USER MOD reduce.3.24.130724 H: found=0, std=0, add=371, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 369 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 12 CYS SG : rot -84:sc= 1.2 USER MOD Set 1.2: A 30 CYS SG : rot 86:sc= -0.682 USER MOD Single : A 1 ASP N :NH3+ -146:sc= 1.14 (180deg=-0.453) USER MOD Single : A 4 GLN : amide:sc= -0.985 X(o=-0.99,f=-0.95) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot 180:sc=-0.00392 USER MOD Single : A 11 THR OG1 : rot 89:sc= 0.29 USER MOD Single : A 13 HIS : no HD1:sc= -0.187 K(o=-0.19,f=-2.6!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -0.0201 X(o=-0.02,f=-0.21) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 99:sc= 0.315 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0388) USER MOD Single : A 49 LYS NZ :NH3+ -156:sc= 1.14 (180deg=0.641) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 1.269 0.161 0.151 1.00 10.00 N ATOM 2 CA ASP A 1 1.949 0.080 -1.173 1.00 10.00 C ATOM 3 C ASP A 1 2.609 1.415 -1.476 1.00 10.00 C ATOM 4 O ASP A 1 2.086 2.246 -2.205 1.00 10.00 O ATOM 5 CB ASP A 1 1.087 -0.436 -2.354 1.00 10.00 C ATOM 6 CG ASP A 1 -0.380 -0.740 -2.053 1.00 10.00 C ATOM 7 OD1 ASP A 1 -0.948 -0.009 -1.219 1.00 10.00 O ATOM 8 OD2 ASP A 1 -0.868 -1.762 -2.569 1.00 10.00 O ATOM 0 H1 ASP A 1 1.325 -0.762 0.627 1.00 10.00 H new ATOM 0 H2 ASP A 1 1.736 0.882 0.738 1.00 10.00 H new ATOM 0 H3 ASP A 1 0.271 0.420 0.014 1.00 10.00 H new ATOM 0 HA ASP A 1 2.702 -0.702 -1.078 1.00 10.00 H new ATOM 0 HB2 ASP A 1 1.124 0.306 -3.151 1.00 10.00 H new ATOM 0 HB3 ASP A 1 1.550 -1.344 -2.742 1.00 10.00 H new ATOM 15 N GLU A 2 3.823 1.586 -0.953 1.00 10.00 N ATOM 16 CA GLU A 2 4.566 2.838 -1.143 1.00 10.00 C ATOM 17 C GLU A 2 5.755 2.613 -2.057 1.00 10.00 C ATOM 18 O GLU A 2 6.025 3.432 -2.918 1.00 10.00 O ATOM 19 CB GLU A 2 4.999 3.447 0.200 1.00 10.00 C ATOM 20 CG GLU A 2 4.194 4.709 0.528 1.00 10.00 C ATOM 21 CD GLU A 2 2.876 4.368 1.250 1.00 10.00 C ATOM 22 OE1 GLU A 2 2.337 3.242 1.063 1.00 10.00 O ATOM 23 OE2 GLU A 2 2.486 5.209 2.087 1.00 10.00 O ATOM 0 H GLU A 2 4.312 0.883 -0.399 1.00 10.00 H new ATOM 0 HA GLU A 2 3.900 3.558 -1.619 1.00 10.00 H new ATOM 0 HB2 GLU A 2 4.866 2.712 0.994 1.00 10.00 H new ATOM 0 HB3 GLU A 2 6.061 3.690 0.165 1.00 10.00 H new ATOM 0 HG2 GLU A 2 4.792 5.371 1.154 1.00 10.00 H new ATOM 0 HG3 GLU A 2 3.976 5.252 -0.392 1.00 10.00 H new ATOM 30 N ALA A 3 6.436 1.474 -1.932 1.00 10.00 N ATOM 31 CA ALA A 3 7.607 1.159 -2.753 1.00 10.00 C ATOM 32 C ALA A 3 7.276 0.938 -4.240 1.00 10.00 C ATOM 33 O ALA A 3 7.899 1.542 -5.103 1.00 10.00 O ATOM 34 CB ALA A 3 8.335 -0.049 -2.179 1.00 10.00 C ATOM 0 H ALA A 3 6.193 0.745 -1.261 1.00 10.00 H new ATOM 0 HA ALA A 3 8.257 2.033 -2.719 1.00 10.00 H new ATOM 0 HB1 ALA A 3 9.205 -0.277 -2.796 1.00 10.00 H new ATOM 0 HB2 ALA A 3 8.659 0.171 -1.162 1.00 10.00 H new ATOM 0 HB3 ALA A 3 7.663 -0.907 -2.168 1.00 10.00 H new ATOM 40 N GLN A 4 6.222 0.174 -4.545 1.00 10.00 N ATOM 41 CA GLN A 4 5.729 -0.024 -5.920 1.00 10.00 C ATOM 42 C GLN A 4 5.543 1.299 -6.697 1.00 10.00 C ATOM 43 O GLN A 4 5.714 1.379 -7.910 1.00 10.00 O ATOM 44 CB GLN A 4 4.422 -0.838 -5.859 1.00 10.00 C ATOM 45 CG GLN A 4 3.178 0.045 -5.637 1.00 10.00 C ATOM 46 CD GLN A 4 1.870 -0.721 -5.536 1.00 10.00 C ATOM 47 OE1 GLN A 4 1.829 -1.916 -5.318 1.00 10.00 O ATOM 48 NE2 GLN A 4 0.749 -0.041 -5.611 1.00 10.00 N ATOM 0 H GLN A 4 5.680 -0.330 -3.843 1.00 10.00 H new ATOM 0 HA GLN A 4 6.485 -0.575 -6.480 1.00 10.00 H new ATOM 0 HB2 GLN A 4 4.304 -1.397 -6.787 1.00 10.00 H new ATOM 0 HB3 GLN A 4 4.492 -1.569 -5.053 1.00 10.00 H new ATOM 0 HG2 GLN A 4 3.317 0.623 -4.723 1.00 10.00 H new ATOM 0 HG3 GLN A 4 3.104 0.759 -6.458 1.00 10.00 H new ATOM 0 HE21 GLN A 4 0.772 0.962 -5.794 1.00 10.00 H new ATOM 0 HE22 GLN A 4 -0.145 -0.516 -5.487 1.00 10.00 H new ATOM 57 N PHE A 5 5.166 2.339 -5.949 1.00 10.00 N ATOM 58 CA PHE A 5 4.963 3.699 -6.394 1.00 10.00 C ATOM 59 C PHE A 5 6.248 4.487 -6.339 1.00 10.00 C ATOM 60 O PHE A 5 6.568 5.113 -7.326 1.00 10.00 O ATOM 61 CB PHE A 5 3.912 4.367 -5.514 1.00 10.00 C ATOM 62 CG PHE A 5 3.425 5.662 -6.102 1.00 10.00 C ATOM 63 CD1 PHE A 5 4.182 6.848 -5.998 1.00 10.00 C ATOM 64 CD2 PHE A 5 2.191 5.665 -6.764 1.00 10.00 C ATOM 65 CE1 PHE A 5 3.692 8.037 -6.562 1.00 10.00 C ATOM 66 CE2 PHE A 5 1.683 6.865 -7.269 1.00 10.00 C ATOM 67 CZ PHE A 5 2.449 8.039 -7.212 1.00 10.00 C ATOM 0 H PHE A 5 4.985 2.234 -4.951 1.00 10.00 H new ATOM 0 HA PHE A 5 4.622 3.677 -7.429 1.00 10.00 H new ATOM 0 HB2 PHE A 5 3.068 3.690 -5.380 1.00 10.00 H new ATOM 0 HB3 PHE A 5 4.332 4.553 -4.526 1.00 10.00 H new ATOM 0 HD1 PHE A 5 5.134 6.841 -5.487 1.00 10.00 H new ATOM 0 HD2 PHE A 5 1.636 4.746 -6.883 1.00 10.00 H new ATOM 0 HE1 PHE A 5 4.270 8.947 -6.496 1.00 10.00 H new ATOM 0 HE2 PHE A 5 0.695 6.889 -7.705 1.00 10.00 H new ATOM 0 HZ PHE A 5 2.081 8.946 -7.669 1.00 10.00 H new ATOM 77 N LYS A 6 7.022 4.442 -5.251 1.00 10.00 N ATOM 78 CA LYS A 6 8.335 5.101 -5.128 1.00 10.00 C ATOM 79 C LYS A 6 9.236 4.733 -6.298 1.00 10.00 C ATOM 80 O LYS A 6 9.942 5.582 -6.821 1.00 10.00 O ATOM 81 CB LYS A 6 8.967 4.835 -3.738 1.00 10.00 C ATOM 82 CG LYS A 6 9.992 3.687 -3.639 1.00 10.00 C ATOM 83 CD LYS A 6 11.372 4.082 -4.166 1.00 10.00 C ATOM 84 CE LYS A 6 12.382 4.044 -3.030 1.00 10.00 C ATOM 85 NZ LYS A 6 13.514 4.930 -3.377 1.00 10.00 N ATOM 0 H LYS A 6 6.751 3.935 -4.408 1.00 10.00 H new ATOM 0 HA LYS A 6 8.198 6.181 -5.184 1.00 10.00 H new ATOM 0 HB2 LYS A 6 9.454 5.752 -3.407 1.00 10.00 H new ATOM 0 HB3 LYS A 6 