USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 437 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 NoAdj-H: A 36 HIS HE2 : A 36 HIS NE2 : A 101 ZNZN :(H bumps) 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 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc=0.000125 USER MOD Single : A 7 SER OG : rot 180:sc= -0.0507 USER MOD Single : A 12 LYS NZ :NH3+ 147:sc= 0.763 (180deg=0.299) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot -39:sc= 0.126 USER MOD Single : A 23 GLN : amide:sc= -0.0447 X(o=-0.045,f=-0.53) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 GLN : amide:sc= -0.0683 X(o=-0.068,f=-0.49) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 53 ASN : amide:sc= -0.0236 X(o=-0.024,f=-0.024) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 35.959 20.567 10.586 1.00 0.00 N ATOM 2 CA GLY A 1 35.174 21.770 10.226 1.00 0.00 C ATOM 3 C GLY A 1 33.970 21.944 11.140 1.00 0.00 C ATOM 4 O GLY A 1 34.100 21.790 12.356 1.00 0.00 O ATOM 0 H1 GLY A 1 36.772 20.478 9.944 1.00 0.00 H new ATOM 0 H2 GLY A 1 36.299 20.654 11.565 1.00 0.00 H new ATOM 0 H3 GLY A 1 35.358 19.722 10.503 1.00 0.00 H new ATOM 0 HA2 GLY A 1 35.810 22.653 10.288 1.00 0.00 H new ATOM 0 HA3 GLY A 1 34.839 21.691 9.192 1.00 0.00 H new ATOM 10 N SER A 2 32.798 22.267 10.577 1.00 0.00 N ATOM 11 CA SER A 2 31.588 22.686 11.318 1.00 0.00 C ATOM 12 C SER A 2 30.398 21.743 11.078 1.00 0.00 C ATOM 13 O SER A 2 29.298 22.163 10.713 1.00 0.00 O ATOM 14 CB SER A 2 31.235 24.148 11.002 1.00 0.00 C ATOM 15 OG SER A 2 32.282 25.027 11.394 1.00 0.00 O ATOM 0 H SER A 2 32.656 22.245 9.567 1.00 0.00 H new ATOM 0 HA SER A 2 31.817 22.619 12.381 1.00 0.00 H new ATOM 0 HB2 SER A 2 31.047 24.256 9.934 1.00 0.00 H new ATOM 0 HB3 SER A 2 30.315 24.422 11.518 1.00 0.00 H new ATOM 0 HG SER A 2 32.032 25.950 11.180 1.00 0.00 H new ATOM 21 N GLU A 3 30.624 20.438 11.244 1.00 0.00 N ATOM 22 CA GLU A 3 29.585 19.398 11.169 1.00 0.00 C ATOM 23 C GLU A 3 28.551 19.537 12.310 1.00 0.00 C ATOM 24 O GLU A 3 28.917 19.806 13.459 1.00 0.00 O ATOM 25 CB GLU A 3 30.270 18.021 11.203 1.00 0.00 C ATOM 26 CG GLU A 3 29.341 16.880 10.769 1.00 0.00 C ATOM 27 CD GLU A 3 30.101 15.539 10.746 1.00 0.00 C ATOM 28 OE1 GLU A 3 30.715 15.201 9.704 1.00 0.00 O1- ATOM 29 OE2 GLU A 3 30.089 14.813 11.769 1.00 0.00 O ATOM 0 H GLU A 3 31.552 20.063 11.439 1.00 0.00 H new ATOM 0 HA GLU A 3 29.031 19.511 10.237 1.00 0.00 H new ATOM 0 HB2 GLU A 3 31.143 18.039 10.551 1.00 0.00 H new ATOM 0 HB3 GLU A 3 30.630 17.825 12.213 1.00 0.00 H new ATOM 0 HG2 GLU A 3 28.495 16.813 11.453 1.00 0.00 H new ATOM 0 HG3 GLU A 3 28.935 17.091 9.780 1.00 0.00 H new ATOM 36 N PHE A 4 27.263 19.328 12.009 1.00 0.00 N ATOM 37 CA PHE A 4 26.157 19.440 12.973 1.00 0.00 C ATOM 38 C PHE A 4 25.076 18.380 12.692 1.00 0.00 C ATOM 39 O PHE A 4 23.971 18.680 12.232 1.00 0.00 O ATOM 40 CB PHE A 4 25.626 20.887 12.994 1.00 0.00 C ATOM 41 CG PHE A 4 24.668 21.184 14.137 1.00 0.00 C ATOM 42 CD1 PHE A 4 25.148 21.239 15.460 1.00 0.00 C ATOM 43 CD2 PHE A 4 23.300 21.410 13.885 1.00 0.00 C ATOM 44 CE1 PHE A 4 24.268 21.508 16.524 1.00 0.00 C ATOM 45 CE2 PHE A 4 22.420 21.681 14.949 1.00 0.00 C ATOM 46 CZ PHE A 4 22.902 21.730 16.269 1.00 0.00 C ATOM 0 H PHE A 4 26.953 19.071 11.072 1.00 0.00 H new ATOM 0 HA PHE A 4 26.517 19.227 13.980 1.00 0.00 H new ATOM 0 HB2 PHE A 4 26.472 21.571 13.057 1.00 0.00 H new ATOM 0 HB3 PHE A 4 25.121 21.090 12.050 1.00 0.00 H new ATOM 0 HD1 PHE A 4 26.197 21.074 15.659 1.00 0.00 H new ATOM 0 HD2 PHE A 4 22.926 21.375 12.872 1.00 0.00 H new ATOM 0 HE1 PHE A 4 24.641 21.544 17.537 1.00 0.00 H new ATOM 0 HE2 PHE A 4 21.372 21.852 14.751 1.00 0.00 H new ATOM 0 HZ PHE A 4 22.226 21.937 17.085 1.00 0.00 H new ATOM 56 N THR A 5 25.434 17.108 12.915 1.00 0.00 N ATOM 57 CA THR A 5 24.590 15.918 12.644 1.00 0.00 C ATOM 58 C THR A 5 24.115 15.858 11.177 1.00 0.00 C ATOM 59 O THR A 5 22.993 15.459 10.862 1.00 0.00 O ATOM 60 CB THR A 5 23.454 15.792 13.690 1.00 0.00 C ATOM 61 OG1 THR A 5 23.965 16.042 14.990 1.00 0.00 O ATOM 62 CG2 THR A 5 22.827 14.393 13.763 1.00 0.00 C ATOM 0 H THR A 5 26.346 16.863 13.301 1.00 0.00 H new ATOM 0 HA THR A 5 25.207 15.028 12.765 1.00 0.00 H new ATOM 0 HB THR A 5 22.700 16.512 13.372 1.00 0.00 H new ATOM 0 HG1 THR A 5 23.242 15.963 15.647 1.00 0.00 H new ATOM 0 HG21 THR A 5 22.040 14.386 14.518 1.00 0.00 H new ATOM 0 HG22 THR A 5 22.402 14.134 12.793 1.00 0.00 H new ATOM 0 HG23 THR A 5 23.593 13.665 14.030 1.00 0.00 H new ATOM 70 N SER A 6 24.977 16.298 10.253 1.00 0.00 N ATOM 71 CA SER A 6 24.687 16.453 8.819 1.00 0.00 C ATOM 72 C SER A 6 24.357 15.137 8.092 1.00 0.00 C ATOM 73 O SER A 6 23.618 15.137 7.106 1.00 0.00 O ATOM 74 CB SER A 6 25.893 17.108 8.128 1.00 0.00 C ATOM 75 OG SER A 6 26.356 18.234 8.867 1.00 0.00 O ATOM 0 H SER A 6 25.932 16.566 10.490 1.00 0.00 H new ATOM 0 HA SER A 6 23.794 17.075 8.758 1.00 0.00 H new ATOM 0 HB2 SER A 6 26.698 16.380 8.026 1.00 0.00 H new ATOM 0 HB3 SER A 6 25.615 17.419 7.121 1.00 0.00 H new ATOM 0 HG SER A 6 27.125 18.633 8.408 1.00 0.00 H new ATOM 81 N SER A 7 24.913 14.018 8.571 1.00 0.00 N ATOM 82 CA SER A 7 24.766 12.657 8.030 1.00 0.00 C ATOM 83 C SER A 7 25.238 11.618 9.075 1.00 0.00 C ATOM 84 O SER A 7 26.146 11.936 9.855 1.00 0.00 O ATOM 85 CB SER A 7 25.622 12.554 6.755 1.00 0.00 C ATOM 86 OG SER A 7 25.560 11.269 6.163 1.00 0.00 O ATOM 0 H SER A 7 25.513 14.037 9.395 1.00 0.00 H new ATOM 0 HA SER A 7 23.721 12.454 7.797 1.00 0.00 H new ATOM 0 HB2 SER A 7 25.286 13.299 6.034 1.00 0.00 H new ATOM 0 HB3 SER A 7 26.658 12.790 6.997 1.00 0.00 H new ATOM 0 HG SER A 7 26.117 11.253 5.357 1.00 0.00 H new ATOM 92 N PRO A 8 24.662 10.396 9.137 1.00 0.00 N ATOM 93 CA PRO A 8 25.113 9.335 10.048 1.00 0.00 C ATOM 94 C PRO A 8 26.499 8.759 9.680 1.00 0.00 C ATOM 95 O PRO A 8 27.066 9.059 8.623 1.00 0.00 O ATOM 96 CB PRO A 8 24.013 8.268 9.990 1.00 0.00 C ATOM 97 CG PRO A 8 23.435 8.426 8.588 1.00 0.00 C ATOM 98 CD PRO A 8 23.513 9.936 8.366 1.00 0.00 C ATOM 0 HA PRO A 8 25.256 9.725 11.056 1.00 0.00 H new ATOM 0 HB2 PRO A 8 24.416 7.268 