.00 0.00 H new ATOM 0 HA GLU A 48 -4.264 -0.461 6.278 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -6.642 -1.178 7.399 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -5.535 -2.037 8.451 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.357 -0.009 9.038 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.115 0.895 7.742 1.00 0.00 H new ATOM 691 N GLY A 49 -2.338 -2.035 6.407 1.00 0.00 N ATOM 692 CA GLY A 49 -1.143 -2.810 6.695 1.00 0.00 C ATOM 693 C GLY A 49 -0.181 -2.023 7.587 1.00 0.00 C ATOM 694 O GLY A 49 -0.541 -0.974 8.120 1.00 0.00 O ATOM 0 H GLY A 49 -2.200 -1.266 5.752 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.420 -3.743 7.187 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.645 -3.077 5.763 1.00 0.00 H new ATOM 698 N THR A 50 1.023 -2.559 7.722 1.00 0.00 N ATOM 699 CA THR A 50 2.039 -1.920 8.540 1.00 0.00 C ATOM 700 C THR A 50 3.363 -1.835 7.778 1.00 0.00 C ATOM 701 O THR A 50 4.101 -2.816 7.697 1.00 0.00 O ATOM 702 CB THR A 50 2.144 -2.696 9.855 1.00 0.00 C ATOM 703 OG1 THR A 50 0.826 -2.644 10.395 1.00 0.00 O ATOM 704 CG2 THR A 50 3.001 -1.971 10.896 1.00 0.00 C ATOM 0 H THR A 50 1.318 -3.429 7.278 1.00 0.00 H new ATOM 0 HA THR A 50 1.768 -0.890 8.773 1.00 0.00 H new ATOM 0 HB THR A 50 2.565 -3.683 9.661 1.00 0.00 H new ATOM 0 HG1 THR A 50 0.695 -1.790 10.857 1.00 0.00 H new ATOM 0 HG21 THR A 50 3.043 -2.564 11.810 1.00 0.00 H new ATOM 0 HG22 THR A 50 4.009 -1.834 10.506 1.00 0.00 H new ATOM 0 HG23 THR A 50 2.562 -0.998 11.115 1.00 0.00 H new ATOM 712 N LEU A 51 3.623 -0.654 7.237 1.00 0.00 N ATOM 713 CA LEU A 51 4.845 -0.429 6.484 1.00 0.00 C ATOM 714 C LEU A 51 5.884 0.232 7.392 1.00 0.00 C ATOM 715 O LEU A 51 5.740 1.396 7.762 1.00 0.00 O ATOM 716 CB LEU A 51 4.549 0.364 5.209 1.00 0.00 C ATOM 717 CG LEU A 51 5.754 0.674 4.318 1.00 0.00 C ATOM 718 CD1 LEU A 51 5.957 -0.421 3.269 1.00 0.00 C ATOM 719 CD2 LEU A 51 5.622 2.060 3.682 1.00 0.00 C ATOM 0 H LEU A 51 3.008 0.157 7.305 1.00 0.00 H new ATOM 0 HA LEU A 51 5.269 -1.377 6.152 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.820 -0.192 4.620 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.079 1.306 5.491 1.00 0.00 H new ATOM 0 HG LEU A 51 6.647 0.689 4.943 1.00 0.00 H new ATOM 0 HD11 LEU A 51 6.820 -0.176 2.649 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.128 -1.375 3.767 1.00 0.00 H new ATOM 0 HD13 LEU A 51 5.068 -0.493 2.642 1.00 0.00 H new ATOM 0 HD21 LEU A 51 6.491 2.256 3.054 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.718 2.097 3.073 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.563 2.816 4.465 1.00 0.00 H new ATOM 731 N ASN A 52 6.908 -0.540 7.724 1.00 0.00 N ATOM 732 CA ASN A 52 7.971 -0.044 8.582 1.00 0.00 C ATOM 733 C ASN A 52 7.371 0.443 9.902 1.00 0.00 C ATOM 734 O ASN A 52 7.334 1.643 10.167 1.00 0.00 O ATOM 735 CB ASN A 52 8.699 1.134 7.931 1.00 