USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 494 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 37 HIS : no HE2:sc= -6.2! C(o=-5.8!,f=-6.8!) USER MOD Set 1.2: A 44 TYR OH : rot 15:sc= 0.374 USER MOD Set 2.1: A 26 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 30 TYR OH : rot 180:sc= -0.0965 USER MOD Single : A 1 GLY N :NH3+ -132:sc= 0.0913 (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 84:sc= 0.111 USER MOD Single : A 6 SER OG : rot 180:sc= -0.207 USER MOD Single : A 8 MET CE :methyl 166:sc= 0 (180deg=-0.123) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 30:sc= -0.0549 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc=0.000425 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 160:sc= -0.543 USER MOD Single : A 42 GLN : amide:sc= 0.271 X(o=0.27,f=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= -0.0252 USER MOD Single : A 49 LYS NZ :NH3+ -143:sc=-0.00903 (180deg=-1.08) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=-0.096) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot -179:sc= -1.11 USER MOD Single : A 66 SER OG : rot 31:sc= 0.665 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -27.962 4.255 24.789 1.00 0.00 N ATOM 2 CA GLY A 1 -26.993 4.519 25.836 1.00 0.00 C ATOM 3 C GLY A 1 -26.689 5.996 25.986 1.00 0.00 C ATOM 4 O GLY A 1 -27.226 6.825 25.252 1.00 0.00 O ATOM 0 H1 GLY A 1 -28.695 3.611 25.149 1.00 0.00 H new ATOM 0 H2 GLY A 1 -28.402 5.149 24.490 1.00 0.00 H new ATOM 0 H3 GLY A 1 -27.484 3.816 23.977 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -27.370 4.131 26.782 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -26.070 3.982 25.617 1.00 0.00 H new ATOM 8 N SER A 2 -25.826 6.327 26.942 1.00 0.00 N ATOM 9 CA SER A 2 -25.455 7.715 27.190 1.00 0.00 C ATOM 10 C SER A 2 -23.970 7.937 26.921 1.00 0.00 C ATOM 11 O SER A 2 -23.113 7.369 27.599 1.00 0.00 O ATOM 12 CB SER A 2 -25.788 8.104 28.631 1.00 0.00 C ATOM 13 OG SER A 2 -27.175 7.971 28.889 1.00 0.00 O ATOM 0 H SER A 2 -25.371 5.653 27.557 1.00 0.00 H new ATOM 0 HA SER A 2 -26.027 8.345 26.510 1.00 0.00 H new ATOM 0 HB2 SER A 2 -25.225 7.474 29.320 1.00 0.00 H new ATOM 0 HB3 SER A 2 -25.478 9.133 28.814 1.00 0.00 H new ATOM 0 HG SER A 2 -27.361 8.224 29.817 1.00 0.00 H new ATOM 19 N SER A 3 -23.672 8.767 25.926 1.00 0.00 N ATOM 20 CA SER A 3 -22.291 9.062 25.564 1.00 0.00 C ATOM 21 C SER A 3 -22.113 10.548 25.267 1.00 0.00 C ATOM 22 O SER A 3 -22.807 11.111 24.421 1.00 0.00 O ATOM 23 CB SER A 3 -21.872 8.234 24.348 1.00 0.00 C ATOM 24 OG SER A 3 -20.504 8.436 24.039 1.00 0.00 O ATOM 0 H SER A 3 -24.369 9.247 25.356 1.00 0.00 H new ATOM 0 HA SER A 3 -21.656 8.799 26.410 1.00 0.00 H new ATOM 0 HB2 SER A 3 -22.051 7.177 24.545 1.00 0.00 H new ATOM 0 HB3 SER A 3 -22.486 8.507 23.490 1.00 0.00 H new ATOM 0 HG SER A 3 -20.261 7.894 23.259 1.00 0.00 H new ATOM 30 N GLY A 4 -21.177 11.178 25.970 1.00 0.00 N ATOM 31 CA GLY A 4 -20.924 12.593 25.768 1.00 0.00 C ATOM 32 C GLY A 4 -19.451 12.896 25.572 1.00 0.00 C ATOM 33 O GLY A 4 -18.688 12.948 26.536 1.00 0.00 O ATOM 0 H GLY A 4 -20.589 10.734 26.676 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -21.482 12.938 24.897 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -21.296 13.152 26.627 1.00 0.00 H new ATOM 37 N SER A 5 -19.051 13.095 24.320 1.00 0.00 N ATOM 38 CA SER A 5 -17.659 13.388 24.000 1.00 0.00 C ATOM 39 C SER A 5 -17.540 14.719 23.264 1.00 0.00 C ATOM 40 O SER A 5 -18.527 15.247 22.750 1.00 0.00 O ATOM 41 CB SER A 5 -17.061 12.266 23.149 1.00 0.00 C ATOM 42 OG SER A 5 -17.623 12.259 21.848 1.00 0.00 O ATOM 0 H SER A 5 -19.671 13.059 23.511 1.00 0.00 H new ATOM 0 HA SER A 5 -17.104 13.459 24.936 1.00 0.00 H new ATOM 0 HB2 SER A 5 -15.981 12.393 23.081 1.00 0.00 H new ATOM 0 HB3 SER A 5 -17.240 11.305 23.631 1.00 0.00 H new ATOM 0 HG SER A 5 -17.154 12.910 21.285 1.00 0.00 H new ATOM 48 N SER A 6 -16.325 15.256 23.217 1.00 0.00 N ATOM 49 CA SER A 6 -16.077 16.527 22.546 1.00 0.00 C ATOM 50 C SER A 6 -16.278 16.395 21.040 1.00 0.00 C ATOM 51 O SER A 6 -17.027 17.159 20.433 1.00 0.00 O ATOM 52 CB SER A 6 -14.657 17.014 22.842 1.00 0.00 C ATOM 53 OG SER A 6 -13.692 16.093 22.364 1.00 0.00 O ATOM 0 H SER A 6 -15.497 14.831 23.635 1.00 0.00 H new ATOM 0 HA SER A 6 -16.791 17.257 22.927 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.498 17.987 22.376 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.533 17.151 23.916 1.00 0.00 H new ATOM 0 HG SER A 6 -12.793 16.428 22.564 1.00 0.00 H new ATOM 59 N GLY A 7 -15.602 15.419 20.442 1.00 0.00 N ATOM 60 CA GLY A 7 -15.719 15.204 19.011 1.00 0.00 C ATOM 61 C GLY A 7 -16.280 13.836 18.675 1.00 0.00 C ATOM 62 O GLY A 7 -17.357 13.467 19.144 1.00 0.00 O ATOM 0 H GLY A 7 -14.975 14.773 20.923 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -16.362 15.973 18.582 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -14.738 15.315 18.548 1.00 0.00 H new ATOM 66 N MET A 8 -15.550 13.083 17.859 1.00 0.00 N ATOM 67 CA MET A 8 -15.982 11.749 17.459 1.00 0.00 C ATOM 68 C MET A 8 -14.840 10.982 16.800 1.00 0.00 C ATOM 69 O MET A 8 -14.017 11.546 16.078 1.00 0.00 O ATOM 70 CB MET A 8 -17.171 11.840 16.501 1.00 0.00 C ATOM 71 CG MET A 8 -16.819 12.445 15.152 1.00 0.00 C ATOM 72 SD MET A 8 -18.268 13.029 14.253 1.00 0.00 S ATOM 73 CE MET A 8 -18.623 14.549 15.132 1.00 0.00 C ATOM 0 H MET A 8 -14.657 13.374 17.462 1.00 0.00 H new ATOM 0 HA MET A 8 -16.288 11.210 18.356 1.00 0.00 H new ATOM 0 HB2 MET A 8 -17.580 10.842 16.347 1.00 0.00 H new ATOM 0 HB3 MET A 8 -17.956 12.438 16.965 1.00 0.00 H new ATOM 0 HG2 MET A 8 -16.129 13.276 15.300 1.00 0.00 H new ATOM 0 HG3 MET A 8 -16.298 11.701 14.549 1.00 0.00 H new ATOM 0 HE1 MET A 8 -19.326 15.148 14.553 1.00 0.00 H new ATOM 0 HE2 MET A 8 -19.060 14.314 16.103 1.00 0.00 H new ATOM 0 HE3 MET A 8 -17.700 15.110 15.276 1.00 0.00 H new ATOM 83 N PRO A 9 -14.786 9.666 17.053 1.00 0.00 N ATOM 84 CA PRO A 9 -13.749 8.794 16.493 1.00 0.00 C ATOM 85 C PRO A 9 -13.906 8.599 14.989 1.00 0.00 C ATOM 86 O PRO A 9 -14.963 8.184 14.514 1.00 0.00 O ATOM 87 CB PRO A 9 -13.963 7.470 17.229 1.00 0.00 C ATOM 88 CG PRO A 9 -15.398 7.487 17.631 1.00 0.00 C ATOM 89 CD PRO A 9 -15.734 8.927 17.904 1.00 0.00 C ATOM 0 HA PRO A 9 -12.751 9.213 16.623 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -13.743 6.619 16.585 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -13.310 7.390 18.098 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -16.030 7.082 16.840 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -15.563 6.873 18.517 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -16.768 9.154 17.645 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -15.607 9.176 18.957 1.00 0.00 H new ATOM 97 N SER A 10 -12.847 8.900 14.244 1.00 0.00 N ATOM 98 CA SER A 10 -12.869 8.760 12.792 1.00 0.00 C ATOM 99 C SER A 10 -11.660 7.968 12.305 1.00 0.00 C ATOM 100 O SER A 10 -10.614 7.948 12.953 1.00 0.00 O ATOM 101 CB SER A 10 -12.892 10.138 12.127 1.00 0.00 C ATOM 102 OG SER A 10 -14.203 10.677 12.115 1.00 0.00 O ATOM 0 H SER A 10 -11.963 9.242 14.621 1.00 0.00 H new ATOM 0 HA SER A 10 -13.773 8.216 12.517 1.00 0.00 H new ATOM 0 HB2 SER A 10 -12.223 10.813 12.660 1.00 0.00 H new ATOM 0 HB3 SER A 10 -12.519 10.059 11.106 1.00 0.00 H new ATOM 0 HG SER A 10 -14.190 11.558 11.686 1.00 0.00 H new ATOM 108 N ARG A 11 -11.813 7.314 11.157 1.00 0.00 N ATOM 109 CA ARG A 11 -10.735 6.518 10.582 1.00 0.00 C ATOM 110 C ARG A 11 -9.469 7.354 10.420 1.00 0.00 C ATOM 111 O ARG A 11 -9.528 8.582 