8.161 4.630 -3.034 1.00 10.00 H new ATOM 0 HG2 LYS A 6 10.081 3.373 -2.599 1.00 10.00 H new ATOM 0 HG3 LYS A 6 9.625 2.828 -4.201 1.00 10.00 H new ATOM 0 HD2 LYS A 6 11.677 3.401 -4.961 1.00 10.00 H new ATOM 0 HD3 LYS A 6 11.334 5.081 -4.599 1.00 10.00 H new ATOM 0 HE2 LYS A 6 11.917 4.370 -2.099 1.00 10.00 H new ATOM 0 HE3 LYS A 6 12.734 3.025 -2.870 1.00 10.00 H new ATOM 0 HZ1 LYS A 6 14.215 4.915 -2.609 1.00 10.00 H new ATOM 0 HZ2 LYS A 6 13.958 4.598 -4.257 1.00 10.00 H new ATOM 0 HZ3 LYS A 6 13.167 5.901 -3.510 1.00 10.00 H new ATOM 99 N GLU A 7 9.177 3.471 -6.708 1.00 10.00 N ATOM 100 CA GLU A 7 9.910 2.930 -7.838 1.00 10.00 C ATOM 101 C GLU A 7 9.361 3.454 -9.140 1.00 10.00 C ATOM 102 O GLU A 7 10.151 3.871 -9.976 1.00 10.00 O ATOM 103 CB GLU A 7 9.916 1.394 -7.834 1.00 10.00 C ATOM 104 CG GLU A 7 11.004 0.867 -6.898 1.00 10.00 C ATOM 105 CD GLU A 7 10.838 -0.636 -6.681 1.00 10.00 C ATOM 106 OE1 GLU A 7 11.354 -1.395 -7.532 1.00 10.00 O ATOM 107 OE2 GLU A 7 10.204 -0.996 -5.662 1.00 10.00 O ATOM 0 H GLU A 7 8.595 2.774 -6.243 1.00 10.00 H new ATOM 0 HA GLU A 7 10.943 3.264 -7.739 1.00 10.00 H new ATOM 0 HB2 GLU A 7 8.942 1.021 -7.516 1.00 10.00 H new ATOM 0 HB3 GLU A 7 10.085 1.022 -8.845 1.00 10.00 H new ATOM 0 HG2 GLU A 7 11.987 1.073 -7.321 1.00 10.00 H new ATOM 0 HG3 GLU A 7 10.953 1.387 -5.941 1.00 10.00 H new ATOM 114 N CYS A 8 8.040 3.521 -9.288 1.00 10.00 N ATOM 115 CA CYS A 8 7.448 4.144 -10.453 1.00 10.00 C ATOM 116 C CYS A 8 7.777 5.625 -10.500 1.00 10.00 C ATOM 117 O CYS A 8 8.193 6.096 -11.530 1.00 10.00 O ATOM 118 CB CYS A 8 5.942 3.943 -10.456 1.00 10.00 C ATOM 119 SG CYS A 8 5.335 3.738 -12.140 1.00 10.00 S ATOM 0 H CYS A 8 7.368 3.151 -8.615 1.00 10.00 H new ATOM 0 HA CYS A 8 7.868 3.669 -11.340 1.00 10.00 H new ATOM 0 HB2 CYS A 8 5.685 3.066 -9.862 1.00 10.00 H new ATOM 0 HB3 CYS A 8 5.454 4.799 -9.989 1.00 10.00 H new ATOM 124 N TYR A 9 7.677 6.361 -9.407 1.00 10.00 N ATOM 125 CA TYR A 9 8.000 7.777 -9.310 1.00 10.00 C ATOM 126 C TYR A 9 9.461 8.065 -9.635 1.00 10.00 C ATOM 127 O TYR A 9 9.729 8.866 -10.519 1.00 10.00 O ATOM 128 CB TYR A 9 7.659 8.253 -7.900 1.00 10.00 C ATOM 129 CG TYR A 9 7.551 9.749 -7.787 1.00 10.00 C ATOM 130 CD1 TYR A 9 8.681 10.546 -7.521 1.00 10.00 C ATOM 131 CD2 TYR A 9 6.283 10.334 -7.895 1.00 10.00 C ATOM 132 CE1 TYR A 9 8.525 11.926 -7.286 1.00 10.00 C ATOM 133 CE2 TYR A 9 6.131 11.696 -7.622 1.00 10.00 C ATOM 134 CZ TYR A 9 7.231 12.507 -7.320 1.00 10.00 C ATOM 135 OH TYR A 9 6.987 13.820 -7.075 1.00 10.00 O ATOM 0 H TYR A 9 7.354 5.971 -8.521 1.00 10.00 H new ATOM 0 HA TYR A 9 7.410 8.319 -10.049 1.00 10.00 H new ATOM 0 HB2 TYR A 9 6.716 7.803 -7.590 1.00 10.00 H new ATOM 0 HB3 TYR A 9 8.424 7.898 -7.209 1.00 10.00 H new ATOM 0 HD1 TYR A 9 9.665 10.100 -7.497 1.00 10.00 H new ATOM 0 HD2 TYR A 9 5.431 9.738 -8.187 1.00 10.00 H new ATOM 0 HE1 TYR A 9 9.389 12.541 -7.080 1.00 10.00 H new ATOM 0 HE2 TYR A 9 5.143 12.132 -7.645 1.00 10.00 H new ATOM 0 HH TYR A 9 6.026 13.995 -7.155 1.00 10.00 H new ATOM 145 N ASP A 10 10.403 7.404 -8.957 1.00 10.00 N ATOM 146 CA ASP A 10 11.854 7.565 -9.158 1.00 10.00 C ATOM 147 C ASP A 10 12.264 7.198 -10.597 1.00 10.00 C ATOM 148 O ASP A 10 12.927 7.963 -11.304 1.00 10.00 O ATOM 149 CB ASP A 10 12.616 6.690 -8.136 1.00 10.00 C ATOM 150 CG ASP A 10 14.023 7.216 -7.836 1.00 10.00 C ATOM 151 OD1 ASP A 10 14.124 8.411 -7.482 1.00 10.00 O ATOM 152 OD2 ASP A 10 14.987 6.423 -7.922 1.00 10.00 O ATOM 0 H ASP A 10 10.176 6.723 -8.233 1.00 10.00 H new ATOM 0 HA ASP A 10 12.113 8.612 -9.001 1.00 10.00 H new ATOM 0 HB2 ASP A 10 12.045 6.643 -7.208 1.00 10.00 H new ATOM 0 HB3 ASP A 10 12.688 5.672 -8.518 1.00 10.00 H new ATOM 157 N THR A 11 11.825 6.022 -11.048 1.00 10.00 N ATOM 158 CA THR A 11 12.092 5.470 -12.391 1.00 10.00 C ATOM 159 C THR A 11 11.372 6.248 -13.493 1.00 10.00 C ATOM 160 O THR A 11 12.002 6.581 -14.497 1.00 10.00 O ATOM 161 CB THR A 11 11.732 3.977 -12.486 1.00 10.00 C ATOM 162 OG1 THR A 11 12.493 3.251 -11.553 1.00 10.00 O ATOM 163 CG2 THR A 11 11.983 3.333 -13.851 1.00 10.00 C ATOM 0 H THR A 11 11.254 5.401 -10.474 1.00 10.00 H new ATOM 0 HA THR A 11 13.166 5.576 -12.545 1.00 10.00 H new ATOM 0 HB THR A 11 10.659 3.939 -12.296 1.00 10.00 H new ATOM 0 HG1 THR A 11 12.019 3.222 -10.696 1.00 10.00 H new ATOM 0 HG21 THR A 11 11.698 2.282 -13.815 1.00 10.00 H new ATOM 0 HG22 THR A 11 11.390 3.844 -14.609 1.00 10.00 H new ATOM 0 HG23 THR A 11 13.040 3.414 -14.103 1.00 10.00 H new ATOM 171 N CYS A 12 10.107 6.633 -13.289 1.00 10.00 N ATOM 172 CA CYS A 12 9.407 7.570 -14.166 1.00 10.00 C ATOM 173 C CYS A 12 10.181 8.886 -14.195 1.00 10.00 C ATOM 174 O CYS A 12 10.469 9.388 -15.270 1.00 10.00 O ATOM 175 CB CYS A 12 7.938 7.789 -13.768 1.00 10.00 C ATOM 176 SG CYS A 12 7.017 8.714 -15.018 1.00 10.00 S ATOM 0 H CYS A 12 9.541 6.301 -12.508 1.00 10.00 H new ATOM 0 HA CYS A 12 9.371 7.137 -15.166 1.00 10.00 H new ATOM 0 HB2 CYS A 12 7.459 6.823 -13.609 1.00 10.00 H new ATOM 0 HB3 CYS A 12 7.897 8.325 -12.820 1.00 10.00 H new ATOM 0 HG CYS A 12 7.210 9.988 -14.845 1.00 10.00 H new ATOM 181 N HIS A 13 10.652 9.417 -13.058 1.00 10.00 N ATOM 182 CA HIS A 13 11.472 10.638 -13.017 1.00 10.00 C ATOM 183 C HIS A 13 12.743 10.569 -13.857 1.00 10.00 C ATOM 184 O HIS A 13 13.185 11.605 -14.332 1.00 10.00 O ATOM 185 CB HIS A 13 11.869 11.003 -11.592 1.00 10.00 C ATOM 186 CG HIS A 13 12.044 12.483 -11.454 1.00 10.00 C ATOM 187 ND1 HIS A 13 13.239 13.164 -11.475 1.00 10.00 N ATOM 188 CD2 HIS A 13 11.030 13.371 -11.249 1.00 10.00 C