0.00 C ATOM 736 CG ASN A 52 9.640 0.653 6.824 1.00 0.00 C ATOM 737 OD1 ASN A 52 10.005 -0.508 6.745 1.00 0.00 O ATOM 738 ND2 ASN A 52 10.011 1.609 5.977 1.00 0.00 N ATOM 0 H ASN A 52 7.024 -1.505 7.415 1.00 0.00 H new ATOM 0 HA ASN A 52 8.677 -0.858 8.748 1.00 0.00 H new ATOM 0 HB2 ASN A 52 7.971 1.832 7.517 1.00 0.00 H new ATOM 0 HB3 ASN A 52 9.267 1.677 8.686 1.00 0.00 H new ATOM 0 HD21 ASN A 52 10.639 1.390 5.203 1.00 0.00 H new ATOM 0 HD22 ASN A 52 9.668 2.562 6.101 1.00 0.00 H new ATOM 745 N GLY A 53 6.914 -0.515 10.696 1.00 0.00 N ATOM 746 CA GLY A 53 6.317 -0.199 11.983 1.00 0.00 C ATOM 747 C GLY A 53 5.422 1.038 11.883 1.00 0.00 C ATOM 748 O GLY A 53 5.443 1.897 12.763 1.00 0.00 O ATOM 0 H GLY A 53 6.945 -1.510 10.473 1.00 0.00 H new ATOM 0 HA2 GLY A 53 5.732 -1.048 12.335 1.00 0.00 H new ATOM 0 HA3 GLY A 53 7.102 -0.026 12.719 1.00 0.00 H new ATOM 752 N LYS A 54 4.656 1.089 10.803 1.00 0.00 N ATOM 753 CA LYS A 54 3.755 2.206 10.576 1.00 0.00 C ATOM 754 C LYS A 54 2.494 1.703 9.870 1.00 0.00 C ATOM 755 O LYS A 54 2.570 1.156 8.771 1.00 0.00 O ATOM 756 CB LYS A 54 4.473 3.330 9.827 1.00 0.00 C ATOM 757 CG LYS A 54 3.718 4.653 9.969 1.00 0.00 C ATOM 758 CD LYS A 54 4.325 5.730 9.067 1.00 0.00 C ATOM 759 CE LYS A 54 3.252 6.708 8.583 1.00 0.00 C ATOM 760 NZ LYS A 54 3.671 7.352 7.319 1.00 0.00 N ATOM 0 H LYS A 54 4.641 0.374 10.075 1.00 0.00 H new ATOM 0 HA LYS A 54 3.438 2.639 11.525 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.485 3.442 10.215 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.563 3.070 8.772 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.669 4.507 9.712 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.748 4.984 11.007 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.098 6.273 9.612 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.809 5.261 8.210 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.310 6.180 8.434 1.00 0.00 H new ATOM 0 HE3 LYS A 54 3.074 7.468 9.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.932 8.012 7.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.558 7.873 7.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.818 6.624 6.591 1.00 0.00 H new ATOM 774 N THR A 55 1.364 1.907 10.530 1.00 0.00 N ATOM 775 CA THR A 55 0.088 1.481 9.980 1.00 0.00 C ATOM 776 C THR A 55 -0.623 2.659 9.310 1.00 0.00 C ATOM 777 O THR A 55 -0.455 3.806 9.722 1.00 0.00 O ATOM 778 CB THR A 55 -0.724 0.842 11.108 1.00 0.00 C ATOM 779 OG1 THR A 55 0.006 -0.336 11.438 1.00 0.00 O ATOM 780 CG2 THR A 55 -2.080 0.318 10.629 1.00 0.00 C ATOM 0 H THR A 55 1.305 2.362 11.441 1.00 0.00 H new ATOM 0 HA THR A 55 0.224 0.735 9.196 1.00 0.00 H new ATOM 0 HB THR A 55 -0.877 1.572 11.903 1.00 0.00 H new ATOM 0 HG1 THR A 55 -0.451 -0.811 12.163 1.00 0.00 H new ATOM 0 HG21 THR A 55 -2.616 -0.125 11.468 1.00 0.00 H new ATOM 0 HG22 THR A 55 -2.665 1.142 10.220 