10.341 1.00 0.00 O ATOM 112 CB ARG A 11 -11.160 5.949 9.227 1.00 0.00 C ATOM 113 CG ARG A 11 -11.831 4.588 9.322 1.00 0.00 C ATOM 114 CD ARG A 11 -12.673 4.295 8.091 1.00 0.00 C ATOM 115 NE ARG A 11 -13.455 5.456 7.674 1.00 0.00 N ATOM 116 CZ ARG A 11 -14.507 5.913 8.344 1.00 0.00 C ATOM 117 NH1 ARG A 11 -14.900 5.310 9.458 1.00 0.00 N ATOM 118 NH2 ARG A 11 -15.168 6.975 7.901 1.00 0.00 N ATOM 0 H ARG A 11 -12.672 7.320 10.608 1.00 0.00 H new ATOM 0 HA ARG A 11 -10.521 5.695 11.264 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -11.844 6.649 8.747 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -10.283 5.868 8.585 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -11.072 3.814 9.438 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -12.460 4.553 10.211 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -12.023 3.983 7.273 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -13.344 3.462 8.301 1.00 0.00 H new ATOM 0 HE ARG A 11 -13.178 5.943 6.821 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -14.394 4.494 9.802 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -15.708 5.663 9.971 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -14.868 7.442 7.045 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -15.976 7.325 8.417 1.00 0.00 H new ATOM 132 N LYS A 12 -8.324 6.682 10.371 1.00 0.00 N ATOM 133 CA LYS A 12 -7.043 7.360 10.217 1.00 0.00 C ATOM 134 C LYS A 12 -6.729 7.603 8.744 1.00 0.00 C ATOM 135 O LYS A 12 -5.955 8.498 8.403 1.00 0.00 O ATOM 136 CB LYS A 12 -5.925 6.535 10.859 1.00 0.00 C ATOM 137 CG LYS A 12 -4.764 7.374 11.365 1.00 0.00 C ATOM 138 CD LYS A 12 -3.707 7.568 10.291 1.00 0.00 C ATOM 139 CE LYS A 12 -2.348 7.882 10.898 1.00 0.00 C ATOM 140 NZ LYS A 12 -2.337 9.207 11.578 1.00 0.00 N ATOM 0 H LYS A 12 -8.257 5.666 10.436 1.00 0.00 H new ATOM 0 HA LYS A 12 -7.109 8.325 10.720 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.338 5.963 11.690 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.552 5.815 10.131 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.132 8.346 11.694 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -4.317 6.892 12.234 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -3.635 6.667 9.682 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -4.006 8.379 9.627 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -2.081 7.104 11.614 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -1.589 7.869 10.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -1.394 9.384 11.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -2.566 9.952 10.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -3.043 9.211 12.341 1.00 0.00 H new ATOM 154 N PHE A 13 -7.335 6.801 7.875 1.00 0.00 N ATOM 155 CA PHE A 13 -7.120 6.929 6.438 1.00 0.00 C ATOM 156 C PHE A 13 -8.447 7.089 5.702 1.00 0.00 C ATOM 157 O PHE A 13 -9.233 6.147 5.605 1.00 0.00 O ATOM 158 CB PHE A 13 -6.371 5.708 5.902 1.00 0.00 C ATOM 159 CG PHE A 13 -5.038 5.486 6.559 1.00 0.00 C ATOM 160 CD1 PHE A 13 -3.939 6.249 6.200 1.00 0.00 C ATOM 161 CD2 PHE A 13 -4.885 4.515 7.535 1.00 0.00 C ATOM 162 CE1 PHE A 13 -2.711 6.047 6.801 1.00 0.00 C ATOM 163 CE2 PHE A 13 -3.660 4.309 8.141 1.00 0.00 C ATOM 164 CZ PHE A 13 -2.572 5.077 7.774 1.00 0.00 C ATOM 0 H PHE A 13 -7.979 6.056 8.140 1.00 0.00 H new ATOM 0 HA PHE A 13 -6.518 7.821 6.264 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -6.989 4.821 6.044 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -6.223 5.825 4.828 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -4.043 7.011 5.441 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -5.733 3.912 7.826 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.861 6.647 6.510 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -3.554 3.549 8.900 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.614 4.919 8.247 1.00 0.00 H new ATOM 174 N ALA A 14 -8.689 8.290 5.186 1.00 0.00 N ATOM 175 CA ALA A 14 -9.920 8.574 4.457 1.00 0.00 C ATOM 176 C ALA A 14 -10.234 7.466 3.457 1.00 0.00 C ATOM 177 O ALA A 14 -9.344 6.972 2.764 1.00 0.00 O ATOM 178 CB ALA A 14 -9.814 9.915 3.746 1.00 0.00 C ATOM 0 H ALA A 14 -8.050 9.081 5.259 1.00 0.00 H new ATOM 0 HA ALA A 14 -10.737 8.620 5.177 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -10.739 10.115 3.206 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -9.645 10.703 4.479 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -8.982 9.889 3.043 1.00 0.00 H new ATOM 184 N ASP A 15 -11.503 7.081 3.389 1.00 0.00 N ATOM 185 CA ASP A 15 -11.935 6.031 2.473 1.00 0.00 C ATOM 186 C ASP A 15 -11.586 6.390 1.032 1.00 0.00 C ATOM 187 O ASP A 15 -11.839 7.506 0.581 1.00 0.00 O ATOM 188 CB ASP A 15 -13.441 5.798 2.604 1.00 0.00 C ATOM 189 CG ASP A 15 -14.068 5.327 1.306 1.00 0.00 C ATOM 190 OD1 ASP A 15 -13.607 4.302 0.762 1.00 0.00 O ATOM 191 OD2 ASP A 15 -15.021 5.983 0.837 1.00 0.00 O ATOM 0 H ASP A 15 -12.251 7.480 3.957 1.00 0.00 H new ATOM 0 HA ASP A 15 -11.409 5.113 2.737 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -13.625 5.058 3.383 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -13.923 6.722 2.923 1.00 0.00 H new ATOM 196 N GLY A 16 -11.002 5.435 0.314 1.00 0.00 N ATOM 197 CA GLY A 16 -10.627 5.670 -1.068 1.00 0.00 C ATOM 198 C GLY A 16 -9.261 6.315 -1.196 1.00 0.00 C ATOM 199 O GLY A 16 -8.684 6.350 -2.282 1.00 0.00 O ATOM 0 H GLY A 16 -10.782 4.503 0.665 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -10.631 4.723 -1.608 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -11.373 6.309 -1.540 1.00 0.00 H new ATOM 203 N GLU A 17 -8.744 6.829 -0.084 1.00 0.00 N ATOM 204 CA GLU A 17 -7.439 7.478 -0.079 1.00 0.00 C ATOM 205 C GLU A 17 -6.341 6.496 -0.477 1.00 0.00 C ATOM 206 O GLU A 17 -6.373 5.324 -0.098 1.00 0.00 O ATOM 207 CB GLU A 17 -7.140 8.061 1.304 1.00 0.00 C ATOM 208 CG GLU A 17 -6.062 9.132 1.293 1.00 0.00 C ATOM 209 CD GLU A 17 -6.404 10.295 0.382 1.00 0.00 C ATOM 210 OE1 GLU A 17 -7.604 10.498 0.104 1.00 0.00 O ATOM 211 OE2 GLU A 17 -5.471 11.002 -0.052 1.00 0.00 O ATOM 0 H GLU A 17 -9.209 6.808 0.824 1.00 0.00 H new ATOM 0 HA GLU A 17 -7.461 8.287 -0.809 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.056 8.484 1.717 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -6.833 7.255 1.970 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -5.912 9.502 2.307 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -5.119 8.690 0.973 1.00 0.00 H new ATOM 218 N VAL A 18 -5.369 6.981 -1.243 1.00 0.00 N ATOM 219 CA VAL A 18 -4.261 6.148 -1.692 1.00 0.00 C ATOM 220 C VAL A 18 -3.085 6.228 -0.724 1.00 0.00 C ATOM 221 O VAL A 18 -2.327 7.198 -0.731 1.00 0.00 O ATOM 222 CB VAL A 18 -3.783 6.558 -3.098 1.00 0.00 C ATOM 223 CG1 VAL A 18 -2.671 5.636 -3.575 1.00 0.00 C ATOM 224 CG2 VAL A 18 -4.947 6.554 -4.077 1.00 0.00 C ATOM 0 H VAL A 18 -5.327 7.948 -1.566 1.00 0.00 H new ATOM 0 HA VAL A 18 -4.630 5.123 -1.727 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.384 7.571 -3.046 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.347 5.942 -4.570 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.829 5.694 -2.885 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.039 4.611 -3.612 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.592 6.846 -5.065 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -5.377 5.554 -4.127 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -5.707 7.260 -3.741 1.00 0.00 H new ATOM 234 N VAL A 19 -2.939 5.202 0.108 1.00 0.00 N ATOM 235 CA VAL A 19 -1.855 5.155 1.081 1.00 0.00 C ATOM 236 