USER MOD reduce.3.24.130724 H: found=0, std=0, add=466, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 466 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 2 ASN : amide:sc= 1.67 K(o=2.8,f=0.77) USER MOD Set 1.2: A 11 THR OG1 : rot -108:sc= 1.1 USER MOD Single : A 1 MET CE :methyl -138:sc= -1.61 (180deg=-3.41!) USER MOD Single : A 1 MET N :NH3+ 142:sc= 1.39 (180deg=-1.42!) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 ASN : amide:sc= -0.59 X(o=-0.59,f=-0.55) USER MOD Single : A 8 LYS NZ :NH3+ -144:sc= -0.258 (180deg=-1.37) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 25:sc= 0.0786 USER MOD Single : A 19 ASN : amide:sc= -1.25 K(o=-1.3,f=-6.9!) USER MOD Single : A 21 THR OG1 : rot -149:sc= 0.0297 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -137:sc= -1.89 (180deg=-4.62!) USER MOD Single : A 31 GLN :FLIP amide:sc= 0.996 F(o=-0.046,f=1) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 ASN :FLIP amide:sc= -1.42 F(o=-5.8!,f=-1.4) USER MOD Single : A 52 THR OG1 : rot 75:sc= 0.685 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -110:sc= 1.03 (180deg=-1.17) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.058 -11.650 -2.452 1.00 24.44 N ATOM 2 CA MET A 1 -2.339 -11.309 -1.191 1.00 4.45 C ATOM 3 C MET A 1 -2.784 -9.944 -0.637 1.00 62.31 C ATOM 4 O MET A 1 -3.314 -9.109 -1.369 1.00 10.34 O ATOM 5 CB MET A 1 -0.824 -11.320 -1.431 1.00 0.20 C ATOM 6 CG MET A 1 -0.356 -10.360 -2.516 1.00 35.13 C ATOM 7 SD MET A 1 1.411 -10.501 -2.834 1.00 15.41 S ATOM 8 CE MET A 1 1.626 -9.280 -4.124 1.00 44.33 C ATOM 0 H1 MET A 1 -2.404 -12.125 -3.107 1.00 24.44 H new ATOM 0 H2 MET A 1 -3.854 -12.284 -2.237 1.00 24.44 H new ATOM 0 H3 MET A 1 -3.418 -10.779 -2.893 1.00 24.44 H new ATOM 0 HA MET A 1 -2.590 -12.064 -0.446 1.00 4.45 H new ATOM 0 HB2 MET A 1 -0.318 -11.071 -0.498 1.00 0.20 H new ATOM 0 HB3 MET A 1 -0.517 -12.331 -1.699 1.00 0.20 H new ATOM 0 HG2 MET A 1 -0.906 -10.558 -3.436 1.00 35.13 H new ATOM 0 HG3 MET A 1 -0.589 -9.337 -2.219 1.00 35.13 H new ATOM 0 HE1 MET A 1 2.291 -9.675 -4.892 1.00 44.33 H new ATOM 0 HE2 MET A 1 0.658 -9.045 -4.568 1.00 44.33 H new ATOM 0 HE3 MET A 1 2.060 -8.375 -3.699 1.00 44.33 H new ATOM 20 N ASN A 2 -2.570 -9.733 0.661 1.00 71.34 N ATOM 21 CA ASN A 2 -2.931 -8.473 1.324 1.00 71.20 C ATOM 22 C ASN A 2 -1.800 -7.441 1.192 1.00 71.11 C ATOM 23 O ASN A 2 -0.652 -7.730 1.519 1.00 21.01 O ATOM 24 CB ASN A 2 -3.226 -8.726 2.810 1.00 34.14 C ATOM 25 CG ASN A 2 -4.372 -9.699 3.016 1.00 62.34 C ATOM 26 OD1 ASN A 2 -5.525 -9.302 3.146 1.00 13.21 O ATOM 27 ND2 ASN A 2 -4.067 -10.979 3.052 1.00 72.20 N ATOM 0 H ASN A 2 -2.145 -10.422 1.282 1.00 71.34 H new ATOM 0 HA ASN A 2 -3.823 -8.077 0.838 1.00 71.20 H new ATOM 0 HB2 ASN A 2 -2.331 -9.116 3.294 1.00 34.14 H new ATOM 0 HB3 ASN A 2 -3.465 -7.780 3.296 1.00 34.14 H new ATOM 0 HD21 ASN A 2 -4.800 -11.674 3.191 1.00 72.20 H new ATOM 0 HD22 ASN A 2 -3.097 -11.276 2.940 1.00 72.20 H new ATOM 34 N LEU A 3 -2.125 -6.246 0.705 1.00 20.34 N ATOM 35 CA LEU A 3 -1.138 -5.161 0.585 1.00 72.33 C ATOM 36 C LEU A 3 -1.701 -3.839 1.126 1.00 72.01 C ATOM 37 O LEU A 3 -2.864 -3.758 1.525 1.00 53.05 O ATOM 38 CB LEU A 3 -0.698 -4.976 -0.878 1.00 13.32 C ATOM 39 CG LEU A 3 0.014 -6.177 -1.524 1.00 75.43 C ATOM 40 CD1 LEU A 3 0.384 -5.871 -2.973 1.00 32.25 C ATOM 41 CD2 LEU A 3 1.256 -6.566 -0.726 1.00 41.51 C ATOM 0 H LEU A 3 -3.062 -5.999 0.386 1.00 20.34 H new ATOM 0 HA LEU A 3 -0.270 -5.443 1.182 1.00 72.33 H new ATOM 0 HB2 LEU A 3 -1.579 -4.737 -1.474 1.00 13.32 H new ATOM 0 HB3 LEU A 3 -0.034 -4.113 -0.931 1.00 13.32 H new ATOM 0 HG LEU A 3 -0.675 -7.021 -1.516 1.00 75.43 H new ATOM 0 HD11 LEU A 3 0.886 -6.734 -3.410 1.00 32.25 H new ATOM 0 HD12 LEU A 3 -0.520 -5.651 -3.541 1.00 32.25 H new ATOM 0 HD13 LEU A 3 1.050 -5.009 -3.004 1.00 32.25 H new ATOM 0 HD21 LEU A 3 1.742 -7.417 -1.202 1.00 41.51 H new ATOM 0 HD22 LEU A 3 1.947 -5.724 -0.695 1.00 41.51 H new ATOM 0 HD23 LEU A 3 0.966 -6.835 0.290 1.00 41.51 H new ATOM 53 N THR A 4 -0.866 -2.805 1.144 1.00 71.21 N ATOM 54 CA THR A 4 -1.283 -1.476 1.616 1.00 54.24 C ATOM 55 C THR A 4 -0.672 -0.365 0.754 1.00 63.13 C ATOM 56 O THR A 4 0.526 -0.370 0.477 1.00 73.33 O ATOM 57 CB THR A 4 -0.883 -1.251 3.095 1.00 50.12 C ATOM 58 OG1 THR A 4 -1.448 -2.281 3.922 1.00 3.12 O ATOM 59 CG2 THR A 4 -1.352 0.107 3.603 1.00 12.25 C ATOM 0 H THR A 4 0.106 -2.855 0.838 1.00 71.21 H new ATOM 0 HA THR A 4 -2.369 -1.437 1.533 1.00 54.24 H new ATOM 0 HB THR A 4 0.205 -1.284 3.147 1.00 50.12 H new ATOM 0 HG1 THR A 4 -1.188 -2.131 4.855 1.00 3.12 H new ATOM 0 HG21 THR A 4 -1.053 0.229 4.644 1.00 12.25 H new ATOM 0 HG22 THR A 4 -0.901 0.896 3.001 1.00 12.25 H new ATOM 0 HG23 THR A 4 -2.438 0.169 3.528 1.00 12.25 H new ATOM 67 N VAL A 5 -1.499 0.590 0.332 1.00 10.34 N ATOM 68 CA VAL A 5 -1.038 1.701 -0.511 1.00 22.24 C ATOM 69 C VAL A 5 -1.287 3.059 0.166 1.00 44.14 C ATOM 70 O VAL A 5 -2.419 3.394 0.503 1.00 54.31 O ATOM 71 CB VAL A 5 -1.728 1.668 -1.905 1.00 32.44 C ATOM 72 CG1 VAL A 5 -3.252 1.662 -1.769 1.00 42.04 C ATOM 73 CG2 VAL A 5 -1.262 2.837 -2.776 1.00 11.11 C ATOM 0 H VAL A 5 -2.493 0.620 0.558 1.00 10.34 H new ATOM 0 HA VAL A 5 0.036 1.578 -0.649 1.00 22.24 H new ATOM 0 HB VAL A 5 -1.434 0.742 -2.398 1.00 32.44 H new ATOM 0 HG11 VAL A 5 -3.706 1.639 -2.760 1.00 42.04 H new ATOM 0 HG12 VAL A 5 -3.564 0.782 -1.207 1.00 42.04 H new ATOM 0 HG13 VAL A 5 -3.574 2.561 -1.244 1.00 42.04 H new ATOM 0 HG21 VAL A 5 -1.760 2.790 -3.745 1.00 11.11 H new ATOM 0 HG22 VAL A 5 -1.511 3.778 -2.285 1.00 11.11 H new ATOM 0 HG23 VAL A 5 -0.183 2.777 -2.919 1.00 11.11 H new ATOM 83 N ASN A 6 -0.214 3.829 0.383 1.00 72.44 N ATOM 84 CA ASN A 6 -0.306 5.162 1.016 1.00 21.23 C ATOM 85 C ASN A 6 -0.769 5.074 2.482 1.00 21.32 C ATOM 86 O ASN A 6 -1.124 6.087 3.089 1.00 55.11 O ATOM 87 CB ASN A 6 -1.274 6.063 0.231 1.00 43.43 C ATOM 88 CG ASN A 6 -0.873 6.242 -1.220 1.00 44.24 C ATOM 89 OD1 ASN A 6 -1.718 6.313 -2.106 1.00 73.20 O ATOM 90 ND2 ASN A 6 0.412 6.340 -1.478 1.00 40.40 N ATOM 0 H ASN A 6 0.735 3.555 0.130 1.00 72.44 H new ATOM 0 HA ASN A 6 0.695 5.592 1.000 1.00 21.23 H new ATOM 0 HB2 ASN A 6 -2.276 5.636 0.275 1.00 43.43 H new ATOM 0 HB3 ASN A 6 -1.323 7.040 0.712 1.00 43.43 H new ATOM 0 HD21 ASN A 6 0.730 6.479 -2.437 1.00 40.40 H new ATOM 0 HD22 ASN A 6 1.091 6.277 -0.719 1.00 40.40 H new ATOM 97 N GLY A 7 -0.732 3.873 3.053 1.00 42.32 N ATOM 98 CA GLY A 7 -1.296 3.648 4.385 1.00 4.35 C ATOM 99 C GLY A 7 -2.750 3.179 4.322 1.00 13.24 C ATOM 100 O GLY A 7 -3.371 2.890 5.344 1.00 44.11 O ATOM 0 H GLY A 7 -0.322 3.046 2.620 1.00 42.32 H new ATOM 0 HA2 GLY A 7 -0.698 2.904 4.910 1.00 