USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 602 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 72 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0461) USER MOD Set 1.2: A 75 GLN : amide:sc= -1.92! C(o=-1.9!,f=-7.2!) USER MOD Set 2.1: A 12 LYS NZ :NH3+ -156:sc= 0.247 (180deg=0) USER MOD Set 2.2: A 13 TYR OH : rot 180:sc= 0.243 USER MOD Single : A 1 LYS N :NH3+ 139:sc= 0.0388 (180deg=-0.275) USER MOD Single : A 1 LYS NZ :NH3+ 166:sc= 1.17 (180deg=1.02) USER MOD Single : A 2 SER OG : rot 180:sc= 0.00626 USER MOD Single : A 7 LYS NZ :NH3+ -170:sc= 1.18 (180deg=1.13) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= 1.21 K(o=1.2,f=-0.1) USER MOD Single : A 22 GLN : amide:sc= -0.447 K(o=-0.45,f=-1.8!) USER MOD Single : A 24 SER OG : rot 31:sc= 1.26 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -164:sc= -1.83! (180deg=-2.4!) USER MOD Single : A 33 GLN :FLIP amide:sc= -0.0126 F(o=-1.2,f=-0.013) USER MOD Single : A 34 THR OG1 : rot 79:sc= 1.16 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -159:sc= 0.0389 (180deg=0.00263) USER MOD Single : A 56 ASN :FLIP amide:sc= -1.04 F(o=-2.6!,f=-1) USER MOD Single : A 62 SER OG : rot -89:sc= 1.23 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -0.081 0.570 -0.575 1.00 24.53 N ATOM 2 CA LYS A 1 0.918 0.983 -1.584 1.00 14.02 C ATOM 3 C LYS A 1 2.321 0.704 -1.078 1.00 70.30 C ATOM 4 O LYS A 1 2.506 0.303 0.070 1.00 1.00 O ATOM 5 CB LYS A 1 0.770 2.471 -1.916 1.00 12.32 C ATOM 6 CG LYS A 1 0.856 3.380 -0.700 1.00 24.31 C ATOM 7 CD LYS A 1 0.650 4.844 -1.065 1.00 44.04 C ATOM 8 CE LYS A 1 -0.492 5.029 -2.052 1.00 35.14 C ATOM 9 NZ LYS A 1 -0.738 6.461 -2.359 1.00 13.44 N ATOM 0 H1 LYS A 1 -0.838 1.281 -0.525 1.00 24.53 H new ATOM 0 H2 LYS A 1 -0.486 -0.349 -0.844 1.00 24.53 H new ATOM 0 H3 LYS A 1 0.378 0.487 0.354 1.00 24.53 H new ATOM 0 HA LYS A 1 0.745 0.405 -2.492 1.00 14.02 H new ATOM 0 HB2 LYS A 1 1.547 2.755 -2.626 1.00 12.32 H new ATOM 0 HB3 LYS A 1 -0.188 2.630 -2.411 1.00 12.32 H new ATOM 0 HG2 LYS A 1 0.105 3.080 0.031 1.00 24.31 H new ATOM 0 HG3 LYS A 1 1.829 3.259 -0.225 1.00 24.31 H new ATOM 0 HD2 LYS A 1 0.445 5.418 -0.161 1.00 44.04 H new ATOM 0 HD3 LYS A 1 1.569 5.243 -1.494 1.00 44.04 H new ATOM 0 HE2 LYS A 1 -0.264 4.495 -2.974 1.00 35.14 H new ATOM 0 HE3 LYS A 1 -1.400 4.585 -1.643 1.00 35.14 H new ATOM 0 HZ1 LYS A 1 -1.349 6.536 -3.197 1.00 13.44 H new ATOM 0 HZ2 LYS A 1 -1.205 6.915 -1.548 1.00 13.44 H new ATOM 0 HZ3 LYS A 1 0.168 6.936 -2.547 1.00 13.44 H new ATOM 23 N SER A 2 3.296 0.927 -1.940 1.00 34.21 N ATOM 24 CA SER A 2 4.689 0.710 -1.603 1.00 32.12 C ATOM 25 C SER A 2 5.221 1.868 -0.764 1.00 65.11 C ATOM 26 O SER A 2 4.638 2.955 -0.761 1.00 65.54 O ATOM 27 CB SER A 2 5.500 0.577 -2.894 1.00 71.32 C ATOM 28 OG SER A 2 5.287 1.697 -3.736 1.00 32.21 O ATOM 0 H SER A 2 3.144 1.263 -2.891 1.00 34.21 H new ATOM 0 HA SER A 2 4.781 -0.205 -1.017 1.00 32.12 H new ATOM 0 HB2 SER A 2 6.560 0.491 -2.656 1.00 71.32 H new ATOM 0 HB3 SER A 2 5.215 -0.336 -3.416 1.00 71.32 H new ATOM 0 HG SER A 2 5.815 1.595 -4.555 1.00 32.21 H new ATOM 34 N PRO A 3 6.337 1.655 -0.045 1.00 71.21 N ATOM 35 CA PRO A 3 6.995 2.714 0.727 1.00 2.23 C ATOM 36 C PRO A 3 7.441 3.863 -0.170 1.00 61.24 C ATOM 37 O PRO A 3 7.689 4.973 0.296 1.00 63.22 O ATOM 38 CB PRO A 3 8.215 2.019 1.343 1.00 23.04 C ATOM 39 CG PRO A 3 7.903 0.563 1.293 1.00 41.14 C ATOM 40 CD PRO A 3 7.040 0.366 0.081 1.00 62.50 C ATOM 0 HA PRO A 3 6.329 3.153 1.470 1.00 2.23 H new ATOM 0 HB2 PRO A 3 9.122 2.247 0.783 1.00 23.04 H new ATOM 0 HB3 PRO A 3 8.381 2.351 2.368 1.00 23.04 H new ATOM 0 HG2 PRO A 3 8.815 -0.029 1.223 1.00 41.14 H new ATOM 0 HG3 PRO A 3 7.385 0.244 2.197 1.00 41.14 H new ATOM 0 HD2 PRO A 3 7.635 0.143 -0.805 1.00 62.50 H new ATOM 0 HD3 PRO A 3 6.343 -0.462 0.213 1.00 62.50 H new ATOM 48 N GLU A 4 7.520 3.580 -1.465 1.00 63.20 N ATOM 49 CA GLU A 4 7.951 4.561 -2.451 1.00 73.44 C ATOM 50 C GLU A 4 6.897 5.648 -2.598 1.00 71.23 C ATOM 51 O GLU A 4 7.209 6.840 -2.624 1.00 12.14 O ATOM 52 CB GLU A 4 8.211 3.862 -3.788 1.00 31.30 C ATOM 53 CG GLU A 4 9.387 2.898 -3.733 1.00 5.43 C ATOM 54 CD GLU A 4 9.416 1.916 -4.889 1.00 31.51 C ATOM 55 OE1 GLU A 4 9.553 2.353 -6.049 1.00 24.22 O ATOM 56 OE2 GLU A 4 9.304 0.693 -4.635 1.00 62.31 O ATOM 0 H GLU A 4 7.288 2.668 -1.859 1.00 63.20 H new ATOM 0 HA GLU A 4 8.877 5.031 -2.120 1.00 73.44 H new ATOM 0 HB2 GLU A 4 7.315 3.318 -4.088 1.00 31.30 H new ATOM 0 HB3 GLU A 4 8.399 4.614 -4.555 1.00 31.30 H new ATOM 0 HG2 GLU A 4 10.315 3.469 -3.728 1.00 5.43 H new ATOM 0 HG3 GLU A 4 9.349 2.343 -2.796 1.00 5.43 H new ATOM 63 N GLU A 5 5.647 5.222 -2.668 1.00 63.11 N ATOM 64 CA GLU A 5 4.520 6.139 -2.680 1.00 74.30 C ATOM 65 C GLU A 5 4.467 6.934 -1.378 1.00 20.31 C ATOM 66 O GLU A 5 4.235 8.141 -1.385 1.00 43.41 O ATOM 67 CB GLU A 5 3.226 5.355 -2.870 1.00 73.10 C ATOM 68 CG GLU A 5 2.936 4.972 -4.309 1.00 62.23 C ATOM 69 CD GLU A 5 2.267 6.097 -5.067 1.00 23.52 C ATOM 70 OE1 GLU A 5 1.063 6.340 -4.827 1.00 24.51 O ATOM 71 OE2 GLU A 5 2.932 6.743 -5.897 1.00 34.55 O ATOM 0 H GLU A 5 5.386 4.237 -2.718 1.00 63.11 H new ATOM 0 HA GLU A 5 4.641 6.839 -3.506 1.00 74.30 H new ATOM 0 HB2 GLU A 5 3.272 4.448 -2.267 1.00 73.10 H new ATOM 0 HB3 GLU A 5 2.395 5.949 -2.490 1.00 73.10 H new ATOM 0 HG2 GLU A 5 3.867 4.701 -4.807 1.00 62.23 H new ATOM 0 HG3 GLU A 5 2.296 4.090 -4.328 1.00 62.23 H new ATOM 78 N LEU A 6 4.705 6.242 -0.263 1.00 45.02 N ATOM 79 CA LEU A 6 4.720 6.872 1.058 1.00 63.53 C ATOM 80 C LEU A 6 5.776 7.975 1.129 1.00 61.55 C ATOM 81 O LEU A 6 5.506 9.077 1.604 1.00 5.55 O ATOM 82 CB LEU A 6 4.985 5.831 2.159 1.00 44.54 C ATOM 83 CG LEU A 6 3.752 5.120 2.733 1.00 31.40 C ATOM 84 CD1 LEU A 6 2.714 6.131 3.197 1.00 61.23 C ATOM 85 CD2 LEU A 6 3.154 4.160 1.720 1.00 50.15 C ATOM 0 H LEU A 6 4.891 5.239 -0.249 1.00 45.02 H new ATOM 0 HA LEU A 6 3.738 7.316 1.220 1.00 63.53 H new ATOM 0 HB2 LEU A 6 5.661 5.075 1.760 1.00 44.54 H new ATOM 0 HB3 LEU A 6 5.508 6.325 2.978 1.00 44.54 H new ATOM 0 HG LEU A 6 4.072 4.538 3.597 1.00 31.40 H new ATOM 0 HD11 LEU A 6 1.849 5.605 3.600 1.00 61.23 H new ATOM 0 HD12 LEU A 6 3.145 6.766 3.971 1.00 61.23 H new ATOM 0 HD13 LEU A 6 2.403 6.747 2.353 1.00 61.23 H new ATOM 0 HD21 LEU A 6 2.282 3.670 2.154 1.00 50.15 H new ATOM 0 HD22 LEU A 6 2.855 4.711 0.829 1.00 50.15 H new ATOM 0 HD23 LEU A 6 3.895 3.408 1.450 1.00 50.15 H new ATOM 97 N LYS A 7 6.972 7.668 0.642 1.00 3.32 N ATOM 98 CA LYS A 7 8.083 8.610 0.660 1.00 13.41 C ATOM 99 C LYS A 7 7.765 9.834 -0.195 1.00 31.34 C ATOM 100 O LYS A 7 8.131 10.958 0.154 1.00 33.14 O ATOM 101 CB LYS A 7 9.356 7.909 0.168 1.00 30.35 C ATOM 102 CG LYS A 7 10.621 8.751 0.257 1.00 21.15 C ATOM 103 CD LYS A 7 11.048 9.267 -1.108 1.00 22.13 C ATOM 104 CE LYS A 7 12.395 9.974 -1.043 1.00 55.34 C ATOM 105 NZ LYS A 7 12.845 10.448 -2.380 1.00 25.42 N ATOM 0 H LYS A 7 7.198 6.765 0.226 1.00 3.32 H new ATOM 0 HA LYS A 7 8.245 8.955 1.681 1.00 13.41 H new ATOM 0 HB2 LYS A 7 9.501 6.998 0.749 1.00 30.35 H new ATOM 0 HB3 LYS A 7 9.210 7.606 -0.869 1.00 30.35 H new ATOM 0 HG2 LYS A 7 10.452 9.593 0.928 1.00 21.15 H new ATOM 0 HG3 LYS A 7 11.425 8.156 0.689 1.00 21.15 H new ATOM 0 HD2 LYS A 7 11.106 8.435 -1.810 1.00 22.13 H new ATOM 0 HD3 LYS A 7 10.293 9.955 -1.490 1.00 22.13 H new ATOM 0 HE2 LYS A 7 12.326 10.823 -0.363 1.00 55.34 H new ATOM 0 HE3 LYS A 7 13.141 9.295 -0.630 1.00 55.34 H new ATOM 0 HZ1 LYS A 7 13.832 10.769 -2.320 1.00 25.42 H new ATOM 0 HZ2 LYS A 7 12.775 9.670 -3.066 1.00 25.42 H new ATOM 0 HZ3 LYS A 7 12.243 11.237 -2.689 1.00 25.42 H new ATOM 119 N GLY A 8 7.057 9.608 -1.297 1.00 25.41 N ATOM 120 CA GLY A 8 6.705 10.691 -2.195 1.00 55.54 C ATOM 121 C GLY A 8 5.727 11.671 -1.574 1.00 73.32 C ATOM 122 O GLY A 8 5.742 12.862 -1.894 1.00 52.41 O ATOM 0 H GLY A 8 6.720 8.689 -1.584 1.00 25.41 H new ATOM 0 HA2 GLY A 8 7.610 11.223 -2.488 1.00 55.54 H new ATOM 0 HA3 GLY A 8 6.270 10.277 -3.105 1.00 55.54 H new ATOM 126 N ILE A 9 4.877 11.171 -0.686 1.00 10.51 N ATOM 127 CA ILE A 9 3.893 12.004 -0.005 1.00 21.14 C ATOM 128 C ILE A 9 4.579 13.118 0.786 1.00 52.31 C ATOM 129 O ILE A 9 4.173 14.281 0.727 1.00 2.45 O ATOM 130 CB ILE A 9 3.009 11.158 0.941 1.00 40.35 C ATOM 131 CG1 ILE A 9 2.220 10.115 0.139 1.00 25.23 C ATOM 132 CG2 ILE A 9 2.064 12.048 1.742 1.00 42.23 C ATOM 133 CD1 ILE A 9 1.418 9.160 0.998 1.00 22.01 C ATOM 0 H ILE A 9 4.849 10.187 -0.419 1.00 10.51 H new ATOM 