USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 603 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 6 SER OG : rot -150:sc= 0.686 USER MOD Set 1.2: A 13 SER OG : rot -4:sc= 0.8 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.149 K(o=-0.15,f=-0.86) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -162:sc= -0.0599 (180deg=-0.347) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot -30:sc= 0.31 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -56:sc= 1.04 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 18:sc= 1.27 USER MOD Single : A 42 LYS NZ :NH3+ 166:sc= 0.356 (180deg=0.261) USER MOD Single : A 46 LYS NZ :NH3+ 160:sc= 1.23 (180deg=0.541) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 MET CE :methyl -134:sc=-4.65e-05 (180deg=-1.97!) USER MOD Single : A 66 LYS NZ :NH3+ 170:sc=-0.00821 (180deg=-0.0898) USER MOD Single : A 67 SER OG : rot -32:sc= 1.04 USER MOD Single : A 68 ASN : amide:sc= -0.875 X(o=-0.88,f=-1.3) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.224 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 ASN : amide:sc= -0.0165 X(o=-0.017,f=0) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= -0.851 K(o=-0.85,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 2 -5.273 -6.460 15.827 1.00 43.42 N ATOM 2 CA GLY A 2 -5.965 -5.964 14.673 1.00 61.21 C ATOM 3 C GLY A 2 -5.881 -4.465 14.571 1.00 2.34 C ATOM 4 O GLY A 2 -6.820 -3.812 14.130 1.00 24.00 O ATOM 0 HA2 GLY A 2 -5.542 -6.413 13.775 1.00 61.21 H new ATOM 0 HA3 GLY A 2 -7.011 -6.267 14.719 1.00 61.21 H new ATOM 8 N SER A 3 -4.759 -3.915 14.973 1.00 62.10 N ATOM 9 CA SER A 3 -4.587 -2.484 14.947 1.00 75.33 C ATOM 10 C SER A 3 -3.840 -2.046 13.691 1.00 62.14 C ATOM 11 O SER A 3 -4.221 -1.081 13.048 1.00 44.13 O ATOM 12 CB SER A 3 -3.859 -2.020 16.199 1.00 14.21 C ATOM 13 OG SER A 3 -4.542 -2.462 17.364 1.00 23.33 O ATOM 0 H SER A 3 -3.954 -4.436 15.321 1.00 62.10 H new ATOM 0 HA SER A 3 -5.573 -2.019 14.926 1.00 75.33 H new ATOM 0 HB2 SER A 3 -2.840 -2.407 16.199 1.00 14.21 H new ATOM 0 HB3 SER A 3 -3.787 -0.932 16.203 1.00 14.21 H new ATOM 0 HG SER A 3 -4.060 -2.157 18.161 1.00 23.33 H new ATOM 19 N GLU A 4 -2.792 -2.774 13.330 1.00 72.44 N ATOM 20 CA GLU A 4 -2.007 -2.427 12.149 1.00 65.54 C ATOM 21 C GLU A 4 -2.706 -2.893 10.893 1.00 13.04 C ATOM 22 O GLU A 4 -2.498 -2.355 9.813 1.00 32.31 O ATOM 23 CB GLU A 4 -0.608 -3.030 12.222 1.00 75.41 C ATOM 24 CG GLU A 4 0.217 -2.532 13.387 1.00 42.40 C ATOM 25 CD GLU A 4 1.596 -3.124 13.398 1.00 72.53 C ATOM 26 OE1 GLU A 4 2.456 -2.655 12.632 1.00 12.23 O ATOM 27 OE2 GLU A 4 1.843 -4.078 14.164 1.00 13.03 O ATOM 0 H GLU A 4 -2.467 -3.601 13.831 1.00 72.44 H new ATOM 0 HA GLU A 4 -1.911 -1.342 12.119 1.00 65.54 H new ATOM 0 HB2 GLU A 4 -0.694 -4.115 12.289 1.00 75.41 H new ATOM 0 HB3 GLU A 4 -0.079 -2.809 11.295 1.00 75.41 H new ATOM 0 HG2 GLU A 4 0.290 -1.445 13.340 1.00 42.40 H new ATOM 0 HG3 GLU A 4 -0.290 -2.778 14.320 1.00 42.40 H new ATOM 34 N VAL A 5 -3.540 -3.888 11.050 1.00 62.23 N ATOM 35 CA VAL A 5 -4.281 -4.430 9.953 1.00 13.12 C ATOM 36 C VAL A 5 -5.683 -3.799 9.856 1.00 0.52 C ATOM 37 O VAL A 5 -6.590 -4.090 10.661 1.00 52.25 O ATOM 38 CB VAL A 5 -4.332 -6.001 9.994 1.00 63.32 C ATOM 39 CG1 VAL A 5 -4.876 -6.525 11.314 1.00 11.34 C ATOM 40 CG2 VAL A 5 -5.127 -6.558 8.825 1.00 0.44 C ATOM 0 H VAL A 5 -3.721 -4.342 11.945 1.00 62.23 H new ATOM 0 HA VAL A 5 -3.749 -4.166 9.039 1.00 13.12 H new ATOM 0 HB VAL A 5 -3.303 -6.350 9.906 1.00 63.32 H new ATOM 0 HG11 VAL A 5 -4.892 -7.615 11.294 1.00 11.34 H new ATOM 0 HG12 VAL A 5 -4.238 -6.186 12.130 1.00 11.34 H new ATOM 0 HG13 VAL A 5 -5.888 -6.150 11.465 1.00 11.34 H new ATOM 0 HG21 VAL A 5 -5.144 -7.646 8.882 1.00 0.44 H new ATOM 0 HG22 VAL A 5 -6.147 -6.177 8.865 1.00 0.44 H new ATOM 0 HG23 VAL A 5 -4.661 -6.251 7.889 1.00 0.44 H new ATOM 50 N SER A 6 -5.837 -2.917 8.908 1.00 53.34 N ATOM 51 CA SER A 6 -7.091 -2.264 8.671 1.00 1.12 C ATOM 52 C SER A 6 -7.875 -3.034 7.610 1.00 41.21 C ATOM 53 O SER A 6 -7.431 -3.185 6.470 1.00 62.12 O ATOM 54 CB SER A 6 -6.864 -0.811 8.261 1.00 22.23 C ATOM 55 OG SER A 6 -6.172 -0.072 9.288 1.00 73.24 O ATOM 0 H SER A 6 -5.090 -2.630 8.275 1.00 53.34 H new ATOM 0 HA SER A 6 -7.678 -2.255 9.589 1.00 1.12 H new ATOM 0 HB2 SER A 6 -6.287 -0.779 7.337 1.00 22.23 H new ATOM 0 HB3 SER A 6 -7.823 -0.337 8.054 1.00 22.23 H new ATOM 0 HG SER A 6 -6.445 0.869 9.255 1.00 73.24 H new ATOM 61 N ASP A 7 -9.015 -3.524 8.007 1.00 74.31 N ATOM 62 CA ASP A 7 -9.861 -4.363 7.179 1.00 1.20 C ATOM 63 C ASP A 7 -10.712 -3.573 6.182 1.00 15.24 C ATOM 64 O ASP A 7 -10.755 -2.334 6.224 1.00 65.52 O ATOM 65 CB ASP A 7 -10.727 -5.281 8.066 1.00 34.35 C ATOM 66 CG ASP A 7 -11.513 -4.525 9.131 1.00 20.12 C ATOM 67 OD1 ASP A 7 -10.926 -4.182 10.190 1.00 11.41 O ATOM 68 OD2 ASP A 7 -12.718 -4.284 8.949 1.00 4.51 O ATOM 0 H ASP A 7 -9.399 -3.352 8.936 1.00 74.31 H new ATOM 0 HA ASP A 7 -9.201 -4.980 6.569 1.00 1.20 H new ATOM 0 HB2 ASP A 7 -11.423 -5.833 7.435 1.00 34.35 H new ATOM 0 HB3 ASP A 7 -10.085 -6.016 8.552 1.00 34.35 H new ATOM 73 N LYS A 8 -11.398 -4.333 5.300 1.00 52.43 N ATOM 74 CA LYS A 8 -12.248 -3.839 4.197 1.00 12.32 C ATOM 75 C LYS A 8 -11.459 -3.414 2.962 1.00 51.55 C ATOM 76 O LYS A 8 -10.222 -3.363 2.968 1.00 31.33 O ATOM 77 CB LYS A 8 -13.228 -2.742 4.612 1.00 1.24 C ATOM 78 CG LYS A 8 -14.259 -3.162 5.636 1.00 1.01 C ATOM 79 CD LYS A 8 -15.270 -2.054 5.885 1.00 43.22 C ATOM 80 CE LYS A 8 -14.619 -0.778 6.419 1.00 53.21 C ATOM 81 NZ LYS A 8 -15.623 0.266 6.744 1.00 24.31 N ATOM 0 H LYS A 8 -11.372 -5.352 5.340 1.00 52.43 H new ATOM 0 HA LYS A 8 -12.842 -4.711 3.922 1.00 12.32 H new ATOM 0 HB2 LYS A 8 -12.661 -1.901 5.012 1.00 1.24 H new ATOM 0 HB3 LYS A 8 -13.746 -2.383 3.723 1.00 1.24 H new ATOM 0 HG2 LYS A 8 -14.775 -4.058 5.290 1.00 1.01 H new ATOM 0 HG3 LYS A 8 -13.762 -3.421 6.571 1.00 1.01 H new ATOM 0 HD2 LYS A 8 -15.794 -1.829 4.956 1.00 43.22 H new ATOM 0 HD3 LYS A 8 -16.018 -2.402 6.597 1.00 43.22 H new ATOM 0 HE2 LYS A 8 -14.039 -1.013 7.311 1.00 53.21 H new ATOM 0 HE3 LYS A 8 -13.920 -0.390 5.678 1.00 53.21 H new ATOM 0 HZ1 LYS A 8 -15.139 1.114 7.103 1.00 24.31 H new ATOM 0 HZ2 LYS A 8 -16.160 0.510 5.887 1.00 24.31 H new ATOM 0 HZ3 LYS A 8 -16.275 -0.093 7.470 1.00 24.31 H new ATOM 95 N ARG A 9 -12.186 -3.144 1.888 1.00 10.30 N ATOM 96 CA ARG A 9 -11.593 -2.679 0.633 1.00 31.24 C ATOM 97 C ARG A 9 -11.460 -1.178 0.651 1.00 43.30 C ATOM 98 O ARG A 9 -10.767 -0.588 -0.174 1.00 71.25 O ATOM 99 CB ARG A 9 -12.424 -3.111 -0.581 1.00 14.24 C ATOM 100 CG ARG A 9 -12.457 -4.604 -0.821 1.00 21.53 C ATOM 101 CD ARG A 9 -13.301 -4.938 -2.037 1.00 40.20 C ATOM 102 NE ARG A 9 -13.264 -6.367 -2.355 1.00 74.43 