4.35 H new ATOM 0 HA3 GLY A 7 -1.238 4.570 4.963 1.00 4.35 H new ATOM 104 N LYS A 8 -3.280 3.099 3.104 1.00 11.31 N ATOM 105 CA LYS A 8 -4.661 2.673 2.851 1.00 53.23 C ATOM 106 C LYS A 8 -4.708 1.180 2.466 1.00 14.02 C ATOM 107 O LYS A 8 -4.229 0.791 1.395 1.00 30.34 O ATOM 108 CB LYS A 8 -5.252 3.551 1.730 1.00 70.22 C ATOM 109 CG LYS A 8 -5.265 5.042 2.082 1.00 61.54 C ATOM 110 CD LYS A 8 -5.271 5.961 0.853 1.00 33.12 C ATOM 111 CE LYS A 8 -6.538 5.835 0.007 1.00 10.11 C ATOM 112 NZ LYS A 8 -6.520 4.639 -0.875 1.00 54.21 N ATOM 0 H LYS A 8 -2.762 3.329 2.256 1.00 11.31 H new ATOM 0 HA LYS A 8 -5.255 2.795 3.757 1.00 53.23 H new ATOM 0 HB2 LYS A 8 -4.674 3.404 0.818 1.00 70.22 H new ATOM 0 HB3 LYS A 8 -6.270 3.224 1.519 1.00 70.22 H new ATOM 0 HG2 LYS A 8 -6.144 5.256 2.690 1.00 61.54 H new ATOM 0 HG3 LYS A 8 -4.392 5.271 2.693 1.00 61.54 H new ATOM 0 HD2 LYS A 8 -5.163 6.995 1.181 1.00 33.12 H new ATOM 0 HD3 LYS A 8 -4.405 5.732 0.233 1.00 33.12 H new ATOM 0 HE2 LYS A 8 -7.406 5.784 0.665 1.00 10.11 H new ATOM 0 HE3 LYS A 8 -6.653 6.730 -0.604 1.00 10.11 H new ATOM 0 HZ1 LYS A 8 -6.984 4.866 -1.777 1.00 54.21 H new ATOM 0 HZ2 LYS A 8 -5.536 4.354 -1.054 1.00 54.21 H new ATOM 0 HZ3 LYS A 8 -7.027 3.858 -0.412 1.00 54.21 H new ATOM 126 N PRO A 9 -5.262 0.320 3.349 1.00 31.21 N ATOM 127 CA PRO A 9 -5.297 -1.147 3.140 1.00 1.22 C ATOM 128 C PRO A 9 -5.984 -1.570 1.827 1.00 1.43 C ATOM 129 O PRO A 9 -7.145 -1.233 1.582 1.00 55.22 O ATOM 130 CB PRO A 9 -6.092 -1.663 4.352 1.00 14.30 C ATOM 131 CG PRO A 9 -5.941 -0.599 5.386 1.00 74.24 C ATOM 132 CD PRO A 9 -5.897 0.700 4.628 1.00 24.03 C ATOM 0 HA PRO A 9 -4.289 -1.555 3.058 1.00 1.22 H new ATOM 0 HB2 PRO A 9 -7.140 -1.823 4.099 1.00 14.30 H new ATOM 0 HB3 PRO A 9 -5.700 -2.617 4.705 1.00 14.30 H new ATOM 0 HG2 PRO A 9 -6.774 -0.615 6.089 1.00 74.24 H new ATOM 0 HG3 PRO A 9 -5.031 -0.744 5.968 1.00 74.24 H new ATOM 0 HD2 PRO A 9 -6.895 1.112 4.476 1.00 24.03 H new ATOM 0 HD3 PRO A 9 -5.317 1.456 5.157 1.00 24.03 H new ATOM 140 N SER A 10 -5.260 -2.321 0.994 1.00 44.21 N ATOM 141 CA SER A 10 -5.802 -2.828 -0.280 1.00 32.24 C ATOM 142 C SER A 10 -5.417 -4.299 -0.505 1.00 31.13 C ATOM 143 O SER A 10 -4.291 -4.612 -0.902 1.00 75.31 O ATOM 144 CB SER A 10 -5.312 -1.976 -1.464 1.00 43.55 C ATOM 145 OG SER A 10 -5.826 -0.652 -1.401 1.00 54.12 O ATOM 0 H SER A 10 -4.294 -2.595 1.175 1.00 44.21 H new ATOM 0 HA SER A 10 -6.888 -2.759 -0.220 1.00 32.24 H new ATOM 0 HB2 SER A 10 -4.222 -1.945 -1.465 1.00 43.55 H new ATOM 0 HB3 SER A 10 -5.618 -2.442 -2.400 1.00 43.55 H new ATOM 0 HG SER A 10 -5.495 -0.136 -2.166 1.00 54.12 H new ATOM 151 N THR A 11 -6.352 -5.205 -0.238 1.00 12.32 N ATOM 152 CA THR A 11 -6.110 -6.643 -0.418 1.00 0.00 C ATOM 153 C THR A 11 -6.265 -7.064 -1.885 1.00 40.23 C ATOM 154 O THR A 11 -7.374 -7.316 -2.360 1.00 71.24 O ATOM 155 CB THR A 11 -7.059 -7.506 0.459 1.00 75.42 C ATOM 156 OG1 THR A 11 -6.849 -7.209 1.849 1.00 22.11 O ATOM 157 CG2 THR A 11 -6.838 -9.001 0.223 1.00 0.41 C ATOM 0 H THR A 11 -7.285 -4.975 0.104 1.00 12.32 H new ATOM 0 HA THR A 11 -5.082 -6.818 -0.102 1.00 0.00 H new ATOM 0 HB THR A 11 -8.083 -7.261 0.176 1.00 75.42 H new ATOM 0 HG1 THR A 11 -6.386 -7.959 2.277 1.00 22.11 H new ATOM 0 HG21 THR A 11 -7.519 -9.573 0.853 1.00 0.41 H new ATOM 0 HG22 THR A 11 -7.028 -9.236 -0.824 1.00 0.41 H new ATOM 0 HG23 THR A 11 -5.809 -9.260 0.472 1.00 0.41 H new ATOM 165 N VAL A 12 -5.152 -7.120 -2.609 1.00 65.51 N ATOM 166 CA VAL A 12 -5.159 -7.639 -3.979 1.00 53.22 C ATOM 167 C VAL A 12 -5.103 -9.179 -3.972 1.00 24.30 C ATOM 168 O VAL A 12 -4.045 -9.796 -4.137 1.00 64.33 O ATOM 169 CB VAL A 12 -4.000 -7.049 -4.831 1.00 14.15 C ATOM 170 CG1 VAL A 12 -4.234 -5.561 -5.098 1.00 43.50 C ATOM 171 CG2 VAL A 12 -2.650 -7.263 -4.146 1.00 42.30 C ATOM 0 H VAL A 12 -4.237 -6.815 -2.276 1.00 65.51 H new ATOM 0 HA VAL A 12 -6.093 -7.324 -4.444 1.00 53.22 H new ATOM 0 HB VAL A 12 -3.982 -7.575 -5.785 1.00 14.15 H new ATOM 0 HG11 VAL A 12 -3.413 -5.165 -5.696 1.00 43.50 H new ATOM 0 HG12 VAL A 12 -5.172 -5.431 -5.639 1.00 43.50 H new ATOM 0 HG13 VAL A 12 -4.284 -5.025 -4.150 1.00 43.50 H new ATOM 0 HG21 VAL A 12 -1.858 -6.841 -4.764 1.00 42.30 H new ATOM 0 HG22 VAL A 12 -2.653 -6.771 -3.174 1.00 42.30 H new ATOM 0 HG23 VAL A 12 -2.475 -8.330 -4.012 1.00 42.30 H new ATOM 181 N ASP A 13 -6.255 -9.803 -3.731 1.00 32.21 N ATOM 182 CA ASP A 13 -6.328 -11.259 -3.626 1.00 43.23 C ATOM 183 C ASP A 13 -6.417 -11.912 -5.015 1.00 12.12 C ATOM 184 O ASP A 13 -6.606 -11.229 -6.024 1.00 2.40 O ATOM 185 CB ASP A 13 -7.512 -11.670 -2.745 1.00 22.31 C ATOM 186 CG ASP A 13 -7.173 -12.867 -1.878 1.00 40.52 C ATOM 187 OD1 ASP A 13 -7.363 -14.015 -2.328 1.00 35.32 O ATOM 188 OD2 ASP A 13 -6.679 -12.665 -0.750 1.00 73.11 O ATOM 0 H ASP A 13 -7.147 -9.325 -3.605 1.00 32.21 H new ATOM 0 HA ASP A 13 -5.411 -11.615 -3.156 1.00 43.23 H new ATOM 0 HB2 ASP A 13 -7.803 -10.832 -2.112 1.00 22.31 H new ATOM 0 HB3 ASP A 13 -8.370 -11.907 -3.374 1.00 22.31 H new ATOM 193 N GLY A 14 -6.296 -13.237 -5.061 1.00 23.42 N ATOM 194 CA GLY A 14 -6.130 -13.924 -6.339 1.00 75.41 C ATOM 195 C GLY A 14 -4.715 -13.754 -6.887 1.00 33.33 C ATOM 196 O GLY A 14 -4.485 -13.835 -8.092 1.00 43.11 O ATOM 0 H GLY A 14 -6.309 -13.847 -4.244 1.00 23.42 H new ATOM 0 HA2 GLY A 14 -6.348 -14.985 -6.214 1.00 75.41 H new ATOM 0 HA3 GLY A 14 -6.849 -13.534 -7.059 1.00 75.41 H new ATOM 200 N ALA A 15 -3.767 -13.518 -5.982 1.00 55.03 N ATOM 201 CA ALA A 15 -2.368 -13.283 -6.344 1.00 61.03 C ATOM 202 C ALA A 15 -1.427 -13.828 -5.258 1.00 63.34 C ATOM 203 O ALA A 15 -1.528 -13.443 -4.088 1.00 50.13 O ATOM 204 CB ALA A 15 -2.121 -11.792 -6.568 1.00 51.20 C ATOM 0 H ALA A 15 -3.945 -13.484 -4.978 1.00 55.03 H new ATOM 0 HA ALA A 15 -2.159 -13.813 -7.273 1.00 61.03 H new ATOM 0 HB1 ALA A 15 -1.077 -11.632 -6.836 1.00 51.20 H new ATOM 0 HB2 ALA A 15 -2.762 -11.434 -7.374 1.00 51.20 H new ATOM 0 HB3 ALA A 15 -2.348 -11.244 -5.654 1.00 51.20 H new ATOM 210 N GLU A 16 -0.521 -14.721 -5.656 1.00 72.33 N ATOM 211 CA GLU A 16 0.401 -15.383 -4.719 1.00 64.25 C ATOM 212 C GLU A 16 1.520 -14.434 -4.252 1.00 23.43 C ATOM 213 O GLU A 16 1.581 -14.044 -3.083 1.00 45.25 O ATOM 214 CB GLU A 16 1.030 -16.613 -5.393 1.00 72.30 C ATOM 215 CG GLU A 16 0.026 -17.535 -6.083 1.00 20.33 C ATOM 216 CD GLU A 16 -0.997 -18.131 -5.130 1.00 71.42 C ATOM 217 OE1 GLU A 16 -0.671 -19.122 -4.445 1.00 4.41 O ATOM 218 OE2 GLU A 16 -2.134 -17.621 -5.072 1.00 2.14 O ATOM 0 H GLU A 16 -0.402 -15.008 -6.628 1.00 72.33 H new ATOM 0 HA GLU A 16 -0.176 -15.684 -3.845 1.00 64.25 H new ATOM 0 HB2 GLU A 16 1.761 -16.276 -6.128 1.00 72.30 H new ATOM 