0 HA ILE A 9 3.257 12.453 -0.768 1.00 21.14 H new ATOM 0 HB ILE A 9 3.658 10.638 1.645 1.00 40.35 H new ATOM 0 HG12 ILE A 9 1.544 10.631 -0.543 1.00 25.23 H new ATOM 0 HG13 ILE A 9 2.914 9.541 -0.474 1.00 25.23 H new ATOM 0 HG21 ILE A 9 1.453 11.430 2.400 1.00 42.23 H new ATOM 0 HG22 ILE A 9 2.645 12.750 2.340 1.00 42.23 H new ATOM 0 HG23 ILE A 9 1.418 12.600 1.059 1.00 42.23 H new ATOM 0 HD11 ILE A 9 0.888 8.453 0.359 1.00 22.01 H new ATOM 0 HD12 ILE A 9 2.090 8.616 1.662 1.00 22.01 H new ATOM 0 HD13 ILE A 9 0.698 9.722 1.592 1.00 22.01 H new ATOM 145 N PHE A 10 5.641 12.765 1.496 1.00 50.42 N ATOM 146 CA PHE A 10 6.360 13.727 2.322 1.00 60.12 C ATOM 147 C PHE A 10 7.072 14.769 1.469 1.00 2.41 C ATOM 148 O PHE A 10 7.124 15.941 1.835 1.00 11.04 O ATOM 149 CB PHE A 10 7.357 13.011 3.235 1.00 21.50 C ATOM 150 CG PHE A 10 6.706 12.309 4.396 1.00 33.23 C ATOM 151 CD1 PHE A 10 5.950 11.164 4.200 1.00 42.42 C ATOM 152 CD2 PHE A 10 6.841 12.805 5.682 1.00 73.15 C ATOM 153 CE1 PHE A 10 5.345 10.526 5.264 1.00 1.00 C ATOM 154 CE2 PHE A 10 6.237 12.171 6.752 1.00 54.04 C ATOM 155 CZ PHE A 10 5.487 11.030 6.542 1.00 33.33 C ATOM 0 H PHE A 10 6.025 11.820 1.517 1.00 50.42 H new ATOM 0 HA PHE A 10 5.628 14.246 2.941 1.00 60.12 H new ATOM 0 HB2 PHE A 10 7.918 12.284 2.648 1.00 21.50 H new ATOM 0 HB3 PHE A 10 8.076 13.737 3.615 1.00 21.50 H new ATOM 0 HD1 PHE A 10 5.833 10.766 3.203 1.00 42.42 H new ATOM 0 HD2 PHE A 10 7.425 13.698 5.851 1.00 73.15 H new ATOM 0 HE1 PHE A 10 4.761 9.633 5.097 1.00 1.00 H new ATOM 0 HE2 PHE A 10 6.351 12.567 7.750 1.00 54.04 H new ATOM 0 HZ PHE A 10 5.013 10.533 7.375 1.00 33.33 H new ATOM 165 N GLU A 11 7.591 14.346 0.324 1.00 71.05 N ATOM 166 CA GLU A 11 8.303 15.250 -0.575 1.00 25.31 C ATOM 167 C GLU A 11 7.396 16.390 -1.032 1.00 54.41 C ATOM 168 O GLU A 11 7.822 17.542 -1.125 1.00 72.22 O ATOM 169 CB GLU A 11 8.816 14.494 -1.802 1.00 54.30 C ATOM 170 CG GLU A 11 9.645 13.265 -1.473 1.00 50.25 C ATOM 171 CD GLU A 11 10.179 12.588 -2.715 1.00 24.21 C ATOM 172 OE1 GLU A 11 9.373 12.059 -3.505 1.00 44.51 O ATOM 173 OE2 GLU A 11 11.409 12.585 -2.918 1.00 62.33 O ATOM 0 H GLU A 11 7.533 13.383 -0.006 1.00 71.05 H new ATOM 0 HA GLU A 11 9.148 15.665 -0.025 1.00 25.31 H new ATOM 0 HB2 GLU A 11 7.964 14.192 -2.411 1.00 54.30 H new ATOM 0 HB3 GLU A 11 9.417 15.172 -2.408 1.00 54.30 H new ATOM 0 HG2 GLU A 11 10.478 13.552 -0.831 1.00 50.25 H new ATOM 0 HG3 GLU A 11 9.036 12.558 -0.909 1.00 50.25 H new ATOM 180 N LYS A 12 6.140 16.058 -1.297 1.00 3.32 N ATOM 181 CA LYS A 12 5.189 17.018 -1.832 1.00 40.53 C ATOM 182 C LYS A 12 4.529 17.846 -0.731 1.00 44.21 C ATOM 183 O LYS A 12 4.507 19.075 -0.802 1.00 44.30 O ATOM 184 CB LYS A 12 4.116 16.283 -2.643 1.00 51.43 C ATOM 185 CG LYS A 12 2.975 17.172 -3.111 1.00 53.44 C ATOM 186 CD LYS A 12 1.889 16.362 -3.800 1.00 41.13 C ATOM 187 CE LYS A 12 0.633 17.188 -4.023 1.00 34.02 C ATOM 188 NZ LYS A 12 -0.460 16.380 -4.623 1.00 33.31 N ATOM 0 H LYS A 12 5.756 15.125 -1.148 1.00 3.32 H new ATOM 0 HA LYS A 12 5.738 17.705 -2.475 1.00 40.53 H new ATOM 0 HB2 LYS A 12 4.585 15.823 -3.513 1.00 51.43 H new ATOM 0 HB3 LYS A 12 3.707 15.475 -2.037 1.00 51.43 H new ATOM 0 HG2 LYS A 12 2.551 17.701 -2.258 1.00 53.44 H new ATOM 0 HG3 LYS A 12 3.358 17.928 -3.797 1.00 53.44 H new ATOM 0 HD2 LYS A 12 2.259 15.996 -4.758 1.00 41.13 H new ATOM 0 HD3 LYS A 12 1.648 15.487 -3.196 1.00 41.13 H new ATOM 0 HE2 LYS A 12 0.298 17.604 -3.073 1.00 34.02 H new ATOM 0 HE3 LYS A 12 0.863 18.030 -4.676 1.00 34.02 H new ATOM 0 HZ1 LYS A 12 -1.120 17.008 -5.125 1.00 33.31 H new ATOM 0 HZ2 LYS A 12 -0.057 15.694 -5.293 1.00 33.31 H new ATOM 0 HZ3 LYS A 12 -0.969 15.872 -3.872 1.00 33.31 H new ATOM 202 N TYR A 13 4.009 17.181 0.295 1.00 12.11 N ATOM 203 CA TYR A 13 3.164 17.855 1.278 1.00 13.40 C ATOM 204 C TYR A 13 3.968 18.526 2.389 1.00 12.10 C ATOM 205 O TYR A 13 3.689 19.667 2.750 1.00 42.32 O ATOM 206 CB TYR A 13 2.141 16.878 1.862 1.00 64.34 C ATOM 207 CG TYR A 13 1.122 16.411 0.846 1.00 74.11 C ATOM 208 CD1 TYR A 13 0.077 17.237 0.459 1.00 2.45 C ATOM 209 CD2 TYR A 13 1.218 15.155 0.259 1.00 74.33 C ATOM 210 CE1 TYR A 13 -0.850 16.824 -0.475 1.00 65.22 C ATOM 211 CE2 TYR A 13 0.295 14.735 -0.680 1.00 3.42 C ATOM 212 CZ TYR A 13 -0.736 15.577 -1.045 1.00 71.45 C ATOM 213 OH TYR A 13 -1.654 15.170 -1.985 1.00 34.33 O ATOM 0 H TYR A 13 4.155 16.186 0.468 1.00 12.11 H new ATOM 0 HA TYR A 13 2.638 18.651 0.752 1.00 13.40 H new ATOM 0 HB2 TYR A 13 2.664 16.012 2.268 1.00 64.34 H new ATOM 0 HB3 TYR A 13 1.624 17.356 2.694 1.00 64.34 H new ATOM 0 HD1 TYR A 13 -0.012 18.220 0.897 1.00 2.45 H new ATOM 0 HD2 TYR A 13 2.027 14.497 0.541 1.00 74.33 H new ATOM 0 HE1 TYR A 13 -1.662 17.477 -0.758 1.00 65.22 H new ATOM 0 HE2 TYR A 13 0.380 13.755 -1.125 1.00 3.42 H new ATOM 0 HH TYR A 13 -1.431 14.266 -2.290 1.00 34.33 H new ATOM 223 N ALA A 14 4.985 17.846 2.904 1.00 43.04 N ATOM 224 CA ALA A 14 5.752 18.367 4.036 1.00 11.12 C ATOM 225 C ALA A 14 6.514 19.638 3.664 1.00 54.45 C ATOM 226 O ALA A 14 6.970 20.385 4.532 1.00 52.34 O ATOM 227 CB ALA A 14 6.710 17.307 4.555 1.00 71.34 C ATOM 0 H ALA A 14 5.299 16.938 2.561 1.00 43.04 H new ATOM 0 HA ALA A 14 5.046 18.626 4.825 1.00 11.12 H new ATOM 0 HB1 ALA A 14 7.274 17.708 5.397 1.00 71.34 H new ATOM 0 HB2 ALA A 14 6.145 16.433 4.880 1.00 71.34 H new ATOM 0 HB3 ALA A 14 7.399 17.019 3.761 1.00 71.34 H new ATOM 233 N ALA A 15 6.636 19.883 2.369 1.00 31.14 N ATOM 234 CA ALA A 15 7.338 21.054 1.875 1.00 52.15 C ATOM 235 C ALA A 15 6.488 22.315 2.025 1.00 35.43 C ATOM 236 O ALA A 15 7.022 23.424 2.074 1.00 42.42 O ATOM 237 CB ALA A 15 7.733 20.847 0.423 1.00 74.22 C ATOM 0 H ALA A 15 6.255 19.282 1.638 1.00 31.14 H new ATOM 0 HA ALA A 15 8.239 21.190 2.473 1.00 52.15 H new ATOM 0 HB1 ALA A 15 8.259 21.730 0.060 1.00 74.22 H new ATOM 0 HB2 ALA A 15 8.385 19.977 0.344 1.00 74.22 H new ATOM 0 HB3 ALA A 15 6.838 20.685 -0.178 1.00 74.22 H new ATOM 243 N LYS A 16 5.171 22.146 2.116 1.00 51.34 N ATOM 244 CA LYS A 16 4.267 23.292 2.212 1.00 65.15 C ATOM 245 C LYS A 16 4.242 23.860 3.624 1.00 33.52 C ATOM 246 O LYS A 16 4.715 24.973 3.866 1.00 74.35 O ATOM 247 CB LYS A 16 2.837 22.917 1.812 1.00 24.23 C ATOM 248 CG LYS A 16 2.629 22.697 0.322 1.00 24.53 C ATOM 249 CD LYS A 16 2.300 21.247 0.004 1.00 4.54 C ATOM 250 CE LYS A 16 1.177 20.710 0.886 1.00 43.43 C ATOM 251 NZ LYS A 16 -0.103 21.448 0.712 1.00 74.13 N ATOM 0 H LYS A 16 4.708 21.237 2.125 1.00 51.34 H new ATOM 0 HA LYS A 16 4.649 24.045 1.522 1.00 65.15 H new ATOM 0 HB2 LYS A 16 2.553 22.008 2.342 1.00 24.23 H new ATOM 0 HB3 LYS A 16 2.163 23.705 2.146 1.00 24.23 H new ATOM 0 HG2 LYS A 16 1.821 23.338 -0.030 1.00 24.53 H new ATOM 0 HG3 LYS A 16 3.529 22.992 -0.218 1.00 24.53 H new ATOM 0 HD2 LYS A 16 2.011 21.162 -1.043 1.00 4.54 H new ATOM 0 HD3 LYS A 16 3.192 20.635 0.139 1.00 4.54 H new ATOM 0 HE2 LYS A 16 1.016 19.656 0.658 1.00 43.43 H new ATOM 0 HE3 LYS A 16 1.484 20.767 1.930 1.00 43.43 H new ATOM 0 HZ1 LYS A 16 -0.827 21.039 1.336 1.00 74.13 H new ATOM 0 HZ2 LYS A 16 0.038 22.449 0.955 1.00 74.13 H new ATOM 0 HZ3 LYS A 16 -0.415 21.373 -0.277 1.00 74.13 H new ATOM 265 N GLU A 17 3.702 23.087 4.556 1.00 33.30 N ATOM 266 CA GLU A 17 3.491 23.565 5.913 1.00 51.12 C ATOM 267 C GLU A 17 4.255 22.714 6.919 1.00 53.11 C ATOM 268 O GLU A 17 4.169 21.485 6.903 1.00 33.20 O ATOM 269 CB GLU A 17 1.994 23.563 6.235 1.00 44.44 C ATOM 270 CG GLU A 17 1.184 24.437 5.289 1.00 73.04 C ATOM 271 CD GLU A 17 -0.308 24.371 5.537 1.00 44.13 C ATOM 272 OE1 GLU A 17 -0.783 25.024 6.491 1.00 11.50 O ATOM 273 OE2 GLU A 17 -1.017 23.690 4.766 1.00 54.20 O ATOM 0 H GLU A 17 3.402 22.125 4.396 1.00 33.30 H new ATOM 0 HA GLU A 17 3.871 24.584 5.985 1.00 51.12 H new ATOM 0 HB2 GLU A 17 1.619 22.541 6.188 1.00 44.44 H new ATOM 0 HB3 GLU A 17 1.847 23.910 7.258 1.00 44.44 H new ATOM 0 HG2 GLU A 17 1.516 25.471 5.388 1.00 73.04 H new ATOM 0 HG3 GLU A 17 1.388 24.134 4.262 1.00 73.04 H new ATOM 280 N GLY A 18 5.014 23.375 7.780 1.00 30.51 N ATOM 281 CA GLY A 18 5.774 22.675 8.792 1.00 23.41 C ATOM 282 C GLY A 18 7.231 22.531 8.412 1.00 4.43 C ATOM 283 O GLY A 18 7.939 23.525 8.247 1.00 34.01 O ATOM 0 H GLY A 18 5.117 24.390 7.795 1.00 30.51 H new ATOM 0 HA2 GLY A 18 5.698 23.212 9.738 1.00 23.41 H new ATOM 0 HA3 GLY A 18 5.342 21.687 8.950 1.00 23.41 H new ATOM 287 N ASP A 19 7.675 21.296 8.259 1.00 41.15 N ATOM 288 CA ASP A 19 9.058 21.016 7.908 1.00 