ATOM 189 CE1 HIS A 13 12.954 14.461 -11.259 1.00 10.00 C ATOM 190 NE2 HIS A 13 11.619 14.612 -11.112 1.00 10.00 N ATOM 0 H HIS A 13 10.475 9.012 -12.139 1.00 10.00 H new ATOM 0 HA HIS A 13 10.826 11.403 -13.446 1.00 10.00 H new ATOM 0 HB2 HIS A 13 11.105 10.656 -10.896 1.00 10.00 H new ATOM 0 HB3 HIS A 13 12.797 10.496 -11.326 1.00 10.00 H new ATOM 0 HD2 HIS A 13 9.974 13.148 -11.203 1.00 10.00 H new ATOM 0 HE1 HIS A 13 13.680 15.259 -11.211 1.00 10.00 H new ATOM 0 HE2 HIS A 13 11.132 15.490 -10.931 1.00 10.00 H new ATOM 199 N LYS A 14 13.335 9.386 -14.003 1.00 10.00 N ATOM 200 CA LYS A 14 14.438 9.073 -14.927 1.00 10.00 C ATOM 201 C LYS A 14 14.054 9.310 -16.384 1.00 10.00 C ATOM 202 O LYS A 14 14.524 10.287 -16.953 1.00 10.00 O ATOM 203 CB LYS A 14 14.960 7.650 -14.657 1.00 10.00 C ATOM 204 CG LYS A 14 16.413 7.683 -14.187 1.00 10.00 C ATOM 205 CD LYS A 14 16.706 6.496 -13.257 1.00 10.00 C ATOM 206 CE LYS A 14 17.573 6.998 -12.102 1.00 10.00 C ATOM 207 NZ LYS A 14 18.676 6.058 -11.812 1.00 10.00 N ATOM 0 H LYS A 14 13.049 8.574 -13.455 1.00 10.00 H new ATOM 0 HA LYS A 14 15.260 9.764 -14.738 1.00 10.00 H new ATOM 0 HB2 LYS A 14 14.340 7.168 -13.901 1.00 10.00 H new ATOM 0 HB3 LYS A 14 14.880 7.051 -15.564 1.00 10.00 H new ATOM 0 HG2 LYS A 14 17.080 7.651 -15.048 1.00 10.00 H new ATOM 0 HG3 LYS A 14 16.611 8.619 -13.665 1.00 10.00 H new ATOM 0 HD2 LYS A 14 15.776 6.071 -12.878 1.00 10.00 H new ATOM 0 HD3 LYS A 14 17.220 5.704 -13.802 1.00 10.00 H new ATOM 0 HE2 LYS A 14 17.982 7.977 -12.350 1.00 10.00 H new ATOM 0 HE3 LYS A 14 16.958 7.126 -11.211 1.00 10.00 H new ATOM 0 HZ1 LYS A 14 19.247 6.425 -11.024 1.00 10.00 H new ATOM 0 HZ2 LYS A 14 18.283 5.131 -11.552 1.00 10.00 H new ATOM 0 HZ3 LYS A 14 19.276 5.955 -12.656 1.00 10.00 H new ATOM 221 N GLU A 15 13.156 8.501 -16.939 1.00 10.00 N ATOM 222 CA GLU A 15 12.620 8.680 -18.308 1.00 10.00 C ATOM 223 C GLU A 15 11.848 10.007 -18.508 1.00 10.00 C ATOM 224 O GLU A 15 11.609 10.475 -19.617 1.00 10.00 O ATOM 225 CB GLU A 15 11.737 7.469 -18.647 1.00 10.00 C ATOM 226 CG GLU A 15 11.588 7.291 -20.168 1.00 10.00 C ATOM 227 CD GLU A 15 11.388 5.823 -20.575 1.00 10.00 C ATOM 228 OE1 GLU A 15 12.275 5.000 -20.242 1.00 10.00 O ATOM 229 OE2 GLU A 15 10.353 5.535 -21.220 1.00 10.00 O ATOM 0 H GLU A 15 12.768 7.691 -16.456 1.00 10.00 H new ATOM 0 HA GLU A 15 13.467 8.742 -18.992 1.00 10.00 H new ATOM 0 HB2 GLU A 15 12.171 6.568 -18.215 1.00 10.00 H new ATOM 0 HB3 GLU A 15 10.753 7.597 -18.196 1.00 10.00 H new ATOM 0 HG2 GLU A 15 10.740 7.880 -20.517 1.00 10.00 H new ATOM 0 HG3 GLU A 15 12.475 7.684 -20.665 1.00 10.00 H new ATOM 236 N CYS A 16 11.485 10.678 -17.419 1.00 10.00 N ATOM 237 CA CYS A 16 10.873 11.995 -17.439 1.00 10.00 C ATOM 238 C CYS A 16 11.903 13.124 -17.603 1.00 10.00 C ATOM 239 O CYS A 16 11.819 13.955 -18.503 1.00 10.00 O ATOM 240 CB CYS A 16 10.073 12.238 -16.171 1.00 10.00 C ATOM 241 SG CYS A 16 9.097 13.761 -16.314 1.00 10.00 S ATOM 0 H CYS A 16 11.613 10.309 -16.477 1.00 10.00 H new ATOM 0 HA CYS A 16 10.213 12.009 -18.306 1.00 10.00 H new ATOM 0 HB2 CYS A 16 9.412 11.392 -15.984 1.00 10.00 H new ATOM 0 HB3 CYS A 16 10.747 12.310 -15.317 1.00 10.00 H new ATOM 246 N SER A 17 12.844 13.228 -16.661 1.00 10.00 N ATOM 247 CA SER A 17 13.967 14.184 -16.725 1.00 10.00 C ATOM 248 C SER A 17 14.850 13.965 -17.970 1.00 10.00 C ATOM 249 O SER A 17 15.441 14.930 -18.442 1.00 10.00 O ATOM 250 CB SER A 17 14.826 14.087 -15.455 1.00 10.00 C ATOM 251 OG SER A 17 14.963 15.311 -14.752 1.00 10.00 O ATOM 0 H SER A 17 12.853 12.648 -15.822 1.00 10.00 H new ATOM 0 HA SER A 17 13.533 15.181 -16.798 1.00 10.00 H new ATOM 0 HB2 SER A 17 14.387 13.345 -14.788 1.00 10.00 H new ATOM 0 HB3 SER A 17 15.817 13.724 -15.727 1.00 10.00 H new ATOM 0 HG SER A 17 15.519 15.171 -13.957 1.00 10.00 H new ATOM 257 N ASP A 18 14.869 12.755 -18.550 1.00 10.00 N ATOM 258 CA ASP A 18 15.413 12.429 -19.890 1.00 10.00 C ATOM 259 C ASP A 18 14.878 13.373 -20.971 1.00 10.00 C ATOM 260 O ASP A 18 15.660 13.915 -21.751 1.00 10.00 O ATOM 261 CB ASP A 18 15.105 10.959 -20.225 1.00 10.00 C ATOM 262 CG ASP A 18 15.218 10.631 -21.721 1.00 10.00 C ATOM 263 OD1 ASP A 18 16.296 10.894 -22.298 1.00 10.00 O ATOM 264 OD2 ASP A 18 14.205 10.151 -22.275 1.00 10.00 O ATOM 0 H ASP A 18 14.489 11.934 -18.080 1.00 10.00 H new ATOM 0 HA ASP A 18 16.494 12.569 -19.867 1.00 10.00 H new ATOM 0 HB2 ASP A 18 15.789 10.318 -19.669 1.00 10.00 H new ATOM 0 HB3 ASP A 18 14.097 10.721 -19.885 1.00 10.00 H new ATOM 269 N LYS A 19 13.580 13.724 -20.944 1.00 10.00 N ATOM 270 CA LYS A 19 13.005 14.717 -21.850 1.00 10.00 C ATOM 271 C LYS A 19 13.663 16.103 -21.790 1.00 10.00 C ATOM 272 O LYS A 19 13.307 16.953 -22.606 1.00 10.00 O ATOM 273 CB LYS A 19 11.489 14.806 -21.603 1.00 10.00 C ATOM 274 CG LYS A 19 10.671 14.094 -22.678 1.00 10.00 C ATOM 275 CD LYS A 19 9.855 15.112 -23.468 1.00 10.00 C ATOM 276 CE LYS A 19 9.470 14.506 -24.813 1.00 10.00 C ATOM 277 NZ LYS A 19 10.482 14.853 -25.845 1.00 10.00 N ATOM 0 H LYS A 19 12.906 13.324 -20.291 1.00 10.00 H new ATOM 0 HA LYS A 19 13.207 14.369 -22.863 1.00 10.00 H new ATOM 0 HB2 LYS A 19 11.258 14.372 -20.630 1.00 10.00 H new ATOM 0 HB3 LYS A 19 11.193 15.854 -21.563 1.00 10.00 H new ATOM 0 HG2 LYS A 19 11.333 13.547 -23.349 1.00 10.00 H new ATOM 0 HG3 LYS A 19 10.008 13.362 -22.217 1.00 10.00 H new ATOM 0 HD2 LYS A 19 8.960 15.391 -22.911 1.00 10.00 H new ATOM 0 HD3 LYS A 19 10.434 16.023 -23.618 1.00 10.00 H new ATOM 0 HE2 LYS A 19 9.391 13.423 -24.722 1.00 10.00 H new ATOM 