USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=21 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 HD1:sc= -0.997 K(o=-1.4,f=-3.5!) USER MOD Set 1.2: A 44 TYR OH : rot 133:sc= -0.424 USER MOD Set 2.1: A 29 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 11:sc= 0.887 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) 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 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -53:sc= 0.128 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -55:sc=0.000544 USER MOD Single : A 42 GLN : amide:sc= -0.0922 K(o=-0.092,f=-0.99) 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 -135:sc= -0.518 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 151:sc= -1.33! USER MOD Single : A 57 LYS NZ :NH3+ -157:sc= -0.512 (180deg=-1.39!) USER MOD Single : A 59 ASN : amide:sc= -0.855 K(o=-0.86,f=-3.1!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot -57:sc= 0.0575 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.052 0.640 17.364 1.00 0.00 N ATOM 2 CA GLY A 1 -17.464 1.946 17.132 1.00 0.00 C ATOM 3 C GLY A 1 -18.273 2.782 16.161 1.00 0.00 C ATOM 4 O GLY A 1 -17.893 2.940 15.000 1.00 0.00 O ATOM 0 H1 GLY A 1 -17.462 0.108 18.035 1.00 0.00 H new ATOM 0 H2 GLY A 1 -19.007 0.755 17.759 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.109 0.120 16.465 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.379 2.477 18.080 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.453 1.822 16.745 1.00 0.00 H new ATOM 8 N SER A 2 -19.394 3.318 16.634 1.00 0.00 N ATOM 9 CA SER A 2 -20.262 4.138 15.798 1.00 0.00 C ATOM 10 C SER A 2 -21.125 5.062 16.652 1.00 0.00 C ATOM 11 O SER A 2 -21.214 4.897 17.869 1.00 0.00 O ATOM 12 CB SER A 2 -21.153 3.250 14.927 1.00 0.00 C ATOM 13 OG SER A 2 -21.652 3.966 13.811 1.00 0.00 O ATOM 0 H SER A 2 -19.722 3.199 17.592 1.00 0.00 H new ATOM 0 HA SER A 2 -19.631 4.751 15.154 1.00 0.00 H new ATOM 0 HB2 SER A 2 -20.585 2.385 14.584 1.00 0.00 H new ATOM 0 HB3 SER A 2 -21.985 2.870 15.521 1.00 0.00 H new ATOM 0 HG SER A 2 -22.217 3.376 13.270 1.00 0.00 H new ATOM 19 N SER A 3 -21.758 6.035 16.005 1.00 0.00 N ATOM 20 CA SER A 3 -22.611 6.989 16.705 1.00 0.00 C ATOM 21 C SER A 3 -23.605 7.634 15.745 1.00 0.00 C ATOM 22 O SER A 3 -23.552 7.412 14.536 1.00 0.00 O ATOM 23 CB SER A 3 -21.760 8.068 17.378 1.00 0.00 C ATOM 24 OG SER A 3 -21.077 7.549 18.505 1.00 0.00 O ATOM 0 H SER A 3 -21.697 6.184 14.998 1.00 0.00 H new ATOM 0 HA SER A 3 -23.169 6.448 17.469 1.00 0.00 H new ATOM 0 HB2 SER A 3 -21.039 8.466 16.663 1.00 0.00 H new ATOM 0 HB3 SER A 3 -22.396 8.898 17.685 1.00 0.00 H new ATOM 0 HG SER A 3 -21.157 6.572 18.515 1.00 0.00 H new ATOM 30 N GLY A 4 -24.513 8.436 16.293 1.00 0.00 N ATOM 31 CA GLY A 4 -25.508 9.102 15.473 1.00 0.00 C ATOM 32 C GLY A 4 -25.334 10.607 15.459 1.00 0.00 C ATOM 33 O GLY A 4 -25.991 11.322 16.216 1.00 0.00 O ATOM 0 H GLY A 4 -24.577 8.636 17.291 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -25.447 8.723 14.453 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -26.503 8.858 15.845 1.00 0.00 H new ATOM 37 N SER A 5 -24.446 11.091 14.596 1.00 0.00 N ATOM 38 CA SER A 5 -24.184 12.522 14.490 1.00 0.00 C ATOM 39 C SER A 5 -23.951 12.925 13.038 1.00 0.00 C ATOM 40 O SER A 5 -23.337 12.188 12.267 1.00 0.00 O ATOM 41 CB SER A 5 -22.969 12.903 15.338 1.00 0.00 C ATOM 42 OG SER A 5 -23.224 12.696 16.717 1.00 0.00 O ATOM 0 H SER A 5 -23.896 10.513 13.960 1.00 0.00 H new ATOM 0 HA SER A 5 -25.059 13.055 14.861 1.00 0.00 H new ATOM 0 HB2 SER A 5 -22.107 12.310 15.031 1.00 0.00 H new ATOM 0 HB3 SER A 5 -22.714 13.949 15.165 1.00 0.00 H new ATOM 0 HG SER A 5 -22.432 12.945 17.237 1.00 0.00 H new ATOM 48 N SER A 6 -24.448 14.103 12.671 1.00 0.00 N ATOM 49 CA SER A 6 -24.298 14.604 11.310 1.00 0.00 C ATOM 50 C SER A 6 -22.843 14.522 10.857 1.00 0.00 C ATOM 51 O SER A 6 -21.923 14.743 11.643 1.00 0.00 O ATOM 52 CB SER A 6 -24.791 16.050 11.219 1.00 0.00 C ATOM 53 OG SER A 6 -24.159 16.866 12.190 1.00 0.00 O ATOM 0 H SER A 6 -24.957 14.727 13.297 1.00 0.00 H new ATOM 0 HA SER A 6 -24.901 13.979 10.651 1.00 0.00 H new ATOM 0 HB2 SER A 6 -24.591 16.444 10.222 1.00 0.00 H new ATOM 0 HB3 SER A 6 -25.871 16.079 11.362 1.00 0.00 H new ATOM 0 HG SER A 6 -24.490 17.785 12.110 1.00 0.00 H new ATOM 59 N GLY A 7 -22.644 14.202 9.582 1.00 0.00 N ATOM 60 CA GLY A 7 -21.300 14.096 9.045 1.00 0.00 C ATOM 61 C GLY A 7 -20.654 12.761 9.360 1.00 0.00 C ATOM 62 O GLY A 7 -20.415 12.439 10.523 1.00 0.00 O ATOM 0 H GLY A 7 -23.389 14.014 8.912 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -21.332 14.235 7.964 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -20.685 14.899 9.452 1.00 0.00 H new ATOM 66 N MET A 8 -20.372 11.983 8.320 1.00 0.00 N ATOM 67 CA MET A 8 -19.750 10.675 8.492 1.00 0.00 C ATOM 68 C MET A 8 -18.397 10.803 9.184 1.00 0.00 C ATOM 69 O MET A 8 -17.660 11.770 8.986 1.00 0.00 O ATOM 70 CB MET A 8 -19.580 9.985 7.137 1.00 0.00 C ATOM 71 CG MET A 8 -18.451 10.563 6.299 1.00 0.00 C ATOM 72 SD MET A 8 -17.886 9.427 5.018 1.00 0.00 S ATOM 73 CE MET A 8 -18.967 9.879 3.663 1.00 0.00 C ATOM 0 H MET A 8 -20.564 12.235 7.350 1.00 0.00 H new ATOM 0 HA MET A 8 -20.403 10.070 9.120 1.00 0.00 H new ATOM 0 HB2 MET A 8 -19.394 8.923 7.300 1.00 0.00 H new ATOM 0 HB3 MET A 8 -20.513 10.063 6.579 1.00 0.00 H new ATOM 0 HG2 MET A 8 -18.786 11.490 5.835 1.00 0.00 H new ATOM 0 HG3 MET A 8 -17.614 10.817 6.949 1.00 0.00 H new ATOM 0 HE1 MET A 8 -18.739 9.261 2.794 1.00 0.00 H new ATOM 0 HE2 MET A 8 -20.005 9.722 3.958 1.00 0.00 H new ATOM 0 HE3 MET A 8 -18.816 10.929 3.412 1.00 0.00 H new ATOM 83 N PRO A 9 -18.059 9.806 10.016 1.00 0.00 N ATOM 84 CA PRO A 9 -16.793 9.785 10.753 1.00 0.00 C ATOM 85 C PRO A 9 -15.593 9.560 9.839 1.00 0.00 C ATOM 86 O PRO A 9 -15.679 8.823 8.857 1.00 0.00 O ATOM 87 CB PRO A 9 -16.962 8.605 11.714 1.00 0.00 C ATOM 88 CG PRO A 9 -17.954 7.714 11.050 1.00 0.00 C ATOM 89 CD PRO A 9 -18.888 8.622 10.299 1.00 0.00 C ATOM 0 HA PRO A 9 -16.596 10.734 11.251 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -16.016 8.090 11.879 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -17.318 8.937 12.689 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -17.460 7.016 10.374 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -18.496 7.118 11.784 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -19.250 8.157 9.382 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -19.764 8.878 10.894 1.00 0.00 H new ATOM 97 N SER A 10 -14.475 10.198 10.170 1.00 0.00 N ATOM 98 CA SER A 10 -13.259 10.069 9.376 1.00 0.00 C ATOM 99 C SER A 10 -12.136 9.445 10.200 1.00 0.00 C ATOM 100 O SER A 10 -12.032 9.677 11.404 1.00 0.00 O ATOM 101 CB SER A 10 -12.820 11.438 8.851 1.00 0.00 C ATOM 102 OG SER A 10 -12.020 11.305 7.689 1.00 0.00 O ATOM 0 H SER A 10 -14.386 10.809 10.982 1.00 0.00 H new ATOM 0 HA SER A 10 -13.474 9.415 8.531 1.00 0.00 H new ATOM 0 HB2 SER A 10 -13.698 12.043 8.625 1.00 0.00 H new ATOM 0 HB3 SER A 10 -12.260 11.965 9.624 1.00 0.00 H new ATOM 0 HG SER A 10 -11.754 12.193 7.372 1.00 0.00 H new ATOM 108 N ARG A 11 -11.298 8.652 9.541 1.00 0.00 N ATOM 109 CA ARG A 11 -10.184 7.993 10.211 1.00 0.00 C ATOM 110 C ARG A 11 -8.857 8.368 9.557 1.00 0.00 C ATOM 111 O ARG A 11 -8.830 8.962 8.478 1.00 0.00 O ATOM 112 CB ARG A 11 -10.368 6.474 10.179 1.00 0.00 C ATOM 113 CG ARG A 11 -10.293 5.880 8.782 1.00 0.00 C ATOM 114 CD ARG A 11 -11.663 5.835 8.123 1.00 0.00 C ATOM 115 NE ARG A 11 -11.948 7.053 7.369 