USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 755 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 16 HIS : no HE2:sc= 0.246 K(o=-0.17,f=-3.2) USER MOD Set 1.2: A 21 ASN : amide:sc= -0.419 K(o=-0.17,f=0.79) USER MOD Set 2.1: A 10 TYR OH : rot 47:sc= 0.361 USER MOD Set 2.2: A 45 HIS : no HD1:sc= -0.534 K(o=-0.17,f=0.76) USER MOD Single : A 1 GLU N :NH3+ 179:sc= 0.852! (180deg=0.739) USER MOD Single : A 8 THR OG1 : rot -147:sc= 0.143 USER MOD Single : A 14 GLN : amide:sc= -1.63 K(o=-1.6,f=0.85) USER MOD Single : A 18 LYS NZ :NH3+ 169:sc= -0.0273 (180deg=-0.193) USER MOD Single : A 19 HIS : no HD1:sc= 0.146 K(o=0.15,f=-2.1!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 89:sc= 0.442 USER MOD Single : A 39 TYR OH : rot 151:sc= 0.022 USER MOD Single : A 42 THR OG1 : rot 170:sc= 0 USER MOD Single : A 43 TYR OH : rot 25:sc= 0.425 USER MOD Single : A 44 TYR OH : rot 59:sc= 0.102 USER MOD Single : A 48 LYS NZ :NH3+ -114:sc= -1.45 (180deg=-3.38!) USER MOD Single : A 50 TYR OH : rot 24:sc= 0.645 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 75:sc= 1.09 USER MOD Single : A 63 TYR OH : rot -158:sc= -0.345 USER MOD Single : A 65 GLN : amide:sc= -1.12 K(o=-1.1,f=-0.11) USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.336 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -1.47 K(o=-1.5,f=-0.44) USER MOD Single : A 86 LYS NZ :NH3+ -122:sc= 1.24 (180deg=-0.0665) USER MOD Single : A 88 LYS NZ :NH3+ -126:sc= -0.0564 (180deg=-1.47) USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 95 HIS : no HD1:sc= -0.059 K(o=-0.059,f=-0.75) USER MOD Single : A 96 HIS : no HD1:sc=-0.00181 X(o=-0.0018,f=-0.21) USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 99 HIS : no HE2:sc= 1.01 K(o=1,f=-3.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 1.168 2.216 -2.891 1.00 11.20 N ATOM 2 CA GLU A 1 2.478 1.506 -2.907 1.00 65.13 C ATOM 3 C GLU A 1 2.424 0.253 -3.798 1.00 42.11 C ATOM 4 O GLU A 1 3.367 -0.539 -3.831 1.00 60.24 O ATOM 5 CB GLU A 1 2.900 1.101 -1.480 1.00 71.34 C ATOM 6 CG GLU A 1 2.871 2.233 -0.451 1.00 63.41 C ATOM 7 CD GLU A 1 1.459 2.617 -0.033 1.00 14.54 C ATOM 8 OE1 GLU A 1 0.875 1.918 0.820 1.00 35.22 O ATOM 9 OE2 GLU A 1 0.921 3.608 -0.566 1.00 74.15 O ATOM 0 H1 GLU A 1 1.231 3.047 -2.269 1.00 11.20 H new ATOM 0 H2 GLU A 1 0.928 2.523 -3.855 1.00 11.20 H new ATOM 0 H3 GLU A 1 0.430 1.574 -2.538 1.00 11.20 H new ATOM 0 HA GLU A 1 3.215 2.197 -3.317 1.00 65.13 H new ATOM 0 HB2 GLU A 1 2.244 0.301 -1.137 1.00 71.34 H new ATOM 0 HB3 GLU A 1 3.909 0.691 -1.518 1.00 71.34 H new ATOM 0 HG2 GLU A 1 3.436 1.930 0.431 1.00 63.41 H new ATOM 0 HG3 GLU A 1 3.372 3.107 -0.866 1.00 63.41 H new ATOM 18 N ASP A 2 1.326 0.085 -4.531 1.00 31.43 N ATOM 19 CA ASP A 2 1.136 -1.086 -5.396 1.00 12.35 C ATOM 20 C ASP A 2 1.867 -0.918 -6.743 1.00 3.21 C ATOM 21 O ASP A 2 2.279 0.187 -7.096 1.00 3.23 O ATOM 22 CB ASP A 2 -0.363 -1.316 -5.641 1.00 1.31 C ATOM 23 CG ASP A 2 -1.102 -1.699 -4.374 1.00 61.43 C ATOM 24 OD1 ASP A 2 -0.989 -2.865 -3.949 1.00 50.31 O ATOM 25 OD2 ASP A 2 -1.801 -0.840 -3.798 1.00 23.52 O ATOM 0 H ASP A 2 0.549 0.746 -4.546 1.00 31.43 H new ATOM 0 HA ASP A 2 1.562 -1.951 -4.888 1.00 12.35 H new ATOM 0 HB2 ASP A 2 -0.804 -0.410 -6.056 1.00 1.31 H new ATOM 0 HB3 ASP A 2 -0.491 -2.102 -6.385 1.00 1.31 H new ATOM 30 N PRO A 3 2.041 -2.014 -7.521 1.00 22.23 N ATOM 31 CA PRO A 3 2.637 -1.944 -8.875 1.00 51.43 C ATOM 32 C PRO A 3 1.938 -0.923 -9.796 1.00 44.03 C ATOM 33 O PRO A 3 2.445 -0.589 -10.867 1.00 51.00 O ATOM 34 CB PRO A 3 2.459 -3.371 -9.412 1.00 75.52 C ATOM 35 CG PRO A 3 2.411 -4.226 -8.191 1.00 65.34 C ATOM 36 CD PRO A 3 1.709 -3.404 -7.143 1.00 21.21 C ATOM 0 HA PRO A 3 3.673 -1.608 -8.840 1.00 51.43 H new ATOM 0 HB2 PRO A 3 1.544 -3.464 -9.998 1.00 75.52 H new ATOM 0 HB3 PRO A 3 3.285 -3.656 -10.064 1.00 75.52 H new ATOM 0 HG2 PRO A 3 1.874 -5.154 -8.385 1.00 65.34 H new ATOM 0 HG3 PRO A 3 3.415 -4.500 -7.866 1.00 65.34 H new ATOM 0 HD2 PRO A 3 0.633 -3.577 -7.151 1.00 21.21 H new ATOM 0 HD3 PRO A 3 2.063 -3.644 -6.140 1.00 21.21 H new ATOM 44 N GLU A 4 0.766 -0.448 -9.375 1.00 13.44 N ATOM 45 CA GLU A 4 0.051 0.620 -10.081 1.00 22.01 C ATOM 46 C GLU A 4 0.814 1.954 -9.995 1.00 24.31 C ATOM 47 O GLU A 4 0.805 2.749 -10.937 1.00 74.33 O ATOM 48 CB GLU A 4 -1.353 0.782 -9.484 1.00 2.31 C ATOM 49 CG GLU A 4 -2.208 -0.479 -9.572 1.00 41.42 C ATOM 50 CD GLU A 4 -3.553 -0.329 -8.877 1.00 55.11 C ATOM 51 OE1 GLU A 4 -4.518 0.127 -9.524 1.00 33.14 O ATOM 52 OE2 GLU A 4 -3.648 -0.659 -7.676 1.00 45.12 O ATOM 0 H GLU A 4 0.287 -0.788 -8.541 1.00 13.44 H new ATOM 0 HA GLU A 4 -0.026 0.343 -11.132 1.00 22.01 H new ATOM 0 HB2 GLU A 4 -1.262 1.076 -8.438 1.00 2.31 H new ATOM 0 HB3 GLU A 4 -1.866 1.594 -9.999 1.00 2.31 H new ATOM 0 HG2 GLU A 4 -2.372 -0.729 -10.620 1.00 41.42 H new ATOM 0 HG3 GLU A 4 -1.665 -1.313 -9.127 1.00 41.42 H new ATOM 59 N ASP A 5 1.460 2.196 -8.855 1.00 73.32 N ATOM 60 CA ASP A 5 2.278 3.397 -8.662 1.00 41.51 C ATOM 61 C ASP A 5 3.520 3.383 -9.574 1.00 44.42 C ATOM 62 O ASP A 5 4.275 2.402 -9.584 1.00 0.32 O ATOM 63 CB ASP A 5 2.715 3.511 -7.198 1.00 34.34 C ATOM 64 CG ASP A 5 1.541 3.724 -6.262 1.00 0.24 C ATOM 65 OD1 ASP A 5 1.063 4.874 -6.162 1.00 42.34 O ATOM 66 OD2 ASP A 5 1.096 2.752 -5.618 1.00 1.11 O ATOM 0 H ASP A 5 1.433 1.574 -8.047 1.00 73.32 H new ATOM 0 HA ASP A 5 1.668 4.260 -8.928 1.00 41.51 H new ATOM 0 HB2 ASP A 5 3.248 2.605 -6.909 1.00 34.34 H new ATOM 0 HB3 ASP A 5 3.415 4.340 -7.094 1.00 34.34 H new ATOM 71 N PRO A 6 3.755 4.471 -10.344 1.00 64.12 N ATOM 72 CA PRO A 6 4.898 4.569 -11.272 1.00 74.23 C ATOM 73 C PRO A 6 6.239 4.225 -10.605 1.00 53.43 C ATOM 74 O PRO A 6 7.068 3.523 -11.183 1.00 71.51 O ATOM 75 CB PRO A 6 4.874 6.043 -11.736 1.00 1.51 C ATOM 76 CG PRO A 6 3.914 6.737 -10.823 1.00 40.21 C ATOM 77 CD PRO A 6 2.934 5.689 -10.376 1.00 41.34 C ATOM 0 HA PRO A 6 4.809 3.856 -12.092 1.00 74.23 H new ATOM 0 HB2 PRO A 6 5.866 6.490 -11.674 1.00 1.51 H new ATOM 0 HB3 PRO A 6 4.553 6.122 -12.775 1.00 1.51 H new ATOM 0 HG2 PRO A 6 4.434 7.174 -9.970 1.00 40.21 H new ATOM 0 HG3 PRO A 6 3.406 7.552 -11.338 1.00 40.21 H new ATOM 0 HD2 PRO A 6 2.513 5.919 -9.397 1.00 41.34 H new ATOM 0 HD3 PRO A 6 2.097 5.595 -11.069 1.00 41.34 H new ATOM 85 N PHE A 7 6.432 4.702 -9.377 1.00 51.04 N ATOM 86 CA PHE A 7 7.663 4.435 -8.623 1.00 2.30 C ATOM 87 C PHE A 7 7.823 2.934 -8.321 1.00 60.51 C ATOM 88 O PHE A 7 8.923 2.388 -8.402 1.00 25.24 O ATOM 89 CB PHE A 7 7.663 5.243 -7.317 1.00 12.45 C ATOM 90 CG PHE A 7 8.924 5.099 -6.501 1.00 41.55 C ATOM 91 CD1 PHE A 7 10.072 5.799 -6.844 1.00 54.01 C ATOM 92 CD2 PHE A 7 8.959 4.271 -5.386 1.00 22.11 C ATOM 93 CE1 PHE A 7 11.227 5.674 -6.095 1.00 43.34 C ATOM 94 CE2 PHE A 7 10.113 4.143 -4.635 1.00 13.40 C ATOM 95 CZ PHE A 7 11.247 4.846 -4.990 1.00 23.25 C ATOM 0 H PHE A 7 5.752 5.277 -8.879 1.00 51.04 H new ATOM 0 HA PHE A 7 8.509 4.743 -9.237 1.00 2.30 H new ATOM 0 HB2 PHE A 7 7.516 6.297 -7.555 1.00 12.45 H new ATOM 0 HB3 PHE A 7 6.813 4.931 -6.710 1.00 12.45 H new ATOM 0 HD1 PHE A 7 10.063 6.449 -7.706 1.00 54.01 H new ATOM 0 HD2 PHE A 7 8.074 3.721 -5.102 1.00 22.11 H new ATOM 0 HE1 PHE A 7 12.114 6.224 -6.374 1.00 43.34 H new ATOM 0 HE2 PHE A 7 10.127 3.494 -3.772 1.00 13.40 H new ATOM 0 HZ PHE A 7 12.149 4.748 -4.404 1.00 23.25 H new ATOM 105 N THR A 8 6.717 2.268 -7.989 1.00 14.30 N ATOM 106 CA THR A 8 6.749 0.836 -7.659 1.00 33.42 C ATOM 107 C THR A 8 7.032 -0.025 -8.900 1.00 64.54 C ATOM 108 O THR A 8 7.956 -0.835 -8.899 1.00 73.24 O ATOM 109 CB THR A 8 5.425 0.362 -7.011 1.00 2.24 C ATOM 110 OG1 THR A 8 5.139 1.146 -5.841 1.00 23.14 O ATOM 111 CG2 THR A 8 5.496 -1.114 -6.624 1.00 3.44 C ATOM 0 H THR A 8 5.790 2.691 -7.940 1.00 14.30 H new ATOM 0 HA THR A 8 7.559 0.710 -6.941 1.00 33.42 H new ATOM 0 HB THR A 8 4.630 0.492 -7.745 1.00 2.24 H new ATOM 0 HG1 THR A 8 4.686 0.587 -5.176 1.00 23.14 H new ATOM 0 HG21 THR A 8 4.552 -1.417 -6.172 1.00 3.44 H new ATOM 0 HG22 THR A 8 5.682 -1.715 -7.514 1.00 3.44 H new ATOM 0 HG23 THR A 8 6.305 -1.264 -5.910 1.00 3.44 H new ATOM 119 N ARG A 9 6.240 0.154 -9.960 1.00 62.21 N ATOM 120 CA ARG A 9 6.457 -0.591 -11.213 1.00 33.50 C ATOM 121 C ARG A 9 7.860 -0.318 -11.791 1.00 1.32 C ATOM 122 O ARG A 9 8.455 -1.180 -12.441 1.00 51.44 O ATOM 123 CB ARG A 9 5.347 -0.273 -12.238 1.00 72.42 C ATOM 124 CG ARG A 9 5.023 1.214 -12.379 1.00 33.54 C ATOM 125 CD ARG A 9 3.693 1.458 -13.108 1.00 1.32 C ATOM 126 NE ARG A 9 3.805 1.339 -14.564 1.00 60.12 N ATOM 127 CZ ARG A 9 3.514 0.259 -15.250 1.00 21.13 C ATOM 128 NH1 ARG A 9 3.122 -0.822 -14.652 1.00 22.13 N ATOM 129 NH2 ARG A 9 3.602 0.273 -16.541 1.00 54.41 N ATOM 0 H ARG A 9 5.450 0.799 -9.982 1.00 62.21 H new ATOM 0 HA ARG A 9 6.404 -1.656 -10.987 1.00 33.50 H new ATOM 0 HB2 ARG A 9 5.647 -0.661 -13.212 1.00 72.42 H new ATOM 0 HB3 ARG A 9 4.440 -0.804 -11.949 1.00 72.42 H new ATOM 0 HG2 ARG A 9 4.980 1.669 -11.389 1.00 33.54 H new ATOM 0 HG3 ARG A 9 5.828 1.708 -12.923 1.00 33.54 H new ATOM 0 HD2 ARG A 9 2.952 0.745 -12.747 1.00 1.32 H new ATOM 0 HD3 ARG A 9 3.326 2.453 -12.858 1.00 1.32 H new ATOM 0 HE ARG A 9 4.133 2.154 -15.082 1.00 60.12 H new ATOM 0 HH11 ARG A 9 3.036 -0.840 -13.636 1.00 22.13 H new ATOM 0 HH12 ARG A 9 2.899 -1.654 -15.198 1.00 22.13 H new ATOM 0 HH21 ARG A 9 3.897 1.122 -17.023 1.00 54.41 H new ATOM 0 HH22 ARG A 9 3.376 -0.565 -17.077 1.00 54.41 H new ATOM 143 N TYR A 10 8.392 0.874 -11.522 1.00 65.44 N ATOM 144 CA TYR A 10 9.772 1.209 -11.891 1.00 52.44 C ATOM 145 C TYR A 10 10.777 0.472 -10.983 1.00 25.12 C ATOM 146 O TYR A 10 11.792 -0.049 -11.452 1.00 35.13 O ATOM 147 CB TYR A 10 9.977 2.726 -11.793 1.00 11.13 C ATOM 148 CG TYR A 10 11.299 3.215 -12.354 1.00 54.01 C ATOM 149 CD1 TYR A 10 11.538 3.196 -13.723 1.00 53.23 C ATOM 150 CD2 TYR A 10 12.303 3.697 -11.521 1.00 72.51 C ATOM 151 CE1 TYR A 10 12.734 3.642 -14.245 1.00 53.21 C ATOM 152 CE2 TYR A 10 13.502 4.146 -12.040 1.00 35.35 C ATOM 153 CZ TYR A 10 13.711 4.114 -13.401 1.00 74.20 C ATOM 154 OH TYR A 10 14.900 4.560 -13.924 1.00 24.51 O ATOM 0 H TYR A 10 7.890 1.626 -11.050 1.00 65.44 H new ATOM 0 HA TYR A 10 9.948 0.888 -12.918 1.00 52.44 H new ATOM 0 HB2 TYR A 10 9.165 3.225 -12.321 1.00 11.13 H new ATOM 0 HB3 TYR A 10 9.907 3.023 -10.747 1.00 11.13 H new ATOM 0 HD1 TYR A 10 10.774 2.825 -14.390 1.00 53.23 H new ATOM 0 HD2 TYR A 10 12.143 3.721 -10.453 1.00 72.51 H new ATOM 0 HE1 TYR A 10 12.902 3.621 -15.312 1.00 53.21 H new ATOM 0 HE2 TYR A 10 14.272 4.520 -11.382 1.00 35.35 H new ATOM 0 HH TYR A 10 14.721 5.155 -14.682 1.00 24.51 H new ATOM 164 N ALA A 11 10.479 0.425 -9.683 1.00 74.21 N ATOM 165 CA ALA A 11 11.327 -0.278 -8.714 1.00 4.14 C ATOM 166 C ALA A 11 11.457 -1.770 -9.054 1.00 14.45 C ATOM 167 O ALA A 11 12.557 -2.323 -9.043 1.00 12.22 O ATOM 168 CB ALA A 11 10.780 -0.100 -7.299 1.00 31.41 C ATOM 0 H ALA A 11 9.655 0.866 -9.275 1.00 74.21 H new ATOM 0 HA ALA A 11 12.323 0.162 -8.766 1.00 4.14 H new ATOM 0 HB1 ALA A 11 11.421 -0.628 -6.592 1.00 31.41 H new ATOM 0 HB2 ALA A 11 10.759 0.960 -7.048 1.00 31.41 H new ATOM 0 HB3 ALA A 11 9.770 -0.506 -7.246 1.00 31.41 H new ATOM 174 N LEU A 12 10.330 -2.418 -9.364 1.00 4.20 N ATOM 175 CA LEU A 12 10.338 -3.830 -9.781 1.00 25.33 C ATOM 176 C LEU A 12 11.181 -4.031 -11.053 1.00 54.31 C ATOM 177 O LEU A 12 11.838 -5.062 -11.217 1.00 14.02 O ATOM 178 CB LEU A 12 8.901 -4.350 -9.998 1.00 75.21 C ATOM 179 CG LEU A 12 8.152 -4.806 -8.730 1.00 41.52 C ATOM 180 CD1 LEU A 12 8.895 -5.951 -8.052 1.00 5.32 C ATOM 181 CD2 LEU A 12 7.950 -3.649 -7.758 1.00 14.40 C ATOM 0 H LEU A 12 9.403 -1.993 -9.335 1.00 4.20 H new ATOM 0 HA LEU A 12 10.795 -4.408 -8.977 1.00 25.33 H new ATOM 0 HB2 LEU A 12 8.319 -3.563 -10.477 1.00 75.21 H new ATOM 0 HB3 LEU A 12 8.939 -5.187 -10.695 1.00 75.21 H new ATOM 0 HG LEU A 12 7.167 -5.161 -9.034 1.00 41.52 H new ATOM 0 HD11 LEU A 12 8.351 -6.259 -7.159 1.00 5.32 H new ATOM 0 HD12 LEU A 12 8.971 -6.793 -8.740 1.00 5.32 H new ATOM 0 HD13 LEU A 12 9.895 -5.620 -7.772 1.00 5.32 H new ATOM 0 HD21 LEU A 12 7.419 -4.004 -6.875 1.00 14.40 H new ATOM 0 HD22 LEU A 12 8.920 -3.249 -7.462 1.00 14.40 H new ATOM 0 HD23 LEU A 12 7.367 -2.865 -8.241 1.00 14.40 H new ATOM 193 N ALA A 13 11.161 -3.046 -11.950 1.00 1.43 N ATOM 194 CA ALA A 13 12.014 -3.074 -13.141 1.00 71.13 C ATOM 195 C ALA A 13 13.502 -3.140 -12.753 1.00 45.25 C ATOM 196 O ALA A 13 14.251 -3.982 -13.256 1.00 20.05 O ATOM 197 CB ALA A 13 11.737 -1.859 -14.018 1.00 31.42 C ATOM 0 H ALA A 13 10.566 -2.221 -11.877 1.00 1.43 H new ATOM 0 HA ALA A 13 11.778 -3.973 -13.710 1.00 71.13 H new ATOM 0 HB1 ALA A 13 12.378 -1.893 -14.899 1.00 31.42 H new ATOM 0 HB2 ALA A 13 10.692 -1.865 -14.329 1.00 31.42 H new ATOM 0 HB3 ALA A 13 11.943 -0.949 -13.454 1.00 31.42 H new ATOM 203 N GLN A 14 13.918 -2.257 -11.842 1.00 4.05 N ATOM 204 CA GLN A 14 15.298 -2.260 -11.334 1.00 10.03 C ATOM 205 C GLN A 14 15.612 -3.578 -10.608 1.00 70.12 C ATOM 206 O GLN A 14 16.704 -4.135 -10.744 1.00 14.14 O ATOM 207 CB GLN A 14 15.523 -1.081 -10.380 1.00 24.12 C ATOM 208 CG GLN A 14 15.179 0.278 -10.983 1.00 12.02 C ATOM 209 CD GLN A 14 15.523 1.440 -10.062 1.00 51.13 C ATOM 210 OE1 GLN A 14 14.856 2.465 -10.055 1.00 24.00 O ATOM 211 NE2 GLN A 14 16.583 1.300 -9.292 1.00 41.32 N ATOM 0 H GLN A 14 13.324 -1.532 -11.440 1.00 4.05 H new ATOM 0 HA GLN A 14 15.968 -2.161 -12.188 1.00 10.03 H new ATOM 0 HB2 GLN A 14 14.922 -1.232 -9.483 1.00 24.12 H new ATOM 0 HB3 GLN A 14 16.567 -1.074 -10.066 1.00 24.12 H new ATOM 0 HG2 GLN A 14 15.714 0.397 -11.925 1.00 12.02 H new ATOM 0 HG3 GLN A 14 14.114 0.308 -11.215 1.00 12.02 H new ATOM 0 HE21 GLN A 14 17.121 0.434 -9.318 1.00 41.32 H new ATOM 0 HE22 GLN A 14 16.865 2.058 -8.670 1.00 41.32 H new ATOM 220 N GLU A 15 14.641 -4.068 -9.837 1.00 2.45 N ATOM 221 CA GLU A 15 14.761 -5.360 -9.154 1.00 65.22 C ATOM 222 C GLU A 15 15.075 -6.486 -10.145 1.00 3.01 C ATOM 223 O GLU A 15 16.009 -7.260 -9.939 1.00 52.01 O ATOM 224 CB GLU A 15 13.467 -5.686 -8.388 1.00 10.23 C ATOM 225 CG GLU A 15 13.303 -4.913 -7.083 1.00 54.44 C ATOM 226 CD GLU A 15 14.273 -5.377 -6.006 1.00 73.03 C ATOM 227 OE1 GLU A 15 13.990 -6.405 -5.348 1.00 71.50 O ATOM 228 OE2 GLU A 15 15.323 -4.729 -5.818 1.00 10.34 O ATOM 0 H GLU A 15 13.757 -3.588 -9.668 1.00 2.45 H new ATOM 0 HA GLU A 15 15.587 -5.285 -8.447 1.00 65.22 H new ATOM 0 HB2 GLU A 15 12.613 -5.475 -9.032 1.00 10.23 H new ATOM 0 HB3 GLU A 15 13.446 -6.754 -8.170 1.00 10.23 H new ATOM 0 HG2 GLU A 15 13.456 -3.850 -7.272 1.00 54.44 H new ATOM 0 HG3 GLU A 15 12.281 -5.029 -6.722 1.00 54.44 H new ATOM 235 N HIS A 16 14.301 -6.571 -11.224 1.00 1.11 N ATOM 236 CA HIS A 16 14.506 -7.612 -12.234 1.00 34.12 C ATOM 237 C HIS A 16 15.913 -7.547 -12.850 1.00 35.23 C ATOM 238 O HIS A 16 16.532 -8.583 -13.084 1.00 32.45 O ATOM 239 CB HIS A 16 13.430 -7.538 -13.326 1.00 35.10 C ATOM 240 CG HIS A 16 12.107 -8.098 -12.896 1.00 23.24 C ATOM 241 ND1 HIS A 16 11.924 -9.429 -12.584 1.00 34.45 N ATOM 242 CD2 HIS A 16 10.899 -7.509 -12.727 1.00 3.34 C ATOM 243 CE1 HIS A 16 10.668 -9.632 -12.248 1.00 41.53 C ATOM 244 NE2 HIS A 16 10.024 -8.487 -12.325 1.00 31.01 N ATOM 0 H HIS A 16 13.528 -5.935 -11.423 1.00 1.11 H new ATOM 0 HA HIS A 16 14.417 -8.573 -11.727 1.00 34.12 H new ATOM 0 HB2 HIS A 16 13.297 -6.498 -13.625 1.00 35.10 H new ATOM 0 HB3 HIS A 16 13.777 -8.080 -14.206 1.00 35.10 H new ATOM 0 HD1 HIS A 16 12.650 -10.145 -12.610 1.00 34.45 H new ATOM 0 HD2 HIS A 16 10.668 -6.465 -12.880 1.00 3.34 H new ATOM 0 HE1 HIS A 16 10.238 -10.579 -11.958 1.00 41.53 H new ATOM 253 N LEU A 17 16.422 -6.338 -13.099 1.00 34.01 N ATOM 254 CA LEU A 17 17.808 -6.170 -13.578 1.00 23.22 C ATOM 255 C LEU A 17 18.803 -6.871 -12.638 1.00 22.21 C ATOM 256 O LEU A 17 19.707 -7.585 -13.078 1.00 31.14 O ATOM 257 CB LEU A 17 18.172 -4.679 -13.686 1.00 14.12 C ATOM 258 CG LEU A 17 17.459 -3.896 -14.799 1.00 51.21 C ATOM 259 CD1 LEU A 17 17.795 -2.409 -14.712 1.00 74.03 C ATOM 260 CD2 LEU A 17 17.837 -4.455 -16.171 1.00 34.31 C ATOM 0 H LEU A 17 15.907 -5.466 -12.980 1.00 34.01 H new ATOM 0 HA LEU A 17 17.871 -6.626 -14.566 1.00 23.22 H new ATOM 0 HB2 LEU A 17 17.951 -4.200 -12.732 1.00 14.12 H new ATOM 0 HB3 LEU A 17 19.248 -4.597 -13.842 1.00 14.12 H new ATOM 0 HG LEU A 17 16.383 -4.010 -14.665 1.00 51.21 H new ATOM 0 HD11 LEU A 17 17.280 -1.872 -15.509 1.00 74.03 H new ATOM 0 HD12 LEU A 17 17.474 -2.019 -13.746 1.00 74.03 H new ATOM 0 HD13 LEU A 17 18.871 -2.272 -14.819 1.00 74.03 H new ATOM 0 HD21 LEU A 17 17.323 -3.889 -16.948 1.00 34.31 H new ATOM 0 HD22 LEU A 17 18.914 -4.372 -16.313 1.00 34.31 H new ATOM 0 HD23 LEU A 17 17.543 -5.503 -16.231 1.00 34.31 H new ATOM 272 N LYS A 18 18.620 -6.659 -11.340 1.00 21.15 N ATOM 273 CA LYS A 18 19.463 -7.281 -10.316 1.00 30.30 C ATOM 274 C LYS A 18 19.202 -8.797 -10.219 1.00 71.04 C ATOM 275 O LYS A 18 20.133 -9.599 -10.105 1.00 3.10 O ATOM 276 CB LYS A 18 19.191 -6.612 -8.960 1.00 10.21 C ATOM 277 CG LYS A 18 19.357 -5.093 -8.981 1.00 4.01 C ATOM 278 CD LYS A 18 18.935 -4.449 -7.660 1.00 60.44 C ATOM 279 CE LYS A 18 19.812 -4.890 -6.493 1.00 75.40 C ATOM 280 NZ LYS A 18 21.240 -4.524 -6.695 1.00 64.44 N ATOM 0 H LYS A 18 17.888 -6.055 -10.965 1.00 21.15 H new ATOM 0 HA LYS A 18 20.507 -7.141 -10.595 1.00 30.30 H new ATOM 0 HB2 LYS A 18 18.177 -6.854 -8.642 1.00 10.21 H new ATOM 0 HB3 LYS A 18 19.867 -7.032 -8.215 1.00 10.21 H new ATOM 0 HG2 LYS A 18 20.398 -4.846 -9.188 1.00 4.01 H new ATOM 0 HG3 LYS A 18 18.763 -4.675 -9.793 1.00 4.01 H new ATOM 0 HD2 LYS A 18 18.981 -3.364 -7.756 1.00 60.44 H new ATOM 0 HD3 LYS A 18 17.897 -4.706 -7.449 1.00 60.44 H new ATOM 0 HE2 LYS A 18 19.448 -4.432 -5.573 1.00 75.40 H new ATOM 0 HE3 LYS A 18 19.730 -5.969 -6.366 1.00 75.40 H new ATOM 0 HZ1 LYS A 18 21.765 -4.671 -5.809 1.00 64.44 H new ATOM 0 HZ2 LYS A 18 21.649 -5.120 -7.443 1.00 64.44 H new ATOM 0 HZ3 LYS A 18 21.306 -3.524 -6.974 1.00 64.44 H new ATOM 294 N HIS A 19 17.929 -9.181 -10.308 1.00 11.55 N ATOM 295 CA HIS A 19 17.510 -10.580 -10.130 1.00 75.03 C ATOM 296 C HIS A 19 17.658 -11.410 -11.421 1.00 13.23 C ATOM 297 O HIS A 19 16.911 -12.366 -11.637 1.00 72.51 O ATOM 298 CB HIS A 19 16.055 -10.625 -9.643 1.00 62.55 C ATOM 299 CG HIS A 19 15.839 -9.949 -8.321 1.00 62.42 C ATOM 300 ND1 HIS A 19 16.657 -10.145 -7.229 1.00 42.13 N ATOM 301 CD2 HIS A 19 14.888 -9.074 -7.917 1.00 10.41 C ATOM 302 CE1 HIS A 19 16.220 -9.424 -6.216 1.00 44.01 C ATOM 303 NE2 HIS A 19 15.150 -8.765 -6.606 1.00 71.14 N ATOM 0 H HIS A 19 17.160 -8.540 -10.504 1.00 11.55 H new ATOM 0 HA HIS A 19 18.169 -11.026 -9.385 1.00 75.03 H new ATOM 0 HB2 HIS A 19 15.417 -10.154 -10.390 1.00 62.55 H new ATOM 0 HB3 HIS A 19 15.740 -11.665 -9.565 1.00 62.55 H new ATOM 0 HD2 HIS A 19 14.075 -8.691 -8.515 1.00 10.41 H new ATOM 0 HE1 HIS A 19 16.665 -9.381 -5.233 1.00 44.01 H new ATOM 0 HE2 HIS A 19 14.603 -8.127 -6.027 1.00 71.14 H new ATOM 312 N ASP A 20 18.618 -11.030 -12.270 1.00 14.23 N ATOM 313 CA ASP A 20 18.979 -11.811 -13.468 1.00 13.41 C ATOM 314 C ASP A 20 17.858 -11.807 -14.536 1.00 45.30 C ATOM 315 O ASP A 20 17.892 -12.578 -15.498 1.00 4.35 O ATOM 316 CB ASP A 20 19.342 -13.250 -13.058 1.00 43.24 C ATOM 317 CG ASP A 20 20.074 -14.006 -14.151 1.00 44.23 C ATOM 318 OD1 ASP A 20 21.236 -13.654 -14.439 1.00 24.14 O ATOM 319 OD2 ASP A 20 19.500 -14.957 -14.726 1.00 35.24 O ATOM 0 H ASP A 20 19.167 -10.178 -12.152 1.00 14.23 H new ATOM 0 HA ASP A 20 19.845 -11.335 -13.927 1.00 13.41 H new ATOM 0 HB2 ASP A 20 19.964 -13.222 -12.163 1.00 43.24 H new ATOM 0 HB3 ASP A 20 18.431 -13.789 -12.797 1.00 43.24 H new ATOM 324 N ASN A 21 16.880 -10.921 -14.377 1.00 54.51 N ATOM 325 CA ASN A 21 15.770 -10.802 -15.333 1.00 13.43 C ATOM 326 C ASN A 21 15.908 -9.541 -16.206 1.00 2.31 C ATOM 327 O ASN A 21 15.135 -8.587 -16.069 1.00 51.25 O ATOM 328 CB ASN A 21 14.430 -10.774 -14.588 1.00 62.31 C ATOM 329 CG ASN A 21 14.144 -12.045 -13.813 1.00 72.22 C ATOM 330 OD1 ASN A 21 13.562 -12.004 -12.737 1.00 1.10 O ATOM 331 ND2 ASN A 21 14.505 -13.179 -14.372 1.00 53.43 N ATOM 0 H ASN A 21 16.828 -10.270 -13.594 1.00 54.51 H new ATOM 0 HA ASN A 21 15.803 -11.672 -15.988 1.00 13.43 H new ATOM 0 HB2 ASN A 21 14.423 -9.929 -13.900 1.00 62.31 H new ATOM 0 HB3 ASN A 21 13.627 -10.607 -15.306 1.00 62.31 H new ATOM 0 HD21 ASN A 21 14.301 -14.064 -13.908 1.00 53.43 H new ATOM 0 HD22 ASN A 21 14.989 -13.174 -15.270 1.00 53.43 H new ATOM 338 N ALA A 22 16.891 -9.546 -17.103 1.00 71.30 N ATOM 339 CA ALA A 22 17.154 -8.399 -17.982 1.00 1.02 C ATOM 340 C ALA A 22 15.988 -8.131 -18.951 1.00 33.42 C ATOM 341 O ALA A 22 15.493 -7.006 -19.041 1.00 2.24 O ATOM 342 CB ALA A 22 18.447 -8.622 -18.758 1.00 63.32 C ATOM 0 H ALA A 22 17.524 -10.333 -17.244 1.00 71.30 H new ATOM 0 HA ALA A 22 17.257 -7.517 -17.350 1.00 1.02 H new ATOM 0 HB1 ALA A 22 18.634 -7.767 -19.407 1.00 63.32 H new ATOM 0 HB2 ALA A 22 19.276 -8.735 -18.059 1.00 63.32 H new ATOM 0 HB3 ALA A 22 18.357 -9.524 -19.363 1.00 63.32 H new ATOM 348 N SER A 23 15.547 -9.168 -19.667 1.00 13.42 N ATOM 349 CA SER A 23 14.437 -9.033 -20.627 1.00 14.21 C ATOM 350 C SER A 23 13.138 -8.611 -19.930 1.00 60.31 C ATOM 351 O SER A 23 12.396 -7.767 -20.439 1.00 0.21 O ATOM 352 CB SER A 23 14.208 -10.347 -21.385 1.00 64.42 C ATOM 353 OG SER A 23 15.323 -10.678 -22.194 1.00 50.11 O ATOM 0 H SER A 23 15.936 -10.109 -19.604 1.00 13.42 H new ATOM 0 HA SER A 23 14.719 -8.254 -21.335 1.00 14.21 H new ATOM 0 HB2 SER A 23 14.021 -11.151 -20.674 1.00 64.42 H new ATOM 0 HB3 SER A 23 13.318 -10.259 -22.008 1.00 64.42 H new ATOM 0 HG SER A 23 15.148 -11.521 -22.663 1.00 50.11 H new ATOM 359 N ARG A 24 12.870 -9.204 -18.766 1.00 1.31 N ATOM 360 CA ARG A 24 11.692 -8.846 -17.963 1.00 10.13 C ATOM 361 C ARG A 24 11.708 -7.359 -17.583 1.00 33.04 C ATOM 362 O ARG A 24 10.700 -6.663 -17.714 1.00 44.33 O ATOM 363 CB ARG A 24 11.631 -9.710 -16.696 1.00 1.05 C ATOM 364 CG ARG A 24 11.445 -11.198 -16.976 1.00 5.04 C ATOM 365 CD ARG A 24 10.115 -11.482 -17.669 1.00 14.53 C ATOM 366 NE ARG A 24 9.912 -12.908 -17.894 1.00 35.43 N ATOM 367 CZ ARG A 24 8.850 -13.422 -18.450 1.00 12.42 C ATOM 368 NH1 ARG A 24 7.874 -12.667 -18.843 1.00 61.40 N ATOM 369 NH2 ARG A 24 8.766 -14.699 -18.607 1.00 72.25 N ATOM 0 H ARG A 24 13.451 -9.935 -18.355 1.00 1.31 H new ATOM 0 HA ARG A 24 10.805 -9.032 -18.568 1.00 10.13 H new ATOM 0 HB2 ARG A 24 12.549 -9.569 -16.126 1.00 1.05 H new ATOM 0 HB3 ARG A 24 10.810 -9.362 -16.069 1.00 1.05 H new ATOM 0 HG2 ARG A 24 12.264 -11.556 -17.600 1.00 5.04 H new ATOM 0 HG3 ARG A 24 11.493 -11.753 -16.039 