0 HE3 LYS A 19 8.490 14.873 -25.117 1.00 10.00 H new ATOM 0 HZ1 LYS A 19 10.207 14.434 -26.756 1.00 10.00 H new ATOM 0 HZ2 LYS A 19 10.538 15.887 -25.943 1.00 10.00 H new ATOM 0 HZ3 LYS A 19 11.411 14.482 -25.559 1.00 10.00 H new ATOM 291 N GLY A 20 14.547 16.332 -20.817 1.00 10.00 N ATOM 292 CA GLY A 20 15.300 17.558 -20.552 1.00 10.00 C ATOM 293 C GLY A 20 14.460 18.618 -19.841 1.00 10.00 C ATOM 294 O GLY A 20 14.785 19.802 -19.850 1.00 10.00 O ATOM 0 H GLY A 20 14.773 15.604 -20.139 1.00 10.00 H new ATOM 0 HA2 GLY A 20 16.172 17.321 -19.942 1.00 10.00 H new ATOM 0 HA3 GLY A 20 15.670 17.964 -21.493 1.00 10.00 H new ATOM 298 N ASN A 21 13.346 18.188 -19.248 1.00 10.00 N ATOM 299 CA ASN A 21 12.437 19.031 -18.489 1.00 10.00 C ATOM 300 C ASN A 21 12.979 19.352 -17.092 1.00 10.00 C ATOM 301 O ASN A 21 13.910 18.727 -16.583 1.00 10.00 O ATOM 302 CB ASN A 21 11.049 18.373 -18.431 1.00 10.00 C ATOM 303 CG ASN A 21 10.080 18.978 -19.424 1.00 10.00 C ATOM 304 OD1 ASN A 21 9.908 20.178 -19.505 1.00 10.00 O ATOM 305 ND2 ASN A 21 9.337 18.178 -20.146 1.00 10.00 N ATOM 0 H ASN A 21 13.047 17.214 -19.287 1.00 10.00 H new ATOM 0 HA ASN A 21 12.346 19.989 -19.001 1.00 10.00 H new ATOM 0 HB2 ASN A 21 11.148 17.306 -18.628 1.00 10.00 H new ATOM 0 HB3 ASN A 21 10.644 18.475 -17.424 1.00 10.00 H new ATOM 0 HD21 ASN A 21 8.625 18.564 -20.766 1.00 10.00 H new ATOM 0 HD22 ASN A 21 9.470 17.168 -20.089 1.00 10.00 H new ATOM 312 N GLY A 22 12.300 20.277 -16.415 1.00 10.00 N ATOM 313 CA GLY A 22 12.608 20.599 -15.021 1.00 10.00 C ATOM 314 C GLY A 22 12.220 19.457 -14.080 1.00 10.00 C ATOM 315 O GLY A 22 11.192 18.811 -14.276 1.00 10.00 O ATOM 0 H GLY A 22 11.531 20.818 -16.810 1.00 10.00 H new ATOM 0 HA2 GLY A 22 13.673 20.807 -14.922 1.00 10.00 H new ATOM 0 HA3 GLY A 22 12.078 21.506 -14.731 1.00 10.00 H new ATOM 319 N PHE A 23 13.001 19.272 -13.009 1.00 10.00 N ATOM 320 CA PHE A 23 12.777 18.271 -11.946 1.00 10.00 C ATOM 321 C PHE A 23 11.350 18.318 -11.399 1.00 10.00 C ATOM 322 O PHE A 23 10.677 17.298 -11.451 1.00 10.00 O ATOM 323 CB PHE A 23 13.779 18.479 -10.791 1.00 10.00 C ATOM 324 CG PHE A 23 13.848 17.347 -9.771 1.00 10.00 C ATOM 325 CD1 PHE A 23 12.740 16.960 -8.977 1.00 10.00 C ATOM 326 CD2 PHE A 23 15.068 16.658 -9.613 1.00 10.00 C ATOM 327 CE1 PHE A 23 12.861 15.875 -8.093 1.00 10.00 C ATOM 328 CE2 PHE A 23 15.171 15.565 -8.734 1.00 10.00 C ATOM 329 CZ PHE A 23 14.055 15.158 -7.988 1.00 10.00 C ATOM 0 H PHE A 23 13.838 19.833 -12.848 1.00 10.00 H new ATOM 0 HA PHE A 23 12.931 17.290 -12.396 1.00 10.00 H new ATOM 0 HB2 PHE A 23 14.772 18.623 -11.216 1.00 10.00 H new ATOM 0 HB3 PHE A 23 13.519 19.400 -10.269 1.00 10.00 H new ATOM 0 HD1 PHE A 23 11.806 17.497 -9.051 1.00 10.00 H new ATOM 0 HD2 PHE A 23 15.935 16.974 -10.174 1.00 10.00 H new ATOM 0 HE1 PHE A 23 12.016 15.590 -7.484 1.00 10.00 H new ATOM 0 HE2 PHE A 23 16.109 15.039 -8.633 1.00 10.00 H new ATOM 0 HZ PHE A 23 14.118 14.298 -7.338 1.00 10.00 H new ATOM 339 N THR A 24 10.923 19.478 -10.884 1.00 10.00 N ATOM 340 CA THR A 24 9.593 19.766 -10.300 1.00 10.00 C ATOM 341 C THR A 24 8.464 19.387 -11.246 1.00 10.00 C ATOM 342 O THR A 24 7.585 18.616 -10.886 1.00 10.00 O ATOM 343 CB THR A 24 9.467 21.265 -9.923 1.00 10.00 C ATOM 344 OG1 THR A 24 9.930 21.456 -8.616 1.00 10.00 O ATOM 345 CG2 THR A 24 8.066 21.894 -10.056 1.00 10.00 C ATOM 0 H THR A 24 11.531 20.297 -10.859 1.00 10.00 H new ATOM 0 HA THR A 24 9.506 19.157 -9.400 1.00 10.00 H new ATOM 0 HB THR A 24 10.076 21.783 -10.664 1.00 10.00 H new ATOM 0 HG1 THR A 24 9.853 22.403 -8.377 1.00 10.00 H new ATOM 0 HG21 THR A 24 8.109 22.943 -9.764 1.00 10.00 H new ATOM 0 HG22 THR A 24 7.730 21.819 -11.090 1.00 10.00 H new ATOM 0 HG23 THR A 24 7.367 21.365 -9.408 1.00 10.00 H new ATOM 353 N PHE A 25 8.491 19.926 -12.468 1.00 10.00 N ATOM 354 CA PHE A 25 7.533 19.571 -13.508 1.00 10.00 C ATOM 355 C PHE A 25 7.510 18.064 -13.721 1.00 10.00 C ATOM 356 O PHE A 25 6.445 17.462 -13.695 1.00 10.00 O ATOM 357 CB PHE A 25 7.889 20.300 -14.802 1.00 10.00 C ATOM 358 CG PHE A 25 7.096 19.795 -15.990 1.00 10.00 C ATOM 359 CD1 PHE A 25 5.774 20.234 -16.199 1.00 10.00 C ATOM 360 CD2 PHE A 25 7.654 18.819 -16.840 1.00 10.00 C ATOM 361 CE1 PHE A 25 5.050 19.767 -17.310 1.00 10.00 C ATOM 362 CE2 PHE A 25 6.920 18.336 -17.934 1.00 10.00 C ATOM 363 CZ PHE A 25 5.633 18.837 -18.190 1.00 10.00 C ATOM 0 H PHE A 25 9.179 20.620 -12.760 1.00 10.00 H new ATOM 0 HA PHE A 25 6.535 19.878 -13.196 1.00 10.00 H new ATOM 0 HB2 PHE A 25 7.708 21.367 -14.676 1.00 10.00 H new ATOM 0 HB3 PHE A 25 8.954 20.179 -15.002 1.00 10.00 H new ATOM 0 HD1 PHE A 25 5.318 20.927 -15.508 1.00 10.00 H new ATOM 0 HD2 PHE A 25 8.648 18.442 -16.649 1.00 10.00 H new ATOM 0 HE1 PHE A 25 4.046 20.122 -17.488 1.00 10.00 H new ATOM 0 HE2 PHE A 25 7.344 17.580 -18.578 1.00 10.00 H new ATOM 0 HZ PHE A 25 5.090 18.508 -19.064 1.00 10.00 H new ATOM 373 N CYS A 26 8.683 17.452 -13.880 1.00 10.00 N ATOM 374 CA CYS A 26 8.795 16.024 -13.994 1.00 10.00 C ATOM 375 C CYS A 26 8.250 15.277 -12.792 1.00 10.00 C ATOM 376 O CYS A 26 7.648 14.252 -12.991 1.00 10.00 O ATOM 377 CB CYS A 26 10.246 15.653 -14.277 1.00 10.00 C ATOM 378 SG CYS A 26 10.403 15.327 -16.037 1.00 10.00 S ATOM 0 H CYS A 26 9.574 17.945 -13.932 1.00 10.00 H new ATOM 0 HA CYS A 26 8.169 15.710 -14.829 1.00 10.00 H new ATOM 0 HB2 CYS A 26 10.912 16.463 -13.979 1.00 10.00 H new ATOM 0 HB3 CYS A 26 10.534 14.775 -13.700 1.00 10.00 H new ATOM 383 N GLU A 27 8.412 15.781 -11.579 1.00 10.00 N ATOM 384 CA GLU A 27 7.867 