1.00 0.00 H new ATOM 0 HG23 THR A 55 -1.927 -0.436 9.857 1.00 0.00 H new ATOM 788 N GLY A 56 -1.403 2.335 8.289 1.00 0.00 N ATOM 789 CA GLY A 56 -2.141 3.351 7.559 1.00 0.00 C ATOM 790 C GLY A 56 -3.119 2.714 6.569 1.00 0.00 C ATOM 791 O GLY A 56 -3.340 1.505 6.601 1.00 0.00 O ATOM 0 H GLY A 56 -1.540 1.383 7.950 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.687 3.983 8.260 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.445 3.997 7.024 1.00 0.00 H new ATOM 795 N LEU A 57 -3.678 3.557 5.714 1.00 0.00 N ATOM 796 CA LEU A 57 -4.627 3.092 4.717 1.00 0.00 C ATOM 797 C LEU A 57 -3.899 2.871 3.390 1.00 0.00 C ATOM 798 O LEU A 57 -3.060 3.679 2.996 1.00 0.00 O ATOM 799 CB LEU A 57 -5.813 4.054 4.616 1.00 0.00 C ATOM 800 CG LEU A 57 -6.645 4.231 5.887 1.00 0.00 C ATOM 801 CD1 LEU A 57 -7.839 5.153 5.637 1.00 0.00 C ATOM 802 CD2 LEU A 57 -7.075 2.876 6.453 1.00 0.00 C ATOM 0 H LEU A 57 -3.492 4.560 5.691 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.050 2.132 5.012 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.437 5.031 4.313 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -6.471 3.705 3.821 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.021 4.711 6.640 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -8.414 5.262 6.557 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -7.482 6.131 5.314 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -8.474 4.724 4.861 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -7.665 3.030 7.356 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -7.675 2.347 5.713 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.191 2.285 6.693 1.00 0.00 H new ATOM 814 N ILE A 58 -4.247 1.772 2.737 1.00 0.00 N ATOM 815 CA ILE A 58 -3.637 1.434 1.462 1.00 0.00 C ATOM 816 C ILE A 58 -4.733 1.067 0.459 1.00 0.00 C ATOM 817 O ILE A 58 -5.703 0.398 0.811 1.00 0.00 O ATOM 818 CB ILE A 58 -2.581 0.343 1.646 1.00 0.00 C ATOM 819 CG1 ILE A 58 -1.543 0.755 2.691 1.00 0.00 C ATOM 820 CG2 ILE A 58 -1.934 -0.025 0.309 1.00 0.00 C ATOM 821 CD1 ILE A 58 -0.988 -0.467 3.426 1.00 0.00 C ATOM 0 H ILE A 58 -4.944 1.104 3.067 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.106 2.294 1.054 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.077 -0.552 2.021 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.728 1.293 2.207 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.996 1.440 3.408 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.187 -0.803 0.468 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -2.698 -0.391 -0.377 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.455 0.856 -0.118 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.252 -0.145 4.163 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.802 -0.989 3.930 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.514 -1.138 2.710 1.00 0.00 H new ATOM 833 N PRO A 