0 HB3 GLU A 16 1.574 -17.185 -4.642 1.00 72.30 H new ATOM 0 HG2 GLU A 16 -0.495 -16.976 -6.861 1.00 20.33 H new ATOM 0 HG3 GLU A 16 0.565 -18.343 -6.577 1.00 20.33 H new ATOM 225 N SER A 17 2.404 -14.093 -5.184 1.00 25.01 N ATOM 226 CA SER A 17 3.529 -13.182 -4.935 1.00 11.32 C ATOM 227 C SER A 17 4.144 -12.764 -6.269 1.00 71.41 C ATOM 228 O SER A 17 4.392 -13.611 -7.127 1.00 32.01 O ATOM 229 CB SER A 17 4.598 -13.850 -4.058 1.00 4.43 C ATOM 230 OG SER A 17 5.120 -15.018 -4.676 1.00 61.20 O ATOM 0 H SER A 17 2.365 -14.441 -6.142 1.00 25.01 H new ATOM 0 HA SER A 17 3.156 -12.305 -4.406 1.00 11.32 H new ATOM 0 HB2 SER A 17 5.407 -13.145 -3.867 1.00 4.43 H new ATOM 0 HB3 SER A 17 4.167 -14.110 -3.091 1.00 4.43 H new ATOM 0 HG SER A 17 5.005 -14.954 -5.647 1.00 61.20 H new ATOM 236 N LEU A 18 4.393 -11.473 -6.454 1.00 2.25 N ATOM 237 CA LEU A 18 4.807 -10.965 -7.768 1.00 64.25 C ATOM 238 C LEU A 18 5.715 -9.729 -7.676 1.00 13.32 C ATOM 239 O LEU A 18 5.788 -9.072 -6.642 1.00 73.40 O ATOM 240 CB LEU A 18 3.556 -10.665 -8.620 1.00 63.25 C ATOM 241 CG LEU A 18 2.401 -9.924 -7.905 1.00 52.11 C ATOM 242 CD1 LEU A 18 2.805 -8.511 -7.493 1.00 23.00 C ATOM 243 CD2 LEU A 18 1.155 -9.884 -8.789 1.00 41.11 C ATOM 0 H LEU A 18 4.319 -10.763 -5.726 1.00 2.25 H new ATOM 0 HA LEU A 18 5.404 -11.741 -8.247 1.00 64.25 H new ATOM 0 HB2 LEU A 18 3.863 -10.071 -9.481 1.00 63.25 H new ATOM 0 HB3 LEU A 18 3.170 -11.609 -9.005 1.00 63.25 H new ATOM 0 HG LEU A 18 2.170 -10.481 -6.997 1.00 52.11 H new ATOM 0 HD11 LEU A 18 1.967 -8.024 -6.994 1.00 23.00 H new ATOM 0 HD12 LEU A 18 3.654 -8.560 -6.812 1.00 23.00 H new ATOM 0 HD13 LEU A 18 3.082 -7.939 -8.378 1.00 23.00 H new ATOM 0 HD21 LEU A 18 0.355 -9.359 -8.267 1.00 41.11 H new ATOM 0 HD22 LEU A 18 1.385 -9.363 -9.719 1.00 41.11 H new ATOM 0 HD23 LEU A 18 0.835 -10.902 -9.013 1.00 41.11 H new ATOM 255 N ASN A 19 6.403 -9.427 -8.773 1.00 2.41 N ATOM 256 CA ASN A 19 7.280 -8.248 -8.860 1.00 1.24 C ATOM 257 C ASN A 19 6.472 -6.946 -8.729 1.00 25.52 C ATOM 258 O ASN A 19 5.264 -6.933 -8.973 1.00 21.43 O ATOM 259 CB ASN A 19 8.021 -8.234 -10.207 1.00 43.33 C ATOM 260 CG ASN A 19 8.664 -9.563 -10.557 1.00 11.21 C ATOM 261 OD1 ASN A 19 8.239 -10.622 -10.108 1.00 1.31 O ATOM 262 ND2 ASN A 19 9.675 -9.520 -11.394 1.00 0.20 N ATOM 0 H ASN A 19 6.374 -9.985 -9.626 1.00 2.41 H new ATOM 0 HA ASN A 19 7.996 -8.309 -8.040 1.00 1.24 H new ATOM 0 HB2 ASN A 19 7.320 -7.959 -10.995 1.00 43.33 H new ATOM 0 HB3 ASN A 19 8.790 -7.462 -10.182 1.00 43.33 H new ATOM 0 HD21 ASN A 19 10.130 -10.384 -11.689 1.00 0.20 H new ATOM 0 HD22 ASN A 19 10.005 -8.623 -11.750 1.00 0.20 H new ATOM 269 N VAL A 20 7.138 -5.848 -8.365 1.00 50.31 N ATOM 270 CA VAL A 20 6.477 -4.537 -8.333 1.00 72.53 C ATOM 271 C VAL A 20 5.890 -4.196 -9.714 1.00 21.45 C ATOM 272 O VAL A 20 4.760 -3.723 -9.823 1.00 43.04 O ATOM 273 CB VAL A 20 7.446 -3.406 -7.900 1.00 55.31 C ATOM 274 CG1 VAL A 20 6.714 -2.067 -7.820 1.00 72.44 C ATOM 275 CG2 VAL A 20 8.113 -3.742 -6.568 1.00 53.54 C ATOM 0 H VAL A 20 8.121 -5.837 -8.091 1.00 50.31 H new ATOM 0 HA VAL A 20 5.678 -4.604 -7.595 1.00 72.53 H new ATOM 0 HB VAL A 20 8.227 -3.321 -8.656 1.00 55.31 H new ATOM 0 HG11 VAL A 20 7.413 -1.288 -7.515 1.00 72.44 H new ATOM 0 HG12 VAL A 20 6.300 -1.820 -8.797 1.00 72.44 H new ATOM 0 HG13 VAL A 20 5.907 -2.137 -7.091 1.00 72.44 H new ATOM 0 HG21 VAL A 20 8.788 -2.934 -6.285 1.00 53.54 H new ATOM 0 HG22 VAL A 20 7.350 -3.863 -5.799 1.00 53.54 H new ATOM 0 HG23 VAL A 20 8.678 -4.669 -6.668 1.00 53.54 H new ATOM 285 N THR A 21 6.670 -4.454 -10.766 1.00 32.03 N ATOM 286 CA THR A 21 6.207 -4.260 -12.148 1.00 1.45 C ATOM 287 C THR A 21 4.983 -5.136 -12.458 1.00 1.34 C ATOM 288 O THR A 21 4.006 -4.666 -13.042 1.00 20.14 O ATOM 289 CB THR A 21 7.325 -4.573 -13.175 1.00 71.25 C ATOM 290 OG1 THR A 21 8.458 -3.721 -12.937 1.00 62.10 O ATOM 291 CG2 THR A 21 6.839 -4.382 -14.613 1.00 1.22 C ATOM 0 H THR A 21 7.627 -4.798 -10.690 1.00 32.03 H new ATOM 0 HA THR A 21 5.929 -3.210 -12.236 1.00 1.45 H new ATOM 0 HB THR A 21 7.610 -5.617 -13.048 1.00 71.25 H new ATOM 0 HG1 THR A 21 8.917 -3.543 -13.784 1.00 62.10 H new ATOM 0 HG21 THR A 21 7.650 -4.611 -15.305 1.00 1.22 H new ATOM 0 HG22 THR A 21 5.999 -5.050 -14.805 1.00 1.22 H new ATOM 0 HG23 THR A 21 6.521 -3.349 -14.755 1.00 1.22 H new ATOM 299 N GLU A 22 5.040 -6.410 -12.065 1.00 11.53 N ATOM 300 CA GLU A 22 3.902 -7.324 -12.239 1.00 15.14 C ATOM 301 C GLU A 22 2.660 -6.797 -11.485 1.00 14.22 C ATOM 302 O GLU A 22 1.533 -6.912 -11.962 1.00 34.22 O ATOM 303 CB GLU A 22 4.277 -8.737 -11.753 1.00 23.44 C ATOM 304 CG GLU A 22 3.799 -9.870 -12.665 1.00 2.42 C ATOM 305 CD GLU A 22 2.282 -9.964 -12.786 1.00 14.14 C ATOM 306 OE1 GLU A 22 1.657 -10.678 -11.969 1.00 54.44 O ATOM 307 OE2 GLU A 22 1.710 -9.348 -13.711 1.00 54.23 O ATOM 0 H GLU A 22 5.857 -6.834 -11.626 1.00 11.53 H new ATOM 0 HA GLU A 22 3.656 -7.376 -13.300 1.00 15.14 H new ATOM 0 HB2 GLU A 22 5.361 -8.798 -11.656 1.00 23.44 H new ATOM 0 HB3 GLU A 22 3.859 -8.888 -10.758 1.00 23.44 H new ATOM 0 HG2 GLU A 22 4.225 -9.729 -13.658 1.00 2.42 H new ATOM 0 HG3 GLU A 22 4.183 -10.817 -12.285 1.00 2.42 H new ATOM 314 N LEU A 23 2.882 -6.201 -10.313 1.00 15.31 N ATOM 315 CA LEU A 23 1.805 -5.540 -9.561 1.00 45.33 C ATOM 316 C LEU A 23 1.220 -4.374 -10.376 1.00 62.52 C ATOM 317 O LEU A 23 0.000 -4.201 -10.460 1.00 4.35 O ATOM 318 CB LEU A 23 2.331 -5.034 -8.208 1.00 35.21 C ATOM 319 CG LEU A 23 1.281 -4.393 -7.283 1.00 73.32 C ATOM 320 CD1 LEU A 23 0.186 -5.400 -6.923 1.00 23.55 C ATOM 321 CD2 LEU A 23 1.945 -3.835 -6.024 1.00 64.20 C ATOM 0 H LEU A 23 3.795 -6.160 -9.861 1.00 15.31 H new ATOM 0 HA LEU A 23 1.014 -6.267 -9.377 1.00 45.33 H new ATOM 0 HB2 LEU A 23 2.790 -5.871 -7.681 1.00 35.21 H new ATOM 0 HB3 LEU A 23 3.118 -4.304 -8.395 1.00 35.21 H new ATOM 0 HG LEU A 23 0.813 -3.566 -7.817 1.00 73.32 H new ATOM 0 HD11 LEU A 23 -0.545 -4.925 -6.269 1.00 23.55 H new ATOM 0 HD12 LEU A 23 -0.309 -5.740 -7.833 1.00 23.55 H new ATOM 0 HD13 LEU A 23 0.631 -6.253 -6.411 1.00 23.55 H new ATOM 0 HD21 LEU A 23 1.188 -3.386 -5.382 1.00 64.20 H new ATOM 0 HD22 LEU A 23 2.443 -4.642 -5.487 1.00 64.20 H new ATOM 0 HD23 LEU A 23 2.678 -3.079 -6.304 1.00 64.20 H new ATOM 333 N LEU A 24 2.106 -3.581 -10.982 1.00 65.11 N ATOM 334 CA LEU A 24 1.697 -2.505 -11.893 1.00 14.15 C ATOM 335 C LEU A 24 0.879 -3.067 -13.068 1.00 23.21 C ATOM 336 O LEU A 24 -0.041 -2.421 -13.569 1.00 30.21 O ATOM 337 CB LEU A 24 2.930 -1.762 -12.431 1.00 31.21 C ATOM 338 CG LEU A 24 3.838 -1.113 -11.371 1.00 64.51 C ATOM 339 CD1 LEU A 24 5.046 -0.455 -12.030 1.00 54.21 C ATOM 340 CD2 LEU A 24 3.061 -0.098 -10.537 1.00 42.44 C ATOM 0 H LEU A 24 3.115 -3.663 -10.859 1.00 65.11 H new ATOM 0 HA LEU A 24 1.074 -1.807 -11.333 1.00 14.15 H new ATOM 0 HB2 LEU A 24 3.528 -2.463 -13.013 1.00 31.21 H new ATOM 0 HB3 LEU A 24 2.592 -0.985 -13.117 1.00 31.21 H new ATOM 0 HG LEU A 24 4.195 -1.897 -10.703 1.00 64.51 H new ATOM 0 HD11 LEU A 24 5.676 -0.002 -11.265 1.00 54.21 H new ATOM 0 HD12 LEU A 24 5.619 -1.207 -12.573 1.00 54.21 H new ATOM 0 HD13 LEU A 24 4.708 0.314 -12.724 1.00 54.21 H new ATOM 0 HD21 LEU A 24 3.724 0.347 -9.795 1.00 42.44 H new ATOM 0 HD22 LEU A 24 2.668 0.683 -11.188 1.00 42.44 H new ATOM 0 HD23 LEU A 24 2.235 -0.598 -10.032 1.00 42.44 H new ATOM 352 N SER A 25 1.238 -4.273 -13.503 1.00 22.34 N ATOM 353 CA SER A 25 0.506 -4.986 -14.560 1.00 23.51 C ATOM 354 C SER A 25 -0.888 -5.413 -14.085 1.00 21.34 C ATOM 355 O SER A 25 -1.874 -5.264 -14.806 1.00 0.12 O ATOM 356 CB SER A 25 1.297 -6.223 -15.014 1.00 23.54 C ATOM 357 OG SER A 25 0.532 -7.043 -15.882 1.00 54.22 O ATOM 0 H SER A 25 2.040 -4.786 -13.138 1.00 22.34 H new ATOM 0 HA SER A 25 0.388 -4.301 -15.400 1.00 23.51 H new ATOM 0 HB2 SER A 25 2.208 -5.907 -15.521 1.00 23.54 H new ATOM 0 HB3 SER A 25 1.602 -6.801 -14.142 1.00 23.54 H new ATOM 0 HG SER A 25 1.065 -7.820 -16.153 1.00 54.22 H new ATOM 363 N ALA A 26 -0.964 -5.927 -12.853 1.00 64.41 N ATOM 364 CA ALA A 26 -2.228 -6.398 -12.271 1.00 54.40 C ATOM 365 C ALA A 26 -3.318 -5.312 -12.288 1.00 34.42 C ATOM 366 O ALA A 26 -4.464 -5.574 -12.660 1.00 0.32 O ATOM 367 CB ALA A 26 -1.993 -6.887 -10.843 1.00 3.35 C ATOM 0 H ALA A 26 -0.159 -6.028 -12.235 1.00 64.41 H new ATOM 0 HA ALA A 26 -2.585 -7.223 -12.887 1.00 54.40 H new ATOM 0 HB1 ALA A 26 -2.935 -7.235 -10.418 1.00 3.35 H new ATOM 0 HB2 ALA A 26 -1.275 -7.707 -10.853 1.00 3.35 H new ATOM 0 HB3 ALA A 26 -1.602 -6.069 -10.238 1.00 3.35 H new ATOM 373 N LEU A 27 -2.958 -4.096 -11.874 1.00 3.44 N ATOM 374 CA LEU A 27 -3.902 -2.963 -11.868 1.00 45.04 C ATOM 375 C LEU A 27 -3.797 -2.131 -13.157 1.00 2.45 C ATOM 376 O LEU A 27 -4.602 -1.227 -13.384 1.00 61.32 O ATOM 377 CB LEU A 27 -3.659 -2.051 -10.648 1.00 53.40 C ATOM 378 CG LEU A 27 -3.963 -2.664 -9.266 1.00 52.43 C ATOM 379 CD1 LEU A 27 -5.383 -3.233 -9.218 1.00 43.21 C ATOM 380 CD2 LEU A 27 -2.932 -3.732 -8.898 1.00 41.20 C ATOM 0 H LEU A 27 -2.023 -3.865 -11.538 1.00 3.44 H new ATOM 0 HA LEU A 27 -4.905 -3.385 -11.809 1.00 45.04 H new ATOM 0 HB2 LEU A 27 -2.616 -1.734 -10.660 1.00 53.40 H new ATOM 0 HB3 LEU A 27 -4.266 -1.153 -10.765 1.00 53.40 H new ATOM 0 HG LEU A 27 -3.896 -1.867 -8.526 1.00 52.43 H new ATOM 0 HD11 LEU A 27 -5.571 -3.659 -8.233 1.00 43.21 H new ATOM 0 HD12 LEU A 27 -6.101 -2.436 -9.412 1.00 43.21 H new ATOM 0 HD13 LEU A 27 -5.490 -4.010 -9.975 1.00 43.21 H new ATOM 0 HD21 LEU A 27 -3.171 -4.147 -7.919 1.00 41.20 H new ATOM 0 HD22 LEU A 27 -2.950 -4.527 -9.643 1.00 41.20 H new ATOM 0 HD23 LEU A 27 -1.939 -3.284 -8.869 1.00 41.20 H new ATOM 392 N LYS A 28 -2.806 -2.456 -13.991 1.00 65.11 N ATOM 393 CA LYS A 28 -2.505 -1.698 -15.219 1.00 40.51 C ATOM 394 C LYS A 28 -2.213 -0.216 -14.915 1.00 61.43 C ATOM 395 O LYS A 28 -3.114 0.626 -14.898 1.00 63.54 O ATOM 396 CB LYS A 28 -3.636 -1.837 -16.256 1.00 14.13 C ATOM 397 CG LYS A 28 -3.375 -1.078 -17.561 1.00 34.21 C ATOM 398 CD LYS A 28 -4.416 -1.382 -18.643 1.00 4.13 C ATOM 399 CE LYS A 28 -5.817 -0.885 -18.284 1.00 33.51 C ATOM 400 NZ LYS A 28 -6.445 -1.669 -17.186 1.00 2.21 N ATOM 0 H LYS A 28 -2.186 -3.252 -13.838 1.00 65.11 H new ATOM 0 HA LYS A 28 -1.602 -2.129 -15.650 1.00 40.51 H new ATOM 0 HB2 LYS A 28 -3.780 -2.893 -16.483 1.00 14.13 H new ATOM 0 HB3 LYS A 28 -4.566 -1.476 -15.816 1.00 14.13 H new ATOM 0 HG2 LYS A 28 -3.370 -0.007 -17.358 1.00 34.21 H new ATOM 0 HG3 LYS A 28 -2.384 -1.336 -17.934 1.00 34.21 H new ATOM 0 HD2 LYS A 28 -4.103 -0.921 -19.580 1.00 4.13 H new ATOM 0 HD3 LYS A 28 -4.451 -2.458 -18.813 1.00 4.13 H new ATOM 0 HE2 LYS A 28 -5.761 0.163 -17.990 1.00 33.51 H new ATOM 0 HE3 LYS A 28 -6.452 -0.934 -19.168 1.00 33.51 H new ATOM 0 HZ1 LYS A 28 -7.440 -1.858 -17.420 1.00 2.21 H new ATOM 0 HZ2 LYS A 28 -5.939 -2.570 -17.070 1.00 2.21 H new ATOM 0 HZ3 LYS A 28 -6.395 -1.127 -16.300 1.00 2.21 H new ATOM 414 N VAL A 29 -0.942 0.083 -14.653 1.00 1.13 N ATOM 415 CA VAL A 29 -0.496 1.449 -14.336 1.00 33.11 C ATOM 416 C VAL A 29 -0.401 2.326 -15.602 1.00 31.31 C ATOM 417 O VAL A 29 -0.348 1.814 -16.724 1.00 64.32 O ATOM 418 CB VAL A 29 0.886 1.416 -13.628 1.00 24.53 C ATOM 419 CG1 VAL A 29 1.978 0.945 -14.587 1.00 32.11 C ATOM 420 CG2 VAL A 29 1.238 2.775 -13.017 1.00 23.34 C ATOM 0 H VAL A 29 -0.191 -0.607 -14.653 1.00 1.13 H new ATOM 0 HA VAL A 29 -1.240 1.886 -13.670 1.00 33.11 H new ATOM 0 HB VAL A 29 0.820 0.698 -12.810 1.00 24.53 H new ATOM 0 HG11 VAL A 29 2.936 0.930 -14.068 1.00 32.11 H new ATOM 0 HG12 VAL A 29 1.742 -0.058 -14.942 1.00 32.11 H new ATOM 0 HG13 VAL A 29 2.035 1.626 -15.436 1.00 32.11 H new ATOM 0 HG21 VAL A 29 2.211 2.714 -12.530 1.00 23.34 H new ATOM 0 HG22 VAL A 29 1.272 3.529 -13.803 1.00 23.34 H new ATOM 0 HG23 VAL A 29 0.482 3.050 -12.282 1.00 23.34 H new ATOM 430 N ALA A 30 -0.385 3.648 -15.421 1.00 20.54 N ATOM 431 CA ALA A 30 -0.221 4.581 -16.542 1.00 63.41 C ATOM 432 C ALA A 30 1.237 4.630 -17.026 1.00 33.45 C ATOM 433 O ALA A 30 1.515 4.504 -18.221 1.00 31.12 O ATOM 434 CB ALA A 30 -0.695 5.976 -16.140 1.00 12.35 C ATOM 0 H ALA A 30 -0.483 4.098 -14.511 1.00 20.54 H new ATOM 0 HA ALA A 30 -0.833 4.221 -17.369 1.00 63.41 H new ATOM 0 HB1 ALA A 30 -0.568 6.659 -16.980 1.00 12.35 H new ATOM 0 HB2 ALA A 30 -1.748 5.936 -15.860 1.00 12.35 H new ATOM 0 HB3 ALA A 30 -0.108 6.330 -15.293 1.00 12.35 H new ATOM 440 N GLN A 31 2.165 4.794 -16.083 1.00 52.24 N ATOM 441 CA GLN A 31 3.596 4.928 -16.397 1.00 13.05 C ATOM 442 C GLN A 31 4.423 3.853 -15.668 1.00 23.35 C ATOM 443 O GLN A 31 4.135 3.515 -14.520 1.00 74.34 O ATOM 444 CB GLN A 31 4.071 6.335 -16.005 1.00 62.30 C ATOM 445 CG GLN A 31 3.343 7.451 -16.755 1.00 44.31 C ATOM 446 CD GLN A 31 3.573 8.824 -16.150 1.00 14.35 C ATOM 447 OE1 GLN A 31 2.710 9.215 -15.234 1.00 21.11 O flip ATOM 448 NE2 GLN A 31 4.508 9.528 -16.506 1.00 10.32 N flip ATOM 0 H GLN A 31 1.953 4.838 -15.086 1.00 52.24 H new ATOM 0 HA GLN A 31 3.740 4.784 -17.468 1.00 13.05 H new ATOM 0 HB2 GLN A 31 3.928 6.474 -14.933 1.00 62.30 H new ATOM 0 HB3 GLN A 31 5.141 6.416 -16.197 1.00 62.30 H new ATOM 0 HG2 GLN A 31 3.674 7.458 -17.794 1.00 44.31 H new ATOM 0 HG3 GLN A 31 2.274 7.238 -16.762 1.00 44.31 H new ATOM 0 HE21 GLN A 31 5.157 9.193 -17.218 1.00 10.32 H new ATOM 0 HE22 GLN A 31 4.639 10.450 -16.091 1.00 10.32 H new ATOM 457 N ALA A 32 