1.00 5.04 H new ATOM 0 HD2 ARG A 24 9.299 -11.091 -17.062 1.00 14.53 H new ATOM 0 HD3 ARG A 24 10.083 -10.956 -18.623 1.00 14.53 H new ATOM 0 HE ARG A 24 10.650 -13.546 -17.597 1.00 35.43 H new ATOM 0 HH11 ARG A 24 7.930 -11.656 -18.719 1.00 61.40 H new ATOM 0 HH12 ARG A 24 7.050 -13.083 -19.276 1.00 61.40 H new ATOM 0 HH21 ARG A 24 9.528 -15.302 -18.297 1.00 72.25 H new ATOM 0 HH22 ARG A 24 7.938 -15.106 -19.041 1.00 72.25 H new ATOM 383 N ALA A 25 12.862 -6.877 -17.121 1.00 34.35 N ATOM 384 CA ALA A 25 13.028 -5.460 -16.789 1.00 4.45 C ATOM 385 C ALA A 25 12.838 -4.572 -18.026 1.00 54.31 C ATOM 386 O ALA A 25 12.102 -3.584 -17.987 1.00 2.20 O ATOM 387 CB ALA A 25 14.398 -5.221 -16.171 1.00 1.23 C ATOM 0 H ALA A 25 13.695 -7.445 -16.968 1.00 34.35 H new ATOM 0 HA ALA A 25 12.260 -5.192 -16.063 1.00 4.45 H new ATOM 0 HB1 ALA A 25 14.509 -4.164 -15.929 1.00 1.23 H new ATOM 0 HB2 ALA A 25 14.495 -5.814 -15.261 1.00 1.23 H new ATOM 0 HB3 ALA A 25 15.173 -5.514 -16.879 1.00 1.23 H new ATOM 393 N LEU A 26 13.508 -4.934 -19.124 1.00 2.54 N ATOM 394 CA LEU A 26 13.371 -4.220 -20.399 1.00 4.23 C ATOM 395 C LEU A 26 11.895 -4.058 -20.792 1.00 41.21 C ATOM 396 O LEU A 26 11.450 -2.960 -21.118 1.00 4.21 O ATOM 397 CB LEU A 26 14.135 -4.966 -21.506 1.00 32.44 C ATOM 398 CG LEU A 26 14.114 -4.302 -22.895 1.00 71.44 C ATOM 399 CD1 LEU A 26 14.768 -2.923 -22.853 1.00 4.15 C ATOM 400 CD2 LEU A 26 14.803 -5.192 -23.924 1.00 15.11 C ATOM 0 H LEU A 26 14.155 -5.722 -19.156 1.00 2.54 H new ATOM 0 HA LEU A 26 13.797 -3.224 -20.276 1.00 4.23 H new ATOM 0 HB2 LEU A 26 15.173 -5.079 -21.193 1.00 32.44 H new ATOM 0 HB3 LEU A 26 13.719 -5.969 -21.597 1.00 32.44 H new ATOM 0 HG LEU A 26 13.073 -4.172 -23.192 1.00 71.44 H new ATOM 0 HD11 LEU A 26 14.740 -2.476 -23.847 1.00 4.15 H new ATOM 0 HD12 LEU A 26 14.228 -2.285 -22.153 1.00 4.15 H new ATOM 0 HD13 LEU A 26 15.804 -3.021 -22.529 1.00 4.15 H new ATOM 0 HD21 LEU A 26 14.778 -4.706 -24.900 1.00 15.11 H new ATOM 0 HD22 LEU A 26 15.839 -5.357 -23.627 1.00 15.11 H new ATOM 0 HD23 LEU A 26 14.285 -6.149 -23.982 1.00 15.11 H new ATOM 412 N ALA A 27 11.140 -5.155 -20.733 1.00 73.31 N ATOM 413 CA ALA A 27 9.705 -5.134 -21.050 1.00 63.32 C ATOM 414 C ALA A 27 8.942 -4.134 -20.165 1.00 35.41 C ATOM 415 O ALA A 27 8.041 -3.427 -20.632 1.00 71.01 O ATOM 416 CB ALA A 27 9.118 -6.531 -20.897 1.00 14.51 C ATOM 0 H ALA A 27 11.496 -6.073 -20.468 1.00 73.31 H new ATOM 0 HA ALA A 27 9.595 -4.808 -22.084 1.00 63.32 H new ATOM 0 HB1 ALA A 27 8.054 -6.507 -21.134 1.00 14.51 H new ATOM 0 HB2 ALA A 27 9.625 -7.215 -21.577 1.00 14.51 H new ATOM 0 HB3 ALA A 27 9.254 -6.872 -19.871 1.00 14.51 H new ATOM 422 N LEU A 28 9.300 -4.084 -18.882 1.00 23.40 N ATOM 423 CA LEU A 28 8.709 -3.119 -17.950 1.00 42.14 C ATOM 424 C LEU A 28 9.041 -1.676 -18.360 1.00 15.24 C ATOM 425 O LEU A 28 8.142 -0.850 -18.502 1.00 73.43 O ATOM 426 CB LEU A 28 9.186 -3.391 -16.514 1.00 53.43 C ATOM 427 CG LEU A 28 8.657 -4.693 -15.883 1.00 62.32 C ATOM 428 CD1 LEU A 28 9.286 -4.926 -14.514 1.00 15.44 C ATOM 429 CD2 LEU A 28 7.133 -4.662 -15.771 1.00 13.41 C ATOM 0 H LEU A 28 9.996 -4.700 -18.463 1.00 23.40 H new ATOM 0 HA LEU A 28 7.626 -3.240 -17.987 1.00 42.14 H new ATOM 0 HB2 LEU A 28 10.276 -3.420 -16.510 1.00 53.43 H new ATOM 0 HB3 LEU A 28 8.887 -2.553 -15.884 1.00 53.43 H new ATOM 0 HG LEU A 28 8.937 -5.520 -16.535 1.00 62.32 H new ATOM 0 HD11 LEU A 28 8.897 -5.851 -14.088 1.00 15.44 H new ATOM 0 HD12 LEU A 28 10.368 -5.001 -14.619 1.00 15.44 H new ATOM 0 HD13 LEU A 28 9.043 -4.093 -13.855 1.00 15.44 H new ATOM 0 HD21 LEU A 28 6.782 -5.592 -15.323 1.00 13.41 H new ATOM 0 HD22 LEU A 28 6.831 -3.821 -15.146 1.00 13.41 H new ATOM 0 HD23 LEU A 28 6.697 -4.551 -16.764 1.00 13.41 H new ATOM 441 N PHE A 29 10.327 -1.381 -18.567 1.00 52.30 N ATOM 442 CA PHE A 29 10.756 -0.038 -18.987 1.00 62.20 C ATOM 443 C PHE A 29 10.054 0.405 -20.287 1.00 33.32 C ATOM 444 O PHE A 29 9.510 1.509 -20.367 1.00 73.33 O ATOM 445 CB PHE A 29 12.277 0.011 -19.186 1.00 12.21 C ATOM 446 CG PHE A 29 13.083 -0.140 -17.919 1.00 13.14 C ATOM 447 CD1 PHE A 29 12.996 0.807 -16.909 1.00 41.40 C ATOM 448 CD2 PHE A 29 13.943 -1.215 -17.749 1.00 73.12 C ATOM 449 CE1 PHE A 29 13.749 0.683 -15.756 1.00 71.02 C ATOM 450 CE2 PHE A 29 14.695 -1.345 -16.596 1.00 20.43 C ATOM 451 CZ PHE A 29 14.599 -0.394 -15.599 1.00 61.34 C ATOM 0 H PHE A 29 11.089 -2.049 -18.452 1.00 52.30 H new ATOM 0 HA PHE A 29 10.473 0.650 -18.191 1.00 62.20 H new ATOM 0 HB2 PHE A 29 12.565 -0.779 -19.880 1.00 12.21 H new ATOM 0 HB3 PHE A 29 12.538 0.959 -19.656 1.00 12.21 H new ATOM 0 HD1 PHE A 29 12.332 1.651 -17.025 1.00 41.40 H new ATOM 0 HD2 PHE A 29 14.026 -1.960 -18.527 1.00 73.12 H new ATOM 0 HE1 PHE A 29 13.672 1.428 -14.978 1.00 71.02 H new ATOM 0 HE2 PHE A 29 15.357 -2.190 -16.475 1.00 20.43 H new ATOM 0 HZ PHE A 29 15.187 -0.492 -14.699 1.00 61.34 H new ATOM 461 N GLU A 30 10.070 -0.464 -21.300 1.00 31.23 N ATOM 462 CA GLU A 30 9.421 -0.173 -22.590 1.00 0.23 C ATOM 463 C GLU A 30 7.918 0.107 -22.410 1.00 72.35 C ATOM 464 O GLU A 30 7.334 0.920 -23.130 1.00 43.52 O ATOM 465 CB GLU A 30 9.626 -1.340 -23.573 1.00 21.25 C ATOM 466 CG GLU A 30 11.091 -1.624 -23.902 1.00 13.25 C ATOM 467 CD GLU A 30 11.268 -2.729 -24.937 1.00 42.54 C ATOM 468 OE1 GLU A 30 10.961 -3.902 -24.627 1.00 53.33 O ATOM 469 OE2 GLU A 30 11.713 -2.430 -26.066 1.00 24.52 O ATOM 0 H GLU A 30 10.524 -1.376 -21.257 1.00 31.23 H new ATOM 0 HA GLU A 30 9.887 0.723 -23.000 1.00 0.23 H new ATOM 0 HB2 GLU A 30 9.178 -2.240 -23.152 1.00 21.25 H new ATOM 0 HB3 GLU A 30 9.092 -1.121 -24.498 1.00 21.25 H new ATOM 0 HG2 GLU A 30 11.558 -0.711 -24.271 1.00 13.25 H new ATOM 0 HG3 GLU A 30 11.615 -1.903 -22.988 1.00 13.25 H new ATOM 476 N GLU A 31 7.301 -0.568 -21.442 1.00 31.14 N ATOM 477 CA GLU A 31 5.887 -0.350 -21.120 1.00 33.44 C ATOM 478 C GLU A 31 5.690 0.975 -20.361 1.00 65.23 C ATOM 479 O GLU A 31 4.735 1.712 -20.603 1.00 71.03 O ATOM 480 CB GLU A 31 5.356 -1.516 -20.275 1.00 74.24 C ATOM 481 CG GLU A 31 3.859 -1.444 -20.006 1.00 34.42 C ATOM 482 CD GLU A 31 3.385 -2.494 -19.017 1.00 21.35 C ATOM 483 OE1 GLU A 31 3.405 -3.694 -19.360 1.00 60.42 O ATOM 484 OE2 GLU A 31 2.985 -2.119 -17.892 1.00 34.32 O ATOM 0 H GLU A 31 7.758 -1.273 -20.864 1.00 31.14 H new ATOM 0 HA GLU A 31 5.330 -0.296 -22.056 1.00 33.44 H new ATOM 0 HB2 GLU A 31 5.580 -2.454 -20.784 1.00 74.24 H new ATOM 0 HB3 GLU A 31 5.887 -1.535 -19.323 1.00 74.24 H new ATOM 0 HG2 GLU A 31 3.611 -0.454 -19.624 1.00 34.42 H new ATOM 0 HG3 GLU A 31 3.320 -1.567 -20.945 1.00 34.42 H new ATOM 491 N LEU A 32 6.614 1.270 -19.446 1.00 43.44 N ATOM 492 CA LEU A 32 6.563 2.498 -18.639 1.00 30.14 C ATOM 493 C LEU A 32 6.466 3.754 -19.518 1.00 31.35 C ATOM 494 O LEU A 32 5.839 4.736 -19.139 1.00 12.23 O ATOM 495 CB LEU A 32 7.796 2.589 -17.734 1.00 74.44 C ATOM 496 CG LEU A 32 7.869 1.544 -16.610 1.00 71.14 C ATOM 497 CD1 LEU A 32 9.214 1.616 -15.897 1.00 34.14 C ATOM 498 CD2 LEU A 32 6.725 1.742 -15.621 1.00 65.41 C ATOM 0 H LEU A 32 7.415 0.672 -19.241 1.00 43.44 H new ATOM 0 HA LEU A 32 5.664 2.450 -18.025 1.00 30.14 H new ATOM 0 HB2 LEU A 32 8.688 2.494 -18.353 1.00 74.44 H new ATOM 0 HB3 LEU A 32 7.824 3.582 -17.286 1.00 74.44 H new ATOM 0 HG LEU A 32 7.771 0.554 -17.055 1.00 71.14 H new ATOM 0 HD11 LEU A 32 9.246 0.868 -15.105 1.00 34.14 H new ATOM 0 HD12 LEU A 32 10.015 1.423 -16.611 1.00 34.14 H new ATOM 0 HD13 LEU A 32 9.344 2.608 -15.465 1.00 34.14 H new ATOM 0 HD21 LEU A 32 6.793 0.993 -14.832 1.00 65.41 H new ATOM 0 HD22 LEU A 32 6.791 2.738 -15.183 1.00 65.41 H new ATOM 0 HD23 LEU A 32 5.773 1.637 -16.141 1.00 65.41 H new ATOM 510 N VAL A 33 7.104 3.713 -20.686 1.00 5.24 N ATOM 511 CA VAL A 33 7.058 4.829 -21.637 1.00 25.32 C ATOM 512 C VAL A 33 5.610 5.215 -21.999 1.00 4.20 C ATOM 513 O VAL A 33 5.248 6.391 -21.983 1.00 52.32 O ATOM 514 CB VAL A 33 7.836 4.488 -22.936 1.00 74.43 C ATOM 515 CG1 VAL A 33 7.781 5.647 -23.933 1.00 1.23 C ATOM 516 CG2 VAL A 33 9.283 4.119 -22.612 1.00 32.43 C ATOM 0 H VAL A 33 7.661 2.918 -21.000 1.00 5.24 H new ATOM 0 HA VAL A 33 7.531 5.678 -21.144 1.00 25.32 H new ATOM 0 HB VAL A 33 7.356 3.627 -23.401 1.00 74.43 H new ATOM 0 HG11 VAL A 33 8.335 5.379 -24.833 1.00 1.23 H new ATOM 0 HG12 VAL A 33 6.743 5.854 -24.193 1.00 1.23 H new ATOM 0 HG13 VAL A 33 8.226 6.535 -23.484 1.00 1.23 H new ATOM 0 HG21 VAL A 33 9.814 3.883 -23.534 1.00 32.43 H new ATOM 0 HG22 VAL A 33 9.771 4.959 -22.118 1.00 32.43 H new ATOM 0 HG23 VAL A 33 9.298 3.251 -21.952 1.00 32.43 H new ATOM 526 N GLU A 34 4.785 4.221 -22.330 1.00 45.24 N ATOM 527 CA GLU A 34 3.387 4.472 -22.708 1.00 13.42 C ATOM 528 C GLU A 34 2.461 4.629 -21.483 1.00 2.02 C ATOM 529 O GLU A 34 1.488 5.389 -21.527 1.00 11.52 O ATOM 530 CB GLU A 34 2.872 3.354 -23.628 1.00 4.41 C ATOM 531 CG GLU A 34 2.957 1.956 -23.027 1.00 30.10 C ATOM 532 CD GLU A 34 2.503 0.875 -23.996 1.00 3.04 C ATOM 533 OE1 GLU A 34 3.295 0.504 -24.890 1.00 51.21 O ATOM 534 OE2 GLU A 34 1.345 0.414 -23.885 1.00 3.40 O ATOM 0 H GLU A 34 5.056 3.238 -22.345 1.00 45.24 H new ATOM 0 HA GLU A 34 3.368 5.420 -23.246 1.00 13.42 H new ATOM 0 HB2 GLU A 34 1.834 3.562 -23.887 1.00 4.41 H new ATOM 0 HB3 GLU A 34 3.442 3.373 -24.557 1.00 4.41 H new ATOM 0 HG2 GLU A 34 3.984 1.757 -22.722 1.00 30.10 H new ATOM 0 HG3 GLU A 34 2.343 1.913 -22.127 1.00 30.10 H new ATOM 541 N THR A 35 2.752 3.911 -20.395 1.00 53.11 N ATOM 542 CA THR A 35 1.919 3.983 -19.179 1.00 62.12 C ATOM 543 C THR A 35 2.186 5.266 -18.384 1.00 3.33 C ATOM 544 O THR A 35 1.256 5.980 -18.001 1.00 61.34 O ATOM 545 CB THR A 35 2.137 2.765 -18.244 1.00 15.43 C ATOM 546 OG1 THR A 35 3.485 2.747 -17.735 1.00 73.24 O ATOM 547 CG2 THR A 35 1.850 1.454 -18.974 1.00 61.11 C ATOM 0 H THR A 35 3.548 3.278 -20.325 1.00 53.11 H new ATOM 0 HA THR A 35 0.887 3.980 -19.528 1.00 62.12 H new ATOM 0 HB THR A 35 1.441 2.863 -17.410 1.00 15.43 H new ATOM 0 HG1 THR A 35 3.527 3.262 -16.903 1.00 73.24 H new ATOM 0 HG21 THR A 35 2.011 0.617 -18.295 1.00 61.11 H new ATOM 0 HG22 THR A 35 0.816 1.448 -19.319 1.00 61.11 H new ATOM 0 HG23 THR A 35 2.518 1.360 -19.830 1.00 61.11 H new ATOM 555 N ASP A 36 3.460 5.555 -18.144 1.00 52.15 N ATOM 556 CA ASP A 36 3.870 6.751 -17.400 1.00 0.24 C ATOM 557 C ASP A 36 4.878 7.594 -18.208 1.00 75.44 C ATOM 558 O ASP A 36 6.068 7.638 -17.884 1.00 34.32 O ATOM 559 CB ASP A 36 4.486 6.345 -16.054 1.00 30.44 C ATOM 560 CG ASP A 36 3.528 5.539 -15.196 1.00 25.15 C ATOM 561 OD1 ASP A 36 2.727 6.155 -14.462 1.00 72.14 O ATOM 562 OD2 ASP A 36 3.566 4.286 -15.260 1.00 33.40 O ATOM 0 H ASP A 36 4.238 4.973 -18.456 1.00 52.15 H new ATOM 0 HA ASP A 36 2.984 7.361 -17.224 1.00 0.24 H new ATOM 0 HB2 ASP A 36 5.388 5.760 -16.233 1.00 30.44 H new ATOM 0 HB3 ASP A 36 4.789 7.241 -15.512 1.00 30.44 H new ATOM 567 N PRO A 37 4.413 8.290 -19.271 1.00 15.13 N ATOM 568 CA PRO A 37 5.298 9.093 -20.137 1.00 5.40 C ATOM 569 C PRO A 37 5.871 10.328 -19.420 1.00 53.23 C ATOM 570 O PRO A 37 6.778 10.991 -19.924 1.00 22.32 O ATOM 571 CB PRO A 37 4.381 9.513 -21.295 1.00 73.15 C ATOM 572 CG PRO A 37 3.006 9.479 -20.719 1.00 22.13 C ATOM 573 CD PRO A 37 3.004 8.359 -19.710 1.00 14.45 C ATOM 0 HA PRO A 37 6.174 8.528 -20.454 1.00 5.40 H new ATOM 0 HB2 PRO A 37 4.633 10.509 -21.659 