C VAL A 19 -0.934 3.968 0.821 1.00 0.00 C ATOM 237 O VAL A 19 -1.109 3.236 -0.153 1.00 0.00 O ATOM 238 CB VAL A 19 -2.396 5.066 2.520 1.00 0.00 C ATOM 239 CG1 VAL A 19 -3.166 6.327 2.881 1.00 0.00 C ATOM 240 CG2 VAL A 19 -3.271 3.832 2.685 1.00 0.00 C ATOM 0 H VAL A 19 -3.558 4.392 0.127 1.00 0.00 H new ATOM 0 HA VAL A 19 -1.290 6.080 0.970 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.550 4.978 3.202 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.540 6.245 3.901 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.506 7.191 2.805 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -4.005 6.450 2.196 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.645 3.785 3.708 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -4.112 3.887 1.994 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.684 2.939 2.472 1.00 0.00 H new ATOM 250 N ARG A 20 0.046 3.783 1.700 1.00 0.00 N ATOM 251 CA ARG A 20 0.995 2.684 1.565 1.00 0.00 C ATOM 252 C ARG A 20 0.799 1.657 2.676 1.00 0.00 C ATOM 253 O ARG A 20 0.916 1.976 3.859 1.00 0.00 O ATOM 254 CB ARG A 20 2.429 3.215 1.595 1.00 0.00 C ATOM 255 CG ARG A 20 2.675 4.359 0.625 1.00 0.00 C ATOM 256 CD ARG A 20 4.127 4.406 0.175 1.00 0.00 C ATOM 257 NE ARG A 20 5.035 4.681 1.285 1.00 0.00 N ATOM 258 CZ ARG A 20 6.345 4.847 1.139 1.00 0.00 C ATOM 259 NH1 ARG A 20 6.897 4.766 -0.064 1.00 0.00 N ATOM 260 NH2 ARG A 20 7.106 5.094 2.198 1.00 0.00 N ATOM 0 H ARG A 20 0.203 4.379 2.512 1.00 0.00 H new ATOM 0 HA ARG A 20 0.814 2.197 0.607 1.00 0.00 H new ATOM 0 HB2 ARG A 20 2.662 3.550 2.606 1.00 0.00 H new ATOM 0 HB3 ARG A 20 3.114 2.400 1.363 1.00 0.00 H new ATOM 0 HG2 ARG A 20 2.027 4.246 -0.244 1.00 0.00 H new ATOM 0 HG3 ARG A 20 2.409 5.303 1.100 1.00 0.00 H new ATOM 0 HD2 ARG A 20 4.395 3.455 -0.285 1.00 0.00 H new ATOM 0 HD3 ARG A 20 4.245 5.174 -0.589 1.00 0.00 H new ATOM 0 HE ARG A 20 4.642 4.749 2.224 1.00 0.00 H new ATOM 0 HH11 ARG A 20 6.316 4.576 -0.880 1.00 0.00 H new ATOM 0 HH12 ARG A 20 7.903 4.894 -0.173 1.00 0.00 H new ATOM 0 HH21 ARG A 20 6.685 5.157 3.125 1.00 0.00 H new ATOM 0 HH22 ARG A 20 8.112 5.221 2.085 1.00 0.00 H new ATOM 274 N GLY A 21 0.498 0.422 2.287 1.00 0.00 N ATOM 275 CA GLY A 21 0.289 -0.633 3.262 1.00 0.00 C ATOM 276 C GLY A 21 1.373 -1.691 3.212 1.00 0.00 C ATOM 277 O GLY A 21 1.784 -2.118 2.133 1.00 0.00 O ATOM 0 H GLY A 21 0.395 0.133 1.314 1.00 0.00 H new ATOM 0 HA2 GLY A 21 0.255 -0.199 4.261 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.679 -1.101 3.085 1.00 0.00 H new ATOM 281 N ARG A 22 1.839 -2.115 4.382 1.00 0.00 N ATOM 282 CA ARG A 22 2.884 -3.127 4.468 1.00 0.00 C ATOM 283 C ARG A 22 2.304 -4.525 4.273 1.00 0.00 C ATOM 284 O ARG A 22 1.688 -5.084 5.180 1.00 0.00 O ATOM 285 CB ARG A 22 3.597 -3.043 5.819 1.00 0.00 C ATOM 286 CG ARG A 22 4.928 -3.776 5.852 1.00 0.00 C ATOM 287 CD ARG A 22 5.644 -3.571 7.178 1.00 0.00 C ATOM 288 NE ARG A 22 7.088 -3.752 7.054 1.00 0.00 N ATOM 289 CZ ARG A 22 7.936 -3.602 8.065 1.00 0.00 C ATOM 290 NH1 ARG A 22 7.488 -3.271 9.268 1.00 0.00 N ATOM 291 NH2 ARG A 22 9.237 -3.784 7.873 1.00 0.00 N ATOM 0 H ARG A 22 1.509 -1.773 5.284 1.00 0.00 H new ATOM 0 HA ARG A 22 3.605 -2.937 3.673 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.763 -1.995 6.068 1.00 0.00 H new ATOM 0 HB3 ARG A 22 2.946 -3.455 6.590 1.00 0.00 H new ATOM 0 HG2 ARG A 22 4.762 -4.841 5.687 1.00 0.00 H new ATOM 0 HG3 ARG A 22 5.560 -3.422 5.037 1.00 0.00 H new ATOM 0 HD2 ARG A 22 5.435 -2.569 7.552 1.00 0.00 H new ATOM 0 HD3 ARG A 22 5.252 -4.273 7.914 1.00 0.00 H new ATOM 0 HE ARG A 22 7.466 -4.007 6.142 1.00 0.00 H new ATOM 0 HH11 ARG A 22 6.489 -3.131 9.419 1.00 0.00 H new ATOM 0 HH12 ARG A 22 8.142 -3.157 10.042 1.00 0.00 H new ATOM 0 HH21 ARG A 22 9.585 -4.039 6.949 1.00 0.00 H new ATOM 0 HH22 ARG A 22 9.888 -3.669 8.650 1.00 0.00 H new ATOM 305 N TRP A 23 2.505 -5.083 3.085 1.00 0.00 N ATOM 306 CA TRP A 23 2.002 -6.415 2.771 1.00 0.00 C ATOM 307 C TRP A 23 2.415 -7.419 3.841 1.00 0.00 C ATOM 308 O TRP A 23 3.532 -7.388 4.358 1.00 0.00 O ATOM 309 CB TRP A 23 2.516 -6.868 1.403 1.00 0.00 C ATOM 310 CG TRP A 23 2.006 -8.217 0.994 1.00 0.00 C ATOM 311 CD1 TRP A 23 2.379 -9.425 1.510 1.00 0.00 C ATOM 312 CD2 TRP A 23 1.032 -8.494 -0.018 1.00 0.00 C ATOM 313 NE1 TRP A 23 1.696 -10.437 0.879 1.00 0.00 N ATOM 314 CE2 TRP A 23 0.862 -9.892 -0.061 1.00 0.00 C ATOM 315 CE3 TRP A 23 0.285 -7.698 -0.890 1.00 0.00 C ATOM 316 CZ2 TRP A 23 -0.022 -10.507 -0.943 1.00 0.00 C ATOM 317 CZ3 TRP A 23 -0.592 -8.310 -1.765 1.00 0.00 C ATOM 318 CH2 TRP A 23 -0.741 -9.703 -1.786 1.00 0.00 C ATOM 0 H TRP A 23 3.013 -4.634 2.323 1.00 0.00 H new ATOM 0 HA TRP A 23 0.913 -6.368 2.744 1.00 0.00 H new ATOM 0 HB2 TRP A 23 2.224 -6.134 0.652 1.00 0.00 H new ATOM 0 HB3 TRP A 23 3.606 -6.890 1.421 1.00 0.00 H new ATOM 0 HD1 TRP A 23 3.104 -9.565 2.298 1.00 0.00 H new ATOM 0 HE1 TRP A 23 1.794 -11.432 1.078 1.00 0.00 H new ATOM 0 HE3 TRP A 23 0.391 -6.623 -0.880 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -0.137 -11.581 -0.962 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -1.173 -7.704 -2.445 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -1.436 -10.151 -2.480 1.00 0.00 H new ATOM 329 N PRO A 24 1.495 -8.333 4.184 1.00 0.00 N ATOM 330 CA PRO A 24 1.742 -9.365 5.196 1.00 0.00 C ATOM 331 C PRO A 24 2.747 -10.410 4.724 1.00 0.00 C ATOM 332 O PRO A 24 2.442 -11.236 3.865 1.00 0.00 O ATOM 333 CB PRO A 24 0.364 -10.001 5.398 1.00 0.00 C ATOM 334 CG PRO A 24 -0.358 -9.753 4.119 1.00 0.00 C ATOM 335 CD PRO A 24 0.142 -8.430 3.609 1.00 0.00 C ATOM 0 HA PRO A 24 2.172 -8.948 6.107 1.00 0.00 H new ATOM 0 HB2 PRO A 24 0.447 -11.068 5.606 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -0.160 -9.552 6.242 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -0.161 -10.548 3.400 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -1.436 -9.727 4.278 1.00 0.00 H new ATOM 0 HD2 PRO A 24 0.165 -8.402 2.520 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -0.494 -7.607 3.936 1.00 0.00 H new ATOM 343 N GLY A 25 3.948 -10.369 5.294 1.00 0.00 N ATOM 344 CA GLY A 25 4.980 -11.318 4.919 1.00 0.00 C ATOM 345 C GLY A 25 6.121 -10.666 4.164 1.00 0.00 C ATOM 346 O GLY A 25 7.289 -10.963 4.414 1.00 0.00 O ATOM 0 H GLY A 25 4.224 -9.696 6.009 1.00 0.00 H new ATOM 0 HA2 GLY A 25 5.370 -11.799 5.816 1.00 0.00 H new ATOM 0 HA3 GLY A 25 4.541 -12.102 4.302 1.00 0.00 H new ATOM 350 N SER A 26 5.783 -9.776 3.236 1.00 0.00 N ATOM 351 CA SER A 26 6.789 -9.085 2.438 1.00 0.00 C ATOM 352 C SER A 26 7.461 -7.982 3.250 1.00 0.00 C ATOM 353 O SER A 26 8.597 -7.596 2.972 1.00 0.00 O ATOM 354 CB SER A 26 6.152 -8.492 1.180 1.00 0.00 C ATOM 355 OG SER A 26 7.093 -8.409 0.123 1.00 0.00 O ATOM 0 H SER A 26 4.821 -9.517 3.018 1.00 0.00 H new ATOM 0 HA SER A 26 7.548 -9.811 2.145 1.00 0.00 H new ATOM 0 HB2 SER A 26 5.307 -9.108 0.872 1.00 0.00 H new ATOM 0 HB3 SER A 26 5.759 -7.499 1.401 1.00 0.00 H new ATOM 0 HG SER A 26 6.661 -8.028 -0.670 1.00 0.00 H new ATOM 361 N SER A 27 6.752 -7.478 4.255 1.00 0.00 N ATOM 362 CA SER A 27 7.277 -6.417 5.105 1.00 0.00 C ATOM 363 C SER A 27 7.643 -5.188 4.277 1.00 0.00 C ATOM 364 O SER A 27 8.533 -4.420 4.644 1.00 0.00 O ATOM 365 CB SER A 27 8.504 -6.911 5.874 1.00 0.00 C ATOM 366 OG SER A 27 8.123 -7.643 7.026 1.00 0.00 O ATOM 0 H SER A 27 5.812 -7.788 4.500 1.00 0.00 H new ATOM 0 HA SER A 27 6.500 -6.137 5.816 1.00 0.00 H new ATOM 0 HB2 SER A 27 9.115 -7.539 5.226 1.00 0.00 H new ATOM 0 HB3 SER A 27 9.120 -6.061 6.167 1.00 0.00 H new ATOM 0 