USER MOD reduce.3.24.130724 H: found=0, std=0, add=777, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 774 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 55 GLN : amide:sc= 0.199 K(o=0.36,f=-2.7) USER MOD Set 1.2: A 89 SER OG : rot 111:sc= 0.16 USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.242 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 CYS SG : rot 130:sc= -0.184 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.24 USER MOD Single : A 24 SER OG : rot 180:sc=-0.000905 USER MOD Single : A 26 GLN : amide:sc= -0.228 X(o=-0.23,f=-0.022) USER MOD Single : A 29 THR OG1 : rot -31:sc= 0.403 USER MOD Single : A 30 GLN :FLIP amide:sc= -5.16! C(o=-6.2!,f=-5.2!) USER MOD Single : A 31 THR OG1 : rot 180:sc=0.000393 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -6:sc= 0.0406 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -0.0602 K(o=-0.06,f=-0.86) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 171:sc= -1.01 USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.0485 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.101 K(o=-0.1,f=-0.76) USER MOD Single : A 72 THR OG1 : rot 71:sc= 0.508 USER MOD Single : A 77 HIS : no HD1:sc= -0.373 X(o=-0.37,f=-0.13) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= -0.874 USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0.0264 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 1.496 -1.189 -0.195 1.00 23.33 N ATOM 2 CA PRO A 1 2.399 -0.959 -1.327 1.00 14.43 C ATOM 3 C PRO A 1 2.424 -2.135 -2.297 1.00 55.41 C ATOM 4 O PRO A 1 1.619 -3.061 -2.187 1.00 53.43 O ATOM 5 CB PRO A 1 3.766 -0.786 -0.661 1.00 10.41 C ATOM 6 CG PRO A 1 3.657 -1.526 0.627 1.00 15.02 C ATOM 7 CD PRO A 1 2.227 -1.378 1.070 1.00 41.22 C ATOM 0 H2 PRO A 1 0.923 -2.012 -0.381 1.00 23.33 H new ATOM 0 H3 PRO A 1 0.860 -0.397 -0.103 1.00 23.33 H new ATOM 0 HA PRO A 1 2.090 -0.103 -1.927 1.00 14.43 H new ATOM 0 HB2 PRO A 1 4.564 -1.191 -1.284 1.00 10.41 H new ATOM 0 HB3 PRO A 1 3.995 0.267 -0.495 1.00 10.41 H new ATOM 0 HG2 PRO A 1 3.919 -2.576 0.497 1.00 15.02 H new ATOM 0 HG3 PRO A 1 4.340 -1.117 1.371 1.00 15.02 H new ATOM 0 HD2 PRO A 1 1.879 -2.260 1.607 1.00 41.22 H new ATOM 0 HD3 PRO A 1 2.099 -0.527 1.739 1.00 41.22 H new ATOM 15 N LEU A 2 3.352 -2.093 -3.246 1.00 52.44 N ATOM 16 CA LEU A 2 3.482 -3.156 -4.237 1.00 0.23 C ATOM 17 C LEU A 2 4.910 -3.233 -4.768 1.00 73.02 C ATOM 18 O LEU A 2 5.718 -2.331 -4.543 1.00 73.24 O ATOM 19 CB LEU A 2 2.507 -2.925 -5.393 1.00 22.22 C ATOM 20 CG LEU A 2 1.233 -3.770 -5.375 1.00 14.35 C ATOM 21 CD1 LEU A 2 0.063 -2.984 -5.947 1.00 44.25 C ATOM 22 CD2 LEU A 2 1.439 -5.063 -6.149 1.00 32.20 C ATOM 0 H LEU A 2 4.026 -1.334 -3.351 1.00 52.44 H new ATOM 0 HA LEU A 2 3.243 -4.103 -3.752 1.00 0.23 H new ATOM 0 HB2 LEU A 2 2.221 -1.873 -5.396 1.00 22.22 H new ATOM 0 HB3 LEU A 2 3.032 -3.116 -6.329 1.00 22.22 H new ATOM 0 HG LEU A 2 1.003 -4.023 -4.340 1.00 14.35 H new ATOM 0 HD11 LEU A 2 -0.835 -3.601 -5.926 1.00 44.25 H new ATOM 0 HD12 LEU A 2 -0.099 -2.087 -5.350 1.00 44.25 H new ATOM 0 HD13 LEU A 2 0.284 -2.700 -6.976 1.00 44.25 H new ATOM 0 HD21 LEU A 2 0.522 -5.651 -6.125 1.00 32.20 H new ATOM 0 HD22 LEU A 2 1.695 -4.831 -7.183 1.00 32.20 H new ATOM 0 HD23 LEU A 2 2.248 -5.634 -5.694 1.00 32.20 H new ATOM 34 N THR A 3 5.214 -4.316 -5.477 1.00 3.03 N ATOM 35 CA THR A 3 6.544 -4.511 -6.041 1.00 54.15 C ATOM 36 C THR A 3 6.478 -4.684 -7.555 1.00 22.14 C ATOM 37 O THR A 3 5.402 -4.877 -8.121 1.00 22.13 O ATOM 38 CB THR A 3 7.241 -5.738 -5.425 1.00 63.24 C ATOM 39 OG1 THR A 3 8.586 -5.832 -5.909 1.00 52.42 O ATOM 40 CG2 THR A 3 6.486 -7.015 -5.761 1.00 61.34 C ATOM 0 H THR A 3 4.557 -5.071 -5.674 1.00 3.03 H new ATOM 0 HA THR A 3 7.122 -3.618 -5.805 1.00 54.15 H new ATOM 0 HB THR A 3 7.252 -5.616 -4.342 1.00 63.24 H new ATOM 0 HG1 THR A 3 9.023 -6.614 -5.511 1.00 52.42 H new ATOM 0 HG21 THR A 3 6.997 -7.868 -5.315 1.00 61.34 H new ATOM 0 HG22 THR A 3 5.472 -6.953 -5.366 1.00 61.34 H new ATOM 0 HG23 THR A 3 6.447 -7.141 -6.843 1.00 61.34 H new ATOM 48 N ARG A 4 7.636 -4.614 -8.204 1.00 74.51 N ATOM 49 CA ARG A 4 7.709 -4.763 -9.653 1.00 30.35 C ATOM 50 C ARG A 4 6.979 -6.024 -10.107 1.00 51.33 C ATOM 51 O ARG A 4 6.778 -6.965 -9.340 1.00 63.41 O ATOM 52 CB ARG A 4 9.169 -4.814 -10.108 1.00 75.00 C ATOM 53 CG ARG A 4 9.716 -3.467 -10.550 1.00 12.31 C ATOM 54 CD ARG A 4 11.166 -3.289 -10.128 1.00 12.23 C ATOM 55 NE ARG A 4 11.759 -2.084 -10.702 1.00 1.14 N ATOM 56 CZ ARG A 4 12.122 -1.978 -11.975 1.00 74.11 C ATOM 57 NH1 ARG A 4 11.952 -3.000 -12.803 1.00 53.42 N ATOM 58 NH2 ARG A 4 12.655 -0.849 -12.423 1.00 12.42 N ATOM 0 H ARG A 4 8.536 -4.455 -7.750 1.00 74.51 H new ATOM 0 HA ARG A 4 7.224 -3.899 -10.108 1.00 30.35 H new ATOM 0 HB2 ARG A 4 9.782 -5.195 -9.292 1.00 75.00 H new ATOM 0 HB3 ARG A 4 9.259 -5.522 -10.932 1.00 75.00 H new ATOM 0 HG2 ARG A 4 9.638 -3.379 -11.634 1.00 12.31 H new ATOM 0 HG3 ARG A 4 9.110 -2.669 -10.121 1.00 12.31 H new ATOM 0 HD2 ARG A 4 11.224 -3.239 -9.041 1.00 12.23 H new ATOM 0 HD3 ARG A 4 11.743 -4.160 -10.438 1.00 12.23 H new ATOM 0 HE ARG A 4 11.902 -1.280 -10.091 1.00 1.14 H new ATOM 0 HH11 ARG A 4 11.542 -3.870 -12.462 1.00 53.42 H new ATOM 0 HH12 ARG A 4 12.231 -2.916 -13.780 1.00 53.42 H new ATOM 0 HH21 ARG A 4 12.787 -0.061 -11.789 1.00 12.42 H new ATOM 0 HH22 ARG A 4 12.933 -0.769 -13.401 1.00 12.42 H new ATOM 72 N PRO A 5 6.571 -6.043 -11.385 1.00 21.21 N ATOM 73 CA PRO A 5 5.857 -7.182 -11.971 1.00 1.43 C ATOM 74 C PRO A 5 6.752 -8.405 -12.135 1.00 44.13 C ATOM 75 O PRO A 5 6.356 -9.525 -11.811 1.00 53.45 O ATOM 76 CB PRO A 5 5.413 -6.656 -13.338 1.00 71.10 C ATOM 77 CG PRO A 5 6.392 -5.583 -13.668 1.00 1.12 C ATOM 78 CD PRO A 5 6.776 -4.956 -12.356 1.00 42.43 C ATOM 0 HA PRO A 5 5.034 -7.516 -11.340 1.00 1.43 H new ATOM 0 HB2 PRO A 5 5.424 -7.446 -14.089 1.00 71.10 H new ATOM 0 HB3 PRO A 5 4.396 -6.266 -13.301 1.00 71.10 H new ATOM 0 HG2 PRO A 5 7.265 -5.994 -14.175 1.00 1.12 H new ATOM 0 HG3 PRO A 5 5.952 -4.846 -14.339 1.00 1.12 H new ATOM 0 HD2 PRO A 5 7.811 -4.613 -12.362 1.00 42.43 H new ATOM 0 HD3 PRO A 5 6.154 -4.090 -12.127 1.00 42.43 H new ATOM 86 N TYR A 6 7.961 -8.184 -12.640 1.00 1.12 N ATOM 87 CA TYR A 6 8.912 -9.269 -12.849 1.00 61.11 C ATOM 88 C TYR A 6 9.706 -9.550 -11.577 1.00 64.32 C ATOM 89 O TYR A 6 9.902 -8.664 -10.744 1.00 64.05 O ATOM 90 CB TYR A 6 9.866 -8.925 -13.994 1.00 63.41 C ATOM 91 CG TYR A 6 9.563 -9.665 -15.277 1.00 65.25 C ATOM 92 CD1 TYR A 6 10.277 -10.804 -15.631 1.00 2.12 C ATOM 93 CD2 TYR A 6 8.565 -9.225 -16.137 1.00 73.31 C ATOM 94 CE1 TYR A 6 10.005 -11.483 -16.803 1.00 14.23 C ATOM 95 CE2 TYR A 6 8.284 -9.899 -17.310 1.00 42.32 C ATOM 96 CZ TYR A 6 9.007 -11.027 -17.639 1.00 11.43 C ATOM 97 OH TYR A 6 8.732 -11.699 -18.807 1.00 75.41 O ATOM 0 H TYR A 6 8.305 -7.263 -12.912 1.00 1.12 H new ATOM 0 HA TYR A 6 8.350 -10.166 -13.110 1.00 61.11 H new ATOM 0 HB2 TYR A 6 9.821 -7.853 -14.184 1.00 63.41 H new ATOM 0 HB3 TYR A 6 10.887 -9.152 -13.686 1.00 63.41 H new ATOM 0 HD1 TYR A 6 11.058 -11.165 -14.978 1.00 2.12 H new ATOM 0 HD2 TYR A 6 7.999 -8.341 -15.884 1.00 73.31 H new ATOM 0 HE1 TYR A 6 10.570 -12.366 -17.063 1.00 14.23 H new ATOM 0 HE2 TYR A 6 7.503 -9.545 -17.966 1.00 42.32 H new ATOM 0 HH TYR A 6 8.001 -11.248 -19.279 1.00 75.41 H new ATOM 107 N LEU A 7 10.162 -10.790 -11.434 1.00 41.13 N ATOM 108 CA LEU A 7 10.937 -11.190 -10.265 1.00 34.24 C ATOM 109 C LEU A 7 12.417 -10.875 -10.458 1.00 35.34 C ATOM 110 O LEU A 7 12.957 -11.029 -11.552 1.00 52.31 O ATOM 111 CB LEU A 7 10.753 -12.684 -9.994 1.00 35.43 C ATOM 112 CG LEU A 7 9.518 -13.072 -9.179 1.00 11.31 C ATOM 113 CD1 LEU A 7 9.632 -12.547 -7.756 1.00 34.52 C ATOM 114 CD2 LEU A 7 8.254 -12.546 -9.843 1.00 71.15 C ATOM 0 H LEU A 7 10.008 -11.535 -12.113 1.00 41.13 H new ATOM 0 HA LEU A 7 10.573 -10.624 -9.408 1.00 34.24 H new ATOM 0 HB2 LEU A 7 10.710 -13.204 -10.951 1.00 35.43 H new ATOM 0 HB3 LEU A 7 11.637 -13.050 -9.472 1.00 35.43 H new ATOM 0 HG LEU A 7 9.459 -14.160 -9.140 1.00 11.31 H new ATOM 0 HD11 LEU A 7 8.745 -12.832 -7.191 1.00 34.52 H new ATOM 0 HD12 LEU A 7 10.517 -12.971 -7.281 1.00 34.52 H new ATOM 0 HD13 LEU A 7 9.716 -11.460 -7.775 1.00 34.52 H new ATOM 0 HD21 LEU A 7 7.385 -12.831 -9.249 1.00 71.15 H new ATOM 0 HD22 LEU A 7 8.305 -11.459 -9.913 1.00 71.15 H new ATOM 0 HD23 LEU A 7 8.165 -12.970 -10.843 1.00 71.15 H new ATOM 126 N GLY A 8 13.068 -10.436 -9.385 1.00 13.42 N ATOM 127 CA GLY A 8 14.480 -10.108 -9.457 1.00 33.14 C ATOM 128 C GLY A 8 15.339 -11.067 -8.656 1.00 74.03 C ATOM 129 O GLY A 8 16.298 -10.656 -8.003 1.00 53.41 O ATOM 0 H GLY A 8 12.643 -10.302 -8.468 1.00 13.42 H new ATOM 0 HA2 GLY A 8 14.800 -10.121 -10.499 1.00 33.14 H new ATOM 0 HA3 GLY A 8 14.634 -9.093 -9.089 1.00 33.14 H new ATOM 133 N PHE A 9 14.994 -12.349 -8.705 1.00 33.40 N ATOM 134 CA PHE A 9 15.739 -13.370 -7.976 1.00 53.45 C ATOM 135 C PHE A 9 15.219 -14.765 -8.311 1.00 2.05 C ATOM 136 O PHE A 9 14.132 -14.917 -8.867 1.00 33.21 O ATOM 137 CB PHE A 9 15.641 -13.124 -6.469 1.00 60.04 C ATOM 138 CG PHE A 9 14.274 -13.390 -5.906 1.00 42.41 C ATOM 139 CD1 PHE A 9 14.021 -14.543 -5.181 1.00 4.44 C ATOM 140 CD2 PHE A 9 13.242 -12.486 -6.103 1.00 30.52 C ATOM 141 CE1 PHE A 9 12.765 -14.790 -4.661 1.00 11.15 C ATOM 142 CE2 PHE A 9 11.984 -12.728 -5.585 1.00 34.22 C ATOM 143 CZ PHE A 9 11.744 -13.882 -4.864 1.00 4.21 C ATOM 0 H PHE A 9 14.204 -12.706 -9.242 1.00 33.40 H new ATOM 0 HA PHE A 9 16.784 -13.309 -8.279 1.00 53.45 H new ATOM 0 HB2 PHE A 9 16.365 -13.758 -5.958 1.00 60.04 H new ATOM 0 HB3 PHE A 9 15.917 -12.091 -6.259 1.00 60.04 H new ATOM 0 HD1 PHE A 9 14.815 -15.257 -5.020 1.00 4.44 H new ATOM 0 HD2 PHE A 9 13.423 -11.583 -6.667 1.00 30.52 H new ATOM 0 HE1 PHE A 9 12.582 -15.692 -4.096 1.00 11.15 H new ATOM 0 HE2 PHE A 9 11.188 -12.015 -5.744 1.00 34.22 H new ATOM 0 HZ PHE A 9 10.761 -14.074 -4.460 1.00 4.21 H new ATOM 153 N ARG A 10 16.005 -15.780 -7.967 1.00 61.22 N ATOM 154 CA ARG A 10 15.626 -17.163 -8.232 1.00 3.01 C ATOM 155 C ARG A 10 15.576 -17.970 -6.938 1.00 15.12 C ATOM 156 O ARG A 10 16.280 -17.665 -5.976 1.00 24.24 O ATOM 157 CB ARG A 10 16.613 -17.806 -9.208 1.00 74.43 C ATOM 158 CG ARG A 10 18.059 -17.742 -8.744 1.00 75.41 C ATOM 159 CD ARG A 10 19.002 -17.449 -9.900 1.00 2.42 C ATOM 160 NE ARG A 10 18.679 -16.188 -10.563 1.00 25.01 N ATOM 161 CZ ARG A 10 19.153 -15.843 -11.755 1.00 54.41 C ATOM 162 NH1 ARG A 10 19.965 -16.659 -12.412 1.00 32.43 N ATOM 163 NH2 ARG A 10 18.813 -14.678 -12.293 1.00 60.22 N ATOM 0 H ARG A 10 16.908 -15.671 -7.505 1.00 61.22 H new ATOM 0 HA ARG A 10 14.632 -17.162 -8.679 1.00 3.01 H new ATOM 0 HB2 ARG A 10 16.335 -18.849 -9.358 1.00 74.43 H new ATOM 0 HB3 ARG A 10 16.529 -17.311 -10.175 1.00 74.43 H new ATOM 0 HG2 ARG A 10 18.164 -16.969 -7.982 1.00 75.41 H new ATOM 0 HG3 ARG A 10 18.335 -18.688 -8.278 1.00 75.41 H new ATOM 0 HD2 ARG A 10 20.027 -17.413 -9.531 1.00 2.42 H new ATOM 0 HD3 ARG A 10 18.952 -18.262 -10.624 1.00 2.42 H new ATOM 0 HE ARG A 10 18.056 -15.537 -10.085 1.00 25.01 H new ATOM 0 HH11 ARG A 10 20.228 -17.555 -12.003 1.00 32.43 H new ATOM 0 HH12 ARG A 10 20.327 -16.391 -13.327 1.00 32.43 H new ATOM 0 HH21 ARG A 10 18.188 -14.048 -11.791 1.00 60.22 H new ATOM 0 HH22 ARG A 10 19.177 -14.413 -13.208 1.00 60.22 H new ATOM 177 N VAL A 11 14.736 -19.001 -6.922 1.00 3.33 N ATOM 178 CA VAL A 11 14.593 -19.852 -5.747 1.00 5.03 C ATOM 179 C VAL A 11 14.586 -21.326 -6.134 1.00 31.50 C ATOM 180 O VAL A 11 14.083 -21.698 -7.194 1.00 13.32 O ATOM 181 CB VAL A 11 13.301 -19.529 -4.973 1.00 62.03 C ATOM 182 CG1 VAL A 11 13.441 -18.212 -4.226 1.00 41.40 C ATOM 183 CG2 VAL A 11 12.110 -19.491 -5.919 1.00 22.31 C ATOM 0 H VAL A 11 14.145 -19.267 -7.710 1.00 3.33 H new ATOM 0 HA VAL A 11 15.451 -19.652 -5.105 1.00 5.03 H new ATOM 0 HB VAL A 11 13.130 -20.318 -4.240 1.00 62.03 H new ATOM 0 HG11 VAL A 11 12.519 -18.001 -3.685 1.00 41.40 H new ATOM 0 HG12 VAL A 11 14.268 -18.281 -3.520 1.00 41.40 H new ATOM 0 HG13 VAL A 11 13.637 -17.409 -4.937 1.00 41.40 H new ATOM 0 HG21 VAL A 11 11.205 -19.262 -5.356 1.00 22.31 H new ATOM 0 HG22 VAL A 11 12.271 -18.723 -6.676 1.00 22.31 H new ATOM 0 HG23 VAL A 11 11.999 -20.461 -6.404 1.00 22.31 H new ATOM 193 N ALA A 12 15.147 -22.163 -5.267 1.00 61.22 N ATOM 194 CA ALA A 12 15.203 -23.598 -5.517 1.00 72.11 C ATOM 195 C ALA A 12 14.495 -24.376 -4.412 1.00 44.44 C ATOM 196 O ALA A 12 14.818 -24.231 -3.233 1.00 60.12 O ATOM 197 CB ALA A 12 16.648 -24.056 -5.645 1.00 2.21 C ATOM 0 H ALA A 12 15.569 -21.872 -4.385 1.00 61.22 H new ATOM 0 HA ALA A 12 14.686 -23.798 -6.455 1.00 72.11 H new ATOM 0 HB1 ALA A 12 16.674 -25.130 -5.831 1.00 2.21 H new ATOM 0 HB2 ALA A 12 17.124 -23.532 -6.474 1.00 2.21 H new ATOM 0 HB3 ALA A 12 17.183 -23.835 -4.721 1.00 2.21 H new ATOM 203 N VAL A 13 13.528 -25.200 -4.802 1.00 23.54 N ATOM 204 CA VAL A 13 12.775 -26.001 -3.844 1.00 61.40 C ATOM 205 C VAL A 13 13.560 -27.240 -3.426 1.00 0.54 C ATOM 206 O VAL A 13 14.017 -28.012 -4.267 1.00 42.53 O ATOM 207 CB VAL A 13 11.417 -26.440 -4.424 1.00 2.40 C ATOM 208 CG1 VAL A 13 11.617 -27.265 -5.686 1.00 33.22 C ATOM 209 CG2 VAL A 13 10.622 -27.219 -3.387 1.00 40.33 C ATOM 0 H VAL A 13 13.248 -25.330 -5.774 1.00 23.54 H new ATOM 0 HA VAL A 13 12.603 -25.371 -2.971 1.00 61.40 H new ATOM 0 HB VAL A 13 10.849 -25.548 -4.689 1.00 2.40 H new ATOM 0 HG11 VAL A 13 10.647 -27.566 -6.081 1.00 33.22 H new ATOM 0 HG12 VAL A 13 12.143 -26.668 -6.431 1.00 33.22 H new ATOM 0 HG13 VAL A 13 12.204 -28.153 -5.451 1.00 33.22 H new ATOM 0 HG21 VAL A 13 9.666 -27.521 -3.814 1.00 40.33 H new ATOM 0 HG22 VAL A 13 11.183 -28.105 -3.089 1.00 40.33 H new ATOM 0 HG23 VAL A 13 10.447 -26.590 -2.514 1.00 40.33 H new ATOM 219 N GLY A 14 13.712 -27.423 -2.117 1.00 63.14 N ATOM 220 CA GLY A 14 14.442 -28.570 -1.609 1.00 42.23 C ATOM 221 C GLY A 14 14.265 -28.754 -0.115 1.00 64.01 C ATOM 222 O GLY A 14 13.263 -28.324 0.456 1.00 50.03 O ATOM 0 H GLY A 14 13.343 -26.798 -1.400 1.00 63.14 H new ATOM 0 HA2 GLY A 14 14.105 -29.469 -2.125 1.00 42.23 H new ATOM 0 HA3 GLY A 14 15.502 -28.451 -1.834 1.00 42.23 H new ATOM 226 N ARG A 15 15.240 -29.396 0.520 1.00 64.32 N ATOM 227 CA ARG A 15 15.186 -29.639 1.956 1.00 23.14 C ATOM 228 C ARG A 15 16.512 -29.277 2.619 1.00 1.22 C ATOM 229 O ARG A 15 17.582 -29.487 2.047 1.00 54.22 O ATOM 230 CB ARG A 15 14.848 -31.105 2.235 1.00 3.20 C ATOM 231 CG ARG A 15 13.730 -31.290 3.248 1.00 71.15 C ATOM 232 CD ARG A 15 12.498 -31.912 2.609 1.00 20.52 C ATOM 233 NE ARG A 15 12.484 -33.366 2.750 1.00 70.14 N ATOM 234 CZ ARG A 15 12.225 -33.991 3.893 1.00 64.54 C ATOM 235 NH1 ARG A 15 11.960 -33.294 4.989 1.00 43.04 N ATOM 236 NH2 ARG A 15 12.231 -35.318 3.941 1.00 42.52 N ATOM 0 H ARG A 15 16.077 -29.757 0.062 1.00 64.32 H new ATOM 0 HA ARG A 15 14.404 -29.007 2.377 1.00 23.14 H new ATOM 0 HB2 ARG A 15 14.563 -31.588 1.300 1.00 3.20 H new ATOM 0 HB3 ARG A 15 15.742 -31.613 2.597 1.00 3.20 H new ATOM 0 HG2 ARG A 15 14.078 -31.924 4.064 1.00 71.15 H new ATOM 0 HG3 ARG A 15 13.468 -30.326 3.683 1.00 71.15 H new ATOM 0 HD2 ARG A 15 11.602 -31.495 3.068 1.00 20.52 H new ATOM 0 HD3 ARG A 15 12.466 -31.650 1.551 1.00 20.52 H new ATOM 0 HE ARG A 15 12.684 -33.932 1.926 1.00 70.14 H new ATOM 0 HH11 ARG A 15 11.955 -32.275 4.956 1.00 43.04 H new ATOM 0 HH12 ARG A 15 11.762 -33.777 5.865 1.00 43.04 H new ATOM 0 HH21 ARG A 15 12.435 -35.858 3.100 1.00 42.52 H new ATOM 0 HH22 ARG A 15 12.032 -35.797 4.819 1.00 42.52 H new ATOM 250 N ASP A 16 16.433 -28.731 3.828 1.00 65.40 N ATOM 251 CA ASP A 16 17.627 -28.340 4.569 1.00 32.24 C ATOM 252 C ASP A 16 18.009 -29.410 5.588 1.00 14.40 C ATOM 253 O ASP A 16 17.379 -30.465 5.661 1.00 14.40 O ATOM 254 CB ASP A 16 17.399 -27.003 5.276 1.00 35.22 C ATOM 255 CG ASP A 16 16.034 -26.921 5.932 1.00 3.33 C ATOM 256 OD1 ASP A 16 15.931 -27.252 7.132 1.00 5.02 O ATOM 257 OD2 ASP A 16 15.069 -26.524 5.246 1.00 5.01 O ATOM 0 H ASP A 16 15.556 -28.549 4.315 1.00 65.40 H new ATOM 0 HA ASP A 16 18.446 -28.231 3.859 1.00 32.24 H new ATOM 0 HB2 ASP A 16 18.171 -26.858 6.031 1.00 35.22 H new ATOM 0 HB3 ASP A 16 17.502 -26.192 4.555 1.00 35.22 H new ATOM 262 N SER A 17 19.045 -29.130 6.372 1.00 40.11 N ATOM 263 CA SER A 17 19.514 -30.070 7.383 1.00 2.22 C ATOM 264 C SER A 17 18.389 -30.440 8.344 1.00 32.15 C ATOM 265 O SER A 17 18.402 -31.512 8.950 1.00 2.41 O ATOM 266 CB SER A 17 20.688 -29.471 8.161 1.00 61.24 C ATOM 267 OG SER A 17 21.400 -30.475 8.863 1.00 35.51 O ATOM 0 H SER A 17 19.575 -28.260 6.326 1.00 40.11 H new ATOM 0 HA SER A 17 19.847 -30.975 6.875 1.00 2.22 H new ATOM 0 HB2 SER A 17 21.360 -28.958 7.473 1.00 61.24 H new ATOM 0 HB3 SER A 17 20.319 -28.724 8.864 1.00 61.24 H new ATOM 0 HG SER A 17 22.146 -30.067 9.351 1.00 35.51 H new ATOM 273 N SER A 18 17.415 -29.545 8.479 1.00 45.10 N ATOM 274 CA SER A 18 16.284 -29.774 9.369 1.00 35.41 C ATOM 275 C SER A 18 15.155 -30.496 8.638 1.00 3.13 C ATOM 276 O SER A 18 14.683 -31.542 9.080 1.00 25.54 O ATOM 277 CB SER A 18 15.774 -28.447 9.933 1.00 0.25 C ATOM 278 OG SER A 18 15.018 -28.651 11.115 1.00 61.34 O ATOM 0 H SER A 18 17.387 -28.654 7.983 1.00 45.10 H new ATOM 0 HA SER A 18 16.623 -30.404 10.192 1.00 35.41 H new ATOM 0 HB2 SER A 18 16.618 -27.791 10.146 1.00 0.25 H new ATOM 0 HB3 SER A 18 15.159 -27.944 9.187 1.00 0.25 H new ATOM 0 HG SER A 18 14.705 -27.787 11.456 1.00 61.34 H new ATOM 284 N GLY A 19 14.727 -29.927 7.515 1.00 20.13 N ATOM 285 CA GLY A 19 13.658 -30.528 6.740 1.00 34.42 C ATOM 286 C GLY A 19 12.312 -29.885 7.012 1.00 22.30 C ATOM 287 O GLY A 19 11.383 -30.547 7.477 1.00 50.24 O ATOM 0 H GLY A 19 15.102 -29.061 7.128 1.00 20.13 H new ATOM 0 HA2 GLY A 19 13.890 -30.442 5.679 1.00 34.42 H new ATOM 0 HA3 GLY A 19 13.602 -31.592 6.969 1.00 34.42 H new ATOM 291 N CYS A 20 12.207 -28.593 6.724 1.00 2.20 N ATOM 292 CA CYS A 20 10.966 -27.859 6.943 1.00 73.12 C ATOM 293 C CYS A 20 10.352 -27.421 5.617 1.00 45.41 C ATOM 294 O CYS A 20 9.419 -26.617 5.587 1.00 64.33 O ATOM 295 CB CYS A 20 11.219 -26.639 7.829 1.00 24.15 C ATOM 296 SG CYS A 20 11.077 -26.972 9.601 1.00 12.30 S ATOM 0 H CYS A 20 12.966 -28.032 6.338 1.00 2.20 H new ATOM 0 HA CYS A 20 10.264 -28.524 7.446 1.00 73.12 H new ATOM 0 HB2 CYS A 20 12.217 -26.253 7.621 1.00 24.15 H new ATOM 0 HB3 CYS A 20 10.512 -25.855 7.560 1.00 24.15 H new ATOM 0 HG CYS A 20 12.128 -26.514 10.214 1.00 12.30 H new ATOM 302 N THR A 21 10.884 -27.952 4.520 1.00 31.23 N ATOM 303 CA THR A 21 10.391 -27.614 3.191 1.00 24.10 C ATOM 304 C THR A 21 10.439 -26.109 2.953 1.00 22.14 C ATOM 305 O THR A 21 9.444 -25.408 3.140 1.00 73.25 O ATOM 306 CB THR A 21 8.948 -28.109 2.984 1.00 73.50 C ATOM 307 OG1 THR A 21 8.805 -29.435 3.507 1.00 14.45 O ATOM 308 CG2 THR A 21 8.578 -28.099 1.508 1.00 24.13 C ATOM 0 H THR A 21 11.657 -28.618 4.526 1.00 31.23 H new ATOM 0 HA THR A 21 11.044 -28.113 2.476 1.00 24.10 H new ATOM 0 HB THR A 21 8.277 -27.434 3.515 1.00 73.50 H new ATOM 0 HG1 THR A 21 7.884 -29.742 3.373 1.00 14.45 H new ATOM 0 HG21 THR A 21 7.554 -28.453 1.387 1.00 24.13 H new ATOM 0 HG22 THR A 21 8.659 -27.084 1.119 1.00 24.13 H new ATOM 0 HG23 THR A 21 9.255 -28.753 0.959 1.00 24.13 H new ATOM 316 N THR A 22 11.603 -25.616 2.540 1.00 32.32 N ATOM 317 CA THR A 22 11.780 -24.194 2.277 1.00 3.14 C ATOM 318 C THR A 22 12.677 -23.966 1.066 1.00 61.31 C ATOM 319 O THR A 22 13.481 -24.827 0.705 1.00 72.31 O ATOM 320 CB THR A 22 12.387 -23.469 3.494 1.00 74.21 C ATOM 321 OG1 THR A 22 12.958 -22.221 3.086 1.00 30.10 O ATOM 322 CG2 THR A 22 13.452 -24.327 4.159 1.00 21.22 C ATOM 0 H THR A 22 12.437 -26.181 2.381 1.00 32.32 H new ATOM 0 HA THR A 22 10.790 -23.785 2.075 1.00 3.14 H new ATOM 0 HB THR A 22 11.590 -23.285 4.214 1.00 74.21 H new ATOM 0 HG1 THR A 22 13.340 -21.766 3.865 1.00 30.10 H new ATOM 0 HG21 THR A 22 13.866 -23.794 5.015 1.00 21.22 H new ATOM 0 HG22 THR A 22 13.007 -25.264 4.495 1.00 21.22 H new ATOM 0 HG23 THR A 22 14.247 -24.539 3.444 1.00 21.22 H new ATOM 330 N LEU A 23 12.536 -22.802 0.441 1.00 33.44 N ATOM 331 CA LEU A 23 13.335 -22.461 -0.731 1.00 15.14 C ATOM 332 C LEU A 23 14.499 -21.553 -0.350 1.00 2.51 C ATOM 333 O LEU A 23 14.352 -20.649 0.473 1.00 33.33 O ATOM 334 CB LEU A 23 12.463 -21.777 -1.785 1.00 14.43 C ATOM 335 CG LEU A 23 11.363 -22.637 -2.408 1.00 30.32 C ATOM 336 CD1 LEU A 23 10.165 -22.730 -1.476 1.00 21.25 C ATOM 337 CD2 LEU A 23 10.947 -22.075 -3.759 1.00 51.13 C ATOM 0 H LEU A 23 11.876 -22.079 0.726 1.00 33.44 H new ATOM 0 HA LEU A 23 13.739 -23.384 -1.146 1.00 15.14 H new ATOM 0 HB2 LEU A 23 11.999 -20.902 -1.331 1.00 14.43 H new ATOM 0 HB3 LEU A 23 13.110 -21.416 -2.584 1.00 14.43 H new ATOM 0 HG LEU A 23 11.757 -23.642 -2.561 1.00 30.32 H new ATOM 0 HD11 LEU A 23 9.393 -23.346 -1.937 1.00 21.25 H new ATOM 0 HD12 LEU A 23 10.473 -23.180 -0.532 1.00 21.25 H new ATOM 0 HD13 LEU A 23 9.770 -21.731 -1.291 1.00 21.25 H new ATOM 0 HD21 LEU A 23 10.163 -22.700 -4.187 1.00 51.13 H new ATOM 0 HD22 LEU A 23 10.572 -21.060 -3.631 1.00 51.13 H new ATOM 0 HD23 LEU A 23 11.807 -22.062 -4.428 1.00 51.13 H new ATOM 349 N SER A 24 15.656 -21.797 -0.956 1.00 65.13 N ATOM 350 CA SER A 24 16.847 -21.002 -0.680 1.00 23.22 C ATOM 351 C SER A 24 17.040 -19.924 -1.742 1.00 75.11 C ATOM 352 O SER A 24 16.687 -20.115 -2.906 1.00 62.04 O ATOM 353 CB SER A 24 18.084 -21.901 -0.620 1.00 32.13 C ATOM 354 OG SER A 24 19.217 -21.180 -0.169 1.00 2.10 O ATOM 0 H SER A 24 15.794 -22.539 -1.642 1.00 65.13 H new ATOM 0 HA SER A 24 16.712 -20.516 0.286 1.00 23.22 H new ATOM 0 HB2 SER A 24 17.895 -22.741 0.048 1.00 32.13 H new ATOM 0 HB3 SER A 24 18.283 -22.317 -1.608 1.00 32.13 H new ATOM 0 HG SER A 24 19.994 -21.777 -0.138 1.00 2.10 H new ATOM 360 N ILE A 25 17.600 -18.792 -1.332 1.00 5.42 N ATOM 361 CA ILE A 25 17.841 -17.683 -2.247 1.00 72.35 C ATOM 362 C ILE A 25 19.207 -17.806 -2.913 1.00 24.32 C ATOM 363 O ILE A 25 20.206 -18.093 -2.253 1.00 13.02 O ATOM 364 CB ILE A 25 17.755 -16.326 -1.524 1.00 31.52 C ATOM 365 CG1 ILE A 25 17.570 -15.195 -2.537 1.00 10.54 C ATOM 366 CG2 ILE A 25 19.002 -16.094 -0.684 1.00 31.43 C ATOM 367 CD1 ILE A 25 16.121 -14.840 -2.788 1.00 43.52 C ATOM 0 H ILE A 25 