15.255 -10.330 1.00 10.00 C ATOM 385 C GLU A 27 6.347 15.330 -10.314 1.00 10.00 C ATOM 386 O GLU A 27 5.716 14.303 -10.492 1.00 10.00 O ATOM 387 CB GLU A 27 8.476 16.013 -9.139 1.00 10.00 C ATOM 388 CG GLU A 27 9.456 15.141 -8.364 1.00 10.00 C ATOM 389 CD GLU A 27 9.581 15.502 -6.870 1.00 10.00 C ATOM 390 OE1 GLU A 27 9.201 16.635 -6.499 1.00 10.00 O ATOM 391 OE2 GLU A 27 10.224 14.694 -6.159 1.00 10.00 O ATOM 0 H GLU A 27 8.964 16.625 -11.427 1.00 10.00 H new ATOM 0 HA GLU A 27 8.135 14.202 -10.248 1.00 10.00 H new ATOM 0 HB2 GLU A 27 8.987 16.906 -9.498 1.00 10.00 H new ATOM 0 HB3 GLU A 27 7.680 16.347 -8.474 1.00 10.00 H new ATOM 0 HG2 GLU A 27 9.144 14.100 -8.450 1.00 10.00 H new ATOM 0 HG3 GLU A 27 10.439 15.219 -8.828 1.00 10.00 H new ATOM 398 N MET A 28 5.772 16.535 -10.237 1.00 10.00 N ATOM 399 CA MET A 28 4.325 16.814 -10.284 1.00 10.00 C ATOM 400 C MET A 28 3.603 16.070 -11.412 1.00 10.00 C ATOM 401 O MET A 28 2.425 15.734 -11.305 1.00 10.00 O ATOM 402 CB MET A 28 4.115 18.329 -10.474 1.00 10.00 C ATOM 403 CG MET A 28 3.635 19.017 -9.202 1.00 10.00 C ATOM 404 SD MET A 28 1.884 18.669 -8.883 1.00 10.00 S ATOM 405 CE MET A 28 1.406 20.159 -7.981 1.00 10.00 C ATOM 0 H MET A 28 6.326 17.386 -10.135 1.00 10.00 H new ATOM 0 HA MET A 28 3.900 16.464 -9.343 1.00 10.00 H new ATOM 0 HB2 MET A 28 5.051 18.784 -10.798 1.00 10.00 H new ATOM 0 HB3 MET A 28 3.388 18.495 -11.269 1.00 10.00 H new ATOM 0 HG2 MET A 28 4.234 18.681 -8.356 1.00 10.00 H new ATOM 0 HG3 MET A 28 3.784 20.093 -9.290 1.00 10.00 H new ATOM 0 HE1 MET A 28 0.351 20.099 -7.712 1.00 10.00 H new ATOM 0 HE2 MET A 28 2.007 20.245 -7.076 1.00 10.00 H new ATOM 0 HE3 MET A 28 1.571 21.034 -8.610 1.00 10.00 H new ATOM 415 N LYS A 29 4.314 15.819 -12.515 1.00 10.00 N ATOM 416 CA LYS A 29 3.846 14.963 -13.595 1.00 10.00 C ATOM 417 C LYS A 29 3.986 13.482 -13.250 1.00 10.00 C ATOM 418 O LYS A 29 2.966 12.820 -13.221 1.00 10.00 O ATOM 419 CB LYS A 29 4.517 15.369 -14.907 1.00 10.00 C ATOM 420 CG LYS A 29 3.628 15.004 -16.098 1.00 10.00 C ATOM 421 CD LYS A 29 3.607 13.501 -16.387 1.00 10.00 C ATOM 422 CE LYS A 29 2.782 13.189 -17.620 1.00 10.00 C ATOM 423 NZ LYS A 29 3.656 12.933 -18.781 1.00 10.00 N ATOM 0 H LYS A 29 5.241 16.212 -12.680 1.00 10.00 H new ATOM 0 HA LYS A 29 2.775 15.109 -13.733 1.00 10.00 H new ATOM 0 HB2 LYS A 29 4.712 16.441 -14.906 1.00 10.00 H new ATOM 0 HB3 LYS A 29 5.482 14.870 -14.999 1.00 10.00 H new ATOM 0 HG2 LYS A 29 2.611 15.346 -15.904 1.00 10.00 H new ATOM 0 HG3 LYS A 29 3.979 15.534 -16.983 1.00 10.00 H new ATOM 0 HD2 LYS A 29 4.626 13.141 -16.528 1.00 10.00 H new ATOM 0 HD3 LYS A 29 3.197 12.969 -15.528 1.00 10.00 H new ATOM 0 HE2 LYS A 29 2.154 12.318 -17.433 1.00 10.00 H new ATOM 0 HE3 LYS A 29 2.115 14.023 -17.838 1.00 10.00 H new ATOM 0 HZ1 LYS A 29 3.072 12.721 -19.615 1.00 10.00 H new ATOM 0 HZ2 LYS A 29 4.238 13.774 -18.970 1.00 10.00 H new ATOM 0 HZ3 LYS A 29 4.275 12.123 -18.577 1.00 10.00 H new ATOM 437 N CYS A 30 5.195 12.965 -13.036 1.00 10.00 N ATOM 438 CA CYS A 30 5.501 11.588 -12.600 1.00 10.00 C ATOM 439 C CYS A 30 4.663 11.074 -11.422 1.00 10.00 C ATOM 440 O CYS A 30 4.426 9.873 -11.331 1.00 10.00 O ATOM 441 CB CYS A 30 6.965 11.494 -12.184 1.00 10.00 C ATOM 442 SG CYS A 30 8.114 11.553 -13.579 1.00 10.00 S ATOM 0 H CYS A 30 6.040 13.521 -13.167 1.00 10.00 H new ATOM 0 HA CYS A 30 5.262 10.967 -13.463 1.00 10.00 H new ATOM 0 HB2 CYS A 30 7.194 12.311 -11.500 1.00 10.00 H new ATOM 0 HB3 CYS A 30 7.120 10.565 -11.634 1.00 10.00 H new ATOM 0 HG CYS A 30 8.368 12.792 -13.880 1.00 10.00 H new ATOM 447 N ASP A 31 4.228 11.991 -10.561 1.00 10.00 N ATOM 448 CA ASP A 31 3.250 11.834 -9.485 1.00 10.00 C ATOM 449 C ASP A 31 1.918 11.341 -10.044 1.00 10.00 C ATOM 450 O ASP A 31 1.508 10.206 -9.836 1.00 10.00 O ATOM 451 CB ASP A 31 3.111 13.191 -8.746 1.00 10.00 C ATOM 452 CG ASP A 31 2.846 13.020 -7.251 1.00 10.00 C ATOM 453 OD1 ASP A 31 2.219 12.010 -6.871 1.00 10.00 O ATOM 454 OD2 ASP A 31 3.384 13.864 -6.498 1.00 10.00 O ATOM 0 H ASP A 31 4.581 12.947 -10.601 1.00 10.00 H new ATOM 0 HA ASP A 31 3.585 11.082 -8.771 1.00 10.00 H new ATOM 0 HB2 ASP A 31 4.023 13.772 -8.886 1.00 10.00 H new ATOM 0 HB3 ASP A 31 2.297 13.762 -9.193 1.00 10.00 H new ATOM 459 N THR A 32 1.281 12.181 -10.856 1.00 10.00 N ATOM 460 CA THR A 32 -0.006 11.852 -11.481 1.00 10.00 C ATOM 461 C THR A 32 0.121 10.800 -12.599 1.00 10.00 C ATOM 462 O THR A 32 -0.858 10.097 -12.850 1.00 10.00 O ATOM 463 CB THR A 32 -0.698 13.143 -11.962 1.00 10.00 C ATOM 464 OG1 THR A 32 -1.412 13.736 -10.901 1.00 10.00 O ATOM 465 CG2 THR A 32 -1.720 12.989 -13.090 1.00 10.00 C ATOM 0 H THR A 32 1.637 13.105 -11.101 1.00 10.00 H new ATOM 0 HA THR A 32 -0.636 11.384 -10.725 1.00 10.00 H new ATOM 0 HB THR A 32 0.135 13.737 -12.338 1.00 10.00 H new ATOM 0 HG1 THR A 32 -1.846 14.556 -11.217 1.00 10.00 H new ATOM 0 HG21 THR A 32 -2.137 13.965 -13.339 1.00 10.00 H new ATOM 0 HG22 THR A 32 -1.231 12.568 -13.969 1.00 10.00 H new ATOM 0 HG23 THR A 32 -2.521 12.324 -12.767 1.00 10.00 H new ATOM 473 N ASP A 33 1.286 10.681 -13.255 1.00 10.00 N ATOM 474 CA ASP A 33 1.636 9.736 -14.321 1.00 10.00 C ATOM 475 C ASP A 33 1.355 8.297 -13.891 1.00 10.00 C ATOM 476 O ASP A 33 0.415 7.651 -14.363 1.00 10.00 O ATOM 477 CB ASP A 33 3.122 9.909 -14.700 1.00 10.00 C ATOM 478 CG ASP A 33 3.524 9.011 -15.862 1.00 10.00 C ATOM 479 OD1 ASP A 33 3.394 9.503 -17.010 1.00 10.00 O ATOM 480 OD2 ASP A 33 3.978 7.881 -15.578 1.00 10.00 O ATOM 0 H ASP A 33 2.070 11.295 -13.033 1.00 10.00 H new