HG SER A 27 8.925 -7.949 7.499 1.00 0.00 H new ATOM 372 N LEU A 28 6.950 -5.009 3.159 1.00 0.00 N ATOM 373 CA LEU A 28 7.200 -3.874 2.277 1.00 0.00 C ATOM 374 C LEU A 28 5.919 -3.084 2.030 1.00 0.00 C ATOM 375 O LEU A 28 4.856 -3.661 1.796 1.00 0.00 O ATOM 376 CB LEU A 28 7.780 -4.355 0.946 1.00 0.00 C ATOM 377 CG LEU A 28 9.230 -4.840 0.982 1.00 0.00 C ATOM 378 CD1 LEU A 28 9.602 -5.508 -0.333 1.00 0.00 C ATOM 379 CD2 LEU A 28 10.172 -3.683 1.280 1.00 0.00 C ATOM 0 H LEU A 28 6.210 -5.635 2.841 1.00 0.00 H new ATOM 0 HA LEU A 28 7.921 -3.218 2.765 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.156 -5.167 0.573 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.708 -3.540 0.226 1.00 0.00 H new ATOM 0 HG LEU A 28 9.327 -5.576 1.780 1.00 0.00 H new ATOM 0 HD11 LEU A 28 10.637 -5.847 -0.289 1.00 0.00 H new ATOM 0 HD12 LEU A 28 8.948 -6.363 -0.505 1.00 0.00 H new ATOM 0 HD13 LEU A 28 9.488 -4.794 -1.149 1.00 0.00 H new ATOM 0 HD21 LEU A 28 11.199 -4.047 1.302 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.072 -2.924 0.504 1.00 0.00 H new ATOM 0 HD23 LEU A 28 9.920 -3.249 2.248 1.00 0.00 H new ATOM 391 N TYR A 29 6.027 -1.761 2.082 1.00 0.00 N ATOM 392 CA TYR A 29 4.877 -0.891 1.864 1.00 0.00 C ATOM 393 C TYR A 29 4.673 -0.620 0.377 1.00 0.00 C ATOM 394 O TYR A 29 5.592 -0.189 -0.319 1.00 0.00 O ATOM 395 CB TYR A 29 5.062 0.430 2.614 1.00 0.00 C ATOM 396 CG TYR A 29 5.201 0.263 4.110 1.00 0.00 C ATOM 397 CD1 TYR A 29 6.396 -0.166 4.673 1.00 0.00 C ATOM 398 CD2 TYR A 29 4.136 0.534 4.961 1.00 0.00 C ATOM 399 CE1 TYR A 29 6.528 -0.320 6.039 1.00 0.00 C ATOM 400 CE2 TYR A 29 4.259 0.384 6.329 1.00 0.00 C ATOM 401 CZ TYR A 29 5.456 -0.044 6.863 1.00 0.00 C ATOM 402 OH TYR A 29 5.583 -0.196 8.225 1.00 0.00 O ATOM 0 H TYR A 29 6.899 -1.268 2.273 1.00 0.00 H new ATOM 0 HA TYR A 29 3.991 -1.398 2.247 1.00 0.00 H new ATOM 0 HB2 TYR A 29 5.948 0.935 2.230 1.00 0.00 H new ATOM 0 HB3 TYR A 29 4.210 1.078 2.407 1.00 0.00 H new ATOM 0 HD1 TYR A 29 7.237 -0.383 4.031 1.00 0.00 H new ATOM 0 HD2 TYR A 29 3.196 0.867 4.546 1.00 0.00 H new ATOM 0 HE1 TYR A 29 7.465 -0.654 6.460 1.00 0.00 H new ATOM 0 HE2 TYR A 29 3.422 0.601 6.976 1.00 0.00 H new ATOM 0 HH TYR A 29 6.512 -0.030 8.487 1.00 0.00 H new ATOM 412 N TYR A 30 3.461 -0.876 -0.103 1.00 0.00 N ATOM 413 CA TYR A 30 3.134 -0.663 -1.508 1.00 0.00 C ATOM 414 C TYR A 30 1.932 0.265 -1.653 1.00 0.00 C ATOM 415 O TYR A 30 1.178 0.474 -0.702 1.00 0.00 O ATOM 416 CB TYR A 30 2.848 -1.999 -2.195 1.00 0.00 C ATOM 417 CG TYR A 30 4.033 -2.937 -2.212 1.00 0.00 C ATOM 418 CD1 TYR A 30 5.257 -2.533 -2.733 1.00 0.00 C ATOM 419 CD2 TYR A 30 3.930 -4.228 -1.709 1.00 0.00 C ATOM 420 CE1 TYR A 30 6.342 -3.387 -2.751 1.00 0.00 C ATOM 421 CE2 TYR A 30 5.010 -5.088 -1.722 1.00 0.00 C ATOM 422 CZ TYR A 30 6.214 -4.664 -2.244 1.00 0.00 C ATOM 423 OH TYR A 30 7.293 -5.518 -2.260 1.00 0.00 O ATOM 0 H TYR A 30 2.689 -1.231 0.460 1.00 0.00 H new ATOM 0 HA TYR A 30 3.992 -0.193 -1.987 1.00 0.00 H new ATOM 0 HB2 TYR A 30 2.016 -2.488 -1.688 1.00 0.00 H new ATOM 0 HB3 TYR A 30 2.530 -1.810 -3.220 1.00 0.00 H new ATOM 0 HD1 TYR A 30 5.361 -1.534 -3.130 1.00 0.00 H new ATOM 0 HD2 TYR A 30 2.989 -4.565 -1.301 1.00 0.00 H new ATOM 0 HE1 TYR A 30 7.286 -3.057 -3.160 1.00 0.00 H new ATOM 0 HE2 TYR A 30 4.912 -6.088 -1.325 1.00 0.00 H new ATOM 0 HH TYR A 30 7.036 -6.377 -1.865 1.00 0.00 H new ATOM 433 N GLU A 31 1.759 0.817 -2.849 1.00 0.00 N ATOM 434 CA GLU A 31 0.648 1.722 -3.119 1.00 0.00 C ATOM 435 C GLU A 31 -0.681 0.971 -3.107 1.00 0.00 C ATOM 436 O GLU A 31 -0.943 0.136 -3.972 1.00 0.00 O ATOM 437 CB GLU A 31 0.842 2.415 -4.470 1.00 0.00 C ATOM 438 CG GLU A 31 -0.062 3.619 -4.671 1.00 0.00 C ATOM 439 CD GLU A 31 0.166 4.304 -6.005 1.00 0.00 C ATOM 440 OE1 GLU A 31 -0.348 3.800 -7.025 1.00 0.00 O ATOM 441 OE2 GLU A 31 0.859 5.342 -6.029 1.00 0.00 O ATOM 0 H GLU A 31 2.374 0.654 -3.647 1.00 0.00 H new ATOM 0 HA GLU A 31 0.627 2.475 -2.332 1.00 0.00 H new ATOM 0 HB2 GLU A 31 1.881 2.732 -4.560 1.00 0.00 H new ATOM 0 HB3 GLU A 31 0.658 1.696 -5.268 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.103 3.303 -4.603 1.00 0.00 H new ATOM 0 HG3 GLU A 31 0.107 4.334 -3.866 1.00 0.00 H new ATOM 448 N VAL A 32 -1.516 1.275 -2.118 1.00 0.00 N ATOM 449 CA VAL A 32 -2.818 0.631 -1.992 1.00 0.00 C ATOM 450 C VAL A 32 -3.902 1.645 -1.646 1.00 0.00 C ATOM 451 O VAL A 32 -3.625 2.683 -1.045 1.00 0.00 O ATOM 452 CB VAL A 32 -2.797 -0.470 -0.915 1.00 0.00 C ATOM 453 CG1 VAL A 32 -1.791 -1.551 -1.276 1.00 0.00 C ATOM 454 CG2 VAL A 32 -2.486 0.127 0.450 1.00 0.00 C ATOM 0 H VAL A 32 -1.314 1.963 -1.393 1.00 0.00 H new ATOM 0 HA VAL A 32 -3.043 0.180 -2.958 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.785 -0.929 -0.869 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.790 -2.320 -0.504 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -2.064 -1.997 -2.232 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.796 -1.112 -1.351 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.475 -0.664 1.199 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -1.511 0.613 0.421 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -3.249 0.861 0.709 1.00 0.00 H new ATOM 464 N GLU A 33 -5.137 1.337 -2.029 1.00 0.00 N ATOM 465 CA GLU A 33 -6.263 2.224 -1.759 1.00 0.00 C ATOM 466 C GLU A 33 -7.085 1.714 -0.578 1.00 0.00 C ATOM 467 O GLU A 33 -7.126 0.514 -0.309 1.00 0.00 O ATOM 468 CB GLU A 33 -7.153 2.347 -2.998 1.00 0.00 C ATOM 469 CG GLU A 33 -8.583 2.751 -2.683 1.00 0.00 C ATOM 470 CD GLU A 33 -9.359 3.164 -3.919 1.00 0.00 C ATOM 471 OE1 GLU A 33 -8.741 3.731 -4.844 1.00 0.00 O ATOM 472 OE2 GLU A 33 -10.583 2.920 -3.961 1.00 0.00 O ATOM 0 H GLU A 33 -5.383 0.481 -2.527 1.00 0.00 H new ATOM 0 HA GLU A 33 -5.866 3.207 -1.507 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -6.718 3.081 -3.676 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -7.162 1.393 -3.525 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -9.094 1.918 -2.200 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.575 3.576 -1.971 1.00 0.00 H new ATOM 479 N ILE A 34 -7.737 2.636 0.122 1.00 0.00 N ATOM 480 CA ILE A 34 -8.558 2.281 1.274 1.00 0.00 C ATOM 481 C ILE A 34 -9.964 1.877 0.843 1.00 0.00 C ATOM 482 O ILE A 34 -10.674 2.651 0.199 1.00 0.00 O ATOM 483 CB ILE A 34 -8.655 3.446 2.276 1.00 0.00 C ATOM 484 CG1 ILE A 34 -7.271 3.785 2.833 1.00 0.00 C ATOM 485 CG2 ILE A 34 -9.614 3.095 3.404 1.00 0.00 C ATOM 486 CD1 ILE A 34 -6.772 2.791 3.859 1.00 0.00 C ATOM 0 H ILE A 34 -7.713 3.634 -0.088 1.00 0.00 H new ATOM 0 HA ILE A 34 -8.072 1.435 1.759 1.00 0.00 H new ATOM 0 HB ILE A 34 -9.041 4.322 1.756 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -6.559 3.833 2.009 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -7.303 4.776 3.285 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -9.672 3.928 4.104 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -10.604 2.897 2.992 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -9.254 2.208 3.925 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -5.786 3.095 4.210 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -7.463 2.760 4.701 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.707 1.802 3.406 1.00 0.00 H new ATOM 498 N LEU A 35 -10.361 0.662 1.202 1.00 0.00 N ATOM 499 CA LEU A 35 -11.684 0.155 0.855 1.00 0.00 C ATOM 500 C LEU A 35 -12.631 0.242 2.047 1.00 0.00 C ATOM 501 O LEU A 35 -13.676 0.889 1.977 1.00 0.00 O ATOM 502 CB LEU A 35 -11.586 -1.293 0.372 1.00 0.00 C ATOM 503 CG