5.453 3.327 -16.333 1.00 24.41 N ATOM 458 CA ALA A 32 6.254 2.216 -15.778 1.00 54.31 C ATOM 459 C ALA A 32 7.674 2.664 -15.400 1.00 1.10 C ATOM 460 O ALA A 32 8.224 2.250 -14.383 1.00 12.30 O ATOM 461 CB ALA A 32 6.309 1.061 -16.770 1.00 4.10 C ATOM 0 H ALA A 32 5.757 3.645 -17.253 1.00 24.41 H new ATOM 0 HA ALA A 32 5.764 1.882 -14.864 1.00 54.31 H new ATOM 0 HB1 ALA A 32 6.902 0.249 -16.350 1.00 4.10 H new ATOM 0 HB2 ALA A 32 5.298 0.706 -16.972 1.00 4.10 H new ATOM 0 HB3 ALA A 32 6.766 1.401 -17.699 1.00 4.10 H new ATOM 467 N GLU A 33 8.260 3.498 -16.240 1.00 42.21 N ATOM 468 CA GLU A 33 9.574 4.091 -15.974 1.00 33.24 C ATOM 469 C GLU A 33 9.457 5.293 -15.021 1.00 13.51 C ATOM 470 O GLU A 33 10.374 5.586 -14.253 1.00 43.33 O ATOM 471 CB GLU A 33 10.249 4.529 -17.288 1.00 41.30 C ATOM 472 CG GLU A 33 9.515 5.636 -18.051 1.00 11.32 C ATOM 473 CD GLU A 33 8.193 5.182 -18.659 1.00 65.43 C ATOM 474 OE1 GLU A 33 7.151 5.260 -17.971 1.00 3.45 O ATOM 475 OE2 GLU A 33 8.194 4.736 -19.826 1.00 70.33 O ATOM 0 H GLU A 33 7.846 3.788 -17.126 1.00 42.21 H new ATOM 0 HA GLU A 33 10.190 3.329 -15.496 1.00 33.24 H new ATOM 0 HB2 GLU A 33 11.260 4.870 -17.064 1.00 41.30 H new ATOM 0 HB3 GLU A 33 10.343 3.660 -17.939 1.00 41.30 H new ATOM 0 HG2 GLU A 33 9.327 6.470 -17.374 1.00 11.32 H new ATOM 0 HG3 GLU A 33 10.162 6.009 -18.845 1.00 11.32 H new ATOM 482 N TYR A 34 8.321 5.992 -15.079 1.00 33.21 N ATOM 483 CA TYR A 34 8.094 7.173 -14.233 1.00 73.14 C ATOM 484 C TYR A 34 7.413 6.817 -12.899 1.00 53.50 C ATOM 485 O TYR A 34 7.280 7.676 -12.026 1.00 52.42 O ATOM 486 CB TYR A 34 7.236 8.208 -14.972 1.00 72.32 C ATOM 487 CG TYR A 34 7.823 8.677 -16.289 1.00 51.23 C ATOM 488 CD1 TYR A 34 9.003 9.413 -16.328 1.00 15.13 C ATOM 489 CD2 TYR A 34 7.196 8.384 -17.494 1.00 35.23 C ATOM 490 CE1 TYR A 34 9.537 9.839 -17.530 1.00 24.35 C ATOM 491 CE2 TYR A 34 7.723 8.806 -18.697 1.00 73.05 C ATOM 492 CZ TYR A 34 8.894 9.534 -18.711 1.00 63.41 C ATOM 493 OH TYR A 34 9.424 9.959 -19.911 1.00 51.02 O ATOM 0 H TYR A 34 7.544 5.764 -15.700 1.00 33.21 H new ATOM 0 HA TYR A 34 9.076 7.590 -14.012 1.00 73.14 H new ATOM 0 HB2 TYR A 34 6.251 7.780 -15.158 1.00 72.32 H new ATOM 0 HB3 TYR A 34 7.091 9.072 -14.324 1.00 72.32 H new ATOM 0 HD1 TYR A 34 9.509 9.655 -15.405 1.00 15.13 H new ATOM 0 HD2 TYR A 34 6.278 7.815 -17.489 1.00 35.23 H new ATOM 0 HE1 TYR A 34 10.454 10.409 -17.544 1.00 24.35 H new ATOM 0 HE2 TYR A 34 7.221 8.567 -19.623 1.00 73.05 H new ATOM 0 HH TYR A 34 8.850 9.660 -20.647 1.00 51.02 H new ATOM 503 N VAL A 35 6.990 5.560 -12.739 1.00 13.14 N ATOM 504 CA VAL A 35 6.240 5.149 -11.543 1.00 42.34 C ATOM 505 C VAL A 35 7.035 5.397 -10.241 1.00 23.03 C ATOM 506 O VAL A 35 7.863 4.587 -9.816 1.00 52.41 O ATOM 507 CB VAL A 35 5.775 3.667 -11.630 1.00 51.12 C ATOM 508 CG1 VAL A 35 6.963 2.713 -11.750 1.00 45.22 C ATOM 509 CG2 VAL A 35 4.905 3.304 -10.430 1.00 2.23 C ATOM 0 H VAL A 35 7.151 4.813 -13.415 1.00 13.14 H new ATOM 0 HA VAL A 35 5.350 5.778 -11.510 1.00 42.34 H new ATOM 0 HB VAL A 35 5.176 3.560 -12.534 1.00 51.12 H new ATOM 0 HG11 VAL A 35 6.601 1.687 -11.809 1.00 45.22 H new ATOM 0 HG12 VAL A 35 7.530 2.950 -12.650 1.00 45.22 H new ATOM 0 HG13 VAL A 35 7.606 2.822 -10.877 1.00 45.22 H new ATOM 0 HG21 VAL A 35 4.590 2.263 -10.510 1.00 2.23 H new ATOM 0 HG22 VAL A 35 5.476 3.441 -9.512 1.00 2.23 H new ATOM 0 HG23 VAL A 35 4.026 3.948 -10.410 1.00 2.23 H new ATOM 519 N THR A 36 6.793 6.552 -9.627 1.00 74.33 N ATOM 520 CA THR A 36 7.432 6.900 -8.360 1.00 10.24 C ATOM 521 C THR A 36 6.661 6.309 -7.178 1.00 30.45 C ATOM 522 O THR A 36 5.706 6.905 -6.678 1.00 62.10 O ATOM 523 CB THR A 36 7.551 8.434 -8.181 1.00 63.04 C ATOM 524 OG1 THR A 36 8.274 8.998 -9.289 1.00 4.11 O ATOM 525 CG2 THR A 36 8.264 8.784 -6.877 1.00 1.44 C ATOM 0 H THR A 36 6.158 7.264 -9.987 1.00 74.33 H new ATOM 0 HA THR A 36 8.436 6.475 -8.384 1.00 10.24 H new ATOM 0 HB THR A 36 6.544 8.850 -8.145 1.00 63.04 H new ATOM 0 HG1 THR A 36 8.346 9.968 -9.173 1.00 4.11 H new ATOM 0 HG21 THR A 36 8.333 9.867 -6.779 1.00 1.44 H new ATOM 0 HG22 THR A 36 7.703 8.378 -6.035 1.00 1.44 H new ATOM 0 HG23 THR A 36 9.267 8.356 -6.884 1.00 1.44 H new ATOM 533 N VAL A 37 7.062 5.112 -6.762 1.00 24.11 N ATOM 534 CA VAL A 37 6.452 4.439 -5.612 1.00 34.04 C ATOM 535 C VAL A 37 7.510 4.060 -4.574 1.00 74.10 C ATOM 536 O VAL A 37 8.626 3.662 -4.920 1.00 12.25 O ATOM 537 CB VAL A 37 5.679 3.164 -6.036 1.00 74.31 C ATOM 538 CG1 VAL A 37 4.494 3.526 -6.920 1.00 30.34 C ATOM 539 CG2 VAL A 37 6.601 2.172 -6.746 1.00 55.51 C ATOM 0 H VAL A 37 7.812 4.582 -7.206 1.00 24.11 H new ATOM 0 HA VAL A 37 5.748 5.145 -5.173 1.00 34.04 H new ATOM 0 HB VAL A 37 5.301 2.683 -5.134 1.00 74.31 H new ATOM 0 HG11 VAL A 37 3.964 2.618 -7.207 1.00 30.34 H new ATOM 0 HG12 VAL A 37 3.818 4.183 -6.372 1.00 30.34 H new ATOM 0 HG13 VAL A 37 4.850 4.037 -7.815 1.00 30.34 H new ATOM 0 HG21 VAL A 37 6.032 1.287 -7.032 1.00 55.51 H new ATOM 0 HG22 VAL A 37 7.019 2.638 -7.638 1.00 55.51 H new ATOM 0 HG23 VAL A 37 7.409 1.882 -6.075 1.00 55.51 H new ATOM 549 N GLU A 38 7.163 4.189 -3.300 1.00 74.52 N ATOM 550 CA GLU A 38 8.088 3.844 -2.220 1.00 23.14 C ATOM 551 C GLU A 38 7.543 2.706 -1.343 1.00 73.03 C ATOM 552 O GLU A 38 6.452 2.793 -0.772 1.00 43.21 O ATOM 553 CB GLU A 38 8.437 5.093 -1.390 1.00 71.13 C ATOM 554 CG GLU A 38 7.244 5.858 -0.829 1.00 74.02 C ATOM 555 CD GLU A 38 7.653 7.205 -0.251 1.00 13.21 C ATOM 556 OE1 GLU A 38 7.823 8.162 -1.036 1.00 74.30 O ATOM 557 OE2 GLU A 38 7.832 7.312 0.982 1.00 61.11 O ATOM 0 H GLU A 38 6.253 4.528 -2.987 1.00 74.52 H new ATOM 0 HA GLU A 38 9.009 3.473 -2.670 1.00 23.14 H new ATOM 0 HB2 GLU A 38 9.076 4.790 -0.560 1.00 71.13 H new ATOM 0 HB3 GLU A 38 9.022 5.770 -2.012 1.00 71.13 H new ATOM 0 HG2 GLU A 38 6.507 6.010 -1.618 1.00 74.02 H new ATOM 0 HG3 GLU A 38 6.763 5.262 -0.054 1.00 74.02 H new ATOM 564 N LEU A 39 8.316 1.626 -1.257 1.00 53.01 N ATOM 565 CA LEU A 39 7.932 0.437 -0.492 1.00 43.01 C ATOM 566 C LEU A 39 8.236 0.654 1.000 1.00 24.04 C ATOM 567 O LEU A 39 9.398 0.663 1.406 1.00 13.22 O ATOM 568 CB LEU A 39 8.696 -0.788 -1.042 1.00 73.31 C ATOM 569 CG LEU A 39 8.120 -2.187 -0.730 1.00 70.12 C ATOM 570 CD1 LEU A 39 8.229 -2.531 0.751 1.00 33.53 C ATOM 571 CD2 LEU A 39 6.673 -2.291 -1.209 1.00 11.31 C ATOM 0 H LEU A 39 9.225 1.548 -1.714 1.00 53.01 H new ATOM 0 HA LEU A 39 6.862 0.258 -0.595 1.00 43.01 H new ATOM 0 HB2 LEU A 39 8.761 -0.685 -2.125 1.00 73.31 H new ATOM 0 HB3 LEU A 39 9.715 -0.750 -0.656 1.00 73.31 H new ATOM 0 HG LEU A 39 8.720 -2.917 -1.274 1.00 70.12 H new ATOM 0 HD11 LEU A 39 7.812 -3.523 0.926 1.00 33.53 H new ATOM 0 HD12 