17.896 -18.618 -0.371 1.00 5.42 H new ATOM 0 HA ILE A 25 17.063 -17.729 -3.009 1.00 72.35 H new ATOM 0 HB ILE A 25 16.891 -16.338 -0.860 1.00 31.52 H new ATOM 0 HG12 ILE A 25 18.096 -14.309 -2.181 1.00 10.54 H new ATOM 0 HG13 ILE A 25 18.034 -15.483 -3.480 1.00 10.54 H new ATOM 0 HG21 ILE A 25 18.927 -15.131 -0.179 1.00 31.43 H new ATOM 0 HG22 ILE A 25 19.093 -16.887 0.058 1.00 31.43 H new ATOM 0 HG23 ILE A 25 19.881 -16.098 -1.329 1.00 31.43 H new ATOM 0 HD11 ILE A 25 16.066 -14.031 -3.516 1.00 43.52 H new ATOM 0 HD12 ILE A 25 15.594 -15.713 -3.174 1.00 43.52 H new ATOM 0 HD13 ILE A 25 15.658 -14.520 -1.855 1.00 43.52 H new ATOM 379 N GLN A 26 19.244 -17.586 -4.223 1.00 14.20 N ATOM 380 CA GLN A 26 20.488 -17.671 -4.977 1.00 64.04 C ATOM 381 C GLN A 26 20.965 -16.285 -5.399 1.00 24.11 C ATOM 382 O GLN A 26 22.155 -16.072 -5.630 1.00 21.11 O ATOM 383 CB GLN A 26 20.302 -18.556 -6.211 1.00 24.42 C ATOM 384 CG GLN A 26 20.545 -20.033 -5.942 1.00 51.21 C ATOM 385 CD GLN A 26 19.534 -20.926 -6.635 1.00 4.32 C ATOM 386 OE1 GLN A 26 19.901 -21.850 -7.361 1.00 75.12 O ATOM 387 NE2 GLN A 26 18.254 -20.654 -6.413 1.00 54.21 N ATOM 0 H GLN A 26 18.426 -17.347 -4.784 1.00 14.20 H new ATOM 0 HA GLN A 26 21.245 -18.115 -4.331 1.00 64.04 H new ATOM 0 HB2 GLN A 26 19.289 -18.426 -6.592 1.00 24.42 H new ATOM 0 HB3 GLN A 26 20.982 -18.221 -6.994 1.00 24.42 H new ATOM 0 HG2 GLN A 26 21.548 -20.299 -6.276 1.00 51.21 H new ATOM 0 HG3 GLN A 26 20.508 -20.214 -4.868 1.00 51.21 H new ATOM 0 HE21 GLN A 26 17.996 -19.878 -5.804 1.00 54.21 H new ATOM 0 HE22 GLN A 26 17.529 -21.221 -6.852 1.00 54.21 H new ATOM 396 N GLU A 27 20.029 -15.347 -5.497 1.00 51.33 N ATOM 397 CA GLU A 27 20.355 -13.982 -5.892 1.00 51.55 C ATOM 398 C GLU A 27 19.819 -12.978 -4.875 1.00 72.05 C ATOM 399 O GLU A 27 19.390 -13.352 -3.784 1.00 32.31 O ATOM 400 CB GLU A 27 19.780 -13.677 -7.278 1.00 3.15 C ATOM 401 CG GLU A 27 20.133 -14.719 -8.325 1.00 61.05 C ATOM 402 CD GLU A 27 21.628 -14.938 -8.450 1.00 64.11 C ATOM 403 OE1 GLU A 27 22.388 -13.968 -8.248 1.00 3.20 O ATOM 404 OE2 GLU A 27 22.039 -16.079 -8.750 1.00 15.24 O ATOM 0 H GLU A 27 19.039 -15.507 -5.308 1.00 51.33 H new ATOM 0 HA GLU A 27 21.441 -13.891 -5.929 1.00 51.55 H new ATOM 0 HB2 GLU A 27 18.695 -13.602 -7.204 1.00 3.15 H new ATOM 0 HB3 GLU A 27 20.145 -12.704 -7.608 1.00 3.15 H new ATOM 0 HG2 GLU A 27 19.652 -15.663 -8.069 1.00 61.05 H new ATOM 0 HG3 GLU A 27 19.733 -14.408 -9.290 1.00 61.05 H new ATOM 411 N VAL A 28 19.847 -11.700 -5.242 1.00 24.52 N ATOM 412 CA VAL A 28 19.364 -10.642 -4.363 1.00 24.21 C ATOM 413 C VAL A 28 18.011 -10.116 -4.828 1.00 63.12 C ATOM 414 O VAL A 28 17.797 -9.886 -6.019 1.00 64.51 O ATOM 415 CB VAL A 28 20.362 -9.471 -4.294 1.00 2.21 C ATOM 416 CG1 VAL A 28 20.119 -8.634 -3.047 1.00 74.41 C ATOM 417 CG2 VAL A 28 21.793 -9.987 -4.328 1.00 74.35 C ATOM 0 H VAL A 28 20.199 -11.373 -6.142 1.00 24.52 H new ATOM 0 HA VAL A 28 19.259 -11.079 -3.370 1.00 24.21 H new ATOM 0 HB VAL A 28 20.208 -8.835 -5.166 1.00 2.21 H new ATOM 0 HG11 VAL A 28 20.834 -7.812 -3.016 1.00 74.41 H new ATOM 0 HG12 VAL A 28 19.106 -8.233 -3.070 1.00 74.41 H new ATOM 0 HG13 VAL A 28 20.243 -9.257 -2.161 1.00 74.41 H new ATOM 0 HG21 VAL A 28 22.484 -9.146 -4.278 1.00 74.35 H new ATOM 0 HG22 VAL A 28 21.962 -10.647 -3.477 1.00 74.35 H new ATOM 0 HG23 VAL A 28 21.959 -10.539 -5.253 1.00 74.35 H new ATOM 427 N THR A 29 17.098 -9.926 -3.880 1.00 65.25 N ATOM 428 CA THR A 29 15.765 -9.428 -4.193 1.00 0.44 C ATOM 429 C THR A 29 15.482 -8.119 -3.463 1.00 24.42 C ATOM 430 O THR A 29 14.483 -7.453 -3.731 1.00 1.04 O ATOM 431 CB THR A 29 14.680 -10.455 -3.820 1.00 34.12 C ATOM 432 OG1 THR A 29 13.382 -9.927 -4.118 1.00 63.31 O ATOM 433 CG2 THR A 29 14.759 -10.815 -2.344 1.00 2.12 C ATOM 0 H THR A 29 17.258 -10.110 -2.890 1.00 65.25 H new ATOM 0 HA THR A 29 15.737 -9.255 -5.269 1.00 0.44 H new ATOM 0 HB THR A 29 14.849 -11.358 -4.407 1.00 34.12 H new ATOM 0 HG1 THR A 29 13.395 -8.952 -4.019 1.00 63.31 H new ATOM 0 HG21 THR A 29 13.983 -11.542 -2.105 1.00 2.12 H new ATOM 0 HG22 THR A 29 15.737 -11.244 -2.126 1.00 2.12 H new ATOM 0 HG23 THR A 29 14.614 -9.918 -1.742 1.00 2.12 H new ATOM 441 N GLN A 30 16.369 -7.758 -2.541 1.00 30.01 N ATOM 442 CA GLN A 30 16.213 -6.528 -1.773 1.00 24.42 C ATOM 443 C GLN A 30 16.916 -5.363 -2.462 1.00 72.43 C ATOM 444 O GLN A 30 17.119 -4.305 -1.866 1.00 34.22 O ATOM 445 CB GLN A 30 16.770 -6.711 -0.360 1.00 1.12 C ATOM 446 CG GLN A 30 15.752 -7.253 0.630 1.00 14.41 C ATOM 447 CD GLN A 30 15.604 -8.759 0.550 1.00 23.23 C ATOM 448 OE1 GLN A 30 16.725 -9.469 0.622 1.00 33.43 O flip ATOM 449 NE2 GLN A 30 14.496 -9.280 0.425 1.00 14.52 N flip ATOM 0 H GLN A 30 17.202 -8.299 -2.308 1.00 30.01 H new ATOM 0 HA GLN A 30 15.149 -6.301 -1.711 1.00 24.42 H new ATOM 0 HB2 GLN A 30 17.623 -7.389 -0.400 1.00 1.12 H new ATOM 0 HB3 GLN A 30 17.142 -5.752 0.002 1.00 1.12 H new ATOM 0 HG2 GLN A 30 16.050 -6.974 1.641 1.00 14.41 H new ATOM 0 HG3 GLN A 30 14.785 -6.786 0.443 1.00 14.41 H new ATOM 0 HE21 GLN A 30 13.661 -8.697 0.374 1.00 14.52 H new ATOM 0 HE22 GLN A 30 14.413 -10.295 0.373 1.00 14.52 H new ATOM 458 N THR A 31 17.286 -5.564 -3.723 1.00 60.43 N ATOM 459 CA THR A 31 17.967 -4.532 -4.494 1.00 1.32 C ATOM 460 C THR A 31 17.080 -4.010 -5.618 1.00 41.41 C ATOM 461 O THR A 31 17.560 -3.372 -6.556 1.00 23.13 O ATOM 462 CB THR A 31 19.284 -5.057 -5.096 1.00 1.31 C ATOM 463 OG1 THR A 31 19.140 -6.433 -5.463 1.00 64.31 O ATOM 464 CG2 THR A 31 20.429 -4.908 -4.106 1.00 3.43 C ATOM 0 H THR A 31 17.125 -6.433 -4.232 1.00 60.43 H new ATOM 0 HA THR A 31 18.191 -3.718 -3.804 1.00 1.32 H new ATOM 0 HB THR A 31 19.513 -4.467 -5.983 1.00 1.31 H new ATOM 0 HG1 THR A 31 19.981 -6.759 -5.847 1.00 64.31 H new ATOM 0 HG21 THR A 31 21.348 -5.285 -4.554 1.00 3.43 H new ATOM 0 HG22 THR A 31 20.555 -3.856 -3.851 1.00 3.43 H new ATOM 0 HG23 THR A 31 20.205 -5.476 -3.203 1.00 3.43 H new ATOM 472 N TYR A 32 15.784 -4.283 -5.518 1.00 41.02 N ATOM 473 CA TYR A 32 14.830 -3.842 -6.528 1.00 53.24 C ATOM 474 C TYR A 32 13.741 -2.973 -5.907 1.00 33.14 C ATOM 475 O TYR A 32 13.333 -3.189 -4.765 1.00 3.35 O ATOM 476 CB TYR A 32 14.199 -5.048 -7.226 1.00 21.42 C ATOM 477 CG TYR A 32 15.132 -5.747 -8.189 1.00 51.33 C ATOM 478 CD1 TYR A 32 15.972 -6.766 -7.758 1.00 32.11 C ATOM 479 CD2 TYR A 32 15.174 -5.387 -9.531 1.00 2.35 C ATOM 480 CE1 TYR A 32 16.826 -7.407 -8.634 1.00 43.34 C ATOM 481 CE2 TYR A 32 16.024 -6.023 -10.414 1.00 43.43 C ATOM 482 CZ TYR A 32 16.849 -7.032 -9.962 1.00 15.35 C ATOM 483 OH TYR A 32 17.698 -7.667 -10.839 1.00 12.45 O ATOM 0 H TYR A 32 15.370 -4.808 -4.747 1.00 41.02 H new ATOM 0 HA TYR A 32 15.370 -3.246 -7.264 1.00 53.24 H new ATOM 0 HB2 TYR A 32 13.868 -5.762 -6.472 1.00 21.42 H new ATOM 0 HB3 TYR A 32 13.311 -4.721 -7.767 1.00 21.42 H new ATOM 0 HD1 TYR A 32 15.957 -7.062 -6.720 1.00 32.11 H new ATOM 0 HD2 TYR A 32 14.531 -4.597 -9.889 1.00 2.35 H new ATOM 0 HE1 TYR A 32 17.472 -8.197 -8.282 1.00 43.34 H new ATOM 0 HE2 TYR A 32 16.043 -5.732 -11.454 1.00 43.43 H new ATOM 0 HH TYR A 32 17.589 -7.284 -11.735 1.00 12.45 H new ATOM 493 N THR A 33 13.272 -1.989 -6.667 1.00 54.32 N ATOM 494 CA THR A 33 12.230 -1.086 -6.193 1.00 4.01 C ATOM 495 C THR A 33 11.562 -0.359 -7.354 1.00 41.11 C ATOM 496 O THR A 33 12.206 -0.040 -8.353 1.00 20.22 O ATOM 497 CB THR A 33 12.795 -0.046 -5.207 1.00 41.53 C ATOM 498 OG1 THR A 33 13.279 -0.699 -4.029 1.00 32.23 O ATOM 499 CG2 THR A 33 11.731 0.974 -4.828 1.00 23.51 C ATOM 0 H THR A 33 13.597 -1.797 -7.614 1.00 54.32 H new ATOM 0 HA THR A 33 11.490 -1.699 -5.679 1.00 4.01 H new ATOM 0 HB THR A 33 13.618 0.476 -5.696 1.00 41.53 H new ATOM 0 HG1 THR A 33 13.060 -1.653 -4.071 1.00 32.23 H new ATOM 0 HG21 THR A 33 12.153 1.698 -4.131 1.00 23.51 H new ATOM 0 HG22 THR A 33 11.387 1.491 -5.724 1.00 23.51 H new ATOM 0 HG23 THR A 33 10.890 0.465 -4.357 1.00 23.51 H new ATOM 507 N GLY A 34 10.266 -0.098 -7.216 1.00 35.41 N ATOM 508 CA GLY A 34 9.532 0.590 -8.262 1.00 13.25 C ATOM 509 C GLY A 34 8.263 1.241 -7.747 1.00 41.22 C ATOM 510 O GLY A 34 7.885 2.322 -8.198 1.00 43.41 O ATOM 0 H GLY A 34 9.711 -0.351 -6.398 1.00 35.41 H new ATOM 0 HA2 GLY A 34 10.171 1.351 -8.710 1.00 13.25 H new ATOM 0 HA3 GLY A 34 9.279 -0.119 -9.051 1.00 13.25 H new ATOM 514 N SER A 35 7.603 0.581 -6.801 1.00 75.14 N ATOM 515 CA SER A 35 6.366 1.099 -6.229 1.00 54.50 C ATOM 516 C SER A 35 6.603 1.643 -4.823 1.00 44.05 C ATOM 517 O SER A 35 7.393 1.091 -4.058 1.00 40.23 O ATOM 518 CB SER A 35 5.298 0.004 -6.191 1.00 1.23 C ATOM 519 OG SER A 35 4.148 0.387 -6.926 1.00 24.34 O ATOM 0 H SER A 35 7.904 -0.314 -6.414 1.00 75.14 H new ATOM 0 HA SER A 35 6.017 1.915 -6.862 1.00 54.50 H new ATOM 0 HB2 SER A 35 5.705 -0.920 -6.602 1.00 1.23 H new ATOM 0 HB3 SER A 35 5.021 -0.202 -5.157 1.00 1.23 H new ATOM 0 HG SER A 35 3.481 -0.330 -6.888 1.00 24.34 H new ATOM 525 N ASN A 36 5.914 2.729 -4.491 1.00 54.54 N ATOM 526 CA ASN A 36 6.049 3.349 -3.178 1.00 43.43 C ATOM 527 C ASN A 36 7.481 3.822 -2.945 1.00 62.22 C ATOM 528 O ASN A 36 7.958 3.857 -1.811 1.00 55.15 O ATOM 529 CB ASN A 36 5.640 2.364 -2.081 1.00 45.15 C ATOM 530 CG ASN A 36 4.745 3.001 -1.037 1.00 13.13 C ATOM 531 OD1 ASN A 36 3.583 2.622 -0.885 1.00 2.53 O ATOM 532 ND2 ASN A 36 5.282 3.974 -0.311 1.00 3.44 N ATOM 0 H ASN A 36 5.256 3.198 -5.113 1.00 54.54 H new ATOM 0 HA ASN A 36 5.389 4.215 -3.143 1.00 43.43 H new ATOM 0 HB2 ASN A 36 5.122 1.517 -2.531 1.00 45.15 H new ATOM 0 HB3 ASN A 36 6.534 1.971 -1.598 1.00 45.15 H new ATOM 0 HD21 ASN A 36 4.727 4.440 0.407 1.00 3.44 H new ATOM 0 HD22 ASN A 36 6.249 4.256 -0.471 1.00 3.44 H new ATOM 539 N GLY A 37 8.163 4.185 -4.028 1.00 34.03 N ATOM 540 CA GLY A 37 9.533 4.651 -3.920 1.00 73.00 C ATOM 541 C GLY A 37 10.182 4.861 -5.274 1.00 13.13 C ATOM 542 O GLY A 37 10.480 5.991 -5.658 1.00 42.01 O ATOM 0 H GLY A 37 7.791 4.164 -4.977 1.00 34.03 H new ATOM 0 HA2 GLY A 37 9.552 5.587 -3.362 1.00 73.00 H new ATOM 0 HA3 GLY A 37 10.116 3.928 -3.349 1.00 73.00 H new ATOM 546 N GLY A 38 10.402 3.769 -5.999 1.00 25.43 N ATOM 547 CA GLY A 38 11.021 3.860 -7.308 1.00 73.15 C ATOM 548 C GLY A 38 12.516 4.097 -7.229 1.00 13.23 C ATOM 549 O GLY A 38 12.973 5.238 -7.280 1.00 3.33 O ATOM 0 H GLY A 38 10.163 2.823 -5.703 1.00 25.43 H new ATOM 0 HA2 GLY A 38 10.831 2.940 -7.861 1.00 73.15 H new ATOM 0 HA3 GLY A 38 10.557 4.671 -7.870 1.00 73.15 H new ATOM 553 N ALA A 39 13.279 3.017 -7.101 1.00 72.43 N ATOM 554 CA ALA A 39 14.731 3.113 -7.014 1.00 73.44 C ATOM 555 C ALA A 39 15.366 1.732 -6.889 1.00 74.21 C ATOM 556 O ALA A 39 15.749 1.311 -5.797 1.00 40.24 O ATOM 557 CB ALA A 39 15.132 3.989 -5.837 1.00 41.13 C ATOM 0 H ALA A 39 12.916 2.065 -7.055 1.00 72.43 H new ATOM 0 HA ALA A 39 15.096 3.570 -7.934 1.00 73.44 H new ATOM 0 HB1 ALA A 39 16.219 4.052 -5.784 1.00 41.13 H new ATOM 0 HB2 ALA A 39 14.717 4.988 -5.969 1.00 41.13 H new ATOM 0 HB3 ALA A 39 14.748 3.556 -4.913 1.00 41.13 H new ATOM 563 N ASP A 40 15.473 1.031 -8.012 1.00 40.15 N ATOM 564 CA ASP A 40 16.062 -0.303 -8.028 1.00 41.12 C ATOM 565 C ASP