1.00 73.15 H new ATOM 0 HB3 PRO A 37 4.473 8.832 -22.141 1.00 73.15 H new ATOM 0 HG2 PRO A 37 2.757 10.430 -20.247 1.00 22.13 H new ATOM 0 HG3 PRO A 37 2.262 9.305 -21.496 1.00 22.13 H new ATOM 0 HD2 PRO A 37 2.334 8.570 -18.877 1.00 14.45 H new ATOM 0 HD3 PRO A 37 2.675 7.419 -20.154 1.00 14.45 H new ATOM 581 N ASP A 38 5.324 10.631 -18.246 1.00 40.02 N ATOM 582 CA ASP A 38 5.799 11.746 -17.423 1.00 33.21 C ATOM 583 C ASP A 38 7.050 11.351 -16.617 1.00 52.25 C ATOM 584 O ASP A 38 7.805 12.211 -16.156 1.00 32.22 O ATOM 585 CB ASP A 38 4.680 12.189 -16.472 1.00 62.30 C ATOM 586 CG ASP A 38 4.982 13.512 -15.793 1.00 20.30 C ATOM 587 OD1 ASP A 38 4.746 14.564 -16.413 1.00 74.45 O ATOM 588 OD2 ASP A 38 5.455 13.510 -14.636 1.00 73.41 O ATOM 0 H ASP A 38 4.544 10.116 -17.838 1.00 40.02 H new ATOM 0 HA ASP A 38 6.072 12.571 -18.081 1.00 33.21 H new ATOM 0 HB2 ASP A 38 3.747 12.275 -17.029 1.00 62.30 H new ATOM 0 HB3 ASP A 38 4.528 11.422 -15.713 1.00 62.30 H new ATOM 593 N TYR A 39 7.268 10.047 -16.460 1.00 64.02 N ATOM 594 CA TYR A 39 8.364 9.537 -15.632 1.00 12.12 C ATOM 595 C TYR A 39 9.706 9.589 -16.391 1.00 4.42 C ATOM 596 O TYR A 39 10.085 8.638 -17.078 1.00 12.45 O ATOM 597 CB TYR A 39 8.047 8.104 -15.174 1.00 53.51 C ATOM 598 CG TYR A 39 8.717 7.703 -13.870 1.00 25.42 C ATOM 599 CD1 TYR A 39 8.114 7.985 -12.648 1.00 31.14 C ATOM 600 CD2 TYR A 39 9.939 7.038 -13.858 1.00 61.11 C ATOM 601 CE1 TYR A 39 8.706 7.619 -11.455 1.00 44.34 C ATOM 602 CE2 TYR A 39 10.538 6.671 -12.667 1.00 44.02 C ATOM 603 CZ TYR A 39 9.917 6.963 -11.469 1.00 74.31 C ATOM 604 OH TYR A 39 10.505 6.593 -10.280 1.00 14.53 O ATOM 0 H TYR A 39 6.700 9.321 -16.896 1.00 64.02 H new ATOM 0 HA TYR A 39 8.462 10.174 -14.753 1.00 12.12 H new ATOM 0 HB2 TYR A 39 6.968 8.001 -15.061 1.00 53.51 H new ATOM 0 HB3 TYR A 39 8.354 7.409 -15.956 1.00 53.51 H new ATOM 0 HD1 TYR A 39 7.165 8.500 -12.632 1.00 31.14 H new ATOM 0 HD2 TYR A 39 10.427 6.805 -14.793 1.00 61.11 H new ATOM 0 HE1 TYR A 39 8.222 7.846 -10.517 1.00 44.34 H new ATOM 0 HE2 TYR A 39 11.488 6.158 -12.674 1.00 44.02 H new ATOM 0 HH TYR A 39 11.054 5.793 -10.421 1.00 14.53 H new ATOM 614 N VAL A 40 10.415 10.713 -16.261 1.00 30.22 N ATOM 615 CA VAL A 40 11.681 10.935 -16.980 1.00 64.51 C ATOM 616 C VAL A 40 12.728 9.853 -16.655 1.00 1.04 C ATOM 617 O VAL A 40 13.504 9.440 -17.523 1.00 13.14 O ATOM 618 CB VAL A 40 12.267 12.335 -16.658 1.00 14.00 C ATOM 619 CG1 VAL A 40 13.572 12.573 -17.422 1.00 21.44 C ATOM 620 CG2 VAL A 40 11.246 13.429 -16.972 1.00 1.34 C ATOM 0 H VAL A 40 10.135 11.490 -15.662 1.00 30.22 H new ATOM 0 HA VAL A 40 11.449 10.877 -18.043 1.00 64.51 H new ATOM 0 HB VAL A 40 12.493 12.372 -15.592 1.00 14.00 H new ATOM 0 HG11 VAL A 40 13.961 13.561 -17.178 1.00 21.44 H new ATOM 0 HG12 VAL A 40 14.303 11.815 -17.139 1.00 21.44 H new ATOM 0 HG13 VAL A 40 13.383 12.512 -18.494 1.00 21.44 H new ATOM 0 HG21 VAL A 40 11.674 14.404 -16.740 1.00 1.34 H new ATOM 0 HG22 VAL A 40 10.984 13.390 -18.029 1.00 1.34 H new ATOM 0 HG23 VAL A 40 10.350 13.274 -16.371 1.00 1.34 H new ATOM 630 N GLY A 41 12.730 9.389 -15.403 1.00 61.14 N ATOM 631 CA GLY A 41 13.664 8.345 -14.980 1.00 22.00 C ATOM 632 C GLY A 41 13.606 7.091 -15.854 1.00 23.11 C ATOM 633 O GLY A 41 14.619 6.411 -16.049 1.00 11.42 O ATOM 0 H GLY A 41 12.101 9.717 -14.670 1.00 61.14 H new ATOM 0 HA2 GLY A 41 14.678 8.745 -14.998 1.00 22.00 H new ATOM 0 HA3 GLY A 41 13.448 8.070 -13.948 1.00 22.00 H new ATOM 637 N THR A 42 12.419 6.785 -16.379 1.00 43.02 N ATOM 638 CA THR A 42 12.231 5.634 -17.274 1.00 25.31 C ATOM 639 C THR A 42 13.122 5.741 -18.517 1.00 42.53 C ATOM 640 O THR A 42 13.931 4.856 -18.789 1.00 35.01 O ATOM 641 CB THR A 42 10.758 5.508 -17.739 1.00 60.35 C ATOM 642 OG1 THR A 42 9.895 5.324 -16.607 1.00 61.55 O ATOM 643 CG2 THR A 42 10.581 4.346 -18.713 1.00 20.30 C ATOM 0 H THR A 42 11.568 7.318 -16.201 1.00 43.02 H new ATOM 0 HA THR A 42 12.508 4.750 -16.699 1.00 25.31 H new ATOM 0 HB THR A 42 10.492 6.431 -18.254 1.00 60.35 H new ATOM 0 HG1 THR A 42 8.961 5.407 -16.891 1.00 61.55 H new ATOM 0 HG21 THR A 42 9.537 4.285 -19.020 1.00 20.30 H new ATOM 0 HG22 THR A 42 11.208 4.507 -19.590 1.00 20.30 H new ATOM 0 HG23 THR A 42 10.871 3.415 -18.226 1.00 20.30 H new ATOM 651 N TYR A 43 12.974 6.844 -19.249 1.00 51.14 N ATOM 652 CA TYR A 43 13.705 7.058 -20.506 1.00 54.14 C ATOM 653 C TYR A 43 15.224 6.953 -20.309 1.00 73.34 C ATOM 654 O TYR A 43 15.922 6.314 -21.100 1.00 24.13 O ATOM 655 CB TYR A 43 13.362 8.438 -21.083 1.00 63.05 C ATOM 656 CG TYR A 43 11.880 8.656 -21.322 1.00 13.24 C ATOM 657 CD1 TYR A 43 11.060 9.165 -20.318 1.00 44.24 C ATOM 658 CD2 TYR A 43 11.301 8.362 -22.552 1.00 44.41 C ATOM 659 CE1 TYR A 43 9.713 9.370 -20.534 1.00 14.11 C ATOM 660 CE2 TYR A 43 9.954 8.570 -22.773 1.00 52.41 C ATOM 661 CZ TYR A 43 9.165 9.074 -21.762 1.00 2.30 C ATOM 662 OH TYR A 43 7.826 9.287 -21.981 1.00 74.21 O ATOM 0 H TYR A 43 12.351 7.611 -18.994 1.00 51.14 H new ATOM 0 HA TYR A 43 13.398 6.275 -21.200 1.00 54.14 H new ATOM 0 HB2 TYR A 43 13.726 9.206 -20.401 1.00 63.05 H new ATOM 0 HB3 TYR A 43 13.895 8.569 -22.025 1.00 63.05 H new ATOM 0 HD1 TYR A 43 11.486 9.403 -19.354 1.00 44.24 H new ATOM 0 HD2 TYR A 43 11.915 7.965 -23.347 1.00 44.41 H new ATOM 0 HE1 TYR A 43 9.091 9.761 -19.743 1.00 14.11 H new ATOM 0 HE2 TYR A 43 9.520 8.339 -23.735 1.00 52.41 H new ATOM 0 HH TYR A 43 7.501 9.981 -21.370 1.00 74.21 H new ATOM 672 N TYR A 44 15.725 7.582 -19.247 1.00 22.12 N ATOM 673 CA TYR A 44 17.164 7.617 -18.975 1.00 12.31 C ATOM 674 C TYR A 44 17.744 6.205 -18.783 1.00 25.23 C ATOM 675 O TYR A 44 18.662 5.803 -19.493 1.00 44.11 O ATOM 676 CB TYR A 44 17.449 8.484 -17.737 1.00 51.22 C ATOM 677 CG TYR A 44 18.927 8.741 -17.490 1.00 41.03 C ATOM 678 CD1 TYR A 44 19.624 9.679 -18.247 1.00 24.43 C ATOM 679 CD2 TYR A 44 19.624 8.051 -16.502 1.00 54.24 C ATOM 680 CE1 TYR A 44 20.966 9.920 -18.029 1.00 11.14 C ATOM 681 CE2 TYR A 44 20.967 8.289 -16.279 1.00 55.50 C ATOM 682 CZ TYR A 44 21.633 9.224 -17.045 1.00 51.20 C ATOM 683 OH TYR A 44 22.973 9.463 -16.826 1.00 51.03 O ATOM 0 H TYR A 44 15.156 8.075 -18.559 1.00 22.12 H new ATOM 0 HA TYR A 44 17.654 8.058 -19.843 1.00 12.31 H new ATOM 0 HB2 TYR A 44 16.938 9.440 -17.850 1.00 51.22 H new ATOM 0 HB3 TYR A 44 17.024 7.997 -16.859 1.00 51.22 H new ATOM 0 HD1 TYR A 44 19.105 10.228 -19.019 1.00 24.43 H new ATOM 0 HD2 TYR A 44 19.107 7.318 -15.900 1.00 54.24 H new ATOM 0 HE1 TYR A 44 21.490 10.651 -18.627 1.00 11.14 H new ATOM 0 HE2 TYR A 44 21.493 7.745 -15.508 1.00 55.50 H new ATOM 0 HH TYR A 44 23.104 10.407 -16.598 1.00 51.03 H new ATOM 693 N HIS A 45 17.193 5.451 -17.832 1.00 5.21 N ATOM 694 CA HIS A 45 17.713 4.112 -17.520 1.00 31.02 C ATOM 695 C HIS A 45 17.370 3.080 -18.614 1.00 35.34 C ATOM 696 O HIS A 45 18.123 2.128 -18.829 1.00 74.04 O ATOM 697 CB HIS A 45 17.208 3.646 -16.149 1.00 72.31 C ATOM 698 CG HIS A 45 17.820 4.404 -15.007 1.00 55.01 C ATOM 699 ND1 HIS A 45 18.885 3.927 -14.272 1.00 71.32 N ATOM 700 CD2 HIS A 45 17.520 5.616 -14.478 1.00 2.20 C ATOM 701 CE1 HIS A 45 19.211 4.806 -13.347 1.00 24.30 C ATOM 702 NE2 HIS A 45 18.401 5.836 -13.452 1.00 15.02 N ATOM 0 H HIS A 45 16.394 5.737 -17.267 1.00 5.21 H new ATOM 0 HA HIS A 45 18.800 4.186 -17.487 1.00 31.02 H new ATOM 0 HB2 HIS A 45 16.124 3.756 -16.111 1.00 72.31 H new ATOM 0 HB3 HIS A 45 17.425 2.584 -16.030 1.00 72.31 H new ATOM 0 HD2 HIS A 45 16.735 6.282 -14.804 1.00 2.20 H new ATOM 0 HE1 HIS A 45 20.008 4.699 -12.626 1.00 24.30 H new ATOM 0 HE2 HIS A 45 18.425 6.668 -12.862 1.00 15.02 H new ATOM 711 N LEU A 46 16.244 3.268 -19.305 1.00 12.23 N ATOM 712 CA LEU A 46 15.884 2.404 -20.438 1.00 12.32 C ATOM 713 C LEU A 46 16.939 2.496 -21.552 1.00 55.42 C ATOM 714 O LEU A 46 17.372 1.478 -22.103 1.00 13.13 O ATOM 715 CB LEU A 46 14.495 2.784 -20.982 1.00 32.04 C ATOM 716 CG LEU A 46 14.055 2.054 -22.264 1.00 74.05 C ATOM 717 CD1 LEU A 46 14.111 0.541 -22.082 1.00 12.21 C ATOM 718 CD2 LEU A 46 12.652 2.495 -22.679 1.00 35.23 C ATOM 0 H LEU A 46 15.568 4.005 -19.104 1.00 12.23 H new ATOM 0 HA LEU A 46 15.851 1.374 -20.084 1.00 12.32 H new ATOM 0 HB2 LEU A 46 13.756 2.591 -20.205 1.00 32.04 H new ATOM 0 HB3 LEU A 46 14.482 3.857 -21.175 1.00 32.04 H new ATOM 0 HG LEU A 46 14.751 2.322 -23.059 1.00 74.05 H new ATOM 0 HD11 LEU A 46 13.795 0.052 -23.003 1.00 12.21 H new ATOM 0 HD12 LEU A 46 15.131 0.241 -21.843 1.00 12.21 H new ATOM 0 HD13 LEU A 46 13.447 0.247 -21.269 1.00 12.21 H new ATOM 0 HD21 LEU A 46 12.359 1.968 -23.587 1.00 35.23 H new ATOM 0 HD22 LEU A 46 11.947 2.263 -21.881 1.00 35.23 H new ATOM 0 HD23 LEU A 46 12.648 3.569 -22.865 1.00 35.23 H new ATOM 730 N GLY A 47 17.358 3.718 -21.870 1.00 72.55 N ATOM 731 CA GLY A 47 18.416 3.914 -22.854 1.00 22.30 C ATOM 732 C GLY A 47 19.719 3.221 -22.461 1.00 43.45 C ATOM 733 O GLY A 47 20.365 2.574 -23.290 1.00 42.45 O ATOM 0 H GLY A 47 16.986 4.577 -21.466 1.00 72.55 H new ATOM 0 HA2 GLY A 47 18.084 3.534 -23.820 1.00 22.30 H new ATOM 0 HA3 GLY A 47 18.599 4.981 -22.977 1.00 22.30 H new ATOM 737 N LYS A 48 20.096 3.341 -21.184 1.00 74.23 N ATOM 738 CA LYS A 48 21.305 2.687 -20.665 1.00 51.33 C ATOM 739 C LYS A 48 21.232 1.165 -20.868 1.00 52.04 C ATOM 740 O LYS A 48 22.236 0.517 -21.182 1.00 51.31 O ATOM 741 CB LYS A 48 21.506 2.997 -19.168 1.00 41.01 C ATOM 742 CG LYS A 48 21.306 4.462 -18.789 1.00 43.41 C ATOM 743 CD LYS A 48 22.191 5.427 -19.581 1.00 64.32 C ATOM 744 CE LYS A 48 23.661 5.364 -19.172 1.00 2.55 C ATOM 745 NZ LYS A 48 24.361 4.161 -19.695 1.00 5.32 N ATOM 0 H LYS A 48 19.583 3.884 -20.490 1.00 74.23 H new ATOM 0 HA LYS A 48 22.154 3.082 -21.222 1.00 51.33 H new ATOM 0 HB2 LYS A 48 20.813 2.388 -18.588 1.00 41.01 H new ATOM 0 HB3 LYS A 48 22.513 2.695 -18.880 1.00 41.01 H new ATOM 0 HG2 LYS A 48 20.261 4.729 -18.945 1.00 43.41 H new ATOM 0 HG3 LYS A 48 21.511 4.584 -17.725 1.00 43.41 H new ATOM 0 HD2 LYS A 48 22.106 5.200 -20.644 1.00 64.32 H new ATOM 0 HD3 LYS A 48 21.825 6.444 -19.442 1.00 64.32 H new ATOM 0 HE2 LYS A 48 24.170 6.258 -19.531 1.00 2.55 H new ATOM 0 HE3 LYS A 48 23.730 5.373 -18.084 1.00 2.55 H new ATOM 0 HZ1 LYS A 48 24.636 3.547 -18.902 1.00 5.32 H new ATOM 0 HZ2 LYS A 48 23.726 3.639 -20.332 1.00 5.32 H new ATOM 0 HZ3 LYS A 48 25.211 4.454 -20.218 1.00 5.32 H new ATOM 759 N LEU A 49 20.034 0.604 -20.688 1.00 13.41 N ATOM 760 CA LEU A 49 19.809 -0.833 -20.886 1.00 34.35 C ATOM 761 C LEU A 49 19.969 -1.212 -22.368 1.00 21.53 C ATOM 762 O LEU A 49 20.540 -2.256 -22.694 1.00 44.15 O ATOM 763 CB LEU A 49 18.420 -1.234 -20.359 1.00 11.45 C ATOM 764 CG LEU A 49 18.113 -2.744 -20.362 1.00 1.34 C ATOM 765 CD1 LEU A 49 19.214 -3.528 -19.648 1.00 35.32 C ATOM 766 CD2 LEU A 49 16.758 -3.018 -19.712 1.00 55.53 C ATOM 0 H LEU A 49 19.202 1.123 -20.405 1.00 13.41 H new ATOM 0 HA LEU A 49 20.561 -1.383 -20.320 1.00 34.35 H new ATOM 0 HB2 LEU A 49 18.318 -0.864 -19.339 1.00 11.45 H new ATOM 0 HB3 LEU A 49 17.664 -0.727 -20.959 1.00 11.45 H new ATOM 0 HG LEU A 49 18.075 -3.078 -21.399 1.00 1.34 H new ATOM 0 HD11 LEU A 49 18.973 -4.591 -19.664 1.00 35.32 H new ATOM 0 HD12 LEU A 49 20.165 -3.364 -20.155 1.00 35.32 H new ATOM 0 HD13 LEU A 49 19.290 -3.189 -18.615 1.00 35.32 H new ATOM 0 HD21 LEU A 49 16.559 -4.090 -19.724 1.00 55.53 