10.147 1.00 0.00 H new ATOM 0 HB3 PRO A 8 23.256 8.431 10.757 1.00 0.00 H new ATOM 0 HG2 PRO A 8 24.014 7.876 7.846 1.00 0.00 H new ATOM 0 HG3 PRO A 8 22.410 8.059 8.528 1.00 0.00 H new ATOM 0 HD2 PRO A 8 23.634 10.169 7.308 1.00 0.00 H new ATOM 0 HD3 PRO A 8 22.598 10.427 8.698 1.00 0.00 H new ATOM 106 N ARG A 9 27.042 7.896 10.553 1.00 0.00 N ATOM 107 CA ARG A 9 28.375 7.274 10.426 1.00 0.00 C ATOM 108 C ARG A 9 28.344 5.797 10.843 1.00 0.00 C ATOM 109 O ARG A 9 27.691 5.446 11.826 1.00 0.00 O ATOM 110 CB ARG A 9 29.368 8.093 11.275 1.00 0.00 C ATOM 111 CG ARG A 9 30.835 7.703 11.040 1.00 0.00 C ATOM 112 CD ARG A 9 31.769 8.641 11.814 1.00 0.00 C ATOM 113 NE ARG A 9 33.188 8.351 11.524 1.00 0.00 N ATOM 114 CZ ARG A 9 34.223 9.125 11.801 1.00 0.00 C ATOM 115 NH1 ARG A 9 34.095 10.264 12.425 1.00 0.00 N1+ ATOM 116 NH2 ARG A 9 35.424 8.766 11.451 1.00 0.00 N ATOM 0 H ARG A 9 26.551 7.600 11.396 1.00 0.00 H new ATOM 0 HA ARG A 9 28.695 7.285 9.384 1.00 0.00 H new ATOM 0 HB2 ARG A 9 29.240 9.152 11.050 1.00 0.00 H new ATOM 0 HB3 ARG A 9 29.129 7.960 12.330 1.00 0.00 H new ATOM 0 HG2 ARG A 9 30.999 6.673 11.357 1.00 0.00 H new ATOM 0 HG3 ARG A 9 31.064 7.749 9.975 1.00 0.00 H new ATOM 0 HD2 ARG A 9 31.547 9.675 11.552 1.00 0.00 H new ATOM 0 HD3 ARG A 9 31.586 8.537 12.884 1.00 0.00 H new ATOM 0 HE ARG A 9 33.390 7.464 11.063 1.00 0.00 H new ATOM 0 HH11 ARG A 9 33.172 10.585 12.717 1.00 0.00 H new ATOM 0 HH12 ARG A 9 34.918 10.834 12.621 1.00 0.00 H new ATOM 0 HH21 ARG A 9 35.570 7.884 10.960 1.00 0.00 H new ATOM 0 HH22 ARG A 9 36.219 9.367 11.667 1.00 0.00 H new ATOM 130 N GLY A 10 29.065 4.944 10.115 1.00 0.00 N ATOM 131 CA GLY A 10 29.065 3.481 10.273 1.00 0.00 C ATOM 132 C GLY A 10 30.437 2.857 9.987 1.00 0.00 C ATOM 133 O GLY A 10 30.534 1.814 9.341 1.00 0.00 O ATOM 0 H GLY A 10 29.688 5.259 9.372 1.00 0.00 H new ATOM 0 HA2 GLY A 10 28.760 3.229 11.289 1.00 0.00 H new ATOM 0 HA3 GLY A 10 28.325 3.047 9.601 1.00 0.00 H new ATOM 137 N ASP A 11 31.500 3.529 10.435 1.00 0.00 N ATOM 138 CA ASP A 11 32.903 3.297 10.052 1.00 0.00 C ATOM 139 C ASP A 11 33.804 3.179 11.301 1.00 0.00 C ATOM 140 O ASP A 11 34.889 3.766 11.375 1.00 0.00 O ATOM 141 CB ASP A 11 33.347 4.414 9.086 1.00 0.00 C ATOM 142 CG ASP A 11 32.548 4.401 7.771 1.00 0.00 C ATOM 143 OD1 ASP A 11 32.933 3.655 6.837 1.00 0.00 O ATOM 144 OD2 ASP A 11 31.544 5.146 7.663 1.00 0.00 O1- ATOM 0 H ASP A 11 31.405 4.289 11.109 1.00 0.00 H new ATOM 0 HA ASP A 11 32.999 2.345 9.529 1.00 0.00 H new ATOM 0 HB2 ASP A 11 33.225 5.382 9.573 1.00 0.00 H new ATOM 0 HB3 ASP A 11 34.408 4.299 8.865 1.00 0.00 H new ATOM 149 N LYS A 12 33.317 2.462 12.325 1.00 0.00 N ATOM 150 CA LYS A 12 33.923 2.357 13.667 1.00 0.00 C ATOM 151 C LYS A 12 33.733 0.957 14.265 1.00 0.00 C ATOM 152 O LYS A 12 32.660 0.369 14.131 1.00 0.00 O ATOM 153 CB LYS A 12 33.290 3.450 14.551 1.00 0.00 C ATOM 154 CG LYS A 12 34.031 3.661 15.880 1.00 0.00 C ATOM 155 CD LYS A 12 33.674 5.005 16.537 1.00 0.00 C ATOM 156 CE LYS A 12 32.209 5.157 16.982 1.00 0.00 C ATOM 157 NZ LYS A 12 31.905 4.390 18.220 1.00 0.00 N1+ ATOM 0 H LYS A 12 32.458 1.918 12.241 1.00 0.00 H new ATOM 0 HA LYS A 12 35.001 2.508 13.605 1.00 0.00 H new ATOM 0 HB2 LYS A 12 33.274 4.390 13.999 1.00 0.00 H new ATOM 0 HB3 LYS A 12 32.254 3.184 14.759 1.00 0.00 H new ATOM 0 HG2 LYS A 12 33.786 2.848 16.564 1.00 0.00 H new ATOM 0 HG3 LYS A 12 35.106 3.618 15.705 1.00 0.00 H new ATOM 0 HD2 LYS A 12 34.316 5.146 17.406 1.00 0.00 H new ATOM 0 HD3 LYS A 12 33.907 5.806 15.835 1.00 0.00 H new ATOM 0 HE2 LYS A 12 31.992 6.212 17.150 1.00 0.00 H new ATOM 0 HE3 LYS A 12 31.553 4.820 16.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 31.190 4.900 18.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 31.540 3.450 17.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 32.772 4.284 18.784 1.00 0.00 H new ATOM 171 N ALA A 13 34.759 0.431 14.940 1.00 0.00 N ATOM 172 CA ALA A 13 34.740 -0.902 15.561 1.00 0.00 C ATOM 173 C ALA A 13 33.749 -1.013 16.739 1.00 0.00 C ATOM 174 O ALA A 13 33.062 -2.024 16.896 1.00 0.00 O ATOM 175 CB ALA A 13 36.168 -1.236 16.017 1.00 0.00 C ATOM 0 H ALA A 13 35.641 0.925 15.074 1.00 0.00 H new ATOM 0 HA ALA A 13 34.390 -1.620 14.819 1.00 0.00 H new ATOM 0 HB1 ALA A 13 36.180 -2.222 16.482 1.00 0.00 H new ATOM 0 HB2 ALA A 13 36.835 -1.233 15.155 1.00 0.00 H new ATOM 0 HB3 ALA A 13 36.503 -0.491 16.738 1.00 0.00 H new ATOM 181 N ALA A 14 33.641 0.045 17.549 1.00 0.00 N ATOM 182 CA ALA A 14 32.705 0.160 18.669 1.00 0.00 C ATOM 183 C ALA A 14 31.306 0.618 18.200 1.00 0.00 C ATOM 184 O ALA A 14 30.872 1.732 18.507 1.00 0.00 O ATOM 185 CB ALA A 14 33.327 1.078 19.733 1.00 0.00 C ATOM 0 H ALA A 14 34.225 0.874 17.438 1.00 0.00 H new ATOM 0 HA ALA A 14 32.539 -0.818 19.120 1.00 0.00 H new ATOM 0 HB1 ALA A 14 32.642 1.175 20.575 1.00 0.00 H new ATOM 0 HB2 ALA A 14 34.268 0.650 20.078 1.00 0.00 H new ATOM 0 HB3 ALA A 14 33.513 2.062 19.301 1.00 0.00 H new ATOM 191 N TYR A 15 30.615 -0.222 17.421 1.00 0.00 N ATOM 192 CA TYR A 15 29.237 0.015 16.954 1.00 0.00 C ATOM 193 C TYR A 15 28.172 -0.763 17.756 1.00 0.00 C ATOM 194 O TYR A 15 26.976 -0.529 17.582 1.00 0.00 O ATOM 195 CB TYR A 15 29.136 -0.262 15.442 1.00 0.00 C ATOM 196 CG TYR A 15 29.207 -1.724 15.018 1.00 0.00 C ATOM 197 CD1 TYR A 15 30.452 -2.339 14.778 1.00 0.00 C ATOM 198 CD2 TYR A 15 28.019 -2.465 14.838 1.00 0.00 C ATOM 199 CE1 TYR A 15 30.515 -3.688 14.375 1.00 0.00 C ATOM 200 CE2 TYR A 15 28.076 -3.811 14.426 1.00 0.00 C ATOM 201 CZ TYR A 15 29.326 -4.426 14.191 1.00 0.00 C ATOM 202 OH TYR A 15 29.388 -5.726 13.790 1.00 0.00 O ATOM 0 H TYR A 15 31.003 -1.105 17.089 1.00 0.00 H new ATOM 0 HA TYR A 15 29.014 1.066 17.135 1.00 0.00 H new ATOM 0 HB2 TYR A 15 28.196 0.154 15.080 1.00 0.00 H new ATOM 0 HB3 TYR A 15 29.938 0.279 14.941 1.00 0.00 H new ATOM 0 HD1 TYR A 15 31.363 -1.773 14.904 1.00 0.00 H new ATOM 0 HD2 TYR A 15 27.062 -1.998 15.017 1.00 0.00 H new ATOM 0 HE1 TYR A 15 31.473 -4.157 14.207 1.00 0.00 H new ATOM 0 HE2 TYR A 15 27.164 -4.373 14.290 1.00 0.00 H new ATOM 0 HH TYR A 15 28.481 -6.088 13.713 1.00 0.00 H new ATOM 212 N ASP A 16 28.587 -1.663 18.656 1.00 0.00 N ATOM 213 CA ASP A 16 27.693 -2.482 19.491 1.00 0.00 C ATOM 214 C ASP A 16 27.103 -1.722 20.702 1.00 0.00 C ATOM 215 O ASP A 16 25.986 -2.018 21.132 1.00 0.00 O ATOM 216 CB ASP A 16 28.473 -3.721 19.954 1.00 0.00 C ATOM 217 CG ASP A 16 27.576 -4.740 20.678 1.00 0.00 C ATOM 218 OD1 ASP A 16 26.709 -5.361 20.016 1.00 0.00 O1- ATOM 219 OD2 ASP A 16 27.759 -4.949 21.900 1.00 0.00 O ATOM 0 H ASP A 16 29.575 -1.848 18.829 1.00 0.00 H new ATOM 0 HA ASP A 16 26.833 -2.764 18.884 1.00 0.00 H new ATOM 0 HB2 ASP A 16 28.938 -4.198 19.091 1.00 0.00 H new ATOM 0 HB3 ASP A 16 29.279 -3.412 20.620 1.00 0.00 H new ATOM 224 N ILE A 17 27.829 -0.729 21.241 1.00 0.00 N ATOM 225 CA ILE A 17 27.338 0.171 22.303 1.00 0.00 C ATOM 226 C ILE A 17 26.291 1.161 21.771 1.00 0.00 C ATOM 227 O ILE A 17 25.271 1.392 22.426 1.00 0.00 O ATOM 228 CB ILE A 17 28.519 0.874 23.023 1.00 0.00 C ATOM 229 CG1 ILE A 17 28.065 1.744 24.224 1.00 0.00 C ATOM 230 CG2 ILE A 17 29.472 1.639 22.082 1.00 0.00 C ATOM 231 CD1 ILE A 17 27.713 3.218 23.946 1.00 0.00 C ATOM 0 H ILE A 17 28.785 -0.524 20.950 1.00 0.00 H new ATOM 0 HA ILE A 17 26.826 -0.435 23.050 1.00 0.00 H new ATOM 0 HB ILE A 17 29.111 0.054 23.430 1.00 0.00 H new ATOM 0 HG12 ILE A 17 27.192 1.269 24.672 1.00 0.00 H new ATOM 0 HG13 ILE A 17 28.858 1.723 24.972 1.00 0.00 H new ATOM 0 HG21 ILE A 17 30.268 2.100 22.667 1.00 0.00 H new ATOM 0 HG22 ILE A 17 29.906 0.946 21.361 1.00 0.00 H new ATOM 0 HG23 ILE A 17 28.916 2.413 21.552 1.00 0.00 H new ATOM 0 HD11 ILE A 17 27.413 3.702 24.875 1.00 0.00 H new ATOM 0 HD12 ILE A 17 28.584 3.729 23.535 1.00 0.00 H new ATOM 0 HD13 ILE A 17 26.892 3.267 23.230 1.00 0.00 H new ATOM 243 N LEU A 18 26.518 1.711 20.572 1.00 0.00 N ATOM 244 CA LEU A 18 25.576 2.591 19.875 1.00 0.00 C ATOM 245 C LEU A 18 24.259 1.857 19.551 1.00 0.00 C ATOM 246 O LEU A 18 24.238 0.635 19.374 1.00 0.00 O ATOM 247 CB LEU A 18 26.221 3.117 18.573 1.00 0.00 C ATOM 248 CG LEU A 18 27.467 4.006 18.754 1.00 0.00 C ATOM 249 CD1 LEU A 18 28.118 4.290 17.401 1.00 0.00 C ATOM 250 CD2 LEU A 18 27.125 5.356 19.385 1.00 0.00 C ATOM 0 H LEU A 18 27.380 1.553 20.050 1.00 0.00 H new ATOM 0 HA LEU A 18 25.341 3.429 20.532 1.00 0.00 H new ATOM 0 HB2 LEU A 18 26.494 2.262 17.954 1.00 0.00 H new ATOM 0 HB3 LEU A 18 25.471 3.683 18.021 1.00 0.00 H new ATOM 0 HG LEU A 18 28.142 3.458 19.411 1.00 0.00 H new ATOM 0 HD11 LEU A 18 28.997 4.919 17.545 1.00 0.00 H new ATOM 0 HD12 LEU A 18 28.417 3.350 16.936 1.00 0.00 H new ATOM 0 HD13 LEU A 18 27.406 4.804 16.755 1.00 0.00 H new ATOM 0 HD21 LEU A 18 28.034 5.948 19.493 1.00 0.00 H new ATOM 0 HD22 LEU A 18 26.419 5.888 18.747 1.00 0.00 H new ATOM 0 HD23 LEU A 18 26.678 5.196 20.366 1.00 0.00 H new ATOM 262 N ARG A 19 23.170 2.617 19.389 1.00 0.00 N ATOM 263 CA ARG A 19 21.858 2.113 18.950 1.00 0.00 C ATOM 264 C ARG A 19 21.455 2.769 17.628 1.00 0.00 C ATOM 265 O ARG A 19 21.594 3.983 17.472 1.00 0.00 O ATOM 266 CB ARG A 19 20.816 2.365 20.056 1.00 0.00 C ATOM 267 CG ARG A 19 19.593 1.435 19.992 1.00 0.00 C ATOM 268 CD ARG A 19 19.957 -0.019 20.328 1.00 0.00 C ATOM 269 NE ARG A 19 18.765 -0.811 20.690 1.00 0.00 N ATOM 270 CZ ARG A 19 18.735 -1.880 21.470 1.00 0.00 C ATOM 271 NH1 ARG A 19 19.821 -2.411 21.960 1.00 0.00 N1+ ATOM 272 NH2 ARG A 19 17.603 -2.440 21.782 1.00 0.00 N ATOM 0 H ARG A 19 23.173 3.622 19.563 1.00 0.00 H new ATOM 0 HA ARG A 19 21.914 1.039 18.775 1.00 0.00 H new ATOM 0 HB2 ARG A 19 21.297 2.248 21.027 1.00 0.00 H new ATOM 0 HB3 ARG A 19 20.476 3.399 19.991 1.00 0.00 H new ATOM 0 HG2 ARG A 19 18.832 1.788 20.688 1.00 0.00 H new ATOM 0 HG3 ARG A 19 19.157 1.478 18.994 1.00 0.00 H new ATOM 0 HD2 ARG A 19 20.452 -0.477 19.472 1.00 0.00 H new ATOM 0 HD3 ARG A 19 20.669 -0.034 21.154 1.00 0.00 H new ATOM 0 HE ARG A 19 17.874 -0.503 20.300 1.00 0.00 H new ATOM 0 HH11 ARG A 19 20.730 -2.002 21.745 1.00 0.00 H new ATOM 0 HH12 ARG A 19 19.761 -3.235 22.558 1.00 0.00 H new ATOM 0 HH21 ARG A 19 16.728 -2.056 21.425 1.00 0.00 H new ATOM 0 HH22 ARG A 19 17.590 -3.264 22.384 1.00 0.00 H new ATOM 286 N ARG A 20 20.963 1.954 16.691 1.00 0.00 N ATOM 287 CA ARG A 20 20.566 2.332 15.321 1.00 0.00 C ATOM 288 C ARG A 20 19.038 2.346 15.204 1.00 0.00 C ATOM 289 O ARG A 20 18.360 1.537 15.842 1.00 0.00 O ATOM 290 CB ARG A 20 21.189 1.324 14.330 1.00 0.00 C ATOM 291 CG ARG A 20 22.720 1.462 14.224 1.00 0.00 C ATOM 292 CD ARG A 20 23.418 0.182 13.749 1.00 0.00 C ATOM 293 NE ARG A 20 23.089 -0.161 12.351 1.00 0.00 N ATOM 294 CZ ARG A 20 23.262 -1.337 11.769 1.00 0.00 C ATOM 295 NH1 ARG A 20 23.724 -2.371 12.417 1.00 0.00 N1+ ATOM 296 NH2 ARG A 20 22.973 -1.500 10.512 1.00 0.00 N ATOM 0 H ARG A 20 20.821 0.960 16.871 1.00 0.00 H new ATOM 0 HA ARG A 20 20.927 3.333 15.087 1.00 0.00 H new ATOM 0 HB2 ARG A 20 20.941 0.310 14.645 1.00 0.00 H new ATOM 0 HB3 ARG A 20 20.746 1.469 13.345 1.00 0.00 H new ATOM 0 HG2 ARG A 20 22.957 2.273 13.535 1.00 0.00 H new ATOM 0 HG3 ARG A 20 23.120 1.744 15.198 1.00 0.00 H new ATOM 0 HD2 ARG A 20 24.497 0.304 13.845 1.00 0.00 H new ATOM 0 HD3 ARG A 20 23.132 -0.645 14.399 1.00 0.00 H new ATOM 0 HE ARG A 20 22.689 0.582 11.777 1.00 0.00 H new ATOM 0 HH11 ARG A 20 23.965 -2.288 13.405 1.00 0.00 H new ATOM 0 HH12 ARG A 20 23.844 -3.262 11.936 1.00 0.00 H new ATOM 0 HH21 ARG A 20 22.610 -0.718 9.967 1.00 0.00 H new ATOM 0 HH22 ARG A 20 23.109 -2.410 10.071 1.00 0.00 H new ATOM 310 N CYS A 21 18.509 3.238 14.367 1.00 0.00 N ATOM 311 CA CYS A 21 17.075 3.434 14.148 1.00 0.00 C ATOM 312 C CYS A 21 16.712 3.006 12.716 1.00 0.00 C ATOM 313 O CYS A 21 17.107 3.655 11.744 1.00 0.00 O ATOM 314 CB CYS A 21 16.748 4.903 14.462 1.00 0.00 C ATOM 315 SG CYS A 21 14.951 5.170 14.427 1.00 0.00 S ATOM 0 H CYS A 21 19.085 3.864 13.804 1.00 0.00 H new ATOM 0 HA CYS A 21 16.468 2.813 14.807 1.00 0.00 H new ATOM 0 HB2 CYS A 21 17.143 5.169 15.442 1.00 0.00 H new ATOM 0 HB3 CYS A 21 17.234 5.554 13.735 1.00 0.00 H new ATOM 320 N SER A 22 15.971 1.899 12.578 1.00 0.00 N ATOM 321 CA SER A 22 15.585 1.287 