ATOM 0 HA ASP A 33 1.018 9.948 -15.193 1.00 10.00 H new ATOM 0 HB2 ASP A 33 3.310 10.950 -14.965 1.00 10.00 H new ATOM 0 HB3 ASP A 33 3.745 9.683 -13.835 1.00 10.00 H new ATOM 485 N CYS A 34 2.168 7.824 -12.951 1.00 10.00 N ATOM 486 CA CYS A 34 2.020 6.514 -12.371 1.00 10.00 C ATOM 487 C CYS A 34 1.078 6.636 -11.176 1.00 10.00 C ATOM 488 O CYS A 34 1.530 6.827 -10.060 1.00 10.00 O ATOM 489 CB CYS A 34 3.394 5.956 -12.000 1.00 10.00 C ATOM 490 SG CYS A 34 3.375 4.150 -11.934 1.00 10.00 S ATOM 0 H CYS A 34 2.954 8.354 -12.574 1.00 10.00 H new ATOM 0 HA CYS A 34 1.584 5.807 -13.077 1.00 10.00 H new ATOM 0 HB2 CYS A 34 4.132 6.287 -12.730 1.00 10.00 H new ATOM 0 HB3 CYS A 34 3.701 6.354 -11.033 1.00 10.00 H new ATOM 495 N SER A 35 -0.230 6.504 -11.397 1.00 10.00 N ATOM 496 CA SER A 35 -1.275 6.590 -10.364 1.00 10.00 C ATOM 497 C SER A 35 -2.050 5.284 -10.331 1.00 10.00 C ATOM 498 O SER A 35 -2.835 4.975 -11.232 1.00 10.00 O ATOM 499 CB SER A 35 -2.245 7.756 -10.578 1.00 10.00 C ATOM 500 OG SER A 35 -1.709 8.999 -10.201 1.00 10.00 O ATOM 0 H SER A 35 -0.609 6.329 -12.328 1.00 10.00 H new ATOM 0 HA SER A 35 -0.773 6.772 -9.414 1.00 10.00 H new ATOM 0 HB2 SER A 35 -2.530 7.795 -11.629 1.00 10.00 H new ATOM 0 HB3 SER A 35 -3.155 7.572 -10.007 1.00 10.00 H new ATOM 0 HG SER A 35 -1.385 9.470 -10.997 1.00 10.00 H new ATOM 506 N VAL A 36 -1.782 4.476 -9.303 1.00 10.00 N ATOM 507 CA VAL A 36 -2.461 3.206 -9.084 1.00 10.00 C ATOM 508 C VAL A 36 -3.911 3.456 -8.632 1.00 10.00 C ATOM 509 O VAL A 36 -4.417 4.581 -8.606 1.00 10.00 O ATOM 510 CB VAL A 36 -1.654 2.244 -8.167 1.00 10.00 C ATOM 511 CG1 VAL A 36 -1.980 0.759 -8.467 1.00 10.00 C ATOM 512 CG2 VAL A 36 -0.129 2.471 -8.236 1.00 10.00 C ATOM 0 H VAL A 36 -1.080 4.691 -8.595 1.00 10.00 H new ATOM 0 HA VAL A 36 -2.517 2.669 -10.031 1.00 10.00 H new ATOM 0 HB VAL A 36 -1.971 2.480 -7.151 1.00 10.00 H new ATOM 0 HG11 VAL A 36 -1.397 0.118 -7.806 1.00 10.00 H new ATOM 0 HG12 VAL A 36 -3.042 0.579 -8.302 1.00 10.00 H new ATOM 0 HG13 VAL A 36 -1.731 0.534 -9.504 1.00 10.00 H new ATOM 0 HG21 VAL A 36 0.374 1.767 -7.573 1.00 10.00 H new ATOM 0 HG22 VAL A 36 0.216 2.316 -9.258 1.00 10.00 H new ATOM 0 HG23 VAL A 36 0.102 3.490 -7.926 1.00 10.00 H new ATOM 522 N LYS A 37 -4.616 2.381 -8.307 1.00 10.00 N ATOM 523 CA LYS A 37 -5.973 2.420 -7.771 1.00 10.00 C ATOM 524 C LYS A 37 -6.099 1.500 -6.558 1.00 10.00 C ATOM 525 O LYS A 37 -5.109 0.978 -6.061 1.00 10.00 O ATOM 526 CB LYS A 37 -6.978 2.145 -8.913 1.00 10.00 C ATOM 527 CG LYS A 37 -7.970 3.311 -9.053 1.00 10.00 C ATOM 528 CD LYS A 37 -9.345 2.803 -9.484 1.00 10.00 C ATOM 529 CE LYS A 37 -10.378 3.926 -9.341 1.00 10.00 C ATOM 530 NZ LYS A 37 -10.824 4.454 -10.654 1.00 10.00 N ATOM 0 H LYS A 37 -4.253 1.434 -8.411 1.00 10.00 H new ATOM 0 HA LYS A 37 -6.215 3.411 -7.388 1.00 10.00 H new ATOM 0 HB2 LYS A 37 -6.441 2.003 -9.851 1.00 10.00 H new ATOM 0 HB3 LYS A 37 -7.520 1.221 -8.713 1.00 10.00 H new ATOM 0 HG2 LYS A 37 -8.054 3.840 -8.103 1.00 10.00 H new ATOM 0 HG3 LYS A 37 -7.596 4.027 -9.785 1.00 10.00 H new ATOM 0 HD2 LYS A 37 -9.309 2.459 -10.517 1.00 10.00 H new ATOM 0 HD3 LYS A 37 -9.636 1.948 -8.873 1.00 10.00 H new ATOM 0 HE2 LYS A 37 -11.242 3.554 -8.790 1.00 10.00 H new ATOM 0 HE3 LYS A 37 -9.950 4.737 -8.753 1.00 10.00 H new ATOM 0 HZ1 LYS A 37 -11.522 5.211 -10.505 1.00 10.00 H new ATOM 0 HZ2 LYS A 37 -10.006 4.834 -11.171 1.00 10.00 H new ATOM 0 HZ3 LYS A 37 -11.258 3.688 -11.207 1.00 10.00 H new ATOM 544 N ASP A 38 -7.332 1.323 -6.104 1.00 10.00 N ATOM 545 CA ASP A 38 -7.711 0.427 -5.018 1.00 10.00 C ATOM 546 C ASP A 38 -8.268 -0.876 -5.607 1.00 10.00 C ATOM 547 O ASP A 38 -9.029 -0.844 -6.580 1.00 10.00 O ATOM 548 CB ASP A 38 -8.771 1.124 -4.150 1.00 10.00 C ATOM 549 CG ASP A 38 -8.434 0.992 -2.673 1.00 10.00 C ATOM 550 OD1 ASP A 38 -8.797 -0.066 -2.118 1.00 10.00 O ATOM 551 OD2 ASP A 38 -7.867 1.958 -2.127 1.00 10.00 O ATOM 0 H ASP A 38 -8.130 1.821 -6.499 1.00 10.00 H new ATOM 0 HA ASP A 38 -6.845 0.188 -4.401 1.00 10.00 H new ATOM 0 HB2 ASP A 38 -8.833 2.178 -4.420 1.00 10.00 H new ATOM 0 HB3 ASP A 38 -9.751 0.687 -4.344 1.00 10.00 H new ATOM 556 N VAL A 39 -7.923 -2.003 -4.985 1.00 10.00 N ATOM 557 CA VAL A 39 -8.413 -3.364 -5.264 1.00 10.00 C ATOM 558 C VAL A 39 -9.442 -3.778 -4.206 1.00 10.00 C ATOM 559 O VAL A 39 -9.371 -4.836 -3.584 1.00 10.00 O ATOM 560 CB VAL A 39 -7.238 -4.352 -5.426 1.00 10.00 C ATOM 561 CG1 VAL A 39 -6.389 -4.540 -4.153 1.00 10.00 C ATOM 562 CG2 VAL A 39 -7.713 -5.681 -6.053 1.00 10.00 C ATOM 0 H VAL A 39 -7.248 -1.995 -4.220 1.00 10.00 H new ATOM 0 HA VAL A 39 -8.935 -3.381 -6.221 1.00 10.00 H new ATOM 0 HB VAL A 39 -6.543 -3.893 -6.129 1.00 10.00 H new ATOM 0 HG11 VAL A 39 -5.586 -5.249 -4.353 1.00 10.00 H new ATOM 0 HG12 VAL A 39 -5.962 -3.582 -3.856 1.00 10.00 H new ATOM 0 HG13 VAL A 39 -7.018 -4.922 -3.349 1.00 10.00 H new ATOM 0 HG21 VAL A 39 -6.865 -6.358 -6.156 1.00 10.00 H new ATOM 0 HG22 VAL A 39 -8.466 -6.137 -5.411 1.00 10.00 H new ATOM 0 HG23 VAL A 39 -8.143 -5.487 -7.036 1.00 10.00 H new ATOM 572 N LYS A 40 -10.438 -2.914 -3.990 1.00 10.00 N ATOM 573 CA LYS A 40 -11.515 -3.196 -3.037 1.00 10.00 C ATOM 574 C LYS A 40 -12.143 -4.570 -3.259 1.00 10.00 C ATOM 575 O LYS A 40 -12.369 -5.002 -4.391 1.00 10.00 O ATOM 576 CB LYS A 40 -12.614 -2.140 -3.099 1.00 10.00 C ATOM 577 CG LYS A 40 -12.157 -0.761 -2.595 1.00 10.00 C ATOM 578 CD LYS A 40 -13.128 -0.181 -1.559 1.00 10.00 C ATOM 579 CE LYS A 40 -12.786 -0.738 -0.170 1.00 10.00 C ATOM 580 NZ LYS A 40 -13.921 -0.587 0.777 