22.34 C ATOM 289 C ASP A 19 9.098 19.849 6.934 1.00 42.44 C ATOM 290 O ASP A 19 8.384 18.873 7.124 1.00 43.03 O ATOM 291 CB ASP A 19 9.868 20.690 9.168 1.00 71.55 C ATOM 292 CG ASP A 19 11.349 20.535 8.888 1.00 11.33 C ATOM 293 OD1 ASP A 19 12.069 21.556 8.905 1.00 41.24 O ATOM 294 OD2 ASP A 19 11.802 19.396 8.655 1.00 35.44 O ATOM 0 H ASP A 19 7.094 20.465 8.373 1.00 41.15 H new ATOM 0 HA ASP A 19 9.500 21.894 7.437 1.00 22.34 H new ATOM 0 HB2 ASP A 19 9.722 21.481 9.903 1.00 71.55 H new ATOM 0 HB3 ASP A 19 9.488 19.769 9.611 1.00 71.55 H new ATOM 299 N PRO A 20 9.920 19.929 5.875 1.00 44.25 N ATOM 300 CA PRO A 20 9.983 18.897 4.821 1.00 1.54 C ATOM 301 C PRO A 20 10.512 17.539 5.301 1.00 5.42 C ATOM 302 O PRO A 20 10.899 16.696 4.491 1.00 11.40 O ATOM 303 CB PRO A 20 10.933 19.499 3.776 1.00 32.35 C ATOM 304 CG PRO A 20 11.014 20.949 4.109 1.00 32.43 C ATOM 305 CD PRO A 20 10.833 21.044 5.591 1.00 23.11 C ATOM 0 HA PRO A 20 8.984 18.674 4.446 1.00 1.54 H new ATOM 0 HB2 PRO A 20 11.916 19.029 3.821 1.00 32.35 H new ATOM 0 HB3 PRO A 20 10.553 19.348 2.766 1.00 32.35 H new ATOM 0 HG2 PRO A 20 11.975 21.366 3.806 1.00 32.43 H new ATOM 0 HG3 PRO A 20 10.242 21.513 3.585 1.00 32.43 H new ATOM 0 HD2 PRO A 20 11.779 20.939 6.122 1.00 23.11 H new ATOM 0 HD3 PRO A 20 10.406 22.003 5.887 1.00 23.11 H new ATOM 313 N ASN A 21 10.530 17.329 6.610 1.00 44.04 N ATOM 314 CA ASN A 21 10.861 16.026 7.174 1.00 53.20 C ATOM 315 C ASN A 21 9.655 15.442 7.898 1.00 64.31 C ATOM 316 O ASN A 21 9.710 14.324 8.416 1.00 53.13 O ATOM 317 CB ASN A 21 12.035 16.123 8.157 1.00 11.10 C ATOM 318 CG ASN A 21 13.338 16.511 7.489 1.00 71.45 C ATOM 319 OD1 ASN A 21 14.083 15.655 7.017 1.00 53.34 O ATOM 320 ND2 ASN A 21 13.626 17.800 7.461 1.00 4.51 N ATOM 0 H ASN A 21 10.319 18.046 7.304 1.00 44.04 H new ATOM 0 HA ASN A 21 11.149 15.376 6.348 1.00 53.20 H new ATOM 0 HB2 ASN A 21 11.796 16.856 8.928 1.00 11.10 H new ATOM 0 HB3 ASN A 21 12.162 15.163 8.658 1.00 11.10 H new ATOM 0 HD21 ASN A 21 14.496 18.119 7.035 1.00 4.51 H new ATOM 0 HD22 ASN A 21 12.978 18.476 7.865 1.00 4.51 H new ATOM 327 N GLN A 22 8.564 16.199 7.930 1.00 14.42 N ATOM 328 CA GLN A 22 7.393 15.805 8.699 1.00 2.25 C ATOM 329 C GLN A 22 6.119 16.450 8.153 1.00 43.13 C ATOM 330 O GLN A 22 6.128 17.590 7.696 1.00 13.45 O ATOM 331 CB GLN A 22 7.599 16.193 10.167 1.00 43.23 C ATOM 332 CG GLN A 22 7.783 17.689 10.388 1.00 14.52 C ATOM 333 CD GLN A 22 8.743 18.005 11.520 1.00 74.34 C ATOM 334 OE1 GLN A 22 9.693 17.264 11.771 1.00 13.23 O ATOM 335 NE2 GLN A 22 8.510 19.114 12.204 1.00 44.20 N ATOM 0 H GLN A 22 8.467 17.085 7.434 1.00 14.42 H new ATOM 0 HA GLN A 22 7.272 14.725 8.616 1.00 2.25 H new ATOM 0 HB2 GLN A 22 6.741 15.852 10.747 1.00 43.23 H new ATOM 0 HB3 GLN A 22 8.473 15.668 10.553 1.00 43.23 H new ATOM 0 HG2 GLN A 22 8.151 18.144 9.469 1.00 14.52 H new ATOM 0 HG3 GLN A 22 6.815 18.141 10.603 1.00 14.52 H new ATOM 0 HE21 GLN A 22 7.712 19.702 11.965 1.00 44.20 H new ATOM 0 HE22 GLN A 22 9.129 19.380 12.970 1.00 44.20 H new ATOM 344 N LEU A 23 5.022 15.714 8.213 1.00 3.43 N ATOM 345 CA LEU A 23 3.735 16.224 7.771 1.00 33.21 C ATOM 346 C LEU A 23 3.060 16.948 8.922 1.00 1.31 C ATOM 347 O LEU A 23 2.693 16.330 9.922 1.00 22.11 O ATOM 348 CB LEU A 23 2.837 15.085 7.269 1.00 53.11 C ATOM 349 CG LEU A 23 3.366 14.312 6.060 1.00 63.20 C ATOM 350 CD1 LEU A 23 2.409 13.189 5.692 1.00 62.11 C ATOM 351 CD2 LEU A 23 3.573 15.243 4.873 1.00 31.13 C ATOM 0 H LEU A 23 4.997 14.757 8.565 1.00 3.43 H new ATOM 0 HA LEU A 23 3.897 16.916 6.945 1.00 33.21 H new ATOM 0 HB2 LEU A 23 2.680 14.382 8.087 1.00 53.11 H new ATOM 0 HB3 LEU A 23 1.862 15.500 7.014 1.00 53.11 H new ATOM 0 HG LEU A 23 4.330 13.878 6.325 1.00 63.20 H new ATOM 0 HD11 LEU A 23 2.798 12.647 4.830 1.00 62.11 H new ATOM 0 HD12 LEU A 23 2.309 12.505 6.535 1.00 62.11 H new ATOM 0 HD13 LEU A 23 1.433 13.608 5.447 1.00 62.11 H new ATOM 0 HD21 LEU A 23 3.950 14.672 4.024 1.00 31.13 H new ATOM 0 HD22 LEU A 23 2.624 15.708 4.605 1.00 31.13 H new ATOM 0 HD23 LEU A 23 4.294 16.016 5.139 1.00 31.13 H new ATOM 363 N SER A 24 2.915 18.258 8.781 1.00 52.33 N ATOM 364 CA SER A 24 2.359 19.094 9.834 1.00 50.00 C ATOM 365 C SER A 24 1.012 18.563 10.321 1.00 24.40 C ATOM 366 O SER A 24 0.275 17.918 9.574 1.00 45.24 O ATOM 367 CB SER A 24 2.206 20.535 9.338 1.00 21.51 C ATOM 368 OG SER A 24 1.726 21.382 10.368 1.00 35.22 O ATOM 0 H SER A 24 3.178 18.768 7.938 1.00 52.33 H new ATOM 0 HA SER A 24 3.051 19.072 10.676 1.00 50.00 H new ATOM 0 HB2 SER A 24 3.167 20.903 8.979 1.00 21.51 H new ATOM 0 HB3 SER A 24 1.519 20.561 8.492 1.00 21.51 H new ATOM 0 HG SER A 24 2.040 21.052 11.236 1.00 35.22 H new ATOM 374 N LYS A 25 0.704 18.843 11.581 1.00 3.15 N ATOM 375 CA LYS A 25 -0.552 18.421 12.188 1.00 55.12 C ATOM 376 C LYS A 25 -1.743 18.916 11.366 1.00 63.20 C ATOM 377 O LYS A 25 -2.729 18.202 11.187 1.00 24.12 O ATOM 378 CB LYS A 25 -0.631 18.950 13.624 1.00 51.55 C ATOM 379 CG LYS A 25 -1.882 18.529 14.378 1.00 62.31 C ATOM 380 CD LYS A 25 -1.820 18.972 15.832 1.00 52.31 C ATOM 381 CE LYS A 25 -1.685 20.483 15.954 1.00 1.42 C ATOM 382 NZ LYS A 25 -1.473 20.913 17.362 1.00 53.21 N ATOM 0 H LYS A 25 1.314 19.366 12.208 1.00 3.15 H new ATOM 0 HA LYS A 25 -0.588 17.332 12.207 1.00 55.12 H new ATOM 0 HB2 LYS A 25 0.244 18.605 14.174 1.00 51.55 H new ATOM 0 HB3 LYS A 25 -0.584 20.039 13.601 1.00 51.55 H new ATOM 0 HG2 LYS A 25 -2.761 18.961 13.900 1.00 62.31 H new ATOM 0 HG3 LYS A 25 -1.993 17.446 14.329 1.00 62.31 H new ATOM 0 HD2 LYS A 25 -2.720 18.644 16.351 1.00 52.31 H new ATOM 0 HD3 LYS A 25 -0.975 18.490 16.324 1.00 52.31 H new ATOM 0 HE2 LYS A 25 -0.850 20.823 15.342 1.00 1.42 H new ATOM 0 HE3 LYS A 25 -2.583 20.960 15.561 1.00 1.42 H new ATOM 0 HZ1 LYS A 25 -1.386 21.949 17.399 1.00 53.21 H new ATOM 0 HZ2 LYS A 25 -2.282 20.612 17.942 1.00 53.21 H new ATOM 0 HZ3 LYS A 25 -0.602 20.479 17.730 1.00 53.21 H new ATOM 396 N GLU A 26 -1.633 20.132 10.845 1.00 25.43 N ATOM 397 CA GLU A 26 -2.695 20.717 10.037 1.00 24.04 C ATOM 398 C GLU A 26 -2.579 20.303 8.570 1.00 13.40 C ATOM 399 O GLU A 26 -3.447 20.612 7.760 1.00 24.44 O ATOM 400 CB GLU A 26 -2.704 22.238 10.183 1.00 51.35 C ATOM 401 CG GLU A 26 -3.158 22.688 11.562 1.00 51.50 C ATOM 402 CD GLU A 26 -3.260 24.191 11.696 1.00 44.40 C ATOM 403 OE1 GLU A 26 -4.012 24.814 10.919 1.00 4.52 O ATOM 404 OE2 GLU A 26 -2.594 24.755 12.588 1.00 42.20 O ATOM 0 H GLU A 26 -0.818 20.733 10.968 1.00 25.43 H new ATOM 0 HA GLU A 26 -3.646 20.332 10.405 1.00 24.04 H new ATOM 0 HB2 GLU A 26 -1.703 22.624 9.990 1.00 51.35 H new ATOM 0 HB3 GLU A 26 -3.363 22.668 9.429 1.00 51.35 H new ATOM 0 HG2 GLU A 26 -4.129 22.244 11.780 1.00 51.50 H new ATOM 0 HG3 GLU A 26 -2.459 22.310 12.308 1.00 51.50 H new ATOM 411 N GLU A 27 -1.506 19.599 8.241 1.00 24.13 N ATOM 412 CA GLU A 27 -1.316 19.049 6.900 1.00 21.04 C ATOM 413 C GLU A 27 -1.884 17.628 6.850 1.00 20.43 C ATOM 414 O GLU A 27 -2.144 17.074 5.781 1.00 1.52 O ATOM 415 CB GLU A 27 0.179 19.032 6.556 1.00 51.33 C ATOM 416 CG GLU A 27 0.495 18.594 5.135 1.00 44.32 C ATOM 417 CD GLU A 27 0.022 19.590 4.099 1.00 32.12 C ATOM 418 OE1 GLU A 27 0.756 20.558 3.827 1.00 62.21 O ATOM 419 OE2 GLU A 27 -1.084 19.408 3.551 1.00 11.43 O ATOM 0 H GLU A 27 -0.745 19.392 8.888 1.00 24.13 H new ATOM 0 HA GLU A 27 -1.838 19.670 6.172 1.00 21.04 H new ATOM 0 HB2 GLU A 27 0.586 20.031 6.714 1.00 51.33 H new ATOM 0 HB3 GLU A 27 0.691 18.366 7.250 1.00 51.33 H new ATOM 0 HG2 GLU A 27 1.571 18.453 5.033 1.00 44.32 H new ATOM 0 HG3 GLU A 27 0.028 17.628 4.944 1.00 44.32 H new ATOM 426 N LEU A 28 -2.087 17.056 8.034 1.00 63.14 N ATOM 427 CA LEU A 28 -2.522 15.674 8.176 1.00 74.54 C ATOM 428 C LEU A 28 -3.894 15.453 7.532 1.00 1.20 C ATOM 429 O LEU A 28 -4.130 14.411 6.926 1.00 51.04 O ATOM 430 CB LEU A 28 -2.539 15.299 9.670 1.00 50.25 C ATOM 431 CG LEU A 28 -2.602 13.799 10.005 1.00 11.35 C ATOM 432 CD1 LEU A 28 -2.150 13.564 11.437 1.00 31.45 C ATOM 433 CD2 LEU A 28 -4.008 13.244 9.813 1.00 44.52 C ATOM 0 H LEU A 28 -1.954 17.540 8.922 1.00 63.14 H new ATOM 0 HA LEU A 28 -1.819 15.025 7.654 1.00 74.54 H new ATOM 0 HB2 LEU A 28 -1.645 15.714 10.135 1.00 50.25 H new ATOM 0 HB3 LEU A 28 -3.396 15.788 10.134 1.00 50.25 H new ATOM 0 HG LEU A 28 -1.933 13.277 9.320 1.00 11.35 H new ATOM 0 HD11 LEU A 28 -2.198 12.499 11.664 1.00 31.45 H new ATOM 0 HD12 LEU A 28 -1.125 13.914 11.557 1.00 31.45 H new ATOM 0 HD13 LEU A 28 -2.802 