LEU A 35 -10.418 -1.612 -0.562 1.00 0.00 C ATOM 504 CD1 LEU A 35 -10.401 -3.092 -0.910 1.00 0.00 C ATOM 505 CD2 LEU A 35 -10.497 -0.766 -1.824 1.00 0.00 C ATOM 0 H LEU A 35 -9.786 0.009 1.734 1.00 0.00 H new ATOM 0 HA LEU A 35 -12.084 0.774 0.052 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -11.515 -1.942 1.245 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -12.514 -1.548 -0.140 1.00 0.00 H new ATOM 0 HG LEU A 35 -9.489 -1.371 -0.045 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -9.563 -3.300 -1.575 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -10.294 -3.679 0.002 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -11.334 -3.360 -1.407 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -9.658 -1.007 -2.477 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -11.432 -0.974 -2.344 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -10.458 0.290 -1.557 1.00 0.00 H new ATOM 517 N SER A 36 -12.257 -0.411 3.143 1.00 0.00 N ATOM 518 CA SER A 36 -13.074 -0.408 4.351 1.00 0.00 C ATOM 519 C SER A 36 -12.198 -0.375 5.599 1.00 0.00 C ATOM 520 O SER A 36 -10.973 -0.275 5.510 1.00 0.00 O ATOM 521 CB SER A 36 -13.979 -1.641 4.382 1.00 0.00 C ATOM 522 OG SER A 36 -14.869 -1.649 3.280 1.00 0.00 O ATOM 0 H SER A 36 -11.394 -0.949 3.219 1.00 0.00 H new ATOM 0 HA SER A 36 -13.693 0.489 4.339 1.00 0.00 H new ATOM 0 HB2 SER A 36 -13.369 -2.544 4.367 1.00 0.00 H new ATOM 0 HB3 SER A 36 -14.547 -1.656 5.312 1.00 0.00 H new ATOM 0 HG SER A 36 -15.435 -2.448 3.322 1.00 0.00 H new ATOM 528 N HIS A 37 -12.834 -0.458 6.763 1.00 0.00 N ATOM 529 CA HIS A 37 -12.113 -0.438 8.031 1.00 0.00 C ATOM 530 C HIS A 37 -12.967 -1.026 9.151 1.00 0.00 C ATOM 531 O HIS A 37 -14.193 -0.914 9.134 1.00 0.00 O ATOM 532 CB HIS A 37 -11.701 0.991 8.385 1.00 0.00 C ATOM 533 CG HIS A 37 -11.553 1.225 9.857 1.00 0.00 C ATOM 534 ND1 HIS A 37 -10.558 0.644 10.615 1.00 0.00 N ATOM 535 CD2 HIS A 37 -12.280 1.983 10.711 1.00 0.00 C ATOM 536 CE1 HIS A 37 -10.680 1.034 11.871 1.00 0.00 C ATOM 537 NE2 HIS A 37 -11.718 1.847 11.956 1.00 0.00 N ATOM 0 H HIS A 37 -13.847 -0.540 6.855 1.00 0.00 H new ATOM 0 HA HIS A 37 -11.218 -1.050 7.921 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -10.756 1.220 7.892 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -12.444 1.683 7.988 1.00 0.00 H new ATOM 0 HD1 HIS A 37 -9.840 0.012 10.261 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -13.142 2.583 10.460 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -10.040 0.739 12.689 1.00 0.00 H new ATOM 546 N ASP A 38 -12.311 -1.652 10.122 1.00 0.00 N ATOM 547 CA ASP A 38 -13.010 -2.257 11.250 1.00 0.00 C ATOM 548 C ASP A 38 -12.537 -1.654 12.569 1.00 0.00 C ATOM 549 O ASP A 38 -11.337 -1.540 12.816 1.00 0.00 O ATOM 550 CB ASP A 38 -12.791 -3.771 11.260 1.00 0.00 C ATOM 551 CG ASP A 38 -13.932 -4.516 11.924 1.00 0.00 C ATOM 552 OD1 ASP A 38 -14.047 -4.440 13.166 1.00 0.00 O ATOM 553 OD2 ASP A 38 -14.710 -5.175 11.203 1.00 0.00 O ATOM 0 H ASP A 38 -11.296 -1.754 10.151 1.00 0.00 H new ATOM 0 HA ASP A 38 -14.075 -2.052 11.138 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -12.677 -4.126 10.236 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -11.861 -3.997 11.781 1.00 0.00 H new ATOM 558 N SER A 39 -13.490 -1.267 13.412 1.00 0.00 N ATOM 559 CA SER A 39 -13.171 -0.671 14.704 1.00 0.00 C ATOM 560 C SER A 39 -13.009 -1.746 15.773 1.00 0.00 C ATOM 561 O SER A 39 -12.316 -1.547 16.772 1.00 0.00 O ATOM 562 CB SER A 39 -14.265 0.315 15.117 1.00 0.00 C ATOM 563 OG SER A 39 -15.541 -0.300 15.097 1.00 0.00 O ATOM 0 H SER A 39 -14.488 -1.356 13.223 1.00 0.00 H new ATOM 0 HA SER A 39 -12.227 -0.136 14.607 1.00 0.00 H new ATOM 0 HB2 SER A 39 -14.057 0.695 16.117 1.00 0.00 H new ATOM 0 HB3 SER A 39 -14.260 1.171 14.443 1.00 0.00 H new ATOM 0 HG SER A 39 -16.222 0.351 15.367 1.00 0.00 H new ATOM 569 N THR A 40 -13.653 -2.889 15.558 1.00 0.00 N ATOM 570 CA THR A 40 -13.583 -3.996 16.502 1.00 0.00 C ATOM 571 C THR A 40 -12.358 -4.866 16.240 1.00 0.00 C ATOM 572 O THR A 40 -11.828 -5.500 17.152 1.00 0.00 O ATOM 573 CB THR A 40 -14.846 -4.875 16.433 1.00 0.00 C ATOM 574 OG1 THR A 40 -16.001 -4.100 16.776 1.00 0.00 O ATOM 575 CG2 THR A 40 -14.730 -6.064 17.375 1.00 0.00 C ATOM 0 H THR A 40 -14.230 -3.072 14.737 1.00 0.00 H new ATOM 0 HA THR A 40 -13.508 -3.557 17.497 1.00 0.00 H new ATOM 0 HB THR A 40 -14.948 -5.247 15.414 1.00 0.00 H new ATOM 0 HG1 THR A 40 -16.800 -4.665 16.728 1.00 0.00 H new ATOM 0 HG21 THR A 40 -15.634 -6.670 17.309 1.00 0.00 H new ATOM 0 HG22 THR A 40 -13.867 -6.668 17.094 1.00 0.00 H new ATOM 0 HG23 THR A 40 -14.606 -5.707 18.398 1.00 0.00 H new ATOM 583 N SER A 41 -11.913 -4.890 14.987 1.00 0.00 N ATOM 584 CA SER A 41 -10.752 -5.685 14.604 1.00 0.00 C ATOM 585 C SER A 41 -9.533 -4.794 14.383 1.00 0.00 C ATOM 586 O SER A 41 -8.394 -5.253 14.464 1.00 0.00 O ATOM 587 CB SER A 41 -11.051 -6.484 13.334 1.00 0.00 C ATOM 588 OG SER A 41 -10.143 -7.561 13.184 1.00 0.00 O ATOM 0 H SER A 41 -12.339 -4.368 14.221 1.00 0.00 H new ATOM 0 HA SER A 41 -10.532 -6.377 15.417 1.00 0.00 H new ATOM 0 HB2 SER A 41 -12.071 -6.867 13.373 1.00 0.00 H new ATOM 0 HB3 SER A 41 -10.989 -5.829 12.465 1.00 0.00 H new ATOM 0 HG SER A 41 -10.525 -8.229 12.577 1.00 0.00 H new ATOM 594 N GLN A 42 -9.783 -3.519 14.105 1.00 0.00 N ATOM 595 CA GLN A 42 -8.706 -2.564 13.872 1.00 0.00 C ATOM 596 C GLN A 42 -7.917 -2.928 12.619 1.00 0.00 C ATOM 597 O GLN A 42 -6.697 -2.761 12.569 1.00 0.00 O ATOM 598 CB GLN A 42 -7.771 -2.512 15.081 1.00 0.00 C ATOM 599 CG GLN A 42 -8.485 -2.214 16.390 1.00 0.00 C ATOM 600 CD GLN A 42 -8.622 -0.727 16.654 1.00 0.00 C ATOM 601 OE1 GLN A 42 -7.689 -0.080 17.130 1.00 0.00 O ATOM 602 NE2 GLN A 42 -9.791 -0.177 16.345 1.00 0.00 N ATOM 0 H GLN A 42 -10.721 -3.123 14.036 1.00 0.00 H new ATOM 0 HA GLN A 42 -9.152 -1.581 13.725 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -7.251 -3.466 15.169 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -7.011 -1.750 14.910 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -9.475 -2.669 16.371 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -7.938 -2.676 17.212 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -10.537 -0.751 15.952 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -9.943 0.820 16.500 1.00 0.00 H new ATOM 611 N LEU A 43 -8.619 -3.428 11.608 1.00 0.00 N ATOM 612 CA LEU A 43 -7.984 -3.817 10.354 1.00 0.00 C ATOM 613 C LEU A 43 -8.558 -3.025 9.184 1.00 0.00 C ATOM 614 O LEU A 43 -9.775 -2.920 9.029 1.00 0.00 O ATOM 615 CB LEU A 43 -8.169 -5.316 10.109 1.00 0.00 C ATOM 616 CG LEU A 43 -7.402 -6.249 11.046 1.00 0.00 C ATOM 617 CD1 LEU A 43 -7.919 -7.674 10.922 1.00 0.00 C ATOM 618 CD2 LEU A 43 -5.911 -6.193 10.752 1.00 0.00 C ATOM 0 H LEU A 43 -9.628 -3.574 11.632 1.00 0.00 H new ATOM 0 HA LEU A 43 -6.919 -3.596 10.431 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -9.231 -5.548 10.187 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -7.869 -5.536 9.084 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.562 -5.914 12.071 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -7.361 -8.323 11.596 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -8.977 -7.701 11.184 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -7.790 -8.020 9.896 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -5.381 -6.863 11.429 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -5.731 -6.501 9.722 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -5.550 -5.174 10.894 1.00 0.00 H new ATOM 