1.00 0.00 N ATOM 116 CZ ARG A 11 -13.177 7.473 7.089 1.00 0.00 C ATOM 117 NH1 ARG A 11 -14.228 6.777 7.499 1.00 0.00 N ATOM 118 NH2 ARG A 11 -13.355 8.592 6.399 1.00 0.00 N ATOM 0 H ARG A 11 -11.369 8.450 8.544 1.00 0.00 H new ATOM 0 HA ARG A 11 -10.167 8.329 11.248 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -9.604 6.011 10.803 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -11.333 6.224 10.619 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -9.612 6.472 8.170 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -9.880 4.873 8.835 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -11.716 4.975 7.456 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -12.428 5.694 8.886 1.00 0.00 H new ATOM 0 HE ARG A 11 -11.161 7.612 7.039 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -14.094 5.917 8.031 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -15.171 7.102 7.283 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -12.548 9.130 6.083 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -14.299 8.914 6.184 1.00 0.00 H new ATOM 132 N LYS A 12 -7.758 8.018 10.216 1.00 0.00 N ATOM 133 CA LYS A 12 -6.427 8.317 9.700 1.00 0.00 C ATOM 134 C LYS A 12 -6.380 8.145 8.185 1.00 0.00 C ATOM 135 O LYS A 12 -5.637 8.842 7.495 1.00 0.00 O ATOM 136 CB LYS A 12 -5.387 7.409 10.360 1.00 0.00 C ATOM 137 CG LYS A 12 -4.805 7.981 11.641 1.00 0.00 C ATOM 138 CD LYS A 12 -3.745 7.066 12.230 1.00 0.00 C ATOM 139 CE LYS A 12 -2.367 7.369 11.661 1.00 0.00 C ATOM 140 NZ LYS A 12 -1.280 6.810 12.511 1.00 0.00 N ATOM 0 H LYS A 12 -7.763 7.526 11.110 1.00 0.00 H new ATOM 0 HA LYS A 12 -6.197 9.356 9.937 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.845 6.444 10.578 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -4.577 7.225 9.654 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.370 8.960 11.439 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -5.603 8.131 12.369 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -3.725 7.181 13.314 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -4.004 6.028 12.024 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -2.291 6.955 10.655 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -2.240 8.448 11.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -0.357 7.038 12.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -1.337 7.223 13.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -1.386 5.777 12.575 1.00 0.00 H new ATOM 154 N PHE A 13 -7.179 7.213 7.675 1.00 0.00 N ATOM 155 CA PHE A 13 -7.228 6.951 6.241 1.00 0.00 C ATOM 156 C PHE A 13 -8.666 6.982 5.732 1.00 0.00 C ATOM 157 O PHE A 13 -9.458 6.086 6.023 1.00 0.00 O ATOM 158 CB PHE A 13 -6.593 5.594 5.928 1.00 0.00 C ATOM 159 CG PHE A 13 -5.299 5.356 6.652 1.00 0.00 C ATOM 160 CD1 PHE A 13 -4.174 6.106 6.352 1.00 0.00 C ATOM 161 CD2 PHE A 13 -5.209 4.383 7.635 1.00 0.00 C ATOM 162 CE1 PHE A 13 -2.982 5.888 7.017 1.00 0.00 C ATOM 163 CE2 PHE A 13 -4.020 4.161 8.303 1.00 0.00 C ATOM 164 CZ PHE A 13 -2.905 4.915 7.994 1.00 0.00 C ATOM 0 H PHE A 13 -7.801 6.627 8.233 1.00 0.00 H new ATOM 0 HA PHE A 13 -6.665 7.734 5.733 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -7.297 4.804 6.189 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -6.418 5.523 4.855 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -4.229 6.870 5.590 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -6.078 3.792 7.882 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -2.111 6.478 6.773 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -3.963 3.399 9.066 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.975 4.744 8.515 1.00 0.00 H new ATOM 174 N ALA A 14 -8.995 8.020 4.970 1.00 0.00 N ATOM 175 CA ALA A 14 -10.337 8.168 4.419 1.00 0.00 C ATOM 176 C ALA A 14 -10.647 7.055 3.424 1.00 0.00 C ATOM 177 O ALA A 14 -9.740 6.439 2.864 1.00 0.00 O ATOM 178 CB ALA A 14 -10.487 9.529 3.756 1.00 0.00 C ATOM 0 H ALA A 14 -8.351 8.771 4.720 1.00 0.00 H new ATOM 0 HA ALA A 14 -11.051 8.095 5.239 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -11.493 9.626 3.349 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -10.316 10.314 4.493 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -9.759 9.623 2.950 1.00 0.00 H new ATOM 184 N ASP A 15 -11.933 6.802 3.209 1.00 0.00 N ATOM 185 CA ASP A 15 -12.363 5.763 2.281 1.00 0.00 C ATOM 186 C ASP A 15 -12.024 6.144 0.843 1.00 0.00 C ATOM 187 O ASP A 15 -12.458 7.182 0.346 1.00 0.00 O ATOM 188 CB ASP A 15 -13.867 5.519 2.415 1.00 0.00 C ATOM 189 CG ASP A 15 -14.691 6.653 1.837 1.00 0.00 C ATOM 190 OD1 ASP A 15 -14.507 7.806 2.281 1.00 0.00 O ATOM 191 OD2 ASP A 15 -15.521 6.388 0.942 1.00 0.00 O ATOM 0 H ASP A 15 -12.696 7.302 3.665 1.00 0.00 H new ATOM 0 HA ASP A 15 -11.830 4.845 2.531 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -14.128 4.590 1.909 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -14.119 5.390 3.468 1.00 0.00 H new ATOM 196 N GLY A 16 -11.242 5.297 0.180 1.00 0.00 N ATOM 197 CA GLY A 16 -10.856 5.563 -1.193 1.00 0.00 C ATOM 198 C GLY A 16 -9.509 6.249 -1.294 1.00 0.00 C ATOM 199 O GLY A 16 -8.964 6.403 -2.387 1.00 0.00 O ATOM 0 H GLY A 16 -10.869 4.431 0.570 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -10.825 4.625 -1.747 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -11.614 6.187 -1.666 1.00 0.00 H new ATOM 203 N GLU A 17 -8.971 6.665 -0.152 1.00 0.00 N ATOM 204 CA GLU A 17 -7.680 7.342 -0.117 1.00 0.00 C ATOM 205 C GLU A 17 -6.551 6.379 -0.477 1.00 0.00 C ATOM 206 O GLU A 17 -6.600 5.195 -0.142 1.00 0.00 O ATOM 207 CB GLU A 17 -7.430 7.943 1.267 1.00 0.00 C ATOM 208 CG GLU A 17 -6.570 9.195 1.242 1.00 0.00 C ATOM 209 CD GLU A 17 -5.755 9.369 2.509 1.00 0.00 C ATOM 210 OE1 GLU A 17 -6.332 9.227 3.608 1.00 0.00 O ATOM 211 OE2 GLU A 17 -4.543 9.648 2.402 1.00 0.00 O ATOM 0 H GLU A 17 -9.409 6.545 0.761 1.00 0.00 H new ATOM 0 HA GLU A 17 -7.700 8.144 -0.854 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.388 8.180 1.729 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -6.949 7.195 1.897 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -5.898 9.152 0.385 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -7.209 10.067 1.103 1.00 0.00 H new ATOM 218 N VAL A 18 -5.536 6.896 -1.162 1.00 0.00 N ATOM 219 CA VAL A 18 -4.395 6.084 -1.567 1.00 0.00 C ATOM 220 C VAL A 18 -3.223 6.265 -0.608 1.00 0.00 C ATOM 221 O VAL A 18 -2.641 7.346 -0.520 1.00 0.00 O ATOM 222 CB VAL A 18 -3.935 6.435 -2.994 1.00 0.00 C ATOM 223 CG1 VAL A 18 -2.780 5.540 -3.418 1.00 0.00 C ATOM 224 CG2 VAL A 18 -5.095 6.321 -3.971 1.00 0.00 C ATOM 0 H VAL A 18 -5.481 7.874 -1.448 1.00 0.00 H new ATOM 0 HA VAL A 18 -4.722 5.045 -1.544 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.585 7.467 -3.001 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.468 5.803 -4.429 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.943 5.677 -2.733 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.100 4.498 -3.396 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.752 6.573 -4.974 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -5.478 5.300 -3.964 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -5.888 7.008 -3.676 1.00 0.00 H new ATOM 234 N VAL A 19 -2.883 5.199 0.109 1.00 0.00 N ATOM 235 CA VAL A 19 -1.779 5.239 1.061 1.00 0.00 C ATOM 236 C VAL A 19 -0.864 4.032 0.893 1.00 0.00 C ATOM 237 O VAL A 19 -1.098 3.177 0.038 1.00 0.00 O ATOM 238 CB VAL A 19 -2.291 5.283 2.513 1.00 0.00 C ATOM 239 CG1 VAL A 19 -3.172 6.503 2.733 1.00 0.00 C ATOM 