A 40 17.585 -0.224 -8.063 1.00 41.15 C ATOM 566 O ASP A 40 18.172 0.211 -9.055 1.00 42.30 O ATOM 567 CB ASP A 40 15.552 -1.095 -9.233 1.00 40.33 C ATOM 568 CG ASP A 40 15.910 -0.437 -10.552 1.00 24.44 C ATOM 569 OD1 ASP A 40 15.419 0.681 -10.810 1.00 53.24 O ATOM 570 OD2 ASP A 40 16.683 -1.041 -11.324 1.00 64.23 O ATOM 0 H ASP A 40 15.159 1.364 -8.924 1.00 40.15 H new ATOM 0 HA ASP A 40 15.764 -0.816 -7.114 1.00 41.12 H new ATOM 0 HB2 ASP A 40 15.971 -2.101 -9.207 1.00 40.33 H new ATOM 0 HB3 ASP A 40 14.469 -1.199 -9.164 1.00 40.33 H new ATOM 575 N LEU A 41 18.220 -0.646 -6.975 1.00 75.34 N ATOM 576 CA LEU A 41 19.675 -0.623 -6.881 1.00 1.32 C ATOM 577 C LEU A 41 20.152 -1.360 -5.634 1.00 33.33 C ATOM 578 O LEU A 41 19.383 -2.075 -4.991 1.00 54.43 O ATOM 579 CB LEU A 41 20.181 0.821 -6.858 1.00 60.32 C ATOM 580 CG LEU A 41 21.449 1.100 -7.666 1.00 2.14 C ATOM 581 CD1 LEU A 41 21.102 1.414 -9.113 1.00 3.24 C ATOM 582 CD2 LEU A 41 22.236 2.244 -7.043 1.00 42.44 C ATOM 0 H LEU A 41 17.750 -1.008 -6.146 1.00 75.34 H new ATOM 0 HA LEU A 41 20.079 -1.130 -7.757 1.00 1.32 H new ATOM 0 HB2 LEU A 41 19.387 1.469 -7.230 1.00 60.32 H new ATOM 0 HB3 LEU A 41 20.365 1.104 -5.822 1.00 60.32 H new ATOM 0 HG LEU A 41 22.072 0.206 -7.650 1.00 2.14 H new ATOM 0 HD11 LEU A 41 22.017 1.610 -9.672 1.00 3.24 H new ATOM 0 HD12 LEU A 41 20.581 0.564 -9.555 1.00 3.24 H new ATOM 0 HD13 LEU A 41 20.459 2.293 -9.150 1.00 3.24 H new ATOM 0 HD21 LEU A 41 23.135 2.429 -7.630 1.00 42.44 H new ATOM 0 HD22 LEU A 41 21.620 3.143 -7.028 1.00 42.44 H new ATOM 0 HD23 LEU A 41 22.517 1.980 -6.023 1.00 42.44 H new ATOM 594 N MET A 42 21.424 -1.180 -5.296 1.00 65.32 N ATOM 595 CA MET A 42 22.002 -1.826 -4.123 1.00 65.35 C ATOM 596 C MET A 42 22.372 -0.795 -3.062 1.00 31.44 C ATOM 597 O MET A 42 23.075 0.174 -3.342 1.00 52.43 O ATOM 598 CB MET A 42 23.240 -2.635 -4.518 1.00 73.01 C ATOM 599 CG MET A 42 23.941 -3.287 -3.338 1.00 21.51 C ATOM 600 SD MET A 42 25.684 -2.838 -3.230 1.00 52.52 S ATOM 601 CE MET A 42 26.410 -4.025 -4.357 1.00 44.23 C ATOM 0 H MET A 42 22.075 -0.592 -5.817 1.00 65.32 H new ATOM 0 HA MET A 42 21.254 -2.500 -3.705 1.00 65.35 H new ATOM 0 HB2 MET A 42 22.947 -3.408 -5.229 1.00 73.01 H new ATOM 0 HB3 MET A 42 23.944 -1.980 -5.031 1.00 73.01 H new ATOM 0 HG2 MET A 42 23.437 -2.997 -2.416 1.00 21.51 H new ATOM 0 HG3 MET A 42 23.853 -4.370 -3.422 1.00 21.51 H new ATOM 0 HE1 MET A 42 27.489 -3.874 -4.399 1.00 44.23 H new ATOM 0 HE2 MET A 42 26.198 -5.035 -4.007 1.00 44.23 H new ATOM 0 HE3 MET A 42 25.986 -3.889 -5.352 1.00 44.23 H new ATOM 611 N GLY A 43 21.893 -1.012 -1.840 1.00 74.14 N ATOM 612 CA GLY A 43 22.183 -0.093 -0.756 1.00 1.14 C ATOM 613 C GLY A 43 21.565 -0.531 0.557 1.00 34.10 C ATOM 614 O GLY A 43 22.259 -0.926 1.494 1.00 40.30 O ATOM 0 H GLY A 43 21.309 -1.808 -1.582 1.00 74.14 H new ATOM 0 HA2 GLY A 43 23.263 -0.008 -0.635 1.00 1.14 H new ATOM 0 HA3 GLY A 43 21.812 0.899 -1.016 1.00 1.14 H new ATOM 618 N PRO A 44 20.227 -0.463 0.638 1.00 44.24 N ATOM 619 CA PRO A 44 19.486 -0.851 1.841 1.00 1.33 C ATOM 620 C PRO A 44 19.522 -2.356 2.084 1.00 12.43 C ATOM 621 O PRO A 44 19.320 -2.817 3.207 1.00 63.50 O ATOM 622 CB PRO A 44 18.057 -0.391 1.541 1.00 22.13 C ATOM 623 CG PRO A 44 17.967 -0.380 0.054 1.00 3.53 C ATOM 624 CD PRO A 44 19.336 -0.002 -0.440 1.00 63.13 C ATOM 0 HA PRO A 44 19.911 -0.408 2.742 1.00 1.33 H new ATOM 0 HB2 PRO A 44 17.323 -1.069 1.977 1.00 22.13 H new ATOM 0 HB3 PRO A 44 17.864 0.598 1.957 1.00 22.13 H new ATOM 0 HG2 PRO A 44 17.671 -1.358 -0.326 1.00 3.53 H new ATOM 0 HG3 PRO A 44 17.218 0.335 -0.287 1.00 3.53 H new ATOM 0 HD2 PRO A 44 19.569 -0.486 -1.388 1.00 63.13 H new ATOM 0 HD3 PRO A 44 19.423 1.073 -0.601 1.00 63.13 H new ATOM 632 N ALA A 45 19.780 -3.115 1.025 1.00 73.51 N ATOM 633 CA ALA A 45 19.844 -4.568 1.124 1.00 22.33 C ATOM 634 C ALA A 45 20.998 -5.007 2.020 1.00 42.44 C ATOM 635 O ALA A 45 20.828 -5.851 2.899 1.00 25.32 O ATOM 636 CB ALA A 45 19.983 -5.186 -0.259 1.00 72.31 C ATOM 0 H ALA A 45 19.948 -2.748 0.088 1.00 73.51 H new ATOM 0 HA ALA A 45 18.915 -4.918 1.574 1.00 22.33 H new ATOM 0 HB1 ALA A 45 20.030 -6.271 -0.170 1.00 72.31 H new ATOM 0 HB2 ALA A 45 19.124 -4.909 -0.869 1.00 72.31 H new ATOM 0 HB3 ALA A 45 20.896 -4.821 -0.730 1.00 72.31 H new ATOM 642 N PHE A 46 22.172 -4.428 1.790 1.00 41.13 N ATOM 643 CA PHE A 46 23.355 -4.760 2.575 1.00 62.42 C ATOM 644 C PHE A 46 23.286 -4.122 3.959 1.00 4.10 C ATOM 645 O PHE A 46 24.085 -4.438 4.840 1.00 33.25 O ATOM 646 CB PHE A 46 24.621 -4.298 1.850 1.00 71.21 C ATOM 647 CG PHE A 46 25.663 -5.372 1.720 1.00 2.21 C ATOM 648 CD1 PHE A 46 26.844 -5.301 2.442 1.00 53.30 C ATOM 649 CD2 PHE A 46 25.463 -6.452 0.876 1.00 53.13 C ATOM 650 CE1 PHE A 46 27.805 -6.287 2.325 1.00 31.12 C ATOM 651 CE2 PHE A 46 26.420 -7.442 0.755 1.00 10.51 C ATOM 652 CZ PHE A 46 27.593 -7.358 1.480 1.00 70.43 C ATOM 0 H PHE A 46 22.329 -3.727 1.066 1.00 41.13 H new ATOM 0 HA PHE A 46 23.388 -5.843 2.695 1.00 62.42 H new ATOM 0 HB2 PHE A 46 24.351 -3.942 0.856 1.00 71.21 H new ATOM 0 HB3 PHE A 46 25.049 -3.451 2.386 1.00 71.21 H new ATOM 0 HD1 PHE A 46 27.015 -4.465 3.104 1.00 53.30 H new ATOM 0 HD2 PHE A 46 24.548 -6.521 0.306 1.00 53.13 H new ATOM 0 HE1 PHE A 46 28.721 -6.220 2.894 1.00 31.12 H new ATOM 0 HE2 PHE A 46 26.251 -8.280 0.095 1.00 10.51 H new ATOM 0 HZ PHE A 46 28.343 -8.129 1.386 1.00 70.43 H new ATOM 662 N ALA A 47 22.327 -3.221 4.141 1.00 13.24 N ATOM 663 CA ALA A 47 22.152 -2.538 5.418 1.00 60.55 C ATOM 664 C ALA A 47 21.765 -3.522 6.517 1.00 3.53 C ATOM 665 O ALA A 47 22.183 -3.378 7.666 1.00 61.21 O ATOM 666 CB ALA A 47 21.102 -1.445 5.292 1.00 40.53 C ATOM 0 H ALA A 47 21.659 -2.946 3.421 1.00 13.24 H new ATOM 0 HA ALA A 47 23.103 -2.082 5.692 1.00 60.55 H new ATOM 0 HB1 ALA A 47 20.982 -0.944 6.252 1.00 40.53 H new ATOM 0 HB2 ALA A 47 21.419 -0.721 4.542 1.00 40.53 H new ATOM 0 HB3 ALA A 47 20.152 -1.886 4.992 1.00 40.53 H new ATOM 672 N ALA A 48 20.965 -4.519 6.158 1.00 75.42 N ATOM 673 CA ALA A 48 20.523 -5.527 7.114 1.00 13.21 C ATOM 674 C ALA A 48 21.400 -6.772 7.044 1.00 30.12 C ATOM 675 O ALA A 48 21.475 -7.545 7.999 1.00 42.33 O ATOM 676 CB ALA A 48 19.067 -5.890 6.863 1.00 14.25 C ATOM 0 H ALA A 48 20.609 -4.651 5.211 1.00 75.42 H new ATOM 0 HA ALA A 48 20.614 -5.107 8.116 1.00 13.21 H new ATOM 0 HB1 ALA A 48 18.750 -6.644 7.584 1.00 14.25 H new ATOM 0 HB2 ALA A 48 18.446 -5.001 6.972 1.00 14.25 H new ATOM 0 HB3 ALA A 48 18.960 -6.286 5.853 1.00 14.25 H new ATOM 682 N GLY A 49 22.062 -6.961 5.907 1.00 71.34 N ATOM 683 CA GLY A 49 22.925 -8.115 5.733 1.00 35.44 C ATOM 684 C GLY A 49 22.331 -9.147 4.795 1.00 33.54 C ATOM 685 O GLY A 49 22.771 -10.297 4.766 1.00 24.41 O ATOM 0 H GLY A 49 22.016 -6.335 5.103 1.00 71.34 H new ATOM 0 HA2 GLY A 49 23.890 -7.788 5.345 1.00 35.44 H new ATOM 0 HA3 GLY A 49 23.111 -8.575 6.703 1.00 35.44 H new ATOM 689 N LEU A 50 21.327 -8.738 4.027 1.00 31.45 N ATOM 690 CA LEU A 50 20.670 -9.637 3.084 1.00 11.33 C ATOM 691 C LEU A 50 21.613 -10.018 1.948 1.00 24.32 C ATOM 692 O LEU A 50 21.976 -9.181 1.122 1.00 63.12 O ATOM 693 CB LEU A 50 19.410 -8.980 2.517 1.00 30.14 C ATOM 694 CG LEU A 50 18.459 -8.358 3.540 1.00 11.05 C ATOM 695 CD1 LEU A 50 18.148 -6.916 3.172 1.00 54.31 C ATOM 696 CD2 LEU A 50 17.178 -9.173 3.642 1.00 12.12 C ATOM 0 H LEU A 50 20.950 -7.790 4.039 1.00 31.45 H new ATOM 0 HA LEU A 50 20.390 -10.544 3.619 1.00 11.33 H new ATOM 0 HB2 LEU A 50 19.714 -8.204 1.814 1.00 30.14 H new ATOM 0 HB3 LEU A 50 18.859 -9.728 1.947 1.00 30.14 H new ATOM 0 HG LEU A 50 18.949 -8.365 4.514 1.00 11.05 H new ATOM 0 HD11 LEU A 50 17.470 -6.490 3.911 1.00 54.31 H new ATOM 0 HD12 LEU A 50 19.072 -6.338 3.152 1.00 54.31 H new ATOM 0 HD13 LEU A 50 17.679 -6.885 2.189 1.00 54.31 H new ATOM 0 HD21 LEU A 50 16.513 -8.716 4.375 1.00 12.12 H new ATOM 0 HD22 LEU A 50 16.685 -9.199 2.670 1.00 12.12 H new ATOM 0 HD23 LEU A 50 17.417 -10.190 3.954 1.00 12.12 H new ATOM 708 N ARG A 51 22.005 -11.288 1.912 1.00 1.24 N ATOM 709 CA ARG A 51 22.905 -11.781 0.877 1.00 5.40 C ATOM 710 C ARG A 51 22.524 -13.196 0.454 1.00 61.14 C ATOM 711 O ARG A 51 21.873 -13.925 1.202 1.00 21.20 O ATOM 712 CB ARG A 51 24.351 -11.758 1.376 1.00 65.13 C ATOM 713 CG ARG A 51 25.254 -10.825 0.585 1.00 20.20 C ATOM 714 CD ARG A 51 26.057 -11.581 -0.462 1.00 73.40 C ATOM 715 NE ARG A 51 27.358 -10.965 -0.705 1.00 0.42 N ATOM 716 CZ ARG A 51 28.345 -10.957 0.184 1.00 12.44 C ATOM 717 NH1 ARG A 51 28.179 -11.529 1.369 1.00 63.44 N ATOM 718 NH2 ARG A 51 29.500 -10.375 -0.110 1.00 65.05 N ATOM 0 H ARG A 51 21.713 -11.994 2.588 1.00 1.24 H new ATOM 0 HA ARG A 51 22.816 -11.125 0.011 1.00 5.40 H new ATOM 0 HB2 ARG A 51 24.360 -11.457 2.424 1.00 65.13 H new ATOM 0 HB3 ARG A 51 24.758 -12.768 1.331 1.00 65.13 H new ATOM 0 HG2 ARG A 51 24.650 -10.059 0.099 1.00 20.20 H new ATOM 0 HG3 ARG A 51 25.933 -10.311 1.265 1.00 20.20 H new ATOM 0 HD2 ARG A 51 26.199 -12.611 -0.135 1.00 73.40 H new ATOM 0 HD3 ARG A 51 25.493 -11.617 -1.394 1.00 73.40 H new ATOM 0 HE ARG A 51 27.518 -10.516 -1.607 1.00 0.42 H new ATOM 0 HH11 ARG A 51 27.292 -11.976 1.600 1.00 63.44 H new ATOM 0 HH12 ARG A 51 28.938 -11.521 2.050 1.00 63.44 H new ATOM 0 HH21 ARG A 51 29.631 -9.933 -1.020 1.00 65.05 H new ATOM 0 HH22 ARG A 51 30.257 -10.370 0.574 1.00 65.05 H new ATOM 732 N VAL A 52 22.934 -13.578 -0.752 1.00 34.30 N ATOM 733 CA VAL A 52 22.636 -14.906 -1.275 1.00 74.12 C ATOM 734 C VAL A 52 23.124 -15.994 -0.325 1.00 12.43 C ATOM 735 O VAL A 52 24.257 -15.952 0.153 1.00 33.31 O ATOM 736 CB VAL A 52 23.279 -15.122 -2.658 1.00 53.21 C ATOM 737 CG1 VAL A 52 22.799 -14.064 -3.641 1.00 22.42 C ATOM 738 CG2 VAL A 52 24.796 -15.110 -2.547 1.00 52.34 C ATOM 0 H VAL A 52 23.473 -12.987 -1.385 1.00 34.30 H new ATOM 0 HA VAL A 52 21.552 -14.972 -1.372 1.00 74.12 H new ATOM 0 HB VAL A 52 22.973 -16.098 -3.034 1.00 53.21 H new ATOM 0 HG11 VAL A 52 23.264 -14.232 -4.613 1.00 22.42 H new ATOM 0 HG12 VAL A 52 21.715 -14.126 -3.741 1.00 22.42 H new ATOM 0 HG13 VAL A 52 23.074 -13.075 -3.274 1.00 22.42 H new ATOM 0 HG21 VAL A 52 25.234 -15.264 -3.533 1.00 52.34 H new ATOM 0 HG22 VAL A 52 25.124 -14.149 -2.150 1.00 52.34 H new ATOM 0 HG23 VAL A 52 25.118 -15.908 -1.878 1.00 52.34 H new ATOM 748 N GLY A 53 22.260 -16.968 -0.055 1.00 11.33 N ATOM 749 CA GLY A 53 22.621 -18.054 0.838 1.00 44.54 C ATOM 750 C GLY A 53 21.619 -18.241 1.959 1.00 75.14 C ATOM 751 O GLY A 53 21.497 -19.332 2.516 1.00 71.22 O ATOM 0 H GLY A 53 21.317 -17.024 -0.439 1.00 11.33 H new ATOM 0 HA2 GLY A 53 22.699 -18.979 0.267 1.00 44.54 H new ATOM 0 HA3 GLY A 53 23.605 -17.858 1.264 1.00 44.54 H new ATOM 755 N ASP A 54 20.900 -17.175 2.291 1.00 14.24 N ATOM 756 CA ASP A 54 19.902 -17.226 3.354 1.00 23.42 C ATOM 757 C ASP A 54 18.510 -17.470 2.781 1.00 14.52 C ATOM 758 O ASP A 54 18.026 -16.698 1.954 1.00 51.15 O ATOM 759 CB ASP A 54 19.916 -15.926 4.159 1.00 22.04 C ATOM 760 CG ASP A 54 21.113 -15.831 5.086 1.00 73.34 C ATOM 761 OD1 ASP A 54 22.002 -16.704 4.997 1.00 4.42 O ATOM 762 OD2 ASP A 54 21.160 -14.885 5.898 