630 N TYR A 44 -7.674 -2.470 8.361 1.00 0.00 N ATOM 631 CA TYR A 44 -8.092 -1.687 7.205 1.00 0.00 C ATOM 632 C TYR A 44 -7.988 -2.509 5.924 1.00 0.00 C ATOM 633 O TYR A 44 -6.922 -3.023 5.586 1.00 0.00 O ATOM 634 CB TYR A 44 -7.240 -0.423 7.084 1.00 0.00 C ATOM 635 CG TYR A 44 -7.643 0.674 8.043 1.00 0.00 C ATOM 636 CD1 TYR A 44 -7.426 0.543 9.410 1.00 0.00 C ATOM 637 CD2 TYR A 44 -8.241 1.841 7.584 1.00 0.00 C ATOM 638 CE1 TYR A 44 -7.794 1.542 10.290 1.00 0.00 C ATOM 639 CE2 TYR A 44 -8.610 2.845 8.457 1.00 0.00 C ATOM 640 CZ TYR A 44 -8.385 2.691 9.809 1.00 0.00 C ATOM 641 OH TYR A 44 -8.753 3.689 10.682 1.00 0.00 O ATOM 0 H TYR A 44 -6.663 -2.548 8.474 1.00 0.00 H new ATOM 0 HA TYR A 44 -9.134 -1.402 7.349 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -6.196 -0.681 7.259 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -7.308 -0.045 6.064 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -6.962 -0.355 9.790 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -8.420 1.965 6.526 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -7.620 1.424 11.349 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -9.073 3.746 8.083 1.00 0.00 H new ATOM 0 HH TYR A 44 -8.321 3.541 11.549 1.00 0.00 H new ATOM 651 N THR A 45 -9.105 -2.628 5.213 1.00 0.00 N ATOM 652 CA THR A 45 -9.142 -3.386 3.969 1.00 0.00 C ATOM 653 C THR A 45 -8.677 -2.536 2.792 1.00 0.00 C ATOM 654 O THR A 45 -9.408 -1.670 2.312 1.00 0.00 O ATOM 655 CB THR A 45 -10.559 -3.916 3.676 1.00 0.00 C ATOM 656 OG1 THR A 45 -11.094 -4.553 4.842 1.00 0.00 O ATOM 657 CG2 THR A 45 -10.539 -4.902 2.518 1.00 0.00 C ATOM 0 H THR A 45 -9.996 -2.209 5.478 1.00 0.00 H new ATOM 0 HA THR A 45 -8.464 -4.230 4.094 1.00 0.00 H new ATOM 0 HB THR A 45 -11.190 -3.071 3.402 1.00 0.00 H new ATOM 0 HG1 THR A 45 -11.995 -4.886 4.649 1.00 0.00 H new ATOM 0 HG21 THR A 45 -11.550 -5.263 2.330 1.00 0.00 H new ATOM 0 HG22 THR A 45 -10.158 -4.407 1.625 1.00 0.00 H new ATOM 0 HG23 THR A 45 -9.894 -5.744 2.769 1.00 0.00 H new ATOM 665 N VAL A 46 -7.456 -2.790 2.331 1.00 0.00 N ATOM 666 CA VAL A 46 -6.894 -2.048 1.209 1.00 0.00 C ATOM 667 C VAL A 46 -6.765 -2.934 -0.025 1.00 0.00 C ATOM 668 O VAL A 46 -6.682 -4.158 0.081 1.00 0.00 O ATOM 669 CB VAL A 46 -5.511 -1.467 1.557 1.00 0.00 C ATOM 670 CG1 VAL A 46 -5.614 -0.512 2.736 1.00 0.00 C ATOM 671 CG2 VAL A 46 -4.522 -2.585 1.850 1.00 0.00 C ATOM 0 H VAL A 46 -6.838 -3.504 2.717 1.00 0.00 H new ATOM 0 HA VAL A 46 -7.580 -1.229 0.995 1.00 0.00 H new ATOM 0 HB VAL A 46 -5.145 -0.906 0.697 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.627 -0.112 2.967 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -6.288 0.307 2.483 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.001 -1.046 3.604 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.550 -2.156 2.094 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.880 -3.176 2.693 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.426 -3.225 0.973 1.00 0.00 H new ATOM 681 N LYS A 47 -6.748 -2.308 -1.197 1.00 0.00 N ATOM 682 CA LYS A 47 -6.627 -3.038 -2.454 1.00 0.00 C ATOM 683 C LYS A 47 -5.332 -2.673 -3.172 1.00 0.00 C ATOM 684 O LYS A 47 -4.968 -1.500 -3.259 1.00 0.00 O ATOM 685 CB LYS A 47 -7.825 -2.740 -3.358 1.00 0.00 C ATOM 686 CG LYS A 47 -7.970 -3.712 -4.516 1.00 0.00 C ATOM 687 CD LYS A 47 -9.017 -3.242 -5.511 1.00 0.00 C ATOM 688 CE LYS A 47 -9.682 -4.414 -6.217 1.00 0.00 C ATOM 689 NZ LYS A 47 -10.855 -3.981 -7.026 1.00 0.00 N ATOM 0 H LYS A 47 -6.817 -1.296 -1.303 1.00 0.00 H new ATOM 0 HA LYS A 47 -6.608 -4.104 -2.226 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -8.736 -2.763 -2.759 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -7.729 -1.729 -3.753 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -7.011 -3.823 -5.021 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -8.245 -4.695 -4.134 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -9.773 -2.651 -4.993 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -8.552 -2.588 -6.249 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -8.957 -4.907 -6.864 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -10.002 -5.149 -5.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -11.280 -4.808 -7.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -11.559 -3.533 -6.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -10.546 -3.299 -7.748 1.00 0.00 H new ATOM 703 N TYR A 48 -4.641 -3.685 -3.686 1.00 0.00 N ATOM 704 CA TYR A 48 -3.385 -3.471 -4.396 1.00 0.00 C ATOM 705 C TYR A 48 -3.621 -3.372 -5.900 1.00 0.00 C ATOM 706 O TYR A 48 -4.637 -3.840 -6.414 1.00 0.00 O ATOM 707 CB TYR A 48 -2.405 -4.605 -4.095 1.00 0.00 C ATOM 708 CG TYR A 48 -1.944 -4.641 -2.655 1.00 0.00 C ATOM 709 CD1 TYR A 48 -2.737 -5.209 -1.665 1.00 0.00 C ATOM 710 CD2 TYR A 48 -0.716 -4.107 -2.285 1.00 0.00 C ATOM 711 CE1 TYR A 48 -2.320 -5.243 -0.349 1.00 0.00 C ATOM 712 CE2 TYR A 48 -0.290 -4.138 -0.971 1.00 0.00 C ATOM 713 CZ TYR A 48 -1.096 -4.707 -0.007 1.00 0.00 C ATOM 714 OH TYR A 48 -0.676 -4.739 1.304 1.00 0.00 O ATOM 0 H TYR A 48 -4.929 -4.661 -3.624 1.00 0.00 H new ATOM 0 HA TYR A 48 -2.957 -2.530 -4.051 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -2.877 -5.556 -4.341 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -1.535 -4.504 -4.744 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -3.695 -5.631 -1.929 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -0.083 -3.660 -3.038 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.949 -5.687 0.408 1.00 0.00 H new ATOM 0 HE2 TYR A 48 0.668 -3.719 -0.700 1.00 0.00 H new ATOM 0 HH TYR A 48 0.208 -4.321 1.375 1.00 0.00 H new ATOM 724 N LYS A 49 -2.673 -2.760 -6.601 1.00 0.00 N ATOM 725 CA LYS A 49 -2.772 -2.600 -8.047 1.00 0.00 C ATOM 726 C LYS A 49 -3.237 -3.895 -8.707 1.00 0.00 C ATOM 727 O LYS A 49 -4.342 -3.965 -9.247 1.00 0.00 O ATOM 728 CB LYS A 49 -1.422 -2.176 -8.629 1.00 0.00 C ATOM 729 CG LYS A 49 -1.466 -1.882 -10.118 1.00 0.00 C ATOM 730 CD LYS A 49 -0.231 -1.123 -10.574 1.00 0.00 C ATOM 731 CE LYS A 49 0.954 -2.055 -10.775 1.00 0.00 C ATOM 732 NZ LYS A 49 1.693 -2.295 -9.505 1.00 0.00 N ATOM 0 H LYS A 49 -1.826 -2.366 -6.191 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.509 -1.823 -8.251 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -1.072 -1.288 -8.102 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -0.693 -2.965 -8.444 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.544 -2.817 -10.672 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -2.358 -1.299 -10.348 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.447 -0.601 -11.506 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.024 -0.363 -9.835 1.00 0.00 H new ATOM 0 HE2 LYS A 49 0.604 -3.006 -11.177 1.00 0.00 H new ATOM 0 HE3 LYS A 49 1.631 -1.627 -11.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 2.712 -2.353 -9.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 1.512 -1.512 -8.