14.110 12.119 1.00 31.45 H new ATOM 0 HD21 LEU A 28 -4.017 12.182 10.058 1.00 44.52 H new ATOM 0 HD22 LEU A 28 -4.701 13.773 10.467 1.00 44.52 H new ATOM 0 HD23 LEU A 28 -4.314 13.379 8.776 1.00 44.52 H new ATOM 445 N LYS A 29 -4.781 16.443 7.637 1.00 62.13 N ATOM 446 CA LYS A 29 -6.147 16.298 7.128 1.00 21.30 C ATOM 447 C LYS A 29 -6.148 16.065 5.622 1.00 35.12 C ATOM 448 O LYS A 29 -6.886 15.219 5.120 1.00 73.10 O ATOM 449 CB LYS A 29 -7.012 17.527 7.448 1.00 21.32 C ATOM 450 CG LYS A 29 -7.109 17.864 8.926 1.00 71.20 C ATOM 451 CD LYS A 29 -6.017 18.829 9.361 1.00 21.22 C ATOM 452 CE LYS A 29 -6.367 20.284 9.049 1.00 32.25 C ATOM 453 NZ LYS A 29 -6.493 20.549 7.589 1.00 74.33 N ATOM 0 H LYS A 29 -4.582 17.347 8.066 1.00 62.13 H new ATOM 0 HA LYS A 29 -6.576 15.431 7.631 1.00 21.30 H new ATOM 0 HB2 LYS A 29 -6.606 18.389 6.918 1.00 21.32 H new ATOM 0 HB3 LYS A 29 -8.017 17.359 7.060 1.00 21.32 H new ATOM 0 HG2 LYS A 29 -8.085 18.302 9.135 1.00 71.20 H new ATOM 0 HG3 LYS A 29 -7.039 16.948 9.513 1.00 71.20 H new ATOM 0 HD2 LYS A 29 -5.846 18.721 10.432 1.00 21.22 H new ATOM 0 HD3 LYS A 29 -5.084 18.567 8.861 1.00 21.22 H new ATOM 0 HE2 LYS A 29 -7.305 20.541 9.542 1.00 32.25 H new ATOM 0 HE3 LYS A 29 -5.599 20.935 9.466 1.00 32.25 H new ATOM 0 HZ1 LYS A 29 -6.460 21.574 7.418 1.00 74.33 H new ATOM 0 HZ2 LYS A 29 -5.709 20.088 7.084 1.00 74.33 H new ATOM 0 HZ3 LYS A 29 -7.398 20.170 7.244 1.00 74.33 H new ATOM 467 N LEU A 30 -5.317 16.816 4.910 1.00 5.20 N ATOM 468 CA LEU A 30 -5.218 16.691 3.464 1.00 71.42 C ATOM 469 C LEU A 30 -4.773 15.284 3.082 1.00 53.52 C ATOM 470 O LEU A 30 -5.373 14.651 2.218 1.00 61.24 O ATOM 471 CB LEU A 30 -4.248 17.736 2.898 1.00 74.15 C ATOM 472 CG LEU A 30 -4.177 17.804 1.371 1.00 22.40 C ATOM 473 CD1 LEU A 30 -5.556 18.054 0.782 1.00 43.13 C ATOM 474 CD2 LEU A 30 -3.216 18.900 0.939 1.00 60.20 C ATOM 0 H LEU A 30 -4.700 17.521 5.314 1.00 5.20 H new ATOM 0 HA LEU A 30 -6.203 16.870 3.033 1.00 71.42 H new ATOM 0 HB2 LEU A 30 -4.536 18.717 3.276 1.00 74.15 H new ATOM 0 HB3 LEU A 30 -3.250 17.527 3.283 1.00 74.15 H new ATOM 0 HG LEU A 30 -3.811 16.847 1.000 1.00 22.40 H new ATOM 0 HD11 LEU A 30 -5.485 18.099 -0.305 1.00 43.13 H new ATOM 0 HD12 LEU A 30 -6.226 17.244 1.068 1.00 43.13 H new ATOM 0 HD13 LEU A 30 -5.947 18.999 1.159 1.00 43.13 H new ATOM 0 HD21 LEU A 30 -3.174 18.939 -0.149 1.00 60.20 H new ATOM 0 HD22 LEU A 30 -3.562 19.860 1.323 1.00 60.20 H new ATOM 0 HD23 LEU A 30 -2.222 18.689 1.333 1.00 60.20 H new ATOM 486 N LEU A 31 -3.739 14.790 3.751 1.00 33.41 N ATOM 487 CA LEU A 31 -3.258 13.434 3.519 1.00 52.52 C ATOM 488 C LEU A 31 -4.338 12.422 3.898 1.00 51.33 C ATOM 489 O LEU A 31 -4.660 11.521 3.120 1.00 5.31 O ATOM 490 CB LEU A 31 -1.963 13.191 4.321 1.00 1.12 C ATOM 491 CG LEU A 31 -1.306 11.802 4.179 1.00 23.21 C ATOM 492 CD1 LEU A 31 -1.914 10.800 5.151 1.00 51.22 C ATOM 493 CD2 LEU A 31 -1.433 11.288 2.751 1.00 42.12 C ATOM 0 H LEU A 31 -3.217 15.308 4.458 1.00 33.41 H new ATOM 0 HA LEU A 31 -3.033 13.308 2.460 1.00 52.52 H new ATOM 0 HB2 LEU A 31 -1.233 13.944 4.024 1.00 1.12 H new ATOM 0 HB3 LEU A 31 -2.181 13.357 5.376 1.00 1.12 H new ATOM 0 HG LEU A 31 -0.249 11.913 4.420 1.00 23.21 H new ATOM 0 HD11 LEU A 31 -1.430 9.832 5.026 1.00 51.22 H new ATOM 0 HD12 LEU A 31 -1.767 11.150 6.173 1.00 51.22 H new ATOM 0 HD13 LEU A 31 -2.981 10.701 4.951 1.00 51.22 H new ATOM 0 HD21 LEU A 31 -0.963 10.308 2.674 1.00 42.12 H new ATOM 0 HD22 LEU A 31 -2.487 11.207 2.486 1.00 42.12 H new ATOM 0 HD23 LEU A 31 -0.940 11.981 2.070 1.00 42.12 H new ATOM 505 N LEU A 32 -4.907 12.601 5.083 1.00 53.14 N ATOM 506 CA LEU A 32 -5.897 11.676 5.619 1.00 42.43 C ATOM 507 C LEU A 32 -7.085 11.545 4.668 1.00 41.40 C ATOM 508 O LEU A 32 -7.446 10.441 4.265 1.00 63.52 O ATOM 509 CB LEU A 32 -6.356 12.159 7.008 1.00 54.54 C ATOM 510 CG LEU A 32 -7.067 11.123 7.897 1.00 71.34 C ATOM 511 CD1 LEU A 32 -8.481 10.845 7.412 1.00 10.12 C ATOM 512 CD2 LEU A 32 -6.265 9.831 7.960 1.00 50.20 C ATOM 0 H LEU A 32 -4.697 13.388 5.697 1.00 53.14 H new ATOM 0 HA LEU A 32 -5.444 10.690 5.721 1.00 42.43 H new ATOM 0 HB2 LEU A 32 -5.483 12.528 7.546 1.00 54.54 H new ATOM 0 HB3 LEU A 32 -7.027 13.007 6.869 1.00 54.54 H new ATOM 0 HG LEU A 32 -7.136 11.544 8.900 1.00 71.34 H new ATOM 0 HD11 LEU A 32 -8.951 10.109 8.064 1.00 10.12 H new ATOM 0 HD12 LEU A 32 -9.060 11.768 7.430 1.00 10.12 H new ATOM 0 HD13 LEU A 32 -8.447 10.458 6.394 1.00 10.12 H new ATOM 0 HD21 LEU A 32 -6.784 9.111 8.593 1.00 50.20 H new ATOM 0 HD22 LEU A 32 -6.158 9.420 6.956 1.00 50.20 H new ATOM 0 HD23 LEU A 32 -5.278 10.035 8.376 1.00 50.20 H new ATOM 524 N GLN A 33 -7.661 12.675 4.278 1.00 34.51 N ATOM 525 CA GLN A 33 -8.868 12.679 3.459 1.00 71.41 C ATOM 526 C GLN A 33 -8.570 12.350 1.995 1.00 10.03 C ATOM 527 O GLN A 33 -9.481 12.286 1.173 1.00 35.42 O ATOM 528 CB GLN A 33 -9.568 14.033 3.555 1.00 54.23 C ATOM 529 CG GLN A 33 -10.024 14.387 4.961 1.00 63.23 C ATOM 530 CD GLN A 33 -10.681 15.752 5.035 1.00 75.55 C ATOM 531 OE1 GLN A 33 -10.256 16.662 4.169 1.00 51.32 O flip ATOM 532 NE2 GLN A 33 -11.557 15.990 5.866 1.00 14.32 N flip ATOM 0 H GLN A 33 -7.311 13.603 4.516 1.00 34.51 H new ATOM 0 HA GLN A 33 -9.525 11.900 3.846 1.00 71.41 H new ATOM 0 HB2 GLN A 33 -8.891 14.808 3.196 1.00 54.23 H new ATOM 0 HB3 GLN A 33 -10.433 14.033 2.891 1.00 54.23 H new ATOM 0 HG2 GLN A 33 -10.726 13.631 5.313 1.00 63.23 H new ATOM 0 HG3 GLN A 33 -9.167 14.364 5.634 1.00 63.23 H new ATOM 0 HE21 GLN A 33 -11.856 15.262 6.515 1.00 14.32 H new ATOM 0 HE22 GLN A 33 -11.984 16.915 5.906 1.00 14.32 H new ATOM 541 N THR A 34 -7.301 12.160 1.665 1.00 1.00 N ATOM 542 CA THR A 34 -6.929 11.756 0.317 1.00 44.41 C ATOM 543 C THR A 34 -6.687 10.249 0.245 1.00 71.05 C ATOM 544 O THR A 34 -7.202 9.569 -0.645 1.00 51.51 O ATOM 545 CB THR A 34 -5.677 12.512 -0.174 1.00 62.12 C ATOM 546 OG1 THR A 34 -5.938 13.920 -0.183 1.00 51.45 O ATOM 547 CG2 THR A 34 -5.276 12.064 -1.572 1.00 4.20 C ATOM 0 H THR A 34 -6.517 12.278 2.307 1.00 1.00 H new ATOM 0 HA THR A 34 -7.763 12.011 -0.337 1.00 44.41 H new ATOM 0 HB THR A 34 -4.856 12.289 0.508 1.00 62.12 H new ATOM 0 HG1 THR A 34 -5.859 14.273 0.728 1.00 51.45 H new ATOM 0 HG21 THR A 34 -4.391 12.614 -1.891 1.00 4.20 H new ATOM 0 HG22 THR A 34 -5.056 10.997 -1.563 1.00 4.20 H new ATOM 0 HG23 THR A 34 -6.094 12.260 -2.265 1.00 4.20 H new ATOM 555 N GLU A 35 -5.919 9.726 1.191 1.00 52.33 N ATOM 556 CA GLU A 35 -5.562 8.315 1.177 1.00 4.13 C ATOM 557 C GLU A 35 -6.646 7.456 1.814 1.00 60.12 C ATOM 558 O GLU A 35 -7.124 6.498 1.206 1.00 14.11 O ATOM 559 CB GLU A 35 -4.228 8.095 1.889 1.00 71.43 C ATOM 560 CG GLU A 35 -3.047 8.696 1.148 1.00 53.14 C ATOM 561 CD GLU A 35 -2.845 8.071 -0.215 1.00 74.32 C ATOM 562 OE1 GLU A 35 -2.218 6.996 -0.287 1.00 32.14 O ATOM 563 OE2 GLU A 35 -3.313 8.644 -1.220 1.00 74.43 O ATOM 0 H GLU A 35 -5.533 10.254 1.974 1.00 52.33 H new ATOM 0 HA GLU A 35 -5.464 8.010 0.135 1.00 4.13 H new ATOM 0 HB2 GLU A 35 -4.281 8.529 2.888 1.00 71.43 H new ATOM 0 HB3 GLU A 35 -4.063 7.025 2.015 1.00 71.43 H new ATOM 0 HG2 GLU A 35 -3.201 9.769 1.034 1.00 53.14 H new ATOM 0 HG3 GLU A 35 -2.143 8.565 1.743 1.00 53.14 H new ATOM 570 N PHE A 36 -7.048 7.799 3.029 1.00 72.30 N ATOM 571 CA PHE A 36 -8.050 7.006 3.735 1.00 70.30 C ATOM 572 C PHE A 36 -9.143 7.895 4.321 1.00 11.41 C ATOM 573 O PHE A 36 -9.169 8.146 5.525 1.00 51.13 O ATOM 574 CB PHE A 36 -7.401 6.175 4.849 1.00 40.25 C ATOM 575 CG PHE A 36 -6.389 5.177 4.357 1.00 71.43 C ATOM 576 CD1 PHE A 36 -6.797 3.978 3.799 1.00 52.42 C ATOM 577 CD2 PHE A 36 -5.031 5.443 4.450 1.00 53.44 C ATOM 578 CE1 PHE A 36 -5.871 3.060 3.343 1.00 3.21 C ATOM 579 CE2 PHE A 36 -4.100 4.529 3.994 1.00 32.14 C ATOM 580 CZ PHE A 36 -4.520 3.335 3.440 1.00 24.42 C ATOM 0 H PHE A 36 -6.703 8.610 3.543 1.00 72.30 H new ATOM 0 HA PHE A 36 -8.505 6.331 3.010 1.00 70.30 H new ATOM 0 HB2 PHE A 36 -6.917 6.849 5.556 1.00 40.25 H new ATOM 0 HB3 PHE A 36 -8.182 5.646 5.396 1.00 40.25 H new ATOM 0 HD1 PHE A 36 -7.851 3.758 3.719 1.00 52.42 H new ATOM 0 HD2 PHE A 36 -4.697 6.374 4.883 1.00 53.44 H new ATOM 0 HE1 PHE A 36 -6.203 2.128 2.911 1.00 3.21 H new ATOM 0 HE2 PHE A 36 -3.045 4.748 4.071 1.00 32.14 H new ATOM 0 HZ PHE A 36 -3.795 2.619 3.084 1.00 24.42 H new ATOM 590 N PRO A 37 -10.054 8.397 3.474 1.00 23.34 N ATOM 591 CA PRO A 37 -11.145 9.264 3.910 1.00 70.12 C ATOM 592 C PRO A 37 -12.274 8.467 4.555 1.00 61.31 C