11.289 1.00 0.00 C ATOM 322 C SER A 22 14.686 2.176 10.401 1.00 0.00 C ATOM 323 O SER A 22 14.365 1.799 9.270 1.00 0.00 O ATOM 324 CB SER A 22 14.903 -0.065 11.553 1.00 0.00 C ATOM 325 OG SER A 22 14.891 -0.890 10.397 1.00 0.00 O ATOM 0 H SER A 22 15.610 1.385 13.382 1.00 0.00 H new ATOM 0 HA SER A 22 16.507 1.154 10.723 1.00 0.00 H new ATOM 0 HB2 SER A 22 15.422 -0.581 12.361 1.00 0.00 H new ATOM 0 HB3 SER A 22 13.880 0.105 11.888 1.00 0.00 H new ATOM 0 HG SER A 22 14.717 -0.340 9.605 1.00 0.00 H new ATOM 331 N GLN A 23 14.288 3.356 10.892 1.00 0.00 N ATOM 332 CA GLN A 23 13.422 4.325 10.210 1.00 0.00 C ATOM 333 C GLN A 23 14.072 5.722 10.049 1.00 0.00 C ATOM 334 O GLN A 23 13.514 6.569 9.345 1.00 0.00 O ATOM 335 CB GLN A 23 12.086 4.384 10.982 1.00 0.00 C ATOM 336 CG GLN A 23 10.867 4.721 10.112 1.00 0.00 C ATOM 337 CD GLN A 23 10.434 3.549 9.229 1.00 0.00 C ATOM 338 OE1 GLN A 23 11.005 3.268 8.183 1.00 0.00 O ATOM 339 NE2 GLN A 23 9.399 2.825 9.603 1.00 0.00 N ATOM 0 H GLN A 23 14.574 3.676 11.817 1.00 0.00 H new ATOM 0 HA GLN A 23 13.250 3.992 9.186 1.00 0.00 H new ATOM 0 HB2 GLN A 23 11.917 3.422 11.466 1.00 0.00 H new ATOM 0 HB3 GLN A 23 12.170 5.129 11.773 1.00 0.00 H new ATOM 0 HG2 GLN A 23 10.036 5.014 10.754 1.00 0.00 H new ATOM 0 HG3 GLN A 23 11.101 5.579 9.482 1.00 0.00 H new ATOM 0 HE21 GLN A 23 8.911 3.044 10.471 1.00 0.00 H new ATOM 0 HE22 GLN A 23 9.086 2.046 9.024 1.00 0.00 H new ATOM 348 N CYS A 24 15.262 5.945 10.635 1.00 0.00 N ATOM 349 CA CYS A 24 15.951 7.247 10.685 1.00 0.00 C ATOM 350 C CYS A 24 17.447 7.181 10.284 1.00 0.00 C ATOM 351 O CYS A 24 18.001 8.169 9.796 1.00 0.00 O ATOM 352 CB CYS A 24 15.832 7.836 12.104 1.00 0.00 C ATOM 353 SG CYS A 24 14.134 7.824 12.759 1.00 0.00 S ATOM 0 H CYS A 24 15.786 5.203 11.100 1.00 0.00 H new ATOM 0 HA CYS A 24 15.459 7.883 9.950 1.00 0.00 H new ATOM 0 HB2 CYS A 24 16.476 7.271 12.778 1.00 0.00 H new ATOM 0 HB3 CYS A 24 16.201 8.861 12.095 1.00 0.00 H new ATOM 358 N GLY A 25 18.114 6.041 10.495 1.00 0.00 N ATOM 359 CA GLY A 25 19.523 5.796 10.144 1.00 0.00 C ATOM 360 C GLY A 25 20.573 6.407 11.088 1.00 0.00 C ATOM 361 O GLY A 25 21.757 6.105 10.943 1.00 0.00 O ATOM 0 H GLY A 25 17.673 5.231 10.931 1.00 0.00 H new ATOM 0 HA2 GLY A 25 19.684 4.719 10.104 1.00 0.00 H new ATOM 0 HA3 GLY A 25 19.698 6.182 9.140 1.00 0.00 H new ATOM 365 N ILE A 26 20.170 7.251 12.045 1.00 0.00 N ATOM 366 CA ILE A 26 21.036 7.871 13.068 1.00 0.00 C ATOM 367 C ILE A 26 21.600 6.846 14.079 1.00 0.00 C ATOM 368 O ILE A 26 21.029 5.766 14.263 1.00 0.00 O ATOM 369 CB ILE A 26 20.260 9.027 13.747 1.00 0.00 C ATOM 370 CG1 ILE A 26 21.186 9.936 14.585 1.00 0.00 C ATOM 371 CG2 ILE A 26 19.069 8.506 14.576 1.00 0.00 C ATOM 372 CD1 ILE A 26 20.583 11.310 14.904 1.00 0.00 C ATOM 0 H ILE A 26 19.195 7.535 12.136 1.00 0.00 H new ATOM 0 HA ILE A 26 21.919 8.282 12.580 1.00 0.00 H new ATOM 0 HB ILE A 26 19.851 9.645 12.947 1.00 0.00 H new ATOM 0 HG12 ILE A 26 21.427 9.430 15.520 1.00 0.00 H new ATOM 0 HG13 ILE A 26 22.124 10.077 14.048 1.00 0.00 H new ATOM 0 HG21 ILE A 26 18.550 9.347 15.036 1.00 0.00 H new ATOM 0 HG22 ILE A 26 18.380 7.967 13.925 1.00 0.00 H new ATOM 0 HG23 ILE A 26 19.433 7.835 15.354 1.00 0.00 H new ATOM 0 HD11 ILE A 26 21.292 11.890 15.495 1.00 0.00 H new ATOM 0 HD12 ILE A 26 20.368 11.837 13.975 1.00 0.00 H new ATOM 0 HD13 ILE A 26 19.660 11.180 15.470 1.00 0.00 H new ATOM 384 N LEU A 27 22.705 7.196 14.754 1.00 0.00 N ATOM 385 CA LEU A 27 23.335 6.412 15.826 1.00 0.00 C ATOM 386 C LEU A 27 23.553 7.277 17.077 1.00 0.00 C ATOM 387 O LEU A 27 24.165 8.345 16.991 1.00 0.00 O ATOM 388 CB LEU A 27 24.686 5.820 15.375 1.00 0.00 C ATOM 389 CG LEU A 27 24.592 4.630 14.405 1.00 0.00 C ATOM 390 CD1 LEU A 27 24.461 5.056 12.943 1.00 0.00 C ATOM 391 CD2 LEU A 27 25.844 3.756 14.510 1.00 0.00 C ATOM 0 H LEU A 27 23.203 8.065 14.561 1.00 0.00 H new ATOM 0 HA LEU A 27 22.657 5.592 16.065 1.00 0.00 H new ATOM 0 HB2 LEU A 27 25.269 6.609 14.900 1.00 0.00 H new ATOM 0 HB3 LEU A 27 25.239 5.503 16.260 1.00 0.00 H new ATOM 0 HG LEU A 27 23.694 4.085 14.696 1.00 0.00 H new ATOM 0 HD11 LEU A 27 24.399 4.171 12.310 1.00 0.00 H new ATOM 0 HD12 LEU A 27 23.559 5.655 12.818 1.00 0.00 H new ATOM 0 HD13 LEU A 27 25.331 5.647 12.657 1.00 0.00 H new ATOM 0 HD21 LEU A 27 25.762 2.918 13.817 1.00 0.00 H new ATOM 0 HD22 LEU A 27 26.724 4.349 14.260 1.00 0.00 H new ATOM 0 HD23 LEU A 27 25.939 3.377 15.528 1.00 0.00 H new ATOM 403 N LEU A 28 23.091 6.794 18.236 1.00 0.00 N ATOM 404 CA LEU A 28 23.193 7.460 19.546 1.00 0.00 C ATOM 405 C LEU A 28 23.798 6.495 20.594 1.00 0.00 C ATOM 406 O LEU A 28 23.589 5.284 20.473 1.00 0.00 O ATOM 407 CB LEU A 28 21.796 7.915 20.039 1.00 0.00 C ATOM 408 CG LEU A 28 20.984 8.964 19.251 1.00 0.00 C ATOM 409 CD1 LEU A 28 21.806 10.175 18.820 1.00 0.00 C ATOM 410 CD2 LEU A 28 20.254 8.385 18.040 1.00 0.00 C ATOM 0 H LEU A 28 22.616 5.893 18.293 1.00 0.00 H new ATOM 0 HA LEU A 28 23.838 8.330 19.428 1.00 0.00 H new ATOM 0 HB2 LEU A 28 21.176 7.021 20.115 1.00 0.00 H new ATOM 0 HB3 LEU A 28 21.923 8.302 21.050 1.00 0.00 H new ATOM 0 HG LEU A 28 20.237 9.301 19.969 1.00 0.00 H new ATOM 0 HD11 LEU A 28 21.170 10.870 18.271 1.00 0.00 H new ATOM 0 HD12 LEU A 28 22.211 10.672 19.701 1.00 0.00 H new ATOM 0 HD13 LEU A 28 22.625 9.849 18.179 1.00 0.00 H new ATOM 0 HD21 LEU A 28 19.704 9.178 17.533 1.00 0.00 H new ATOM 0 HD22 LEU A 28 20.979 7.950 17.352 1.00 0.00 H new ATOM 0 HD23 LEU A 28 19.558 7.614 18.369 1.00 0.00 H new ATOM 422 N PRO A 29 24.512 6.986 21.631 1.00 0.00 N ATOM 423 CA PRO A 29 25.136 6.134 22.650 1.00 0.00 C ATOM 424 C PRO A 29 24.124 5.497 23.621 1.00 0.00 C ATOM 425 O PRO A 29 23.985 4.276 23.646 1.00 0.00 O ATOM 426 CB PRO A 29 26.159 7.033 23.359 1.00 0.00 C ATOM 427 CG PRO A 29 25.620 8.451 23.159 1.00 0.00 C ATOM 428 CD PRO A 29 24.920 8.374 21.804 1.00 0.00 C ATOM 0 HA PRO A 29 25.615 5.268 22.192 1.00 0.00 H new ATOM 0 HB2 PRO A 29 26.241 6.784 24.417 1.00 0.00 H new ATOM 0 HB3 PRO A 29 27.154 6.921 22.927 1.00 0.00 H new ATOM 0 HG2 PRO A 29 24.929 8.734 23.953 1.00 0.00 H