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 1.371 -3.188 -9.080 1.00 0.00 H new ATOM 746 N ASP A 50 -2.389 -4.916 -8.659 1.00 0.00 N ATOM 747 CA ASP A 50 -2.714 -6.209 -9.249 1.00 0.00 C ATOM 748 C ASP A 50 -4.197 -6.526 -9.079 1.00 0.00 C ATOM 749 O ASP A 50 -4.823 -7.108 -9.964 1.00 0.00 O ATOM 750 CB ASP A 50 -1.867 -7.312 -8.613 1.00 0.00 C ATOM 751 CG ASP A 50 -0.536 -7.497 -9.314 1.00 0.00 C ATOM 752 OD1 ASP A 50 -0.498 -7.377 -10.557 1.00 0.00 O ATOM 753 OD2 ASP A 50 0.469 -7.761 -8.621 1.00 0.00 O ATOM 0 H ASP A 50 -1.471 -4.873 -8.217 1.00 0.00 H new ATOM 0 HA ASP A 50 -2.491 -6.161 -10.315 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -1.692 -7.072 -7.564 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -2.421 -8.251 -8.637 1.00 0.00 H new ATOM 758 N GLY A 51 -4.752 -6.141 -7.934 1.00 0.00 N ATOM 759 CA GLY A 51 -6.156 -6.395 -7.668 1.00 0.00 C ATOM 760 C GLY A 51 -6.363 -7.359 -6.517 1.00 0.00 C ATOM 761 O GLY A 51 -7.188 -8.270 -6.600 1.00 0.00 O ATOM 0 H GLY A 51 -4.255 -5.658 -7.186 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -6.656 -5.453 -7.443 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.625 -6.799 -8.565 1.00 0.00 H new ATOM 765 N THR A 52 -5.611 -7.162 -5.438 1.00 0.00 N ATOM 766 CA THR A 52 -5.713 -8.023 -4.267 1.00 0.00 C ATOM 767 C THR A 52 -6.158 -7.233 -3.041 1.00 0.00 C ATOM 768 O THR A 52 -5.871 -6.042 -2.922 1.00 0.00 O ATOM 769 CB THR A 52 -4.372 -8.714 -3.959 1.00 0.00 C ATOM 770 OG1 THR A 52 -3.926 -9.451 -5.103 1.00 0.00 O ATOM 771 CG2 THR A 52 -4.507 -9.651 -2.768 1.00 0.00 C ATOM 0 H THR A 52 -4.924 -6.413 -5.352 1.00 0.00 H new ATOM 0 HA THR A 52 -6.460 -8.783 -4.498 1.00 0.00 H new ATOM 0 HB THR A 52 -3.640 -7.944 -3.715 1.00 0.00 H new ATOM 0 HG1 THR A 52 -3.072 -9.886 -4.899 1.00 0.00 H new ATOM 0 HG21 THR A 52 -3.547 -10.128 -2.569 1.00 0.00 H new ATOM 0 HG22 THR A 52 -4.818 -9.083 -1.891 1.00 0.00 H new ATOM 0 HG23 THR A 52 -5.253 -10.415 -2.989 1.00 0.00 H new ATOM 779 N GLU A 53 -6.860 -7.904 -2.133 1.00 0.00 N ATOM 780 CA GLU A 53 -7.344 -7.263 -0.916 1.00 0.00 C ATOM 781 C GLU A 53 -6.751 -7.928 0.322 1.00 0.00 C ATOM 782 O GLU A 53 -6.749 -9.154 0.442 1.00 0.00 O ATOM 783 CB GLU A 53 -8.872 -7.319 -0.857 1.00 0.00 C ATOM 784 CG GLU A 53 -9.553 -6.631 -2.028 1.00 0.00 C ATOM 785 CD GLU A 53 -10.907 -7.232 -2.351 1.00 0.00 C ATOM 786 OE1 GLU A 53 -11.654 -7.555 -1.404 1.00 0.00 O ATOM 787 OE2 GLU A 53 -11.219 -7.379 -3.551 1.00 0.00 O ATOM 0 H GLU A 53 -7.106 -8.890 -2.217 1.00 0.00 H new ATOM 0 HA GLU A 53 -7.026 -6.220 -0.934 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -9.188 -8.362 -0.826 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -9.208 -6.856 0.071 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -9.675 -5.572 -1.801 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -8.911 -6.697 -2.907 1.00 0.00 H new ATOM 794 N LEU A 54 -6.247 -7.111 1.241 1.00 0.00 N ATOM 795 CA LEU A 54 -5.650 -7.619 2.471 1.00 0.00 C ATOM 796 C LEU A 54 -6.071 -6.775 3.670 1.00 0.00 C ATOM 797 O LEU A 54 -6.708 -5.734 3.514 1.00 0.00 O ATOM 798 CB LEU A 54 -4.124 -7.632 2.353 1.00 0.00 C ATOM 799 CG LEU A 54 -3.550 -8.403 1.165 1.00 0.00 C ATOM 800 CD1 LEU A 54 -2.063 -8.122 1.014 1.00 0.00 C ATOM 801 CD2 LEU A 54 -3.798 -9.896 1.327 1.00 0.00 C ATOM 0 H LEU A 54 -6.240 -6.094 1.157 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.006 -8.638 2.624 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.775 -6.601 2.294 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -3.712 -8.056 3.269 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.056 -8.067 0.260 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.672 -8.680 0.163 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.909 -7.055 0.851 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.541 -8.429 1.920 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.382 -10.429 0.472 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.319 -10.247 2.241 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -4.870 -10.083 1.384 1.00 0.00 H new ATOM 813 N GLU A 55 -5.709 -7.232 4.865 1.00 0.00 N ATOM 814 CA GLU A 55 -6.050 -6.517 6.090 1.00 0.00 C ATOM 815 C GLU A 55 -4.797 -5.963 6.762 1.00 0.00 C ATOM 816 O GLU A 55 -3.897 -6.714 7.140 1.00 0.00 O ATOM 817 CB GLU A 55 -6.793 -7.442 7.056 1.00 0.00 C ATOM 818 CG GLU A 55 -8.298 -7.458 6.846 1.00 0.00 C ATOM 819 CD GLU A 55 -8.988 -8.539 7.655 1.00 0.00 C ATOM 820 OE1 GLU A 55 -8.580 -9.714 7.546 1.00 0.00 O ATOM 821 OE2 GLU A 55 -9.937 -8.210 8.397 1.00 0.00 O ATOM 0 H GLU A 55 -5.181 -8.092 5.011 1.00 0.00 H new ATOM 0 HA GLU A 55 -6.699 -5.682 5.825 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -6.408 -8.456 6.944 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -6.580 -7.132 8.079 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -8.710 -6.486 7.119 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.512 -7.609 5.788 1.00 0.00 H new ATOM 828 N LEU A 56 -4.745 -4.643 6.906 1.00 0.00 N ATOM 829 CA LEU A 56 -3.603 -3.986 7.532 1.00 0.00 C ATOM 830 C LEU A 56 -4.054 -3.083 8.676 1.00 0.00 C ATOM 831 O LEU A 56 -4.934 -2.239 8.505 1.00 0.00 O ATOM 832 CB LEU A 56 -2.830 -3.168 6.496 1.00 0.00 C ATOM 833 CG LEU A 56 -2.501 -3.884 5.186 1.00 0.00 C ATOM 834 CD1 LEU A 56 -1.752 -2.955 4.243 1.00 0.00 C ATOM 835 CD2 LEU A 56 -1.688 -5.142 5.455 1.00 0.00 C ATOM 0 H LEU A 56 -5.480 -4.007 6.598 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.949 -4.757 7.939 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.409 -2.274 6.263 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.896 -2.834 6.949 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.437 -4.175 4.709 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.526 -3.482 3.316 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.369 -2.084 4.024 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.823 -2.632 4.712 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.463 -5.639 4.511 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.757 -4.874 5.955 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.261 -5.816 6.092 1.00 0.00 H new ATOM 847 N LYS A 57 -3.444 -3.265 9.842 1.00 0.00 N ATOM 848 CA LYS A 57 -3.778 -2.465 11.014 1.00 0.00 C ATOM 849 C LYS A 57 -3.489 -0.988 10.766 1.00 0.00 C ATOM 850 O LYS A 57 -2.572 -0.643 10.022 1.00 0.00 O ATOM 851 CB LYS A 57 -2.990 -2.953 12.232 1.00 0.00 C ATOM 852 CG LYS A 57 -3.350 -4.364 12.664 1.00 0.00 C ATOM 853 CD LYS A 57 -2.758 -4.699 14.023 1.00 0.00 C ATOM 854 CE LYS A 57 -1.305 -5.135 13.906 1.00 0.00 C ATOM 855 NZ LYS A 57 -0.641 -5.214 15.237 1.00 0.00 N ATOM 0 H LYS A 57 -2.715 -3.960 10.001 1.00 0.00 H new ATOM 0 HA LYS A 57 -4.844 -2.580 11.209 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.925 -2.912 12.005 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.165 -2.271 13.064 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -4.434 -4.468 12.703 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.988 -5.076 11.923 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -2.826 -3.828 14.675 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -3.341 -5.493 14.489 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -1.256 -6.108 13.417 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -0.765 -4.432 13.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 0.347 -5.514 15.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -0.665 -4.280 15.