240 CG2 VAL A 19 -3.044 4.004 2.850 1.00 0.00 C ATOM 0 H VAL A 19 -3.356 4.297 0.049 1.00 0.00 H new ATOM 0 HA VAL A 19 -1.216 6.149 0.854 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.433 5.360 3.180 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.524 6.516 3.765 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.597 7.408 2.534 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -4.027 6.461 2.058 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.399 4.051 3.879 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -3.895 3.895 2.177 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.378 3.149 2.735 1.00 0.00 H new ATOM 250 N ARG A 20 0.179 3.968 1.714 1.00 0.00 N ATOM 251 CA ARG A 20 1.131 2.865 1.655 1.00 0.00 C ATOM 252 C ARG A 20 0.806 1.810 2.709 1.00 0.00 C ATOM 253 O ARG A 20 0.713 2.113 3.898 1.00 0.00 O ATOM 254 CB ARG A 20 2.556 3.382 1.859 1.00 0.00 C ATOM 255 CG ARG A 20 2.895 4.588 0.999 1.00 0.00 C ATOM 256 CD ARG A 20 3.477 4.170 -0.343 1.00 0.00 C ATOM 257 NE ARG A 20 4.929 4.019 -0.286 1.00 0.00 N ATOM 258 CZ ARG A 20 5.771 5.041 -0.186 1.00 0.00 C ATOM 259 NH1 ARG A 20 5.308 6.283 -0.130 1.00 0.00 N ATOM 260 NH2 ARG A 20 7.079 4.823 -0.140 1.00 0.00 N ATOM 0 H ARG A 20 0.386 4.667 2.428 1.00 0.00 H new ATOM 0 HA ARG A 20 1.056 2.405 0.670 1.00 0.00 H new ATOM 0 HB2 ARG A 20 2.691 3.645 2.908 1.00 0.00 H new ATOM 0 HB3 ARG A 20 3.260 2.579 1.638 1.00 0.00 H new ATOM 0 HG2 ARG A 20 1.997 5.185 0.837 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.609 5.222 1.525 1.00 0.00 H new ATOM 0 HD2 ARG A 20 3.026 3.228 -0.656 1.00 0.00 H new ATOM 0 HD3 ARG A 20 3.219 4.913 -1.097 1.00 0.00 H new ATOM 0 HE ARG A 20 5.317 3.077 -0.325 1.00 0.00 H new ATOM 0 HH11 ARG A 20 4.303 6.455 -0.164 1.00 0.00 H new ATOM 0 HH12 ARG A 20 5.957 7.066 -0.053 1.00 0.00 H new ATOM 0 HH21 ARG A 20 7.439 3.869 -0.181 1.00 0.00 H new ATOM 0 HH22 ARG A 20 7.725 5.609 -0.063 1.00 0.00 H new ATOM 274 N GLY A 21 0.633 0.569 2.263 1.00 0.00 N ATOM 275 CA GLY A 21 0.319 -0.512 3.179 1.00 0.00 C ATOM 276 C GLY A 21 1.349 -1.623 3.138 1.00 0.00 C ATOM 277 O GLY A 21 1.602 -2.205 2.083 1.00 0.00 O ATOM 0 H GLY A 21 0.705 0.293 1.284 1.00 0.00 H new ATOM 0 HA2 GLY A 21 0.254 -0.118 4.193 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.661 -0.920 2.933 1.00 0.00 H new ATOM 281 N ARG A 22 1.945 -1.918 4.289 1.00 0.00 N ATOM 282 CA ARG A 22 2.955 -2.966 4.380 1.00 0.00 C ATOM 283 C ARG A 22 2.356 -4.329 4.044 1.00 0.00 C ATOM 284 O ARG A 22 1.537 -4.859 4.794 1.00 0.00 O ATOM 285 CB ARG A 22 3.564 -2.996 5.782 1.00 0.00 C ATOM 286 CG ARG A 22 4.532 -4.147 6.001 1.00 0.00 C ATOM 287 CD ARG A 22 5.073 -4.158 7.423 1.00 0.00 C ATOM 288 NE ARG A 22 5.456 -5.500 7.853 1.00 0.00 N ATOM 289 CZ ARG A 22 4.589 -6.491 8.027 1.00 0.00 C ATOM 290 NH1 ARG A 22 3.296 -6.291 7.810 1.00 0.00 N ATOM 291 NH2 ARG A 22 5.014 -7.685 8.420 1.00 0.00 N ATOM 0 H ARG A 22 1.746 -1.446 5.171 1.00 0.00 H new ATOM 0 HA ARG A 22 3.739 -2.745 3.656 1.00 0.00 H new ATOM 0 HB2 ARG A 22 4.084 -2.055 5.963 1.00 0.00 H new ATOM 0 HB3 ARG A 22 2.761 -3.063 6.516 1.00 0.00 H new ATOM 0 HG2 ARG A 22 4.028 -5.091 5.795 1.00 0.00 H new ATOM 0 HG3 ARG A 22 5.360 -4.067 5.296 1.00 0.00 H new ATOM 0 HD2 ARG A 22 5.937 -3.497 7.487 1.00 0.00 H new ATOM 0 HD3 ARG A 22 4.317 -3.762 8.101 1.00 0.00 H new ATOM 0 HE ARG A 22 6.443 -5.686 8.029 1.00 0.00 H new ATOM 0 HH11 ARG A 22 2.965 -5.374 7.509 1.00 0.00 H new ATOM 0 HH12 ARG A 22 2.632 -7.054 7.944 1.00 0.00 H new ATOM 0 HH21 ARG A 22 6.008 -7.843 8.589 1.00 0.00 H new ATOM 0 HH22 ARG A 22 4.347 -8.445 8.553 1.00 0.00 H new ATOM 305 N TRP A 23 2.771 -4.889 2.914 1.00 0.00 N ATOM 306 CA TRP A 23 2.275 -6.189 2.479 1.00 0.00 C ATOM 307 C TRP A 23 2.375 -7.214 3.603 1.00 0.00 C ATOM 308 O TRP A 23 3.342 -7.242 4.365 1.00 0.00 O ATOM 309 CB TRP A 23 3.059 -6.675 1.258 1.00 0.00 C ATOM 310 CG TRP A 23 2.616 -8.018 0.763 1.00 0.00 C ATOM 311 CD1 TRP A 23 3.033 -9.237 1.216 1.00 0.00 C ATOM 312 CD2 TRP A 23 1.670 -8.278 -0.280 1.00 0.00 C ATOM 313 NE1 TRP A 23 2.404 -10.239 0.516 1.00 0.00 N ATOM 314 CE2 TRP A 23 1.563 -9.676 -0.407 1.00 0.00 C ATOM 315 CE3 TRP A 23 0.903 -7.465 -1.119 1.00 0.00 C ATOM 316 CZ2 TRP A 23 0.720 -10.276 -1.338 1.00 0.00 C ATOM 317 CZ3 TRP A 23 0.067 -8.062 -2.043 1.00 0.00 C ATOM 318 CH2 TRP A 23 -0.020 -9.456 -2.147 1.00 0.00 C ATOM 0 H TRP A 23 3.450 -4.463 2.282 1.00 0.00 H new ATOM 0 HA TRP A 23 1.225 -6.077 2.207 1.00 0.00 H new ATOM 0 HB2 TRP A 23 2.953 -5.947 0.454 1.00 0.00 H new ATOM 0 HB3 TRP A 23 4.119 -6.720 1.510 1.00 0.00 H new ATOM 0 HD1 TRP A 23 3.751 -9.391 2.008 1.00 0.00 H new ATOM 0 HE1 TRP A 23 2.541 -11.239 0.660 1.00 0.00 H new ATOM 0 HE3 TRP A 23 0.963 -6.389 -1.046 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 0.652 -11.351 -1.419 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -0.530 -7.443 -2.696 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -0.683 -9.892 -2.879 1.00 0.00 H new ATOM 329 N PRO A 24 1.354 -8.076 3.712 1.00 0.00 N ATOM 330 CA PRO A 24 1.305 -9.119 4.741 1.00 0.00 C ATOM 331 C PRO A 24 2.335 -10.218 4.503 1.00 0.00 C ATOM 332 O PRO A 24 2.014 -11.277 3.966 1.00 0.00 O ATOM 333 CB PRO A 24 -0.114 -9.679 4.611 1.00 0.00 C ATOM 334 CG PRO A 24 -0.506 -9.394 3.203 1.00 0.00 C ATOM 335 CD PRO A 24 0.168 -8.100 2.839 1.00 0.00 C ATOM 0 HA PRO A 24 1.534 -8.725 5.731 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -0.138 -10.749 4.820 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -0.794 -9.201 5.316 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -0.190 -10.199 2.539 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -1.589 -9.310 3.109 1.00 0.00 H new ATOM 0 HD2 PRO A 24 0.444 -8.073 1.785 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -0.482 -7.244 3.020 1.00 0.00 H new ATOM 343 N GLY A 25 3.575 -9.958 4.907 1.00 0.00 N ATOM 344 CA GLY A 25 4.633 -10.935 4.729 1.00 0.00 C ATOM 345 C GLY A 25 6.008 -10.298 4.688 1.00 0.00 C ATOM 346 O GLY A 25 6.981 -10.874 5.175 1.00 0.00 O ATOM 0 H GLY A 25 3.865 -9.088 5.354 1.00 0.00 H new ATOM 0 HA2 GLY A 25 4.595 -11.659 5.543 1.00 0.00 H new ATOM 0 HA3 GLY A 25 4.463 -11.486 3.804 1.00 0.00 H new ATOM 350 N SER A 26 6.091 -9.108 4.103 1.00 0.00 N ATOM 351 CA SER A 26 7.358 -8.395 3.995 1.00 0.00 C ATOM 352 C SER A 26 7.271 -7.027 4.664 1.00 0.00 C ATOM 353 O SER A 26 6.185 -6.471 4.827 1.00 0.00 O ATOM 354 CB SER A 26 7.752 -8.232 2.525 1.00 0.00 C ATOM 355 OG SER A 26 9.145 -8.010 2.393 1.00 0.00 O ATOM 0 H SER A 26 5.295 -8.617 3.696 1.00 0.00 H new ATOM 0 HA SER A 26 8.121 -8.982 4.506 1.00 0.00 H new ATOM 0 HB2 SER A 26 7.468 -9.125 1.968 1.00 0.00 H new ATOM 0 HB3 SER A 26 7.204 -7.397 2.089 1.00 0.00 H new ATOM 0 HG SER A 26 9.372 -7.911 1.445 1.00 0.00 H new ATOM 361 N SER A 27 8.424 -6.490 5.050 1.00 0.00 N ATOM 362 CA SER A 27 8.479 -5.188 5.706 1.00 0.00 C ATOM 363 C SER A 27 8.529 -4.063 4.676 1.00 0.00 C ATOM 364 O SER A 27 9.079 -2.992 4.936 1.00 0.00 O ATOM 365 CB SER A 27 9.699 -5.108 6.625 1.00 0.00 C ATOM 366 OG SER A 27 9.553 -4.069 7.578 1.00 0.00 O ATOM 0 H SER A 27 9.332 -6.936 4.920 1.00 0.00 H new ATOM 0 HA SER A 27 7.575 -5.071 6.303 1.00 0.00 H new ATOM 0 HB2 SER A 27 9.834 -6.060 7.138 1.00 0.00 H new ATOM 0 HB3 SER A 27 10.596 -4.936 6.030 1.00 0.00 H new ATOM 0 HG SER A 27 9.344 -3.230 7.117 1.00 0.00 H new ATOM 372 N LEU A 28 7.950 -4.314 3.507 1.00 0.00 N ATOM 373 CA LEU A 28 7.927 -3.323 2.437 1.00 0.00 C ATOM 374 C LEU A 