N ATOM 103 CZ ARG A 9 -13.921 -6.945 -3.362 1.00 23.14 C ATOM 104 NH1 ARG A 9 -14.765 -6.241 -4.110 1.00 74.33 N ATOM 105 NH2 ARG A 9 -13.744 -8.237 -3.611 1.00 51.01 N ATOM 0 H ARG A 9 -13.201 -3.239 1.857 1.00 10.30 H new ATOM 0 HA ARG A 9 -10.607 -3.134 0.544 1.00 31.24 H new ATOM 0 HB2 ARG A 9 -13.446 -2.754 -0.451 1.00 14.24 H new ATOM 0 HB3 ARG A 9 -12.026 -2.622 -1.470 1.00 14.24 H new ATOM 0 HG2 ARG A 9 -11.442 -4.976 -0.964 1.00 21.53 H new ATOM 0 HG3 ARG A 9 -12.861 -5.109 0.057 1.00 21.53 H new ATOM 0 HD2 ARG A 9 -14.332 -4.633 -1.857 1.00 40.20 H new ATOM 0 HD3 ARG A 9 -12.944 -4.367 -2.894 1.00 40.20 H new ATOM 0 HE ARG A 9 -12.692 -6.967 -1.761 1.00 74.43 H new ATOM 0 HH11 ARG A 9 -14.914 -5.251 -3.916 1.00 74.33 H new ATOM 0 HH12 ARG A 9 -15.263 -6.691 -4.878 1.00 74.33 H new ATOM 0 HH21 ARG A 9 -13.107 -8.785 -3.033 1.00 51.01 H new ATOM 0 HH22 ARG A 9 -14.245 -8.681 -4.380 1.00 51.01 H new ATOM 119 N THR A 10 -12.151 -0.570 1.564 1.00 44.34 N ATOM 120 CA THR A 10 -12.077 0.830 1.774 1.00 25.24 C ATOM 121 C THR A 10 -11.617 1.036 3.206 1.00 42.42 C ATOM 122 O THR A 10 -12.145 0.406 4.127 1.00 24.40 O ATOM 123 CB THR A 10 -13.456 1.480 1.543 1.00 45.24 C ATOM 124 OG1 THR A 10 -13.937 1.092 0.237 1.00 14.41 O ATOM 125 CG2 THR A 10 -13.362 3.001 1.603 1.00 75.42 C ATOM 0 H THR A 10 -12.794 -1.049 2.194 1.00 44.34 H new ATOM 0 HA THR A 10 -11.381 1.295 1.076 1.00 25.24 H new ATOM 0 HB THR A 10 -14.137 1.144 2.325 1.00 45.24 H new ATOM 0 HG1 THR A 10 -14.815 1.498 0.078 1.00 14.41 H new ATOM 0 HG21 THR A 10 -14.349 3.433 1.437 1.00 75.42 H new ATOM 0 HG22 THR A 10 -12.993 3.304 2.583 1.00 75.42 H new ATOM 0 HG23 THR A 10 -12.677 3.354 0.832 1.00 75.42 H new ATOM 133 N CYS A 11 -10.644 1.872 3.390 1.00 1.41 N ATOM 134 CA CYS A 11 -10.059 2.049 4.685 1.00 15.51 C ATOM 135 C CYS A 11 -10.375 3.439 5.201 1.00 13.31 C ATOM 136 O CYS A 11 -10.591 4.369 4.412 1.00 45.45 O ATOM 137 CB CYS A 11 -8.559 1.839 4.565 1.00 72.03 C ATOM 138 SG CYS A 11 -7.648 1.820 6.123 1.00 43.10 S ATOM 0 H CYS A 11 -10.234 2.448 2.654 1.00 1.41 H new ATOM 0 HA CYS A 11 -10.467 1.328 5.393 1.00 15.51 H new ATOM 0 HB2 CYS A 11 -8.382 0.895 4.050 1.00 72.03 H new ATOM 0 HB3 CYS A 11 -8.149 2.628 3.934 1.00 72.03 H new ATOM 143 N VAL A 12 -10.432 3.585 6.515 1.00 64.51 N ATOM 144 CA VAL A 12 -10.772 4.860 7.119 1.00 53.22 C ATOM 145 C VAL A 12 -9.634 5.407 7.983 1.00 4.42 C ATOM 146 O VAL A 12 -9.759 6.487 8.589 1.00 71.53 O ATOM 147 CB VAL A 12 -12.085 4.787 7.952 1.00 51.20 C ATOM 148 CG1 VAL A 12 -13.256 4.380 7.079 1.00 43.44 C ATOM 149 CG2 VAL A 12 -11.953 3.839 9.138 1.00 71.31 C ATOM 0 H VAL A 12 -10.247 2.836 7.182 1.00 64.51 H new ATOM 0 HA VAL A 12 -10.935 5.549 6.290 1.00 53.22 H new ATOM 0 HB VAL A 12 -12.272 5.786 8.346 1.00 51.20 H new ATOM 0 HG11 VAL A 12 -14.162 4.336 7.683 1.00 43.44 H new ATOM 0 HG12 VAL A 12 -13.387 5.111 6.282 1.00 43.44 H new ATOM 0 HG13 VAL A 12 -13.062 3.400 6.644 1.00 43.44 H new ATOM 0 HG21 VAL A 12 -12.891 3.817 9.693 1.00 71.31 H new ATOM 0 HG22 VAL A 12 -11.721 2.837 8.778 1.00 71.31 H new ATOM 0 HG23 VAL A 12 -11.153 4.184 9.792 1.00 71.31 H new ATOM 159 N SER A 13 -8.536 4.686 8.030 1.00 1.30 N ATOM 160 CA SER A 13 -7.390 5.101 8.808 1.00 4.13 C ATOM 161 C SER A 13 -6.197 5.293 7.899 1.00 0.21 C ATOM 162 O SER A 13 -6.116 4.667 6.849 1.00 55.14 O ATOM 163 CB SER A 13 -7.078 4.063 9.900 1.00 22.34 C ATOM 164 OG SER A 13 -6.866 2.764 9.344 1.00 23.24 O ATOM 0 H SER A 13 -8.412 3.803 7.535 1.00 1.30 H new ATOM 0 HA SER A 13 -7.616 6.049 9.296 1.00 4.13 H new ATOM 0 HB2 SER A 13 -6.191 4.372 10.454 1.00 22.34 H new ATOM 0 HB3 SER A 13 -7.902 4.025 10.613 1.00 22.34 H new ATOM 0 HG SER A 13 -7.022 2.793 8.377 1.00 23.24 H new ATOM 170 N LEU A 14 -5.302 6.172 8.275 1.00 33.14 N ATOM 171 CA LEU A 14 -4.096 6.413 7.518 1.00 75.13 C ATOM 172 C LEU A 14 -2.958 6.579 8.464 1.00 63.23 C ATOM 173 O LEU A 14 -3.055 7.351 9.420 1.00 31.11 O ATOM 174 CB LEU A 14 -4.235 7.685 6.681 1.00 10.52 C ATOM 175 CG LEU A 14 -5.331 7.669 5.634 1.00 32.13 C ATOM 176 CD1 LEU A 14 -5.483 9.029 5.000 1.00 22.34 C ATOM 177 CD2 LEU A 14 -5.021 6.643 4.578 1.00 32.11 C ATOM 0 H LEU A 14 -5.388 6.743 9.116 1.00 33.14 H new ATOM 0 HA LEU A 14 -3.920 5.568 6.852 1.00 75.13 H new ATOM 0 HB2 LEU A 14 -4.414 8.523 7.355 1.00 10.52 H new ATOM 0 HB3 LEU A 14 -3.285 7.875 6.182 1.00 10.52 H new ATOM 0 HG LEU A 14 -6.270 7.408 6.123 1.00 32.13 H new ATOM 0 HD11 LEU A 14 -6.275 8.995 4.252 1.00 22.34 H new ATOM 0 HD12 LEU A 14 -5.739 9.761 5.766 1.00 22.34 H new ATOM 0 HD13 LEU A 14 -4.545 9.315 4.523 1.00 22.34 H new ATOM 0 HD21 LEU A 14 -5.814 6.639 3.830 1.00 32.11 H new ATOM 0 HD22 LEU A 14 -4.073 6.888 4.100 1.00 32.11 H new ATOM 0 HD23 LEU A 14 -4.951 5.657 5.038 1.00 32.11 H new ATOM 189 N THR A 15 -1.900 5.858 8.252 1.00 50.12 N ATOM 190 CA THR A 15 -0.760 6.039 9.084 1.00 44.30 C ATOM 191 C THR A 15 0.056 7.192 8.524 1.00 31.13 C ATOM 192 O THR A 15 0.199 7.343 7.294 1.00 34.14 O ATOM 193 CB THR A 15 0.133 4.753 9.256 1.00 12.32 C ATOM 194 OG1 THR A 15 1.023 4.948 10.364 1.00 60.20 O ATOM 195 CG2 THR A 15 1.000 4.488 8.026 1.00 22.10 C ATOM 0 H THR A 15 -1.806 5.152 7.522 1.00 50.12 H new ATOM 0 HA THR A 15 -1.120 6.259 10.089 1.00 44.30 H new ATOM 0 HB THR A 15 -0.540 3.909 9.410 1.00 12.32 H new ATOM 0 HG1 THR A 15 1.582 4.151 10.479 1.00 60.20 H new ATOM 0 HG21 THR A 15 1.599 3.592 8.189 1.00 22.10 H new ATOM 0 HG22 THR A 15 0.361 4.344 7.155 1.00 22.10 H new ATOM 0 HG23 THR A 15 1.659 5.339 7.855 1.00 22.10 H new ATOM 203 N THR A 16 0.528 8.016 9.394 1.00 30.55 N ATOM 204 CA THR A 16 1.340 9.120 9.006 1.00 31.30 C ATOM 205 C THR A 16 2.804 8.757 9.274 1.00 1.24 C ATOM 206 O THR A 16 3.733 9.442 8.835 1.00 1.13 O ATOM 207 CB THR A 16 0.908 10.372 9.798 1.00 33.01 C ATOM 208 OG1 THR A 16 -0.514 10.530 9.633 1.00 12.24 O ATOM 209 CG2 THR A 16 1.589 11.621 9.268 1.00 54.54 C ATOM 0 H THR A 16 0.362 7.944 10.398 1.00 30.55 H new ATOM 0 HA THR A 16 1.223 9.342 7.945 1.00 31.30 H new ATOM 0 HB THR A 16 1.185 10.242 10.844 1.00 33.01 H new ATOM 0 HG1 THR A 16 -0.815 11.320 10.129 1.00 12.24 H new ATOM 0 HG21 THR A 16 1.264 12.486 9.846 1.00 54.54 H new ATOM 0 HG22 THR A 16 2.670 11.511 9.356 1.00 54.54 H new ATOM 0 HG23 THR A 16 1.323 11.764 8.221 1.00 54.54 H new ATOM 217 N GLN A 17 2.992 7.631 9.954 1.00 50.12 N ATOM 218 CA GLN A 17 4.313 7.151 10.277 1.00 62.20 C ATOM 219 C GLN A 17 4.865 6.383 9.103 1.00 62.14 C ATOM 220 O GLN A 17 4.147 6.148 8.133 1.00 54.42 O ATOM 221 CB GLN A 17 4.297 6.274 11.528 1.00 3.22 C ATOM 222 CG GLN A 17 3.727 6.946 12.765 1.00 25.34 C ATOM 223 CD GLN A 17 4.398 8.263 13.100 1.00 22.02 C ATOM 224 OE1 GLN A 17 5.577 8.480 12.810 