1.00 10.00 N ATOM 0 H LYS A 40 -10.521 -2.014 -4.462 1.00 10.00 H new ATOM 0 HA LYS A 40 -11.048 -3.178 -2.052 1.00 10.00 H new ATOM 0 HB2 LYS A 40 -12.962 -2.047 -4.128 1.00 10.00 H new ATOM 0 HB3 LYS A 40 -13.464 -2.474 -2.504 1.00 10.00 H new ATOM 0 HG2 LYS A 40 -11.164 -0.846 -2.154 1.00 10.00 H new ATOM 0 HG3 LYS A 40 -12.074 -0.075 -3.438 1.00 10.00 H new ATOM 0 HD2 LYS A 40 -13.063 0.907 -1.553 1.00 10.00 H new ATOM 0 HD3 LYS A 40 -14.154 -0.437 -1.823 1.00 10.00 H new ATOM 0 HE2 LYS A 40 -12.521 -1.792 -0.256 1.00 10.00 H new ATOM 0 HE3 LYS A 40 -11.912 -0.221 0.224 1.00 10.00 H new ATOM 0 HZ1 LYS A 40 -13.653 -0.974 1.704 1.00 10.00 H new ATOM 0 HZ2 LYS A 40 -14.157 0.421 0.878 1.00 10.00 H new ATOM 0 HZ3 LYS A 40 -14.748 -1.102 0.413 1.00 10.00 H new ATOM 594 N GLU A 41 -12.486 -5.202 -2.140 1.00 10.00 N ATOM 595 CA GLU A 41 -13.053 -6.542 -2.147 1.00 10.00 C ATOM 596 C GLU A 41 -14.526 -6.516 -2.562 1.00 10.00 C ATOM 597 O GLU A 41 -15.123 -5.470 -2.844 1.00 10.00 O ATOM 598 CB GLU A 41 -12.808 -7.236 -0.789 1.00 10.00 C ATOM 599 CG GLU A 41 -11.624 -8.197 -0.921 1.00 10.00 C ATOM 600 CD GLU A 41 -11.568 -9.092 0.311 1.00 10.00 C ATOM 601 OE1 GLU A 41 -11.014 -8.631 1.331 1.00 10.00 O ATOM 602 OE2 GLU A 41 -12.146 -10.197 0.210 1.00 10.00 O ATOM 0 H GLU A 41 -12.378 -4.800 -1.209 1.00 10.00 H new ATOM 0 HA GLU A 41 -12.544 -7.143 -2.901 1.00 10.00 H new ATOM 0 HB2 GLU A 41 -12.604 -6.492 -0.019 1.00 10.00 H new ATOM 0 HB3 GLU A 41 -13.700 -7.780 -0.479 1.00 10.00 H new ATOM 0 HG2 GLU A 41 -11.730 -8.803 -1.821 1.00 10.00 H new ATOM 0 HG3 GLU A 41 -10.694 -7.637 -1.021 1.00 10.00 H new ATOM 609 N LYS A 42 -15.130 -7.700 -2.596 1.00 10.00 N ATOM 610 CA LYS A 42 -16.551 -7.889 -2.838 1.00 10.00 C ATOM 611 C LYS A 42 -17.221 -8.213 -1.507 1.00 10.00 C ATOM 612 O LYS A 42 -17.372 -9.375 -1.156 1.00 10.00 O ATOM 613 CB LYS A 42 -16.718 -8.955 -3.923 1.00 10.00 C ATOM 614 CG LYS A 42 -18.186 -9.078 -4.343 1.00 10.00 C ATOM 615 CD LYS A 42 -18.345 -9.505 -5.812 1.00 10.00 C ATOM 616 CE LYS A 42 -18.876 -8.328 -6.647 1.00 10.00 C ATOM 617 NZ LYS A 42 -17.791 -7.552 -7.307 1.00 10.00 N ATOM 0 H LYS A 42 -14.628 -8.576 -2.452 1.00 10.00 H new ATOM 0 HA LYS A 42 -17.044 -6.994 -3.217 1.00 10.00 H new ATOM 0 HB2 LYS A 42 -16.108 -8.698 -4.789 1.00 10.00 H new ATOM 0 HB3 LYS A 42 -16.359 -9.916 -3.554 1.00 10.00 H new ATOM 0 HG2 LYS A 42 -18.685 -9.804 -3.701 1.00 10.00 H new ATOM 0 HG3 LYS A 42 -18.686 -8.121 -4.190 1.00 10.00 H new ATOM 0 HD2 LYS A 42 -17.386 -9.839 -6.208 1.00 10.00 H new ATOM 0 HD3 LYS A 42 -19.030 -10.350 -5.882 1.00 10.00 H new ATOM 0 HE2 LYS A 42 -19.559 -8.707 -7.407 1.00 10.00 H new ATOM 0 HE3 LYS A 42 -19.452 -7.663 -6.004 1.00 10.00 H new ATOM 0 HZ1 LYS A 42 -18.206 -6.772 -7.855 1.00 10.00 H new ATOM 0 HZ2 LYS A 42 -17.152 -7.165 -6.584 1.00 10.00 H new ATOM 0 HZ3 LYS A 42 -17.256 -8.176 -7.944 1.00 10.00 H new ATOM 631 N LEU A 43 -17.577 -7.154 -0.778 1.00 10.00 N ATOM 632 CA LEU A 43 -18.344 -7.237 0.467 1.00 10.00 C ATOM 633 C LEU A 43 -19.584 -8.129 0.302 1.00 10.00 C ATOM 634 O LEU A 43 -20.218 -8.143 -0.758 1.00 10.00 O ATOM 635 CB LEU A 43 -18.689 -5.819 0.980 1.00 10.00 C ATOM 636 CG LEU A 43 -19.938 -5.156 0.322 1.00 10.00 C ATOM 637 CD1 LEU A 43 -21.238 -5.399 1.112 1.00 10.00 C ATOM 638 CD2 LEU A 43 -19.734 -3.657 0.043 1.00 10.00 C ATOM 0 H LEU A 43 -17.337 -6.198 -1.040 1.00 10.00 H new ATOM 0 HA LEU A 43 -17.728 -7.715 1.229 1.00 10.00 H new ATOM 0 HB2 LEU A 43 -18.850 -5.870 2.057 1.00 10.00 H new ATOM 0 HB3 LEU A 43 -17.827 -5.172 0.817 1.00 10.00 H new ATOM 0 HG LEU A 43 -20.052 -5.656 -0.640 1.00 10.00 H new ATOM 0 HD11 LEU A 43 -22.070 -4.912 0.603 1.00 10.00 H new ATOM 0 HD12 LEU A 43 -21.429 -6.470 1.177 1.00 10.00 H new ATOM 0 HD13 LEU A 43 -21.136 -4.987 2.116 1.00 10.00 H new ATOM 0 HD21 LEU A 43 -20.634 -3.246 -0.415 1.00 10.00 H new ATOM 0 HD22 LEU A 43 -19.534 -3.137 0.980 1.00 10.00 H new ATOM 0 HD23 LEU A 43 -18.890 -3.524 -0.634 1.00 10.00 H new ATOM 650 N GLU A 44 -19.917 -8.857 1.359 1.00 10.00 N ATOM 651 CA GLU A 44 -21.045 -9.779 1.382 1.00 10.00 C ATOM 652 C GLU A 44 -22.314 -9.081 1.861 1.00 10.00 C ATOM 653 O GLU A 44 -22.287 -7.986 2.420 1.00 10.00 O ATOM 654 CB GLU A 44 -20.713 -10.968 2.287 1.00 10.00 C ATOM 655 CG GLU A 44 -20.729 -10.563 3.767 1.00 10.00 C ATOM 656 CD GLU A 44 -19.971 -11.584 4.607 1.00 10.00 C ATOM 657 OE1 GLU A 44 -20.574 -12.644 4.890 1.00 10.00 O ATOM 658 OE2 GLU A 44 -18.804 -11.288 4.944 1.00 10.00 O ATOM 0 H GLU A 44 -19.403 -8.823 2.239 1.00 10.00 H new ATOM 0 HA GLU A 44 -21.226 -10.136 0.368 1.00 10.00 H new ATOM 0 HB2 GLU A 44 -21.434 -11.768 2.119 1.00 10.00 H new ATOM 0 HB3 GLU A 44 -19.731 -11.363 2.026 1.00 10.00 H new ATOM 0 HG2 GLU A 44 -20.277 -9.578 3.886 1.00 10.00 H new ATOM 0 HG3 GLU A 44 -21.758 -10.486 4.118 1.00 10.00 H new ATOM 665 N ASN A 45 -23.445 -9.747 1.667 1.00 10.00 N ATOM 666 CA ASN A 45 -24.725 -9.245 2.124 1.00 10.00 C ATOM 667 C ASN A 45 -25.740 -10.383 2.094 1.00 10.00 C ATOM 668 O ASN A 45 -25.683 -11.271 1.241 1.00 10.00 O ATOM 669 CB ASN A 45 -25.167 -8.065 1.233 1.00 10.00 C ATOM 670 CG ASN A 45 -25.947 -7.037 2.026 1.00 10.00 C ATOM 671 OD1 ASN A 45 -25.452 -6.285 2.841 1.00 10.00 O ATOM 672 ND2 ASN A 45 -27.239 -6.972 1.857 1.00 10.00 N ATOM 0 H ASN A 45 -23.496 -10.647 1.190 1.00 10.00 H new ATOM 0 HA ASN A 45 -24.648 -8.877 3.147 1.00 10.00 H new ATOM 0 HB2 ASN A 45 -24.290 -7.595 0.788 1.00 10.00 H new ATOM 0 HB3 ASN A 45 -25.781 -8.436 0.412 1.00 10.00 H new ATOM 0 