28 6.527 -2.745 2.259 1.00 0.00 C ATOM 375 O LEU A 28 5.530 -3.457 2.383 1.00 0.00 O ATOM 376 CB LEU A 28 8.403 -3.949 1.125 1.00 0.00 C ATOM 377 CG LEU A 28 9.902 -4.229 1.019 1.00 0.00 C ATOM 378 CD1 LEU A 28 10.181 -5.233 -0.089 1.00 0.00 C ATOM 379 CD2 LEU A 28 10.670 -2.938 0.778 1.00 0.00 C ATOM 0 H LEU A 28 7.490 -5.195 3.276 1.00 0.00 H new ATOM 0 HA LEU A 28 8.602 -2.513 2.712 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.867 -4.887 0.978 1.00 0.00 H new ATOM 0 HB3 LEU A 28 8.119 -3.288 0.306 1.00 0.00 H new ATOM 0 HG LEU A 28 10.239 -4.658 1.963 1.00 0.00 H new ATOM 0 HD11 LEU A 28 11.253 -5.420 -0.149 1.00 0.00 H new ATOM 0 HD12 LEU A 28 9.662 -6.167 0.127 1.00 0.00 H new ATOM 0 HD13 LEU A 28 9.828 -4.833 -1.040 1.00 0.00 H new ATOM 0 HD21 LEU A 28 11.735 -3.157 0.705 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.329 -2.480 -0.151 1.00 0.00 H new ATOM 0 HD23 LEU A 28 10.496 -2.251 1.606 1.00 0.00 H new ATOM 391 N TYR A 29 6.459 -1.451 1.967 1.00 0.00 N ATOM 392 CA TYR A 29 5.181 -0.777 1.773 1.00 0.00 C ATOM 393 C TYR A 29 4.935 -0.492 0.294 1.00 0.00 C ATOM 394 O TYR A 29 5.847 -0.102 -0.435 1.00 0.00 O ATOM 395 CB TYR A 29 5.143 0.529 2.569 1.00 0.00 C ATOM 396 CG TYR A 29 5.391 0.343 4.048 1.00 0.00 C ATOM 397 CD1 TYR A 29 6.666 0.077 4.531 1.00 0.00 C ATOM 398 CD2 TYR A 29 4.350 0.436 4.964 1.00 0.00 C ATOM 399 CE1 TYR A 29 6.898 -0.094 5.882 1.00 0.00 C ATOM 400 CE2 TYR A 29 4.573 0.269 6.318 1.00 0.00 C ATOM 401 CZ TYR A 29 5.848 0.003 6.771 1.00 0.00 C ATOM 402 OH TYR A 29 6.074 -0.165 8.118 1.00 0.00 O ATOM 0 H TYR A 29 7.274 -0.848 1.859 1.00 0.00 H new ATOM 0 HA TYR A 29 4.392 -1.437 2.134 1.00 0.00 H new ATOM 0 HB2 TYR A 29 5.891 1.212 2.167 1.00 0.00 H new ATOM 0 HB3 TYR A 29 4.171 1.002 2.429 1.00 0.00 H new ATOM 0 HD1 TYR A 29 7.491 0.003 3.838 1.00 0.00 H new ATOM 0 HD2 TYR A 29 3.350 0.642 4.612 1.00 0.00 H new ATOM 0 HE1 TYR A 29 7.895 -0.302 6.240 1.00 0.00 H new ATOM 0 HE2 TYR A 29 3.753 0.346 7.017 1.00 0.00 H new ATOM 0 HH TYR A 29 5.230 -0.064 8.606 1.00 0.00 H new ATOM 412 N TYR A 30 3.695 -0.690 -0.141 1.00 0.00 N ATOM 413 CA TYR A 30 3.327 -0.456 -1.532 1.00 0.00 C ATOM 414 C TYR A 30 2.106 0.452 -1.628 1.00 0.00 C ATOM 415 O TYR A 30 1.382 0.641 -0.651 1.00 0.00 O ATOM 416 CB TYR A 30 3.045 -1.785 -2.237 1.00 0.00 C ATOM 417 CG TYR A 30 4.282 -2.623 -2.466 1.00 0.00 C ATOM 418 CD1 TYR A 30 4.825 -3.390 -1.442 1.00 0.00 C ATOM 419 CD2 TYR A 30 4.907 -2.650 -3.707 1.00 0.00 C ATOM 420 CE1 TYR A 30 5.956 -4.157 -1.647 1.00 0.00 C ATOM 421 CE2 TYR A 30 6.037 -3.415 -3.921 1.00 0.00 C ATOM 422 CZ TYR A 30 6.558 -4.166 -2.888 1.00 0.00 C ATOM 423 OH TYR A 30 7.683 -4.930 -3.097 1.00 0.00 O ATOM 0 H TYR A 30 2.928 -1.012 0.450 1.00 0.00 H new ATOM 0 HA TYR A 30 4.164 0.039 -2.024 1.00 0.00 H new ATOM 0 HB2 TYR A 30 2.333 -2.358 -1.643 1.00 0.00 H new ATOM 0 HB3 TYR A 30 2.570 -1.584 -3.197 1.00 0.00 H new ATOM 0 HD1 TYR A 30 4.355 -3.386 -0.470 1.00 0.00 H new ATOM 0 HD2 TYR A 30 4.502 -2.063 -4.518 1.00 0.00 H new ATOM 0 HE1 TYR A 30 6.366 -4.746 -0.840 1.00 0.00 H new ATOM 0 HE2 TYR A 30 6.510 -3.425 -4.892 1.00 0.00 H new ATOM 0 HH TYR A 30 7.982 -4.826 -4.025 1.00 0.00 H new ATOM 433 N GLU A 31 1.884 1.012 -2.813 1.00 0.00 N ATOM 434 CA GLU A 31 0.750 1.902 -3.036 1.00 0.00 C ATOM 435 C GLU A 31 -0.559 1.119 -3.059 1.00 0.00 C ATOM 436 O GLU A 31 -0.804 0.322 -3.965 1.00 0.00 O ATOM 437 CB GLU A 31 0.924 2.664 -4.352 1.00 0.00 C ATOM 438 CG GLU A 31 -0.182 3.671 -4.622 1.00 0.00 C ATOM 439 CD GLU A 31 0.108 4.547 -5.825 1.00 0.00 C ATOM 440 OE1 GLU A 31 1.236 5.075 -5.917 1.00 0.00 O ATOM 441 OE2 GLU A 31 -0.794 4.705 -6.674 1.00 0.00 O ATOM 0 H GLU A 31 2.473 0.866 -3.632 1.00 0.00 H new ATOM 0 HA GLU A 31 0.712 2.615 -2.213 1.00 0.00 H new ATOM 0 HB2 GLU A 31 1.882 3.184 -4.337 1.00 0.00 H new ATOM 0 HB3 GLU A 31 0.962 1.949 -5.174 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.121 3.140 -4.782 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.317 4.301 -3.743 1.00 0.00 H new ATOM 448 N VAL A 32 -1.398 1.351 -2.054 1.00 0.00 N ATOM 449 CA VAL A 32 -2.683 0.669 -1.958 1.00 0.00 C ATOM 450 C VAL A 32 -3.809 1.655 -1.669 1.00 0.00 C ATOM 451 O VAL A 32 -3.569 2.760 -1.183 1.00 0.00 O ATOM 452 CB VAL A 32 -2.665 -0.409 -0.857 1.00 0.00 C ATOM 453 CG1 VAL A 32 -1.637 -1.483 -1.178 1.00 0.00 C ATOM 454 CG2 VAL A 32 -2.386 0.221 0.499 1.00 0.00 C ATOM 0 H VAL A 32 -1.211 2.006 -1.295 1.00 0.00 H new ATOM 0 HA VAL A 32 -2.861 0.192 -2.922 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.647 -0.881 -0.818 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.639 -2.236 -0.389 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -1.887 -1.953 -2.129 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.648 -1.031 -1.246 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.377 -0.554 1.265 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -1.417 0.720 0.476 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -3.164 0.949 0.729 1.00 0.00 H new ATOM 464 N GLU A 33 -5.038 1.248 -1.972 1.00 0.00 N ATOM 465 CA GLU A 33 -6.201 2.097 -1.746 1.00 0.00 C ATOM 466 C GLU A 33 -7.002 1.612 -0.541 1.00 0.00 C ATOM 467 O GLU A 33 -6.968 0.431 -0.194 1.00 0.00 O ATOM 468 CB GLU A 33 -7.092 2.122 -2.989 1.00 0.00 C ATOM 469 CG GLU A 33 -8.553 2.408 -2.685 1.00 0.00 C ATOM 470 CD GLU A 33 -9.393 2.550 -3.939 1.00 0.00 C ATOM 471 OE1 GLU A 33 -8.859 3.034 -4.959 1.00 0.00 O ATOM 472 OE2 GLU A 33 -10.584 2.178 -3.902 1.00 0.00 O ATOM 0 H GLU A 33 -5.253 0.336 -2.374 1.00 0.00 H new ATOM 0 HA GLU A 33 -5.847 3.108 -1.542 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -6.718 2.879 -3.678 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -7.017 1.162 -3.499 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -8.957 1.603 -2.071 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.626 3.324 -2.098 1.00 0.00 H new ATOM 479 N ILE A 34 -7.722 2.532 0.092 1.00 0.00 N ATOM 480 CA ILE A 34 -8.533 2.198 1.257 1.00 0.00 C ATOM 481 C ILE A 34 -9.963 1.858 0.853 1.00 0.00 C ATOM 482 O ILE A 34 -10.700 2.712 0.358 1.00 0.00 O ATOM 483 CB ILE A 34 -8.560 3.355 2.274 1.00 0.00 C ATOM 484 CG1 ILE A 34 -7.135 3.754 2.664 1.00 0.00 C ATOM 485 CG2 ILE A 34 -9.361 2.959 3.505 1.00 0.00 C ATOM 486 CD1 ILE A 34 -6.423 2.712 3.498 1.00 0.00 C ATOM 0 H ILE A 34 -7.761 3.514 -0.182 1.00 0.00 H new ATOM 0 HA ILE A 34 -8.073 1.326 1.722 1.00 0.00 H new ATOM 0 HB ILE A 34 -9.044 4.215 1.811 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -6.558 3.940 1.758 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -7.168 4.692 3.219 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -9.371 3.787 4.214 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -10.383 2.720 3.212 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -8.903 2.087 3.972 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -5.419 3.062 3.738 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -6.978 2.543 4.421 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.358 1.779 2.938 1.00 0.00 H new ATOM 498 N LEU A 35 -10.350 0.605 1.067 1.00 0.00 N ATOM 499 CA LEU A 35 -11.694 0.151 0.727 1.00 0.00 C ATOM 500 C LEU A 35 -12.647 0.342 1.902 1.00 0.00 C ATOM 501 O LEU A 35 -13.736 0.894 1.748 1.00 0.00 O ATOM 502 CB LEU A 35 -11.666 -1.321 0.312 1.00 0.00 C ATOM 503 CG LEU A 35 -10.564 -1.720 -0.670 1.00 0.00 C ATOM 504 CD1 LEU A 35 -10.459 -3.235 -0.767 1.00 0.00 C ATOM 505 CD2 LEU A 35 -10.823 -1.112 -2.040 1.00 