ATOM 593 O PRO A 37 -12.429 8.464 5.776 1.00 3.10 O ATOM 594 CB PRO A 37 -11.626 9.937 2.612 1.00 74.20 C ATOM 595 CG PRO A 37 -10.710 9.452 1.530 1.00 21.42 C ATOM 596 CD PRO A 37 -10.094 8.179 2.029 1.00 71.51 C ATOM 0 HA PRO A 37 -10.823 9.979 4.667 1.00 70.12 H new ATOM 0 HB2 PRO A 37 -12.661 9.671 2.395 1.00 74.20 H new ATOM 0 HB3 PRO A 37 -11.587 11.023 2.698 1.00 74.20 H new ATOM 0 HG2 PRO A 37 -11.260 9.280 0.605 1.00 21.42 H new ATOM 0 HG3 PRO A 37 -9.942 10.194 1.311 1.00 21.42 H new ATOM 0 HD2 PRO A 37 -10.693 7.307 1.766 1.00 71.51 H new ATOM 0 HD3 PRO A 37 -9.099 8.019 1.614 1.00 71.51 H new ATOM 604 N SER A 38 -13.050 7.774 3.734 1.00 45.11 N ATOM 605 CA SER A 38 -14.118 6.928 4.238 1.00 44.41 C ATOM 606 C SER A 38 -13.593 5.515 4.468 1.00 52.12 C ATOM 607 O SER A 38 -14.212 4.707 5.161 1.00 75.24 O ATOM 608 CB SER A 38 -15.283 6.910 3.248 1.00 3.02 C ATOM 609 OG SER A 38 -15.682 8.229 2.909 1.00 22.41 O ATOM 0 H SER A 38 -12.959 7.782 2.718 1.00 45.11 H new ATOM 0 HA SER A 38 -14.475 7.328 5.187 1.00 44.41 H new ATOM 0 HB2 SER A 38 -14.991 6.372 2.347 1.00 3.02 H new ATOM 0 HB3 SER A 38 -16.125 6.371 3.682 1.00 3.02 H new ATOM 0 HG SER A 38 -16.427 8.192 2.274 1.00 22.41 H new ATOM 615 N LEU A 39 -12.420 5.243 3.901 1.00 31.14 N ATOM 616 CA LEU A 39 -11.800 3.925 3.985 1.00 61.01 C ATOM 617 C LEU A 39 -11.342 3.615 5.405 1.00 2.33 C ATOM 618 O LEU A 39 -11.180 2.453 5.773 1.00 13.24 O ATOM 619 CB LEU A 39 -10.605 3.841 3.030 1.00 71.55 C ATOM 620 CG LEU A 39 -10.937 4.033 1.550 1.00 12.54 C ATOM 621 CD1 LEU A 39 -9.668 4.020 0.714 1.00 55.21 C ATOM 622 CD2 LEU A 39 -11.895 2.952 1.075 1.00 74.20 C ATOM 0 H LEU A 39 -11.876 5.926 3.374 1.00 31.14 H new ATOM 0 HA LEU A 39 -12.550 3.187 3.698 1.00 61.01 H new ATOM 0 HB2 LEU A 39 -9.874 4.595 3.322 1.00 71.55 H new ATOM 0 HB3 LEU A 39 -10.128 2.869 3.155 1.00 71.55 H new ATOM 0 HG LEU A 39 -11.421 5.002 1.429 1.00 12.54 H new ATOM 0 HD11 LEU A 39 -9.923 4.158 -0.337 1.00 55.21 H new ATOM 0 HD12 LEU A 39 -9.011 4.828 1.037 1.00 55.21 H new ATOM 0 HD13 LEU A 39 -9.158 3.065 0.841 1.00 55.21 H new ATOM 0 HD21 LEU A 39 -12.121 3.104 0.019 1.00 74.20 H new ATOM 0 HD22 LEU A 39 -11.435 1.973 1.211 1.00 74.20 H new ATOM 0 HD23 LEU A 39 -12.817 3.003 1.654 1.00 74.20 H new ATOM 634 N LEU A 40 -11.145 4.660 6.201 1.00 32.54 N ATOM 635 CA LEU A 40 -10.681 4.499 7.572 1.00 35.31 C ATOM 636 C LEU A 40 -11.854 4.181 8.500 1.00 54.21 C ATOM 637 O LEU A 40 -11.695 4.115 9.720 1.00 10.40 O ATOM 638 CB LEU A 40 -9.957 5.769 8.034 1.00 52.53 C ATOM 639 CG LEU A 40 -9.192 5.644 9.354 1.00 71.44 C ATOM 640 CD1 LEU A 40 -8.090 4.600 9.241 1.00 33.34 C ATOM 641 CD2 LEU A 40 -8.613 6.990 9.761 1.00 64.42 C ATOM 0 H LEU A 40 -11.300 5.628 5.919 1.00 32.54 H new ATOM 0 HA LEU A 40 -9.981 3.665 7.610 1.00 35.31 H new ATOM 0 HB2 LEU A 40 -9.257 6.072 7.255 1.00 52.53 H new ATOM 0 HB3 LEU A 40 -10.690 6.570 8.133 1.00 52.53 H new ATOM 0 HG LEU A 40 -9.890 5.320 10.126 1.00 71.44 H new ATOM 0 HD11 LEU A 40 -7.559 4.527 10.190 1.00 33.34 H new ATOM 0 HD12 LEU A 40 -8.529 3.633 8.996 1.00 33.34 H new ATOM 0 HD13 LEU A 40 -7.392 4.891 8.456 1.00 33.34 H new ATOM 0 HD21 LEU A 40 -8.072 6.884 10.701 1.00 64.42 H new ATOM 0 HD22 LEU A 40 -7.930 7.341 8.987 1.00 64.42 H new ATOM 0 HD23 LEU A 40 -9.421 7.711 9.886 1.00 64.42 H new ATOM 653 N LYS A 41 -13.040 4.015 7.901 1.00 35.24 N ATOM 654 CA LYS A 41 -14.268 3.638 8.616 1.00 23.00 C ATOM 655 C LYS A 41 -14.808 4.811 9.443 1.00 45.04 C ATOM 656 O LYS A 41 -16.017 4.951 9.627 1.00 73.40 O ATOM 657 CB LYS A 41 -14.016 2.410 9.514 1.00 13.42 C ATOM 658 CG LYS A 41 -15.198 1.454 9.635 1.00 31.23 C ATOM 659 CD LYS A 41 -16.338 2.033 10.458 1.00 11.45 C ATOM 660 CE LYS A 41 -17.537 1.098 10.466 1.00 14.21 C ATOM 661 NZ LYS A 41 -18.657 1.618 11.295 1.00 1.02 N ATOM 0 H LYS A 41 -13.176 4.139 6.898 1.00 35.24 H new ATOM 0 HA LYS A 41 -15.023 3.375 7.875 1.00 23.00 H new ATOM 0 HB2 LYS A 41 -13.160 1.860 9.122 1.00 13.42 H new ATOM 0 HB3 LYS A 41 -13.743 2.756 10.511 1.00 13.42 H new ATOM 0 HG2 LYS A 41 -15.564 1.207 8.638 1.00 31.23 H new ATOM 0 HG3 LYS A 41 -14.862 0.523 10.091 1.00 31.23 H new ATOM 0 HD2 LYS A 41 -16.001 2.206 11.480 1.00 11.45 H new ATOM 0 HD3 LYS A 41 -16.630 3.001 10.050 1.00 11.45 H new ATOM 0 HE2 LYS A 41 -17.884 0.949 9.444 1.00 14.21 H new ATOM 0 HE3 LYS A 41 -17.231 0.123 10.844 1.00 14.21 H new ATOM 0 HZ1 LYS A 41 -19.450 0.946 11.268 1.00 1.02 H new ATOM 0 HZ2 LYS A 41 -18.336 1.736 12.277 1.00 1.02 H new ATOM 0 HZ3 LYS A 41 -18.969 2.536 10.920 1.00 1.02 H new ATOM 675 N GLY A 42 -13.911 5.660 9.917 1.00 1.00 N ATOM 676 CA GLY A 42 -14.297 6.754 10.783 1.00 50.41 C ATOM 677 C GLY A 42 -13.903 6.474 12.216 1.00 31.31 C ATOM 678 O GLY A 42 -14.357 7.142 13.147 1.00 22.31 O ATOM 0 H GLY A 42 -12.912 5.610 9.715 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -13.823 7.675 10.445 1.00 50.41 H new ATOM 0 HA3 GLY A 42 -15.374 6.909 10.722 1.00 50.41 H new ATOM 682 N MET A 43 -13.055 5.471 12.386 1.00 50.41 N ATOM 683 CA MET A 43 -12.598 5.067 13.703 1.00 31.13 C ATOM 684 C MET A 43 -11.315 5.817 14.056 1.00 62.23 C ATOM 685 O MET A 43 -10.643 6.357 13.176 1.00 35.50 O ATOM 686 CB MET A 43 -12.373 3.548 13.736 1.00 1.34 C ATOM 687 CG MET A 43 -12.139 2.989 15.130 1.00 41.23 C ATOM 688 SD MET A 43 -12.056 1.189 15.157 1.00 13.35 S ATOM 689 CE MET A 43 -11.793 0.902 16.905 1.00 44.35 C ATOM 0 H MET A 43 -12.668 4.919 11.620 1.00 50.41 H new ATOM 0 HA MET A 43 -13.358 5.315 14.444 1.00 31.13 H new ATOM 0 HB2 MET A 43 -13.239 3.053 13.298 1.00 1.34 H new ATOM 0 HB3 MET A 43 -11.515 3.304 13.109 1.00 1.34 H new ATOM 0 HG2 MET A 43 -11.210 3.397 15.529 1.00 41.23 H new ATOM 0 HG3 MET A 43 -12.941 3.321 15.789 1.00 41.23 H new ATOM 0 HE1 MET A 43 -11.719 -0.170 17.091 1.00 44.35 H new ATOM 0 HE2 MET A 43 -10.870 1.389 17.219 1.00 44.35 H new ATOM 0 HE3 MET A 43 -12.630 1.312 17.471 1.00 44.35 H new ATOM 699 N SER A 44 -10.978 5.845 15.338 1.00 45.44 N ATOM 700 CA SER A 44 -9.819 6.583 15.829 1.00 71.22 C ATOM 701 C SER A 44 -8.506 5.853 15.530 1.00 41.02 C ATOM 702 O SER A 44 -7.527 5.997 16.259 1.00 25.24 O ATOM 703 CB SER A 44 -9.969 6.800 17.334 1.00 11.02 C ATOM 704 OG SER A 44 -11.220 7.403 17.629 1.00 21.42 O ATOM 0 H SER A 44 -11.499 5.358 16.067 1.00 45.44 H new ATOM 0 HA SER A 44 -9.779 7.542 15.312 1.00 71.22 H new ATOM 0 HB2 SER A 44 -9.887 5.846 17.855 1.00 11.02 H new ATOM 0 HB3 SER A 44 -9.159 7.432 17.698 1.00 11.02 H new ATOM 0 HG SER A 44 -11.300 7.533 18.597 1.00 21.42 H new ATOM 710 N THR A 45 -8.477 5.103 14.434 1.00 53.12 N ATOM 711 CA THR A 45 -7.298 4.341 14.050 1.00 14.23 C ATOM 712 C THR A 45 -6.097 5.259 13.816 1.00 13.52 C ATOM 713 O THR A 45 -4.957 4.885 14.086 1.00 34.42 O ATOM 714 CB THR A 45 -7.580 3.514 12.782 1.00 1.00 C ATOM 715 OG1 THR A 45 -8.830 2.831 12.934 1.00 35.04 O ATOM 716 CG2 THR A 45 -6.475 2.497 12.532 1.00 64.31 C ATOM 0 H THR A 45 -9.264 5.007 13.792 1.00 53.12 H new ATOM 0 HA THR A 45 -7.058 3.665 14.871 1.00 14.23 H new ATOM 0 HB THR A 45 -7.621 4.191 11.929 1.00 1.00 H new ATOM 0 HG1 THR A 45 -9.015 2.304 12.129 1.00 35.04 H new ATOM 0 HG21 THR A 45 -6.701 1.928 11.630 1.00 64.31 H new ATOM 0 HG22 THR A 45 -5.525 3.016 12.405 1.00 64.31 H new ATOM 0 HG23 THR A 45 -6.406 1.818 13.382 1.00 64.31 H new ATOM 724 N LEU A 46 -6.357 6.473 13.336 1.00 75.44 N ATOM 725 CA LEU A 46 -5.290 7.441 13.117 1.00 40.34 C ATOM 726 C LEU A 46 -4.685 7.874 14.453 1.00 45.34 C ATOM 727 O LEU A 46 -3.482 8.094 14.558 1.00 12.34 O ATOM 728 CB LEU A 46 -5.805 8.649 12.315 1.00 24.21 C ATOM 729 CG LEU A 46 -6.890 9.503 12.984 1.00 13.45 C ATOM 730 CD1 LEU A 46 -6.265 10.601 13.836 1.00 24.21 C ATOM 731 CD2 LEU A 46 -7.815 10.103 11.935 1.00 21.11 C ATOM 0 H LEU A 46 -7.290 6.806 13.094 1.00 75.44 H new ATOM 0 HA LEU A 46 -4.504 6.968 12.528 1.00 40.34 H new ATOM 0 HB2 LEU A 46 -4.956 9.294 12.086 1.00 24.21 H new ATOM 0 HB3 LEU A 46 -6.195 8.286 11.364 1.00 24.21 H new ATOM 0 HG LEU A 46 -7.478 8.859 13.638 1.00 13.45 H new ATOM 0 HD11 LEU A 46 -7.053 11.194 14.301 1.00 24.21 H new ATOM 0 HD12 LEU A 46 -5.644 10.151 14.611 1.00 24.21 H new ATOM 0 HD13 LEU A 46 -5.650 11.244 13.207 1.00 24.21 H new ATOM 0 HD21 LEU A 46 -8.579 10.706 12.426 1.00 21.11 H new ATOM 0 HD22 LEU A 46 -7.237 10.731 11.257 1.00 21.11 H new ATOM 0 HD23 LEU A 46 -8.292 9.302 11.370 1.00 21.11 H new ATOM 743 N ASP A 47 -5.524 7.961 15.478 1.00 