1.00 11.54 O ATOM 225 NE2 GLN A 17 3.660 9.144 13.708 1.00 53.24 N ATOM 0 H GLN A 17 2.235 7.036 10.290 1.00 50.12 H new ATOM 0 HA GLN A 17 4.953 8.008 10.487 1.00 62.20 H new ATOM 0 HB2 GLN A 17 3.716 5.376 11.318 1.00 3.22 H new ATOM 0 HB3 GLN A 17 5.316 5.952 11.743 1.00 3.22 H new ATOM 0 HG2 GLN A 17 2.661 7.118 12.617 1.00 25.34 H new ATOM 0 HG3 GLN A 17 3.826 6.270 13.614 1.00 25.34 H new ATOM 0 HE21 GLN A 17 2.688 8.928 13.932 1.00 53.24 H new ATOM 0 HE22 GLN A 17 4.053 10.051 13.961 1.00 53.24 H new ATOM 234 N ARG A 18 6.115 5.982 9.172 1.00 15.44 N ATOM 235 CA ARG A 18 6.694 5.296 8.053 1.00 63.35 C ATOM 236 C ARG A 18 7.001 3.857 8.358 1.00 25.34 C ATOM 237 O ARG A 18 7.467 3.506 9.456 1.00 5.34 O ATOM 238 CB ARG A 18 7.970 5.957 7.557 1.00 1.25 C ATOM 239 CG ARG A 18 7.867 7.438 7.298 1.00 2.15 C ATOM 240 CD ARG A 18 9.037 7.913 6.474 1.00 0.33 C ATOM 241 NE ARG A 18 10.334 7.578 7.083 1.00 62.23 N ATOM 242 CZ ARG A 18 11.492 7.437 6.403 1.00 24.24 C ATOM 243 NH1 ARG A 18 11.547 7.696 5.095 1.00 71.43 N ATOM 244 NH2 ARG A 18 12.591 7.048 7.041 1.00 32.41 N ATOM 0 H ARG A 18 6.732 6.117 9.973 1.00 15.44 H new ATOM 0 HA ARG A 18 5.934 5.349 7.273 1.00 63.35 H new ATOM 0 HB2 ARG A 18 8.757 5.787 8.291 1.00 1.25 H new ATOM 0 HB3 ARG A 18 8.281 5.464 6.636 1.00 1.25 H new ATOM 0 HG2 ARG A 18 6.935 7.658 6.777 1.00 2.15 H new ATOM 0 HG3 ARG A 18 7.839 7.978 8.245 1.00 2.15 H new ATOM 0 HD2 ARG A 18 8.981 7.468 5.481 1.00 0.33 H new ATOM 0 HD3 ARG A 18 8.970 8.993 6.344 1.00 0.33 H new ATOM 0 HE ARG A 18 10.360 7.442 8.094 1.00 62.23 H new ATOM 0 HH11 ARG A 18 10.710 8.003 4.600 1.00 71.43 H new ATOM 0 HH12 ARG A 18 12.426 7.587 4.590 1.00 71.43 H new ATOM 0 HH21 ARG A 18 12.559 6.857 8.042 1.00 32.41 H new ATOM 0 HH22 ARG A 18 13.467 6.941 6.529 1.00 32.41 H new ATOM 258 N LEU A 19 6.748 3.040 7.393 1.00 75.25 N ATOM 259 CA LEU A 19 7.113 1.660 7.421 1.00 40.23 C ATOM 260 C LEU A 19 8.248 1.506 6.441 1.00 13.32 C ATOM 261 O LEU A 19 8.289 2.252 5.451 1.00 21.33 O ATOM 262 CB LEU A 19 5.939 0.735 6.985 1.00 71.31 C ATOM 263 CG LEU A 19 4.705 0.613 7.913 1.00 72.22 C ATOM 264 CD1 LEU A 19 3.955 1.928 8.072 1.00 42.00 C ATOM 265 CD2 LEU A 19 3.772 -0.468 7.398 1.00 62.42 C ATOM 0 H LEU A 19 6.268 3.319 6.537 1.00 75.25 H new ATOM 0 HA LEU A 19 7.387 1.371 8.436 1.00 40.23 H new ATOM 0 HB2 LEU A 19 5.589 1.081 6.013 1.00 71.31 H new ATOM 0 HB3 LEU A 19 6.344 -0.267 6.840 1.00 71.31 H new ATOM 0 HG LEU A 19 5.073 0.340 8.902 1.00 72.22 H new ATOM 0 HD11 LEU A 19 3.100 1.782 8.733 1.00 42.00 H new ATOM 0 HD12 LEU A 19 4.621 2.677 8.500 1.00 42.00 H new ATOM 0 HD13 LEU A 19 3.606 2.268 7.097 1.00 42.00 H new ATOM 0 HD21 LEU A 19 2.907 -0.547 8.057 1.00 62.42 H new ATOM 0 HD22 LEU A 19 3.440 -0.213 6.392 1.00 62.42 H new ATOM 0 HD23 LEU A 19 4.298 -1.422 7.375 1.00 62.42 H new ATOM 277 N PRO A 20 9.208 0.606 6.698 1.00 21.23 N ATOM 278 CA PRO A 20 10.286 0.343 5.750 1.00 32.43 C ATOM 279 C PRO A 20 9.696 -0.028 4.405 1.00 34.04 C ATOM 280 O PRO A 20 8.772 -0.856 4.337 1.00 24.21 O ATOM 281 CB PRO A 20 11.004 -0.872 6.331 1.00 4.34 C ATOM 282 CG PRO A 20 10.650 -0.901 7.769 1.00 31.22 C ATOM 283 CD PRO A 20 9.326 -0.195 7.921 1.00 24.51 C ATOM 0 HA PRO A 20 10.942 1.202 5.608 1.00 32.43 H new ATOM 0 HB2 PRO A 20 10.688 -1.788 5.832 1.00 4.34 H new ATOM 0 HB3 PRO A 20 12.082 -0.791 6.195 1.00 4.34 H new ATOM 0 HG2 PRO A 20 10.581 -1.928 8.127 1.00 31.22 H new ATOM 0 HG3 PRO A 20 11.419 -0.408 8.364 1.00 31.22 H new ATOM 0 HD2 PRO A 20 8.504 -0.905 8.014 1.00 24.51 H new ATOM 0 HD3 PRO A 20 9.308 0.432 8.812 1.00 24.51 H new ATOM 291 N CYS A 21 10.212 0.550 3.339 1.00 4.40 N ATOM 292 CA CYS A 21 9.653 0.299 2.021 1.00 21.11 C ATOM 293 C CYS A 21 9.922 -1.164 1.636 1.00 71.41 C ATOM 294 O CYS A 21 9.221 -1.752 0.822 1.00 52.23 O ATOM 295 CB CYS A 21 10.228 1.273 0.983 1.00 54.13 C ATOM 296 SG CYS A 21 9.222 1.477 -0.506 1.00 50.03 S ATOM 0 H CYS A 21 11.007 1.189 3.355 1.00 4.40 H new ATOM 0 HA CYS A 21 8.576 0.466 2.044 1.00 21.11 H new ATOM 0 HB2 CYS A 21 10.358 2.248 1.453 1.00 54.13 H new ATOM 0 HB3 CYS A 21 11.219 0.926 0.690 1.00 54.13 H new ATOM 301 N SER A 22 10.918 -1.758 2.293 1.00 72.43 N ATOM 302 CA SER A 22 11.269 -3.150 2.109 1.00 3.01 C ATOM 303 C SER A 22 10.167 -4.080 2.691 1.00 64.41 C ATOM 304 O SER A 22 10.129 -5.280 2.408 1.00 50.12 O ATOM 305 CB SER A 22 12.608 -3.400 2.791 1.00 63.33 C ATOM 306 OG SER A 22 13.574 -2.461 2.324 1.00 20.30 O ATOM 0 H SER A 22 11.505 -1.274 2.973 1.00 72.43 H new ATOM 0 HA SER A 22 11.350 -3.374 1.045 1.00 3.01 H new ATOM 0 HB2 SER A 22 12.497 -3.313 3.872 1.00 63.33 H new ATOM 0 HB3 SER A 22 12.946 -4.416 2.586 1.00 63.33 H new ATOM 0 HG SER A 22 14.432 -2.626 2.768 1.00 20.30 H new ATOM 312 N ARG A 23 9.272 -3.514 3.503 1.00 65.24 N ATOM 313 CA ARG A 23 8.156 -4.263 4.052 1.00 33.31 C ATOM 314 C ARG A 23 6.908 -4.108 3.185 1.00 30.02 C ATOM 315 O ARG A 23 5.913 -4.816 3.373 1.00 51.34 O ATOM 316 CB ARG A 23 7.891 -3.891 5.521 1.00 35.43 C ATOM 317 CG ARG A 23 8.971 -4.414 6.460 1.00 23.55 C ATOM 318 CD ARG A 23 8.794 -3.950 7.900 1.00 34.51 C ATOM 319 NE ARG A 23 7.501 -4.305 8.491 1.00 15.43 N ATOM 320 CZ ARG A 23 7.282 -4.443 9.809 1.00 53.00 C ATOM 321 NH1 ARG A 23 8.298 -4.428 10.669 1.00 51.33 N ATOM 322 NH2 ARG A 23 6.048 -4.621 10.258 1.00 1.31 N ATOM 0 H ARG A 23 9.305 -2.536 3.792 1.00 65.24 H new ATOM 0 HA ARG A 23 8.427 -5.319 4.041 1.00 33.31 H new ATOM 0 HB2 ARG A 23 7.829 -2.807 5.612 1.00 35.43 H new ATOM 0 HB3 ARG A 23 6.924 -4.292 5.825 1.00 35.43 H new ATOM 0 HG2 ARG A 23 8.969 -5.504 6.434 1.00 23.55 H new ATOM 0 HG3 ARG A 23 9.946 -4.088 6.098 1.00 23.55 H new ATOM 0 HD2 ARG A 23 9.589 -4.380 8.509 1.00 34.51 H new ATOM 0 HD3 ARG A 23 8.913 -2.867 7.938 1.00 34.51 H new ATOM 0 HE ARG A 23 6.715 -4.457 7.859 1.00 15.43 H new ATOM 0 HH11 ARG A 23 9.252 -4.311 10.329 1.00 51.33 H new ATOM 0 HH12 ARG A 23 8.122 -4.533 11.668 1.00 51.33 H new ATOM 0 HH21 ARG A 23 5.267 -4.653 9.603 1.00 1.31 H new ATOM 0 HH22 ARG A 23 5.880 -4.726 11.258 1.00 1.31 H new ATOM 336 N ILE A 24 6.971 -3.186 2.237 1.00 51.04 N ATOM 337 CA ILE A 24 5.888 -2.961 1.287 1.00 3.11 C ATOM 338 C ILE A 24 5.902 -4.086 0.255 1.00 10.11 C ATOM 339 O ILE A 24 6.972 -4.462 -0.239 1.00 74.34 O ATOM 340 CB ILE A 24 6.070 -1.614 0.519 1.00 54.55 C ATOM 341 CG1 ILE A 24 6.020 -0.387 1.459 1.00 5.21 C ATOM 342 CG2 ILE A 24 5.029 -1.495 -0.587 1.00 50.14 C ATOM 343 CD1 ILE A 24 4.656 -0.064 2.016 1.00 22.41 C ATOM 0 H ILE A 24 7.774 -2.571 2.103 1.00 51.04 H new ATOM 0 HA ILE A 24 4.951 -2.930 1.844 1.00 3.11 H new ATOM 0 HB ILE A 24 7.064 -1.624 0.072 1.00 54.55 H new ATOM 0 HG12 ILE A 24 6.704 -0.557 2.290 1.00 5.21 H