0.00 C ATOM 0 H LEU A 35 -9.752 -0.114 1.474 1.00 0.00 H new ATOM 0 HA LEU A 35 -12.053 0.751 -0.109 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -11.562 -1.929 1.211 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -12.629 -1.571 -0.133 1.00 0.00 H new ATOM 0 HG LEU A 35 -9.615 -1.333 -0.298 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -9.670 -3.501 -1.470 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -10.224 -3.647 0.214 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -11.408 -3.644 -1.115 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -10.028 -1.407 -2.725 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -11.781 -1.467 -2.421 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -10.846 -0.025 -1.957 1.00 0.00 H new ATOM 517 N SER A 36 -12.229 -0.118 3.078 1.00 0.00 N ATOM 518 CA SER A 36 -13.046 0.001 4.279 1.00 0.00 C ATOM 519 C SER A 36 -12.179 -0.054 5.533 1.00 0.00 C ATOM 520 O SER A 36 -10.967 -0.262 5.456 1.00 0.00 O ATOM 521 CB SER A 36 -14.094 -1.113 4.321 1.00 0.00 C ATOM 522 OG SER A 36 -15.239 -0.709 5.052 1.00 0.00 O ATOM 0 H SER A 36 -11.329 -0.576 3.224 1.00 0.00 H new ATOM 0 HA SER A 36 -13.552 0.966 4.250 1.00 0.00 H new ATOM 0 HB2 SER A 36 -14.384 -1.383 3.305 1.00 0.00 H new ATOM 0 HB3 SER A 36 -13.663 -2.005 4.777 1.00 0.00 H new ATOM 0 HG SER A 36 -15.894 -1.438 5.063 1.00 0.00 H new ATOM 528 N HIS A 37 -12.808 0.133 6.689 1.00 0.00 N ATOM 529 CA HIS A 37 -12.095 0.105 7.961 1.00 0.00 C ATOM 530 C HIS A 37 -12.916 -0.611 9.029 1.00 0.00 C ATOM 531 O HIS A 37 -14.052 -0.229 9.312 1.00 0.00 O ATOM 532 CB HIS A 37 -11.770 1.527 8.420 1.00 0.00 C ATOM 533 CG HIS A 37 -11.583 1.650 9.901 1.00 0.00 C ATOM 534 ND1 HIS A 37 -10.937 0.698 10.660 1.00 0.00 N ATOM 535 CD2 HIS A 37 -11.960 2.624 10.763 1.00 0.00 C ATOM 536 CE1 HIS A 37 -10.927 1.079 11.925 1.00 0.00 C ATOM 537 NE2 HIS A 37 -11.541 2.245 12.014 1.00 0.00 N ATOM 0 H HIS A 37 -13.810 0.306 6.771 1.00 0.00 H new ATOM 0 HA HIS A 37 -11.164 -0.443 7.815 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -10.863 1.864 7.918 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -12.573 2.194 8.107 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -12.491 3.530 10.513 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -10.491 0.530 12.747 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -11.681 2.777 12.873 1.00 0.00 H new ATOM 546 N ASP A 38 -12.336 -1.651 9.617 1.00 0.00 N ATOM 547 CA ASP A 38 -13.014 -2.421 10.653 1.00 0.00 C ATOM 548 C ASP A 38 -12.428 -2.116 12.028 1.00 0.00 C ATOM 549 O ASP A 38 -11.211 -2.138 12.214 1.00 0.00 O ATOM 550 CB ASP A 38 -12.905 -3.918 10.360 1.00 0.00 C ATOM 551 CG ASP A 38 -14.045 -4.423 9.497 1.00 0.00 C ATOM 552 OD1 ASP A 38 -15.151 -4.633 10.037 1.00 0.00 O ATOM 553 OD2 ASP A 38 -13.831 -4.608 8.281 1.00 0.00 O ATOM 0 H ASP A 38 -11.397 -1.981 9.394 1.00 0.00 H new ATOM 0 HA ASP A 38 -14.066 -2.134 10.654 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -11.958 -4.119 9.860 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -12.893 -4.469 11.300 1.00 0.00 H new ATOM 558 N SER A 39 -13.301 -1.831 12.988 1.00 0.00 N ATOM 559 CA SER A 39 -12.870 -1.516 14.345 1.00 0.00 C ATOM 560 C SER A 39 -12.692 -2.788 15.167 1.00 0.00 C ATOM 561 O SER A 39 -11.839 -2.856 16.053 1.00 0.00 O ATOM 562 CB SER A 39 -13.886 -0.595 15.024 1.00 0.00 C ATOM 563 OG SER A 39 -13.425 -0.180 16.299 1.00 0.00 O ATOM 0 H SER A 39 -14.312 -1.812 12.852 1.00 0.00 H new ATOM 0 HA SER A 39 -11.909 -1.005 14.285 1.00 0.00 H new ATOM 0 HB2 SER A 39 -14.066 0.278 14.397 1.00 0.00 H new ATOM 0 HB3 SER A 39 -14.839 -1.114 15.129 1.00 0.00 H new ATOM 0 HG SER A 39 -14.091 0.409 16.712 1.00 0.00 H new ATOM 569 N THR A 40 -13.503 -3.798 14.867 1.00 0.00 N ATOM 570 CA THR A 40 -13.437 -5.069 15.578 1.00 0.00 C ATOM 571 C THR A 40 -11.993 -5.459 15.874 1.00 0.00 C ATOM 572 O THR A 40 -11.652 -5.803 17.005 1.00 0.00 O ATOM 573 CB THR A 40 -14.107 -6.198 14.773 1.00 0.00 C ATOM 574 OG1 THR A 40 -15.457 -5.841 14.458 1.00 0.00 O ATOM 575 CG2 THR A 40 -14.092 -7.503 15.555 1.00 0.00 C ATOM 0 H THR A 40 -14.213 -3.760 14.136 1.00 0.00 H new ATOM 0 HA THR A 40 -13.974 -4.934 16.517 1.00 0.00 H new ATOM 0 HB THR A 40 -13.544 -6.339 13.850 1.00 0.00 H new ATOM 0 HG1 THR A 40 -15.875 -6.564 13.945 1.00 0.00 H new ATOM 0 HG21 THR A 40 -14.571 -8.286 14.966 1.00 0.00 H new ATOM 0 HG22 THR A 40 -13.062 -7.788 15.768 1.00 0.00 H new ATOM 0 HG23 THR A 40 -14.633 -7.372 16.492 1.00 0.00 H new ATOM 583 N SER A 41 -11.148 -5.401 14.850 1.00 0.00 N ATOM 584 CA SER A 41 -9.740 -5.752 15.000 1.00 0.00 C ATOM 585 C SER A 41 -8.843 -4.645 14.453 1.00 0.00 C ATOM 586 O SER A 41 -7.666 -4.868 14.173 1.00 0.00 O ATOM 587 CB SER A 41 -9.441 -7.068 14.280 1.00 0.00 C ATOM 588 OG SER A 41 -8.344 -7.738 14.877 1.00 0.00 O ATOM 0 H SER A 41 -11.413 -5.114 13.908 1.00 0.00 H new ATOM 0 HA SER A 41 -9.532 -5.872 16.063 1.00 0.00 H new ATOM 0 HB2 SER A 41 -10.322 -7.710 14.308 1.00 0.00 H new ATOM 0 HB3 SER A 41 -9.223 -6.871 13.230 1.00 0.00 H new ATOM 0 HG SER A 41 -7.567 -7.141 14.895 1.00 0.00 H new ATOM 594 N GLN A 42 -9.411 -3.452 14.305 1.00 0.00 N ATOM 595 CA GLN A 42 -8.663 -2.310 13.791 1.00 0.00 C ATOM 596 C GLN A 42 -7.924 -2.676 12.508 1.00 0.00 C ATOM 597 O GLN A 42 -6.813 -2.203 12.263 1.00 0.00 O ATOM 598 CB GLN A 42 -7.670 -1.810 14.841 1.00 0.00 C ATOM 599 CG GLN A 42 -8.323 -1.041 15.979 1.00 0.00 C ATOM 600 CD GLN A 42 -8.526 0.425 15.651 1.00 0.00 C ATOM 601 OE1 GLN A 42 -7.699 1.044 14.982 1.00 0.00 O ATOM 602 NE2 GLN A 42 -9.632 0.989 16.122 1.00 0.00 N ATOM 0 H GLN A 42 -10.385 -3.251 14.533 1.00 0.00 H new ATOM 0 HA GLN A 42 -9.373 -1.514 13.565 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -7.129 -2.662 15.253 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -6.933 -1.169 14.356 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -9.286 -1.494 16.213 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -7.705 -1.127 16.873 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -10.291 0.438 16.672 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -9.823 1.973 15.933 1.00 0.00 H new ATOM 611 N LEU A 43 -8.546 -3.520 11.693 1.00 0.00 N ATOM 612 CA LEU A 43 -7.947 -3.950 10.434 1.00 0.00 C ATOM 613 C LEU A 43 -8.540 -3.180 9.258 1.00 0.00 C ATOM 614 O LEU A 43 -9.757 -3.024 9.155 1.00 0.00 O ATOM 615 CB LEU A 43 -8.158 -5.451 10.233 1.00 0.00 C ATOM 616 CG LEU A 43 -7.284 -6.372 11.086 1.00 0.00 C ATOM 617 CD1 LEU A 43 -7.778 -7.807 11.000 1.00 0.00 C ATOM 618 CD2 LEU A 43 -5.828 -6.280 10.650 1.00 0.00 C ATOM 0 H LEU A 43 -9.465 -3.920 11.881 1.00 0.00 H new ATOM 0 HA LEU A 43 -6.878 -3.742 10.479 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -9.203 -5.681 10.439 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -7.981 -5.685 9.183 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.353 -6.047 12.124 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -7.144 -8.447 11.613 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -8.805 -7.860 11.361 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -7.740 -8.144 9.964 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -5.221 -6.942 11.268 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -5.742 -6.578 9.605 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -5.478 -5.254 10.765 1.00 0.00 H new ATOM 630 N TYR A 44 -7.672 -2.702 8.373 1.00 0.00 N ATOM 631 CA TYR A 44 -8.109 -1.948 7.204 1.00 0.00 C ATOM 632 C TYR A 44 -8.073 -2.818 5.951 1.00 0.00 C ATOM 633 O TYR A 44 -7.098 -3.527 5.699 1.00 0.00 O ATOM 634 CB TYR A 44 -7.227 -0.714 7.008 1.00 0.00 C ATOM 635 CG TYR A 44 -7.597 0.444 7.907 1.00 0.00 C ATOM 636 CD1 TYR A 44 -7.514 0.329 9.290 1.00 0.00 C ATOM 637 CD2 TYR A 44 -8.030 1.652 7.375 1.00 0.00 C ATOM 638 CE1 TYR A 44 -7.852 1.384 10.115 1.00 0.00 C ATOM 639 CE2 TYR A 44 -8.369 2.712 8.193 1.00 0.00 C ATOM 640 CZ TYR A 44 -8.278 2.573 9.562 1.00 0.00 C ATOM 641 OH TYR A 44 -8.615 3.627 10.381 1.00 0.00 O ATOM 0 H TYR A 44 -6.662 -2.823 8.443 1.00 0.00 H new ATOM 0 HA TYR A 44 -9.137 -1.628 7.373 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -6.188 -0.988 7.191 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -7.293 -0.392 5.969 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -7.180 -0.601 9.727 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -8.103 1.764 6.303 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -7.783 1.278 11.188 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -8.703 3.644 7.763 1.00 0.00 H new ATOM 0 HH TYR A 44 -8.192 4.447 10.050 1.00 0.00 H new ATOM 651 N THR A 45 -9.144 -2.757 5.166 1.00 0.00 N ATOM 652 CA THR A 45 -9.238 -3.537 3.938 1.00 0.00 C ATOM 653 C THR A 45 -8.794 -2.719 2.731 1.00 0.00 C ATOM 654 O THR A 45 -9.555 -1.905 2.207 1.00 0.00 O ATOM 655 CB THR A 45 -10.673 -4.043 3.702 1.00 0.00 C ATOM 656 OG1 THR A 45 -11.146 -4.737 4.862 1.00 0.00 O ATOM 657 CG2 THR A 45 -10.729 -4.967 2.495 1.00 0.00 C ATOM 0 H THR A 45 -9.959 -2.175 5.359 1.00 0.00 H new ATOM 0 HA THR A 45 -8.574 -4.393 4.056 1.00 0.00 H new ATOM 0 HB THR A 45 -11.311 -3.180 3.510 1.00 0.00 H new ATOM 0 HG1 THR A 45 -12.060 -5.054 4.704 1.00 0.00 H new ATOM 0 HG21 THR A 45 -11.752 -5.312 2.348 1.00 0.00 H new ATOM 0 HG22 THR A 45 -10.397 -4.427 1.608 1.00 0.00 H new ATOM 0 HG23 THR A 45 -10.078 -5.825 2.663 1.00 0.00 H new ATOM 665 N VAL A 46 -7.559 -2.940 2.293 1.00 0.00 N ATOM 666 CA VAL A 46 -7.014 -2.224 1.146 1.00 0.00 C ATOM 667 C VAL A 46 -6.941 -3.127 -0.081 1.00 0.00 C ATOM 668 O VAL A 46 -7.000 -4.352 0.031 1.00 0.00 O ATOM 669 CB VAL A 46 -5.610 -1.668 1.446 1.00 0.00 C ATOM 670 CG1 VAL A 46 -5.670 -0.643 2.567 1.00 0.00 C ATOM 671 CG2 VAL A 46 -4.654 -2.798 1.796 1.00 0.00 C ATOM 0 H VAL A 46 -6.916 -3.610 2.716 1.00 0.00 H new ATOM 0 HA VAL A 46 -7.689 -1.393 0.942 1.00 0.00 H new ATOM 0 HB VAL A 46 -5.236 -1.170 0.551 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.668 -0.261 2.765 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -6.321 0.180 2.273 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.064 -1.112 3.468 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.666 -2.387 2.005 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.021 -3.326 2.676 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.588 -3.492 0.958 1.00 0.00 H new ATOM 681 N LYS A 47 -6.810 -2.514 -1.252 1.00 0.00 N ATOM 682 CA LYS A 47 -6.726 -3.261 -2.502 1.00 0.00 C ATOM 683 C LYS A 47 -5.473 -2.876 -3.282 1.00 0.00 C ATOM 684 O LYS A 47 -5.181 -1.694 -3.462 1.00 0.00 O ATOM 685 CB LYS A 47 -7.970 -3.008 -3.356 1.00 0.00 C ATOM 686 CG LYS A 47 -8.267 -4.123 -4.344 1.00 0.00 C ATOM 687 CD LYS A 47 -9.716 -4.093 -4.799 1.00 0.00 C ATOM 688 CE LYS A 47 -9.903 -4.835 -6.113 1.00 0.00 C ATOM 689 NZ LYS A 47 -11.138 -4.402 -6.824 1.00 0.00 N ATOM 0 H LYS A 47 -6.760 -1.501 -1.362 1.00 0.00 H new ATOM 0 HA LYS A 47 -6.670 -4.322 -2.259 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -8.830 -2.877 -2.700 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -7.841 -2.074 -3.903 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -7.611 -4.028 -5.209 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -8.049 -5.086 -3.883 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -10.348 -4.542 -4.033 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -10.041 -3.059 -4.914 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -9.037 -4.665 -6.753 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -9.951 -5.907 -5.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -11.229 -4.931 -7.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -11.967 -4.588 -6.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -11.081 -3.384 -7.030 1.00 0.00 H new ATOM 703 N TYR A 48 -4.738 -3.881 -3.745 1.00 0.00 N ATOM 704 CA TYR A 48 -3.516 -3.647 -4.506 1.00 0.00 C ATOM 705 C TYR A 48 -3.821 -3.501 -5.994 1.00 0.00 C ATOM 706 O TYR A 48 -4.953 -3.706 -6.432 1.00 0.00 O ATOM 707 CB TYR A 48 -2.527 -4.793 -4.287 1.00 0.00 C ATOM 708 CG TYR A 48 -1.876 -4.779 -2.922 1.00 0.00 C ATOM 709 CD1 TYR A 48 -2.552 -5.250 -1.804 1.00 0.00 C ATOM 710 CD2 TYR A 48 -0.586 -4.293 -2.751 1.00 0.00 C ATOM 711 CE1 TYR A 48 -1.962 -5.238 -0.555 1.00 0.00 C ATOM 712 CE2 TYR A 48 0.013 -4.278 -1.507 1.00 0.00 C ATOM 713 CZ TYR A 48 -0.679 -4.752 -0.411 1.00 0.00 C ATOM 714 OH TYR A 48 -0.087 -4.738 0.831 1.00 0.00 O ATOM 0 H TYR A 48 -4.967 -4.865 -3.607 1.00 0.00 H new ATOM 0 HA TYR A 48 -3.070 -2.718 -4.152 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -3.047 -5.741 -4.422 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -1.751 -4.743 -5.051 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -3.556 -5.632 -1.913 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -0.042 -3.920 -3.606 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.502 -5.607 0.304 1.00 0.00 H new ATOM 0 HE2 TYR A 48 1.017 -3.898 -1.392 1.00 0.00 H new ATOM 0 HH TYR A 48 0.355 -3.875 0.973 1.00 0.00 H new ATOM 724 N LYS A 49 -2.801 -3.144 -6.767 1.00 0.00 N ATOM 725 CA LYS A 49 -2.955 -2.971 -8.207 1.00 0.00 C ATOM 726 C LYS A 49 -3.298 -4.296 -8.880 1.00 0.00 C ATOM 727 O LYS A 49 -4.003 -4.326 -9.889 1.00 0.00 O ATOM 728 CB LYS A 49 -1.674 -2.395 -8.812 1.00 0.00 C ATOM 729 CG LYS A 49 -1.687 -2.344 -10.330 1.00 0.00 C ATOM 730 CD LYS A 49 -2.360 -1.081 -10.840 1.00 0.00 C ATOM 731 CE LYS A 49 -3.854 -1.285 -11.036 1.00 0.00 C ATOM 732 NZ LYS A 49 -4.434 -0.280 -11.969 1.00 0.00 N ATOM 0 H LYS A 49 -1.858 -2.969 -6.420 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.775 -2.274 -8.379 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -1.520 -1.388 -8.424 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -0.826 -2.996 -8.484 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -0.665 -2.389 -10.705 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -2.209 -3.218 -10.720 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -2.192 -0.268 -10.134 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -1.906 -0.782 -11.785 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -4.036 -2.287 -11.424 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -4.359 -1.219 -10.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -5.454 -0.453 -12.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -4.283 0.676 -11.