59 -4.535 1.532 -0.804 1.00 0.00 N ATOM 834 CA PRO A 59 -5.494 1.259 -1.860 1.00 0.00 C ATOM 835 C PRO A 59 -5.385 -0.190 -2.340 1.00 0.00 C ATOM 836 O PRO A 59 -4.357 -0.592 -2.882 1.00 0.00 O ATOM 837 CB PRO A 59 -5.178 2.271 -2.950 1.00 0.00 C ATOM 838 CG PRO A 59 -3.768 2.762 -2.666 1.00 0.00 C ATOM 839 CD PRO A 59 -3.398 2.327 -1.257 1.00 0.00 C ATOM 0 HA PRO A 59 -6.527 1.362 -1.526 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -5.241 1.814 -3.938 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -5.890 3.097 -2.935 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -3.066 2.348 -3.390 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -3.716 3.847 -2.757 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -2.478 1.742 -1.252 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -3.232 3.187 -0.608 1.00 0.00 H new ATOM 847 N GLU A 60 -6.459 -0.934 -2.123 1.00 0.00 N ATOM 848 CA GLU A 60 -6.497 -2.329 -2.526 1.00 0.00 C ATOM 849 C GLU A 60 -6.375 -2.446 -4.047 1.00 0.00 C ATOM 850 O GLU A 60 -6.064 -3.516 -4.568 1.00 0.00 O ATOM 851 CB GLU A 60 -7.771 -3.011 -2.025 1.00 0.00 C ATOM 852 CG GLU A 60 -8.188 -4.150 -2.957 1.00 0.00 C ATOM 853 CD GLU A 60 -9.344 -4.954 -2.359 1.00 0.00 C ATOM 854 OE1 GLU A 60 -9.422 -4.993 -1.112 1.00 0.00 O ATOM 855 OE2 GLU A 60 -10.123 -5.512 -3.162 1.00 0.00 O ATOM 0 H GLU A 60 -7.310 -0.597 -1.673 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.648 -2.840 -2.072 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -7.608 -3.400 -1.020 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.576 -2.279 -1.957 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.485 -3.743 -3.924 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -7.337 -4.808 -3.136 1.00 0.00 H new ATOM 862 N ASN A 61 -6.627 -1.330 -4.716 1.00 0.00 N ATOM 863 CA ASN A 61 -6.550 -1.294 -6.167 1.00 0.00 C ATOM 864 C ASN A 61 -5.146 -0.852 -6.587 1.00 0.00 C ATOM 865 O ASN A 61 -4.930 -0.469 -7.736 1.00 0.00 O ATOM 866 CB ASN A 61 -7.553 -0.295 -6.747 1.00 0.00 C ATOM 867 CG ASN A 61 -7.501 1.035 -5.993 1.00 0.00 C ATOM 868 OD1 ASN A 61 -8.028 1.182 -4.903 1.00 0.00 O ATOM 869 ND2 ASN A 61 -6.838 1.994 -6.634 1.00 0.00 N ATOM 0 H ASN A 61 -6.885 -0.444 -4.280 1.00 0.00 H new ATOM 0 HA ASN A 61 -6.777 -2.292 -6.542 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -7.336 -0.128 -7.802 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -8.559 -0.710 -6.690 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -6.747 2.919 -6.214 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -6.420 1.804 -7.545 1.00 0.00 H new ATOM 876 N TYR A 62 -4.229 -0.920 -5.634 1.00 0.00 N ATOM 877 CA TYR A 62 -2.852 -0.532 -5.891 1.00 0.00 C ATOM 878 C TYR A 62 -1.875 -1.529 -5.265 1.00 0.00 C ATOM 879 O TYR A 62 -0.669 -1.288 -5.238 1.00 0.00 O ATOM 880 CB TYR A 62 -2.667 0.833 -5.225 1.00 0.00 C