new ATOM 0 HG13 ILE A 24 6.389 0.483 0.916 1.00 5.21 H new ATOM 0 HG21 ILE A 24 5.166 -0.552 -1.116 1.00 50.14 H new ATOM 0 HG22 ILE A 24 5.145 -2.323 -1.286 1.00 50.14 H new ATOM 0 HG23 ILE A 24 4.030 -1.525 -0.151 1.00 50.14 H new ATOM 0 HD11 ILE A 24 4.725 0.811 2.662 1.00 22.41 H new ATOM 0 HD12 ILE A 24 3.968 0.144 1.196 1.00 22.41 H new ATOM 0 HD13 ILE A 24 4.288 -0.913 2.592 1.00 22.41 H new ATOM 355 N LYS A 25 4.747 -4.633 -0.054 1.00 2.15 N ATOM 356 CA LYS A 25 4.671 -5.664 -1.057 1.00 11.40 C ATOM 357 C LYS A 25 3.855 -5.124 -2.230 1.00 54.45 C ATOM 358 O LYS A 25 4.313 -5.113 -3.362 1.00 51.11 O ATOM 359 CB LYS A 25 4.039 -6.928 -0.452 1.00 44.03 C ATOM 360 CG LYS A 25 4.278 -8.248 -1.233 1.00 1.54 C ATOM 361 CD LYS A 25 3.544 -8.318 -2.564 1.00 3.32 C ATOM 362 CE LYS A 25 2.044 -8.512 -2.389 1.00 0.31 C ATOM 363 NZ LYS A 25 1.718 -9.793 -1.734 1.00 41.31 N ATOM 0 H LYS A 25 3.855 -4.381 0.373 1.00 2.15 H new ATOM 0 HA LYS A 25 5.663 -5.939 -1.415 1.00 11.40 H new ATOM 0 HB2 LYS A 25 4.423 -7.053 0.560 1.00 44.03 H new ATOM 0 HB3 LYS A 25 2.964 -6.768 -0.368 1.00 44.03 H new ATOM 0 HG2 LYS A 25 5.347 -8.364 -1.412 1.00 1.54 H new ATOM 0 HG3 LYS A 25 3.966 -9.088 -0.612 1.00 1.54 H new ATOM 0 HD2 LYS A 25 3.726 -7.401 -3.125 1.00 3.32 H new ATOM 0 HD3 LYS A 25 3.947 -9.140 -3.156 1.00 3.32 H new ATOM 0 HE2 LYS A 25 1.640 -7.691 -1.797 1.00 0.31 H new ATOM 0 HE3 LYS A 25 1.558 -8.471 -3.364 1.00 0.31 H new ATOM 0 HZ1 LYS A 25 0.719 -10.026 -1.905 1.00 41.31 H new ATOM 0 HZ2 LYS A 25 2.320 -10.546 -2.124 1.00 41.31 H new ATOM 0 HZ3 LYS A 25 1.885 -9.712 -0.711 1.00 41.31 H new ATOM 377 N THR A 26 2.655 -4.665 -1.950 1.00 0.21 N ATOM 378 CA THR A 26 1.804 -4.103 -2.971 1.00 14.35 C ATOM 379 C THR A 26 0.888 -3.077 -2.320 1.00 72.13 C ATOM 380 O THR A 26 0.800 -3.025 -1.094 1.00 55.25 O ATOM 381 CB THR A 26 0.960 -5.192 -3.703 1.00 53.53 C ATOM 382 OG1 THR A 26 0.365 -4.636 -4.876 1.00 71.40 O ATOM 383 CG2 THR A 26 -0.155 -5.726 -2.809 1.00 42.02 C ATOM 0 H THR A 26 2.246 -4.671 -1.016 1.00 0.21 H new ATOM 0 HA THR A 26 2.433 -3.634 -3.728 1.00 14.35 H new ATOM 0 HB THR A 26 1.633 -6.010 -3.962 1.00 53.53 H new ATOM 0 HG1 THR A 26 -0.162 -5.324 -5.333 1.00 71.40 H new ATOM 0 HG21 THR A 26 -0.724 -6.483 -3.349 1.00 42.02 H new ATOM 0 HG22 THR A 26 0.278 -6.169 -1.912 1.00 42.02 H new ATOM 0 HG23 THR A 26 -0.817 -4.908 -2.526 1.00 42.02 H new ATOM 391 N TYR A 27 0.234 -2.272 -3.111 1.00 63.01 N ATOM 392 CA TYR A 27 -0.647 -1.260 -2.584 1.00 31.10 C ATOM 393 C TYR A 27 -1.946 -1.241 -3.376 1.00 34.45 C ATOM 394 O TYR A 27 -2.040 -1.822 -4.450 1.00 1.33 O ATOM 395 CB TYR A 27 0.000 0.133 -2.648 1.00 51.42 C ATOM 396 CG TYR A 27 0.233 0.615 -4.039 1.00 31.34 C ATOM 397 CD1 TYR A 27 -0.751 1.321 -4.693 1.00 50.12 C ATOM 398 CD2 TYR A 27 1.413 0.359 -4.704 1.00 32.34 C ATOM 399 CE1 TYR A 27 -0.589 1.766 -5.955 1.00 43.33 C ATOM 400 CE2 TYR A 27 1.595 0.803 -5.996 1.00 25.13 C ATOM 401 CZ TYR A 27 0.580 1.510 -6.619 1.00 71.43 C ATOM 402 OH TYR A 27 0.746 1.967 -7.900 1.00 64.10 O ATOM 0 H TYR A 27 0.293 -2.296 -4.129 1.00 63.01 H new ATOM 0 HA TYR A 27 -0.847 -1.504 -1.541 1.00 31.10 H new ATOM 0 HB2 TYR A 27 -0.639 0.846 -2.127 1.00 51.42 H new ATOM 0 HB3 TYR A 27 0.951 0.108 -2.116 1.00 51.42 H new ATOM 0 HD1 TYR A 27 -1.680 1.524 -4.180 1.00 50.12 H new ATOM 0 HD2 TYR A 27 2.199 -0.193 -4.210 1.00 32.34 H new ATOM 0 HE1 TYR A 27 -1.378 2.322 -6.440 1.00 43.33 H new ATOM 0 HE2 TYR A 27 2.519 0.602 -6.517 1.00 25.13 H new ATOM 0 HH TYR A 27 -0.124 2.006 -8.349 1.00 64.10 H new ATOM 412 N THR A 28 -2.916 -0.605 -2.825 1.00 52.04 N ATOM 413 CA THR A 28 -4.176 -0.384 -3.448 1.00 0.35 C ATOM 414 C THR A 28 -4.623 1.035 -3.092 1.00 52.05 C ATOM 415 O THR A 28 -4.791 1.358 -1.913 1.00 62.12 O ATOM 416 CB THR A 28 -5.211 -1.400 -2.943 1.00 10.14 C ATOM 417 OG1 THR A 28 -4.680 -2.737 -3.100 1.00 32.45 O ATOM 418 CG2 THR A 28 -6.512 -1.286 -3.732 1.00 54.54 C ATOM 0 H THR A 28 -2.853 -0.207 -1.888 1.00 52.04 H new ATOM 0 HA THR A 28 -4.089 -0.504 -4.528 1.00 0.35 H new ATOM 0 HB THR A 28 -5.418 -1.194 -1.893 1.00 10.14 H new ATOM 0 HG1 THR A 28 -5.336 -3.390 -2.778 1.00 32.45 H new ATOM 0 HG21 THR A 28 -7.230 -2.015 -3.357 1.00 54.54 H new ATOM 0 HG22 THR A 28 -6.921 -0.282 -3.617 1.00 54.54 H new ATOM 0 HG23 THR A 28 -6.316 -1.479 -4.787 1.00 54.54 H new ATOM 426 N ILE A 29 -4.768 1.872 -4.064 1.00 44.41 N ATOM 427 CA ILE A 29 -5.206 3.230 -3.820 1.00 1.45 C ATOM 428 C ILE A 29 -6.709 3.314 -3.961 1.00 15.52 C ATOM 429 O ILE A 29 -7.279 2.896 -4.982 1.00 45.51 O ATOM 430 CB ILE A 29 -4.526 4.265 -4.765 1.00 11.42 C ATOM 431 CG1 ILE A 29 -3.009 4.268 -4.557 1.00 63.10 C ATOM 432 CG2 ILE A 29 -5.094 5.668 -4.535 1.00 22.24 C ATOM 433 CD1 ILE A 29 -2.267 5.231 -5.469 1.00 34.21 C ATOM 0 H ILE A 29 -4.592 1.650 -5.044 1.00 44.41 H new ATOM 0 HA ILE A 29 -4.907 3.485 -2.803 1.00 1.45 H new ATOM 0 HB ILE A 29 -4.737 3.972 -5.794 1.00 11.42 H new ATOM 0 HG12 ILE A 29 -2.794 4.526 -3.520 1.00 63.10 H new ATOM 0 HG13 ILE A 29 -2.627 3.260 -4.720 1.00 63.10 H new ATOM 0 HG21 ILE A 29 -4.604 6.373 -5.206 1.00 22.24 H new ATOM 0 HG22 ILE A 29 -6.166 5.664 -4.733 1.00 22.24 H new ATOM 0 HG23 ILE A 29 -4.917 5.967 -3.502 1.00 22.24 H new ATOM 0 HD11 ILE A 29 -1.198 5.177 -5.263 1.00 34.21 H new ATOM 0 HD12 ILE A 29 -2.450 4.961 -6.509 1.00 34.21 H new ATOM 0 HD13 ILE A 29 -2.620 6.247 -5.290 1.00 34.21 H new ATOM 445 N THR A 30 -7.338 3.833 -2.956 1.00 62.13 N ATOM 446 CA THR A 30 -8.754 3.966 -2.957 1.00 31.53 C ATOM 447 C THR A 30 -9.154 5.391 -3.253 1.00 24.51 C ATOM 448 O THR A 30 -8.458 6.341 -2.863 1.00 41.41 O ATOM 449 CB THR A 30 -9.358 3.514 -1.613 1.00 23.32 C ATOM 450 OG1 THR A 30 -8.682 4.164 -0.527 1.00 64.41 O ATOM 451 CG2 THR A 30 -9.250 2.011 -1.455 1.00 44.11 C ATOM 0 H THR A 30 -6.881 4.176 -2.111 1.00 62.13 H new ATOM 0 HA THR A 30 -9.147 3.320 -3.742 1.00 31.53 H new ATOM 0 HB THR A 30 -10.412 3.791 -1.601 1.00 23.32 H new ATOM 0 HG1 THR A 30 -7.721 3.980 -0.583 1.00 64.41 H new ATOM 0 HG21 THR A 30 -9.682 1.714 -0.500 1.00 44.11 H new ATOM 0 HG22 THR A 30 -9.789 1.520 -2.266 1.00 44.11 H new ATOM 0 HG23 THR A 30 -8.201 1.716 -1.486 1.00 44.11 H new ATOM 459 N GLU A 31 -10.235 5.543 -3.968 1.00 61.33 N ATOM 460 CA GLU A 31 -10.733 6.837 -4.292 1.00 4.33 C ATOM 461 C GLU A 31 -12.220 6.902 -4.019 1.00 24.33 C ATOM 462 O GLU A 31 -12.932 5.896 -4.129 1.00 62.42 O ATOM 463 CB GLU A 31 -10.424 7.212 -5.746 1.00 4.42 C ATOM 464 CG GLU A 31 -11.029 6.279 -6.785 1.00 34.54 C ATOM 465 CD GLU A 31 -10.783 6.754 -8.188 1.00 62.53 C ATOM 466 OE1 GLU A 31 -11.555 7.614 -8.670 1.00 70.33 O ATOM 467 OE2 GLU A 31 -9.817 6.291 -8.823 1.00 11.10 O ATOM 0 H GLU A 31 -10.789 4.771 -4.338 1.00 61.33 H new ATOM 0 HA GLU A 31 -10.227 7.565 -3.658 1.00 4.33 H new ATOM 0 HB2 GLU A 31 -10.786 8.223 -5.931 1.00 4.42 H new ATOM 0 HB3 GLU A 31 -9.342 7.231 -5.880 1.00 4.42 H new ATOM 0 HG2 GLU A 31 -10.609 5.281 -6.663 1.00 34.54 H new ATOM 0 HG3 GLU A 31 -12.102 6.196 -6.615 1.00 34.54 H new ATOM 474 N GLY A 32 -12.666 8.051 -3.623 1.00 4.15 N ATOM 475 CA GLY A 32 -14.050 8.270 -3.355 1.00 5.25 C ATOM 476 C GLY A 32 -14.223 8.875 -2.001 1.00 53.34 C ATOM 477 O GLY A 32 -14.228 10.095 -1.850 1.00 24.24 O ATOM 0 H GLY A 32 -12.075 8.869 -3.476 1.00 4.15 H new ATOM 0 HA2 GLY A 32 -14.475 8.928 -4.113 1.00 5.25 H new ATOM 0 HA3 GLY A 32 -14.593 7.326 -3.412 1.00 5.25 H new ATOM 481 N SER A 33 -14.316 8.042 -1.020 1.00 13.43 N ATOM 482 CA SER A 33 -14.461 8.486 0.335 1.00 55.52 C ATOM 483 C SER A 33 -13.144 8.290 1.062 1.00 52.12 C ATOM 484 O SER A 33 -12.822 7.170 1.455 1.00 33.12 O ATOM 485 CB SER A 33 -15.572 7.698 1.025 1.00 43.13 C ATOM 486 OG SER A 33 -16.790 7.777 0.278 1.00 35.23 O ATOM 0 H SER A 33 -14.294 7.028 -1.131 1.00 13.43 H new ATOM 0 HA SER A 33 -14.728 9.543 0.351 1.00 55.52 H new ATOM 0 HB2 SER A 33 -15.272 6.655 1.132 1.00 43.13 H new ATOM 0 HB3 SER A 33 -15.731 8.088 2.030 1.00 43.13 H new ATOM 0 HG SER A 33 -17.488 7.264 0.736 1.00 35.23 H new ATOM 492 N LEU A 34 -12.380 9.380 1.190 1.00 74.53 N ATOM 493 CA LEU A 34 -11.053 9.391 1.828 1.00 60.53 C ATOM 494 C LEU A 34 -10.057 8.532 1.038 1.00 22.50 C ATOM 495 O LEU A 34 -10.087 7.307 1.097 1.00 15.21 O ATOM 496 CB LEU A 34 -11.117 8.938 3.304 1.00 73.23 C ATOM 497 CG LEU A 34 -9.818 9.007 4.096 1.00 23.52 C ATOM 498 CD1 LEU A 34 -9.328 10.444 4.217 1.00 70.21 C ATOM 499 CD2 LEU A 34 -9.987 8.375 5.466 1.00 65.12 C ATOM 0 H LEU A 34 -12.669 10.297 0.848 1.00 74.53 H new ATOM 0 HA LEU A 34 -10.701 10.423 1.820 1.00 60.53 H new ATOM 0 HB2 LEU A 34 -11.861 9.549 3.816 1.00 73.23 H new ATOM 0 HB3 LEU A 34 -11.477 7.910 3.329 1.00 73.23 H new ATOM 0 HG LEU A 34 -9.062 8.440 3.553 1.00 23.52 H new ATOM 0 HD11 LEU A 34 -8.399 10.465 4.787 1.00 70.21 H new ATOM 0 HD12 LEU A 34 -9.153 10.854 3.222 1.00 70.21 H new ATOM 0 HD13 LEU A 34 -10.081 11.043 4.729 1.00 70.21 H new ATOM 0 HD21 LEU A 34 -9.046 8.436 6.013 1.00 65.12 H new ATOM 0 HD22 LEU A 34 -10.763 8.905 6.018 1.00 65.12 H new ATOM 0 HD23 LEU A 34 -10.273 7.329 5.352 1.00 65.12 H new ATOM 511 N ARG A 35 -9.197 9.183 0.289 1.00 45.13 N ATOM 512 CA ARG A 35 -8.201 8.482 -0.495 1.00 21.40 C ATOM 513 C ARG A 35 -7.164 7.860 0.403 1.00 41.32 C ATOM 514 O ARG A 35 -6.394 8.565 1.066 1.00 13.21 O ATOM 515 CB ARG A 35 -7.535 9.398 -1.526 1.00 71.00 C ATOM 516 CG ARG A 35 -8.466 9.871 -2.620 1.00 3.42 C ATOM 517 CD ARG A 35 -7.746 10.757 -3.621 1.00 35.41 C ATOM 518 NE ARG A 35 -8.619 11.137 -4.737 1.00 74.45 N ATOM 519 CZ ARG A 35 -8.195 11.456 -5.969 1.00 54.22 C ATOM 520 NH1 ARG A 35 -6.899 11.502 -6.238 1.00 12.53 N ATOM 521 NH2 ARG A 35 -9.076 11.734 -6.922 1.00 30.03 N ATOM 0 H ARG A 35 -9.165 10.199 0.205 1.00 45.13 H new ATOM 0 HA ARG A 35 -8.715 7.692 -1.043 1.00 21.40 H new ATOM 0 HB2 ARG A 35 -7.123 10.267 -1.013 1.00 71.00 H new ATOM 0 HB3 ARG A 35 -6.697 8.869 -1.980 1.00 71.00 H new ATOM 0 HG2 ARG A 35 -8.891 9.009 -3.135 1.00 3.42 H new ATOM 0 HG3 ARG A 35 -9.298 10.420 -2.179 1.00 3.42 H new ATOM 0 HD2 ARG A 35 -7.386 11.655 -3.119 1.00 35.41 H new ATOM 0 HD3 ARG A 35 -6.870 10.234 -4.006 1.00 35.41 H new ATOM 0 HE ARG A 35 -9.624 11.160 -4.563 1.00 74.45 H new ATOM 0 HH11 ARG A 35 -6.219 11.294 -5.507 1.00 12.53 H new ATOM 0 HH12 ARG A 35 -6.581 11.745 -7.176 1.00 12.53 H new ATOM 0 HH21 ARG A 35 -10.075 11.705 -6.717 1.00 30.03 H new ATOM 0 HH22 ARG A 35 -8.754 11.977 -7.859 1.00 30.03 H new ATOM 535 N ALA A 36 -7.159 6.565 0.446 1.00 23.43 N ATOM 536 CA ALA A 36 -6.240 5.841 1.262 1.00 62.32 C ATOM 537 C ALA A 36 -5.417 4.910 0.424 1.00 45.34 C ATOM 538 O ALA A 36 -5.946 4.242 -0.479 1.00 65.04 O ATOM 539 CB ALA A 36 -6.993 5.044 2.307 1.00 62.23 C ATOM 0 H ALA A 36 -7.798 5.977 -0.089 1.00 23.43 H new ATOM 0 HA ALA A 36 -5.579 6.555 1.754 1.00 62.32 H new ATOM 0 HB1 ALA A 36 -6.284 4.494 2.926 1.00 62.23 H new ATOM 0 HB2 ALA A 36 -7.572 5.722 2.934 1.00 62.23 H new ATOM 0 HB3 ALA A 36 -7.665 4.342 1.814 1.00 62.23 H new ATOM 545 N VAL A 37 -4.136 4.877 0.676 1.00 71.31 N ATOM 546 CA VAL A 37 -3.287 3.950 0.014 1.00 62.35 C ATOM 547 C VAL A 37 -3.134 2.773 0.940 1.00 22.51 C ATOM 548 O VAL A 37 -2.578 2.900 2.027 1.00 50.11 O ATOM 549 CB VAL A 37 -1.896 4.541 -0.260 1.00 32.34 C ATOM 550 CG1 VAL A 37 -1.089 3.603 -1.122 1.00 4.12 C ATOM 551 CG2 VAL A 37 -1.993 5.915 -0.887 1.00 54.23 C ATOM 0 H VAL A 37 -3.664 5.490 1.341 1.00 71.31 H new ATOM 0 HA VAL A 37 -3.723 3.678 -0.947 1.00 62.35 H new ATOM 0 HB VAL A 37 -1.382 4.658 0.694 1.00 32.34 H new ATOM 0 HG11 VAL A 37 -0.106 4.035 -1.308 1.00 4.12 H new ATOM 0 HG12 VAL A 37 -0.975 2.647 -0.611 1.00 4.12 H new ATOM 0 HG13 VAL A 37 -1.603 3.448 -2.071 1.00 4.12 H new ATOM 0 HG21 VAL A 37 -0.991 6.304 -1.068 1.00 54.23 H new ATOM 0 HG22 VAL A 37 -2.531 5.846 -1.832 1.00 54.23 H new ATOM 0 HG23 VAL A 37 -2.527 6.586 -0.213 1.00 54.23 H new ATOM 561 N ILE A 38 -3.637 1.662 0.544 1.00 73.41 N ATOM 562 CA ILE A 38 -3.587 0.501 1.374 1.00 71.02 C ATOM 563 C ILE A 38 -2.445 -0.386 0.927 1.00 63.44 C ATOM 564 O ILE A 38 -2.458 -0.914 -0.168 1.00 14.43 O ATOM 565 CB ILE A 38 -4.931 -0.276 1.331 1.00 73.45 C ATOM 566 CG1 ILE A 38 -6.086 0.668 1.702 1.00 43.33 C ATOM 567 CG2 ILE A 38 -4.902 -1.468 2.288 1.00 14.41 C ATOM 568 CD1 ILE A 38 -7.449 0.017 1.670 1.00 33.14 C ATOM 0 H ILE A 38 -4.094 1.525 -0.358 1.00 73.41 H new ATOM 0 HA ILE A 38 -3.421 0.813 2.405 1.00 71.02 H new ATOM 0 HB ILE A 38 -5.081 -0.654 0.320 1.00 73.45 H new ATOM 0 HG12 ILE A 38 -5.909 1.066 2.701 1.00 43.33 H new ATOM 0 HG13 ILE A 38 -6.083 1.515 1.016 1.00 43.33 H new ATOM 0 HG21 ILE A 38 -5.854 -1.996 2.240 1.00 14.41 H new ATOM 0 HG22 ILE A 38 -4.097 -2.145 2.002 1.00 14.41 H new ATOM 0 HG23 ILE A 38 -4.734 -1.114 3.305 1.00 14.41 H new ATOM 0 HD11 ILE A 38 -8.209 0.749 1.944 1.00 33.14 H new ATOM 0 HD12 ILE A 38 -7.650 -0.357 0.666 1.00 33.14 H new ATOM 0 HD13 ILE A 38 -7.473 -0.812 2.377 1.00 33.14 H new ATOM 580 N PHE A 39 -1.462 -0.503 1.761 1.00 51.02 N ATOM 581 CA PHE A 39 -0.314 -1.306 1.483 1.00 25.10 C ATOM 582 C PHE A 39 -0.429 -2.626 2.121 1.00 14.41 C ATOM 583 O PHE A 39 -0.658 -2.735 3.323 1.00 34.44 O ATOM 584 CB PHE A 39 0.972 -0.653 1.954 1.00 34.32 C ATOM 585 CG PHE A 39 1.391 0.509 1.148 1.00 0.32 C ATOM 586 CD1 PHE A 39 2.024 0.307 -0.056 1.00 74.52 C ATOM 587 CD2 PHE A 39 1.175 1.787 1.581 1.00 41.33 C ATOM 588 CE1 PHE A 39 2.433 1.361 -0.822 1.00 34.23 C