LEU A 39 9.277 -2.520 1.051 1.00 33.53 H new ATOM 0 HD13 LEU A 39 7.676 -1.797 1.337 1.00 33.53 H new ATOM 0 HD21 LEU A 39 6.285 -3.283 -0.980 1.00 11.31 H new ATOM 0 HD22 LEU A 39 6.067 -1.539 -0.703 1.00 11.31 H new ATOM 0 HD23 LEU A 39 6.633 -2.125 -2.286 1.00 11.31 H new ATOM 583 N ASN A 40 7.184 0.849 1.802 1.00 63.34 N ATOM 584 CA ASN A 40 7.328 1.123 3.243 1.00 41.01 C ATOM 585 C ASN A 40 8.050 2.460 3.488 1.00 64.52 C ATOM 586 O ASN A 40 8.845 2.592 4.426 1.00 50.43 O ATOM 587 CB ASN A 40 8.074 -0.024 3.956 1.00 13.23 C ATOM 588 CG ASN A 40 7.246 -1.291 4.098 1.00 3.33 C ATOM 589 OD1 ASN A 40 6.367 -1.554 3.152 1.00 12.02 O flip ATOM 590 ND2 ASN A 40 7.396 -2.036 5.060 1.00 34.13 N flip ATOM 0 H ASN A 40 6.217 0.823 1.479 1.00 63.34 H new ATOM 0 HA ASN A 40 6.324 1.194 3.662 1.00 41.01 H new ATOM 0 HB2 ASN A 40 8.984 -0.254 3.402 1.00 13.23 H new ATOM 0 HB3 ASN A 40 8.380 0.313 4.946 1.00 13.23 H new ATOM 0 HD21 ASN A 40 8.084 -1.809 5.778 1.00 34.13 H new ATOM 0 HD22 ASN A 40 6.833 -2.883 5.142 1.00 34.13 H new ATOM 597 N GLY A 41 7.748 3.458 2.658 1.00 33.24 N ATOM 598 CA GLY A 41 8.390 4.762 2.779 1.00 41.44 C ATOM 599 C GLY A 41 9.826 4.791 2.251 1.00 62.45 C ATOM 600 O GLY A 41 10.655 5.566 2.731 1.00 43.51 O ATOM 0 H GLY A 41 7.068 3.388 1.901 1.00 33.24 H new ATOM 0 HA2 GLY A 41 7.798 5.500 2.238 1.00 41.44 H new ATOM 0 HA3 GLY A 41 8.391 5.061 3.827 1.00 41.44 H new ATOM 604 N GLU A 42 10.122 3.951 1.260 1.00 11.42 N ATOM 605 CA GLU A 42 11.465 3.890 0.661 1.00 52.03 C ATOM 606 C GLU A 42 11.383 3.497 -0.830 1.00 50.52 C ATOM 607 O GLU A 42 10.938 2.399 -1.170 1.00 22.32 O ATOM 608 CB GLU A 42 12.331 2.894 1.445 1.00 44.55 C ATOM 609 CG GLU A 42 13.786 2.830 0.995 1.00 12.31 C ATOM 610 CD GLU A 42 14.638 1.978 1.924 1.00 13.44 C ATOM 611 OE1 GLU A 42 14.592 0.736 1.811 1.00 34.25 O ATOM 612 OE2 GLU A 42 15.336 2.549 2.794 1.00 64.51 O ATOM 0 H GLU A 42 9.452 3.300 0.851 1.00 11.42 H new ATOM 0 HA GLU A 42 11.925 4.877 0.716 1.00 52.03 H new ATOM 0 HB2 GLU A 42 12.302 3.160 2.502 1.00 44.55 H new ATOM 0 HB3 GLU A 42 11.892 1.900 1.354 1.00 44.55 H new ATOM 0 HG2 GLU A 42 13.835 2.423 -0.015 1.00 12.31 H new ATOM 0 HG3 GLU A 42 14.196 3.839 0.952 1.00 12.31 H new ATOM 619 N VAL A 43 11.795 4.411 -1.711 1.00 73.12 N ATOM 620 CA VAL A 43 11.640 4.233 -3.168 1.00 23.22 C ATOM 621 C VAL A 43 12.683 3.270 -3.774 1.00 42.13 C ATOM 622 O VAL A 43 13.821 3.186 -3.308 1.00 62.12 O ATOM 623 CB VAL A 43 11.712 5.604 -3.899 1.00 11.44 C ATOM 624 CG1 VAL A 43 13.089 6.247 -3.726 1.00 31.34 C ATOM 625 CG2 VAL A 43 11.354 5.468 -5.379 1.00 43.20 C ATOM 0 H VAL A 43 12.242 5.289 -1.445 1.00 73.12 H new ATOM 0 HA VAL A 43 10.658 3.784 -3.316 1.00 23.22 H new ATOM 0 HB VAL A 43 10.973 6.260 -3.440 1.00 11.44 H new ATOM 0 HG11 VAL A 43 13.112 7.204 -4.247 1.00 31.34 H new ATOM 0 HG12 VAL A 43 13.286 6.406 -2.666 1.00 31.34 H new ATOM 0 HG13 VAL A 43 13.852 5.589 -4.142 1.00 31.34 H new ATOM 0 HG21 VAL A 43 11.414 6.445 -5.859 1.00 43.20 H new ATOM 0 HG22 VAL A 43 12.052 4.783 -5.861 1.00 43.20 H new ATOM 0 HG23 VAL A 43 10.340 5.079 -5.474 1.00 43.20 H new ATOM 635 N LEU A 44 12.274 2.543 -4.817 1.00 73.42 N ATOM 636 CA LEU A 44 13.175 1.637 -5.552 1.00 74.25 C ATOM 637 C LEU A 44 13.549 2.225 -6.926 1.00 51.50 C ATOM 638 O LEU A 44 12.832 3.071 -7.469 1.00 1.23 O ATOM 639 CB LEU A 44 12.530 0.250 -5.748 1.00 61.55 C ATOM 640 CG LEU A 44 12.291 -0.581 -4.470 1.00 51.24 C ATOM 641 CD1 LEU A 44 13.580 -0.723 -3.663 1.00 31.45 C ATOM 642 CD2 LEU A 44 11.175 0.019 -3.619 1.00 61.01 C ATOM 0 H LEU A 44 11.320 2.561 -5.177 1.00 73.42 H new ATOM 0 HA LEU A 44 14.079 1.526 -4.954 1.00 74.25 H new ATOM 0 HB2 LEU A 44 11.573 0.386 -6.251 1.00 61.55 H new ATOM 0 HB3 LEU A 44 13.163 -0.330 -6.419 1.00 61.55 H new ATOM 0 HG LEU A 44 11.973 -1.578 -4.776 1.00 51.24 H new ATOM 0 HD11 LEU A 44 13.385 -1.313 -2.767 1.00 31.45 H new ATOM 0 HD12 LEU A 44 14.336 -1.223 -4.269 1.00 31.45 H new ATOM 0 HD13 LEU A 44 13.940 0.265 -3.376 1.00 31.45 H new ATOM 0 HD21 LEU A 44 11.031 -0.589 -2.726 1.00 61.01 H new ATOM 0 HD22 LEU A 44 11.446 1.034 -3.327 1.00 61.01 H new ATOM 0 HD23 LEU A 44 10.250 0.042 -4.195 1.00 61.01 H new ATOM 654 N GLU A 45 14.669 1.773 -7.490 1.00 33.21 N ATOM 655 CA GLU A 45 15.116 2.259 -8.802 1.00 20.44 C ATOM 656 C GLU A 45 14.292 1.630 -9.948 1.00 63.05 C ATOM 657 O GLU A 45 13.665 0.583 -9.775 1.00 55.03 O ATOM 658 CB GLU A 45 16.627 2.013 -8.985 1.00 31.03 C ATOM 659 CG GLU A 45 17.229 2.721 -10.204 1.00 45.22 C ATOM 660 CD GLU A 45 18.721 3.002 -10.060 1.00 23.32 C ATOM 661 OE1 GLU A 45 19.541 2.113 -10.368 1.00 64.21 O ATOM 662 OE2 GLU A 45 19.078 4.121 -9.635 1.00 74.31 O ATOM 0 H GLU A 45 15.281 1.076 -7.066 1.00 33.21 H new ATOM 0 HA GLU A 45 14.945 3.335 -8.841 1.00 20.44 H new ATOM 0 HB2 GLU A 45 17.150 2.346 -8.089 1.00 31.03 H new ATOM 0 HB3 GLU A 45 16.802 0.941 -9.077 1.00 31.03 H new ATOM 0 HG2 GLU A 45 17.065 2.107 -11.090 1.00 45.22 H new ATOM 0 HG3 GLU A 45 16.703 3.662 -10.366 1.00 45.22 H new ATOM 669 N ARG A 46 14.304 2.282 -11.116 1.00 72.21 N ATOM 670 CA ARG A 46 13.396 1.942 -12.230 1.00 52.23 C ATOM 671 C ARG A 46 13.367 0.437 -12.578 1.00 33.44 C ATOM 672 O ARG A 46 12.293 -0.148 -12.708 1.00 73.41 O ATOM 673 CB ARG A 46 13.746 2.770 -13.481 1.00 21.34 C ATOM 674 CG ARG A 46 13.263 4.229 -13.449 1.00 4.41 C ATOM 675 CD ARG A 46 14.037 5.109 -12.463 1.00 61.42 C ATOM 676 NE ARG A 46 13.687 4.862 -11.062 1.00 43.44 N ATOM 677 CZ ARG A 46 14.245 5.477 -10.049 1.00 33.13 C ATOM 678 NH1 ARG A 46 15.158 6.381 -10.246 1.00 11.04 N ATOM 679 NH2 ARG A 46 13.890 5.196 -8.836 1.00 70.31 N ATOM 0 H ARG A 46 14.937 3.056 -11.320 1.00 72.21 H new ATOM 0 HA ARG A 46 12.393 2.193 -11.885 1.00 52.23 H new ATOM 0 HB2 ARG A 46 14.828 2.764 -13.612 1.00 21.34 H new ATOM 0 HB3 ARG A 46 13.317 2.280 -14.355 1.00 21.34 H new ATOM 0 HG2 ARG A 46 13.351 4.654 -14.449 1.00 4.41 H new ATOM 0 HG3 ARG A 46 12.205 4.247 -13.187 1.00 4.41 H new ATOM 0 HD2 ARG A 46 15.105 4.940 -12.598 1.00 61.42 H new ATOM 0 HD3 ARG A 46 13.848 6.157 -12.697 1.00 61.42 H new ATOM 0 HE ARG A 46 12.965 4.169 -10.863 1.00 43.44 H new ATOM 0 HH11 ARG A 46 15.446 6.617 -11.196 1.00 11.04 H new ATOM 0 HH12 ARG A 46 15.587 6.855 -9.451 1.00 11.04 H new ATOM 0 HH21 ARG A 46 13.172 4.492 -8.665 1.00 70.31 H new ATOM 0 HH22 ARG A 46 14.328 5.679 -8.052 1.00 70.31 H new ATOM 693 N GLU A 47 14.526 -0.192 -12.742 1.00 63.34 N ATOM 694 CA GLU A 47 14.565 -1.626 -13.081 1.00 34.50 C ATOM 695 C GLU A 47 14.369 -2.512 -11.834 1.00 52.24 C ATOM 696 O GLU A 47 13.934 -3.662 -11.936 1.00 13.15 O ATOM 697 CB GLU A 47 15.876 -1.992 -13.800 1.00 63.40 C ATOM 698 CG GLU A 47 17.121 -1.994 -12.913 1.00 75.04 C ATOM 699 CD GLU A 47 17.341 -0.673 -12.199 1.00 72.22 C ATOM 700 OE1 GLU A 47 17.575 0.345 -12.887 1.00 3.22 O ATOM 701 OE2 GLU A 47 17.237 -0.644 -10.954 1.00 53.12 O ATOM 0 H GLU A 47 15.440 0.251 -12.650 1.00 63.34 H new ATOM 0 HA GLU A 47 13.735 -1.817 -13.761 1.00 34.50 H new ATOM 0 HB2 GLU A 47 15.764 -2.980 -14.246 1.00 63.40 H new ATOM 0 HB3 GLU A 47 16.032 -1.289 -14.618 1.00 63.40 H new ATOM 0 HG2 GLU A 47 17.033 -2.790 -12.174 1.00 75.04 H new ATOM 0 HG3 GLU A 47 17.995 -2.221 -13.523 1.00 75.04 H new ATOM 708 N ALA A 48 14.670 -1.961 -10.657 1.00 63.02 N ATOM 709 CA ALA A 48 14.514 -2.687 -9.387 1.00 70.12 C ATOM 710 C ALA A 48 13.067 -3.158 -9.158 1.00 13.34 C ATOM 711 O ALA A 48 12.824 -4.086 -8.384 1.00 1.22 O ATOM 712 CB ALA A 48 14.976 -1.817 -8.222 1.00 14.24 C ATOM 0 H ALA A 48 15.025 -1.010 -10.553 1.00 63.02 H new ATOM 0 HA ALA A 48 15.139 -3.578 -9.445 1.00 70.12 H new ATOM 0 HB1 ALA A 48 14.855 -2.366 -7.288 1.00 14.24 H new ATOM 0 HB2 ALA A 48 16.026 -1.556 -8.357 1.00 14.24 H new ATOM 0 HB3 ALA A 48 14.377 -0.907 -8.188 1.00 14.24 H new ATOM 718 N PHE A 49 12.110 -2.522 -9.835 1.00 63.12 N ATOM 719 CA PHE A 49 10.699 -2.916 -9.730 1.00 43.22 C ATOM 720 C PHE A 49 10.475 -4.367 -10.202 1.00 53.22 C ATOM 721 O PHE A 49 9.579 -5.059 -9.712 1.00 44.11 O ATOM 722 CB PHE A 49 9.811 -1.950 -10.527 1.00 31.13 C ATOM 723 CG PHE A 49 9.863 -0.526 -10.022 1.00 41.22 C ATOM 724 CD1 PHE A 49 9.681 -0.244 -8.674 1.00 73.42 C ATOM 725 CD2 PHE A 49 10.086 0.532 -10.894 1.00 1.42 C ATOM 726 CE1 PHE A 49 9.724 1.056 -8.210 1.00 72.32 C ATOM 727 CE2 PHE A 49 10.131 1.834 -10.434 1.00 5.14 C ATOM 728 CZ PHE A 49 9.949 2.096 -9.092 1.00 33.34 C ATOM 0 H PHE A 49 12.282 -1.735 -10.460 1.00 63.12 H new ATOM 0 HA PHE A 49 10.421 -2.865 -8.677 1.00 43.22 H new ATOM 0 HB2 PHE A 49 10.117 -1.967 -11.573 1.00 31.13 H new ATOM 0 HB3 PHE A 49 8.780 -2.303 -10.490 1.00 31.13 H new ATOM 0 HD1 PHE A 49 9.504 -1.052 -7.980 1.00 73.42 H new ATOM 0 HD2 PHE A 49 10.226 0.334 -11.946 1.00 1.42 H new ATOM 0 HE1 PHE A 49 9.582 1.260 -7.159 1.00 72.32 H new ATOM 0 HE2 PHE A 49 10.308 2.646 -11.124 1.00 5.14 H new ATOM 0 HZ PHE A 49 9.982 3.113 -8.731 1.00 33.34 H new ATOM 738 N ASP A 50 11.290 -4.826 -11.153 1.00 45.12 N ATOM 739 CA ASP A 50 11.260 -6.228 -11.588 1.00 54.52 C ATOM 740 C ASP A 50 12.146 -7.112 -10.698 1.00 34.12 C ATOM 741 O ASP A 50 11.965 -8.326 -10.638 1.00 73.53 O ATOM 742 CB ASP A 50 11.704 -6.349 -13.048 1.00 23.32 C ATOM 743 CG ASP A 50 10.653 -5.832 -14.009 1.00 34.13 C ATOM 744 OD1 ASP A 50 9.678 -6.567 -14.274 1.00 12.53 O ATOM 745 OD2 ASP A 50 10.786 -4.690 -14.495 1.00 54.14 O ATOM 0 H ASP A 50 11.979 -4.250 -11.638 1.00 45.12 H new ATOM 0 HA ASP A 50 10.231 -6.576 -11.498 1.00 54.52 H new ATOM 0 HB2 ASP A 50 12.631 -5.793 -13.192 1.00 23.32 H new ATOM 0 HB3 ASP A 50 11.920 -7.393 -13.275 1.00 23.32 H new ATOM 750 N ALA A 51 13.103 -6.497 -10.012 1.00 75.23 N ATOM 751 CA ALA A 51 14.015 -7.223 -9.117 1.00 13.05 C ATOM 752 C ALA A 51 13.480 -7.288 -7.672 1.00 24.35 C ATOM 753 O ALA A 51 14.136 -7.837 -6.780 1.00 24.42 O ATOM 754 CB ALA A 51 15.391 -6.566 -9.147 1.00 55.30 C ATOM 0 H ALA A 51 13.273 -5.492 -10.055 1.00 75.23 H new ATOM 0 HA ALA A 51 14.091 -8.250 -9.476 1.00 13.05 H new ATOM 0 HB1 ALA A 51 16.066 -7.105 -8.483 1.00 55.30 H new ATOM 0 HB2 ALA A 51 15.784 -6.592 -10.163 1.00 55.30 H new ATOM 0 HB3 ALA A 51 15.307 -5.531 -8.816 1.00 55.30 H new ATOM 760 N THR A 52 12.288 -6.735 -7.444 1.00 54.43 N ATOM 761 CA THR A 52 11.669 -6.733 -6.105 1.00 2.22 C ATOM 762 C THR A 52 10.366 -7.545 -6.087 1.00 54.21 C ATOM 763 O THR A 52 9.398 -7.193 -6.765 1.00 12.04 O ATOM 764 CB THR A 52 11.366 -5.290 -5.623 1.00 54.23 C ATOM 765 OG1 THR A 52 12.578 -4.526 -5.549 1.00 54.20 O ATOM 766 CG2 THR A 52 10.684 -5.292 -4.256 1.00 42.13 C ATOM 0 H THR A 52 11.727 -6.281 -8.165 1.00 54.43 H new ATOM 0 HA THR A 52 12.389 -7.195 -5.430 1.00 2.22 H new ATOM 0 HB THR A 52 10.690 -4.836 -6.347 1.00 54.23 H new ATOM 0 HG1 THR A 52 12.871 -4.289 -6.454 1.00 54.20 H new ATOM 0 HG21 THR A 52 10.485 -4.266 -3.947 1.00 42.13 H new ATOM 0 HG22 THR A 52 9.744 -5.840 -4.319 1.00 42.13 H new ATOM 0 HG23 THR A 52 11.335 -5.771 -3.525 1.00 42.13 H new ATOM 774 N THR A 53 10.348 -8.628 -5.308 1.00 61.11 N ATOM 775 CA THR A 53 9.153 -9.478 -5.183 1.00 60.45 C ATOM 776 C THR A 53 8.233 -9.000 -4.047 1.00 21.53 C ATOM 777 O THR A 53 8.567 -9.115 -2.865 1.00 50.23 O ATOM 778 CB THR A 53 9.524 -10.967 -4.934 1.00 35.11 C ATOM 779 OG1 THR A 53 10.281 -11.488 -6.038 1.00 12.25 O ATOM 780 CG2 THR A 53 8.275 -11.826 -4.734 1.00 71.35 C ATOM 0 H THR A 53 11.145 -8.941 -4.753 1.00 61.11 H new ATOM 0 HA THR A 53 8.625 -9.397 -6.133 1.00 60.45 H new ATOM 0 HB THR A 53 10.126 -11.005 -4.026 1.00 35.11 H new ATOM 0 HG1 THR A 53 10.508 -12.426 -5.865 1.00 12.25 H new ATOM 0 HG21 THR A 53 8.569 -12.861 -4.562 1.00 71.35 H new ATOM 0 HG22 THR A 53 7.716 -11.460 -3.873 1.00 71.35 H new ATOM 0 HG23 THR A 53 7.648 -11.770 -5.624 1.00 71.35 H new ATOM 788 N VAL A 54 7.079 -8.457 -4.421 1.00 52.40 N ATOM 789 CA VAL A 54 6.059 -8.033 -3.463 1.00 74.20 C ATOM 790 C VAL A 54 5.285 -9.247 -2.928 1.00 72.41 C ATOM 791 O VAL A 54 4.920 -10.152 -3.686 1.00 43.44 O ATOM 792 CB VAL A 54 5.068 -7.030 -4.108 1.00 34.53 C ATOM 793 CG1 VAL A 54 4.052 -6.525 -3.082 1.00 3.44 C ATOM 794 CG2 VAL A 54 5.821 -5.862 -4.742 1.00 62.23 C ATOM 0 H VAL A 54 6.823 -8.298 -5.395 1.00 52.40 H new ATOM 0 HA VAL A 54 6.568 -7.537 -2.637 1.00 74.20 H new ATOM 0 HB VAL A 54 4.521 -7.553 -4.893 1.00 34.53 H new ATOM 0 HG11 VAL A 54 3.369 -5.823 -3.561 1.00 3.44 H new ATOM 0 HG12 VAL A 54 3.486 -7.368 -2.685 1.00 3.44 H new ATOM 0 HG13 VAL A 54 4.575 -6.024 -2.268 1.00 3.44 H new ATOM 0 HG21 VAL A 54 5.108 -5.169 -5.189 1.00 62.23 H new ATOM 0 HG22 VAL A 54 6.399 -5.344 -3.977 1.00 62.23 H new ATOM 0 HG23 VAL A 54 6.494 -6.238 -5.513 1.00 62.23 H new ATOM 804 N LYS A 55 5.035 -9.258 -1.626 1.00 10.11 N ATOM 805 CA LYS A 55 4.433 -10.417 -0.961 1.00 40.31 C ATOM 806 C LYS A 55 3.325 -10.000 0.019 1.00 22.00 C ATOM 807 O LYS A 55 3.085 -8.811 0.245 1.00 20.42 O ATOM 808 CB LYS A 55 5.537 -11.185 -0.226 1.00 71.14 C ATOM 809 CG LYS A 55 6.273 -10.331 0.802 1.00 53.23 C ATOM 810 CD LYS A 55 7.631 -10.912 1.176 1.00 31.34 C ATOM 811 CE LYS A 55 8.640 -10.717 0.050 1.00 2.23 C ATOM 812 NZ LYS A 55 8.861 -9.274 -0.253 1.00 32.00 N ATOM 0 H LYS A 55 5.239 -8.477 -1.003 1.00 10.11 H new ATOM 0 HA LYS A 55 3.968 -11.053 -1.714 1.00 40.31 H new ATOM 0 HB2 LYS A 55 5.100 -12.049 0.274 1.00 