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -1.141 -5.903 15.834 1.00 0.00 H new ATOM 869 N GLU A 58 -4.276 -0.122 11.396 1.00 0.00 N ATOM 870 CA GLU A 58 -4.102 1.318 11.243 1.00 0.00 C ATOM 871 C GLU A 58 -2.626 1.699 11.314 1.00 0.00 C ATOM 872 O GLU A 58 -2.207 2.708 10.750 1.00 0.00 O ATOM 873 CB GLU A 58 -4.886 2.067 12.323 1.00 0.00 C ATOM 874 CG GLU A 58 -5.230 3.497 11.944 1.00 0.00 C ATOM 875 CD GLU A 58 -5.385 4.400 13.153 1.00 0.00 C ATOM 876 OE1 GLU A 58 -4.374 4.986 13.590 1.00 0.00 O ATOM 877 OE2 GLU A 58 -6.520 4.519 13.661 1.00 0.00 O ATOM 0 H GLU A 58 -5.039 -0.392 12.016 1.00 0.00 H new ATOM 0 HA GLU A 58 -4.486 1.602 10.263 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.808 1.524 12.533 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -4.303 2.074 13.244 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -4.449 3.895 11.296 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -6.156 3.504 11.369 1.00 0.00 H new ATOM 884 N ASN A 59 -1.844 0.882 12.013 1.00 0.00 N ATOM 885 CA ASN A 59 -0.415 1.133 12.159 1.00 0.00 C ATOM 886 C ASN A 59 0.355 0.619 10.947 1.00 0.00 C ATOM 887 O ASN A 59 1.259 1.287 10.444 1.00 0.00 O ATOM 888 CB ASN A 59 0.113 0.468 13.432 1.00 0.00 C ATOM 889 CG ASN A 59 1.500 0.955 13.807 1.00 0.00 C ATOM 890 OD1 ASN A 59 2.498 0.520 13.233 1.00 0.00 O ATOM 891 ND2 ASN A 59 1.566 1.862 14.774 1.00 0.00 N ATOM 0 H ASN A 59 -2.176 0.042 12.486 1.00 0.00 H new ATOM 0 HA ASN A 59 -0.267 2.210 12.231 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -0.574 0.668 14.255 1.00 0.00 H new ATOM 0 HB3 ASN A 59 0.136 -0.613 13.291 1.00 0.00 H new ATOM 0 HD21 ASN A 59 2.471 2.227 15.070 1.00 0.00 H new ATOM 0 HD22 ASN A 59 0.711 2.194 15.221 1.00 0.00 H new ATOM 898 N ASP A 60 -0.010 -0.571 10.482 1.00 0.00 N ATOM 899 CA ASP A 60 0.645 -1.174 9.327 1.00 0.00 C ATOM 900 C ASP A 60 0.560 -0.255 8.112 1.00 0.00 C ATOM 901 O ASP A 60 1.389 -0.331 7.205 1.00 0.00 O ATOM 902 CB ASP A 60 0.010 -2.528 9.004 1.00 0.00 C ATOM 903 CG ASP A 60 0.475 -3.624 9.943 1.00 0.00 C ATOM 904 OD1 ASP A 60 -0.125 -3.768 11.029 1.00 0.00 O ATOM 905 OD2 ASP A 60 1.438 -4.337 9.593 1.00 0.00 O ATOM 0 H ASP A 60 -0.756 -1.137 10.887 1.00 0.00 H new ATOM 0 HA ASP A 60 1.696 -1.324 9.573 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -1.075 -2.440 9.062 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.253 -2.805 7.978 1.00 0.00 H new ATOM 910 N ILE A 61 -0.448 0.610 8.102 1.00 0.00 N ATOM 911 CA ILE A 61 -0.642 1.543 6.998 1.00 0.00 C ATOM 912 C ILE A 61 0.068 2.866 7.266 1.00 0.00 C ATOM 913 O ILE A 61 0.044 3.381 8.384 1.00 0.00 O ATOM 914 CB ILE A 61 -2.136 1.817 6.748 1.00 0.00 C ATOM 915 CG1 ILE A 61 -2.887 0.504 6.522 1.00 0.00 C ATOM 916 CG2 ILE A 61 -2.312 2.746 5.556 1.00 0.00 C ATOM 917 CD1 ILE A 61 -4.370 0.688 6.287 1.00 0.00 C ATOM 0 H ILE A 61 -1.143 0.685 8.845 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.214 1.076 6.111 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.553 2.305 7.629 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.453 -0.010 5.665 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.742 -0.142 7.388 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -3.374 2.930 5.392 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.806 3.691 5.753 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.883 2.283 4.667 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.838 -0.285 6.134 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -4.818 1.174 7.154 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.524 1.307 5.403 1.00 0.00 H new ATOM 929 N LYS A 62 0.699 3.412 6.232 1.00 0.00 N ATOM 930 CA LYS A 62 1.414 4.677 6.353 1.00 0.00 C ATOM 931 C LYS A 62 1.155 5.567 5.142 1.00 0.00 C ATOM 932 O LYS A 62 1.031 5.080 4.018 1.00 0.00 O ATOM 933 CB LYS A 62 2.917 4.425 6.501 1.00 0.00 C ATOM 934 CG LYS A 62 3.289 3.712 7.789 1.00 0.00 C ATOM 935 CD LYS A 62 4.682 4.099 8.259 1.00 0.00 C ATOM 936 CE LYS A 62 5.203 3.135 9.313 1.00 0.00 C ATOM 937 NZ LYS A 62 4.744 3.506 10.680 1.00 0.00 N ATOM 0 H LYS A 62 0.730 2.998 5.300 1.00 0.00 H new ATOM 0 HA LYS A 62 1.047 5.189 7.243 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.263 3.832 5.654 1.00 0.00 H new ATOM 0 HB3 LYS A 62 3.443 5.379 6.458 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.562 3.956 8.564 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.242 2.634 7.636 1.00 0.00 H new ATOM 0 HD2 LYS A 62 5.363 4.112 7.408 1.00 0.00 H new ATOM 0 HD3 LYS A 62 4.662 5.110 8.667 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.867 2.125 9.079 1.00 0.00 H new ATOM 0 HE3 LYS A 62 6.293 3.123 9.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 5.120 2.824 11.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 5.086 4.460 10.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.705 3.493 10.713 1.00 0.00 H new ATOM 951 N SER A 63 1.075 6.872 5.378 1.00 0.00 N ATOM 952 CA SER A 63 0.828 7.830 4.306 1.00 0.00 C ATOM 953 C SER A 63 1.848 8.964 4.345 1.00 0.00 C ATOM 954 O SER A 63 2.348 9.328 5.408 1.00 0.00 O ATOM 955 CB SER A 63 -0.588 8.398 4.418 1.00 0.00 C ATOM 956 OG SER A 63 -1.065 8.831 3.156 1.00 0.00 O ATOM 0 H SER A 63 1.178 7.291 6.302 1.00 0.00 H new ATOM 0 HA SER A 63 0.928 7.308 3.355 1.00 0.00 H new ATOM 0 HB2 SER A 63 -1.257 7.638 4.822 1.00 0.00 H new ATOM 0 HB3 SER A 63 -0.594 9.233 5.119 1.00 0.00 H new ATOM 0 HG SER A 63 -1.966 9.203 3.257 1.00 0.00 H new ATOM 962 N GLY A 64 2.152 9.518 3.175 1.00 0.00 N ATOM 963 CA GLY A 64 3.110 10.605 3.096 1.00 0.00 C ATOM 964 C GLY A 64 2.456 11.966 3.227 1.00 0.00 C ATOM 965 O GLY A 64 1.237 12.106 3.114 1.00 0.00 O ATOM 0 H GLY A 64 1.752 9.233 2.281 1.00 0.00 H new ATOM 0 HA2 GLY A 64 3.855 10.486 3.883 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.639 10.550 2.145 1.00 0.00 H new ATOM 969 N PRO A 65 3.274 13.000 3.471 1.00 0.00 N ATOM 970 CA PRO A 65 2.790 14.375 3.624 1.00 0.00 C ATOM 971 C PRO A 65 2.283 14.960 2.310 1.00 0.00 C ATOM 972 O PRO A 65 3.060 15.195 1.384 1.00 0.00 O ATOM 973 CB PRO A 65 4.027 15.136 4.106 1.00 0.00 C ATOM 974 CG PRO A 65 5.181 14.342 3.599 1.00 0.00 C ATOM 975 CD PRO A 65 4.737 12.906 3.617 1.00 0.00 C ATOM 0 HA PRO A 65 1.943 14.435 4.308 1.00 0.00 H new ATOM 0 HB2 PRO A 65 4.044 16.153 3.714 1.00 0.00 H new ATOM 0 HB3 PRO A 65 4.046 15.213 5.193 1.00 0.00 H new ATOM 0 HG2 PRO A 65 5.455 14.653 2.591 1.00 0.00 H new ATOM 0 HG3 PRO A 65 6.060 14.486 4.227 1.00 0.00 H new ATOM 0 HD2 PRO A 65 5.186 12.336 2.804 1.00 0.00 H new ATOM 0 HD3 PRO A 65 5.017 12.410 4.546 1.00 0.00 H new ATOM 983 N SER A 66 0.977 15.194 2.236 1.00 0.00 N ATOM 984 CA SER A 66 0.367 15.749 1.034 1.00 0.00 C ATOM 985 C SER A 66 0.366 17.274 1.079 1.00 0.00 C ATOM 986 O SER A 66 -0.335 17.882 1.889 1.00 0.00 O ATOM 987 CB SER A 66 -1.064 15.232 0.877 1.00 0.00 C ATOM 988 OG SER A 66 -1.868 15.614 1.979 1.00 0.00 O ATOM 0 H SER A 66 0.321 15.008 2.994 1.00 0.00 H new ATOM 0 HA SER A 66 0.958 15.428 0.176 1.00 0.00 H new ATOM 0 HB2 SER A 66 -1.496 15.622 -0.045 1.00 0.00 H new ATOM 0 HB3 SER A 66 -1.054 14.146 0.789 1.00 0.00 H new ATOM 0 HG SER A 66 -1.554 16.473 2.331 1.00 0.00 H new ATOM 994 N SER A 67 1.156 17.887 0.203 1.00 0.00 N ATOM 995 CA SER A 67 1.250 19.341 0.145 1.00 0.00 C ATOM 996 C SER A 67 2.056 19.785 -1.072 1.00 0.00 C ATOM 997 O SER A 67 3.218 19.413 -1.231 1.00 0.00 O ATOM 998 CB SER A 67 1.895 19.883 1.422 1.00 0.00 C ATOM 999 OG SER A 67 1.430 21.189 1.713 1.00 0.00 O ATOM 0 H SER A 67 1.740 17.399 -0.476 1.00 0.00 H new ATOM 0 HA SER A 67 0.240 19.742 0.057 1.00 0.00 H new ATOM 0 HB2 SER A 67 1.670 19.219 2.257 1.00 0.00 H new ATOM 0 HB3 SER A 67 2.979 19.896 1.308 1.00 0.00 H new ATOM 0 HG SER A 67 1.856 21.512 2.534 1.00 0.00 H new ATOM 1005 N GLY A 68 1.428 20.583 -1.931 1.00 0.00 N ATOM 1006 CA GLY A 68 2.101 21.065 -3.123 1.00 0.00 C ATOM 1007 C GLY A 68 2.132 22.578 -3.199 1.00 0.00 C ATOM 1008 O GLY A 68 1.223 23.198 -3.750 1.00 0.00 O ATOM 0 H GLY A 68 0.466 20.904 -1.822 1.00 0.00 H new ATOM 0 HA2 GLY A 68 3.122 20.682 -3.140 1.00 0.00 H new ATOM 0 HA3 GLY A 68 1.598 20.670 -4.006 1.00 0.00 H new TER 1012 GLY A 68