ATOM 589 CE2 PHE A 39 1.579 2.849 0.823 1.00 4.43 C ATOM 590 CZ PHE A 39 2.214 2.630 -0.390 1.00 10.45 C ATOM 0 H PHE A 39 -1.433 -0.037 2.668 1.00 51.02 H new ATOM 0 HA PHE A 39 -0.274 -1.416 0.399 1.00 25.10 H new ATOM 0 HB2 PHE A 39 0.847 -0.337 2.990 1.00 34.32 H new ATOM 0 HB3 PHE A 39 1.769 -1.396 1.941 1.00 34.32 H new ATOM 0 HD1 PHE A 39 2.200 -0.701 -0.401 1.00 74.52 H new ATOM 0 HD2 PHE A 39 0.683 1.958 2.527 1.00 41.33 H new ATOM 0 HE1 PHE A 39 2.928 1.187 -1.766 1.00 34.23 H new ATOM 0 HE2 PHE A 39 1.404 3.857 1.168 1.00 4.43 H new ATOM 0 HZ PHE A 39 2.534 3.468 -0.991 1.00 10.45 H new ATOM 600 N ILE A 40 -0.269 -3.627 1.352 1.00 0.40 N ATOM 601 CA ILE A 40 -0.269 -4.919 1.880 1.00 33.24 C ATOM 602 C ILE A 40 1.171 -5.241 2.131 1.00 64.04 C ATOM 603 O ILE A 40 2.001 -5.187 1.204 1.00 2.41 O ATOM 604 CB ILE A 40 -0.870 -5.964 0.925 1.00 21.30 C ATOM 605 CG1 ILE A 40 -2.153 -5.423 0.256 1.00 70.51 C ATOM 606 CG2 ILE A 40 -1.195 -7.222 1.730 1.00 31.15 C ATOM 607 CD1 ILE A 40 -3.255 -5.013 1.221 1.00 25.11 C ATOM 0 H ILE A 40 -0.135 -3.570 0.342 1.00 0.40 H new ATOM 0 HA ILE A 40 -0.886 -4.953 2.778 1.00 33.24 H new ATOM 0 HB ILE A 40 -0.151 -6.192 0.138 1.00 21.30 H new ATOM 0 HG12 ILE A 40 -1.889 -4.562 -0.358 1.00 70.51 H new ATOM 0 HG13 ILE A 40 -2.544 -6.187 -0.416 1.00 70.51 H new ATOM 0 HG21 ILE A 40 -1.623 -7.976 1.070 1.00 31.15 H new ATOM 0 HG22 ILE A 40 -0.282 -7.611 2.182 1.00 31.15 H new ATOM 0 HG23 ILE A 40 -1.912 -6.977 2.514 1.00 31.15 H new ATOM 0 HD11 ILE A 40 -4.114 -4.647 0.658 1.00 25.11 H new ATOM 0 HD12 ILE A 40 -3.554 -5.874 1.819 1.00 25.11 H new ATOM 0 HD13 ILE A 40 -2.889 -4.224 1.878 1.00 25.11 H new ATOM 619 N THR A 41 1.488 -5.512 3.344 1.00 22.21 N ATOM 620 CA THR A 41 2.828 -5.766 3.702 1.00 44.35 C ATOM 621 C THR A 41 3.139 -7.246 3.411 1.00 4.22 C ATOM 622 O THR A 41 2.215 -8.065 3.307 1.00 64.12 O ATOM 623 CB THR A 41 3.071 -5.390 5.196 1.00 51.23 C ATOM 624 OG1 THR A 41 4.460 -5.425 5.496 1.00 22.32 O ATOM 625 CG2 THR A 41 2.335 -6.334 6.138 1.00 70.41 C ATOM 0 H THR A 41 0.822 -5.563 4.115 1.00 22.21 H new ATOM 0 HA THR A 41 3.506 -5.148 3.113 1.00 44.35 H new ATOM 0 HB THR A 41 2.686 -4.381 5.342 1.00 51.23 H new ATOM 0 HG1 THR A 41 4.976 -5.388 4.663 1.00 22.32 H new ATOM 0 HG21 THR A 41 2.528 -6.041 7.170 1.00 70.41 H new ATOM 0 HG22 THR A 41 1.264 -6.284 5.940 1.00 70.41 H new ATOM 0 HG23 THR A 41 2.686 -7.354 5.979 1.00 70.41 H new ATOM 633 N LYS A 42 4.416 -7.584 3.286 1.00 3.35 N ATOM 634 CA LYS A 42 4.854 -8.948 2.911 1.00 4.02 C ATOM 635 C LYS A 42 4.427 -10.023 3.924 1.00 74.41 C ATOM 636 O LYS A 42 4.474 -11.223 3.630 1.00 62.30 O ATOM 637 CB LYS A 42 6.364 -8.977 2.677 1.00 43.25 C ATOM 638 CG LYS A 42 6.808 -8.067 1.545 1.00 61.35 C ATOM 639 CD LYS A 42 8.313 -8.064 1.356 1.00 43.53 C ATOM 640 CE LYS A 42 8.694 -7.157 0.196 1.00 43.33 C ATOM 641 NZ LYS A 42 10.155 -7.056 0.013 1.00 10.40 N ATOM 0 H LYS A 42 5.185 -6.932 3.438 1.00 3.35 H new ATOM 0 HA LYS A 42 4.345 -9.197 1.980 1.00 4.02 H new ATOM 0 HB2 LYS A 42 6.874 -8.682 3.594 1.00 43.25 H new ATOM 0 HB3 LYS A 42 6.672 -9.999 2.456 1.00 43.25 H new ATOM 0 HG2 LYS A 42 6.330 -8.385 0.619 1.00 61.35 H new ATOM 0 HG3 LYS A 42 6.469 -7.051 1.746 1.00 61.35 H new ATOM 0 HD2 LYS A 42 8.801 -7.723 2.269 1.00 43.53 H new ATOM 0 HD3 LYS A 42 8.665 -9.078 1.166 1.00 43.53 H new ATOM 0 HE2 LYS A 42 8.242 -7.536 -0.721 1.00 43.33 H new ATOM 0 HE3 LYS A 42 8.283 -6.162 0.367 1.00 43.33 H new ATOM 0 HZ1 LYS A 42 10.360 -6.631 -0.914 1.00 10.40 H new ATOM 0 HZ2 LYS A 42 10.559 -6.460 0.764 1.00 10.40 H new ATOM 0 HZ3 LYS A 42 10.577 -8.005 0.060 1.00 10.40 H new ATOM 655 N ARG A 43 4.005 -9.595 5.096 1.00 10.52 N ATOM 656 CA ARG A 43 3.520 -10.505 6.119 1.00 33.30 C ATOM 657 C ARG A 43 2.051 -10.904 5.834 1.00 44.42 C ATOM 658 O ARG A 43 1.505 -11.789 6.466 1.00 61.54 O ATOM 659 CB ARG A 43 3.673 -9.864 7.501 1.00 70.23 C ATOM 660 CG ARG A 43 3.341 -10.772 8.667 1.00 1.45 C ATOM 661 CD ARG A 43 3.564 -10.064 9.982 1.00 23.13 C ATOM 662 NE ARG A 43 3.300 -10.933 11.125 1.00 33.42 N ATOM 663 CZ ARG A 43 3.534 -10.598 12.399 1.00 32.41 C ATOM 664 NH1 ARG A 43 4.039 -9.404 12.698 1.00 73.42 N ATOM 665 NH2 ARG A 43 3.277 -11.458 13.372 1.00 74.02 N ATOM 0 H ARG A 43 3.987 -8.612 5.368 1.00 10.52 H new ATOM 0 HA ARG A 43 4.116 -11.417 6.102 1.00 33.30 H new ATOM 0 HB2 ARG A 43 4.700 -9.516 7.612 1.00 70.23 H new ATOM 0 HB3 ARG A 43 3.031 -8.985 7.550 1.00 70.23 H new ATOM 0 HG2 ARG A 43 2.303 -11.097 8.596 1.00 1.45 H new ATOM 0 HG3 ARG A 43 3.959 -11.668 8.623 1.00 1.45 H new ATOM 0 HD2 ARG A 43 4.592 -9.705 10.030 1.00 23.13 H new ATOM 0 HD3 ARG A 43 2.917 -9.188 10.036 1.00 23.13 H new ATOM 0 HE ARG A 43 2.911 -11.858 10.940 1.00 33.42 H new ATOM 0 HH11 ARG A 43 4.250 -8.739 11.954 1.00 73.42 H new ATOM 0 HH12 ARG A 43 4.215 -9.154 13.671 1.00 73.42 H new ATOM 0 HH21 ARG A 43 2.899 -12.380 13.152 1.00 74.02 H new ATOM 0 HH22 ARG A 43 3.457 -11.199 14.342 1.00 74.02 H new ATOM 679 N GLY A 44 1.436 -10.236 4.871 1.00 40.25 N ATOM 680 CA GLY A 44 0.076 -10.576 4.468 1.00 35.33 C ATOM 681 C GLY A 44 -0.967 -9.677 5.076 1.00 11.40 C ATOM 682 O GLY A 44 -2.156 -9.832 4.816 1.00 33.11 O ATOM 0 H GLY A 44 1.851 -9.460 4.355 1.00 40.25 H new ATOM 0 HA2 GLY A 44 0.002 -10.524 3.382 1.00 35.33 H new ATOM 0 HA3 GLY A 44 -0.133 -11.607 4.752 1.00 35.33 H new ATOM 686 N LEU A 45 -0.537 -8.749 5.879 1.00 25.53 N ATOM 687 CA LEU A 45 -1.449 -7.822 6.504 1.00 51.51 C ATOM 688 C LEU A 45 -1.589 -6.591 5.686 1.00 21.02 C ATOM 689 O LEU A 45 -0.686 -6.205 4.943 1.00 0.43 O ATOM 690 CB LEU A 45 -1.005 -7.475 7.908 1.00 70.45 C ATOM 691 CG LEU A 45 -0.957 -8.633 8.893 1.00 33.44 C ATOM 692 CD1 LEU A 45 -0.488 -8.145 10.237 1.00 2.12 C ATOM 693 CD2 LEU A 45 -2.323 -9.297 9.015 1.00 11.24 C ATOM 0 H LEU A 45 0.444 -8.609 6.121 1.00 25.53 H new ATOM 0 HA LEU A 45 -2.422 -8.309 6.570 1.00 51.51 H new ATOM 0 HB2 LEU A 45 -0.013 -7.027 7.855 1.00 70.45 H new ATOM 0 HB3 LEU A 45 -1.678 -6.714 8.304 1.00 70.45 H new ATOM 0 HG LEU A 45 -0.252 -9.376 8.521 1.00 33.44 H new ATOM 0 HD11 LEU A 45 -0.456 -8.980 10.937 1.00 2.12 H new ATOM 0 HD12 LEU A 45 0.509 -7.715 10.140 1.00 2.12 H new ATOM 0 HD13 LEU A 45 -1.176 -7.386 10.609 1.00 2.12 H new ATOM 0 HD21 LEU A 45 -2.264 -10.122 9.725 1.00 11.24 H new ATOM 0 HD22 LEU A 45 -3.052 -8.567 9.367 1.00 11.24 H new ATOM 0 HD23 LEU A 45 -2.631 -9.677 8.041 1.00 11.24 H new ATOM 705 N LYS A 46 -2.705 -5.990 5.827 1.00 72.43 N ATOM 706 CA LYS A 46 -3.059 -4.832 5.089 1.00 22.53 C ATOM 707 C LYS A 46 -3.026 -3.612 5.964 1.00 22.20 C ATOM 708 O LYS A 46 -3.700 -3.525 6.991 1.00 22.43 O ATOM 709 CB LYS A 46 -4.394 -5.055 4.428 1.00 22.24 C ATOM 