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -3.970 -0.359 -12.897 1.00 0.00 H new ATOM 746 N ASP A 50 -2.795 -5.388 -8.316 1.00 0.00 N ATOM 747 CA ASP A 50 -3.050 -6.717 -8.861 1.00 0.00 C ATOM 748 C ASP A 50 -4.391 -7.256 -8.375 1.00 0.00 C ATOM 749 O ASP A 50 -4.662 -8.452 -8.467 1.00 0.00 O ATOM 750 CB ASP A 50 -1.927 -7.677 -8.466 1.00 0.00 C ATOM 751 CG ASP A 50 -2.201 -8.379 -7.150 1.00 0.00 C ATOM 752 OD1 ASP A 50 -1.882 -7.798 -6.092 1.00 0.00 O ATOM 753 OD2 ASP A 50 -2.734 -9.508 -7.179 1.00 0.00 O ATOM 0 H ASP A 50 -2.208 -5.380 -7.482 1.00 0.00 H new ATOM 0 HA ASP A 50 -3.084 -6.637 -9.948 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -1.797 -8.422 -9.251 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.990 -7.125 -8.392 1.00 0.00 H new ATOM 758 N GLY A 51 -5.229 -6.363 -7.855 1.00 0.00 N ATOM 759 CA GLY A 51 -6.532 -6.768 -7.361 1.00 0.00 C ATOM 760 C GLY A 51 -6.435 -7.725 -6.189 1.00 0.00 C ATOM 761 O GLY A 51 -6.946 -8.844 -6.248 1.00 0.00 O ATOM 0 H GLY A 51 -5.028 -5.367 -7.767 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -7.094 -5.884 -7.059 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -7.092 -7.241 -8.167 1.00 0.00 H new ATOM 765 N THR A 52 -5.777 -7.285 -5.121 1.00 0.00 N ATOM 766 CA THR A 52 -5.613 -8.112 -3.931 1.00 0.00 C ATOM 767 C THR A 52 -6.109 -7.387 -2.686 1.00 0.00 C ATOM 768 O THR A 52 -5.663 -6.280 -2.382 1.00 0.00 O ATOM 769 CB THR A 52 -4.140 -8.513 -3.726 1.00 0.00 C ATOM 770 OG1 THR A 52 -3.629 -9.126 -4.915 1.00 0.00 O ATOM 771 CG2 THR A 52 -3.999 -9.473 -2.554 1.00 0.00 C ATOM 0 H THR A 52 -5.349 -6.361 -5.055 1.00 0.00 H new ATOM 0 HA THR A 52 -6.209 -9.012 -4.085 1.00 0.00 H new ATOM 0 HB THR A 52 -3.568 -7.611 -3.508 1.00 0.00 H new ATOM 0 HG1 THR A 52 -2.667 -8.955 -4.984 1.00 0.00 H new ATOM 0 HG21 THR A 52 -2.950 -9.742 -2.428 1.00 0.00 H new ATOM 0 HG22 THR A 52 -4.362 -8.993 -1.645 1.00 0.00 H new ATOM 0 HG23 THR A 52 -4.584 -10.372 -2.748 1.00 0.00 H new ATOM 779 N GLU A 53 -7.032 -8.018 -1.967 1.00 0.00 N ATOM 780 CA GLU A 53 -7.588 -7.431 -0.753 1.00 0.00 C ATOM 781 C GLU A 53 -6.982 -8.076 0.490 1.00 0.00 C ATOM 782 O GLU A 53 -6.987 -9.300 0.633 1.00 0.00 O ATOM 783 CB GLU A 53 -9.109 -7.590 -0.734 1.00 0.00 C ATOM 784 CG GLU A 53 -9.814 -6.841 -1.852 1.00 0.00 C ATOM 785 CD GLU A 53 -11.313 -6.753 -1.641 1.00 0.00 C ATOM 786 OE1 GLU A 53 -11.859 -7.601 -0.904 1.00 0.00 O ATOM 787 OE2 GLU A 53 -11.941 -5.838 -2.213 1.00 0.00 O ATOM 0 H GLU A 53 -7.410 -8.935 -2.204 1.00 0.00 H new ATOM 0 HA GLU A 53 -7.341 -6.369 -0.747 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -9.356 -8.649 -0.806 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -9.491 -7.238 0.224 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -9.402 -5.835 -1.926 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -9.613 -7.339 -2.801 1.00 0.00 H new ATOM 794 N LEU A 54 -6.460 -7.246 1.385 1.00 0.00 N ATOM 795 CA LEU A 54 -5.849 -7.734 2.617 1.00 0.00 C ATOM 796 C LEU A 54 -6.276 -6.885 3.810 1.00 0.00 C ATOM 797 O LEU A 54 -6.914 -5.845 3.647 1.00 0.00 O ATOM 798 CB LEU A 54 -4.325 -7.727 2.491 1.00 0.00 C ATOM 799 CG LEU A 54 -3.751 -8.398 1.243 1.00 0.00 C ATOM 800 CD1 LEU A 54 -2.310 -7.967 1.019 1.00 0.00 C ATOM 801 CD2 LEU A 54 -3.845 -9.913 1.361 1.00 0.00 C ATOM 0 H LEU A 54 -6.447 -6.231 1.281 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.189 -8.756 2.782 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.984 -6.692 2.512 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -3.906 -8.219 3.369 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.340 -8.083 0.382 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.919 -8.455 0.126 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.270 -6.886 0.889 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.707 -8.251 1.881 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.432 -10.374 0.464 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.281 -10.246 2.233 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -4.889 -10.205 1.471 1.00 0.00 H new ATOM 813 N GLU A 55 -5.918 -7.335 5.009 1.00 0.00 N ATOM 814 CA GLU A 55 -6.264 -6.616 6.229 1.00 0.00 C ATOM 815 C GLU A 55 -5.009 -6.121 6.943 1.00 0.00 C ATOM 816 O GLU A 55 -4.289 -6.901 7.568 1.00 0.00 O ATOM 817 CB GLU A 55 -7.076 -7.514 7.164 1.00 0.00 C ATOM 818 CG GLU A 55 -8.575 -7.438 6.932 1.00 0.00 C ATOM 819 CD GLU A 55 -9.337 -8.514 7.680 1.00 0.00 C ATOM 820 OE1 GLU A 55 -8.873 -9.673 7.689 1.00 0.00 O ATOM 821 OE2 GLU A 55 -10.398 -8.197 8.257 1.00 0.00 O ATOM 0 H GLU A 55 -5.389 -8.194 5.161 1.00 0.00 H new ATOM 0 HA GLU A 55 -6.868 -5.752 5.952 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -6.749 -8.546 7.037 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -6.862 -7.237 8.196 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -8.938 -6.458 7.243 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.779 -7.529 5.865 1.00 0.00 H new ATOM 828 N LEU A 56 -4.753 -4.822 6.844 1.00 0.00 N ATOM 829 CA LEU A 56 -3.585 -4.221 7.479 1.00 0.00 C ATOM 830 C LEU A 56 -4.001 -3.286 8.611 1.00 0.00 C ATOM 831 O LEU A 56 -4.815 -2.383 8.417 1.00 0.00 O ATOM 832 CB LEU A 56 -2.756 -3.455 6.448 1.00 0.00 C ATOM 833 CG LEU A 56 -2.428 -4.208 5.157 1.00 0.00 C ATOM 834 CD1 LEU A 56 -1.731 -3.289 4.166 1.00 0.00 C ATOM 835 CD2 LEU A 56 -1.567 -5.426 5.455 1.00 0.00 C ATOM 0 H LEU A 56 -5.339 -4.164 6.330 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.978 -5.023 7.899 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.291 -2.542 6.187 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.820 -3.152 6.917 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.362 -4.549 4.710 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.505 -3.842 3.254 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.383 -2.448 3.929 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.804 -2.918 4.604 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.343 -5.950 4.526 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.637 -5.108 5.925 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.103 -6.095 6.128 1.00 0.00 H new ATOM 847 N LYS A 57 -3.435 -3.507 9.792 1.00 0.00 N ATOM 848 CA LYS A 57 -3.743 -2.683 10.955 1.00 0.00 C ATOM 849 C LYS A 57 -3.494 -1.208 10.657 1.00 0.00 C ATOM 850 O LYS A 57 -2.790 -0.868 9.707 1.00 0.00 O ATOM 851 CB LYS A 57 -2.900 -3.121 12.154 1.00 0.00 C ATOM 852 CG LYS A 57 -3.278 -4.489 12.696 1.00 0.00 C ATOM 853 CD LYS A 57 -2.532 -5.600 11.976 1.00 0.00 C ATOM 854 CE LYS A 57 -2.353 -6.819 12.867 1.00 0.00 C ATOM 855 NZ LYS A 57 -3.642 -7.523 13.110 1.00 0.00 N ATOM 0 H LYS A 57 -2.760 -4.251 9.970 1.00 0.00 H new ATOM 0 HA LYS A 57 -4.798 -2.815 11.193 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.849 -3.132 11.864 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.004 -2.383 12.949 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -3.057 -4.533 13.762 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -4.352 -4.641 12.587 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -3.078 -5.883 11.076 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.556 -5.236 11.655 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -1.646 -7.507 12.404 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -1.922 -6.512 13.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -3.575 -8.078 13.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -4.407 -6.825 13.