new ATOM 0 HG3 PRO A 29 26.422 9.189 23.156 1.00 0.00 H new ATOM 0 HD2 PRO A 29 24.057 9.039 21.774 1.00 0.00 H new ATOM 0 HD3 PRO A 29 25.590 8.685 21.002 1.00 0.00 H new ATOM 436 N LEU A 30 23.415 6.315 24.411 1.00 0.00 N ATOM 437 CA LEU A 30 22.427 5.893 25.421 1.00 0.00 C ATOM 438 C LEU A 30 21.603 7.087 25.961 1.00 0.00 C ATOM 439 O LEU A 30 20.385 7.070 25.784 1.00 0.00 O ATOM 440 CB LEU A 30 23.134 5.081 26.539 1.00 0.00 C ATOM 441 CG LEU A 30 22.315 4.817 27.819 1.00 0.00 C ATOM 442 CD1 LEU A 30 21.054 3.995 27.551 1.00 0.00 C ATOM 443 CD2 LEU A 30 23.178 4.051 28.823 1.00 0.00 C ATOM 0 H LEU A 30 23.516 7.329 24.364 1.00 0.00 H new ATOM 0 HA LEU A 30 21.697 5.236 24.948 1.00 0.00 H new ATOM 0 HB2 LEU A 30 23.437 4.120 26.123 1.00 0.00 H new ATOM 0 HB3 LEU A 30 24.046 5.609 26.820 1.00 0.00 H new ATOM 0 HG LEU A 30 22.012 5.788 28.210 1.00 0.00 H new ATOM 0 HD11 LEU A 30 20.516 3.839 28.486 1.00 0.00 H new ATOM 0 HD12 LEU A 30 20.414 4.529 26.849 1.00 0.00 H new ATOM 0 HD13 LEU A 30 21.332 3.030 27.127 1.00 0.00 H new ATOM 0 HD21 LEU A 30 22.602 3.863 29.729 1.00 0.00 H new ATOM 0 HD22 LEU A 30 23.488 3.102 28.386 1.00 0.00 H new ATOM 0 HD23 LEU A 30 24.060 4.642 29.070 1.00 0.00 H new ATOM 455 N PRO A 31 22.193 8.146 26.564 1.00 0.00 N ATOM 456 CA PRO A 31 21.400 9.257 27.103 1.00 0.00 C ATOM 457 C PRO A 31 20.784 10.152 26.014 1.00 0.00 C ATOM 458 O PRO A 31 19.624 10.546 26.138 1.00 0.00 O ATOM 459 CB PRO A 31 22.341 10.025 28.040 1.00 0.00 C ATOM 460 CG PRO A 31 23.739 9.691 27.527 1.00 0.00 C ATOM 461 CD PRO A 31 23.586 8.275 26.979 1.00 0.00 C ATOM 0 HA PRO A 31 20.529 8.881 27.640 1.00 0.00 H new ATOM 0 HB2 PRO A 31 22.150 11.098 28.004 1.00 0.00 H new ATOM 0 HB3 PRO A 31 22.212 9.713 29.076 1.00 0.00 H new ATOM 0 HG2 PRO A 31 24.060 10.389 26.754 1.00 0.00 H new ATOM 0 HG3 PRO A 31 24.481 9.735 28.324 1.00 0.00 H new ATOM 0 HD2 PRO A 31 24.259 8.108 26.138 1.00 0.00 H new ATOM 0 HD3 PRO A 31 23.836 7.535 27.739 1.00 0.00 H new ATOM 469 N ILE A 32 21.504 10.427 24.914 1.00 0.00 N ATOM 470 CA ILE A 32 20.966 11.190 23.767 1.00 0.00 C ATOM 471 C ILE A 32 19.888 10.390 23.008 1.00 0.00 C ATOM 472 O ILE A 32 18.959 10.982 22.450 1.00 0.00 O ATOM 473 CB ILE A 32 22.096 11.692 22.829 1.00 0.00 C ATOM 474 CG1 ILE A 32 23.125 12.569 23.589 1.00 0.00 C ATOM 475 CG2 ILE A 32 21.529 12.539 21.674 1.00 0.00 C ATOM 476 CD1 ILE A 32 24.402 11.812 23.968 1.00 0.00 C ATOM 0 H ILE A 32 22.472 10.130 24.791 1.00 0.00 H new ATOM 0 HA ILE A 32 20.476 12.077 24.167 1.00 0.00 H new ATOM 0 HB ILE A 32 22.584 10.798 22.440 1.00 0.00 H new ATOM 0 HG12 ILE A 32 23.389 13.426 22.970 1.00 0.00 H new ATOM 0 HG13 ILE A 32 22.661 12.960 24.494 1.00 0.00 H new ATOM 0 HG21 ILE A 32 22.345 12.876 21.035 1.00 0.00 H new ATOM 0 HG22 ILE A 32 20.834 11.937 21.088 1.00 0.00 H new ATOM 0 HG23 ILE A 32 21.006 13.405 22.080 1.00 0.00 H new ATOM 0 HD11 ILE A 32 25.079 12.483 24.497 1.00 0.00 H new ATOM 0 HD12 ILE A 32 24.148 10.970 24.612 1.00 0.00 H new ATOM 0 HD13 ILE A 32 24.888 11.444 23.065 1.00 0.00 H new ATOM 488 N LEU A 33 19.936 9.049 23.046 1.00 0.00 N ATOM 489 CA LEU A 33 18.880 8.198 22.478 1.00 0.00 C ATOM 490 C LEU A 33 17.506 8.496 23.088 1.00 0.00 C ATOM 491 O LEU A 33 16.517 8.375 22.379 1.00 0.00 O ATOM 492 CB LEU A 33 19.228 6.703 22.638 1.00 0.00 C ATOM 493 CG LEU A 33 18.262 5.742 21.908 1.00 0.00 C ATOM 494 CD1 LEU A 33 18.353 5.830 20.384 1.00 0.00 C ATOM 495 CD2 LEU A 33 18.549 4.300 22.324 1.00 0.00 C ATOM 0 H LEU A 33 20.704 8.527 23.469 1.00 0.00 H new ATOM 0 HA LEU A 33 18.824 8.432 21.415 1.00 0.00 H new ATOM 0 HB2 LEU A 33 20.239 6.536 22.265 1.00 0.00 H new ATOM 0 HB3 LEU A 33 19.235 6.455 23.699 1.00 0.00 H new ATOM 0 HG LEU A 33 17.257 6.047 22.199 1.00 0.00 H new ATOM 0 HD11 LEU A 33 17.648 5.129 19.936 1.00 0.00 H new ATOM 0 HD12 LEU A 33 18.111 6.843 20.063 1.00 0.00 H new ATOM 0 HD13 LEU A 33 19.365 5.581 20.065 1.00 0.00 H new ATOM 0 HD21 LEU A 33 17.864 3.629 21.806 1.00 0.00 H new ATOM 0 HD22 LEU A 33 19.576 4.044 22.063 1.00 0.00 H new ATOM 0 HD23 LEU A 33 18.412 4.198 23.400 1.00 0.00 H new ATOM 507 N ASN A 34 17.418 8.928 24.351 1.00 0.00 N ATOM 508 CA ASN A 34 16.143 9.263 24.993 1.00 0.00 C ATOM 509 C ASN A 34 15.357 10.347 24.220 1.00 0.00 C ATOM 510 O ASN A 34 14.143 10.223 24.051 1.00 0.00 O ATOM 511 CB ASN A 34 16.426 9.674 26.451 1.00 0.00 C ATOM 512 CG ASN A 34 15.172 9.761 27.312 1.00 0.00 C ATOM 513 OD1 ASN A 34 14.204 9.032 27.139 1.00 0.00 O ATOM 514 ND2 ASN A 34 15.154 10.641 28.288 1.00 0.00 N ATOM 0 H ASN A 34 18.229 9.055 24.956 1.00 0.00 H new ATOM 0 HA ASN A 34 15.496 8.386 24.983 1.00 0.00 H new ATOM 0 HB2 ASN A 34 17.114 8.955 26.896 1.00 0.00 H new ATOM 0 HB3 ASN A 34 16.929 10.641 26.457 1.00 0.00 H new ATOM 0 HD21 ASN A 34 14.337 10.713 28.895 1.00 0.00 H new ATOM 0 HD22 ASN A 34 15.957 11.252 28.439 1.00 0.00 H new ATOM 521 N GLN A 35 16.049 11.365 23.686 1.00 0.00 N ATOM 522 CA GLN A 35 15.444 12.405 22.844 1.00 0.00 C ATOM 523 C GLN A 35 14.997 11.859 21.478 1.00 0.00 C ATOM 524 O GLN A 35 13.881 12.155 21.046 1.00 0.00 O ATOM 525 CB GLN A 35 16.424 13.580 22.670 1.00 0.00 C ATOM 526 CG GLN A 35 15.784 14.754 21.907 1.00 0.00 C ATOM 527 CD GLN A 35 16.733 15.941 21.770 1.00 0.00 C ATOM 528 OE1 GLN A 35 16.640 16.939 22.473 1.00 0.00 O ATOM 529 NE2 GLN A 35 17.683 15.888 20.857 1.00 0.00 N ATOM 0 H GLN A 35 17.051 11.489 23.828 1.00 0.00 H new ATOM 0 HA GLN A 35 14.547 12.761 23.351 1.00 0.00 H new ATOM 0 HB2 GLN A 35 16.757 13.923 23.650 1.00 0.00 H new ATOM 0 HB3 GLN A 35 17.309 13.238 22.134 1.00 0.00 H new ATOM 0 HG2 GLN A 35 15.481 14.418 20.916 1.00 0.00 H new ATOM 0 HG3 GLN A 35 14.880 15.072 22.426 1.00 0.00 H new ATOM 0 HE21 GLN A 35 17.774 15.064 20.263 1.00 0.00 H new ATOM 0 HE22 GLN A 35 18.327 16.671 20.745 1.00 0.00 H new ATOM 538 N HIS A 36 15.826 11.047 20.802 1.00 0.00 N ATOM 539 CA HIS A 36 15.399 10.412 19.550 1.00 0.00 C ATOM 540 C HIS A 36 14.205 9.485 19.791 1.00 0.00 C ATOM 541 O HIS A 36 13.225 9.568 19.066 1.00 0.00 O ATOM 542 CB HIS A 36 16.536 9.650 18.849 1.00 0.00 C