1.00 11.52 O ATOM 0 H ASP A 54 20.989 -16.265 1.840 1.00 14.24 H new ATOM 0 HA ASP A 54 20.153 -18.055 4.015 1.00 23.42 H new ATOM 0 HB2 ASP A 54 19.923 -15.078 3.474 1.00 22.04 H new ATOM 0 HB3 ASP A 54 19.000 -15.855 4.745 1.00 22.04 H new ATOM 767 N GLN A 55 17.872 -18.547 3.227 1.00 73.01 N ATOM 768 CA GLN A 55 16.535 -18.892 2.757 1.00 64.25 C ATOM 769 C GLN A 55 15.491 -17.947 3.342 1.00 22.54 C ATOM 770 O GLN A 55 15.316 -17.877 4.560 1.00 51.14 O ATOM 771 CB GLN A 55 16.199 -20.337 3.128 1.00 75.31 C ATOM 772 CG GLN A 55 17.350 -21.306 2.911 1.00 42.52 C ATOM 773 CD GLN A 55 16.972 -22.741 3.219 1.00 51.12 C ATOM 774 OE1 GLN A 55 17.374 -23.295 4.242 1.00 21.02 O ATOM 775 NE2 GLN A 55 16.194 -23.352 2.333 1.00 40.44 N ATOM 0 H GLN A 55 18.259 -19.196 3.913 1.00 73.01 H new ATOM 0 HA GLN A 55 16.521 -18.791 1.672 1.00 64.25 H new ATOM 0 HB2 GLN A 55 15.897 -20.373 4.175 1.00 75.31 H new ATOM 0 HB3 GLN A 55 15.343 -20.665 2.538 1.00 75.31 H new ATOM 0 HG2 GLN A 55 17.687 -21.237 1.877 1.00 42.52 H new ATOM 0 HG3 GLN A 55 18.190 -21.013 3.540 1.00 42.52 H new ATOM 0 HE21 GLN A 55 15.884 -22.855 1.498 1.00 40.44 H new ATOM 0 HE22 GLN A 55 15.907 -24.318 2.487 1.00 40.44 H new ATOM 784 N LEU A 56 14.800 -17.223 2.469 1.00 3.25 N ATOM 785 CA LEU A 56 13.773 -16.281 2.900 1.00 33.22 C ATOM 786 C LEU A 56 12.461 -17.003 3.193 1.00 40.35 C ATOM 787 O LEU A 56 11.783 -17.475 2.280 1.00 41.33 O ATOM 788 CB LEU A 56 13.552 -15.212 1.829 1.00 11.41 C ATOM 789 CG LEU A 56 14.561 -14.063 1.809 1.00 64.40 C ATOM 790 CD1 LEU A 56 14.566 -13.334 3.143 1.00 5.42 C ATOM 791 CD2 LEU A 56 15.953 -14.582 1.478 1.00 60.44 C ATOM 0 H LEU A 56 14.932 -17.270 1.459 1.00 3.25 H new ATOM 0 HA LEU A 56 14.116 -15.802 3.817 1.00 33.22 H new ATOM 0 HB2 LEU A 56 13.564 -15.696 0.853 1.00 11.41 H new ATOM 0 HB3 LEU A 56 12.555 -14.792 1.964 1.00 11.41 H new ATOM 0 HG LEU A 56 14.264 -13.357 1.034 1.00 64.40 H new ATOM 0 HD11 LEU A 56 15.290 -12.520 3.110 1.00 5.42 H new ATOM 0 HD12 LEU A 56 13.573 -12.929 3.340 1.00 5.42 H new ATOM 0 HD13 LEU A 56 14.838 -14.030 3.937 1.00 5.42 H new ATOM 0 HD21 LEU A 56 16.658 -13.751 1.468 1.00 60.44 H new ATOM 0 HD22 LEU A 56 16.259 -15.309 2.231 1.00 60.44 H new ATOM 0 HD23 LEU A 56 15.940 -15.059 0.498 1.00 60.44 H new ATOM 803 N VAL A 57 12.108 -17.083 4.472 1.00 51.14 N ATOM 804 CA VAL A 57 10.876 -17.744 4.884 1.00 14.35 C ATOM 805 C VAL A 57 9.796 -16.725 5.233 1.00 71.34 C ATOM 806 O VAL A 57 8.705 -16.742 4.662 1.00 43.03 O ATOM 807 CB VAL A 57 11.111 -18.662 6.099 1.00 53.33 C ATOM 808 CG1 VAL A 57 9.804 -19.297 6.549 1.00 61.44 C ATOM 809 CG2 VAL A 57 12.145 -19.727 5.769 1.00 45.35 C ATOM 0 H VAL A 57 12.658 -16.698 5.240 1.00 51.14 H new ATOM 0 HA VAL A 57 10.543 -18.348 4.040 1.00 14.35 H new ATOM 0 HB VAL A 57 11.495 -18.058 6.921 1.00 53.33 H new ATOM 0 HG11 VAL A 57 9.990 -19.942 7.408 1.00 61.44 H new ATOM 0 HG12 VAL A 57 9.097 -18.516 6.828 1.00 61.44 H new ATOM 0 HG13 VAL A 57 9.388 -19.889 5.734 1.00 61.44 H new ATOM 0 HG21 VAL A 57 12.299 -20.367 6.638 1.00 45.35 H new ATOM 0 HG22 VAL A 57 11.792 -20.330 4.933 1.00 45.35 H new ATOM 0 HG23 VAL A 57 13.087 -19.249 5.499 1.00 45.35 H new ATOM 819 N ARG A 58 10.107 -15.839 6.173 1.00 63.02 N ATOM 820 CA ARG A 58 9.163 -14.813 6.598 1.00 42.31 C ATOM 821 C ARG A 58 7.824 -15.433 6.987 1.00 44.02 C ATOM 822 O ARG A 58 6.776 -14.798 6.869 1.00 43.30 O ATOM 823 CB ARG A 58 8.957 -13.786 5.483 1.00 50.11 C ATOM 824 CG ARG A 58 8.355 -12.476 5.965 1.00 71.13 C ATOM 825 CD ARG A 58 9.223 -11.822 7.029 1.00 74.23 C ATOM 826 NE ARG A 58 8.661 -11.982 8.367 1.00 11.13 N ATOM 827 CZ ARG A 58 7.540 -11.393 8.769 1.00 1.10 C ATOM 828 NH1 ARG A 58 6.865 -10.610 7.939 1.00 14.13 N ATOM 829 NH2 ARG A 58 7.093 -11.587 10.003 1.00 74.20 N ATOM 0 H ARG A 58 11.006 -15.811 6.655 1.00 63.02 H new ATOM 0 HA ARG A 58 9.579 -14.312 7.472 1.00 42.31 H new ATOM 0 HB2 ARG A 58 9.916 -13.582 5.007 1.00 50.11 H new ATOM 0 HB3 ARG A 58 8.308 -14.216 4.720 1.00 50.11 H new ATOM 0 HG2 ARG A 58 8.238 -11.796 5.121 1.00 71.13 H new ATOM 0 HG3 ARG A 58 7.359 -12.659 6.368 1.00 71.13 H new ATOM 0 HD2 ARG A 58 10.222 -12.258 7.001 1.00 74.23 H new ATOM 0 HD3 ARG A 58 9.332 -10.761 6.806 1.00 74.23 H new ATOM 0 HE ARG A 58 9.156 -12.579 9.030 1.00 11.13 H new ATOM 0 HH11 ARG A 58 7.206 -10.459 6.990 1.00 14.13 H new ATOM 0 HH12 ARG A 58 6.005 -10.159 8.250 1.00 14.13 H new ATOM 0 HH21 ARG A 58 7.610 -12.189 10.644 1.00 74.20 H new ATOM 0 HH22 ARG A 58 6.232 -11.134 10.311 1.00 74.20 H new ATOM 843 N PHE A 59 7.867 -16.678 7.450 1.00 2.21 N ATOM 844 CA PHE A 59 6.658 -17.385 7.855 1.00 52.11 C ATOM 845 C PHE A 59 6.925 -18.267 9.071 1.00 71.54 C ATOM 846 O PHE A 59 8.010 -18.829 9.217 1.00 70.45 O ATOM 847 CB PHE A 59 6.128 -18.236 6.699 1.00 62.20 C ATOM 848 CG PHE A 59 5.534 -17.427 5.582 1.00 61.03 C ATOM 849 CD1 PHE A 59 4.592 -16.446 5.844 1.00 2.54 C ATOM 850 CD2 PHE A 59 5.917 -17.648 4.269 1.00 63.43 C ATOM 851 CE1 PHE A 59 4.044 -15.699 4.819 1.00 53.24 C ATOM 852 CE2 PHE A 59 5.373 -16.905 3.239 1.00 53.40 C ATOM 853 CZ PHE A 59 4.434 -15.930 3.514 1.00 11.40 C ATOM 0 H PHE A 59 8.726 -17.218 7.554 1.00 2.21 H new ATOM 0 HA PHE A 59 5.906 -16.643 8.125 1.00 52.11 H new ATOM 0 HB2 PHE A 59 6.941 -18.844 6.304 1.00 62.20 H new ATOM 0 HB3 PHE A 59 5.373 -18.923 7.081 1.00 62.20 H new ATOM 0 HD1 PHE A 59 4.282 -16.263 6.862 1.00 2.54 H new ATOM 0 HD2 PHE A 59 6.650 -18.410 4.048 1.00 63.43 H new ATOM 0 HE1 PHE A 59 3.312 -14.936 5.038 1.00 53.24 H new ATOM 0 HE2 PHE A 59 5.682 -17.086 2.220 1.00 53.40 H new ATOM 0 HZ PHE A 59 4.006 -15.349 2.710 1.00 11.40 H new ATOM 863 N ALA A 60 5.927 -18.383 9.941 1.00 61.52 N ATOM 864 CA ALA A 60 6.053 -19.198 11.143 1.00 72.00 C ATOM 865 C ALA A 60 6.011 -20.685 10.806 1.00 44.43 C ATOM 866 O ALA A 60 4.953 -21.233 10.502 1.00 52.10 O ATOM 867 CB ALA A 60 4.953 -18.849 12.134 1.00 12.14 C ATOM 0 H ALA A 60 5.023 -17.923 9.836 1.00 61.52 H new ATOM 0 HA ALA A 60 7.020 -18.983 11.598 1.00 72.00 H new ATOM 0 HB1 ALA A 60 5.059 -19.465 13.027 1.00 12.14 H new ATOM 0 HB2 ALA A 60 5.030 -17.797 12.408 1.00 12.14 H new ATOM 0 HB3 ALA A 60 3.980 -19.035 11.678 1.00 12.14 H new ATOM 873 N GLY A 61 7.172 -21.332 10.861 1.00 55.04 N ATOM 874 CA GLY A 61 7.245 -22.749 10.557 1.00 22.35 C ATOM 875 C GLY A 61 8.444 -23.097 9.697 1.00 0.43 C ATOM 876 O GLY A 61 8.694 -24.268 9.413 1.00 24.22 O ATOM 0 H GLY A 61 8.062 -20.900 11.110 1.00 55.04 H new ATOM 0 HA2 GLY A 61 7.293 -23.315 11.487 1.00 22.35 H new ATOM 0 HA3 GLY A 61 6.333 -23.055 10.044 1.00 22.35 H new ATOM 880 N TYR A 62 9.186 -22.077 9.280 1.00 0.12 N ATOM 881 CA TYR A 62 10.363 -22.280 8.443 1.00 12.15 C ATOM 882 C TYR A 62 9.985 -22.944 7.123 1.00 35.11 C ATOM 883 O TYR A 62 10.711 -23.797 6.612 1.00 61.00 O ATOM 884 CB TYR A 62 11.396 -23.134 9.179 1.00 24.33 C ATOM 885 CG TYR A 62 11.547 -22.778 10.641 1.00 53.31 C ATOM 886 CD1 TYR A 62 11.555 -23.764 11.619 1.00 25.34 C ATOM 887 CD2 TYR A 62 11.679 -21.455 11.044 1.00 50.43 C ATOM 888 CE1 TYR A 62 11.692 -23.443 12.956 1.00 31.42 C ATOM 889 CE2 TYR A 62 11.817 -21.125 12.378 1.00 44.41 C ATOM 890 CZ TYR A 62 11.823 -22.122 13.330 1.00 20.33 C ATOM 891 OH TYR A 62 11.959 -21.797 14.661 1.00 62.44 O ATOM 0 H TYR A 62 8.993 -21.102 9.508 1.00 0.12 H new ATOM 0 HA TYR A 62 10.796 -21.304 8.226 1.00 12.15 H new ATOM 0 HB2 TYR A 62 11.112 -24.183 9.097 1.00 24.33 H new ATOM 0 HB3 TYR A 62 12.362 -23.026 8.686 1.00 24.33 H new ATOM 0 HD1 TYR A 62 11.452 -24.799 11.330 1.00 25.34 H new ATOM 0 HD2 TYR A 62 11.674 -20.671 10.301 1.00 50.43 H new ATOM 0 HE1 TYR A 62 11.696 -24.222 13.704 1.00 31.42 H new ATOM 0 HE2 TYR A 62 11.920 -20.091 12.674 1.00 44.41 H new ATOM 0 HH TYR A 62 12.184 -20.847 14.744 1.00 62.44 H new ATOM 901 N THR A 63 8.841 -22.546 6.574 1.00 31.13 N ATOM 902 CA THR A 63 8.364 -23.102 5.314 1.00 11.51 C ATOM 903 C THR A 63 8.181 -22.010 4.266 1.00 5.31 C ATOM 904 O THR A 63 7.949 -20.848 4.600 1.00 51.35 O ATOM 905 CB THR A 63 7.029 -23.848 5.499 1.00 64.34 C ATOM 906 OG1 THR A 63 6.463 -24.163 4.221 1.00 1.55 O ATOM 907 CG2 THR A 63 6.047 -23.010 6.302 1.00 12.03 C ATOM 0 H THR A 63 8.228 -21.841 6.983 1.00 31.13 H new ATOM 0 HA THR A 63 9.122 -23.807 4.972 1.00 11.51 H new ATOM 0 HB THR A 63 7.226 -24.770 6.046 1.00 64.34 H new ATOM 0 HG1 THR A 63 5.615 -24.639 4.347 1.00 1.55 H new ATOM 0 HG21 THR A 63 5.112 -23.558 6.419 1.00 12.03 H new ATOM 0 HG22 THR A 63 6.469 -22.797 7.284 1.00 12.03 H new ATOM 0 HG23 THR A 63 5.855 -22.073 5.779 1.00 12.03 H new ATOM 915 N VAL A 64 8.288 -22.390 2.997 1.00 73.41 N ATOM 916 CA VAL A 64 8.133 -21.443 1.899 1.00 35.42 C ATOM 917 C VAL A 64 7.428 -22.090 0.711 1.00 4.44 C ATOM 918 O VAL A 64 7.467 -23.308 0.540 1.00 71.52 O ATOM 919 CB VAL A 64 9.494 -20.892 1.437 1.00 63.02 C ATOM 920 CG1 VAL A 64 9.302 -19.699 0.513 1.00 72.11 C ATOM 921 CG2 VAL A 64 10.351 -20.515 2.636 1.00 61.30 C ATOM 0 H VAL A 64 8.482 -23.348 2.704 1.00 73.41 H new ATOM 0 HA VAL A 64 7.525 -20.620 2.274 1.00 35.42 H new ATOM 0 HB VAL A 64 10.012 -21.673 0.880 1.00 63.02 H new ATOM 0 HG11 VAL A 64 10.275 -19.323 0.197 1.00 72.11 H new ATOM 0 HG12 VAL A 64 8.729 -20.005 -0.362 1.00 72.11 H new ATOM 0 HG13 VAL A 64 8.764 -18.912 1.042 1.00 72.11 H new ATOM 0 HG21 VAL A 64 11.309 -20.127 2.291 1.00 61.30 H new ATOM 0 HG22 VAL A 64 9.841 -19.751 3.222 1.00 61.30 H new ATOM 0 HG23 VAL A 64 10.518 -21.396 3.255 1.00 61.30 H new ATOM 931 N THR A 65 6.784 -21.264 -0.108 1.00 65.45 N ATOM 932 CA THR A 65 6.071 -21.755 -1.281 1.00 15.34 C ATOM 933 C THR A 65 6.899 -21.568 -2.547 1.00 32.43 C ATOM 934 O THR A 65 7.296 -22.541 -3.187 1.00 40.25 O ATOM 935 CB THR A 65 4.718 -21.038 -1.455 1.00 43.02 C ATOM 936 OG1 THR A 65 4.087 -20.866 -0.182 1.00 32.14 O ATOM 937 CG2 THR A 65 3.803 -21.827 -2.379 1.00 33.44 C ATOM 0 H THR A 65 6.742 -20.253 0.019 1.00 65.45 H new ATOM 0 HA THR A 65 5.893 -22.819 -1.121 1.00 15.34 H new ATOM 0 HB THR A 65 4.904 -20.061 -1.902 1.00 43.02 H new ATOM 0 HG1 THR A 65 3.229 -20.408 -0.301 1.00 32.14 H new ATOM 0 HG21 THR A 65 2.854 -21.302 -2.487 1.00 33.44 H new ATOM 0 HG22 THR A 65 4.274 -21.930 -3.357 1.00 33.44 H new ATOM 0 HG23 THR A 65 3.624 -22.816 -1.957 1.00 33.44 H new ATOM 945 N GLU A 66 7.156 -20.313 -2.901 1.00 20.12 N ATOM 946 CA GLU A 66 7.938 -20.001 -4.091 1.00 53.14 C ATOM 947 C GLU A 66 8.120 -18.493 -4.243 1.00 32.31 C ATOM 948 O GLU A 66 7.697 -17.716 -3.386 1.00 32.10 O ATOM 949 CB GLU A 66 7.259 -20.571 -5.338 1.00 71.54 C ATOM 950 CG GLU A 66 5.795 -20.186 -5.465 1.00 13.14 C ATOM 951 CD GLU A 66 5.189 -20.620 -6.785 1.00 33.50 C ATOM 952 OE1 GLU A 66 5.498 -19.987 -7.816 1.00 62.20 O ATOM 953 OE2 GLU A 66 4.405 -21.593 -6.788 1.00 4.25 O ATOM 0 H GLU A 66 6.834 -19.497 -2.381 1.00 20.12 H new ATOM 0 HA GLU A 66 8.921 -20.459 -3.979 1.00 53.14 H new ATOM 0 HB2 GLU A 66 7.794 -20.226 -6.222 1.00 71.54 H new ATOM 0 HB3 GLU A 66 7.340 -21.658 -5.320 1.00 71.54 H new ATOM 0 HG2 GLU A 66 5.233 -20.636 -4.646 1.00 13.14 H new ATOM 0 HG3 GLU A 66 5.697 -19.105 -5.363 1.00 13.14 H new ATOM 960 N LEU A 67 8.752 -18.087 -5.338 1.00 63.11 N ATOM 961 CA LEU A 67 8.992 -16.673 -5.603 1.00 53.41 C ATOM 962 C LEU A 67 7.691 -15.878 -5.534 1.00 65.15 C ATOM 963 O LEU A 67 7.687 -14.708 -5.154 1.00 0.13 O ATOM 964 CB LEU A 67 9.640 -16.494 -6.977 1.00 2.51 C ATOM 965 CG LEU A 67 8.956 -17.212 -8.141 1.00 3.23 C ATOM 966 CD1 LEU A 67 7.824 -16.365 -8.699 1.00 54.43 C ATOM 967 CD2 LEU A 67 9.966 -17.542 -9.231 1.00 15.22 C ATOM 0 H LEU A 67 9.108 -18.717 -6.057 1.00 63.11 H new ATOM 0 HA LEU A 67 9.669 -16.295 -4.837 1.00 53.41 H new ATOM 0 HB2 LEU A 67 9.675 -15.428 -7.204 1.00 2.51 H new ATOM 0 HB3 LEU A 67 10.672 -16.841 -6.918 1.00 2.51 H new ATOM 0 HG LEU A 67 8.534 -18.146 -7.770 1.00 3.23 H new ATOM 0 HD11 LEU A 67 7.349 -16.892 -9.526 1.00 54.43 H new ATOM 0 HD12 LEU A 67 7.088 -16.180 -7.916 1.00 54.43 H new ATOM 0 HD13 LEU A 67 8.222 -15.415 -9.055 1.00 54.43 H new ATOM 0 HD21 LEU A 67 9.462 -18.053 -10.052 1.00 15.22 H new ATOM 0 HD22 LEU A 67 10.418 -16.621 -9.600 1.00 15.22 H new ATOM 0 HD23 LEU A 67 10.743 -18.189 -8.823 1.00 15.22 H new ATOM 979 N ALA A 68 6.590 -16.523 -5.904 1.00 33.03 N ATOM 980 CA ALA A 68 5.283 -15.878 -5.880 1.00 32.10 C ATOM 981 C ALA A 68 4.888 -15.490 -4.459 1.00 40.32 C ATOM 982 O ALA A 68 4.329 -14.417 -4.231 1.00 63.24 O ATOM 983 CB ALA A 68 4.232 -16.793 -6.490 1.00 75.24 C ATOM 0 H ALA A 68 6.577 -17.491 -6.224 1.00 33.03 H new ATOM 0 HA ALA A 68 5.345 -14.966 -6.474 1.00 32.10 H new ATOM 0 HB1 ALA A 68 3.261 -16.299 -6.466 1.00 75.24 H new ATOM 0 HB2 ALA A 68 4.499 -17.017 -7.523 1.00 75.24 H new ATOM 0 HB3 ALA A 68 4.182 -17.720 -5.919 1.00 75.24 H new ATOM 989 N ALA A 69 5.182 -16.369 -3.507 1.00 74.20 N ATOM 990 CA ALA A 69 4.858 -16.117 -2.108 1.00 63.13 C ATOM 991 C ALA A 69 5.654 -14.935 -1.565 1.00 61.12 C ATOM 992 O ALA A 69 5.162 -14.172 -0.733 1.00 62.24 O ATOM 993 CB ALA A 69 5.122 -17.361 -1.273 1.00 74.52 C ATOM 0 H ALA A 69 5.644 -17.262 -3.679 1.00 74.20 H new ATOM 0 HA ALA A 69 3.799 -15.868 -2.045 1.00 63.13 H new ATOM 0 HB1 ALA A 69 4.876 -17.159 -0.231 1.00 74.52 H new ATOM 0 HB2 ALA A 69 4.505 -18.182 -1.639 1.00 74.52 H new ATOM 0 HB3 ALA A 69 6.174 -17.635 -1.351 1.00 74.52 H new ATOM 999 N PHE A 70 6.887 -14.789 -2.040 1.00 73.43 N ATOM 1000 CA PHE A 70 7.752 -13.701 -1.601 1.00 14.33 C ATOM 1001 C PHE A 70 7.368 -12.392 -2.285 1.00 5.42 C ATOM 1002 O PHE A 70 7.476 -11.317 -1.696 1.00 14.10 O ATOM 1003 CB PHE A 70 9.216 -14.034 -1.895 1.00 53.42 C ATOM 1004 CG PHE A 70 10.166 -12.928 -1.534 1.00 41.14 C ATOM 1005 CD1 PHE A 70 10.799 -12.915 -0.302 1.00 64.32 C ATOM 1006 CD2 PHE A 70 10.426 -11.901 -2.428 1.00 12.25 C ATOM 1007 CE1 PHE A 70 11.675 -11.899 0.033 1.00 71.42 C ATOM 1008 CE2 PHE A 70 11.301 -10.883 -2.098 1.00 55.33 C ATOM 1009 CZ PHE A 70 11.925 -10.881 -0.866 1.00 71.32 C ATOM 0 H PHE A 70 7.309 -15.411 -2.729 1.00 73.43 H new ATOM 0 HA PHE A 70 7.624 -13.580 -0.525 1.00 14.33 H new ATOM 0 HB2 PHE A 70 9.493 -14.934 -1.346 1.00 53.42 H new ATOM 0 HB3 PHE A 70 9.323 -14.262 -2.956 1.00 53.42 H new ATOM 0 HD1 PHE A 70 10.606 -13.708 0.405 1.00 64.32 H new ATOM 0 HD2 PHE A 70 9.940 -11.896 -3.392 1.00 12.25 H new ATOM 0 HE1 PHE A 70 12.163 -11.902 0.996 1.00 71.42 H new ATOM 0 HE2 PHE A 70 11.497 -10.089 -2.804 1.00 55.33 H new ATOM 0 HZ PHE A 70 12.607 -10.085 -0.606 1.00 71.32 H new ATOM 1019 N ASN A 71 6.922 -12.492 -3.533 1.00 12.44 N ATOM 1020 CA ASN A 71 6.524 -11.316 -4.298 1.00 74.14 C ATOM 1021 C ASN A 71 5.382 -10.577 -3.607 1.00 21.24 C ATOM 1022 O ASN A 71 5.306 -9.349 -3.649 1.00 4.34 O ATOM 1023 CB ASN A 71 6.101 -11.722 -5.712 1.00 1.41 C ATOM 1024 CG ASN A 71 6.548 -10.719 -6.759 1.00 33.42 C ATOM 1025 OD1 ASN A 71 7.681 -10.239 -6.731 1.00 11.14 O ATOM 1026 ND2 ASN A 71 5.656 -10.399 -7.689 1.00 62.14 N ATOM 0 H ASN A 71 6.827 -13.374 -4.036 1.00 12.44 H new ATOM 0 HA ASN A 71 7.382 -10.646 -4.359 1.00 74.14 H new ATOM 0 HB2 ASN A 71 6.521 -12.700 -5.947 1.00 1.41 H new ATOM 0 HB3 ASN A 71 5.016 -11.823 -5.749 1.00 1.41 H new ATOM 0 HD21 ASN A 71 5.899 -9.730 -8.420 1.00 62.14 H new ATOM 0 HD22 ASN A 71 4.728 -10.822 -7.673 1.00 62.14 H new ATOM 1033 N THR A 72 4.495 -11.334 -2.969 1.00 33.42 N ATOM 1034 CA THR A 72 3.357 -10.753 -2.268 1.00 52.22 C ATOM 1035 C THR A 72 3.796 -10.068 -0.979 1.00 22.51 C ATOM 1036 O THR A 72 3.285 -9.007 -0.622 1.00 50.12 O ATOM 1037 CB THR A 72 2.297 -11.820 -1.934 1.00 44.03 C ATOM 1038 OG1 THR A 72 2.783 -13.120 -2.287 1.00 42.15 O ATOM 1039 CG2 THR A 72 0.997 -11.541 -2.673 1.00 31.13 C ATOM 0 H THR A 72 4.543 -12.352 -2.923 1.00 33.42 H new ATOM 0 HA THR A 72 2.918 -10.014 -2.938 1.00 52.22 H new ATOM 0 HB THR A 72 2.102 -11.784 -0.862 1.00 44.03 H new ATOM 0 HG1 THR A 72 3.497 -13.381 -1.669 1.00 42.15 H new ATOM 0 HG21 THR A 72 0.264 -12.307 -2.422 1.00 31.13 H new ATOM 0 HG22 THR A 72 0.615 -10.563 -2.380 1.00 31.13 H new ATOM 0 HG23 THR A 72 1.180 -11.552 -3.748 1.00 31.13 H new ATOM 1047 N VAL A 73 4.748 -10.683 -0.283 1.00 51.50 N ATOM 1048 CA VAL A 73 5.258 -10.131 0.967 1.00 72.14 C ATOM 1049 C VAL A 73 6.093 -8.881 0.715 1.00 1.22 C ATOM 1050 O VAL A 73 5.883 -7.844 1.344 1.00 0.34 O ATOM 1051 CB VAL A 73 6.113 -11.162 1.727 1.00 12.15 C ATOM 1052 CG1 VAL A 73 6.754 -10.525 2.951 1.00 34.22 C ATOM 1053 CG2 VAL A 73 5.270 -12.365 2.122 1.00 31.21 C ATOM 0 H VAL A 73 5.181 -11.563 -0.564 1.00 51.50 H new ATOM 0 HA VAL A 73 4.392 -9.869 1.575 1.00 72.14 H new ATOM 0 HB VAL A 73 6.909 -11.506 1.067 1.00 12.15 H new ATOM 0 HG11 VAL A 73 7.354 -11.268 3.476 1.00 34.22 H new ATOM 0 HG12 VAL A 73 7.392 -9.698 2.639 1.00 34.22 H new ATOM 0 HG13 VAL A 73 5.976 -10.152 3.617 1.00 34.22 H new ATOM 0 HG21 VAL A 73 5.890 -13.084 2.658 1.00 31.21 H new ATOM 0 HG22 VAL A 73 4.452 -12.041 2.765 1.00 31.21 H new ATOM 0 HG23 VAL A 73 4.863 -12.834 1.226 1.00 31.21 H new ATOM 1063 N VAL A 74 7.042 -8.986 -0.210 1.00 0.23 N ATOM 1064 CA VAL A 74 7.909 -7.863 -0.546 1.00 40.14 C ATOM 1065 C VAL A 74 7.097 -6.671 -1.041 1.00 4.24 C ATOM 1066 O VAL A 74 7.401 -5.523 -0.717 1.00 20.12 O ATOM 1067 CB VAL A 74 8.938 -8.252 -1.625 1.00 10.15 C ATOM 1068 CG1 VAL A 74 8.235 -8.721 -2.889 1.00 40.33 C ATOM 1069 CG2 VAL A 74 9.865 -7.083 -1.922 1.00 60.00 C ATOM 0 H VAL A 74 7.230 -9.837 -0.740 1.00 0.23 H new ATOM 0 HA VAL A 74 8.437 -7.586 0.367 1.00 40.14 H new ATOM 0 HB VAL A 74 9.541 -9.077 -1.247 1.00 10.15 H new ATOM 0 HG11 VAL A 74 8.978 -8.991 -3.639 1.00 40.33 H new ATOM 0 HG12 VAL A 74 7.617 -9.589 -2.661 1.00 40.33 H new ATOM 0 HG13 VAL A 74 7.605 -7.919 -3.274 1.00 40.33 H new ATOM 0 HG21 VAL A 74 10.585 -7.375 -2.686 1.00 60.00 H new ATOM 0 HG22 VAL A 74 9.279 -6.236 -2.280 1.00 60.00 H new ATOM 0 HG23 VAL A 74 10.395 -6.799 -1.013 1.00 60.00 H new ATOM 1079 N ALA A 75 6.063 -6.951 -1.827 1.00 21.23 N ATOM 1080 CA ALA A 75 5.205 -5.902 -2.364 1.00 25.20 C ATOM 1081 C ALA A 75 4.566 -5.088 -1.244 1.00 21.51 C ATOM 1082 O ALA A 75 4.511 -3.860 -1.310 1.00 24.45 O ATOM 1083 CB ALA A 75 4.133 -6.504 -3.260 1.00 22.31 C ATOM 0 H ALA A 75 5.799 -7.896 -2.106 1.00 21.23 H new ATOM 0 HA ALA A 75 5.824 -5.230 -2.958 1.00 25.20 H new ATOM 0 HB1 ALA A 75 3.500 -5.709 -3.654 1.00 22.31 H new ATOM 0 HB2 ALA A 75 4.606 -7.035 -4.086 1.00 22.31 H new ATOM 0 HB3 ALA A 75 3.525 -7.200 -2.682 1.00 22.31 H new ATOM 1089 N ARG A 76 4.083 -5.781 -0.217 1.00 41.34 N ATOM 1090 CA ARG A 76 3.446 -5.122 0.916 1.00 15.21 C ATOM 1091 C ARG A 76 4.490 -4.552 1.872 1.00 70.33 C ATOM 1092 O ARG A 76 4.228 -3.588 2.591 1.00 0.14 O ATOM 1093 CB ARG A 76 2.539 -6.104 1.661 1.00 43.04 C ATOM 1094 CG ARG A 76 1.146 -6.219 1.064 1.00 61.40 C ATOM 1095 CD ARG A 76 1.139 -7.114 -0.165 1.00 60.44 C ATOM 1096 NE ARG A 76 -0.124 -7.034 -0.894 1.00 13.03 N ATOM 1097 CZ ARG A 76 -0.290 -7.491 -2.130 1.00 14.21 C ATOM 1098 NH1 ARG A 76 0.721 -8.058 -2.772 1.00 45.01 N ATOM 1099 NH2 ARG A 76 -1.471 -7.381 -2.726 1.00 63.31 N ATOM 0 H ARG A 76 4.121 -6.798 -0.147 1.00 41.34 H new ATOM 0 HA ARG A 76 2.842 -4.299 0.533 1.00 15.21 H new ATOM 0 HB2 ARG A 76 3.007 -7.088 1.662 1.00 43.04 H new ATOM 0 HB3 ARG A 76 2.455 -5.790 2.701 1.00 43.04 H new ATOM 0 HG2 ARG A 76 0.461 -6.620 1.811 1.00 61.40 H new ATOM 0 HG3 ARG A 76 0.781 -5.228 0.796 1.00 61.40 H new ATOM 0 HD2 ARG A 76 1.957 -6.829 -0.826 1.00 60.44 H new ATOM 0 HD3 ARG A 76 1.318 -8.146 0.137 1.00 60.44 H new ATOM 0 HE ARG A 76 -0.923 -6.603 -0.428 1.00 13.03 H new ATOM 0 HH11 ARG A 76 1.630 -8.144 -2.317 1.00 45.01 H new ATOM 0 HH12 ARG A 76 0.590 -8.408 -3.721 1.00 45.01 H new ATOM 0 HH21 ARG A 76 -2.252 -6.945 -2.235 1.00 63.31 H new ATOM 0 HH22 ARG A 76 -1.598 -7.732 -3.675 1.00 63.31 H new ATOM 1113 N HIS A 77 5.674 -5.156 1.874 1.00 44.33 N ATOM 1114 CA HIS A 77 6.759 -4.709 2.741 1.00 53.32 C ATOM 1115 C HIS A 77 7.417 -3.451 2.182 1.00 4.25 C ATOM 1116 O HIS A 77 7.968 -2.642 2.930 1.00 62.13 O ATOM 1117 CB HIS A 77 7.801 -5.816 2.902 1.00 51.24 C ATOM 1118 CG HIS A 77 7.545 -6.713 4.073 1.00 24.40 C ATOM 1119 ND1 HIS A 77 8.451 -7.657 4.509 1.00 32.44 N ATOM 1120 CD2 HIS A 77 6.479 -6.806 4.901 1.00 11.25 C ATOM 1121 CE1 HIS A 77 7.952 -8.293 5.554 1.00 14.15 C ATOM 1122 NE2 HIS A 77 6.756 -7.795 5.813 1.00 0.31 N ATOM 0 H HIS A 77 5.907 -5.956 1.285 1.00 44.33 H new ATOM 0 HA HIS A 77 6.337 -4.474 3.718 1.00 53.32 H new ATOM 0 HB2 HIS A 77 7.824 -6.417 1.993 1.00 51.24 H new ATOM 0 HB3 HIS A 77 8.787 -5.363 3.010 1.00 51.24 H new ATOM 0 HD2 HIS A 77 5.578 -6.213 4.854 1.00 11.25 H new ATOM 0 HE1 HIS A 77 8.439 -9.085 6.103 1.00 14.15 H new ATOM 0 HE2 HIS A 77 6.139 -8.096 6.567 1.00 0.31 H new ATOM 1130 N VAL A 78 7.358 -3.293 0.864 1.00 54.30 N ATOM 1131 CA VAL A 78 7.948 -2.133 0.205 1.00 32.55 C ATOM 1132 C VAL A 78 7.456 -0.835 0.834 1.00 54.41 C ATOM 1133 O VAL A 78 6.344 -0.383 0.560 1.00 14.00 O ATOM 1134 CB VAL A 78 7.623 -2.118 -1.300 1.00 44.41 C ATOM 1135 CG1 VAL A 78 7.915 -0.749 -1.895 1.00 44.51 C ATOM 1136 CG2 VAL A 78 8.407 -3.201 -2.025 1.00 62.30 C ATOM 0 H VAL A 78 6.908 -3.954 0.231 1.00 54.30 H new ATOM 0 HA VAL A 78 9.028 -2.209 0.335 1.00 32.55 H new ATOM 0 HB VAL A 78 6.560 -2.324 -1.427 1.00 44.41 H new ATOM 0 HG11 VAL A 78 7.679 -0.757 -2.959 1.00 44.51 H new ATOM 0 HG12 VAL A 78 7.305 0.003 -1.394 1.00 44.51 H new ATOM 0 HG13 VAL A 78 8.970 -0.510 -1.759 1.00 44.51 H new ATOM 0 HG21 VAL A 78 8.165 -3.176 -3.087 1.00 62.30 H new ATOM 0 HG22 VAL A 78 9.475 -3.028 -1.892 1.00 62.30 H new ATOM 0 HG23 VAL A 78 8.144 -4.176 -1.616 1.00 62.30 H new ATOM 1146 N ARG A 79 8.291 -0.238 1.678 1.00 64.13 N ATOM 1147 CA ARG A 79 7.941 1.009 2.346 1.00 1.32 C ATOM 1148 C ARG A 79 9.193 1.807 2.699 1.00 51.44 C ATOM 1149 O ARG A 79 10.297 1.270 2.789 1.00 33.44 O ATOM 1150 CB ARG A 79 7.132 0.724 3.613 1.00 53.24 C ATOM 1151 CG ARG A 79 5.634 0.915 3.434 1.00 23.42 C ATOM 1152 CD ARG A 79 5.000 1.532 4.671 1.00 71.51 C ATOM 1153 NE ARG A 79 3.542 1.445 4.639 1.00 4.42 N ATOM 1154 CZ ARG A 79 2.762 1.818 5.648 1.00 61.52 C ATOM 1155 NH1 ARG A 79 3.297 2.299 6.761 1.00 11.13 N ATOM 1156 NH2 ARG A 79 1.444 