710 CG LYS A 46 -5.458 -5.531 5.373 1.00 34.33 C ATOM 711 CD LYS A 46 -6.654 -6.040 4.624 1.00 71.21 C ATOM 712 CE LYS A 46 -7.306 -4.940 3.792 1.00 21.15 C ATOM 713 NZ LYS A 46 -8.452 -5.438 3.013 1.00 31.50 N ATOM 0 H LYS A 46 -3.426 -6.297 6.480 1.00 72.43 H new ATOM 0 HA LYS A 46 -2.329 -4.651 4.300 1.00 22.53 H new ATOM 0 HB2 LYS A 46 -4.721 -4.124 3.964 1.00 22.24 H new ATOM 0 HB3 LYS A 46 -4.277 -5.786 3.628 1.00 22.24 H new ATOM 0 HG2 LYS A 46 -5.058 -6.322 6.008 1.00 34.33 H new ATOM 0 HG3 LYS A 46 -5.757 -4.715 6.031 1.00 34.33 H new ATOM 0 HD2 LYS A 46 -6.354 -6.860 3.972 1.00 71.21 H new ATOM 0 HD3 LYS A 46 -7.381 -6.443 5.329 1.00 71.21 H new ATOM 0 HE2 LYS A 46 -7.638 -4.137 4.450 1.00 21.15 H new ATOM 0 HE3 LYS A 46 -6.567 -4.512 3.115 1.00 21.15 H new ATOM 0 HZ1 LYS A 46 -9.060 -4.639 2.741 1.00 31.50 H new ATOM 0 HZ2 LYS A 46 -8.108 -5.918 2.157 1.00 31.50 H new ATOM 0 HZ3 LYS A 46 -8.999 -6.109 3.590 1.00 31.50 H new ATOM 727 N VAL A 47 -2.224 -2.713 5.562 1.00 61.54 N ATOM 728 CA VAL A 47 -1.963 -1.492 6.283 1.00 42.35 C ATOM 729 C VAL A 47 -2.431 -0.303 5.440 1.00 11.53 C ATOM 730 O VAL A 47 -2.432 -0.381 4.233 1.00 3.11 O ATOM 731 CB VAL A 47 -0.443 -1.349 6.632 1.00 52.40 C ATOM 732 CG1 VAL A 47 -0.168 -0.108 7.482 1.00 0.40 C ATOM 733 CG2 VAL A 47 0.076 -2.602 7.334 1.00 22.23 C ATOM 0 H VAL A 47 -1.700 -2.789 4.690 1.00 61.54 H new ATOM 0 HA VAL A 47 -2.513 -1.516 7.224 1.00 42.35 H new ATOM 0 HB VAL A 47 0.093 -1.230 5.690 1.00 52.40 H new ATOM 0 HG11 VAL A 47 0.898 -0.046 7.702 1.00 0.40 H new ATOM 0 HG12 VAL A 47 -0.478 0.783 6.936 1.00 0.40 H new ATOM 0 HG13 VAL A 47 -0.728 -0.175 8.415 1.00 0.40 H new ATOM 0 HG21 VAL A 47 1.134 -2.478 7.566 1.00 22.23 H new ATOM 0 HG22 VAL A 47 -0.482 -2.759 8.257 1.00 22.23 H new ATOM 0 HG23 VAL A 47 -0.053 -3.465 6.681 1.00 22.23 H new ATOM 743 N CYS A 48 -2.819 0.779 6.058 1.00 4.14 N ATOM 744 CA CYS A 48 -3.299 1.914 5.306 1.00 71.35 C ATOM 745 C CYS A 48 -2.406 3.096 5.589 1.00 34.03 C ATOM 746 O CYS A 48 -2.164 3.458 6.747 1.00 63.20 O ATOM 747 CB CYS A 48 -4.705 2.262 5.742 1.00 50.45 C ATOM 748 SG CYS A 48 -5.907 0.921 5.603 1.00 4.14 S ATOM 0 H CYS A 48 -2.814 0.902 7.071 1.00 4.14 H new ATOM 0 HA CYS A 48 -3.294 1.671 4.243 1.00 71.35 H new ATOM 0 HB2 CYS A 48 -4.675 2.595 6.779 1.00 50.45 H new ATOM 0 HB3 CYS A 48 -5.055 3.105 5.146 1.00 50.45 H new ATOM 753 N ALA A 49 -1.918 3.693 4.540 1.00 42.41 N ATOM 754 CA ALA A 49 -0.981 4.765 4.635 1.00 50.14 C ATOM 755 C ALA A 49 -1.505 6.006 3.960 1.00 14.54 C ATOM 756 O ALA A 49 -2.291 5.932 2.999 1.00 64.42 O ATOM 757 CB ALA A 49 0.333 4.336 4.038 1.00 23.24 C ATOM 0 H ALA A 49 -2.166 3.442 3.583 1.00 42.41 H new ATOM 0 HA ALA A 49 -0.829 5.010 5.686 1.00 50.14 H new ATOM 0 HB1 ALA A 49 1.050 5.154 4.110 1.00 23.24 H new ATOM 0 HB2 ALA A 49 0.714 3.471 4.581 1.00 23.24 H new ATOM 0 HB3 ALA A 49 0.188 4.072 2.990 1.00 23.24 H new ATOM 763 N ASP A 50 -1.078 7.134 4.469 1.00 15.22 N ATOM 764 CA ASP A 50 -1.513 8.436 3.997 1.00 54.03 C ATOM 765 C ASP A 50 -0.824 8.791 2.675 1.00 44.33 C ATOM 766 O ASP A 50 0.394 8.847 2.611 1.00 61.21 O ATOM 767 CB ASP A 50 -1.179 9.478 5.065 1.00 70.41 C ATOM 768 CG ASP A 50 -1.633 10.865 4.712 1.00 74.51 C ATOM 769 OD1 ASP A 50 -2.782 11.217 5.028 1.00 4.03 O ATOM 770 OD2 ASP A 50 -0.850 11.625 4.161 1.00 21.42 O ATOM 0 H ASP A 50 -0.407 7.180 5.236 1.00 15.22 H new ATOM 0 HA ASP A 50 -2.588 8.418 3.818 1.00 54.03 H new ATOM 0 HB2 ASP A 50 -1.641 9.182 6.007 1.00 70.41 H new ATOM 0 HB3 ASP A 50 -0.101 9.487 5.227 1.00 70.41 H new ATOM 775 N PRO A 51 -1.602 9.055 1.605 1.00 73.11 N ATOM 776 CA PRO A 51 -1.054 9.363 0.257 1.00 22.33 C ATOM 777 C PRO A 51 -0.315 10.707 0.199 1.00 42.03 C ATOM 778 O PRO A 51 0.340 11.028 -0.794 1.00 24.32 O ATOM 779 CB PRO A 51 -2.307 9.431 -0.624 1.00 3.11 C ATOM 780 CG PRO A 51 -3.416 9.761 0.314 1.00 45.13 C ATOM 781 CD PRO A 51 -3.081 9.073 1.607 1.00 64.42 C ATOM 0 HA PRO A 51 -0.319 8.619 -0.050 1.00 22.33 H new ATOM 0 HB2 PRO A 51 -2.205 10.191 -1.398 1.00 3.11 H new ATOM 0 HB3 PRO A 51 -2.486 8.482 -1.130 1.00 3.11 H new ATOM 0 HG2 PRO A 51 -3.500 10.839 0.455 1.00 45.13 H new ATOM 0 HG3 PRO A 51 -4.373 9.415 -0.076 1.00 45.13 H new ATOM 0 HD2 PRO A 51 -3.476 9.615 2.466 1.00 64.42 H new ATOM 0 HD3 PRO A 51 -3.496 8.066 1.647 1.00 64.42 H new ATOM 789 N GLN A 52 -0.419 11.487 1.254 1.00 53.23 N ATOM 790 CA GLN A 52 0.214 12.777 1.301 1.00 34.11 C ATOM 791 C GLN A 52 1.593 12.650 1.929 1.00 3.54 C ATOM 792 O GLN A 52 2.397 13.576 1.892 1.00 1.32 O ATOM 793 CB GLN A 52 -0.667 13.772 2.053 1.00 10.15 C ATOM 794 CG GLN A 52 -2.041 13.923 1.424 1.00 34.32 C ATOM 795 CD GLN A 52 -2.963 14.832 2.197 1.00 12.53 C ATOM 796 OE1 GLN A 52 -3.700 14.382 3.075 1.00 72.14 O ATOM 797 NE2 GLN A 52 -2.943 16.092 1.891 1.00 63.52 N ATOM 0 H GLN A 52 -0.942 11.242 2.095 1.00 53.23 H new ATOM 0 HA GLN A 52 0.342 13.159 0.288 1.00 34.11 H new ATOM 0 HB2 GLN A 52 -0.778 13.445 3.087 1.00 10.15 H new ATOM 0 HB3 GLN A 52 -0.173 14.743 2.077 1.00 10.15 H new ATOM 0 HG2 GLN A 52 -1.927 14.311 0.412 1.00 34.32 H new ATOM 0 HG3 GLN A 52 -2.502 12.939 1.339 1.00 34.32 H new ATOM 0 HE21 GLN A 52 -2.319 16.429 1.158 1.00 63.52 H new ATOM 0 HE22 GLN A 52 -3.551 16.746 2.384 1.00 63.52 H new ATOM 806 N ALA A 53 1.861 11.485 2.493 1.00 1.30 N ATOM 807 CA ALA A 53 3.153 11.184 3.039 1.00 12.33 C ATOM 808 C ALA A 53 4.122 10.958 1.901 1.00 13.42 C ATOM 809 O ALA A 53 3.866 10.152 0.996 1.00 33.24 O ATOM 810 CB ALA A 53 3.077 9.975 3.951 1.00 71.31 C ATOM 0 H ALA A 53 1.183 10.728 2.580 1.00 1.30 H new ATOM 0 HA ALA A 53 3.505 12.021 3.643 1.00 12.33 H new ATOM 0 HB1 ALA A 53 4.066 9.762 4.356 1.00 71.31 H new ATOM 0 HB2 ALA A 53 2.386 10.179 4.769 1.00 71.31 H new ATOM 0 HB3 ALA A 53 2.723 9.114 3.384 1.00 71.31 H new ATOM 816 N THR A 54 5.223 11.667 1.947 1.00 34.53 N ATOM 817 CA THR A 54 6.219 11.648 0.907 1.00 21.41 C ATOM 818 C THR A 54 6.775 10.239 0.686 1.00 13.41 C ATOM 819 O THR A 54 7.044 9.843 -0.453 1.00 3.33 O ATOM 820 CB THR A 54 7.359 12.606 1.279 1.00 74.13 C ATOM 821 OG1 THR A 54 6.800 13.889 1.594 1.00 73.44 O ATOM 822 CG2 THR A 54 8.340 12.757 0.129 1.00 25.04 C ATOM 0 H THR A 54 5.455 12.285 2.724 1.00 34.53 H new ATOM 0 HA THR A 54 5.749 11.969 -0.023 1.00 21.41 H new ATOM 0 HB THR A 54 7.894 12.199 2.137 1.00 74.13 H new ATOM 0 HG1 THR A 54 7.520 14.509 1.835 1.00 73.44 H new ATOM 0 HG21 THR A 54 9.138 13.441 0.419 1.00 25.04 H new ATOM 0 HG22 THR A 54 8.767 11.784 -0.115 1.00 25.04 H new ATOM 0 HG23 THR A 54 7.820 13.154 -0.743 1.00 25.04 H new ATOM 830 N TRP A 55 6.889 9.465 1.761 1.00 40.52 N ATOM 831 CA TRP A 55 7.448 8.122 1.640 1.00 65.43 C ATOM 832 C TRP A 55 6.463 