H new ATOM 0 HD22 LEU A 49 16.770 -2.662 -18.682 1.00 55.53 H new ATOM 0 HD23 LEU A 49 15.977 -2.498 -20.266 1.00 55.53 H new ATOM 778 N TYR A 50 19.479 -0.352 -23.266 1.00 34.21 N ATOM 779 CA TYR A 50 19.696 -0.539 -24.707 1.00 75.53 C ATOM 780 C TYR A 50 21.196 -0.555 -25.040 1.00 31.11 C ATOM 781 O TYR A 50 21.656 -1.391 -25.819 1.00 61.14 O ATOM 782 CB TYR A 50 18.990 0.550 -25.526 1.00 21.45 C ATOM 783 CG TYR A 50 17.489 0.361 -25.649 1.00 24.00 C ATOM 784 CD1 TYR A 50 16.958 -0.838 -26.118 1.00 74.14 C ATOM 785 CD2 TYR A 50 16.606 1.381 -25.314 1.00 14.10 C ATOM 786 CE1 TYR A 50 15.593 -1.014 -26.245 1.00 25.23 C ATOM 787 CE2 TYR A 50 15.240 1.212 -25.442 1.00 71.44 C ATOM 788 CZ TYR A 50 14.739 0.014 -25.907 1.00 12.52 C ATOM 789 OH TYR A 50 13.378 -0.153 -26.040 1.00 62.21 O ATOM 0 H TYR A 50 18.933 0.475 -23.025 1.00 34.21 H new ATOM 0 HA TYR A 50 19.266 -1.504 -24.976 1.00 75.53 H new ATOM 0 HB2 TYR A 50 19.187 1.519 -25.067 1.00 21.45 H new ATOM 0 HB3 TYR A 50 19.425 0.577 -26.525 1.00 21.45 H new ATOM 0 HD1 TYR A 50 17.624 -1.644 -26.387 1.00 74.14 H new ATOM 0 HD2 TYR A 50 16.993 2.320 -24.948 1.00 14.10 H new ATOM 0 HE1 TYR A 50 15.198 -1.952 -26.607 1.00 25.23 H new ATOM 0 HE2 TYR A 50 14.568 2.015 -25.179 1.00 71.44 H new ATOM 0 HH TYR A 50 13.160 -1.108 -26.001 1.00 62.21 H new ATOM 799 N GLU A 51 21.954 0.372 -24.445 1.00 34.53 N ATOM 800 CA GLU A 51 23.418 0.388 -24.585 1.00 61.10 C ATOM 801 C GLU A 51 24.022 -0.980 -24.214 1.00 2.25 C ATOM 802 O GLU A 51 24.873 -1.517 -24.925 1.00 64.31 O ATOM 803 CB GLU A 51 24.036 1.463 -23.680 1.00 55.44 C ATOM 804 CG GLU A 51 23.598 2.895 -23.979 1.00 43.35 C ATOM 805 CD GLU A 51 24.129 3.888 -22.950 1.00 62.33 C ATOM 806 OE1 GLU A 51 25.166 3.599 -22.310 1.00 44.10 O ATOM 807 OE2 GLU A 51 23.503 4.942 -22.745 1.00 25.11 O ATOM 0 H GLU A 51 21.581 1.121 -23.862 1.00 34.53 H new ATOM 0 HA GLU A 51 23.644 0.612 -25.628 1.00 61.10 H new ATOM 0 HB2 GLU A 51 23.785 1.232 -22.645 1.00 55.44 H new ATOM 0 HB3 GLU A 51 25.121 1.407 -23.765 1.00 55.44 H new ATOM 0 HG2 GLU A 51 23.948 3.180 -24.971 1.00 43.35 H new ATOM 0 HG3 GLU A 51 22.509 2.943 -23.999 1.00 43.35 H new ATOM 814 N ARG A 52 23.565 -1.539 -23.092 1.00 31.22 N ATOM 815 CA ARG A 52 24.046 -2.842 -22.610 1.00 21.45 C ATOM 816 C ARG A 52 23.722 -3.957 -23.624 1.00 3.23 C ATOM 817 O ARG A 52 24.410 -4.979 -23.693 1.00 75.32 O ATOM 818 CB ARG A 52 23.410 -3.160 -21.244 1.00 61.20 C ATOM 819 CG ARG A 52 24.082 -4.303 -20.488 1.00 31.20 C ATOM 820 CD ARG A 52 23.361 -4.622 -19.180 1.00 21.54 C ATOM 821 NE ARG A 52 24.138 -5.518 -18.322 1.00 25.12 N ATOM 822 CZ ARG A 52 23.682 -6.632 -17.811 1.00 61.54 C ATOM 823 NH1 ARG A 52 22.508 -7.073 -18.123 1.00 45.13 N ATOM 824 NH2 ARG A 52 24.417 -7.320 -17.002 1.00 21.43 N ATOM 0 H ARG A 52 22.858 -1.109 -22.495 1.00 31.22 H new ATOM 0 HA ARG A 52 25.129 -2.792 -22.498 1.00 21.45 H new ATOM 0 HB2 ARG A 52 23.440 -2.263 -20.625 1.00 61.20 H new ATOM 0 HB3 ARG A 52 22.359 -3.408 -21.395 1.00 61.20 H new ATOM 0 HG2 ARG A 52 24.102 -5.192 -21.118 1.00 31.20 H new ATOM 0 HG3 ARG A 52 25.118 -4.039 -20.276 1.00 31.20 H new ATOM 0 HD2 ARG A 52 23.158 -3.695 -18.644 1.00 21.54 H new ATOM 0 HD3 ARG A 52 22.397 -5.080 -19.401 1.00 21.54 H new ATOM 0 HE ARG A 52 25.100 -5.256 -18.108 1.00 25.12 H new ATOM 0 HH11 ARG A 52 21.924 -6.551 -18.776 1.00 45.13 H new ATOM 0 HH12 ARG A 52 22.166 -7.944 -17.716 1.00 45.13 H new ATOM 0 HH21 ARG A 52 25.353 -6.994 -16.762 1.00 21.43 H new ATOM 0 HH22 ARG A 52 24.061 -8.189 -16.603 1.00 21.43 H new ATOM 838 N LEU A 53 22.668 -3.744 -24.413 1.00 12.33 N ATOM 839 CA LEU A 53 22.260 -4.690 -25.460 1.00 23.43 C ATOM 840 C LEU A 53 22.831 -4.299 -26.839 1.00 42.20 C ATOM 841 O LEU A 53 22.469 -4.895 -27.855 1.00 45.42 O ATOM 842 CB LEU A 53 20.726 -4.751 -25.535 1.00 15.52 C ATOM 843 CG LEU A 53 20.016 -5.206 -24.250 1.00 72.22 C ATOM 844 CD1 LEU A 53 18.500 -5.129 -24.418 1.00 71.43 C ATOM 845 CD2 LEU A 53 20.444 -6.621 -23.867 1.00 73.00 C ATOM 0 H LEU A 53 22.074 -2.917 -24.348 1.00 12.33 H new ATOM 0 HA LEU A 53 22.660 -5.669 -25.198 1.00 23.43 H new ATOM 0 HB2 LEU A 53 20.354 -3.763 -25.804 1.00 15.52 H new ATOM 0 HB3 LEU A 53 20.446 -5.428 -26.342 1.00 15.52 H new ATOM 0 HG LEU A 53 20.307 -4.533 -23.443 1.00 72.22 H new ATOM 0 HD11 LEU A 53 18.015 -5.455 -23.498 1.00 71.43 H new ATOM 0 HD12 LEU A 53 18.210 -4.101 -24.637 1.00 71.43 H new ATOM 0 HD13 LEU A 53 18.192 -5.776 -25.240 1.00 71.43 H new ATOM 0 HD21 LEU A 53 19.929 -6.922 -22.955 1.00 73.00 H new ATOM 0 HD22 LEU A 53 20.188 -7.309 -24.673 1.00 73.00 H new ATOM 0 HD23 LEU A 53 21.521 -6.643 -23.700 1.00 73.00 H new ATOM 857 N ASP A 54 23.716 -3.293 -26.859 1.00 70.41 N ATOM 858 CA ASP A 54 24.327 -2.783 -28.102 1.00 4.23 C ATOM 859 C ASP A 54 23.288 -2.076 -29.002 1.00 72.21 C ATOM 860 O ASP A 54 23.573 -1.706 -30.144 1.00 21.21 O ATOM 861 CB ASP A 54 25.039 -3.919 -28.858 1.00 32.31 C ATOM 862 CG ASP A 54 25.791 -3.434 -30.089 1.00 31.02 C ATOM 863 OD1 ASP A 54 26.675 -2.563 -29.944 1.00 53.03 O ATOM 864 OD2 ASP A 54 25.500 -3.923 -31.203 1.00 50.44 O ATOM 0 H ASP A 54 24.030 -2.808 -26.018 1.00 70.41 H new ATOM 0 HA ASP A 54 25.071 -2.036 -27.826 1.00 4.23 H new ATOM 0 HB2 ASP A 54 25.738 -4.414 -28.184 1.00 32.31 H new ATOM 0 HB3 ASP A 54 24.303 -4.665 -29.159 1.00 32.31 H new ATOM 869 N ARG A 55 22.093 -1.856 -28.468 1.00 73.34 N ATOM 870 CA ARG A 55 21.026 -1.174 -29.203 1.00 1.34 C ATOM 871 C ARG A 55 21.210 0.354 -29.152 1.00 50.24 C ATOM 872 O ARG A 55 20.336 1.083 -28.677 1.00 2.33 O ATOM 873 CB ARG A 55 19.660 -1.563 -28.618 1.00 44.12 C ATOM 874 CG ARG A 55 19.399 -3.067 -28.585 1.00 3.32 C ATOM 875 CD ARG A 55 19.430 -3.682 -29.979 1.00 22.41 C ATOM 876 NE ARG A 55 18.479 -3.038 -30.882 1.00 54.21 N ATOM 877 CZ ARG A 55 17.689 -3.678 -31.696 1.00 30.01 C ATOM 878 NH1 ARG A 55 17.701 -4.971 -31.747 1.00 75.23 N ATOM 879 NH2 ARG A 55 16.886 -3.011 -32.458 1.00 40.31 N ATOM 0 H ARG A 55 21.834 -2.140 -27.523 1.00 73.34 H new ATOM 0 HA ARG A 55 21.073 -1.485 -30.247 1.00 1.34 H new ATOM 0 HB2 ARG A 55 19.586 -1.170 -27.604 1.00 44.12 H new ATOM 0 HB3 ARG A 55 18.876 -1.082 -29.203 1.00 44.12 H new ATOM 0 HG2 ARG A 55 20.148 -3.551 -27.958 1.00 3.32 H new ATOM 0 HG3 ARG A 55 18.429 -3.257 -28.126 1.00 3.32 H new ATOM 0 HD2 ARG A 55 20.436 -3.597 -30.391 1.00 22.41 H new ATOM 0 HD3 ARG A 55 19.202 -4.746 -29.911 1.00 22.41 H new ATOM 0 HE ARG A 55 18.431 -2.019 -30.874 1.00 54.21 H new ATOM 0 HH11 ARG A 55 18.333 -5.499 -31.146 1.00 75.23 H new ATOM 0 HH12 ARG A 55 17.078 -5.462 -32.388 1.00 75.23 H new ATOM 0 HH21 ARG A 55 16.875 -1.992 -32.419 1.00 40.31 H new ATOM 0 HH22 ARG A 55 16.264 -3.504 -33.099 1.00 40.31 H new ATOM 893 N THR A 56 22.353 0.828 -29.648 1.00 32.34 N ATOM 894 CA THR A 56 22.688 2.261 -29.626 1.00 44.43 C ATOM 895 C THR A 56 21.595 3.117 -30.285 1.00 34.21 C ATOM 896 O THR A 56 21.134 4.100 -29.703 1.00 74.11 O ATOM 897 CB THR A 56 24.040 2.537 -30.328 1.00 2.05 C ATOM 898 OG1 THR A 56 25.098 1.828 -29.662 1.00 60.41 O ATOM 899 CG2 THR A 56 24.364 4.028 -30.347 1.00 53.02 C ATOM 0 H THR A 56 23.070 0.240 -30.074 1.00 32.34 H new ATOM 0 HA THR A 56 22.765 2.540 -28.575 1.00 44.43 H new ATOM 0 HB THR A 56 23.954 2.189 -31.357 1.00 2.05 H new ATOM 0 HG1 THR A 56 25.948 2.008 -30.115 1.00 60.41 H new ATOM 0 HG21 THR A 56 25.320 4.186 -30.847 1.00 53.02 H new ATOM 0 HG22 THR A 56 23.581 4.564 -30.883 1.00 53.02 H new ATOM 0 HG23 THR A 56 24.424 4.400 -29.324 1.00 53.02 H new ATOM 907 N ASP A 57 21.178 2.735 -31.493 1.00 61.02 N ATOM 908 CA ASP A 57 20.125 3.459 -32.221 1.00 71.43 C ATOM 909 C ASP A 57 18.838 3.570 -31.383 1.00 72.40 C ATOM 910 O ASP A 57 18.271 4.655 -31.227 1.00 22.11 O ATOM 911 CB ASP A 57 19.824 2.748 -33.546 1.00 20.12 C ATOM 912 CG ASP A 57 21.065 2.573 -34.403 1.00 3.41 C ATOM 913 OD1 ASP A 57 21.798 1.578 -34.196 1.00 42.25 O ATOM 914 OD2 ASP A 57 21.319 3.425 -35.284 1.00 73.41 O ATOM 0 H ASP A 57 21.552 1.928 -31.992 1.00 61.02 H new ATOM 0 HA ASP A 57 20.486 4.468 -32.421 1.00 71.43 H new ATOM 0 HB2 ASP A 57 19.387 1.771 -33.340 1.00 20.12 H new ATOM 0 HB3 ASP A 57 19.080 3.319 -34.101 1.00 20.12 H new ATOM 919 N ASP A 58 18.393 2.438 -30.839 1.00 61.20 N ATOM 920 CA ASP A 58 17.197 2.395 -29.992 1.00 71.13 C ATOM 921 C ASP A 58 17.363 3.271 -28.739 1.00 75.30 C ATOM 922 O ASP A 58 16.418 3.929 -28.299 1.00 65.41 O ATOM 923 CB ASP A 58 16.901 0.949 -29.587 1.00 63.22 C ATOM 924 CG ASP A 58 16.726 0.041 -30.792 1.00 23.04 C ATOM 925 OD1 ASP A 58 17.744 -0.339 -31.408 1.00 15.24 O ATOM 926 OD2 ASP A 58 15.571 -0.298 -31.132 1.00 14.42 O ATOM 0 H ASP A 58 18.844 1.533 -30.970 1.00 61.20 H new ATOM 0 HA ASP A 58 16.360 2.791 -30.567 1.00 71.13 H new ATOM 0 HB2 ASP A 58 17.714 0.573 -28.966 1.00 63.22 H new ATOM 0 HB3 ASP A 58 15.997 0.921 -28.979 1.00 63.22 H new ATOM 931 N ALA A 59 18.567 3.271 -28.165 1.00 21.31 N ATOM 932 CA ALA A 59 18.873 4.117 -27.006 1.00 2.30 C ATOM 933 C ALA A 59 18.707 5.606 -27.347 1.00 31.44 C ATOM 934 O ALA A 59 17.948 6.323 -26.691 1.00 74.52 O ATOM 935 CB ALA A 59 20.289 3.837 -26.507 1.00 72.54 C ATOM 0 H ALA A 59 19.347 2.696 -28.482 1.00 21.31 H new ATOM 0 HA ALA A 59 18.166 3.875 -26.213 1.00 2.30 H new ATOM 0 HB1 ALA A 59 20.504 4.471 -25.647 1.00 72.54 H new ATOM 0 HB2 ALA A 59 20.372 2.790 -26.216 1.00 72.54 H new ATOM 0 HB3 ALA A 59 21.004 4.050 -27.302 1.00 72.54 H new ATOM 941 N ILE A 60 19.403 6.051 -28.395 1.00 51.05 N ATOM 942 CA ILE A 60 19.331 7.444 -28.859 1.00 65.11 C ATOM 943 C ILE A 60 17.877 7.883 -29.091 1.00 12.02 C ATOM 944 O ILE A 60 17.445 8.937 -28.615 1.00 13.22 O ATOM 945 CB ILE A 60 20.128 7.623 -30.177 1.00 73.13 C ATOM 946 CG1 ILE A 60 21.593 7.192 -29.986 1.00 3.00 C ATOM 947 CG2 ILE A 60 20.050 9.069 -30.670 1.00 31.31 C ATOM 948 CD1 ILE A 60 22.389 7.145 -31.275 1.00 33.22 C ATOM 0 H ILE A 60 20.029 5.463 -28.945 1.00 51.05 H new ATOM 0 HA ILE A 60 19.768 8.067 -28.078 1.00 65.11 H new ATOM 0 HB ILE A 60 19.678 6.983 -30.936 1.00 73.13 H new ATOM 0 HG12 ILE A 60 22.078 7.882 -29.295 1.00 3.00 H new ATOM 0 HG13 ILE A 60 21.615 6.207 -29.520 1.00 3.00 H new ATOM 0 HG21 ILE A 60 20.617 9.169 -31.596 1.00 31.31 H new ATOM 0 HG22 ILE A 60 19.009 9.336 -30.851 1.00 31.31 H new ATOM 0 HG23 ILE A 60 20.469 9.734 -29.915 1.00 31.31 H new ATOM 0 HD11 ILE A 60 23.411 6.833 -31.060 1.00 33.22 H new ATOM 0 HD12 ILE A 60 21.929 6.433 -31.961 1.00 33.22 H new ATOM 0 HD13 ILE A 60 22.400 8.134 -31.732 1.00 33.22 H new ATOM 960 N ASP A 61 17.132 7.056 -29.819 1.00 43.55 N ATOM 961 CA ASP A 61 15.722 7.320 -30.114 1.00 25.42 C ATOM 962 C ASP A 61 14.904 7.489 -28.819 1.00 11.32 C ATOM 963 O ASP A 61 14.099 8.415 -28.687 1.00 65.13 O ATOM 964 CB ASP A 61 15.165 6.168 -30.956 1.00 24.34 C ATOM 965 CG ASP A 61 13.821 6.490 -31.578 1.00 34.14 C ATOM 966 OD1 ASP A 61 13.799 7.158 -32.632 1.00 42.32 O ATOM 967 OD2 ASP A 61 12.784 6.064 -31.026 1.00 60.21 O ATOM 0 H ASP A 61 17.484 6.187 -30.221 1.00 43.55 H new ATOM 0 HA ASP A 61 15.645 8.253 -30.672 1.00 25.42 H new ATOM 0 HB2 ASP A 61 15.876 5.924 -31.745 1.00 24.34 H new ATOM 0 HB3 ASP A 61 15.067 5.281 -30.330 1.00 24.34 H new ATOM 972 N THR A 62 15.130 6.593 -27.861 1.00 0.32 N ATOM 973 CA THR A 62 14.454 6.658 -26.556 1.00 34.31 C ATOM 974 C THR A 62 14.804 7.954 -25.809 1.00 71.35 C ATOM 975 O THR A 62 13.947 8.564 -25.162 1.00 3.53 O ATOM 976 CB THR A 62 14.819 5.442 -25.668 1.00 32.10 C ATOM 977 OG1 THR A 62 14.456 4.222 -26.336 1.00 24.35 O ATOM 978 CG2 THR A 62 14.119 5.502 -24.310 1.00 3.43 C ATOM 0 H THR A 62 15.776 5.810 -27.959 1.00 0.32 H new ATOM 0 HA THR A 62 13.383 6.641 -26.756 1.00 34.31 H new ATOM 0 HB THR A 62 15.895 5.470 -25.498 1.00 32.10 H new ATOM 0 HG1 THR A 62 15.098 4.038 -27.053 1.00 24.35 H new ATOM 0 HG21 THR A 62 14.401 4.632 -23.717 1.00 3.43 H new ATOM 0 HG22 THR A 62 14.418 6.410 -23.787 1.00 3.43 H new ATOM 0 HG23 THR A 62 13.039 5.507 -24.457 1.00 3.43 H new ATOM 986 N TYR A 63 16.066 8.378 -25.904 1.00 44.13 N ATOM 987 CA TYR A 63 16.501 9.638 -25.289 1.00 40.41 C ATOM 988 C TYR A 63 15.792 10.845 -25.924 1.00 61.42 C ATOM 989 O TYR A 63 15.534 11.839 -25.251 1.00 62.51 O ATOM 990 CB TYR A 63 18.026 9.809 -25.390 1.00 14.50 C ATOM 991 CG TYR A 63 18.812 8.794 -24.578 1.00 61.34 C ATOM 992 CD1 TYR A 63 18.536 8.594 -23.229 1.00 42.21 C ATOM 993 CD2 TYR A 63 19.831 8.041 -25.155 1.00 12.30 C ATOM 994 CE1 TYR A 63 19.246 7.673 -22.485 1.00 12.32 C ATOM 995 CE2 TYR A 63 20.545 7.118 -24.415 1.00 73.35 C ATOM 996 CZ TYR A 63 20.249 6.938 -23.081 1.00 0.13 C ATOM 997 OH TYR A 63 20.949 6.014 -22.344 1.00 4.01 O ATOM 0 H TYR A 63 16.802 7.873 -26.397 1.00 44.13 H new ATOM 0 HA TYR A 63 16.226 9.593 -24.235 1.00 40.41 H new ATOM 0 HB2 TYR A 63 18.322 9.731 -26.436 1.00 14.50 H new ATOM 0 HB3 TYR A 63 18.293 10.812 -25.057 1.00 14.50 H new ATOM 0 HD1 TYR A 63 17.753 9.169 -22.756 1.00 42.21 H new ATOM 0 HD2 TYR A 63 20.068 8.181 -26.199 1.00 12.30 H new ATOM 0 HE1 TYR A 63 19.017 7.529 -21.440 1.00 12.32 H new ATOM 0 HE2 TYR A 63 21.331 6.541 -24.879 1.00 73.35 H new ATOM 0 HH TYR A 63 21.815 5.843 -22.770 1.00 4.01 H new ATOM 1007 N ALA A 64 15.477 10.749 -27.218 1.00 5.13 N ATOM 1008 CA ALA A 64 14.724 11.801 -27.915 1.00 52.30 C ATOM 1009 C ALA A 64 13.350 12.020 -27.259 1.00 71.12 C ATOM 1010 O ALA A 64 12.968 13.151 -26.949 1.00 10.01 O ATOM 1011 CB ALA A 64 14.567 11.454 -29.392 1.00 64.34 C ATOM 0 H ALA A 64 15.730 9.955 -27.806 1.00 5.13 H new ATOM 0 HA ALA A 64 15.286 12.732 -27.837 1.00 52.30 H new ATOM 0 HB1 ALA A 64 14.007 12.243 -29.894 1.00 64.34 H new ATOM 0 HB2 ALA A 64 15.551 11.360 -29.850 1.00 64.34 H new ATOM 0 HB3 ALA A 64 14.030 10.510 -29.489 1.00 64.34 H new ATOM 1017 N GLN A 65 12.618 10.926 -27.036 1.00 4.20 N ATOM 1018 CA GLN A 65 11.361 10.978 -26.273 1.00 30.42 C ATOM 1019 C GLN A 65 11.589 11.589 -24.882 1.00 22.15 C ATOM 1020 O GLN A 65 10.792 12.402 -24.401 1.00 53.14 O ATOM 1021 CB GLN A 65 10.765 9.570 -26.130 1.00 12.00 C ATOM 1022 CG GLN A 65 10.068 9.059 -27.385 1.00 42.42 C ATOM 1023 CD GLN A 65 8.820 9.859 -27.737 1.00 31.31 C ATOM 1024 OE1 GLN A 65 8.468 9.999 -28.903 1.00 62.12 O ATOM 1025 NE2 GLN A 65 8.132 10.377 -26.734 1.00 62.25 N ATOM 0 H GLN A 65 12.869 9.996 -27.370 1.00 4.20 H new ATOM 0 HA GLN A 65 10.661 11.610 -26.820 1.00 30.42 H new ATOM 0 HB2 GLN A 65 11.561 8.876 -25.861 1.00 12.00 H new ATOM 0 HB3 GLN A 65 10.051 9.571 -25.306 1.00 12.00 H new ATOM 0 HG2 GLN A 65 10.765 9.096 -28.222 1.00 42.42 H new ATOM 0 HG3 GLN A 65 9.795 8.013 -27.243 1.00 42.42 H new ATOM 0 HE21 GLN A 65 8.450 10.243 -25.774 1.00 62.25 H new ATOM 0 HE22 GLN A 65 7.283 10.910 -26.920 1.00 62.25 H new ATOM 1034 N GLY A 66 12.687 11.183 -24.245 1.00 4.20 N ATOM 1035 CA GLY A 66 13.057 11.738 -22.951 1.00 75.14 C ATOM 1036 C GLY A 66 13.305 13.240 -23.002 1.00 2.55 C ATOM 1037 O GLY A 66 12.906 13.969 -22.099 1.00 44.24 O ATOM 0 H GLY A 66 13.329 10.477 -24.604 1.00 4.20 H new ATOM 0 HA2 GLY A 66 12.265 11.529 -22.232 1.00 75.14 H new ATOM 0 HA3 GLY A 66 13.956 11.238 -22.590 1.00 75.14 H new ATOM 1041 N ILE A 67 13.960 13.701 -24.067 1.00 73.33 N ATOM 1042 CA ILE A 67 14.263 15.126 -24.250 1.00 11.22 C ATOM 1043 C ILE A 67 12.992 15.986 -24.164 1.00 30.45 C ATOM 1044 O ILE A 67 12.959 16.994 -23.455 1.00 62.53 O ATOM 1045 CB ILE A 67 14.978 15.369 -25.613 1.00 2.21 C ATOM 1046 CG1 ILE A 67 16.420 14.827 -25.562 1.00 33.40 C ATOM 1047 CG2 ILE A 67 14.965 16.851 -26.001 1.00 62.31 C ATOM 1048 CD1 ILE A 67 17.183 14.971 -26.865 1.00 31.11 C ATOM 0 H ILE A 67 14.295 13.105 -24.824 1.00 73.33 H new ATOM 0 HA ILE A 67 14.932 15.423 -23.442 1.00 11.22 H new ATOM 0 HB ILE A 67 14.427 14.828 -26.383 1.00 2.21 H new ATOM 0 HG12 ILE A 67 16.965 15.348 -24.775 1.00 33.40 H new ATOM 0 HG13 ILE A 67 16.391 13.773 -25.285 1.00 33.40 H new ATOM 0 HG21 ILE A 67 15.473 16.981 -26.957 1.00 62.31 H new ATOM 0 HG22 ILE A 67 13.934 17.195 -26.087 1.00 62.31 H new ATOM 0 HG23 ILE A 67 15.479 17.432 -25.235 1.00 62.31 H new ATOM 0 HD11 ILE A 67 18.188 14.566 -26.745 1.00 31.11 H new ATOM 0 HD12 ILE A 67 16.664 14.426 -27.653 1.00 31.11 H new ATOM 0 HD13 ILE A 67 17.247 16.025 -27.135 1.00 31.11 H new ATOM 1060 N GLU A 68 11.948 15.564 -24.868 1.00 63.23 N ATOM 1061 CA GLU A 68 10.684 16.305 -24.909 1.00 13.20 C ATOM 1062 C GLU A 68 10.048 16.434 -23.512 1.00 71.33 C ATOM 1063 O GLU A 68 9.744 17.542 -23.046 1.00 50.13 O ATOM 1064 CB GLU A 68 9.705 15.612 -25.868 1.00 41.13 C ATOM 1065 CG GLU A 68 10.287 15.347 -27.253 1.00 3.12 C ATOM 1066 CD GLU A 68 9.268 14.765 -28.218 1.00 61.01 C ATOM 1067 OE1 GLU A 68 8.868 13.598 -28.037 1.00 64.10 O ATOM 1068 OE2 GLU A 68 8.865 15.469 -29.171 1.00 45.54 O ATOM 0 H GLU A 68 11.948 14.708 -25.423 1.00 63.23 H new ATOM 0 HA GLU A 68 10.901 17.311 -25.267 1.00 13.20 H new ATOM 0 HB2 GLU A 68 9.389 14.666 -25.429 1.00 41.13 H new ATOM 0 HB3 GLU A 68 8.813 16.229 -25.971 1.00 41.13 H new ATOM 0 HG2 GLU A 68 10.678 16.279 -27.662 1.00 3.12 H new ATOM 0 HG3 GLU A 68 11.129 14.661 -27.163 1.00 3.12 H new ATOM 1075 N VAL A 69 9.853 15.303 -22.844 1.00 24.34 N ATOM 1076 CA VAL A 69 9.208 15.293 -21.526 1.00 43.33 C ATOM 1077 C VAL A 69 10.107 15.901 -20.429 1.00 24.14 C ATOM 1078 O VAL A 69 9.622 16.577 -19.523 1.00 43.14 O ATOM 1079 CB VAL A 69 8.778 13.862 -21.120 1.00 4.22 C ATOM 1080 CG1 VAL A 69 7.730 13.319 -22.090 1.00 2.30 C ATOM 1081 CG2 VAL A 69 9.982 12.925 -21.045 1.00 52.21 C ATOM 0 H VAL A 69 10.129 14.383 -23.187 1.00 24.34 H new ATOM 0 HA VAL A 69 8.319 15.918 -21.615 1.00 43.33 H new ATOM 0 HB VAL A 69 8.333 13.914 -20.126 1.00 4.22 H new ATOM 0 HG11 VAL A 69 7.441 12.313 -21.787 1.00 2.30 H new ATOM 0 HG12 VAL A 69 6.854 13.967 -22.079 1.00 2.30 H new ATOM 0 HG13 VAL A 69 8.147 13.290 -23.097 1.00 2.30 H new ATOM 0 HG21 VAL A 69 9.649 11.928 -20.758 1.00 52.21 H new ATOM 0 HG22 VAL A 69 10.468 12.879 -22.019 1.00 52.21 H new ATOM 0 HG23 VAL A 69 10.689 13.299 -20.304 1.00 52.21 H new ATOM 1091 N ALA A 70 11.415 15.674 -20.523 1.00 30.04 N ATOM 1092 CA ALA A 70 12.361 16.177 -19.518 1.00 50.53 C ATOM 1093 C ALA A 70 12.436 17.708 -19.516 1.00 63.32 C ATOM 1094 O ALA A 70 12.408 18.334 -18.458 1.00 54.52 O ATOM 1095 CB ALA A 70 13.748 15.588 -19.747 1.00 44.32 C ATOM 0 H ALA A 70 11.848 15.147 -21.281 1.00 30.04 H new ATOM 0 HA ALA A 70 11.992 15.861 -18.542 1.00 50.53 H new ATOM 0 HB1 ALA A 70 14.435 15.972 -18.993 1.00 44.32 H new ATOM 0 HB2 ALA A 70 13.699 14.502 -19.673 1.00 44.32 H new ATOM 0 HB3 ALA A 70 14.103 15.869 -20.738 1.00 44.32 H new ATOM 1101 N ARG A 71 12.526 18.305 -20.703 1.00 70.25 N ATOM 1102 CA ARG A 71 12.651 19.763 -20.824 1.00 52.01 C ATOM 1103 C ARG A 71 11.413 20.498 -20.274 1.00 24.03 C ATOM 1104 O ARG A 71 11.546 21.461 -19.518 1.00 35.02 O ATOM 1105 CB ARG A 71 12.908 20.164 -22.288 1.00 44.54 C ATOM 1106 CG ARG A 71 11.773 19.802 -23.243 1.00 34.42 C ATOM 1107 CD ARG A 71 12.139 20.054 -24.701 1.00 50.13 C ATOM 1108 NE ARG A 71 12.472 21.452 -24.959 1.00 73.44 N ATOM 1109 CZ ARG A 71 12.641 21.960 -26.152 1.00 53.03 C ATOM 1110 NH1 ARG A 71 12.426 21.251 -27.214 1.00 74.30 N ATOM 1111 NH2 ARG A 71 12.999 23.192 -26.280 1.00 61.14 N ATOM 0 H ARG A 71 12.515 17.807 -21.593 1.00 70.25 H new ATOM 0 HA ARG A 71 13.505 20.066 -20.218 1.00 52.01 H new ATOM 0 HB2 ARG A 71 13.078 21.240 -22.334 1.00 44.54 H new ATOM 0 HB3 ARG A 71 13.824 19.682 -22.630 1.00 44.54 H new ATOM 0 HG2 ARG A 71 11.513 18.752 -23.113 1.00 34.42 H new ATOM 0 HG3 ARG A 71 10.887 20.384 -22.988 1.00 34.42 H new ATOM 0 HD2 ARG A 71 12.987 19.425 -24.974 1.00 50.13 H new ATOM 0 HD3 ARG A 71 11.305 19.759 -25.338 1.00 50.13 H new ATOM 0 HE ARG A 71 12.580 22.073 -24.157 1.00 73.44 H new ATOM 0 HH11 ARG A 71 12.120 20.282 -27.127 1.00 74.30 H new ATOM 0 HH12 ARG A 71 12.562 21.662 -28.138 1.00 74.30 H new ATOM 0 HH21 ARG A 71 13.150 23.768 -25.452 1.00 61.14 H new ATOM 0 HH22 ARG A 71 13.132 23.591 -27.209 1.00 61.14 H new ATOM 1125 N GLU A 72 10.214 20.044 -20.651 1.00 35.11 N ATOM 1126 CA GLU A 72 8.978 20.721 -20.229 1.00 21.32 C ATOM 1127 C GLU A 72 8.444 20.219 -18.875 1.00 74.21 C ATOM 1128 O GLU A 72 8.152 21.018 -17.980 1.00 52.21 O ATOM 1129 CB GLU A 72 7.895 20.579 -21.302 1.00 11.31 C ATOM 1130 CG GLU A 72 8.208 21.335 -22.588 1.00 5.24 C ATOM 1131 CD GLU A 72 7.013 21.417 -23.522 1.00 22.40 C ATOM 1132 OE1 GLU A 72 6.039 22.120 -23.178 1.00 31.31 O ATOM 1133 OE2 GLU A 72 7.037 20.784 -24.596 1.00 44.05 O ATOM 0 H GLU A 72 10.070 19.223 -21.239 1.00 35.11 H new ATOM 0 HA GLU A 72 9.234 21.773 -20.100 1.00 21.32 H new ATOM 0 HB2 GLU A 72 7.762 19.522 -21.535 1.00 11.31 H new ATOM 0 HB3 GLU A 72 6.948 20.939 -20.900 1.00 11.31 H new ATOM 0 HG2 GLU A 72 8.541 22.343 -22.341 1.00 5.24 H new ATOM 0 HG3 GLU A 72 9.034 20.843 -23.102 1.00 5.24 H new ATOM 1140 N GLU A 73 8.299 18.904 -18.726 1.00 75.44 N ATOM 1141 CA GLU A 73 7.697 18.331 -17.513 1.00 35.32 C ATOM 1142 C GLU A 73 8.707 18.253 -16.357 1.00 72.15 C ATOM 1143 O GLU A 73 8.398 18.629 -15.224 1.00 25.35 O ATOM 1144 CB GLU A 73 7.119 16.940 -17.811 1.00 25.41 C ATOM 1145 CG GLU A 73 6.171 16.909 -19.010 1.00 1.12 C ATOM 1146 CD GLU A 73 5.056 17.942 -18.915 1.00 75.31 C ATOM 1147 OE1 GLU A 73 4.111 17.737 -18.128 1.00 1.30 O ATOM 1148 OE2 GLU A 73 5.127 18.973 -19.623 1.00 53.51 O ATOM 0 H GLU A 73 8.586 18.215 -19.422 1.00 75.44 H new ATOM 0 HA GLU A 73 6.890 18.994 -17.201 1.00 35.32 H new ATOM 0 HB2 GLU A 73 7.940 16.247 -17.991 1.00 25.41 H new ATOM 0 HB3 GLU A 73 6.587 16.582 -16.930 1.00 25.41 H new ATOM 0 HG2 GLU A 73 6.742 17.082 -19.922 1.00 1.12 H new ATOM 0 HG3 GLU A 73 5.732 15.915 -19.093 1.00 1.12 H new ATOM 1155 N GLY A 74 9.914 17.775 -16.648 1.00 11.21 N ATOM 1156 CA GLY A 74 10.958 17.689 -15.627 1.00 42.33 C ATOM 1157 C GLY A 74 11.763 18.979 -15.479 1.00 35.34 C ATOM 1158 O GLY A 74 11.243 19.999 -15.018 1.00 1.31 O ATOM 0 H GLY A 74 10.193 17.444 -17.572 1.00 11.21 H new ATOM 0 HA2 GLY A 74 10.501 17.442 -14.669 1.00 42.33 H new ATOM 0 HA3 GLY A 74 11.635 16.872 -15.877 1.00 42.33 H new ATOM 1162 N THR A 75 13.036 18.932 -15.865 1.00 35.23 N ATOM 1163 CA THR A 75 13.927 20.100 -15.792 1.00 4.01 C ATOM 1164 C THR A 75 15.108 19.966 -16.762 1.00 11.41 C ATOM 1165 O THR A 75 15.378 18.879 -17.282 1.00 50.34 O ATOM 1166 CB THR A 75 14.476 20.330 -14.360 1.00 20.23 C ATOM 1167 OG1 THR A 75 15.449 21.387 -14.368 1.00 41.52 O ATOM 1168 CG2 THR A 75 15.105 19.063 -13.793 1.00 2.11 C ATOM 0 H THR A 75 13.482 18.093 -16.235 1.00 35.23 H new ATOM 0 HA THR A 75 