HD21 ASN A 45 -27.791 -6.308 2.399 1.00 10.00 H new ATOM 0 HD22 ASN A 45 -27.697 -7.585 1.183 1.00 10.00 H new ATOM 679 N TYR A 46 -26.709 -10.331 2.996 1.00 10.00 N ATOM 680 CA TYR A 46 -27.761 -11.336 3.065 1.00 10.00 C ATOM 681 C TYR A 46 -29.123 -10.686 3.253 1.00 10.00 C ATOM 682 O TYR A 46 -29.252 -9.462 3.333 1.00 10.00 O ATOM 683 CB TYR A 46 -27.421 -12.365 4.157 1.00 10.00 C ATOM 684 CG TYR A 46 -27.911 -13.765 3.850 1.00 10.00 C ATOM 685 CD1 TYR A 46 -27.493 -14.406 2.664 1.00 10.00 C ATOM 686 CD2 TYR A 46 -28.723 -14.449 4.773 1.00 10.00 C ATOM 687 CE1 TYR A 46 -27.905 -15.722 2.386 1.00 10.00 C ATOM 688 CE2 TYR A 46 -29.128 -15.769 4.504 1.00 10.00 C ATOM 689 CZ TYR A 46 -28.729 -16.406 3.308 1.00 10.00 C ATOM 690 OH TYR A 46 -29.144 -17.675 3.059 1.00 10.00 O ATOM 0 H TYR A 46 -26.789 -9.595 3.698 1.00 10.00 H new ATOM 0 HA TYR A 46 -27.818 -11.875 2.120 1.00 10.00 H new ATOM 0 HB2 TYR A 46 -26.340 -12.390 4.296 1.00 10.00 H new ATOM 0 HB3 TYR A 46 -27.856 -12.037 5.101 1.00 10.00 H new ATOM 0 HD1 TYR A 46 -26.854 -13.884 1.967 1.00 10.00 H new ATOM 0 HD2 TYR A 46 -29.034 -13.962 5.685 1.00 10.00 H new ATOM 0 HE1 TYR A 46 -27.593 -16.207 1.473 1.00 10.00 H new ATOM 0 HE2 TYR A 46 -29.746 -16.297 5.215 1.00 10.00 H new ATOM 0 HH TYR A 46 -29.702 -17.988 3.801 1.00 10.00 H new ATOM 700 N LYS A 47 -30.163 -11.516 3.297 1.00 10.00 N ATOM 701 CA LYS A 47 -31.517 -11.060 3.604 1.00 10.00 C ATOM 702 C LYS A 47 -32.345 -12.225 4.155 1.00 10.00 C ATOM 703 O LYS A 47 -33.156 -12.792 3.425 1.00 10.00 O ATOM 704 CB LYS A 47 -32.100 -10.335 2.365 1.00 10.00 C ATOM 705 CG LYS A 47 -32.713 -8.978 2.731 1.00 10.00 C ATOM 706 CD LYS A 47 -34.181 -9.124 3.136 1.00 10.00 C ATOM 707 CE LYS A 47 -34.854 -7.752 3.193 1.00 10.00 C ATOM 708 NZ LYS A 47 -35.172 -7.249 1.829 1.00 10.00 N ATOM 0 H LYS A 47 -30.092 -12.518 3.122 1.00 10.00 H new ATOM 0 HA LYS A 47 -31.529 -10.318 4.402 1.00 10.00 H new ATOM 0 HB2 LYS A 47 -31.312 -10.190 1.626 1.00 10.00 H new ATOM 0 HB3 LYS A 47 -32.860 -10.963 1.901 1.00 10.00 H new ATOM 0 HG2 LYS A 47 -32.150 -8.531 3.550 1.00 10.00 H new ATOM 0 HG3 LYS A 47 -32.633 -8.299 1.882 1.00 10.00 H new ATOM 0 HD2 LYS A 47 -34.701 -9.762 2.422 1.00 10.00 H new ATOM 0 HD3 LYS A 47 -34.250 -9.612 4.108 1.00 10.00 H new ATOM 0 HE2 LYS A 47 -35.769 -7.818 3.781 1.00 10.00 H new ATOM 0 HE3 LYS A 47 -34.199 -7.044 3.701 1.00 10.00 H new ATOM 0 HZ1 LYS A 47 -35.760 -6.395 1.902 1.00 10.00 H new ATOM 0 HZ2 LYS A 47 -34.289 -7.020 1.329 1.00 10.00 H new ATOM 0 HZ3 LYS A 47 -35.689 -7.981 1.301 1.00 10.00 H new ATOM 722 N PRO A 48 -32.113 -12.625 5.422 1.00 10.00 N ATOM 723 CA PRO A 48 -32.914 -13.670 6.029 1.00 10.00 C ATOM 724 C PRO A 48 -34.380 -13.201 6.098 1.00 10.00 C ATOM 725 O PRO A 48 -34.673 -12.000 6.091 1.00 10.00 O ATOM 726 CB PRO A 48 -32.264 -13.958 7.390 1.00 10.00 C ATOM 727 CG PRO A 48 -31.407 -12.736 7.725 1.00 10.00 C ATOM 728 CD PRO A 48 -31.313 -11.935 6.427 1.00 10.00 C ATOM 0 HA PRO A 48 -32.941 -14.599 5.460 1.00 10.00 H new ATOM 0 HB2 PRO A 48 -33.022 -14.123 8.156 1.00 10.00 H new ATOM 0 HB3 PRO A 48 -31.654 -14.860 7.346 1.00 10.00 H new ATOM 0 HG2 PRO A 48 -31.861 -12.144 8.519 1.00 10.00 H new ATOM 0 HG3 PRO A 48 -30.419 -13.034 8.075 1.00 10.00 H new ATOM 0 HD2 PRO A 48 -31.680 -10.920 6.577 1.00 10.00 H new ATOM 0 HD3 PRO A 48 -30.276 -11.855 6.101 1.00 10.00 H new ATOM 736 N LYS A 49 -35.301 -14.168 6.124 1.00 10.00 N ATOM 737 CA LYS A 49 -36.740 -13.933 6.322 1.00 10.00 C ATOM 738 C LYS A 49 -37.010 -13.085 7.579 1.00 10.00 C ATOM 739 O LYS A 49 -36.223 -13.121 8.523 1.00 10.00 O ATOM 740 CB LYS A 49 -37.484 -15.284 6.361 1.00 10.00 C ATOM 741 CG LYS A 49 -37.258 -16.105 7.658 1.00 10.00 C ATOM 742 CD LYS A 49 -38.580 -16.547 8.315 1.00 10.00 C ATOM 743 CE LYS A 49 -38.483 -16.496 9.850 1.00 10.00 C ATOM 744 NZ LYS A 49 -39.681 -15.869 10.464 1.00 10.00 N ATOM 0 H LYS A 49 -35.067 -15.154 6.006 1.00 10.00 H new ATOM 0 HA LYS A 49 -37.122 -13.356 5.480 1.00 10.00 H new ATOM 0 HB2 LYS A 49 -38.552 -15.100 6.244 1.00 10.00 H new ATOM 0 HB3 LYS A 49 -37.168 -15.883 5.507 1.00 10.00 H new ATOM 0 HG2 LYS A 49 -36.659 -16.986 7.427 1.00 10.00 H new ATOM 0 HG3 LYS A 49 -36.686 -15.507 8.367 1.00 10.00 H new ATOM 0 HD2 LYS A 49 -39.391 -15.901 7.978 1.00 10.00 H new ATOM 0 HD3 LYS A 49 -38.826 -17.560 7.997 1.00 10.00 H new ATOM 0 HE2 LYS A 49 -38.364 -17.507 10.239 1.00 10.00 H new ATOM 0 HE3 LYS A 49 -37.593 -15.936 10.138 1.00 10.00 H new ATOM 0 HZ1 LYS A 49 -39.432 -15.486 11.398 1.00 10.00 H new ATOM 0 HZ2 LYS A 49 -40.021 -15.099 9.854 1.00 10.00 H new ATOM 0 HZ3 LYS A 49 -40.430 -16.583 10.571 1.00 10.00 H new ATOM 758 N ASN A 50 -38.129 -12.365 7.593 1.00 10.00 N ATOM 759 CA ASN A 50 -38.609 -11.655 8.780 1.00 10.00 C ATOM 760 C ASN A 50 -39.249 -12.664 9.750 1.00 10.00 C ATOM 761 O ASN A 50 -39.954 -13.567 9.248 1.00 10.00 O ATOM 762 CB ASN A 50 -39.426 -10.433 8.289 1.00 10.00 C ATOM 763 CG ASN A 50 -39.896 -9.533 9.411 1.00 10.00 C ATOM 764 OD1 ASN A 50 -41.045 -9.535 9.802 1.00 10.00 O ATOM 765 ND2 ASN A 50 -39.035 -8.705 9.951 1.00 10.00 N ATOM 766 OXT ASN A 50 -38.858 -12.693 10.933 1.00 10.00 O ATOM 0 H ASN A 50 -38.733 -12.256 6.778 1.00 10.00 H new ATOM 0 HA ASN A 50 -37.835 -11.212 9.406 1.00 10.00 H new ATOM 0 HB2 ASN A 50 -38.816 -9.851 7.598 1.00 10.00 H new ATOM 0 HB3 ASN A 50 -40.292 -10.786 7.729 1.00 10.00 H new ATOM 0 HD21 ASN A 50 -39.333 -8.071 10.692 1.00 10.00 H new ATOM 0 HD22 ASN A 50 -38.067 -8.695 9.630 1.00 10.00 H new TER 773 ASN A 50