1.709 5.543 1.00 32.25 N ATOM 0 H ARG A 79 9.215 -0.598 1.915 1.00 64.13 H new ATOM 0 HA ARG A 79 7.334 1.601 1.661 1.00 1.32 H new ATOM 0 HB2 ARG A 79 7.324 -0.300 3.934 1.00 53.24 H new ATOM 0 HB3 ARG A 79 7.481 1.379 4.412 1.00 53.24 H new ATOM 0 HG2 ARG A 79 5.448 1.554 2.571 1.00 23.42 H new ATOM 0 HG3 ARG A 79 5.166 -0.047 3.225 1.00 23.42 H new ATOM 0 HD2 ARG A 79 5.374 1.026 5.561 1.00 71.51 H new ATOM 0 HD3 ARG A 79 5.299 2.577 4.749 1.00 71.51 H new ATOM 0 HE ARG A 79 3.099 1.078 3.797 1.00 4.42 H new ATOM 0 HH11 ARG A 79 4.310 2.384 6.845 1.00 11.13 H new ATOM 0 HH12 ARG A 79 2.696 2.585 7.534 1.00 11.13 H new ATOM 0 HH21 ARG A 79 1.029 1.339 4.688 1.00 32.25 H new ATOM 0 HH22 ARG A 79 0.845 1.995 6.318 1.00 32.25 H new ATOM 1170 N PRO A 80 9.019 3.122 2.902 1.00 63.22 N ATOM 1171 CA PRO A 80 10.123 4.022 3.247 1.00 5.03 C ATOM 1172 C PRO A 80 10.654 3.775 4.655 1.00 31.14 C ATOM 1173 O PRO A 80 10.003 4.116 5.643 1.00 41.21 O ATOM 1174 CB PRO A 80 9.491 5.413 3.151 1.00 71.44 C ATOM 1175 CG PRO A 80 8.038 5.185 3.387 1.00 73.02 C ATOM 1176 CD PRO A 80 7.732 3.830 2.810 1.00 13.33 C ATOM 0 HA PRO A 80 10.982 3.883 2.590 1.00 5.03 H new ATOM 0 HB2 PRO A 80 9.911 6.091 3.894 1.00 71.44 H new ATOM 0 HB3 PRO A 80 9.668 5.862 2.174 1.00 71.44 H new ATOM 0 HG2 PRO A 80 7.806 5.217 4.451 1.00 73.02 H new ATOM 0 HG3 PRO A 80 7.439 5.958 2.906 1.00 73.02 H new ATOM 0 HD2 PRO A 80 6.951 3.320 3.374 1.00 13.33 H new ATOM 0 HD3 PRO A 80 7.385 3.901 1.779 1.00 13.33 H new ATOM 1184 N SER A 81 11.840 3.180 4.740 1.00 15.03 N ATOM 1185 CA SER A 81 12.456 2.884 6.028 1.00 11.33 C ATOM 1186 C SER A 81 11.571 1.955 6.854 1.00 53.33 C ATOM 1187 O SER A 81 11.443 2.117 8.067 1.00 41.52 O ATOM 1188 CB SER A 81 12.717 4.178 6.802 1.00 44.24 C ATOM 1189 OG SER A 81 13.781 4.015 7.724 1.00 51.22 O ATOM 0 H SER A 81 12.393 2.894 3.932 1.00 15.03 H new ATOM 0 HA SER A 81 13.405 2.382 5.841 1.00 11.33 H new ATOM 0 HB2 SER A 81 12.956 4.981 6.104 1.00 44.24 H new ATOM 0 HB3 SER A 81 11.813 4.476 7.334 1.00 44.24 H new ATOM 0 HG SER A 81 13.929 4.856 8.205 1.00 51.22 H new ATOM 1195 N ALA A 82 10.961 0.981 6.186 1.00 41.42 N ATOM 1196 CA ALA A 82 10.089 0.025 6.856 1.00 24.23 C ATOM 1197 C ALA A 82 10.885 -1.161 7.391 1.00 34.25 C ATOM 1198 O ALA A 82 11.305 -2.033 6.631 1.00 51.02 O ATOM 1199 CB ALA A 82 9.001 -0.453 5.907 1.00 55.32 C ATOM 0 H ALA A 82 11.055 0.834 5.181 1.00 41.42 H new ATOM 0 HA ALA A 82 9.622 0.528 7.702 1.00 24.23 H new ATOM 0 HB1 ALA A 82 8.357 -1.167 6.421 1.00 55.32 H new ATOM 0 HB2 ALA A 82 8.407 0.399 5.576 1.00 55.32 H new ATOM 0 HB3 ALA A 82 9.458 -0.934 5.042 1.00 55.32 H new ATOM 1205 N SER A 83 11.088 -1.187 8.705 1.00 70.23 N ATOM 1206 CA SER A 83 11.837 -2.264 9.341 1.00 21.41 C ATOM 1207 C SER A 83 10.897 -3.239 10.043 1.00 34.21 C ATOM 1208 O SER A 83 10.224 -2.882 11.011 1.00 51.45 O ATOM 1209 CB SER A 83 12.840 -1.693 10.345 1.00 12.23 C ATOM 1210 OG SER A 83 13.232 -0.380 9.983 1.00 11.04 O ATOM 0 H SER A 83 10.744 -0.475 9.349 1.00 70.23 H new ATOM 0 HA SER A 83 12.379 -2.804 8.564 1.00 21.41 H new ATOM 0 HB2 SER A 83 12.397 -1.682 11.341 1.00 12.23 H new ATOM 0 HB3 SER A 83 13.718 -2.338 10.394 1.00 12.23 H new ATOM 0 HG SER A 83 13.872 -0.036 10.641 1.00 11.04 H new ATOM 1216 N ILE A 84 10.856 -4.472 9.549 1.00 55.25 N ATOM 1217 CA ILE A 84 9.999 -5.499 10.128 1.00 11.22 C ATOM 1218 C ILE A 84 10.785 -6.774 10.413 1.00 61.01 C ATOM 1219 O ILE A 84 11.846 -7.020 9.839 1.00 41.11 O ATOM 1220 CB ILE A 84 8.816 -5.835 9.201 1.00 50.51 C ATOM 1221 CG1 ILE A 84 9.245 -5.737 7.735 1.00 31.24 C ATOM 1222 CG2 ILE A 84 7.645 -4.904 9.479 1.00 73.24 C ATOM 1223 CD1 ILE A 84 10.387 -6.662 7.377 1.00 21.15 C ATOM 0 H ILE A 84 11.406 -4.784 8.749 1.00 55.25 H new ATOM 0 HA ILE A 84 9.613 -5.096 11.064 1.00 11.22 H new ATOM 0 HB ILE A 84 8.497 -6.858 9.399 1.00 50.51 H new ATOM 0 HG12 ILE A 84 8.390 -5.965 7.099 1.00 31.24 H new ATOM 0 HG13 ILE A 84 9.538 -4.710 7.519 1.00 31.24 H new ATOM 0 HG21 ILE A 84 6.816 -5.154 8.816 1.00 73.24 H new ATOM 0 HG22 ILE A 84 7.328 -5.018 10.516 1.00 73.24 H new ATOM 0 HG23 ILE A 84 7.951 -3.872 9.305 1.00 73.24 H new ATOM 0 HD11 ILE A 84 10.638 -6.539 6.323 1.00 21.15 H new ATOM 0 HD12 ILE A 84 11.257 -6.420 7.988 1.00 21.15 H new ATOM 0 HD13 ILE A 84 10.090 -7.695 7.561 1.00 21.15 H new ATOM 1235 N PRO A 85 10.253 -7.607 11.319 1.00 30.24 N ATOM 1236 CA PRO A 85 10.887 -8.873 11.699 1.00 20.14 C ATOM 1237 C PRO A 85 10.839 -9.905 10.578 1.00 73.20 C ATOM 1238 O PRO A 85 9.844 -10.011 9.861 1.00 72.43 O ATOM 1239 CB PRO A 85 10.054 -9.343 12.894 1.00 13.55 C ATOM 1240 CG PRO A 85 8.722 -8.702 12.703 1.00 64.01 C ATOM 1241 CD PRO A 85 8.991 -7.378 12.043 1.00 40.12 C ATOM 0 HA PRO A 85 11.946 -8.746 11.924 1.00 20.14 H new ATOM 0 HB2 PRO A 85 9.971 -10.430 12.916 1.00 13.55 H new ATOM 0 HB3 PRO A 85 10.508 -9.039 13.837 1.00 13.55 H new ATOM 0 HG2 PRO A 85 8.075 -9.323 12.083 1.00 64.01 H new ATOM 0 HG3 PRO A 85 8.214 -8.566 13.658 1.00 64.01 H new ATOM 0 HD2 PRO A 85 8.185 -7.096 11.366 1.00 40.12 H new ATOM 0 HD3 PRO A 85 9.088 -6.576 12.775 1.00 40.12 H new ATOM 1249 N VAL A 86 11.920 -10.665 10.432 1.00 13.01 N ATOM 1250 CA VAL A 86 12.000 -11.690 9.399 1.00 73.34 C ATOM 1251 C VAL A 86 12.714 -12.935 9.913 1.00 13.04 C ATOM 1252 O VAL A 86 13.643 -12.844 10.716 1.00 52.31 O ATOM 1253 CB VAL A 86 12.734 -11.171 8.148 1.00 1.23 C ATOM 1254 CG1 VAL A 86 12.809 -12.255 7.084 1.00 40.11 C ATOM 1255 CG2 VAL A 86 12.047 -9.926 7.606 1.00 23.41 C ATOM 0 H VAL A 86 12.752 -10.590 11.017 1.00 13.01 H new ATOM 0 HA VAL A 86 10.976 -11.947 9.130 1.00 73.34 H new ATOM 0 HB VAL A 86 13.752 -10.903 8.430 1.00 1.23 H new ATOM 0 HG11 VAL A 86 13.331 -11.870 6.208 1.00 40.11 H new ATOM 0 HG12 VAL A 86 13.349 -13.116 7.479 1.00 40.11 H new ATOM 0 HG13 VAL A 86 11.801 -12.558 6.802 1.00 40.11 H new ATOM 0 HG21 VAL A 86 12.579 -9.573 6.722 1.00 23.41 H new ATOM 0 HG22 VAL A 86 11.018 -10.166 7.339 1.00 23.41 H new ATOM 0 HG23 VAL A 86 12.052 -9.147 8.368 1.00 23.41 H new ATOM 1265 N VAL A 87 12.274 -14.099 9.446 1.00 53.01 N ATOM 1266 CA VAL A 87 12.872 -15.363 9.858 1.00 74.44 C ATOM 1267 C VAL A 87 13.666 -15.992 8.718 1.00 21.25 C ATOM 1268 O VAL A 87 13.120 -16.289 7.656 1.00 74.21 O ATOM 1269 CB VAL A 87 11.800 -16.362 10.334 1.00 61.10 C ATOM 1270 CG1 VAL A 87 12.428 -17.714 10.639 1.00 53.31 C ATOM 1271 CG2 VAL A 87 11.069 -15.818 11.552 1.00 51.33 C ATOM 0 H VAL A 87 11.505 -14.193 8.782 1.00 53.01 H new ATOM 0 HA VAL A 87 13.544 -15.140 10.686 1.00 74.44 H new ATOM 0 HB VAL A 87 11.073 -16.498 9.533 1.00 61.10 H new ATOM 0 HG11 VAL A 87 11.656 -18.407 10.974 1.00 53.31 H new ATOM 0 HG12 VAL A 87 12.902 -18.106 9.739 1.00 53.31 H new ATOM 0 HG13 VAL A 87 13.177 -17.599 11.423 1.00 53.31 H new ATOM 0 HG21 VAL A 87 10.315 -16.536 11.875 1.00 51.33 H new ATOM 0 HG22 VAL A 87 11.782 -15.652 12.360 1.00 51.33 H new ATOM 0 HG23 VAL A 87 10.585 -14.876 11.295 1.00 51.33 H new ATOM 1281 N PHE A 88 14.960 -16.193 8.947 1.00 33.22 N ATOM 1282 CA PHE A 88 15.831 -16.787 7.940 1.00 50.23 C ATOM 1283 C PHE A 88 16.445 -18.087 8.450 1.00 71.33 C ATOM 1284 O PHE A 88 16.560 -18.301 9.657 1.00 42.55 O ATOM 1285 CB PHE A 88 16.938 -15.805 7.550 1.00 22.32 C ATOM 1286 CG PHE A 88 17.943 -15.571 8.642 1.00 61.23 C ATOM 1287 CD1 PHE A 88 17.627 -14.780 9.734 1.00 21.14 C ATOM 1288 CD2 PHE A 88 19.204 -16.142 8.575 1.00 51.12 C ATOM 1289 CE1 PHE A 88 18.549 -14.563 10.741 1.00 43.12 C ATOM 1290 CE2 PHE A 88 20.130 -15.929 9.578 1.00 10.33 C ATOM 1291 CZ PHE A 88 19.803 -15.137 10.662 1.00 72.30 C ATOM 0 H PHE A 88 15.428 -15.953 9.821 1.00 33.22 H new ATOM 0 HA PHE A 88 15.228 -17.012 7.061 1.00 50.23 H new ATOM 0 HB2 PHE A 88 17.454 -16.183 6.667 1.00 22.32 H new ATOM 0 HB3 PHE A 88 16.487 -14.853 7.272 1.00 22.32 H new ATOM 0 HD1 PHE A 88 16.649 -14.327 9.800 1.00 21.14 H new ATOM 0 HD2 PHE A 88 19.466 -16.760 7.729 1.00 51.12 H new ATOM 0 HE1 PHE A 88 18.289 -13.946 11.588 1.00 43.12 H new ATOM 0 HE2 PHE A 88 21.109 -16.381 9.515 1.00 10.33 H new ATOM 0 HZ PHE A 88 20.526 -14.967 11.446 1.00 72.30 H new ATOM 1301 N SER A 89 16.837 -18.954 7.521 1.00 13.10 N ATOM 1302 CA SER A 89 17.435 -20.236 7.875 1.00 12.33 C ATOM 1303 C SER A 89 18.810 -20.389 7.234 1.00 64.24 C ATOM 1304 O SER A 89 19.062 -19.869 6.146 1.00 34.42 O ATOM 1305 CB SER A 89 16.525 -21.385 7.439 1.00 74.24 C ATOM 1306 OG SER A 89 16.511 -21.517 6.028 1.00 71.12 O ATOM 0 H SER A 89 16.751 -18.792 6.518 1.00 13.10 H new ATOM 0 HA SER A 89 17.553 -20.267 8.958 1.00 12.33 H new ATOM 0 HB2 SER A 89 16.867 -22.316 7.891 1.00 74.24 H new ATOM 0 HB3 SER A 89 15.512 -21.208 7.801 1.00 74.24 H new ATOM 0 HG SER A 89 16.969 -22.345 5.772 1.00 71.12 H new ATOM 1312 N ARG A 90 19.698 -21.107 7.915 1.00 14.41 N ATOM 1313 CA ARG A 90 21.048 -21.328 7.413 1.00 23.23 C ATOM 1314 C ARG A 90 21.332 -22.819 7.255 1.00 31.24 C ATOM 1315 O ARG A 90 22.010 -23.424 8.087 1.00 55.24 O ATOM 1316 CB ARG A 90 22.075 -20.700 8.357 1.00 24.01 C ATOM 1317 CG ARG A 90 23.381 -20.326 7.675 1.00 61.33 C ATOM 1318 CD ARG A 90 24.584 -20.787 8.483 1.00 71.52 C ATOM 1319 NE ARG A 90 25.692 -21.202 7.627 1.00 42.33 N ATOM 1320 CZ ARG A 90 26.810 -21.754 8.087 1.00 55.34 C ATOM 1321 NH1 ARG A 90 26.966 -21.957 9.387 1.00 33.24 N ATOM 1322 NH2 ARG A 90 27.773 -22.104 7.244 1.00 23.05 N ATOM 0 H ARG A 90 19.506 -21.545 8.816 1.00 14.41 H new ATOM 0 HA ARG A 90 21.127 -20.855 6.434 1.00 23.23 H new ATOM 0 HB2 ARG A 90 21.642 -19.807 8.809 1.00 24.01 H new ATOM 0 HB3 ARG A 90 22.285 -21.398 9.168 1.00 24.01 H new ATOM 0 HG2 ARG A 90 23.415 -20.774 6.682 1.00 61.33 H new ATOM 0 HG3 ARG A 90 23.425 -19.245 7.539 1.00 61.33 H new ATOM 0 HD2 ARG A 90 24.913 -19.979 9.136 1.00 71.52 H new ATOM 0 HD3 ARG A 90 24.292 -21.617 9.126 1.00 71.52 H new ATOM 0 HE ARG A 90 25.603 -21.060 6.621 1.00 42.33 H new ATOM 0 HH11 ARG A 90 26.227 -21.689 10.037 1.00 33.24 H new ATOM 0 HH12 ARG A 90 27.825 -22.381 9.738 1.00 33.24 H new ATOM 0 HH21 ARG A 90 27.655 -21.949 6.243 1.00 23.05 H new ATOM 0 HH22 ARG A 90 28.631 -22.528 7.597 1.00 23.05 H new ATOM 1336 N ASP A 91 20.808 -23.405 6.184 1.00 24.44 N ATOM 1337 CA ASP A 91 21.005 -24.825 5.917 1.00 64.41 C ATOM 1338 C ASP A 91 20.403 -25.677 7.030 1.00 1.33 C ATOM 1339 O ASP A 91 20.981 -26.683 7.438 1.00 24.01 O ATOM 1340 CB ASP A 91 22.496 -25.136 5.770 1.00 74.55 C ATOM 1341 CG ASP A 91 23.265 -23.995 5.135 1.00 44.11 C ATOM 1342 OD1 ASP A 91 23.959 -23.264 5.873 1.00 41.02 O ATOM 1343 OD2 ASP A 91 23.175 -23.833 3.900 1.00 12.02 O ATOM 0 H ASP A 91 20.244 -22.919 5.487 1.00 24.44 H new ATOM 0 HA ASP A 91 20.497 -25.067 4.984 1.00 64.41 H new ATOM 0 HB2 ASP A 91 22.918 -25.353 6.752 1.00 74.55 H new ATOM 0 HB3 ASP A 91 22.619 -26.034 5.165 1.00 74.55 H new ATOM 1348 N GLY A 92 19.237 -25.265 7.519 1.00 41.42 N ATOM 1349 CA GLY A 92 18.576 -26.000 8.581 1.00 4.13 C ATOM 1350 C GLY A 92 18.751 -25.343 9.936 1.00 32.03 C ATOM 1351 O GLY A 92 18.469 -25.950 10.970 1.00 60.04 O ATOM 0 H GLY A 92 18.739 -24.435 7.198 1.00 