ATOM 543 CG HIS A 36 16.130 9.217 17.453 1.00 0.00 C ATOM 544 ND1 HIS A 36 16.130 10.025 16.342 1.00 0.00 N ATOM 545 CD2 HIS A 36 15.587 8.015 17.066 1.00 0.00 C ATOM 546 CE1 HIS A 36 15.609 9.339 15.314 1.00 0.00 C ATOM 547 NE2 HIS A 36 15.241 8.093 15.697 1.00 0.00 N ATOM 0 H HIS A 36 16.776 10.819 21.095 1.00 0.00 H new ATOM 0 HA HIS A 36 15.097 11.218 18.881 1.00 0.00 H new ATOM 0 HB2 HIS A 36 17.421 10.284 18.793 1.00 0.00 H new ATOM 0 HB3 HIS A 36 16.808 8.775 19.439 1.00 0.00 H new ATOM 0 HD1 HIS A 36 16.470 10.986 16.305 1.00 0.00 H new ATOM 0 HD2 HIS A 36 15.448 7.153 17.702 1.00 0.00 H new ATOM 0 HE1 HIS A 36 15.498 9.729 14.313 1.00 0.00 H new ATOM 555 N GLN A 37 14.251 8.652 20.832 1.00 0.00 N ATOM 556 CA GLN A 37 13.225 7.668 21.163 1.00 0.00 C ATOM 557 C GLN A 37 11.848 8.318 21.322 1.00 0.00 C ATOM 558 O GLN A 37 10.921 7.903 20.634 1.00 0.00 O ATOM 559 CB GLN A 37 13.659 6.894 22.421 1.00 0.00 C ATOM 560 CG GLN A 37 12.760 5.698 22.780 1.00 0.00 C ATOM 561 CD GLN A 37 12.674 4.628 21.688 1.00 0.00 C ATOM 562 OE1 GLN A 37 11.605 4.181 21.300 1.00 0.00 O ATOM 563 NE2 GLN A 37 13.783 4.164 21.148 1.00 0.00 N ATOM 0 H GLN A 37 15.031 8.646 21.489 1.00 0.00 H new ATOM 0 HA GLN A 37 13.124 6.961 20.340 1.00 0.00 H new ATOM 0 HB2 GLN A 37 14.678 6.535 22.277 1.00 0.00 H new ATOM 0 HB3 GLN A 37 13.680 7.582 23.266 1.00 0.00 H new ATOM 0 HG2 GLN A 37 13.134 5.238 23.695 1.00 0.00 H new ATOM 0 HG3 GLN A 37 11.756 6.064 22.994 1.00 0.00 H new ATOM 0 HE21 GLN A 37 14.688 4.521 21.455 1.00 0.00 H new ATOM 0 HE22 GLN A 37 13.736 3.448 20.423 1.00 0.00 H new ATOM 572 N GLU A 38 11.701 9.364 22.145 1.00 0.00 N ATOM 573 CA GLU A 38 10.401 10.038 22.300 1.00 0.00 C ATOM 574 C GLU A 38 9.896 10.694 20.999 1.00 0.00 C ATOM 575 O GLU A 38 8.706 10.603 20.693 1.00 0.00 O ATOM 576 CB GLU A 38 10.400 11.024 23.485 1.00 0.00 C ATOM 577 CG GLU A 38 11.298 12.258 23.326 1.00 0.00 C ATOM 578 CD GLU A 38 11.170 13.200 24.538 1.00 0.00 C ATOM 579 OE1 GLU A 38 11.730 12.901 25.621 1.00 0.00 O1- ATOM 580 OE2 GLU A 38 10.507 14.262 24.416 1.00 0.00 O ATOM 0 H GLU A 38 12.454 9.760 22.708 1.00 0.00 H new ATOM 0 HA GLU A 38 9.683 9.252 22.533 1.00 0.00 H new ATOM 0 HB2 GLU A 38 9.377 11.361 23.652 1.00 0.00 H new ATOM 0 HB3 GLU A 38 10.709 10.486 24.381 1.00 0.00 H new ATOM 0 HG2 GLU A 38 12.336 11.944 23.214 1.00 0.00 H new ATOM 0 HG3 GLU A 38 11.027 12.793 22.416 1.00 0.00 H new ATOM 587 N LYS A 39 10.784 11.307 20.201 1.00 0.00 N ATOM 588 CA LYS A 39 10.419 12.013 18.960 1.00 0.00 C ATOM 589 C LYS A 39 10.058 11.037 17.832 1.00 0.00 C ATOM 590 O LYS A 39 9.016 11.191 17.197 1.00 0.00 O ATOM 591 CB LYS A 39 11.574 12.966 18.593 1.00 0.00 C ATOM 592 CG LYS A 39 11.186 14.133 17.665 1.00 0.00 C ATOM 593 CD LYS A 39 11.072 13.829 16.162 1.00 0.00 C ATOM 594 CE LYS A 39 12.403 13.336 15.574 1.00 0.00 C ATOM 595 NZ LYS A 39 12.377 13.336 14.088 1.00 0.00 N1+ ATOM 0 H LYS A 39 11.784 11.328 20.399 1.00 0.00 H new ATOM 0 HA LYS A 39 9.515 12.603 19.115 1.00 0.00 H new ATOM 0 HB2 LYS A 39 11.992 13.376 19.512 1.00 0.00 H new ATOM 0 HB3 LYS A 39 12.364 12.388 18.114 1.00 0.00 H new ATOM 0 HG2 LYS A 39 10.228 14.529 18.003 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.922 14.926 17.794 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.303 13.074 16.002 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.752 14.727 15.633 1.00 0.00 H new ATOM 0 HE2 LYS A 39 13.215 13.973 15.924 1.00 0.00 H new ATOM 0 HE3 LYS A 39 12.610 12.329 15.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 13.291 12.998 13.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 11.618 12.708 13.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 12.204 14.302 13.744 1.00 0.00 H new ATOM 609 N CYS A 40 10.882 10.010 17.630 1.00 0.00 N ATOM 610 CA CYS A 40 10.703 8.914 16.676 1.00 0.00 C ATOM 611 C CYS A 40 9.414 8.120 16.990 1.00 0.00 C ATOM 612 O CYS A 40 8.588 7.912 16.097 1.00 0.00 O ATOM 613 CB CYS A 40 11.997 8.073 16.740 1.00 0.00 C ATOM 614 SG CYS A 40 12.259 6.985 15.313 1.00 0.00 S ATOM 0 H CYS A 40 11.747 9.914 18.161 1.00 0.00 H new ATOM 0 HA CYS A 40 10.559 9.267 15.655 1.00 0.00 H new ATOM 0 HB2 CYS A 40 12.849 8.747 16.828 1.00 0.00 H new ATOM 0 HB3 CYS A 40 11.976 7.466 17.645 1.00 0.00 H new ATOM 619 N ARG A 41 9.167 7.787 18.272 1.00 0.00 N ATOM 620 CA ARG A 41 7.898 7.202 18.755 1.00 0.00 C ATOM 621 C ARG A 41 6.695 8.087 18.443 1.00 0.00 C ATOM 622 O ARG A 41 5.724 7.598 17.869 1.00 0.00 O ATOM 623 CB ARG A 41 7.957 6.945 20.274 1.00 0.00 C ATOM 624 CG ARG A 41 8.785 5.707 20.662 1.00 0.00 C ATOM 625 CD ARG A 41 7.982 4.402 20.592 1.00 0.00 C ATOM 626 NE ARG A 41 6.938 4.353 21.638 1.00 0.00 N ATOM 627 CZ ARG A 41 5.930 3.503 21.721 1.00 0.00 C ATOM 628 NH1 ARG A 41 5.757 2.546 20.853 1.00 0.00 N1+ ATOM 629 NH2 ARG A 41 5.068 3.601 22.693 1.00 0.00 N ATOM 0 H ARG A 41 9.854 7.919 19.014 1.00 0.00 H new ATOM 0 HA ARG A 41 7.772 6.258 18.225 1.00 0.00 H new ATOM 0 HB2 ARG A 41 8.379 7.822 20.765 1.00 0.00 H new ATOM 0 HB3 ARG A 41 6.942 6.825 20.653 1.00 0.00 H new ATOM 0 HG2 ARG A 41 9.648 5.632 20.000 1.00 0.00 H new ATOM 0 HG3 ARG A 41 9.170 5.837 21.674 1.00 0.00 H new ATOM 0 HD2 ARG A 41 7.519 4.310 19.609 1.00 0.00 H new ATOM 0 HD3 ARG A 41 8.655 3.552 20.708 1.00 0.00 H new ATOM 0 HE ARG A 41 7.003 5.053 22.377 1.00 0.00 H new ATOM 0 HH11 ARG A 41 6.412 2.435 20.079 1.00 0.00 H new ATOM 0 HH12 ARG A 41 4.967 1.908 20.948 1.00 0.00 H new ATOM 0 HH21 ARG A 41 5.170 4.336 23.393 1.00 0.00 H new ATOM 0 HH22 ARG A 41 4.291 2.943 22.754 1.00 0.00 H new ATOM 643 N TRP A 42 6.742 9.373 18.798 1.00 0.00 N ATOM 644 CA TRP A 42 5.622 10.297 18.584 1.00 0.00 C ATOM 645 C TRP A 42 5.295 10.464 17.094 1.00 0.00 C ATOM 646 O TRP A 42 4.133 10.360 16.700 1.00 0.00 O ATOM 647 CB TRP A 42 5.926 11.646 19.252 1.00 0.00 C ATOM 648 CG TRP A 42 4.742 12.548 19.419 1.00 0.00 C ATOM 649 CD1 TRP A 42 3.999 12.648 20.545 1.00 0.00 C ATOM 650 CD2 TRP A 42 4.137 13.473 18.458 1.00 0.00 C ATOM 651 NE1 TRP A 42 2.981 13.561 20.353 1.00 0.00 N ATOM 652 CE2 TRP A 42 3.013 14.096 