13.320 20.960 -16.075 1.00 4.01 H new ATOM 0 HB THR A 75 13.636 20.609 -13.724 1.00 20.23 H new ATOM 0 HG1 THR A 75 15.789 21.526 -13.459 1.00 41.52 H new ATOM 0 HG21 THR A 75 15.479 19.261 -12.788 1.00 2.11 H new ATOM 0 HG22 THR A 75 14.356 18.272 -13.752 1.00 2.11 H new ATOM 0 HG23 THR A 75 15.930 18.749 -14.432 1.00 2.11 H new ATOM 1176 N GLN A 76 15.824 21.069 -16.995 1.00 12.35 N ATOM 1177 CA GLN A 76 16.942 21.074 -17.946 1.00 61.15 C ATOM 1178 C GLN A 76 18.097 20.179 -17.466 1.00 72.41 C ATOM 1179 O GLN A 76 18.905 19.713 -18.268 1.00 63.23 O ATOM 1180 CB GLN A 76 17.456 22.503 -18.179 1.00 23.53 C ATOM 1181 CG GLN A 76 18.453 22.609 -19.335 1.00 13.03 C ATOM 1182 CD GLN A 76 19.082 23.985 -19.473 1.00 25.35 C ATOM 1183 OE1 GLN A 76 18.487 25.002 -19.122 1.00 14.32 O ATOM 1184 NE2 GLN A 76 20.290 24.027 -20.000 1.00 44.52 N ATOM 0 H GLN A 76 15.652 21.966 -16.542 1.00 12.35 H new ATOM 0 HA GLN A 76 16.565 20.673 -18.887 1.00 61.15 H new ATOM 0 HB2 GLN A 76 16.608 23.158 -18.379 1.00 23.53 H new ATOM 0 HB3 GLN A 76 17.930 22.864 -17.266 1.00 23.53 H new ATOM 0 HG2 GLN A 76 19.242 21.871 -19.192 1.00 13.03 H new ATOM 0 HG3 GLN A 76 17.945 22.356 -20.266 1.00 13.03 H new ATOM 0 HE21 GLN A 76 20.755 23.163 -20.280 1.00 44.52 H new ATOM 0 HE22 GLN A 76 20.760 24.923 -20.127 1.00 44.52 H new ATOM 1193 N LYS A 77 18.168 19.938 -16.157 1.00 5.22 N ATOM 1194 CA LYS A 77 19.207 19.070 -15.589 1.00 24.13 C ATOM 1195 C LYS A 77 19.099 17.637 -16.141 1.00 34.53 C ATOM 1196 O LYS A 77 20.076 17.078 -16.642 1.00 21.41 O ATOM 1197 CB LYS A 77 19.097 19.055 -14.060 1.00 41.44 C ATOM 1198 CG LYS A 77 20.092 18.122 -13.373 1.00 10.24 C ATOM 1199 CD LYS A 77 19.989 18.209 -11.852 1.00 4.32 C ATOM 1200 CE LYS A 77 18.603 17.819 -11.345 1.00 74.12 C ATOM 1201 NZ LYS A 77 18.465 18.049 -9.883 1.00 20.32 N ATOM 0 H LYS A 77 17.523 20.328 -15.470 1.00 5.22 H new ATOM 0 HA LYS A 77 20.179 19.470 -15.877 1.00 24.13 H new ATOM 0 HB2 LYS A 77 19.247 20.068 -13.686 1.00 41.44 H new ATOM 0 HB3 LYS A 77 18.086 18.759 -13.782 1.00 41.44 H new ATOM 0 HG2 LYS A 77 19.909 17.096 -13.692 1.00 10.24 H new ATOM 0 HG3 LYS A 77 21.105 18.377 -13.684 1.00 10.24 H new ATOM 0 HD2 LYS A 77 20.736 17.556 -11.401 1.00 4.32 H new ATOM 0 HD3 LYS A 77 20.219 19.225 -11.531 1.00 4.32 H new ATOM 0 HE2 LYS A 77 17.846 18.396 -11.877 1.00 74.12 H new ATOM 0 HE3 LYS A 77 18.417 16.768 -11.567 1.00 74.12 H new ATOM 0 HZ1 LYS A 77 17.510 17.772 -9.577 1.00 20.32 H new ATOM 0 HZ2 LYS A 77 19.171 17.480 -9.374 1.00 20.32 H new ATOM 0 HZ3 LYS A 77 18.617 19.056 -9.674 1.00 20.32 H new ATOM 1215 N ASP A 78 17.901 17.060 -16.068 1.00 25.50 N ATOM 1216 CA ASP A 78 17.649 15.734 -16.640 1.00 4.33 C ATOM 1217 C ASP A 78 17.750 15.775 -18.171 1.00 10.13 C ATOM 1218 O ASP A 78 18.235 14.835 -18.802 1.00 54.33 O ATOM 1219 CB ASP A 78 16.274 15.225 -16.198 1.00 61.33 C ATOM 1220 CG ASP A 78 16.211 15.016 -14.696 1.00 62.11 C ATOM 1221 OD1 ASP A 78 15.985 15.998 -13.962 1.00 65.00 O ATOM 1222 OD2 ASP A 78 16.411 13.870 -14.242 1.00 33.35 O ATOM 0 H ASP A 78 17.090 17.487 -15.620 1.00 25.50 H new ATOM 0 HA ASP A 78 18.409 15.044 -16.273 1.00 4.33 H new ATOM 0 HB2 ASP A 78 15.507 15.939 -16.499 1.00 61.33 H new ATOM 0 HB3 ASP A 78 16.052 14.286 -16.706 1.00 61.33 H new ATOM 1227 N LEU A 79 17.296 16.882 -18.757 1.00 23.33 N ATOM 1228 CA LEU A 79 17.438 17.117 -20.196 1.00 62.42 C ATOM 1229 C LEU A 79 18.909 17.009 -20.635 1.00 42.14 C ATOM 1230 O LEU A 79 19.234 16.321 -21.603 1.00 11.13 O ATOM 1231 CB LEU A 79 16.883 18.505 -20.550 1.00 32.13 C ATOM 1232 CG LEU A 79 17.084 18.949 -22.007 1.00 42.43 C ATOM 1233 CD1 LEU A 79 16.332 18.033 -22.965 1.00 32.43 C ATOM 1234 CD2 LEU A 79 16.651 20.402 -22.191 1.00 13.11 C ATOM 0 H LEU A 79 16.824 17.635 -18.256 1.00 23.33 H new ATOM 0 HA LEU A 79 16.872 16.352 -20.727 1.00 62.42 H new ATOM 0 HB2 LEU A 79 15.816 18.517 -20.330 1.00 32.13 H new ATOM 0 HB3 LEU A 79 17.351 19.241 -19.897 1.00 32.13 H new ATOM 0 HG LEU A 79 18.146 18.877 -22.240 1.00 42.43 H new ATOM 0 HD11 LEU A 79 16.491 18.369 -23.990 1.00 32.43 H new ATOM 0 HD12 LEU A 79 16.700 17.013 -22.857 1.00 32.43 H new ATOM 0 HD13 LEU A 79 15.267 18.061 -22.735 1.00 32.43 H new ATOM 0 HD21 LEU A 79 16.801 20.698 -23.229 1.00 13.11 H new ATOM 0 HD22 LEU A 79 15.597 20.503 -21.934 1.00 13.11 H new ATOM 0 HD23 LEU A 79 17.246 21.044 -21.541 1.00 13.11 H new ATOM 1246 N SER A 80 19.796 17.687 -19.907 1.00 4.11 N ATOM 1247 CA SER A 80 21.232 17.673 -20.217 1.00 0.15 C ATOM 1248 C SER A 80 21.831 16.272 -20.032 1.00 14.55 C ATOM 1249 O SER A 80 22.693 15.849 -20.802 1.00 15.33 O ATOM 1250 CB SER A 80 21.986 18.686 -19.343 1.00 73.10 C ATOM 1251 OG SER A 80 23.364 18.737 -19.685 1.00 14.24 O ATOM 0 H SER A 80 19.548 18.255 -19.097 1.00 4.11 H new ATOM 0 HA SER A 80 21.344 17.956 -21.264 1.00 0.15 H new ATOM 0 HB2 SER A 80 21.542 19.674 -19.463 1.00 73.10 H new ATOM 0 HB3 SER A 80 21.879 18.414 -18.293 1.00 73.10 H new ATOM 0 HG SER A 80 23.819 19.391 -19.114 1.00 14.24 H new ATOM 1257 N GLU A 81 21.368 15.558 -19.005 1.00 15.33 N ATOM 1258 CA GLU A 81 21.766 14.161 -18.787 1.00 52.01 C ATOM 1259 C GLU A 81 21.392 13.280 -19.991 1.00 74.22 C ATOM 1260 O GLU A 81 22.192 12.467 -20.450 1.00 71.33 O ATOM 1261 CB GLU A 81 21.100 13.608 -17.519 1.00 62.01 C ATOM 1262 CG GLU A 81 21.653 14.178 -16.217 1.00 10.22 C ATOM 1263 CD GLU A 81 23.094 13.760 -15.957 1.00 60.43 C ATOM 1264 OE1 GLU A 81 23.382 12.542 -16.025 1.00 3.30 O ATOM 1265 OE2 GLU A 81 23.936 14.635 -15.657 1.00 42.13 O ATOM 0 H GLU A 81 20.717 15.922 -18.309 1.00 15.33 H new ATOM 0 HA GLU A 81 22.849 14.140 -18.667 1.00 52.01 H new ATOM 0 HB2 GLU A 81 20.031 13.813 -17.566 1.00 62.01 H new ATOM 0 HB3 GLU A 81 21.216 12.524 -17.505 1.00 62.01 H new ATOM 0 HG2 GLU A 81 21.595 15.266 -16.248 1.00 10.22 H new ATOM 0 HG3 GLU A 81 21.028 13.849 -15.387 1.00 10.22 H new ATOM 1272 N LEU A 82 20.169 13.450 -20.494 1.00 2.42 N ATOM 1273 CA LEU A 82 19.687 12.697 -21.661 1.00 14.24 C ATOM 1274 C LEU A 82 20.473 13.052 -22.934 1.00 30.34 C ATOM 1275 O LEU A 82 20.842 12.170 -23.713 1.00 5.41 O ATOM 1276 CB LEU A 82 18.190 12.965 -21.869 1.00 53.20 C ATOM 1277 CG LEU A 82 17.279 12.439 -20.747 1.00 33.20 C ATOM 1278 CD1 LEU A 82 15.870 13.001 -20.887 1.00 23.44 C ATOM 1279 CD2 LEU A 82 17.252 10.911 -20.748 1.00 52.25 C ATOM 0 H LEU A 82 19.488 14.106 -20.111 1.00 2.42 H new ATOM 0 HA LEU A 82 19.844 11.636 -21.465 1.00 14.24 H new ATOM 0 HB2 LEU A 82 18.038 14.040 -21.968 1.00 53.20 H new ATOM 0 HB3 LEU A 82 17.881 12.512 -22.811 1.00 53.20 H new ATOM 0 HG LEU A 82 17.686 12.774 -19.793 1.00 33.20 H new ATOM 0 HD11 LEU A 82 15.243 12.616 -20.083 1.00 23.44 H new ATOM 0 HD12 LEU A 82 15.905 14.089 -20.830 1.00 23.44 H new ATOM 0 HD13 LEU A 82 15.452 12.701 -21.848 1.00 23.44 H new ATOM 0 HD21 LEU A 82 16.602 10.558 -19.947 1.00 52.25 H new ATOM 0 HD22 LEU A 82 16.874 10.554 -21.706 1.00 52.25 H new ATOM 0 HD23 LEU A 82 18.261 10.529 -20.591 1.00 52.25 H new ATOM 1291 N GLN A 83 20.726 14.345 -23.142 1.00 54.03 N ATOM 1292 CA GLN A 83 21.509 14.800 -24.297 1.00 52.05 C ATOM 1293 C GLN A 83 22.957 14.283 -24.223 1.00 74.25 C ATOM 1294 O GLN A 83 23.551 13.914 -25.238 1.00 3.31 O ATOM 1295 CB GLN A 83 21.490 16.334 -24.392 1.00 0.21 C ATOM 1296 CG GLN A 83 20.091 16.923 -24.561 1.00 4.11 C ATOM 1297 CD GLN A 83 20.093 18.437 -24.695 1.00 71.21 C ATOM 1298 OE1 GLN A 83 20.138 18.979 -25.796 1.00 53.21 O ATOM 1299 NE2 GLN A 83 20.057 19.133 -23.577 1.00 41.45 N ATOM 0 H GLN A 83 20.403 15.094 -22.530 1.00 54.03 H new ATOM 0 HA GLN A 83 21.050 14.390 -25.197 1.00 52.05 H new ATOM 0 HB2 GLN A 83 21.943 16.750 -23.492 1.00 0.21 H new ATOM 0 HB3 GLN A 83 22.109 16.644 -25.234 1.00 0.21 H new ATOM 0 HG2 GLN A 83 19.624 16.487 -25.444 1.00 4.11 H new ATOM 0 HG3 GLN A 83 19.479 16.641 -23.704 1.00 4.11 H new ATOM 0 HE21 GLN A 83 20.020 18.652 -22.678 1.00 41.45 H new ATOM 0 HE22 GLN A 83 20.066 20.152 -23.610 1.00 41.45 H new ATOM 1308 N ASP A 84 23.515 14.255 -23.015 1.00 3.22 N ATOM 1309 CA ASP A 84 24.851 13.694 -22.783 1.00 64.25 C ATOM 1310 C ASP A 84 24.846 12.172 -22.999 1.00 53.52 C ATOM 1311 O ASP A 84 25.770 11.610 -23.592 1.00 51.43 O ATOM 1312 CB ASP A 84 25.315 14.032 -21.360 1.00 74.23 C ATOM 1313 CG ASP A 84 26.686 13.464 -21.036 1.00 72.11 C ATOM 1314 OD1 ASP A 84 27.691 13.983 -21.561 1.00 32.51 O ATOM 1315 OD2 ASP A 84 26.768 12.499 -20.244 1.00 34.51 O ATOM 0 H ASP A 84 23.063 14.616 -22.175 1.00 3.22 H new ATOM 0 HA ASP A 84 25.546 14.135 -23.498 1.00 64.25 H new ATOM 0 HB2 ASP A 84 25.338 15.115 -21.238 1.00 74.23 H new ATOM 0 HB3 ASP A 84 24.589 13.646 -20.645 1.00 74.23 H new ATOM 1320 N ALA A 85 23.786 11.517 -22.525 1.00 11.13 N ATOM 1321 CA ALA A 85 23.632 10.067 -22.669 1.00 72.22 C ATOM 1322 C ALA A 85 23.632 9.639 -24.144 1.00 35.31 C ATOM 1323 O ALA A 85 24.378 8.741 -24.539 1.00 62.51 O ATOM 1324 CB ALA A 85 22.356 9.602 -21.977 1.00 35.04 C ATOM 0 H ALA A 85 23.015 11.971 -22.034 1.00 11.13 H new ATOM 0 HA ALA A 85 24.489 9.592 -22.191 1.00 72.22 H new ATOM 0 HB1 ALA A 85 22.253 8.523 -22.091 1.00 35.04 H new ATOM 0 HB2 ALA A 85 22.405 9.852 -20.917 1.00 35.04 H new ATOM 0 HB3 ALA A 85 21.496 10.098 -22.427 1.00 35.04 H new ATOM 1330 N LYS A 86 22.806 10.290 -24.962 1.00 71.11 N ATOM 1331 CA LYS A 86 22.780 9.998 -26.398 1.00 34.05 C ATOM 1332 C LYS A 86 24.093 10.425 -27.072 1.00 5.24 C ATOM 1333 O LYS A 86 24.560 9.764 -27.991 1.00 61.13 O ATOM 1334 CB LYS A 86 21.583 10.674 -27.085 1.00 61.25 C ATOM 1335 CG LYS A 86 21.560 12.192 -26.952 1.00 12.24 C ATOM 1336 CD LYS A 86 20.369 12.809 -27.680 1.00 33.14 C ATOM 1337 CE LYS A 86 20.494 12.675 -29.196 1.00 64.24 C ATOM 1338 NZ LYS A 86 21.652 13.441 -29.735 1.00 1.23 N ATOM 0 H LYS A 86 22.153 11.014 -24.662 1.00 71.11 H new ATOM 0 HA LYS A 86 22.670 8.919 -26.509 1.00 34.05 H new ATOM 0 HB2 LYS A 86 21.592 10.414 -28.143 1.00 61.25 H new ATOM 0 HB3 LYS A 86 20.662 10.270 -26.665 1.00 61.25 H new ATOM 0 HG2 LYS A 86 21.521 12.463 -25.897 1.00 12.24 H new ATOM 0 HG3 LYS A 86 22.485 12.606 -27.354 1.00 12.24 H new ATOM 0 HD2 LYS A 86 19.451 12.325 -27.348 1.00 33.14 H new ATOM 0 HD3 LYS A 86 20.288 13.863 -27.415 1.00 33.14 H new ATOM 0 HE2 LYS A 86 20.603 11.623 -29.458 1.00 64.24 H new ATOM 0 HE3 LYS A 86 19.576 13.028 -29.667 1.00 64.24 H new ATOM 0 HZ1 LYS A 86 21.316 14.128 -30.440 1.00 1.23 H new ATOM 0 HZ2 LYS A 86 22.126 13.945 -28.959 1.00 1.23 H new ATOM 0 HZ3 LYS A 86 22.324 12.785 -30.183 1.00 1.23 H new ATOM 1352 N LEU A 87 24.692 11.515 -26.590 1.00 34.31 N ATOM 1353 CA LEU A 87 25.959 12.012 -27.143 1.00 23.43 C ATOM 1354 C LEU A 87 27.075 10.958 -27.039 1.00 3.43 C ATOM 1355 O LEU A 87 27.732 10.639 -28.034 1.00 61.12 O ATOM 1356 CB LEU A 87 26.383 13.303 -26.427 1.00 65.32 C ATOM 1357 CG LEU A 87 27.693 13.942 -26.924 1.00 43.02 C ATOM 1358 CD1 LEU A 87 27.603 14.300 -28.406 1.00 34.21 C ATOM 1359 CD2 LEU A 87 28.037 15.177 -26.094 1.00 31.55 C ATOM 0 H LEU A 87 24.323 12.072 -25.819 1.00 34.31 H new ATOM 0 HA LEU A 87 25.798 12.224 -28.200 1.00 23.43 H new ATOM 0 HB2 LEU A 87 25.581 14.034 -26.530 1.00 65.32 H new ATOM 0 HB3 LEU A 87 26.485 13.090 -25.363 1.00 65.32 H new ATOM 0 HG LEU A 87 28.491 13.210 -26.803 1.00 43.02 H new