22.32 N ATOM 744 CA ASP A 47 -5.065 8.310 16.818 1.00 20.42 C ATOM 745 C ASP A 47 -4.319 7.127 17.414 1.00 52.51 C ATOM 746 O ASP A 47 -3.270 7.283 18.040 1.00 52.42 O ATOM 747 CB ASP A 47 -6.256 8.690 17.704 1.00 52.42 C ATOM 748 CG ASP A 47 -5.846 9.144 19.094 1.00 61.03 C ATOM 749 OD1 ASP A 47 -5.519 8.284 19.938 1.00 14.33 O ATOM 750 OD2 ASP A 47 -5.883 10.364 19.360 1.00 52.32 O ATOM 0 H ASP A 47 -6.528 7.794 15.407 1.00 22.32 H new ATOM 0 HA ASP A 47 -4.395 9.168 16.760 1.00 20.42 H new ATOM 0 HB2 ASP A 47 -6.821 9.487 17.220 1.00 52.42 H new ATOM 0 HB3 ASP A 47 -6.924 7.833 17.791 1.00 52.42 H new ATOM 755 N GLU A 48 -4.875 5.942 17.184 1.00 34.04 N ATOM 756 CA GLU A 48 -4.277 4.687 17.618 1.00 22.52 C ATOM 757 C GLU A 48 -2.854 4.541 17.080 1.00 74.23 C ATOM 758 O GLU A 48 -1.944 4.161 17.808 1.00 53.05 O ATOM 759 CB GLU A 48 -5.142 3.514 17.134 1.00 33.54 C ATOM 760 CG GLU A 48 -4.512 2.140 17.330 1.00 24.33 C ATOM 761 CD GLU A 48 -4.528 1.670 18.771 1.00 72.35 C ATOM 762 OE1 GLU A 48 -5.507 1.005 19.169 1.00 15.10 O ATOM 763 OE2 GLU A 48 -3.556 1.940 19.506 1.00 74.32 O ATOM 0 H GLU A 48 -5.759 5.826 16.688 1.00 34.04 H new ATOM 0 HA GLU A 48 -4.229 4.684 18.707 1.00 22.52 H new ATOM 0 HB2 GLU A 48 -6.096 3.541 17.661 1.00 33.54 H new ATOM 0 HB3 GLU A 48 -5.359 3.652 16.075 1.00 33.54 H new ATOM 0 HG2 GLU A 48 -5.042 1.414 16.713 1.00 24.33 H new ATOM 0 HG3 GLU A 48 -3.481 2.167 16.976 1.00 24.33 H new ATOM 770 N LEU A 49 -2.662 4.853 15.808 1.00 72.43 N ATOM 771 CA LEU A 49 -1.369 4.640 15.178 1.00 73.13 C ATOM 772 C LEU A 49 -0.439 5.836 15.342 1.00 15.43 C ATOM 773 O LEU A 49 0.648 5.702 15.897 1.00 1.00 O ATOM 774 CB LEU A 49 -1.557 4.329 13.691 1.00 12.34 C ATOM 775 CG LEU A 49 -2.360 3.062 13.391 1.00 63.22 C ATOM 776 CD1 LEU A 49 -2.564 2.904 11.893 1.00 61.55 C ATOM 777 CD2 LEU A 49 -1.663 1.837 13.965 1.00 12.03 C ATOM 0 H LEU A 49 -3.376 5.250 15.197 1.00 72.43 H new ATOM 0 HA LEU A 49 -0.901 3.792 15.679 1.00 73.13 H new ATOM 0 HB2 LEU A 49 -2.054 5.176 13.218 1.00 12.34 H new ATOM 0 HB3 LEU A 49 -0.575 4.236 13.228 1.00 12.34 H new ATOM 0 HG LEU A 49 -3.337 3.155 13.865 1.00 63.22 H new ATOM 0 HD11 LEU A 49 -3.137 1.998 11.697 1.00 61.55 H new ATOM 0 HD12 LEU A 49 -3.107 3.767 11.507 1.00 61.55 H new ATOM 0 HD13 LEU A 49 -1.595 2.834 11.399 1.00 61.55 H new ATOM 0 HD21 LEU A 49 -2.250 0.946 13.741 1.00 12.03 H new ATOM 0 HD22 LEU A 49 -0.672 1.740 13.520 1.00 12.03 H new ATOM 0 HD23 LEU A 49 -1.567 1.946 15.045 1.00 12.03 H new ATOM 789 N PHE A 50 -0.885 7.011 14.912 1.00 34.23 N ATOM 790 CA PHE A 50 0.015 8.155 14.786 1.00 72.33 C ATOM 791 C PHE A 50 0.420 8.733 16.136 1.00 14.32 C ATOM 792 O PHE A 50 1.602 8.916 16.403 1.00 73.21 O ATOM 793 CB PHE A 50 -0.606 9.250 13.914 1.00 53.25 C ATOM 794 CG PHE A 50 -0.723 8.869 12.466 1.00 3.14 C ATOM 795 CD1 PHE A 50 0.408 8.763 11.672 1.00 62.50 C ATOM 796 CD2 PHE A 50 -1.960 8.614 11.898 1.00 62.43 C ATOM 797 CE1 PHE A 50 0.307 8.412 10.340 1.00 3.35 C ATOM 798 CE2 PHE A 50 -2.068 8.261 10.566 1.00 41.40 C ATOM 799 CZ PHE A 50 -0.933 8.161 9.785 1.00 51.13 C ATOM 0 H PHE A 50 -1.852 7.197 14.647 1.00 34.23 H new ATOM 0 HA PHE A 50 0.919 7.782 14.304 1.00 72.33 H new ATOM 0 HB2 PHE A 50 -1.597 9.492 14.299 1.00 53.25 H new ATOM 0 HB3 PHE A 50 -0.003 10.154 13.996 1.00 53.25 H new ATOM 0 HD1 PHE A 50 1.380 8.957 12.100 1.00 62.50 H new ATOM 0 HD2 PHE A 50 -2.851 8.692 12.503 1.00 62.43 H new ATOM 0 HE1 PHE A 50 1.197 8.334 9.733 1.00 3.35 H new ATOM 0 HE2 PHE A 50 -3.039 8.064 10.136 1.00 41.40 H new ATOM 0 HZ PHE A 50 -1.015 7.887 8.743 1.00 51.13 H new ATOM 809 N GLU A 51 -0.542 8.997 17.007 1.00 64.42 N ATOM 810 CA GLU A 51 -0.226 9.659 18.267 1.00 73.53 C ATOM 811 C GLU A 51 0.493 8.698 19.216 1.00 45.44 C ATOM 812 O GLU A 51 1.162 9.121 20.158 1.00 32.34 O ATOM 813 CB GLU A 51 -1.488 10.226 18.921 1.00 14.21 C ATOM 814 CG GLU A 51 -1.190 11.209 20.046 1.00 40.01 C ATOM 815 CD GLU A 51 -2.436 11.842 20.625 1.00 51.32 C ATOM 816 OE1 GLU A 51 -2.888 12.876 20.091 1.00 51.31 O ATOM 817 OE2 GLU A 51 -2.965 11.313 21.622 1.00 23.41 O ATOM 0 H GLU A 51 -1.527 8.770 16.872 1.00 64.42 H new ATOM 0 HA GLU A 51 0.443 10.492 18.052 1.00 73.53 H new ATOM 0 HB2 GLU A 51 -2.091 10.724 18.162 1.00 14.21 H new ATOM 0 HB3 GLU A 51 -2.087 9.404 19.314 1.00 14.21 H new ATOM 0 HG2 GLU A 51 -0.650 10.692 20.839 1.00 40.01 H new ATOM 0 HG3 GLU A 51 -0.532 11.993 19.671 1.00 40.01 H new ATOM 824 N GLU A 52 0.374 7.407 18.942 1.00 13.51 N ATOM 825 CA GLU A 52 1.020 6.391 19.758 1.00 72.32 C ATOM 826 C GLU A 52 2.437 6.095 19.282 1.00 15.11 C ATOM 827 O GLU A 52 3.206 5.442 19.988 1.00 23.11 O ATOM 828 CB GLU A 52 0.201 5.104 19.765 1.00 54.12 C ATOM 829 CG GLU A 52 -0.789 5.028 20.909 1.00 23.32 C ATOM 830 CD GLU A 52 -0.094 5.075 22.252 1.00 54.32 C ATOM 831 OE1 GLU A 52 0.712 4.166 22.539 1.00 21.33 O ATOM 832 OE2 GLU A 52 -0.340 6.028 23.023 1.00 32.14 O ATOM 0 H GLU A 52 -0.165 7.038 18.159 1.00 13.51 H new ATOM 0 HA GLU A 52 1.080 6.787 20.772 1.00 72.32 H new ATOM 0 HB2 GLU A 52 -0.338 5.020 18.821 1.00 54.12 H new ATOM 0 HB3 GLU A 52 0.878 4.252 19.823 1.00 54.12 H new ATOM 0 HG2 GLU A 52 -1.495 5.855 20.835 1.00 23.32 H new ATOM 0 HG3 GLU A 52 -1.367 4.107 20.830 1.00 23.32 H new ATOM 839 N LEU A 53 2.790 6.560 18.093 1.00 13.11 N ATOM 840 CA LEU A 53 4.125 6.308 17.567 1.00 71.42 C ATOM 841 C LEU A 53 4.903 7.606 17.364 1.00 10.21 C ATOM 842 O LEU A 53 6.078 7.692 17.722 1.00 42.04 O ATOM 843 CB LEU A 53 4.042 5.527 16.252 1.00 55.22 C ATOM 844 CG LEU A 53 3.447 4.122 16.366 1.00 43.55 C ATOM 845 CD1 LEU A 53 3.350 3.469 14.995 1.00 75.42 C ATOM 846 CD2 LEU A 53 4.280 3.265 17.307 1.00 21.23 C ATOM 0 H LEU A 53 2.182 7.105 17.482 1.00 13.11 H new ATOM 0 HA LEU A 53 4.663 5.709 18.302 1.00 71.42 H new ATOM 0 HB2 LEU A 53 3.444 6.101 15.544 1.00 55.22 H new ATOM 0 HB3 LEU A 53 5.044 5.447 15.832 1.00 55.22 H new ATOM 0 HG LEU A 53 2.441 4.208 16.777 1.00 43.55 H new ATOM 0 HD11 LEU A 53 2.925 2.471 15.097 1.00 75.42 H new ATOM 0 HD12 LEU A 53 2.711 4.072 14.349 1.00 75.42 H new ATOM 0 HD13 LEU A 53 4.345 3.396 14.555 1.00 75.42 H new ATOM 0 HD21 LEU A 53 3.842 2.269 17.376 1.00 21.23 H new ATOM 0 HD22 LEU A 53 5.298 3.188 16.924 1.00 21.23 H new ATOM 0 HD23 LEU A 53 4.298 3.723 18.296 1.00 21.23 H new ATOM 858 N ASP A 54 4.232 8.629 16.857 1.00 42.34 N ATOM 859 CA ASP A 54 4.895 9.884 16.513 1.00 21.21 C ATOM 860 C ASP A 54 4.872 10.861 17.689 1.00 33.05 C ATOM 861 O ASP A 54 4.925 12.075 17.517 1.00 53.22 O ATOM 862 CB ASP A 54 4.230 10.505 15.282 1.00 25.33 C ATOM 863 CG ASP A 54 5.079 11.584 14.644 1.00 34.15 C ATOM 864 OD1 ASP A 54 6.246 11.300 14.288 1.00 12.33 O ATOM 865 OD2 ASP A 54 4.591 12.714 14.491 1.00 51.11 O ATOM 0 H ASP A 54 3.229 8.618 16.674 1.00 42.34 H new ATOM 0 HA ASP A 54 5.938 9.670 16.281 1.00 21.21 H new ATOM 0 HB2 ASP A 54 4.030 9.724 14.549 1.00 25.33 H new ATOM 0 HB3 ASP A 54 3.267 10.927 15.568 1.00 25.33 H new ATOM 870 N LYS A 55 4.847 10.324 18.900 1.00 72.11 N ATOM 871 CA LYS A 55 4.842 11.159 20.099 1.00 51.40 C ATOM 872 C LYS A 55 6.278 11.536 20.488 1.00 14.14 C ATOM 873 O LYS A 55 6.526 12.106 21.553 1.00 1.00 O ATOM 874 CB LYS A 55 4.106 10.434 21.249 1.00 33.04 C ATOM 875 CG LYS A 55 5.000 9.783 22.306 1.00 60.41 C ATOM 876 CD LYS A 55 5.855 8.648 21.757 1.00 30.11 C ATOM 877 CE LYS A 55 5.043 7.399 21.474 1.00 34.13 C ATOM 878 NZ LYS A 55 5.923 6.227 21.213 1.00 21.44 N ATOM 0 H LYS A 55 4.830 9.320 19.081 1.00 72.11 H new ATOM 0 HA LYS A 55 4.303 12.084 19.893 1.00 51.40 H new ATOM 0 HB2 LYS A 55 3.452 11.151 21.745 1.00 33.04 H new ATOM 0 HB3 LYS A 55 3.466 9.664 20.817 1.00 33.04 H new ATOM 0 HG2 LYS A 55 5.651 10.543 22.739 1.00 60.41 H new ATOM 0 HG3 LYS A 55 4.376 9.400 23.114 1.00 60.41 H new ATOM 0 HD2 LYS A 55 6.344 8.976 20.840 1.00 30.11 H new ATOM 0 HD3 LYS A 55 6.643 8.412 22.472 1.00 30.11 H new ATOM 0 HE2 LYS A 55 4.393 7.186 22.322 1.00 34.13 H new ATOM 0 HE3 LYS A 55 4.397 7.570 20.613 1.00 34.13 H new ATOM 0 HZ1 LYS A 55 5.391 5.503 20.689 1.00 21.44 H new ATOM 0 HZ2 LYS A 55 6.744 6.528 20.651 1.00 21.44 H new ATOM 0 HZ3 LYS A 55 6.249 5.830 22.117 1.00 21.44 H new ATOM 892 N ASN A 56 7.207 11.244 19.580 1.00 50.03 N ATOM 893 CA ASN A 56 8.647 11.370 19.831 1.00 73.21 C ATOM 894 C ASN A 56 9.028 12.767 20.312 1.00 4.53 C ATOM 895 O ASN A 56 9.913 12.920 21.158 1.00 15.23 O ATOM 896 CB ASN A 56 9.444 11.055 18.562 1.00 32.53 