19.084 1.00 0.00 C ATOM 653 CE3 TRP A 42 4.418 13.852 17.125 1.00 0.00 C ATOM 654 CZ2 TRP A 42 2.207 15.035 18.423 1.00 0.00 C ATOM 655 CZ3 TRP A 42 3.613 14.793 16.452 1.00 0.00 C ATOM 656 CH2 TRP A 42 2.510 15.383 17.096 1.00 0.00 C ATOM 0 H TRP A 42 7.554 9.804 19.241 1.00 0.00 H new ATOM 0 HA TRP A 42 4.732 9.872 19.048 1.00 0.00 H new ATOM 0 HB2 TRP A 42 6.363 11.459 20.233 1.00 0.00 H new ATOM 0 HB3 TRP A 42 6.680 12.166 18.661 1.00 0.00 H new ATOM 0 HD1 TRP A 42 4.175 12.097 21.457 1.00 0.00 H new ATOM 0 HE1 TRP A 42 2.291 13.808 21.062 1.00 0.00 H new ATOM 0 HE3 TRP A 42 5.263 13.414 16.615 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 1.365 15.484 18.928 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 3.845 15.064 15.433 1.00 0.00 H new ATOM 0 HH2 TRP A 42 1.898 16.102 16.572 1.00 0.00 H new ATOM 667 N LEU A 43 6.316 10.639 16.248 1.00 0.00 N ATOM 668 CA LEU A 43 6.160 10.776 14.800 1.00 0.00 C ATOM 669 C LEU A 43 5.618 9.492 14.143 1.00 0.00 C ATOM 670 O LEU A 43 4.691 9.567 13.334 1.00 0.00 O ATOM 671 CB LEU A 43 7.518 11.199 14.208 1.00 0.00 C ATOM 672 CG LEU A 43 7.476 11.595 12.723 1.00 0.00 C ATOM 673 CD1 LEU A 43 6.606 12.832 12.474 1.00 0.00 C ATOM 674 CD2 LEU A 43 8.887 11.920 12.237 1.00 0.00 C ATOM 0 H LEU A 43 7.287 10.690 16.557 1.00 0.00 H new ATOM 0 HA LEU A 43 5.413 11.542 14.590 1.00 0.00 H new ATOM 0 HB2 LEU A 43 7.904 12.040 14.784 1.00 0.00 H new ATOM 0 HB3 LEU A 43 8.224 10.378 14.331 1.00 0.00 H new ATOM 0 HG LEU A 43 7.050 10.749 12.184 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.609 13.071 11.410 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.585 12.630 12.798 1.00 0.00 H new ATOM 0 HD13 LEU A 43 7.004 13.676 13.037 1.00 0.00 H new ATOM 0 HD21 LEU A 43 8.854 12.200 11.184 1.00 0.00 H new ATOM 0 HD22 LEU A 43 9.291 12.747 12.820 1.00 0.00 H new ATOM 0 HD23 LEU A 43 9.525 11.044 12.359 1.00 0.00 H new ATOM 686 N ALA A 44 6.143 8.318 14.515 1.00 0.00 N ATOM 687 CA ALA A 44 5.671 7.021 14.022 1.00 0.00 C ATOM 688 C ALA A 44 4.256 6.671 14.521 1.00 0.00 C ATOM 689 O ALA A 44 3.476 6.082 13.774 1.00 0.00 O ATOM 690 CB ALA A 44 6.683 5.941 14.425 1.00 0.00 C ATOM 0 H ALA A 44 6.917 8.243 15.175 1.00 0.00 H new ATOM 0 HA ALA A 44 5.596 7.075 12.936 1.00 0.00 H new ATOM 0 HB1 ALA A 44 6.343 4.971 14.064 1.00 0.00 H new ATOM 0 HB2 ALA A 44 7.654 6.171 13.987 1.00 0.00 H new ATOM 0 HB3 ALA A 44 6.772 5.913 15.511 1.00 0.00 H new ATOM 696 N SER A 45 3.892 7.071 15.744 1.00 0.00 N ATOM 697 CA SER A 45 2.525 6.951 16.278 1.00 0.00 C ATOM 698 C SER A 45 1.535 7.863 15.535 1.00 0.00 C ATOM 699 O SER A 45 0.427 7.447 15.185 1.00 0.00 O ATOM 700 CB SER A 45 2.535 7.281 17.777 1.00 0.00 C ATOM 701 OG SER A 45 1.256 7.064 18.351 1.00 0.00 O ATOM 0 H SER A 45 4.546 7.494 16.403 1.00 0.00 H new ATOM 0 HA SER A 45 2.189 5.925 16.127 1.00 0.00 H new ATOM 0 HB2 SER A 45 3.276 6.663 18.285 1.00 0.00 H new ATOM 0 HB3 SER A 45 2.832 8.319 17.923 1.00 0.00 H new ATOM 0 HG SER A 45 1.286 7.279 19.307 1.00 0.00 H new ATOM 707 N SER A 46 1.952 9.097 15.237 1.00 0.00 N ATOM 708 CA SER A 46 1.175 10.086 14.478 1.00 0.00 C ATOM 709 C SER A 46 1.019 9.741 12.983 1.00 0.00 C ATOM 710 O SER A 46 0.044 10.158 12.351 1.00 0.00 O ATOM 711 CB SER A 46 1.844 11.456 14.646 1.00 0.00 C ATOM 712 OG SER A 46 1.032 12.475 14.088 1.00 0.00 O ATOM 0 H SER A 46 2.866 9.447 15.525 1.00 0.00 H new ATOM 0 HA SER A 46 0.162 10.090 14.880 1.00 0.00 H new ATOM 0 HB2 SER A 46 2.015 11.657 15.704 1.00 0.00 H new ATOM 0 HB3 SER A 46 2.820 11.453 14.160 1.00 0.00 H new ATOM 0 HG SER A 46 1.471 13.343 14.204 1.00 0.00 H new ATOM 718 N LYS A 47 1.954 8.956 12.414 1.00 0.00 N ATOM 719 CA LYS A 47 2.062 8.615 10.974 1.00 0.00 C ATOM 720 C LYS A 47 2.073 9.853 10.049 1.00 0.00 C ATOM 721 O LYS A 47 1.632 9.786 8.899 1.00 0.00 O ATOM 722 CB LYS A 47 0.972 7.586 10.580 1.00 0.00 C ATOM 723 CG LYS A 47 1.005 6.242 11.330 1.00 0.00 C ATOM 724 CD LYS A 47 2.183 5.350 10.904 1.00 0.00 C ATOM 725 CE LYS A 47 2.160 3.987 11.614 1.00 0.00 C ATOM 726 NZ LYS A 47 1.074 3.101 11.113 1.00 0.00 N1+ ATOM 0 H LYS A 47 2.691 8.520 12.968 1.00 0.00 H new ATOM 0 HA LYS A 47 3.036 8.150 10.825 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.005 8.043 10.739 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.060 7.385 9.512 1.00 0.00 H new ATOM 0 HG2 LYS A 47 1.067 6.431 12.402 1.00 0.00 H new ATOM 0 HG3 LYS A 47 0.070 5.710 11.154 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.150 5.197 9.825 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.121 5.858 11.126 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.121 3.492 11.475 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.033 4.141 12.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.102 2.195 11.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 0.153 3.558 11.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 1.207 2.929 10.096 1.00 0.00 H new ATOM 740 N GLY A 48 2.545 11.000 10.554 1.00 0.00 N ATOM 741 CA GLY A 48 2.422 12.305 9.888 1.00 0.00 C ATOM 742 C GLY A 48 3.308 12.462 8.644 1.00 0.00 C ATOM 743 O GLY A 48 2.818 12.853 7.580 1.00 0.00 O ATOM 0 H GLY A 48 3.030 11.049 11.450 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.382 12.457 9.601 1.00 0.00 H new ATOM 0 HA3 GLY A 48 2.674 13.090 10.601 1.00 0.00 H new ATOM 747 N LYS A 49 4.600 12.122 8.756 1.00 0.00 N ATOM 748 CA LYS A 49 5.538 12.049 7.616 1.00 0.00 C ATOM 749 C LYS A 49 5.366 10.726 6.848 1.00 0.00 C ATOM 750 O LYS A 49 4.884 9.738 7.407 1.00 0.00 O ATOM 751 CB LYS A 49 6.988 12.217 8.126 1.00 0.00 C ATOM 752 CG LYS A 49 7.874 12.970 7.118 1.00 0.00 C ATOM 753 CD LYS A 49 9.362 12.885 7.495 1.00 0.00 C ATOM 754 CE LYS A 49 10.240 13.900 6.744 1.00 0.00 C ATOM 755 NZ LYS A 49 10.165 13.760 5.265 1.00 0.00 N1+ ATOM 0 H LYS A 49 5.032 11.886 9.649 1.00 0.00 H new ATOM 0 HA LYS A 49 5.317 12.859 6.921 1.00 0.00 H new ATOM 0 HB2 LYS A 49 6.978 12.757 9.073 1.00 0.00 H new ATOM 0 HB3 LYS A 49 7.418 11.235 8.323 1.00 0.00 H new ATOM 0 HG2 LYS A 49 7.727 12.553 6.122 1.00 0.00 H new ATOM 0 HG3 LYS A 49 7.569 14.015 7.075 1.00 0.00 H new ATOM 0 HD2 LYS A 49 9.468 13.048 8.568 1.00 0.00 H new ATOM 0 HD3 LYS A 49 9.725 11.878 7.288 1.00 0.00 H new ATOM 0 HE2 LYS A 49 9.936 14.909 7.023 1.00 0.00 H new ATOM 0 HE3 LYS A 49 11.276 13.780 7.