71.14 H new ATOM 0 HB3 LYS A 55 6.253 -11.566 -0.954 1.00 71.14 H new ATOM 0 HG2 LYS A 55 6.408 -9.325 0.404 1.00 53.23 H new ATOM 0 HG3 LYS A 55 5.661 -10.239 1.699 1.00 53.23 H new ATOM 0 HD2 LYS A 55 7.997 -10.433 2.084 1.00 31.34 H new ATOM 0 HD3 LYS A 55 7.527 -11.975 1.396 1.00 31.34 H new ATOM 0 HE2 LYS A 55 9.587 -11.179 0.327 1.00 2.23 H new ATOM 0 HE3 LYS A 55 8.287 -11.227 -0.847 1.00 2.23 H new ATOM 0 HZ1 LYS A 55 8.448 -9.047 -1.180 1.00 32.00 H new ATOM 0 HZ2 LYS A 55 8.408 -8.692 0.480 1.00 32.00 H new ATOM 0 HZ3 LYS A 55 9.882 -9.075 -0.271 1.00 32.00 H new ATOM 826 N ASP A 56 2.665 -10.992 0.610 1.00 73.13 N ATOM 827 CA ASP A 56 1.544 -10.752 1.521 1.00 51.44 C ATOM 828 C ASP A 56 1.952 -9.878 2.726 1.00 40.42 C ATOM 829 O ASP A 56 2.659 -10.331 3.631 1.00 22.13 O ATOM 830 CB ASP A 56 0.979 -12.096 1.997 1.00 14.43 C ATOM 831 CG ASP A 56 -0.278 -11.943 2.828 1.00 25.52 C ATOM 832 OD1 ASP A 56 -1.366 -11.778 2.240 1.00 31.32 O ATOM 833 OD2 ASP A 56 -0.187 -11.978 4.071 1.00 53.44 O ATOM 0 H ASP A 56 2.888 -11.978 0.474 1.00 73.13 H new ATOM 0 HA ASP A 56 0.776 -10.202 0.977 1.00 51.44 H new ATOM 0 HB2 ASP A 56 0.763 -12.721 1.131 1.00 14.43 H new ATOM 0 HB3 ASP A 56 1.736 -12.616 2.584 1.00 14.43 H new ATOM 838 N GLY A 57 1.531 -8.615 2.711 1.00 40.25 N ATOM 839 CA GLY A 57 1.753 -7.723 3.847 1.00 61.22 C ATOM 840 C GLY A 57 2.642 -6.531 3.514 1.00 53.25 C ATOM 841 O GLY A 57 3.021 -5.765 4.401 1.00 65.13 O ATOM 0 H GLY A 57 1.036 -8.187 1.928 1.00 40.25 H new ATOM 0 HA2 GLY A 57 0.791 -7.360 4.208 1.00 61.22 H new ATOM 0 HA3 GLY A 57 2.206 -8.289 4.661 1.00 61.22 H new ATOM 845 N ASP A 58 2.964 -6.357 2.234 1.00 64.24 N ATOM 846 CA ASP A 58 3.853 -5.274 1.804 1.00 43.04 C ATOM 847 C ASP A 58 3.078 -3.969 1.542 1.00 54.32 C ATOM 848 O ASP A 58 1.890 -3.987 1.212 1.00 33.44 O ATOM 849 CB ASP A 58 4.639 -5.701 0.557 1.00 4.11 C ATOM 850 CG ASP A 58 5.733 -6.715 0.862 1.00 65.24 C ATOM 851 OD1 ASP A 58 5.919 -7.074 2.047 1.00 50.23 O ATOM 852 OD2 ASP A 58 6.429 -7.147 -0.084 1.00 0.43 O ATOM 0 H ASP A 58 2.625 -6.949 1.476 1.00 64.24 H new ATOM 0 HA ASP A 58 4.555 -5.074 2.614 1.00 43.04 H new ATOM 0 HB2 ASP A 58 3.950 -6.127 -0.172 1.00 4.11 H new ATOM 0 HB3 ASP A 58 5.086 -4.820 0.097 1.00 4.11 H new ATOM 857 N ALA A 59 3.763 -2.835 1.685 1.00 75.42 N ATOM 858 CA ALA A 59 3.131 -1.519 1.536 1.00 74.14 C ATOM 859 C ALA A 59 3.793 -0.696 0.421 1.00 53.22 C ATOM 860 O ALA A 59 4.921 -0.219 0.572 1.00 45.44 O ATOM 861 CB ALA A 59 3.181 -0.760 2.858 1.00 23.32 C ATOM 0 H ALA A 59 4.758 -2.798 1.904 1.00 75.42 H new ATOM 0 HA ALA A 59 2.090 -1.678 1.254 1.00 74.14 H new ATOM 0 HB1 ALA A 59 2.709 0.215 2.736 1.00 23.32 H new ATOM 0 HB2 ALA A 59 2.650 -1.327 3.623 1.00 23.32 H new ATOM 0 HB3 ALA A 59 4.219 -0.625 3.161 1.00 23.32 H new ATOM 867 N VAL A 60 3.084 -0.546 -0.697 1.00 52.21 N ATOM 868 CA VAL A 60 3.559 0.247 -1.836 1.00 43.24 C ATOM 869 C VAL A 60 2.832 1.600 -1.900 1.00 71.21 C ATOM 870 O VAL A 60 1.635 1.665 -2.173 1.00 13.10 O ATOM 871 CB VAL A 60 3.370 -0.519 -3.176 1.00 62.41 C ATOM 872 CG1 VAL A 60 1.939 -1.041 -3.325 1.00 13.34 C ATOM 873 CG2 VAL A 60 3.752 0.362 -4.367 1.00 32.54 C ATOM 0 H VAL A 60 2.167 -0.968 -0.841 1.00 52.21 H new ATOM 0 HA VAL A 60 4.624 0.425 -1.689 1.00 43.24 H new ATOM 0 HB VAL A 60 4.038 -1.380 -3.159 1.00 62.41 H new ATOM 0 HG11 VAL A 60 1.842 -1.571 -4.272 1.00 13.34 H new ATOM 0 HG12 VAL A 60 1.712 -1.721 -2.504 1.00 13.34 H new ATOM 0 HG13 VAL A 60 1.242 -0.203 -3.305 1.00 13.34 H new ATOM 0 HG21 VAL A 60 3.611 -0.196 -5.293 1.00 32.54 H new ATOM 0 HG22 VAL A 60 3.121 1.251 -4.380 1.00 32.54 H new ATOM 0 HG23 VAL A 60 4.797 0.660 -4.279 1.00 32.54 H new ATOM 883 N GLU A 61 3.554 2.681 -1.628 1.00 63.05 N ATOM 884 CA GLU A 61 2.945 4.011 -1.564 1.00 14.11 C ATOM 885 C GLU A 61 3.146 4.809 -2.863 1.00 23.24 C ATOM 886 O GLU A 61 4.263 5.189 -3.216 1.00 61.01 O ATOM 887 CB GLU A 61 3.504 4.779 -0.360 1.00 2.42 C ATOM 888 CG GLU A 61 3.259 4.064 0.966 1.00 30.31 C ATOM 889 CD GLU A 61 3.671 4.888 2.174 1.00 22.44 C ATOM 890 OE1 GLU A 61 2.919 5.817 2.542 1.00 31.32 O ATOM 891 OE2 GLU A 61 4.734 4.604 2.766 1.00 63.42 O ATOM 0 H GLU A 61 4.558 2.667 -1.448 1.00 63.05 H new ATOM 0 HA GLU A 61 1.870 3.880 -1.442 1.00 14.11 H new ATOM 0 HB2 GLU A 61 4.576 4.926 -0.495 1.00 2.42 H new ATOM 0 HB3 GLU A 61 3.048 5.768 -0.323 1.00 2.42 H new ATOM 0 HG2 GLU A 61 2.201 3.815 1.047 1.00 30.31 H new ATOM 0 HG3 GLU A 61 3.809 3.123 0.971 1.00 30.31 H new ATOM 898 N PHE A 62 2.040 5.029 -3.576 1.00 70.23 N ATOM 899 CA PHE A 62 2.023 5.876 -4.780 1.00 62.01 C ATOM 900 C PHE A 62 1.951 7.369 -4.417 1.00 43.35 C ATOM 901 O PHE A 62 1.104 7.778 -3.626 1.00 12.22 O ATOM 902 CB PHE A 62 0.810 5.523 -5.654 1.00 74.51 C ATOM 903 CG PHE A 62 1.017 4.345 -6.572 1.00 51.31 C ATOM 904 CD1 PHE A 62 0.944 3.043 -6.095 1.00 70.22 C ATOM 905 CD2 PHE A 62 1.277 4.546 -7.922 1.00 71.22 C ATOM 906 CE1 PHE A 62 1.130 1.967 -6.945 1.00 30.35 C ATOM 907 CE2 PHE A 62 1.464 3.474 -8.774 1.00 10.31 C ATOM 908 CZ PHE A 62 1.390 2.184 -8.287 1.00 25.11 C ATOM 0 H PHE A 62 1.132 4.629 -3.340 1.00 70.23 H new ATOM 0 HA PHE A 62 2.949 5.690 -5.324 1.00 62.01 H new ATOM 0 HB2 PHE A 62 -0.040 5.315 -5.005 1.00 74.51 H new ATOM 0 HB3 PHE A 62 0.547 6.393 -6.255 1.00 74.51 H new ATOM 0 HD1 PHE A 62 0.740 2.868 -5.049 1.00 70.22 H new ATOM 0 HD2 PHE A 62 1.334 5.552 -8.310 1.00 71.22 H new ATOM 0 HE1 PHE A 62 1.072 0.959 -6.562 1.00 30.35 H new ATOM 0 HE2 PHE A 62 1.668 3.645 -9.821 1.00 10.31 H new ATOM 0 HZ PHE A 62 1.535 1.346 -8.952 1.00 25.11 H new ATOM 918 N LEU A 63 2.817 8.185 -5.008 1.00 25.22 N ATOM 919 CA LEU A 63 2.786 9.634 -4.761 1.00 4.53 C ATOM 920 C LEU A 63 3.084 10.443 -6.036 1.00 60.23 C ATOM 921 O LEU A 63 3.488 9.883 -7.054 1.00 64.12 O ATOM 922 CB LEU A 63 3.751 10.029 -3.625 1.00 33.50 C ATOM 923 CG LEU A 63 5.241 9.699 -3.838 1.00 64.40 C ATOM 924 CD1 LEU A 63 6.095 10.428 -2.808 1.00 20.31 C ATOM 925 CD2 LEU A 63 5.488 8.195 -3.750 1.00 30.21 C ATOM 0 H LEU A 63 3.544 7.879 -5.655 1.00 25.22 H new ATOM 0 HA LEU A 63 1.771 9.880 -4.448 1.00 4.53 H new ATOM 0 HB2 LEU A 63 3.660 11.102 -3.459 1.00 33.50 H new ATOM 0 HB3 LEU A 63 3.420 9.536 -2.711 1.00 33.50 H new ATOM 0 HG LEU A 63 5.521 10.034 -4.837 1.00 64.40 H new ATOM 0 HD11 LEU A 63 7.145 10.186 -2.970 1.00 20.31 H new ATOM 0 HD12 LEU A 63 5.950 11.503 -2.911 1.00 20.31 H new ATOM 0 HD13 LEU A 63 5.801 10.117 -1.806 1.00 20.31 H new ATOM 0 HD21 LEU A 63 6.548 7.991 -3.904 1.00 30.21 H new ATOM 0 HD22 LEU A 63 5.188 7.834 -2.766 1.00 30.21 H new ATOM 0 HD23 LEU A 63 4.905 7.685 -4.517 1.00 30.21 H new