ATOM 881 CG TYR A 62 -2.374 1.970 -6.206 1.00 0.00 C ATOM 882 CD1 TYR A 62 -2.872 1.917 -7.492 1.00 0.00 C ATOM 883 CD2 TYR A 62 -1.613 3.048 -5.804 1.00 0.00 C ATOM 884 CE1 TYR A 62 -2.596 2.987 -8.415 1.00 0.00 C ATOM 885 CE2 TYR A 62 -1.337 4.118 -6.727 1.00 0.00 C ATOM 886 CZ TYR A 62 -1.842 4.035 -7.987 1.00 0.00 C ATOM 887 OH TYR A 62 -1.582 5.046 -8.859 1.00 0.00 O ATOM 0 H TYR A 62 -4.412 -1.238 -4.682 1.00 0.00 H new ATOM 0 HA TYR A 62 -2.655 -0.504 -6.963 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -3.568 1.076 -4.662 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -1.850 0.767 -4.506 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -3.469 1.073 -7.806 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -1.224 3.089 -4.797 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -2.979 2.958 -9.424 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -0.742 4.968 -6.425 1.00 0.00 H new ATOM 0 HH TYR A 62 -1.034 5.727 -8.416 1.00 0.00 H new ATOM 897 N VAL A 63 -2.432 -2.627 -4.776 1.00 0.00 N ATOM 898 CA VAL A 63 -1.625 -3.661 -4.151 1.00 0.00 C ATOM 899 C VAL A 63 -1.924 -5.006 -4.816 1.00 0.00 C ATOM 900 O VAL A 63 -2.892 -5.132 -5.565 1.00 0.00 O ATOM 901 CB VAL A 63 -1.869 -3.674 -2.641 1.00 0.00 C ATOM 902 CG1 VAL A 63 -1.163 -2.499 -1.962 1.00 0.00 C ATOM 903 CG2 VAL A 63 -3.366 -3.670 -2.327 1.00 0.00 C ATOM 0 H VAL A 63 -3.433 -2.823 -4.800 1.00 0.00 H new ATOM 0 HA VAL A 63 -0.564 -3.456 -4.294 1.00 0.00 H new ATOM 0 HB VAL A 63 -1.446 -4.596 -2.241 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.352 -2.531 -0.889 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.090 -2.565 -2.143 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.543 -1.562 -2.369 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -3.511 -3.679 -1.247 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.823 -2.774 -2.747 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.832 -4.554 -2.763 1.00 0.00 H new ATOM 913 N GLU A 64 -1.074 -5.979 -4.520 1.00 0.00 N ATOM 914 CA GLU A 64 -1.235 -7.310 -5.080 1.00 0.00 C ATOM 915 C GLU A 64 -0.806 -8.369 -4.062 1.00 0.00 C ATOM 916 O GLU A 64 0.357 -8.768 -4.029 1.00 0.00 O ATOM 917 CB GLU A 64 -0.450 -7.454 -6.385 1.00 0.00 C ATOM 918 CG GLU A 64 -0.223 -8.928 -6.728 1.00 0.00 C ATOM 919 CD GLU A 64 -0.404 -9.176 -8.227 1.00 0.00 C ATOM 920 OE1 GLU A 64 0.329 -8.526 -9.002 1.00 0.00 O ATOM 921 OE2 GLU A 64 -1.272 -10.011 -8.563 1.00 0.00 O ATOM 0 H GLU A 64 -0.272 -5.872 -3.899 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.290 -7.461 -5.310 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -0.993 -6.968 -7.196 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.510 -6.946 -6.294 1.00 0.00 H new ATOM 0 HG2 GLU A 64 0.781 -9.225 -6.425 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -0.922 -9.548 -6.166 1.00 0.00 H new ATOM 928 