C ATOM 897 CG ASN A 56 8.949 9.826 17.827 1.00 12.01 C ATOM 898 OD1 ASN A 56 8.098 10.036 16.835 1.00 62.11 O flip ATOM 899 ND2 ASN A 56 9.340 8.703 18.135 1.00 32.11 N flip ATOM 0 H ASN A 56 6.983 10.911 18.642 1.00 50.03 H new ATOM 0 HA ASN A 56 8.889 10.654 20.616 1.00 73.21 H new ATOM 0 HB2 ASN A 56 9.398 11.913 17.891 1.00 32.53 H new ATOM 0 HB3 ASN A 56 10.492 10.913 18.826 1.00 32.53 H new ATOM 0 HD21 ASN A 56 9.997 8.585 18.907 1.00 32.11 H new ATOM 0 HD22 ASN A 56 9.008 7.888 17.619 1.00 32.11 H new ATOM 906 N GLY A 57 8.378 13.778 19.761 1.00 64.42 N ATOM 907 CA GLY A 57 8.666 15.144 20.148 1.00 71.04 C ATOM 908 C GLY A 57 7.728 16.122 19.484 1.00 32.11 C ATOM 909 O GLY A 57 6.996 16.847 20.156 1.00 63.51 O ATOM 0 H GLY A 57 7.653 13.678 19.050 1.00 64.42 H new ATOM 0 HA2 GLY A 57 8.585 15.240 21.231 1.00 71.04 H new ATOM 0 HA3 GLY A 57 9.694 15.388 19.882 1.00 71.04 H new ATOM 913 N ASP A 58 7.746 16.134 18.161 1.00 24.34 N ATOM 914 CA ASP A 58 6.850 16.984 17.392 1.00 4.33 C ATOM 915 C ASP A 58 5.476 16.346 17.301 1.00 31.24 C ATOM 916 O ASP A 58 5.344 15.128 17.422 1.00 63.23 O ATOM 917 CB ASP A 58 7.390 17.213 15.973 1.00 61.54 C ATOM 918 CG ASP A 58 8.645 18.060 15.937 1.00 34.45 C ATOM 919 OD1 ASP A 58 9.751 17.499 16.090 1.00 40.23 O ATOM 920 OD2 ASP A 58 8.534 19.289 15.736 1.00 53.21 O ATOM 0 H ASP A 58 8.374 15.563 17.595 1.00 24.34 H new ATOM 0 HA ASP A 58 6.780 17.944 17.903 1.00 4.33 H new ATOM 0 HB2 ASP A 58 7.598 16.248 15.511 1.00 61.54 H new ATOM 0 HB3 ASP A 58 6.618 17.694 15.372 1.00 61.54 H new ATOM 925 N GLY A 59 4.463 17.173 17.098 1.00 15.04 N ATOM 926 CA GLY A 59 3.127 16.674 16.847 1.00 1.31 C ATOM 927 C GLY A 59 2.848 16.615 15.361 1.00 54.13 C ATOM 928 O GLY A 59 1.708 16.427 14.930 1.00 55.31 O ATOM 0 H GLY A 59 4.543 18.190 17.103 1.00 15.04 H new ATOM 0 HA2 GLY A 59 3.017 15.681 17.282 1.00 1.31 H new ATOM 0 HA3 GLY A 59 2.395 17.319 17.334 1.00 1.31 H new ATOM 932 N GLU A 60 3.904 16.807 14.581 1.00 41.31 N ATOM 933 CA GLU A 60 3.825 16.739 13.135 1.00 11.32 C ATOM 934 C GLU A 60 4.363 15.383 12.693 1.00 64.14 C ATOM 935 O GLU A 60 5.478 15.017 13.069 1.00 51.34 O ATOM 936 CB GLU A 60 4.657 17.857 12.490 1.00 62.11 C ATOM 937 CG GLU A 60 4.714 19.155 13.292 1.00 61.53 C ATOM 938 CD GLU A 60 3.362 19.808 13.509 1.00 33.24 C ATOM 939 OE1 GLU A 60 2.827 20.423 12.560 1.00 23.44 O ATOM 940 OE2 GLU A 60 2.838 19.735 14.636 1.00 30.11 O ATOM 0 H GLU A 60 4.837 17.014 14.937 1.00 41.31 H new ATOM 0 HA GLU A 60 2.789 16.864 12.821 1.00 11.32 H new ATOM 0 HB2 GLU A 60 5.674 17.494 12.340 1.00 62.11 H new ATOM 0 HB3 GLU A 60 4.247 18.073 11.504 1.00 62.11 H new ATOM 0 HG2 GLU A 60 5.167 18.951 14.262 1.00 61.53 H new ATOM 0 HG3 GLU A 60 5.367 19.859 12.777 1.00 61.53 H new ATOM 947 N VAL A 61 3.597 14.672 11.873 1.00 72.42 N ATOM 948 CA VAL A 61 3.911 13.285 11.519 1.00 62.02 C ATOM 949 C VAL A 61 5.274 13.181 10.836 1.00 45.23 C ATOM 950 O VAL A 61 5.429 13.546 9.670 1.00 71.22 O ATOM 951 CB VAL A 61 2.824 12.699 10.593 1.00 31.15 C ATOM 952 CG1 VAL A 61 3.138 11.261 10.210 1.00 15.13 C ATOM 953 CG2 VAL A 61 1.456 12.791 11.250 1.00 33.30 C ATOM 0 H VAL A 61 2.748 15.032 11.437 1.00 72.42 H new ATOM 0 HA VAL A 61 3.942 12.711 12.445 1.00 62.02 H new ATOM 0 HB VAL A 61 2.811 13.291 9.678 1.00 31.15 H new ATOM 0 HG11 VAL A 61 2.353 10.878 9.558 1.00 15.13 H new ATOM 0 HG12 VAL A 61 4.094 11.224 9.688 1.00 15.13 H new ATOM 0 HG13 VAL A 61 3.192 10.648 11.110 1.00 15.13 H new ATOM 0 HG21 VAL A 61 0.703 12.373 10.582 1.00 33.30 H new ATOM 0 HG22 VAL A 61 1.463 12.231 12.185 1.00 33.30 H new ATOM 0 HG23 VAL A 61 1.220 13.835 11.455 1.00 33.30 H new ATOM 963 N SER A 62 6.260 12.685 11.574 1.00 54.25 N ATOM 964 CA SER A 62 7.633 12.643 11.093 1.00 74.23 C ATOM 965 C SER A 62 7.843 11.537 10.057 1.00 1.00 C ATOM 966 O SER A 62 6.938 10.753 9.758 1.00 52.02 O ATOM 967 CB SER A 62 8.601 12.457 12.266 1.00 73.15 C ATOM 968 OG SER A 62 8.415 11.203 12.897 1.00 63.50 O ATOM 0 H SER A 62 6.132 12.305 12.512 1.00 54.25 H new ATOM 0 HA SER A 62 7.837 13.595 10.604 1.00 74.23 H new ATOM 0 HB2 SER A 62 9.628 12.537 11.908 1.00 73.15 H new ATOM 0 HB3 SER A 62 8.453 13.257 12.992 1.00 73.15 H new ATOM 0 HG SER A 62 7.745 11.290 13.607 1.00 63.50 H new ATOM 974 N PHE A 63 9.057 11.479 9.526 1.00 64.51 N ATOM 975 CA PHE A 63 9.410 10.523 8.484 1.00 70.33 C ATOM 976 C PHE A 63 9.545 9.099 9.028 1.00 24.21 C ATOM 977 O PHE A 63 9.789 8.163 8.271 1.00 73.23 O ATOM 978 CB PHE A 63 10.717 10.947 7.804 1.00 11.25 C ATOM 979 CG PHE A 63 11.903 11.014 8.733 1.00 63.53 C ATOM 980 CD1 PHE A 63 12.154 12.155 9.483 1.00 53.41 C ATOM 981 CD2 PHE A 63 12.770 9.937 8.854 1.00 34.51 C ATOM 982 CE1 PHE A 63 13.242 12.218 10.334 1.00 42.14 C ATOM 983 CE2 PHE A 63 13.859 9.996 9.703 1.00 1.13 C ATOM 984 CZ PHE A 63 14.096 11.137 10.443 1.00 63.23 C ATOM 0 H PHE A 63 9.824 12.092 9.804 1.00 64.51 H new ATOM 0 HA PHE A 63 8.599 10.521 7.756 1.00 70.33 H new ATOM 0 HB2 PHE A 63 10.939 10.246 6.999 1.00 11.25 H new ATOM 0 HB3 PHE A 63 10.574 11.925 7.344 1.00 11.25 H new ATOM 0 HD1 PHE A 63 11.491 13.004 9.401 1.00 53.41 H new ATOM 0 HD2 PHE A 63 12.591 9.041 8.277 1.00 34.51 H new ATOM 0 HE1 PHE A 63 13.424 13.111 10.913 1.00 42.14 H new ATOM 0 HE2 PHE A 63 14.524 9.150 9.787 1.00 1.13 H new ATOM 0 HZ PHE A 63 14.947 11.185 11.106 1.00 63.23 H new ATOM 994 N GLU A 64 9.391 8.924 10.332 1.00 60.24 N ATOM 995 CA GLU A 64 9.516 7.597 10.916 1.00 25.42 C ATOM 996 C GLU A 64 8.209 6.824 10.765 1.00 13.42 C ATOM 997 O GLU A 64 8.217 5.602 10.607 1.00 13.41 O ATOM 998 CB GLU A 64 9.922 7.679 12.389 1.00 73.34 C ATOM 999 CG GLU A 64 10.379 6.341 12.952 1.00 33.10 C ATOM 1000 CD GLU A 64 10.804 6.407 14.403 1.00 41.32 C ATOM 1001 OE1 GLU A 64 11.653 7.255 14.746 1.00 62.43 O ATOM 1002 OE2 GLU A 64 10.328 5.572 15.202 1.00 42.02 O ATOM 0 H GLU A 64 9.183 9.670 10.996 1.00 60.24 H new ATOM 0 HA GLU A 64 10.301 7.065 10.380 1.00 25.42 H new ATOM 0 HB2 GLU A 64 10.725 8.407 12.499 1.00 73.34 H new ATOM 0 HB3 GLU A 64 9.078 8.044 12.974 1.00 73.34 H new ATOM 0 HG2 GLU A 64 9.569 5.619 12.852 1.00 33.10 H new ATOM 0 HG3 GLU A 64 11.212 5.971 12.355 1.00 33.10 H new ATOM 1009 N GLU A 65 7.094 7.548 10.764 1.00 11.43 N ATOM 1010 CA GLU A 65 5.772 6.927 10.725 1.00 1.00 C ATOM 1011 C GLU A 65 5.572 6.062 9.486 1.00 30.21 C ATOM 1012 O GLU A 65 5.188 4.899 9.594 1.00 31.11 O ATOM 1013 CB GLU A 65 4.677 7.987 10.799 1.00 24.21 C ATOM 1014 CG GLU A 65 4.567 8.639 12.163 1.00 13.35 C ATOM 1015 CD GLU A 65 4.283 7.632 13.259 1.00 55.25 C ATOM 1016 OE1 GLU A 65 5.252 7.096 13.836 1.00 53.21 O ATOM 1017 OE2 GLU A 65 3.094 7.376 13.540 1.00 43.31 O ATOM 0 H GLU A 65 7.079 8.568 10.790 1.00 11.43 H new ATOM 0 HA GLU A 65 5.706 6.275 11.596 1.00 1.00 H new ATOM 0 HB2 GLU A 65 4.873 8.755 10.051 1.00 24.21 H new ATOM 0 HB3 GLU A 65 3.721 7.530 10.544 1.00 24.21 H new ATOM 0 HG2 GLU A 65 5.495 9.166 12.388 1.00 13.35 H new ATOM 0 HG3 GLU A 65 3.773 9.386 12.144 1.00 13.35 H new ATOM 1024 N PHE A 66 5.844 6.610 8.305 1.00 54.23 N ATOM 1025 CA PHE A 66 5.621 5.855 7.077 1.00 23.51 C ATOM 1026 C PHE A 66 6.584 4.675 7.004 1.00 73.43 C ATOM 1027 O PHE A 66 6.288 3.661 6.380 1.00 42.41 O ATOM 1028 CB PHE A 66 5.732 6.745 5.822 1.00 24.35 C ATOM 1029 CG PHE A 66 7.134 7.069 5.374 1.00 60.21 C ATOM 1030 CD1 PHE A 66 7.805 6.233 4.493 1.00 65.23 C ATOM 1031 CD2 PHE A 66 7.770 8.216 5.813 1.00 33.31 C ATOM 1032 CE1 PHE A 66 9.081 6.536 4.063 1.00 4.14 C ATOM 1033 CE2 PHE A 66 9.048 8.523 5.388 1.00 13.32 C ATOM 1034 CZ PHE A 66 9.705 7.683 4.512 1.00 73.14 C ATOM 0 H PHE A 66 6.211 7.553 8.173 1.00 54.23 H new ATOM 0 HA PHE A 66 4.600 5.473 7.100 1.00 23.51 H new ATOM 0 HB2 PHE A 66 5.213 6.250 5.001 1.00 24.35 H new ATOM 0 HB3 PHE A 66 5.206 7.680 6.014 1.00 24.35 H new ATOM 0 HD1 PHE A 66 7.323 5.334 4.139 1.00 65.23 H new ATOM 0 HD2 PHE A 66 7.261 8.880 6.496 1.00 33.31 H new ATOM 0 HE1 PHE A 66 9.591 5.877 3.376 1.00 4.14 H new ATOM 0 HE2 PHE A 66 9.533 9.421 5.741 1.00 13.32 H new ATOM 0 HZ PHE A 66 10.704 7.922 4.179 1.00 73.14 H new ATOM 1044 N GLN A 67 7.718 4.802 7.681 1.00 72.34 N ATOM 1045 CA GLN A 67 8.717 3.747 7.704 1.00 1.00 C ATOM 1046 C GLN A 67 8.254 2.588 8.580 1.00 53.22 C ATOM 1047 O GLN A 67 8.227 1.438 8.141 1.00 14.43 O ATOM 1048 CB GLN A 67 10.052 4.290 8.215 1.00 1.32 C ATOM 1049 CG GLN A 67 11.151 3.244 8.260 1.00 33.24 C ATOM 1050 CD GLN A 67 12.402 3.756 