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -3.846 -8.159 12.313 1.00 0.00 H new ATOM 869 N GLU A 58 -4.074 -0.337 11.477 1.00 0.00 N ATOM 870 CA GLU A 58 -3.913 1.102 11.301 1.00 0.00 C ATOM 871 C GLU A 58 -2.441 1.497 11.367 1.00 0.00 C ATOM 872 O GLU A 58 -2.048 2.552 10.871 1.00 0.00 O ATOM 873 CB GLU A 58 -4.705 1.861 12.368 1.00 0.00 C ATOM 874 CG GLU A 58 -4.922 3.327 12.036 1.00 0.00 C ATOM 875 CD GLU A 58 -5.606 4.084 13.158 1.00 0.00 C ATOM 876 OE1 GLU A 58 -6.853 4.050 13.222 1.00 0.00 O ATOM 877 OE2 GLU A 58 -4.896 4.709 13.972 1.00 0.00 O ATOM 0 H GLU A 58 -4.659 -0.602 12.269 1.00 0.00 H new ATOM 0 HA GLU A 58 -4.298 1.367 10.316 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.674 1.380 12.500 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -4.180 1.787 13.320 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.960 3.793 11.822 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -5.523 3.405 11.130 1.00 0.00 H new ATOM 884 N ASN A 59 -1.632 0.641 11.984 1.00 0.00 N ATOM 885 CA ASN A 59 -0.203 0.901 12.117 1.00 0.00 C ATOM 886 C ASN A 59 0.552 0.440 10.873 1.00 0.00 C ATOM 887 O ASN A 59 1.444 1.132 10.384 1.00 0.00 O ATOM 888 CB ASN A 59 0.352 0.194 13.355 1.00 0.00 C ATOM 889 CG ASN A 59 1.832 -0.111 13.232 1.00 0.00 C ATOM 890 OD1 ASN A 59 2.239 -0.962 12.441 1.00 0.00 O ATOM 891 ND2 ASN A 59 2.647 0.585 14.017 1.00 0.00 N ATOM 0 H ASN A 59 -1.942 -0.238 12.399 1.00 0.00 H new ATOM 0 HA ASN A 59 -0.063 1.976 12.228 1.00 0.00 H new ATOM 0 HB2 ASN A 59 0.184 0.819 14.232 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -0.195 -0.735 13.516 1.00 0.00 H new ATOM 0 HD21 ASN A 59 3.653 0.423 13.979 1.00 0.00 H new ATOM 0 HD22 ASN A 59 2.266 1.281 14.658 1.00 0.00 H new ATOM 898 N ASP A 60 0.187 -0.733 10.368 1.00 0.00 N ATOM 899 CA ASP A 60 0.827 -1.287 9.181 1.00 0.00 C ATOM 900 C ASP A 60 0.695 -0.334 7.997 1.00 0.00 C ATOM 901 O ASP A 60 1.464 -0.409 7.038 1.00 0.00 O ATOM 902 CB ASP A 60 0.214 -2.644 8.830 1.00 0.00 C ATOM 903 CG ASP A 60 0.556 -3.714 9.848 1.00 0.00 C ATOM 904 OD1 ASP A 60 1.545 -3.533 10.589 1.00 0.00 O ATOM 905 OD2 ASP A 60 -0.164 -4.733 9.903 1.00 0.00 O ATOM 0 H ASP A 60 -0.549 -1.319 10.762 1.00 0.00 H new ATOM 0 HA ASP A 60 1.886 -1.422 9.400 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -0.869 -2.544 8.763 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.567 -2.956 7.847 1.00 0.00 H new ATOM 910 N ILE A 61 -0.285 0.560 8.071 1.00 0.00 N ATOM 911 CA ILE A 61 -0.518 1.528 7.006 1.00 0.00 C ATOM 912 C ILE A 61 0.102 2.879 7.345 1.00 0.00 C ATOM 913 O ILE A 61 0.096 3.305 8.500 1.00 0.00 O ATOM 914 CB ILE A 61 -2.023 1.719 6.738 1.00 0.00 C ATOM 915 CG1 ILE A 61 -2.685 0.372 6.440 1.00 0.00 C ATOM 916 CG2 ILE A 61 -2.236 2.688 5.585 1.00 0.00 C ATOM 917 CD1 ILE A 61 -4.162 0.340 6.766 1.00 0.00 C ATOM 0 H ILE A 61 -0.931 0.634 8.857 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.045 1.129 6.109 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.486 2.140 7.630 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.549 0.135 5.385 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.178 -0.407 7.010 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -3.304 2.813 5.407 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.794 3.653 5.834 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.762 2.294 4.686 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.565 -0.645 6.530 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -4.305 0.546 7.827 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.681 1.096 6.177 1.00 0.00 H new ATOM 929 N LYS A 62 0.636 3.550 6.330 1.00 0.00 N ATOM 930 CA LYS A 62 1.259 4.855 6.519 1.00 0.00 C ATOM 931 C LYS A 62 1.058 5.736 5.289 1.00 0.00 C ATOM 932 O LYS A 62 0.694 5.250 4.219 1.00 0.00 O ATOM 933 CB LYS A 62 2.753 4.694 6.805 1.00 0.00 C ATOM 934 CG LYS A 62 3.050 3.817 8.009 1.00 0.00 C ATOM 935 CD LYS A 62 4.419 4.120 8.595 1.00 0.00 C ATOM 936 CE LYS A 62 5.503 3.271 7.947 1.00 0.00 C ATOM 937 NZ LYS A 62 6.767 3.290 8.734 1.00 0.00 N ATOM 0 H LYS A 62 0.650 3.212 5.368 1.00 0.00 H new ATOM 0 HA LYS A 62 0.783 5.337 7.373 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.239 4.268 5.927 1.00 0.00 H new ATOM 0 HB3 LYS A 62 3.192 5.679 6.966 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.285 3.971 8.770 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.002 2.768 7.717 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.650 5.176 8.455 1.00 0.00 H new ATOM 0 HD3 LYS A 62 4.405 3.936 9.669 1.00 0.00 H new ATOM 0 HE2 LYS A 62 5.151 2.244 7.850 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.697 3.637 6.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 7.480 2.700 8.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 7.117 4.267 8.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 6.588 2.917 9.688 1.00 0.00 H new ATOM 951 N SER A 63 1.299 7.033 5.451 1.00 0.00 N ATOM 952 CA SER A 63 1.142 7.981 4.354 1.00 0.00 C ATOM 953 C SER A 63 2.463 8.682 4.049 1.00 0.00 C ATOM 954 O SER A 63 3.434 8.552 4.794 1.00 0.00 O ATOM 955 CB SER A 63 0.070 9.017 4.697 1.00 0.00 C ATOM 956 OG SER A 63 0.423 9.753 5.856 1.00 0.00 O ATOM 0 H SER A 63 1.603 7.451 6.330 1.00 0.00 H new ATOM 0 HA SER A 63 0.831 7.426 3.469 1.00 0.00 H new ATOM 0 HB2 SER A 63 -0.064 9.698 3.857 1.00 0.00 H new ATOM 0 HB3 SER A 63 -0.885 8.517 4.857 1.00 0.00 H new ATOM 0 HG SER A 63 -0.278 10.409 6.053 1.00 0.00 H new ATOM 962 N GLY A 64 2.491 9.425 2.947 1.00 0.00 N ATOM 963 CA GLY A 64 3.696 10.136 2.562 1.00 0.00 C ATOM 964 C GLY A 64 3.426 11.582 2.197 1.00 0.00 C ATOM 965 O GLY A 64 2.301 11.962 1.869 1.00 0.00 O ATOM 0 H GLY A 64 1.701 9.547 2.314 1.00 0.00 H new ATOM 0 HA2 GLY A 64 4.413 10.100 3.382 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.157 9.630 1.713 1.00 0.00 H new ATOM 969 N PRO A 65 4.474 12.417 2.254 1.00 0.00 N ATOM 970 CA PRO A 65 4.369 13.843 1.932 1.00 0.00 C ATOM 971 C PRO A 65 4.131 14.085 0.445 1.00 0.00 C ATOM 972 O PRO A 65 5.032 13.906 -0.374 1.00 0.00 O ATOM 973 CB PRO A 65 5.729 14.404 2.354 1.00 0.00 C ATOM 974 CG PRO A 65 6.659 13.243 2.274 1.00 0.00 C ATOM 975 CD PRO A 65 5.843 12.033 2.637 1.00 0.00 C ATOM 0 HA PRO A 65 3.524 14.313 2.436 1.00 0.00 H new ATOM 0 HB2 PRO A 65 6.046 15.211 1.694 1.00 0.00 H new ATOM 0 HB3 PRO A 65 5.692 14.813 3.364 1.00 0.00 H new ATOM 0 HG2 PRO A 65 7.077 13.146 1.272 1.00 0.00 H new ATOM 0 HG3 PRO A 65 7.498 13.367 2.958 1.00 0.00 H new ATOM 0 HD2 PRO A 65 6.177 11.147 2.098 1.00 0.00 H new ATOM 0 HD3 PRO A 65 5.914 11.805 3.701 1.00 0.00 H new ATOM 983 N SER A 66 2.914 14.494 0.104 1.00 0.00 N ATOM 984 CA SER A 66 2.557 14.758 -1.285 1.00 0.00 C ATOM 985 C SER A 66 3.245 13.768 -2.220 1.00 0.00 C ATOM 986 O SER A 66 3.740 14.143 -3.284 1.00 0.00 O ATOM 987 CB SER A 66 2.939 16.189 -1.669 1.00 0.00 C ATOM 988 OG SER A 66 2.252 16.604 -2.837 1.00 0.00 O ATOM 0 H SER A 66 2.158 14.650 0.771 1.00 0.00 H new ATOM 0 HA SER A 66 1.478 14.638 -1.386 1.00 0.00 H new ATOM 0 HB2 SER A 66 2.705 16.865 -0.846 1.00 0.00 H new ATOM 0 HB3 SER A 66 4.015 16.250 -1.835 1.00 0.00 H new ATOM 0 HG SER A 66 2.451 15.985 -3.571 1.00 0.00 H new ATOM 994 N SER A 67 3.273 12.503 -1.815 1.00 0.00 N ATOM 995 CA SER A 67 3.904 11.458 -2.613 1.00 0.00 C ATOM 996 C SER A 67 2.902 10.831 -3.578 1.00 0.00 C ATOM 997 O SER A 67 1.999 10.103 -3.166 1.00 0.00 O ATOM 998 CB SER A 67 4.497 10.380 -1.704 1.00 0.00 C ATOM 999 OG SER A 67 5.074 9.332 -2.465 1.00 0.00 O ATOM 0 H SER A 67 2.866 12.176 -0.939 1.00 0.00 H new ATOM 0 HA SER A 67 4.705 11.914 -3.194 1.00 0.00 H new ATOM 0 HB2 SER A 67 5.254 10.822 -1.056 1.00 0.00 H new ATOM 0 HB3 SER A 67 3.718 9.977 -1.056 1.00 0.00 H new ATOM 0 HG SER A 67 5.447 8.656 -1.861 1.00 0.00 H new ATOM 1005 N GLY A 68 3.068 11.121 -4.865 1.00 0.00 N ATOM 1006 CA GLY A 68 2.171 10.578 -5.869 1.00 0.00 C ATOM 1007 C GLY A 68 2.497 9.141 -6.221 1.00 0.00 C ATOM 1008 O GLY A 68 2.610 8.793 -7.397 1.00 0.00 O ATOM 0 H GLY A 68 3.807 11.722 -5.230 1.00 0.00 H new ATOM 0 HA2 GLY A 68 1.145 10.636 -5.505 1.00 0.00 H new ATOM 0 HA3 GLY A 68 2.225 11.190 -6.769 1.00 0.00 H new TER 1012 GLY A 68