41.42 H new ATOM 0 HA2 GLY A 92 17.513 -26.082 8.355 1.00 4.13 H new ATOM 0 HA3 GLY A 92 18.973 -27.014 8.618 1.00 4.13 H new ATOM 1355 N VAL A 93 19.219 -24.099 9.933 1.00 13.22 N ATOM 1356 CA VAL A 93 19.431 -23.359 11.171 1.00 2.15 C ATOM 1357 C VAL A 93 18.280 -22.397 11.442 1.00 73.15 C ATOM 1358 O VAL A 93 17.684 -21.848 10.514 1.00 23.32 O ATOM 1359 CB VAL A 93 20.750 -22.565 11.131 1.00 3.24 C ATOM 1360 CG1 VAL A 93 20.909 -21.728 12.392 1.00 73.31 C ATOM 1361 CG2 VAL A 93 21.933 -23.505 10.954 1.00 73.23 C ATOM 0 H VAL A 93 19.459 -23.582 9.087 1.00 13.22 H new ATOM 0 HA VAL A 93 19.482 -24.095 11.974 1.00 2.15 H new ATOM 0 HB VAL A 93 20.720 -21.889 10.276 1.00 3.24 H new ATOM 0 HG11 VAL A 93 21.847 -21.174 12.345 1.00 73.31 H new ATOM 0 HG12 VAL A 93 20.078 -21.028 12.471 1.00 73.31 H new ATOM 0 HG13 VAL A 93 20.917 -22.382 13.264 1.00 73.31 H new ATOM 0 HG21 VAL A 93 22.857 -22.927 10.928 1.00 73.23 H new ATOM 0 HG22 VAL A 93 21.968 -24.207 11.787 1.00 73.23 H new ATOM 0 HG23 VAL A 93 21.823 -24.056 10.020 1.00 73.23 H new ATOM 1371 N VAL A 94 17.971 -22.196 12.719 1.00 75.43 N ATOM 1372 CA VAL A 94 16.891 -21.299 13.112 1.00 32.00 C ATOM 1373 C VAL A 94 17.437 -20.038 13.772 1.00 21.11 C ATOM 1374 O VAL A 94 17.993 -20.091 14.869 1.00 42.53 O ATOM 1375 CB VAL A 94 15.912 -21.989 14.080 1.00 20.35 C ATOM 1376 CG1 VAL A 94 14.808 -21.030 14.498 1.00 51.02 C ATOM 1377 CG2 VAL A 94 15.329 -23.242 13.445 1.00 71.33 C ATOM 0 H VAL A 94 18.453 -22.642 13.499 1.00 75.43 H new ATOM 0 HA VAL A 94 16.358 -21.027 12.201 1.00 32.00 H new ATOM 0 HB VAL A 94 16.461 -22.284 14.974 1.00 20.35 H new ATOM 0 HG11 VAL A 94 14.126 -21.536 15.182 1.00 51.02 H new ATOM 0 HG12 VAL A 94 15.246 -20.165 14.996 1.00 51.02 H new ATOM 0 HG13 VAL A 94 14.259 -20.701 13.616 1.00 51.02 H new ATOM 0 HG21 VAL A 94 14.639 -23.717 14.143 1.00 71.33 H new ATOM 0 HG22 VAL A 94 14.795 -22.973 12.534 1.00 71.33 H new ATOM 0 HG23 VAL A 94 16.134 -23.935 13.202 1.00 71.33 H new ATOM 1387 N MET A 95 17.274 -18.905 13.097 1.00 63.24 N ATOM 1388 CA MET A 95 17.750 -17.629 13.619 1.00 61.42 C ATOM 1389 C MET A 95 16.823 -16.492 13.202 1.00 0.24 C ATOM 1390 O MET A 95 16.249 -16.513 12.114 1.00 61.33 O ATOM 1391 CB MET A 95 19.172 -17.351 13.127 1.00 55.34 C ATOM 1392 CG MET A 95 19.780 -16.086 13.711 1.00 52.03 C ATOM 1393 SD MET A 95 19.930 -16.153 15.506 1.00 1.33 S ATOM 1394 CE MET A 95 21.567 -16.857 15.683 1.00 24.20 C ATOM 0 H MET A 95 16.816 -18.844 12.188 1.00 63.24 H new ATOM 0 HA MET A 95 17.756 -17.689 14.707 1.00 61.42 H new ATOM 0 HB2 MET A 95 19.808 -18.200 13.379 1.00 55.34 H new ATOM 0 HB3 MET A 95 19.163 -17.272 12.040 1.00 55.34 H new ATOM 0 HG2 MET A 95 20.765 -15.926 13.274 1.00 52.03 H new ATOM 0 HG3 MET A 95 19.165 -15.230 13.433 1.00 52.03 H new ATOM 0 HE1 MET A 95 21.806 -16.961 16.741 1.00 24.20 H new ATOM 0 HE2 MET A 95 21.595 -17.837 15.207 1.00 24.20 H new ATOM 0 HE3 MET A 95 22.298 -16.202 15.209 1.00 24.20 H new ATOM 1404 N SER A 96 16.681 -15.500 14.076 1.00 43.01 N ATOM 1405 CA SER A 96 15.820 -14.356 13.800 1.00 5.30 C ATOM 1406 C SER A 96 16.637 -13.070 13.716 1.00 52.42 C ATOM 1407 O SER A 96 17.444 -12.775 14.597 1.00 15.21 O ATOM 1408 CB SER A 96 14.749 -14.223 14.884 1.00 24.34 C ATOM 1409 OG SER A 96 15.232 -13.479 15.990 1.00 52.15 O ATOM 0 H SER A 96 17.151 -15.466 14.981 1.00 43.01 H new ATOM 0 HA SER A 96 15.334 -14.522 12.838 1.00 5.30 H new ATOM 0 HB2 SER A 96 13.867 -13.734 14.470 1.00 24.34 H new ATOM 0 HB3 SER A 96 14.438 -15.214 15.216 1.00 24.34 H new ATOM 0 HG SER A 96 14.528 -13.407 16.668 1.00 52.15 H new ATOM 1415 N ALA A 97 16.421 -12.308 12.649 1.00 55.24 N ATOM 1416 CA ALA A 97 17.134 -11.052 12.449 1.00 72.41 C ATOM 1417 C ALA A 97 16.217 -9.989 11.854 1.00 0.34 C ATOM 1418 O ALA A 97 15.398 -10.277 10.981 1.00 34.14 O ATOM 1419 CB ALA A 97 18.344 -11.270 11.553 1.00 50.33 C ATOM 0 H ALA A 97 15.758 -12.539 11.909 1.00 55.24 H new ATOM 0 HA ALA A 97 17.475 -10.697 13.422 1.00 72.41 H new ATOM 0 HB1 ALA A 97 18.867 -10.324 11.412 1.00 50.33 H new ATOM 0 HB2 ALA A 97 19.016 -11.991 12.018 1.00 50.33 H new ATOM 0 HB3 ALA A 97 18.017 -11.651 10.586 1.00 50.33 H new ATOM 1425 N THR A 98 16.359 -8.756 12.333 1.00 23.50 N ATOM 1426 CA THR A 98 15.543 -7.650 11.850 1.00 12.03 C ATOM 1427 C THR A 98 16.123 -7.055 10.572 1.00 31.42 C ATOM 1428 O THR A 98 17.291 -6.666 10.532 1.00 75.31 O ATOM 1429 CB THR A 98 15.419 -6.539 12.910 1.00 44.10 C ATOM 1430 OG1 THR A 98 15.801 -7.043 14.195 1.00 55.21 O ATOM 1431 CG2 THR A 98 13.996 -6.005 12.971 1.00 43.22 C ATOM 0 H THR A 98 17.032 -8.499 13.055 1.00 23.50 H new ATOM 0 HA THR A 98 14.553 -8.056 11.641 1.00 12.03 H new ATOM 0 HB THR A 98 16.084 -5.723 12.628 1.00 44.10 H new ATOM 0 HG1 THR A 98 15.721 -6.330 14.863 1.00 55.21 H new ATOM 0 HG21 THR A 98 13.933 -5.222 13.726 1.00 43.22 H new ATOM 0 HG22 THR A 98 13.719 -5.595 12.000 1.00 43.22 H new ATOM 0 HG23 THR A 98 13.314 -6.815 13.231 1.00 43.22 H new ATOM 1439 N ILE A 99 15.301 -6.987 9.531 1.00 72.44 N ATOM 1440 CA ILE A 99 15.733 -6.438 8.252 1.00 51.05 C ATOM 1441 C ILE A 99 14.971 -5.160 7.917 1.00 43.03 C ATOM 1442 O ILE A 99 13.740 -5.142 7.907 1.00 64.55 O ATOM 1443 CB ILE A 99 15.539 -7.452 7.109 1.00 71.12 C ATOM 1444 CG1 ILE A 99 16.121 -8.812 7.500 1.00 4.20 C ATOM 1445 CG2 ILE A 99 16.186 -6.940 5.831 1.00 63.32 C ATOM 1446 CD1 ILE A 99 17.576 -8.750 7.911 1.00 32.40 C ATOM 0 H ILE A 99 14.332 -7.305 9.548 1.00 72.44 H new ATOM 0 HA ILE A 99 16.795 -6.211 8.349 1.00 51.05 H new ATOM 0 HB ILE A 99 14.471 -7.574 6.928 1.00 71.12 H new ATOM 0 HG12 ILE A 99 15.537 -9.226 8.322 1.00 4.20 H new ATOM 0 HG13 ILE A 99 16.018 -9.498 6.659 1.00 4.20 H new ATOM 0 HG21 ILE A 99 16.040 -7.668 5.033 1.00 63.32 H new ATOM 0 HG22 ILE A 99 15.729 -5.992 5.546 1.00 63.32 H new ATOM 0 HG23 ILE A 99 17.253 -6.793 5.997 1.00 63.32 H new ATOM 0 HD11 ILE A 99 17.922 -9.749 8.175 1.00 32.40 H new ATOM 0 HD12 ILE A 99 18.172 -8.366 7.083 1.00 32.40 H new ATOM 0 HD13 ILE A 99 17.683 -8.090 8.772 1.00 32.40 H new ATOM 1458 N VAL A 100 15.712 -4.091 7.641 1.00 20.12 N ATOM 1459 CA VAL A 100 15.107 -2.808 7.303 1.00 61.55 C ATOM 1460 C VAL A 100 15.380 -2.439 5.849 1.00 51.02 C ATOM 1461 O VAL A 100 16.518 -2.158 5.471 1.00 35.32 O ATOM 1462 CB VAL A 100 15.631 -1.683 8.214 1.00 41.31 C ATOM 1463 CG1 VAL A 100 17.152 -1.677 8.235 1.00 30.02 C ATOM 1464 CG2 VAL A 100 15.091 -0.335 7.760 1.00 70.24 C ATOM 0 H VAL A 100 16.732 -4.088 7.645 1.00 20.12 H new ATOM 0 HA VAL A 100 14.033 -2.915 7.453 1.00 61.55 H new ATOM 0 HB VAL A 100 15.278 -1.867 9.229 1.00 41.31 H new ATOM 0 HG11 VAL A 100 17.504 -0.875 8.884 1.00 30.02 H new ATOM 0 HG12 VAL A 100 17.514 -2.634 8.611 1.00 30.02 H new ATOM 0 HG13 VAL A 100 17.529 -1.518 7.225 1.00 30.02 H new ATOM 0 HG21 VAL A 100 15.471 0.449 8.415 1.00 70.24 H new ATOM 0 HG22 VAL A 100 15.412 -0.140 6.737 1.00 70.24 H new ATOM 0 HG23 VAL A 100 14.002 -0.346 7.802 1.00 70.24 H new ATOM 1474 N VAL A 101 14.328 -2.440 5.036 1.00 30.41 N ATOM 1475 CA VAL A 101 14.453 -2.104 3.623 1.00 1.31 C ATOM 1476 C VAL A 101 13.955 -0.689 3.349 1.00 21.11 C ATOM 1477 O VAL A 101 12.826 -0.340 3.690 1.00 73.31 O ATOM 1478 CB VAL A 101 13.670 -3.092 2.739 1.00 33.10 C ATOM 1479 CG1 VAL A 101 13.831 -2.737 1.269 1.00 55.02 C ATOM 1480 CG2 VAL A 101 14.125 -4.519 3.004 1.00 34.31 C ATOM 0 H VAL A 101 13.379 -2.670 5.332 1.00 30.41 H new ATOM 0 HA VAL A 101 15.512 -2.168 3.375 1.00 1.31 H new ATOM 0 HB VAL A 101 12.612 -3.019 2.992 1.00 33.10 H new ATOM 0 HG11 VAL A 101 13.271 -3.446 0.660 1.00 55.02 H new ATOM 0 HG12 VAL A 101 13.452 -1.730 1.094 1.00 55.02 H new ATOM 0 HG13 VAL A 101 14.886 -2.780 0.998 1.00 55.02 H new ATOM 0 HG21 VAL A 101 13.561 -5.204 2.371 1.00 34.31 H new ATOM 0 HG22 VAL A 101 15.188 -4.609 2.780 1.00 34.31 H new ATOM 0 HG23 VAL A 101 13.952 -4.767 4.051 1.00 34.31 H new ATOM 1490 N GLY A 102 14.807 0.123 2.730 1.00 72.13 N ATOM 1491 CA GLY A 102 14.435 1.491 2.420 1.00 62.04 C ATOM 1492 C GLY A 102 14.344 1.743 0.928 1.00 50.03 C ATOM 1493 O GLY A 102 15.358 1.752 0.231 1.00 71.43 O ATOM 0 H GLY A 102 15.748 -0.142 2.438 1.00 72.13 H new ATOM 0 HA2 GLY A 102 13.474 1.717 2.883 1.00 62.04 H new ATOM 0 HA3 GLY A 102 15.167 2.171 2.856 1.00 62.04 H new ATOM 1497 N GLU A 103 13.125 1.947 0.437 1.00 45.11 N ATOM 1498 CA GLU A 103 12.907 2.198 -0.983 1.00 33.32 C ATOM 1499 C GLU A 103 13.280 3.632 -1.346 1.00 15.21 C ATOM 1500 O GLU A 103 13.657 3.919 -2.483 1.00 13.01 O ATOM 1501 CB GLU A 103 11.446 1.930 -1.352 1.00 30.15 C ATOM 1502 CG GLU A 103 11.167 0.483 -1.723 1.00 4.12 C ATOM 1503 CD GLU A 103 11.082 -0.424 -0.511 1.00 25.21 C ATOM 1504 OE1 GLU A 103 11.091 0.099 0.623 1.00 14.31 O ATOM 1505 OE2 GLU A 103 11.008 -1.657 -0.696 1.00 3.12 O ATOM 0 H GLU A 103 12.275 1.943 1.001 1.00 45.11 H new ATOM 0 HA GLU A 103 13.547 1.521 -1.548 1.00 33.32 H new ATOM 0 HB2 GLU A 103 10.811 2.210 -0.512 1.00 30.15 H new ATOM 0 HB3 GLU A 103 11.168 2.571 -2.189 1.00 30.15 H new ATOM 0 HG2 GLU A 103 10.231 0.428 -2.279 1.00 4.12 H new ATOM 0 HG3 GLU A 103 11.954 0.124 -2.386 1.00 4.12 H new ATOM 1512 N LEU A 104 13.171 4.530 -0.373 1.00 32.35 N ATOM 1513 CA LEU A 104 13.496 5.935 -0.588 1.00 53.52 C ATOM 1514 C LEU A 104 13.433 6.716 0.721 1.00 62.21 C ATOM 1515 O LEU A 104 13.107 7.902 0.732 1.00 51.23 O ATOM 1516 CB LEU A 104 12.536 6.550 -1.608 1.00 52.51 C ATOM 1517 CG LEU A 104 11.099 6.766 -1.132 1.00 52.42 C ATOM 1518 CD1 LEU A 104 10.344 7.661 -2.103 1.00 73.20 C ATOM 1519 CD2 LEU A 104 10.385 5.432 -0.968 1.00 3.30 C ATOM 0 H LEU A 104 12.860 4.310 0.573 1.00 32.35 H new ATOM 0 HA LEU A 104 14.514 5.992 -0.975 1.00 53.52 H new ATOM 0 HB2 LEU A 104 12.941 7.511 -1.925 1.00 52.51 H new ATOM 0 HB3 LEU A 104 12.513 5.908 -2.489 1.00 52.51 H new ATOM 0 HG LEU A 104 11.129 7.261 -0.161 1.00 52.42 H new ATOM 0 HD11 LEU A 104 9.323 7.804 -1.748 1.00 73.20 H new ATOM 0 HD12 LEU A 104 10.843 8.628 -2.170 1.00 73.20 H new ATOM 0 HD13 LEU A 104 10.324 7.194 -3.088 1.00 73.20 H new ATOM 0 HD21 LEU A 104 9.364 5.605 -0.629 1.00 3.30 H new ATOM 0 HD22 LEU A 104 10.366 4.910 -1.924 1.00 3.30 H new ATOM 0 HD23 LEU A 104 10.913 4.824 -0.233 1.00 3.30 H new ATOM 1531 N GLU A 105 13.750 6.041 1.822 1.00 42.42 N ATOM 1532 CA GLU A 105 13.731 6.673 3.136 1.00 40.01 C ATOM 1533 C GLU A 105 12.365 7.289 3.424 1.00 72.23 C ATOM 1534 O GLU A 105 12.085 7.704 4.548 1.00 51.34 O ATOM 1535 CB GLU A 105 14.816 7.748 3.225 1.00 2.05 C ATOM 1536 CG GLU A 105 15.647 7.670 4.495 1.00 64.40 C ATOM 1537 CD GLU A 105 16.437 8.938 4.755 1.00 60.24 C ATOM 1538 OE1 GLU A 105 17.071 9.032 5.827 1.00 51.24 O ATOM 1539 OE2 GLU A 105 16.421 9.835 3.887 1.00 42.42 O ATOM 0 H GLU A 105 14.023 5.058 1.830 1.00 42.42 H new ATOM 0 HA GLU A 105 13.929 5.904 3.883 1.00 40.01 H new ATOM 0 HB2 GLU A 105 15.476 7.658 2.363 1.00 2.05 H new ATOM 0 HB3 GLU A 105 14.348 8.731 3.167 1.00 2.05 H new ATOM 0 HG2 GLU A 105 14.990 7.475 5.343 1.00 64.40 H new ATOM 0 HG3 GLU A 105 16.334 6.827 4.424 1.00 64.40 H new TER 1546 GLU A 105