N PHE A 65 -1.769 -8.794 -3.257 1.00 0.00 N ATOM 929 CA PHE A 65 -1.506 -9.799 -2.241 1.00 0.00 C ATOM 930 C PHE A 65 -0.603 -10.907 -2.787 1.00 0.00 C ATOM 931 O PHE A 65 -0.846 -11.432 -3.873 1.00 0.00 O ATOM 932 CB PHE A 65 -2.855 -10.404 -1.849 1.00 0.00 C ATOM 933 CG PHE A 65 -3.649 -9.559 -0.850 1.00 0.00 C ATOM 934 CD1 PHE A 65 -4.505 -8.602 -1.298 1.00 0.00 C ATOM 935 CD2 PHE A 65 -3.498 -9.766 0.485 1.00 0.00 C ATOM 936 CE1 PHE A 65 -5.241 -7.818 -0.371 1.00 0.00 C ATOM 937 CE2 PHE A 65 -4.235 -8.982 1.413 1.00 0.00 C ATOM 938 CZ PHE A 65 -5.091 -8.024 0.965 1.00 0.00 C ATOM 0 H PHE A 65 -2.732 -8.461 -3.288 1.00 0.00 H new ATOM 0 HA PHE A 65 -1.002 -9.343 -1.389 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -3.454 -10.543 -2.749 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -2.688 -11.392 -1.421 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -4.625 -8.438 -2.359 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -2.818 -10.526 0.840 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -5.920 -7.058 -0.727 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -4.116 -9.147 2.474 1.00 0.00 H new ATOM 0 HZ PHE A 65 -5.651 -7.427 1.670 1.00 0.00 H new ATOM 948 N LEU A 66 0.420 -11.231 -2.010 1.00 0.00 N ATOM 949 CA LEU A 66 1.360 -12.267 -2.402 1.00 0.00 C ATOM 950 C LEU A 66 0.856 -13.622 -1.902 1.00 0.00 C ATOM 951 O LEU A 66 -0.125 -13.690 -1.163 1.00 0.00 O ATOM 952 CB LEU A 66 2.771 -11.920 -1.923 1.00 0.00 C ATOM 953 CG LEU A 66 3.191 -10.457 -2.077 1.00 0.00 C ATOM 954 CD1 LEU A 66 3.869 -9.944 -0.805 1.00 0.00 C ATOM 955 CD2 LEU A 66 4.072 -10.266 -3.313 1.00 0.00 C ATOM 0 H LEU A 66 0.619 -10.794 -1.110 1.00 0.00 H new ATOM 0 HA LEU A 66 1.425 -12.332 -3.488 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.853 -12.192 -0.871 1.00 0.00 H new ATOM 0 HB3 LEU A 66 3.481 -12.541 -2.469 1.00 0.00 H new ATOM 0 HG LEU A 66 2.293 -9.858 -2.227 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.158 -8.902 -0.941 1.00 0.00 H new ATOM 0 HD12 LEU A 66 3.177 -10.022 0.033 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.757 -10.542 -0.599 1.00 0.00 H new ATOM 0 HD21 LEU A 66 4.356 -9.217 -3.399 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.969 -10.878 -3.219 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.520 -10.566 -4.203 1.00 0.00 H new ATOM 967 N SER A 67 1.550 -14.668 -2.325 1.00 0.00 N ATOM 968 CA SER A 67 1.186 -16.018 -1.929 1.00 0.00 C ATOM 969 C SER A 67 2.446 -16.842 -1.656 1.00 0.00 C ATOM 970 O SER A 67 3.538 -16.473 -2.085 1.00 0.00 O ATOM 971 CB SER A 67 0.331 -16.695 -3.002 1.00 0.00 C ATOM 972 OG SER A 67 0.943 -16.636 -4.288 1.00 0.00 O ATOM 0 H SER A 67 2.363 -14.608 -2.938 1.00 0.00 H new ATOM 0 HA SER A 67 0.594 -15.958 -1.015 1.00 0.00 H new ATOM 0 HB2 SER A 67 0.163 -17.736 -2.728 1.00 0.00 H new ATOM 0 HB3 SER A 67 -0.647 -16.215 -3.043 1.00 0.00 H new ATOM 0 HG SER A 67 0.367 -17.080 -4.945 1.00 0.00 H new ATOM 978 N GLY A 68 2.253 -17.942 -0.944 1.00 0.00 N ATOM 979 CA GLY A 68 3.360 -18.821 -0.609 1.00 0.00 C ATOM 980 C GLY A 68 3.284 -20.127 -1.404 1.00 0.00 C ATOM 981 O GLY A 68 2.277 -20.403 -2.055 1.00 0.00 O ATOM 0 H GLY A 68 1.346 -18.245 -0.590 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.304 -18.318 -0.818 1.00 0.00 H new ATOM 0 HA3 GLY A 68 3.345 -19.040 0.459 1.00 0.00 H new ATOM 985 N PRO A 69 4.389 -20.915 -1.322 1.00 0.00 N ATOM 986 CA PRO A 69 4.457 -22.184 -2.026 1.00 0.00 C ATOM 987 C PRO A 69 3.606 -23.245 -1.325 1.00 0.00 C ATOM 988 O PRO A 69 4.132 -24.242 -0.832 1.00 0.00 O ATOM 989 CB PRO A 69 5.935 -22.536 -2.060 1.00 0.00 C ATOM 990 CG PRO A 69 6.590 -21.694 -0.978 1.00 0.00 C ATOM 991 CD PRO A 69 5.599 -20.619 -0.560 1.00 0.00 C ATOM 0 HA PRO A 69 4.051 -22.127 -3.036 1.00 0.00 H new ATOM 0 HB2 PRO A 69 6.087 -23.599 -1.873 1.00 0.00 H new ATOM 0 HB3 PRO A 69 6.366 -22.319 -3.038 1.00 0.00 H new ATOM 0 HG2 PRO A 69 6.863 -22.314 -0.124 1.00 0.00 H new ATOM 0 HG3 PRO A 69 7.509 -21.242 -1.350 1.00 0.00 H new ATOM 0 HD2 PRO A 69 5.409 -20.651 0.513 1.00 0.00 H new ATOM 0 HD3 PRO A 69 5.977 -19.622 -0.788 1.00 0.00 H new ATOM 999 N SER A 70 2.305 -22.995 -1.304 1.00 0.00 N ATOM 1000 CA SER A 70 1.376 -23.917 -0.672 1.00 0.00 C ATOM 1001 C SER A 70 1.605 -23.936 0.841 1.00 0.00 C ATOM 1002 O SER A 70 2.736 -23.791 1.303 1.00 0.00 O ATOM 1003 CB SER A 70 1.521 -25.326 -1.248 1.00 0.00 C ATOM 1004 OG SER A 70 1.466 -25.329 -2.672 1.00 0.00 O ATOM 0 H SER A 70 1.872 -22.168 -1.714 1.00 0.00 H new ATOM 0 HA SER A 70 0.362 -23.573 -0.875 1.00 0.00 H new ATOM 0 HB2 SER A 70 2.468 -25.756 -0.921 1.00 0.00 H new ATOM 0 HB3 SER A 70 0.729 -25.962 -0.853 1.00 0.00 H new ATOM 0 HG SER A 70 1.564 -26.247 -3.001 1.00 0.00 H new ATOM 1010 N SER A 71 0.514 -24.116 1.571 1.00 0.00 N ATOM 1011 CA SER A 71 0.582 -24.156 3.021 1.00 0.00 C ATOM 1012 C SER A 71 1.067 -22.809 3.560 1.00 0.00 C ATOM 1013 O SER A 71 2.256 -22.634 3.826 1.00 0.00 O ATOM 1014 CB SER A 71 1.503 -25.281 3.499 1.00 0.00 C ATOM 1015 OG SER A 71 0.876 -26.558 3.411 1.00 0.00 O ATOM 0 H SER A 71 -0.422 -24.236 1.185 1.00 0.00 H new ATOM 0 HA SER A 71 -0.419 -24.355 3.404 1.00 0.00 H new ATOM 0 HB2 SER A 71 2.414 -25.282 2.901 1.00 0.00 H new ATOM 0 HB3 SER A 71 1.800 -25.093 4.531 1.00 0.00 H new ATOM 0 HG SER A 71 1.496 -27.249 3.723 1.00 0.00 H new ATOM 1021 N GLY A 72 0.123 -21.891 3.705 1.00 0.00 N ATOM 1022 CA GLY A 72 0.439 -20.565 4.207 1.00 0.00 C ATOM 1023 C GLY A 72 -0.767 -19.631 4.086 1.00 0.00 C ATOM 1024 O GLY A 72 -0.877 -18.655 4.826 1.00 0.00 O ATOM 0 H GLY A 72 -0.862 -22.040 3.483 1.00 0.00 H new ATOM 0 HA2 GLY A 72 0.749 -20.631 5.250 1.00 0.00 H new ATOM 0 HA3 GLY A 72 1.280 -20.152 3.650 1.00 0.00 H new TER 1028 GLY A 72