ATOM 0 HD11 LEU A 87 28.542 14.749 -28.729 1.00 34.21 H new ATOM 0 HD12 LEU A 87 27.413 13.398 -28.987 1.00 34.21 H new ATOM 0 HD13 LEU A 87 26.789 15.009 -28.560 1.00 34.21 H new ATOM 0 HD21 LEU A 87 28.966 15.614 -26.460 1.00 31.55 H new ATOM 0 HD22 LEU A 87 27.233 15.908 -26.179 1.00 31.55 H new ATOM 0 HD23 LEU A 87 28.158 14.891 -25.049 1.00 31.55 H new ATOM 1371 N LYS A 88 27.287 10.414 -25.836 1.00 2.51 N ATOM 1372 CA LYS A 88 28.304 9.373 -25.641 1.00 61.15 C ATOM 1373 C LYS A 88 27.891 8.059 -26.325 1.00 22.41 C ATOM 1374 O LYS A 88 28.742 7.279 -26.750 1.00 50.00 O ATOM 1375 CB LYS A 88 28.611 9.170 -24.140 1.00 53.02 C ATOM 1376 CG LYS A 88 27.404 8.858 -23.246 1.00 3.11 C ATOM 1377 CD LYS A 88 27.025 7.376 -23.248 1.00 25.44 C ATOM 1378 CE LYS A 88 25.911 7.081 -22.245 1.00 14.12 C ATOM 1379 NZ LYS A 88 26.326 7.375 -20.847 1.00 2.32 N ATOM 0 H LYS A 88 26.776 10.672 -24.992 1.00 2.51 H new ATOM 0 HA LYS A 88 29.226 9.708 -26.117 1.00 61.15 H new ATOM 0 HB2 LYS A 88 29.331 8.357 -24.043 1.00 53.02 H new ATOM 0 HB3 LYS A 88 29.095 10.071 -23.763 1.00 53.02 H new ATOM 0 HG2 LYS A 88 27.625 9.169 -22.225 1.00 3.11 H new ATOM 0 HG3 LYS A 88 26.549 9.446 -23.581 1.00 3.11 H new ATOM 0 HD2 LYS A 88 26.703 7.083 -24.247 1.00 25.44 H new ATOM 0 HD3 LYS A 88 27.902 6.775 -23.007 1.00 25.44 H new ATOM 0 HE2 LYS A 88 25.032 7.675 -22.495 1.00 14.12 H new ATOM 0 HE3 LYS A 88 25.620 6.033 -22.324 1.00 14.12 H new ATOM 0 HZ1 LYS A 88 26.171 6.534 -20.255 1.00 2.32 H new ATOM 0 HZ2 LYS A 88 27.334 7.629 -20.830 1.00 2.32 H new ATOM 0 HZ3 LYS A 88 25.763 8.168 -20.477 1.00 2.32 H new ATOM 1393 N ALA A 89 26.581 7.830 -26.447 1.00 43.11 N ATOM 1394 CA ALA A 89 26.065 6.683 -27.204 1.00 25.04 C ATOM 1395 C ALA A 89 26.428 6.806 -28.695 1.00 24.34 C ATOM 1396 O ALA A 89 26.834 5.834 -29.335 1.00 30.23 O ATOM 1397 CB ALA A 89 24.554 6.560 -27.029 1.00 3.00 C ATOM 0 H ALA A 89 25.859 8.420 -26.034 1.00 43.11 H new ATOM 0 HA ALA A 89 26.531 5.779 -26.812 1.00 25.04 H new ATOM 0 HB1 ALA A 89 24.190 5.704 -27.598 1.00 3.00 H new ATOM 0 HB2 ALA A 89 24.320 6.420 -25.974 1.00 3.00 H new ATOM 0 HB3 ALA A 89 24.071 7.468 -27.391 1.00 3.00 H new ATOM 1403 N GLU A 90 26.288 8.017 -29.233 1.00 33.41 N ATOM 1404 CA GLU A 90 26.678 8.311 -30.617 1.00 33.13 C ATOM 1405 C GLU A 90 28.207 8.289 -30.772 1.00 52.41 C ATOM 1406 O GLU A 90 28.733 8.073 -31.865 1.00 33.11 O ATOM 1407 CB GLU A 90 26.121 9.682 -31.037 1.00 41.14 C ATOM 1408 CG GLU A 90 24.596 9.753 -31.011 1.00 51.24 C ATOM 1409 CD GLU A 90 24.054 11.148 -31.282 1.00 5.02 C ATOM 1410 OE1 GLU A 90 23.837 11.485 -32.467 1.00 3.53 O ATOM 1411 OE2 GLU A 90 23.836 11.912 -30.315 1.00 60.52 O ATOM 0 H GLU A 90 25.905 8.817 -28.730 1.00 33.41 H new ATOM 0 HA GLU A 90 26.260 7.541 -31.265 1.00 33.13 H new ATOM 0 HB2 GLU A 90 26.524 10.448 -30.374 1.00 41.14 H new ATOM 0 HB3 GLU A 90 26.471 9.915 -32.043 1.00 41.14 H new ATOM 0 HG2 GLU A 90 24.194 9.064 -31.754 1.00 51.24 H new ATOM 0 HG3 GLU A 90 24.240 9.415 -30.038 1.00 51.24 H new ATOM 1418 N GLY A 91 28.912 8.511 -29.662 1.00 12.25 N ATOM 1419 CA GLY A 91 30.371 8.494 -29.665 1.00 74.45 C ATOM 1420 C GLY A 91 30.969 7.120 -29.352 1.00 24.53 C ATOM 1421 O GLY A 91 32.187 6.985 -29.234 1.00 41.32 O ATOM 0 H GLY A 91 28.495 8.704 -28.752 1.00 12.25 H new ATOM 0 HA2 GLY A 91 30.728 8.822 -30.641 1.00 74.45 H new ATOM 0 HA3 GLY A 91 30.736 9.215 -28.933 1.00 74.45 H new ATOM 1425 N LEU A 92 30.118 6.099 -29.206 1.00 64.13 N ATOM 1426 CA LEU A 92 30.592 4.725 -28.960 1.00 1.33 C ATOM 1427 C LEU A 92 31.446 4.215 -30.130 1.00 30.22 C ATOM 1428 O LEU A 92 32.474 3.561 -29.928 1.00 34.23 O ATOM 1429 CB LEU A 92 29.407 3.773 -28.726 1.00 62.32 C ATOM 1430 CG LEU A 92 28.590 4.033 -27.448 1.00 72.11 C ATOM 1431 CD1 LEU A 92 27.403 3.077 -27.359 1.00 52.25 C ATOM 1432 CD2 LEU A 92 29.470 3.913 -26.206 1.00 1.21 C ATOM 0 H LEU A 92 29.103 6.192 -29.253 1.00 64.13 H new ATOM 0 HA LEU A 92 31.211 4.747 -28.063 1.00 1.33 H new ATOM 0 HB2 LEU A 92 28.737 3.837 -29.584 1.00 62.32 H new ATOM 0 HB3 LEU A 92 29.785 2.751 -28.693 1.00 62.32 H new ATOM 0 HG LEU A 92 28.206 5.052 -27.496 1.00 72.11 H new ATOM 0 HD11 LEU A 92 26.840 3.279 -26.448 1.00 52.25 H new ATOM 0 HD12 LEU A 92 26.756 3.219 -28.224 1.00 52.25 H new ATOM 0 HD13 LEU A 92 27.764 2.049 -27.341 1.00 52.25 H new ATOM 0 HD21 LEU A 92 28.870 4.101 -25.316 1.00 1.21 H new ATOM 0 HD22 LEU A 92 29.891 2.909 -26.154 1.00 1.21 H new ATOM 0 HD23 LEU A 92 30.277 4.643 -26.260 1.00 1.21 H new ATOM 1444 N GLU A 93 31.009 4.522 -31.351 1.00 51.34 N ATOM 1445 CA GLU A 93 31.728 4.125 -32.566 1.00 41.53 C ATOM 1446 C GLU A 93 31.221 4.905 -33.791 1.00 64.20 C ATOM 1447 O GLU A 93 30.140 5.497 -33.761 1.00 31.14 O ATOM 1448 CB GLU A 93 31.594 2.614 -32.804 1.00 10.42 C ATOM 1449 CG GLU A 93 30.157 2.131 -32.971 1.00 62.40 C ATOM 1450 CD GLU A 93 30.077 0.629 -33.189 1.00 63.22 C ATOM 1451 OE1 GLU A 93 30.398 0.175 -34.308 1.00 51.10 O ATOM 1452 OE2 GLU A 93 29.712 -0.102 -32.247 1.00 32.25 O ATOM 0 H GLU A 93 30.154 5.049 -31.528 1.00 51.34 H new ATOM 0 HA GLU A 93 32.782 4.365 -32.423 1.00 41.53 H new ATOM 0 HB2 GLU A 93 32.161 2.347 -33.696 1.00 10.42 H new ATOM 0 HB3 GLU A 93 32.048 2.084 -31.967 1.00 10.42 H new ATOM 0 HG2 GLU A 93 29.580 2.399 -32.086 1.00 62.40 H new ATOM 0 HG3 GLU A 93 29.699 2.644 -33.817 1.00 62.40 H new ATOM 1459 N HIS A 94 32.003 4.905 -34.869 1.00 12.34 N ATOM 1460 CA HIS A 94 31.645 5.655 -36.081 1.00 23.23 C ATOM 1461 C HIS A 94 31.247 4.724 -37.240 1.00 14.41 C ATOM 1462 O HIS A 94 32.103 4.152 -37.917 1.00 74.42 O ATOM 1463 CB HIS A 94 32.808 6.562 -36.507 1.00 70.43 C ATOM 1464 CG HIS A 94 33.144 7.621 -35.499 1.00 45.23 C ATOM 1465 ND1 HIS A 94 34.193 7.515 -34.611 1.00 31.21 N ATOM 1466 CD2 HIS A 94 32.561 8.816 -35.238 1.00 65.14 C ATOM 1467 CE1 HIS A 94 34.240 8.589 -33.851 1.00 21.54 C ATOM 1468 NE2 HIS A 94 33.263 9.395 -34.210 1.00 21.32 N ATOM 0 H HIS A 94 32.886 4.398 -34.932 1.00 12.34 H new ATOM 0 HA HIS A 94 30.777 6.268 -35.840 1.00 23.23 H new ATOM 0 HB2 HIS A 94 33.691 5.948 -36.684 1.00 70.43 H new ATOM 0 HB3 HIS A 94 32.557 7.040 -37.454 1.00 70.43 H new ATOM 0 HD2 HIS A 94 31.704 9.235 -35.744 1.00 65.14 H new ATOM 0 HE1 HIS A 94 34.958 8.777 -33.066 1.00 21.54 H new ATOM 0 HE2 HIS A 94 33.060 10.303 -33.792 1.00 21.32 H new ATOM 1477 N HIS A 95 29.939 4.582 -37.457 1.00 53.23 N ATOM 1478 CA HIS A 95 29.408 3.786 -38.572 1.00 45.23 C ATOM 1479 C HIS A 95 29.460 4.574 -39.892 1.00 14.41 C ATOM 1480 O HIS A 95 29.044 5.734 -39.953 1.00 12.02 O ATOM 1481 CB HIS A 95 27.962 3.355 -38.282 1.00 73.01 C ATOM 1482 CG HIS A 95 27.830 2.435 -37.106 1.00 53.43 C ATOM 1483 ND1 HIS A 95 27.038 2.713 -36.013 1.00 62.33 N ATOM 1484 CD2 HIS A 95 28.386 1.225 -36.862 1.00 45.20 C ATOM 1485 CE1 HIS A 95 27.117 1.720 -35.150 1.00 10.32 C ATOM 1486 NE2 HIS A 95 27.929 0.805 -35.639 1.00 33.43 N ATOM 0 H HIS A 95 29.221 5.010 -36.873 1.00 53.23 H new ATOM 0 HA HIS A 95 30.034 2.899 -38.675 1.00 45.23 H new ATOM 0 HB2 HIS A 95 27.356 4.244 -38.106 1.00 73.01 H new ATOM 0 HB3 HIS A 95 27.556 2.862 -39.165 1.00 73.01 H new ATOM 0 HD2 HIS A 95 29.064 0.690 -37.510 1.00 45.20 H new ATOM 0 HE1 HIS A 95 26.603 1.666 -34.202 1.00 10.32 H new ATOM 0 HE2 HIS A 95 28.177 -0.073 -35.182 1.00 33.43 H new ATOM 1495 N HIS A 96 29.966 3.938 -40.945 1.00 34.31 N ATOM 1496 CA HIS A 96 30.098 4.590 -42.252 1.00 42.31 C ATOM 1497 C HIS A 96 28.917 4.243 -43.170 1.00 44.41 C ATOM 1498 O HIS A 96 28.842 3.138 -43.708 1.00 2.23 O ATOM 1499 CB HIS A 96 31.413 4.172 -42.921 1.00 4.15 C ATOM 1500 CG HIS A 96 31.723 4.949 -44.167 1.00 33.32 C ATOM 1501 ND1 HIS A 96 31.231 4.614 -45.412 1.00 22.23 N ATOM 1502 CD2 HIS A 96 32.476 6.061 -44.354 1.00 61.32 C ATOM 1503 CE1 HIS A 96 31.666 5.480 -46.303 1.00 63.23 C ATOM 1504 NE2 HIS A 96 32.421 6.366 -45.691 1.00 0.22 N ATOM 0 H HIS A 96 30.292 2.972 -40.923 1.00 34.31 H new ATOM 0 HA HIS A 96 30.100 5.668 -42.089 1.00 42.31 H new ATOM 0 HB2 HIS A 96 32.230 4.299 -42.210 1.00 4.15 H new ATOM 0 HB3 HIS A 96 31.366 3.111 -43.166 1.00 4.15 H new ATOM 0 HD2 HIS A 96 33.017 6.605 -43.594 1.00 61.32 H new ATOM 0 HE1 HIS A 96 31.441 5.465 -47.359 1.00 63.23 H new ATOM 0 HE2 HIS A 96 32.890 7.153 -46.138 1.00 0.22 H new ATOM 1513 N HIS A 97 27.997 5.187 -43.349 1.00 44.14 N ATOM 1514 CA HIS A 97 26.846 4.975 -44.233 1.00 34.00 C ATOM 1515 C HIS A 97 26.386 6.279 -44.893 1.00 23.13 C ATOM 1516 O HIS A 97 26.744 7.370 -44.449 1.00 71.33 O ATOM 1517 CB HIS A 97 25.685 4.321 -43.467 1.00 14.31 C ATOM 1518 CG HIS A 97 25.255 5.047 -42.225 1.00 15.45 C ATOM 1519 ND1 HIS A 97 25.582 4.618 -40.958 1.00 64.33 N ATOM 1520 CD2 HIS A 97 24.489 6.154 -42.054 1.00 72.42 C ATOM 1521 CE1 HIS A 97 25.039 5.419 -40.067 1.00 11.12 C ATOM 1522 NE2 HIS A 97 24.369 6.359 -40.701 1.00 22.13 N ATOM 0 H HIS A 97 28.022 6.102 -42.899 1.00 44.14 H new ATOM 0 HA HIS A 97 27.167 4.300 -45.027 1.00 34.00 H new ATOM 0 HB2 HIS A 97 24.829 4.239 -44.136 1.00 14.31 H new ATOM 0 HB3 HIS A 97 25.975 3.306 -43.194 1.00 14.31 H new ATOM 0 HD2 HIS A 97 24.055 6.760 -42.835 1.00 72.42 H new ATOM 0 HE1 HIS A 97 25.128 5.322 -38.995 1.00 11.12 H new ATOM 0 HE2 HIS A 97 23.846 7.116 -40.260 1.00 22.13 H new ATOM 1531 N HIS A 98 25.587 6.151 -45.951 1.00 42.43 N ATOM 1532 CA HIS A 98 25.080 7.310 -46.695 1.00 33.43 C ATOM 1533 C HIS A 98 24.343 8.300 -45.776 1.00 13.04 C ATOM 1534 O HIS A 98 23.469 7.914 -44.998 1.00 20.01 O ATOM 1535 CB HIS A 98 24.144 6.837 -47.817 1.00 3.30 C ATOM 1536 CG HIS A 98 23.509 7.953 -48.594 1.00 61.10 C ATOM 1537 ND1 HIS A 98 22.287 8.497 -48.260 1.00 52.10 N ATOM 1538 CD2 HIS A 98 23.921 8.621 -49.699 1.00 35.14 C ATOM 1539 CE1 HIS A 98 21.976 9.443 -49.121 1.00 30.11 C ATOM 1540 NE2 HIS A 98 22.948 9.541 -50.002 1.00 54.50 N ATOM 0 H HIS A 98 25.273 5.252 -46.316 1.00 42.43 H new ATOM 0 HA HIS A 98 25.935 7.833 -47.125 1.00 33.43 H new ATOM 0 HB2 HIS A 98 24.707 6.205 -48.503 1.00 3.30 H new ATOM 0 HB3 HIS A 98 23.359 6.217 -47.384 1.00 3.30 H new ATOM 0 HD2 HIS A 98 24.842 8.460 -50.240 1.00 35.14 H new ATOM 0 HE1 HIS A 98 21.075 10.038 -49.107 1.00 30.11 H new ATOM 0 HE2 HIS A 98 22.975 10.195 -50.784 1.00 54.50 H new ATOM 1549 N HIS A 99 24.709 9.576 -45.875 1.00 63.25 N ATOM 1550 CA HIS A 99 24.064 10.644 -45.096 1.00 72.43 C ATOM 1551 C HIS A 99 23.916 11.937 -45.928 1.00 43.03 C ATOM 1552 O HIS A 99 22.771 12.296 -46.277 1.00 36.86 O ATOM 1553 CB HIS A 99 24.835 10.907 -43.787 1.00 24.00 C ATOM 1554 CG HIS A 99 26.325 11.027 -43.949 1.00 44.11 C ATOM 1555 ND1 HIS A 99 27.182 9.953 -43.837 1.00 13.22 N ATOM 1556 CD2 HIS A 99 27.113 12.101 -44.200 1.00 34.03 C ATOM 1557 CE1 HIS A 99 28.423 10.357 -44.011 1.00 75.42 C ATOM 1558 NE2 HIS A 99 28.409 11.654 -44.233 1.00 61.44 N ATOM 1559 OXT HIS A 99 24.946 12.568 -46.257 1.00 36.86 O ATOM 0 H HIS A 99 25.454 9.903 -46.490 1.00 63.25 H new ATOM 0 HA HIS A 99 23.060 10.309 -44.835 1.00 72.43 H new ATOM 0 HB2 HIS A 99 24.457 11.825 -43.337 1.00 24.00 H new ATOM 0 HB3 HIS A 99 24.623 10.098 -43.088 1.00 24.00 H new ATOM 0 HD1 HIS A 99 26.898 8.992 -43.648 1.00 13.22 H new ATOM 0 HD2 HIS A 99 26.782 13.119 -44.347 1.00 34.03 H new ATOM 0 HE1 HIS A 99 29.302 9.731 -43.977 1.00 75.42 H new TER 1568 HIS A 99