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 10.778 14.471 4.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 10.481 12.808 4.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 9.184 13.903 4.952 1.00 0.00 H new ATOM 769 N GLN A 50 5.825 10.682 5.596 1.00 0.00 N ATOM 770 CA GLN A 50 5.838 9.482 4.745 1.00 0.00 C ATOM 771 C GLN A 50 7.277 9.134 4.333 1.00 0.00 C ATOM 772 O GLN A 50 7.852 9.734 3.419 1.00 0.00 O ATOM 773 CB GLN A 50 4.916 9.660 3.526 1.00 0.00 C ATOM 774 CG GLN A 50 3.429 9.727 3.921 1.00 0.00 C ATOM 775 CD GLN A 50 2.479 9.774 2.720 1.00 0.00 C ATOM 776 OE1 GLN A 50 2.811 9.441 1.587 1.00 0.00 O ATOM 777 NE2 GLN A 50 1.244 10.187 2.916 1.00 0.00 N ATOM 0 H GLN A 50 6.210 11.503 5.129 1.00 0.00 H new ATOM 0 HA GLN A 50 5.447 8.642 5.319 1.00 0.00 H new ATOM 0 HB2 GLN A 50 5.190 10.572 2.996 1.00 0.00 H new ATOM 0 HB3 GLN A 50 5.069 8.832 2.834 1.00 0.00 H new ATOM 0 HG2 GLN A 50 3.185 8.859 4.534 1.00 0.00 H new ATOM 0 HG3 GLN A 50 3.265 10.610 4.539 1.00 0.00 H new ATOM 0 HE21 GLN A 50 0.943 10.470 3.849 1.00 0.00 H new ATOM 0 HE22 GLN A 50 0.589 10.224 2.135 1.00 0.00 H new ATOM 786 N VAL A 51 7.877 8.190 5.061 1.00 0.00 N ATOM 787 CA VAL A 51 9.241 7.675 4.828 1.00 0.00 C ATOM 788 C VAL A 51 9.347 6.848 3.535 1.00 0.00 C ATOM 789 O VAL A 51 8.347 6.336 3.022 1.00 0.00 O ATOM 790 CB VAL A 51 9.732 6.853 6.039 1.00 0.00 C ATOM 791 CG1 VAL A 51 9.739 7.716 7.309 1.00 0.00 C ATOM 792 CG2 VAL A 51 8.893 5.594 6.297 1.00 0.00 C ATOM 0 H VAL A 51 7.418 7.745 5.856 1.00 0.00 H new ATOM 0 HA VAL A 51 9.888 8.544 4.705 1.00 0.00 H new ATOM 0 HB VAL A 51 10.743 6.531 5.791 1.00 0.00 H new ATOM 0 HG11 VAL A 51 10.088 7.120 8.152 1.00 0.00 H new ATOM 0 HG12 VAL A 51 10.404 8.567 7.167 1.00 0.00 H new ATOM 0 HG13 VAL A 51 8.730 8.074 7.511 1.00 0.00 H new ATOM 0 HG21 VAL A 51 9.291 5.062 7.161 1.00 0.00 H new ATOM 0 HG22 VAL A 51 7.859 5.879 6.491 1.00 0.00 H new ATOM 0 HG23 VAL A 51 8.932 4.945 5.422 1.00 0.00 H new ATOM 802 N ARG A 52 10.575 6.675 3.024 1.00 0.00 N ATOM 803 CA ARG A 52 10.884 5.901 1.809 1.00 0.00 C ATOM 804 C ARG A 52 11.331 4.476 2.169 1.00 0.00 C ATOM 805 O ARG A 52 12.513 4.226 2.412 1.00 0.00 O ATOM 806 CB ARG A 52 11.930 6.667 0.972 1.00 0.00 C ATOM 807 CG ARG A 52 12.183 6.062 -0.422 1.00 0.00 C ATOM 808 CD ARG A 52 11.027 6.324 -1.400 1.00 0.00 C ATOM 809 NE ARG A 52 11.286 5.733 -2.730 1.00 0.00 N ATOM 810 CZ ARG A 52 12.078 6.202 -3.681 1.00 0.00 C ATOM 811 NH1 ARG A 52 12.765 7.301 -3.542 1.00 0.00 N1+ ATOM 812 NH2 ARG A 52 12.198 5.562 -4.809 1.00 0.00 N ATOM 0 H ARG A 52 11.405 7.081 3.456 1.00 0.00 H new ATOM 0 HA ARG A 52 9.988 5.790 1.199 1.00 0.00 H new ATOM 0 HB2 ARG A 52 11.601 7.699 0.854 1.00 0.00 H new ATOM 0 HB3 ARG A 52 12.871 6.693 1.521 1.00 0.00 H new ATOM 0 HG2 ARG A 52 13.103 6.478 -0.833 1.00 0.00 H new ATOM 0 HG3 ARG A 52 12.335 4.987 -0.325 1.00 0.00 H new ATOM 0 HD2 ARG A 52 10.105 5.910 -0.992 1.00 0.00 H new ATOM 0 HD3 ARG A 52 10.875 7.398 -1.503 1.00 0.00 H new ATOM 0 HE ARG A 52 10.797 4.862 -2.939 1.00 0.00 H new ATOM 0 HH11 ARG A 52 12.704 7.835 -2.675 1.00 0.00 H new ATOM 0 HH12 ARG A 52 13.364 7.627 -4.300 1.00 0.00 H new ATOM 0 HH21 ARG A 52 11.681 4.696 -4.962 1.00 0.00 H new ATOM 0 HH22 ARG A 52 12.809 5.927 -5.540 1.00 0.00 H new ATOM 826 N ASN A 53 10.378 3.548 2.221 1.00 0.00 N ATOM 827 CA ASN A 53 10.605 2.124 2.494 1.00 0.00 C ATOM 828 C ASN A 53 9.595 1.242 1.725 1.00 0.00 C ATOM 829 O ASN A 53 8.496 1.697 1.390 1.00 0.00 O ATOM 830 CB ASN A 53 10.529 1.918 4.023 1.00 0.00 C ATOM 831 CG ASN A 53 10.891 0.508 4.455 1.00 0.00 C ATOM 832 OD1 ASN A 53 10.060 -0.261 4.916 1.00 0.00 O ATOM 833 ND2 ASN A 53 12.137 0.114 4.302 1.00 0.00 N ATOM 0 H ASN A 53 9.394 3.770 2.070 1.00 0.00 H new ATOM 0 HA ASN A 53 11.590 1.818 2.142 1.00 0.00 H new ATOM 0 HB2 ASN A 53 11.200 2.624 4.512 1.00 0.00 H new ATOM 0 HB3 ASN A 53 9.520 2.148 4.364 1.00 0.00 H new ATOM 0 HD21 ASN A 53 12.409 -0.832 4.568 1.00 0.00 H new ATOM 0 HD22 ASN A 53 12.831 0.755 3.917 1.00 0.00 H new ATOM 840 N PHE A 54 9.956 -0.018 1.458 1.00 0.00 N ATOM 841 CA PHE A 54 9.149 -0.986 0.701 1.00 0.00 C ATOM 842 C PHE A 54 8.782 -2.215 1.555 1.00 0.00 C ATOM 843 O PHE A 54 9.520 -2.602 2.468 1.00 0.00 O ATOM 844 CB PHE A 54 9.896 -1.386 -0.585 1.00 0.00 C ATOM 845 CG PHE A 54 11.224 -2.095 -0.371 1.00 0.00 C ATOM 846 CD1 PHE A 54 11.269 -3.499 -0.256 1.00 0.00 C ATOM 847 CD2 PHE A 54 12.419 -1.354 -0.282 1.00 0.00 C ATOM 848 CE1 PHE A 54 12.495 -4.154 -0.039 1.00 0.00 C ATOM 849 CE2 PHE A 54 13.645 -2.009 -0.064 1.00 0.00 C ATOM 850 CZ PHE A 54 13.683 -3.409 0.060 1.00 0.00 C ATOM 0 H PHE A 54 10.846 -0.406 1.772 1.00 0.00 H new ATOM 0 HA PHE A 54 8.207 -0.514 0.424 1.00 0.00 H new ATOM 0 HB2 PHE A 54 9.248 -2.034 -1.175 1.00 0.00 H new ATOM 0 HB3 PHE A 54 10.074 -0.488 -1.177 1.00 0.00 H new ATOM 0 HD1 PHE A 54 10.358 -4.074 -0.335 1.00 0.00 H new ATOM 0 HD2 PHE A 54 12.394 -0.279 -0.382 1.00 0.00 H new ATOM 0 HE1 PHE A 54 12.523 -5.230 0.052 1.00 0.00 H new ATOM 0 HE2 PHE A 54 14.558 -1.436 0.008 1.00 0.00 H new ATOM 0 HZ PHE A 54 14.624 -3.911 0.231 1.00 0.00 H new ATOM 860 N SER A 55 7.631 -2.829 1.249 1.00 0.00 N ATOM 861 CA SER A 55 7.037 -3.957 1.996 1.00 0.00 C ATOM 862 C SER A 55 7.412 -5.321 1.404 1.00 0.00 C ATOM 863 O SER A 55 7.186 -5.540 0.190 1.00 0.00 O ATOM 864 CB SER A 55 5.511 -3.816 2.045 1.00 0.00 C ATOM 865 OG SER A 55 5.157 -2.566 2.622 1.00 0.00 O ATOM 866 OXT SER A 55 7.924 -6.176 2.161 1.00 0.00 O1- ATOM 0 H SER A 55 7.065 -2.548 0.448 1.00 0.00 H new ATOM 0 HA SER A 55 7.446 -3.917 3.005 1.00 0.00 H new ATOM 0 HB2 SER A 55 5.098 -3.892 1.039 1.00 0.00 H new ATOM 0 HB3 SER A 55 5.081 -4.630 2.628 1.00 0.00 H new ATOM 0 HG SER A 55 4.181 -2.483 2.648 1.00 0.00 H new TER 872 SER A 55 HETATM 873 ZN ZN A 101 14.068 6.936 14.521 1.00 0.00 ZN