8.945 1.00 74.13 C ATOM 1051 OE1 GLN A 67 12.558 3.619 10.158 1.00 2.13 O ATOM 1052 NE2 GLN A 67 13.299 4.353 8.176 1.00 5.23 N ATOM 0 H GLN A 67 7.967 5.629 8.223 1.00 72.34 H new ATOM 0 HA GLN A 67 8.852 3.381 6.686 1.00 1.00 H new ATOM 0 HB2 GLN A 67 10.370 5.113 7.575 1.00 1.32 H new ATOM 0 HB3 GLN A 67 9.910 4.700 9.215 1.00 1.32 H new ATOM 0 HG2 GLN A 67 10.788 2.360 8.785 1.00 33.24 H new ATOM 0 HG3 GLN A 67 11.396 2.934 7.244 1.00 33.24 H new ATOM 0 HE21 GLN A 67 13.131 4.446 7.174 1.00 5.23 H new ATOM 0 HE22 GLN A 67 14.158 4.720 8.585 1.00 5.23 H new ATOM 1061 N VAL A 68 7.866 2.896 9.816 1.00 3.01 N ATOM 1062 CA VAL A 68 7.437 1.866 10.755 1.00 1.00 C ATOM 1063 C VAL A 68 6.108 1.246 10.324 1.00 74.55 C ATOM 1064 O VAL A 68 5.752 0.151 10.763 1.00 32.41 O ATOM 1065 CB VAL A 68 7.317 2.401 12.199 1.00 51.13 C ATOM 1066 CG1 VAL A 68 8.669 2.878 12.706 1.00 43.02 C ATOM 1067 CG2 VAL A 68 6.284 3.514 12.296 1.00 24.44 C ATOM 0 H VAL A 68 7.840 3.846 10.188 1.00 3.01 H new ATOM 0 HA VAL A 68 8.211 1.099 10.744 1.00 1.00 H new ATOM 0 HB VAL A 68 6.979 1.580 12.831 1.00 51.13 H new ATOM 0 HG11 VAL A 68 8.564 3.251 13.725 1.00 43.02 H new ATOM 0 HG12 VAL A 68 9.375 2.048 12.694 1.00 43.02 H new ATOM 0 HG13 VAL A 68 9.038 3.677 12.063 1.00 43.02 H new ATOM 0 HG21 VAL A 68 6.225 3.867 13.326 1.00 24.44 H new ATOM 0 HG22 VAL A 68 6.575 4.339 11.646 1.00 24.44 H new ATOM 0 HG23 VAL A 68 5.310 3.135 11.987 1.00 24.44 H new ATOM 1077 N LEU A 69 5.389 1.946 9.460 1.00 61.00 N ATOM 1078 CA LEU A 69 4.139 1.438 8.921 1.00 2.50 C ATOM 1079 C LEU A 69 4.407 0.401 7.830 1.00 32.34 C ATOM 1080 O LEU A 69 3.889 -0.716 7.885 1.00 61.41 O ATOM 1081 CB LEU A 69 3.293 2.587 8.361 1.00 61.31 C ATOM 1082 CG LEU A 69 1.913 2.187 7.832 1.00 12.23 C ATOM 1083 CD1 LEU A 69 1.054 1.617 8.955 1.00 63.24 C ATOM 1084 CD2 LEU A 69 1.229 3.381 7.178 1.00 1.24 C ATOM 0 H LEU A 69 5.652 2.870 9.117 1.00 61.00 H new ATOM 0 HA LEU A 69 3.587 0.958 9.729 1.00 2.50 H new ATOM 0 HB2 LEU A 69 3.161 3.334 9.144 1.00 61.31 H new ATOM 0 HB3 LEU A 69 3.848 3.065 7.554 1.00 61.31 H new ATOM 0 HG LEU A 69 2.041 1.411 7.077 1.00 12.23 H new ATOM 0 HD11 LEU A 69 0.077 1.338 8.560 1.00 63.24 H new ATOM 0 HD12 LEU A 69 1.541 0.736 9.374 1.00 63.24 H new ATOM 0 HD13 LEU A 69 0.929 2.368 9.735 1.00 63.24 H new ATOM 0 HD21 LEU A 69 0.249 3.081 6.807 1.00 1.24 H new ATOM 0 HD22 LEU A 69 1.110 4.179 7.911 1.00 1.24 H new ATOM 0 HD23 LEU A 69 1.837 3.739 6.347 1.00 1.24 H new ATOM 1096 N VAL A 70 5.248 0.756 6.862 1.00 35.34 N ATOM 1097 CA VAL A 70 5.486 -0.114 5.712 1.00 74.02 C ATOM 1098 C VAL A 70 6.292 -1.356 6.084 1.00 5.45 C ATOM 1099 O VAL A 70 6.295 -2.340 5.348 1.00 34.33 O ATOM 1100 CB VAL A 70 6.191 0.622 4.553 1.00 4.24 C ATOM 1101 CG1 VAL A 70 5.307 1.735 4.013 1.00 75.30 C ATOM 1102 CG2 VAL A 70 7.540 1.171 4.995 1.00 72.41 C ATOM 0 H VAL A 70 5.772 1.631 6.849 1.00 35.34 H new ATOM 0 HA VAL A 70 4.497 -0.425 5.376 1.00 74.02 H new ATOM 0 HB VAL A 70 6.368 -0.096 3.753 1.00 4.24 H new ATOM 0 HG11 VAL A 70 5.820 2.243 3.196 1.00 75.30 H new ATOM 0 HG12 VAL A 70 4.372 1.312 3.646 1.00 75.30 H new ATOM 0 HG13 VAL A 70 5.095 2.449 4.808 1.00 75.30 H new ATOM 0 HG21 VAL A 70 8.015 1.685 4.159 1.00 72.41 H new ATOM 0 HG22 VAL A 70 7.396 1.872 5.817 1.00 72.41 H new ATOM 0 HG23 VAL A 70 8.176 0.350 5.325 1.00 72.41 H new ATOM 1112 N LYS A 71 6.968 -1.322 7.225 1.00 3.22 N ATOM 1113 CA LYS A 71 7.732 -2.480 7.661 1.00 40.01 C ATOM 1114 C LYS A 71 6.828 -3.492 8.358 1.00 54.10 C ATOM 1115 O LYS A 71 7.154 -4.673 8.438 1.00 70.32 O ATOM 1116 CB LYS A 71 8.916 -2.064 8.553 1.00 71.02 C ATOM 1117 CG LYS A 71 8.544 -1.288 9.808 1.00 23.15 C ATOM 1118 CD LYS A 71 8.439 -2.189 11.031 1.00 13.31 C ATOM 1119 CE LYS A 71 8.390 -1.371 12.313 1.00 14.12 C ATOM 1120 NZ LYS A 71 8.403 -2.226 13.530 1.00 55.51 N ATOM 0 H LYS A 71 7.003 -0.520 7.854 1.00 3.22 H new ATOM 0 HA LYS A 71 8.150 -2.963 6.778 1.00 40.01 H new ATOM 0 HB2 LYS A 71 9.460 -2.961 8.848 1.00 71.02 H new ATOM 0 HB3 LYS A 71 9.600 -1.457 7.960 1.00 71.02 H new ATOM 0 HG2 LYS A 71 9.291 -0.516 9.991 1.00 23.15 H new ATOM 0 HG3 LYS A 71 7.593 -0.780 9.650 1.00 23.15 H new ATOM 0 HD2 LYS A 71 7.544 -2.806 10.956 1.00 13.31 H new ATOM 0 HD3 LYS A 71 9.292 -2.867 11.061 1.00 13.31 H new ATOM 0 HE2 LYS A 71 9.242 -0.691 12.340 1.00 14.12 H new ATOM 0 HE3 LYS A 71 7.491 -0.755 12.314 1.00 14.12 H new ATOM 0 HZ1 LYS A 71 8.368 -1.624 14.377 1.00 55.51 H new ATOM 0 HZ2 LYS A 71 7.577 -2.857 13.520 1.00 55.51 H new ATOM 0 HZ3 LYS A 71 9.273 -2.795 13.545 1.00 55.51 H new ATOM 1134 N LYS A 72 5.689 -3.029 8.861 1.00 61.24 N ATOM 1135 CA LYS A 72 4.724 -3.923 9.486 1.00 44.41 C ATOM 1136 C LYS A 72 3.686 -4.420 8.483 1.00 42.21 C ATOM 1137 O LYS A 72 3.183 -5.533 8.610 1.00 30.33 O ATOM 1138 CB LYS A 72 3.999 -3.238 10.642 1.00 53.43 C ATOM 1139 CG LYS A 72 2.921 -4.120 11.251 1.00 20.33 C ATOM 1140 CD LYS A 72 1.904 -3.324 12.041 1.00 70.21 C ATOM 1141 CE LYS A 72 0.623 -4.121 12.235 1.00 53.21 C ATOM 1142 NZ LYS A 72 0.851 -5.398 12.962 1.00 35.11 N ATOM 0 H LYS A 72 5.413 -2.047 8.848 1.00 61.24 H new ATOM 0 HA LYS A 72 5.292 -4.773 9.865 1.00 44.41 H new ATOM 0 HB2 LYS A 72 4.722 -2.968 11.412 1.00 53.43 H new ATOM 0 HB3 LYS A 72 3.549 -2.311 10.287 1.00 53.43 H new ATOM 0 HG2 LYS A 72 2.413 -4.668 10.458 1.00 20.33 H new ATOM 0 HG3 LYS A 72 3.386 -4.860 11.903 1.00 20.33 H new ATOM 0 HD2 LYS A 72 2.321 -3.056 13.012 1.00 70.21 H new ATOM 0 HD3 LYS A 72 1.682 -2.392 11.521 1.00 70.21 H new ATOM 0 HE2 LYS A 72 -0.097 -3.516 12.786 1.00 53.21 H new ATOM 0 HE3 LYS A 72 0.181 -4.335 11.262 1.00 53.21 H new ATOM 0 HZ1 LYS A 72 -0.060 -5.871 13.128 1.00 35.11 H new ATOM 0 HZ2 LYS A 72 1.463 -6.017 12.393 1.00 35.11 H new ATOM 0 HZ3 LYS A 72 1.310 -5.201 13.874 1.00 35.11 H new ATOM 1156 N ILE A 73 3.376 -3.594 7.485 1.00 72.15 N ATOM 1157 CA ILE A 73 2.259 -3.856 6.569 1.00 44.41 C ATOM 1158 C ILE A 73 2.394 -5.206 5.851 1.00 53.43 C ATOM 1159 O ILE A 73 1.419 -5.731 5.314 1.00 74.13 O ATOM 1160 CB ILE A 73 2.105 -2.720 5.524 1.00 21.52 C ATOM 1161 CG1 ILE A 73 0.758 -2.833 4.801 1.00 71.43 C ATOM 1162 CG2 ILE A 73 3.250 -2.749 4.521 1.00 24.44 C ATOM 1163 CD1 ILE A 73 0.499 -1.725 3.802 1.00 62.44 C ATOM 0 H ILE A 73 3.884 -2.732 7.287 1.00 72.15 H new ATOM 0 HA ILE A 73 1.363 -3.893 7.188 1.00 44.41 H new ATOM 0 HB ILE A 73 2.137 -1.767 6.052 1.00 21.52 H new ATOM 0 HG12 ILE A 73 0.714 -3.792 4.284 1.00 71.43 H new ATOM 0 HG13 ILE A 73 -0.041 -2.834 5.542 1.00 71.43 H new ATOM 0 HG21 ILE A 73 3.121 -1.944 3.798 1.00 24.44 H new ATOM 0 HG22 ILE A 73 4.196 -2.618 5.045 1.00 24.44 H new ATOM 0 HG23 ILE A 73 3.254 -3.707 4.000 1.00 24.44 H new ATOM 0 HD11 ILE A 73 -0.473 -1.877 3.334 1.00 62.44 H new ATOM 0 HD12 ILE A 73 0.508 -0.763 4.315 1.00 62.44 H new ATOM 0 HD13 ILE A 73 1.276 -1.736 3.037 1.00 62.44 H new ATOM 1175 N SER A 74 3.594 -5.771 5.861 1.00 34.01 N ATOM 1176 CA SER A 74 3.829 -7.066 5.241 1.00 43.21 C ATOM 1177 C SER A 74 3.161 -8.188 6.041 1.00 11.53 C ATOM 1178 O SER A 74 2.882 -9.255 5.491 1.00 15.41 O ATOM 1179 CB SER A 74 5.332 -7.328 5.121 1.00 1.21 C ATOM 1180 OG SER A 74 5.592 -8.545 4.441 1.00 25.53 O ATOM 0 H SER A 74 4.419 -5.352 6.292 1.00 34.01 H new ATOM 0 HA SER A 74 3.389 -7.050 4.244 1.00 43.21 H new ATOM 0 HB2 SER A 74 5.805 -6.503 4.588 1.00 1.21 H new ATOM 0 HB3 SER A 74 5.777 -7.363 6.115 1.00 1.21 H new ATOM 0 HG SER A 74 6.560 -8.684 4.378 1.00 25.53 H new ATOM 1186 N GLN A 75 2.900 -7.929 7.327 1.00 43.45 N ATOM 1187 CA GLN A 75 2.302 -8.914 8.231 1.00 21.14 C ATOM 1188 C GLN A 75 3.202 -10.136 8.388 1.00 23.11 C ATOM 1189 O GLN A 75 3.056 -11.097 7.605 1.00 54.44 O ATOM 1190 CB GLN A 75 0.907 -9.341 7.755 1.00 12.15 C ATOM 1191 CG GLN A 75 -0.100 -8.199 7.664 1.00 31.44 C ATOM 1192 CD GLN A 75 -0.393 -7.549 9.007 1.00 14.15 C ATOM 1193 OE1 GLN A 75 0.462 -7.491 9.891 1.00 55.33 O ATOM 1194 NE2 GLN A 75 -1.611 -7.066 9.175 1.00 41.41 N ATOM 0 H GLN A 75 3.098 -7.031 7.769 1.00 43.45 H new ATOM 0 HA GLN A 75 2.197 -8.434 9.204 1.00 21.14 H new ATOM 0 HB2 GLN A 75 0.998 -9.809 6.775 1.00 12.15 H new ATOM 0 HB3 GLN A 75 0.519 -10.099 8.436 1.00 12.15 H new ATOM 0 HG2 GLN A 75 0.280 -7.443 6.977 1.00 31.44 H new ATOM 0 HG3 GLN A 75 -1.030 -8.577 7.240 1.00 31.44 H new ATOM 0 HE21 GLN A 75 -2.294 -7.131 8.420 1.00 41.41 H new ATOM 0 HE22 GLN A 75 -1.868 -6.628 10.059 1.00 41.41 H new TER 1203 GLN A 75