7.219 0.913 1.00 1.32 C ATOM 833 O TRP A 55 6.856 6.329 0.160 1.00 14.13 O ATOM 834 CB TRP A 55 7.816 7.529 3.005 1.00 34.22 C ATOM 835 CG TRP A 55 6.654 7.164 3.866 1.00 35.44 C ATOM 836 CD1 TRP A 55 5.927 7.992 4.632 1.00 13.03 C ATOM 837 CD2 TRP A 55 6.099 5.858 4.039 1.00 14.13 C ATOM 838 NE1 TRP A 55 4.952 7.295 5.288 1.00 24.03 N ATOM 839 CE2 TRP A 55 5.037 5.982 4.935 1.00 1.01 C ATOM 840 CE3 TRP A 55 6.401 4.599 3.518 1.00 65.14 C ATOM 841 CZ2 TRP A 55 4.269 4.902 5.332 1.00 70.02 C ATOM 842 CZ3 TRP A 55 5.637 3.520 3.911 1.00 45.13 C ATOM 843 CH2 TRP A 55 4.580 3.679 4.810 1.00 62.40 C ATOM 0 H TRP A 55 6.610 9.735 2.704 1.00 40.52 H new ATOM 0 HA TRP A 55 8.370 8.192 1.062 1.00 65.43 H new ATOM 0 HB2 TRP A 55 8.425 6.639 2.846 1.00 34.22 H new ATOM 0 HB3 TRP A 55 8.436 8.247 3.542 1.00 34.22 H new ATOM 0 HD1 TRP A 55 6.089 9.056 4.718 1.00 13.03 H new ATOM 0 HE1 TRP A 55 4.272 7.693 5.936 1.00 24.03 H new ATOM 0 HE3 TRP A 55 7.216 4.472 2.821 1.00 65.14 H new ATOM 0 HZ2 TRP A 55 3.453 5.022 6.029 1.00 70.02 H new ATOM 0 HZ3 TRP A 55 5.859 2.539 3.518 1.00 45.13 H new ATOM 0 HH2 TRP A 55 3.997 2.817 5.098 1.00 62.40 H new ATOM 854 N VAL A 56 5.173 7.471 1.137 1.00 33.21 N ATOM 855 CA VAL A 56 4.130 6.738 0.468 1.00 30.21 C ATOM 856 C VAL A 56 4.185 7.045 -0.976 1.00 10.30 C ATOM 857 O VAL A 56 4.207 6.154 -1.781 1.00 74.04 O ATOM 858 CB VAL A 56 2.716 7.049 1.029 1.00 13.24 C ATOM 859 CG1 VAL A 56 1.629 6.391 0.188 1.00 62.03 C ATOM 860 CG2 VAL A 56 2.616 6.584 2.459 1.00 41.20 C ATOM 0 H VAL A 56 4.837 8.185 1.784 1.00 33.21 H new ATOM 0 HA VAL A 56 4.302 5.676 0.643 1.00 30.21 H new ATOM 0 HB VAL A 56 2.566 8.128 0.988 1.00 13.24 H new ATOM 0 HG11 VAL A 56 0.651 6.628 0.607 1.00 62.03 H new ATOM 0 HG12 VAL A 56 1.685 6.763 -0.835 1.00 62.03 H new ATOM 0 HG13 VAL A 56 1.772 5.310 0.189 1.00 62.03 H new ATOM 0 HG21 VAL A 56 1.621 6.806 2.845 1.00 41.20 H new ATOM 0 HG22 VAL A 56 2.792 5.509 2.505 1.00 41.20 H new ATOM 0 HG23 VAL A 56 3.363 7.100 3.062 1.00 41.20 H new ATOM 870 N ARG A 57 4.261 8.320 -1.291 1.00 54.51 N ATOM 871 CA ARG A 57 4.353 8.763 -2.669 1.00 1.54 C ATOM 872 C ARG A 57 5.549 8.138 -3.359 1.00 52.22 C ATOM 873 O ARG A 57 5.472 7.745 -4.509 1.00 24.13 O ATOM 874 CB ARG A 57 4.413 10.274 -2.743 1.00 62.34 C ATOM 875 CG ARG A 57 3.175 10.932 -2.209 1.00 25.33 C ATOM 876 CD ARG A 57 3.243 12.437 -2.318 1.00 32.23 C ATOM 877 NE ARG A 57 2.011 13.068 -1.853 1.00 14.50 N ATOM 878 CZ ARG A 57 1.818 14.389 -1.767 1.00 14.30 C ATOM 879 NH1 ARG A 57 2.790 15.230 -2.096 1.00 12.45 N ATOM 880 NH2 ARG A 57 0.649 14.862 -1.372 1.00 71.40 N ATOM 0 H ARG A 57 4.261 9.076 -0.606 1.00 54.51 H new ATOM 0 HA ARG A 57 3.455 8.434 -3.192 1.00 1.54 H new ATOM 0 HB2 ARG A 57 5.278 10.627 -2.181 1.00 62.34 H new ATOM 0 HB3 ARG A 57 4.562 10.577 -3.779 1.00 62.34 H new ATOM 0 HG2 ARG A 57 2.306 10.568 -2.756 1.00 25.33 H new ATOM 0 HG3 ARG A 57 3.036 10.650 -1.165 1.00 25.33 H new ATOM 0 HD2 ARG A 57 4.085 12.807 -1.732 1.00 32.23 H new ATOM 0 HD3 ARG A 57 3.428 12.719 -3.355 1.00 32.23 H new ATOM 0 HE ARG A 57 1.243 12.458 -1.574 1.00 14.50 H new ATOM 0 HH11 ARG A 57 3.689 14.870 -2.416 1.00 12.45 H new ATOM 0 HH12 ARG A 57 2.638 16.236 -2.029 1.00 12.45 H new ATOM 0 HH21 ARG A 57 -0.106 14.220 -1.133 1.00 71.40 H new ATOM 0 HH22 ARG A 57 0.502 15.869 -1.307 1.00 71.40 H new ATOM 894 N ASP A 58 6.636 8.016 -2.636 1.00 34.41 N ATOM 895 CA ASP A 58 7.830 7.385 -3.173 1.00 51.21 C ATOM 896 C ASP A 58 7.631 5.871 -3.368 1.00 13.33 C ATOM 897 O ASP A 58 7.933 5.350 -4.418 1.00 33.31 O ATOM 898 CB ASP A 58 9.061 7.673 -2.292 1.00 53.31 C ATOM 899 CG ASP A 58 10.339 6.997 -2.791 1.00 63.15 C ATOM 900 OD1 ASP A 58 10.987 7.522 -3.740 1.00 60.31 O ATOM 901 OD2 ASP A 58 10.726 5.942 -2.236 1.00 43.40 O ATOM 0 H ASP A 58 6.724 8.343 -1.674 1.00 34.41 H new ATOM 0 HA ASP A 58 8.013 7.822 -4.155 1.00 51.21 H new ATOM 0 HB2 ASP A 58 9.222 8.750 -2.248 1.00 53.31 H new ATOM 0 HB3 ASP A 58 8.856 7.339 -1.275 1.00 53.31 H new ATOM 906 N CYS A 59 7.064 5.184 -2.381 1.00 71.41 N ATOM 907 CA CYS A 59 6.889 3.723 -2.483 1.00 30.31 C ATOM 908 C CYS A 59 5.732 3.307 -3.355 1.00 62.43 C ATOM 909 O CYS A 59 5.827 2.321 -4.094 1.00 33.05 O ATOM 910 CB CYS A 59 6.736 3.081 -1.141 1.00 72.05 C ATOM 911 SG CYS A 59 8.202 3.190 -0.094 1.00 22.43 S ATOM 0 H CYS A 59 6.721 5.597 -1.514 1.00 71.41 H new ATOM 0 HA CYS A 59 7.807 3.375 -2.957 1.00 30.31 H new ATOM 0 HB2 CYS A 59 5.898 3.546 -0.622 1.00 72.05 H new ATOM 0 HB3 CYS A 59 6.481 2.031 -1.281 1.00 72.05 H new ATOM 916 N VAL A 60 4.651 4.055 -3.290 1.00 43.41 N ATOM 917 CA VAL A 60 3.453 3.767 -4.049 1.00 53.02 C ATOM 918 C VAL A 60 3.796 3.880 -5.543 1.00 65.41 C ATOM 919 O VAL A 60 3.164 3.300 -6.399 1.00 4.12 O ATOM 920 CB VAL A 60 2.259 4.720 -3.651 1.00 22.42 C ATOM 921 CG1 VAL A 60 2.377 6.087 -4.276 1.00 20.15 C ATOM 922 CG2 VAL A 60 0.937 4.117 -3.989 1.00 33.31 C ATOM 0 H VAL A 60 4.579 4.887 -2.704 1.00 43.41 H new ATOM 0 HA VAL A 60 3.113 2.756 -3.824 1.00 53.02 H new ATOM 0 HB VAL A 60 2.321 4.843 -2.570 1.00 22.42 H new ATOM 0 HG11 VAL A 60 1.531 6.702 -3.969 1.00 20.15 H new ATOM 0 HG12 VAL A 60 3.304 6.558 -3.949 1.00 20.15 H new ATOM 0 HG13 VAL A 60 2.382 5.991 -5.362 1.00 20.15 H new ATOM 0 HG21 VAL A 60 0.140 4.802 -3.700 1.00 33.31 H new ATOM 0 HG22 VAL A 60 0.885 3.932 -5.062 1.00 33.31 H new ATOM 0 HG23 VAL A 60 0.818 3.176 -3.452 1.00 33.31 H new ATOM 932 N ARG A 61 4.813 4.657 -5.828 1.00 41.13 N ATOM 933 CA ARG A 61 5.279 4.809 -7.187 1.00 12.01 C ATOM 934 C ARG A 61 6.443 3.862 -7.461 1.00 50.11 C ATOM 935 O ARG A 61 6.541 3.314 -8.538 1.00 21.04 O ATOM 936 CB ARG A 61 5.664 6.252 -7.489 1.00 64.22 C ATOM 937 CG ARG A 61 4.519 7.277 -7.389 1.00 12.44 C ATOM 938 CD ARG A 61 3.419 7.100 -8.452 1.00 24.22 C ATOM 939 NE ARG A 61 2.608 5.860 -8.335 1.00 51.02 N ATOM 940 CZ ARG A 61 1.475 5.637 -9.039 1.00 74.34 C ATOM 941 NH1 ARG A 61 1.025 6.566 -9.886 1.00 12.33 N ATOM 942 NH2 ARG A 61 0.800 4.499 -8.900 1.00 22.43 N ATOM 0 H ARG A 61 5.335 5.195 -5.136 1.00 41.13 H new ATOM 0 HA ARG A 61 4.458 4.547 -7.854 1.00 12.01 H new ATOM 0 HB2 ARG A 61 6.456 6.550 -6.802 1.00 64.22 H new ATOM 0 HB3 ARG A 61 6.081 6.296 -8.495 1.00 64.22 H new ATOM 0 HG2 ARG A 61 4.067 7.205 -6.400 1.00 12.44 H new ATOM 0 HG3 ARG A 61 4.936 8.280 -7.477 1.00 12.44 H new ATOM 0 HD2 ARG A 61 2.748 7.958 -8.402 1.00 24.22 H new ATOM 0 HD3 ARG A 61 3.885 7.117 -9.437 1.00 24.22 H new ATOM 0 HE ARG A 61 2.923 5.137 -7.688 1.00 51.02 H new ATOM 0 HH11 ARG A 61 1.536 7.442 -10.001 1.00 12.33 H new ATOM 0 HH12 ARG A 61 0.171 6.400 -10.418 1.00 12.33 H new ATOM 0 HH21 ARG A 61 1.136 3.782 -8.257 1.00 22.43 H new ATOM 0 HH22 ARG A 61 -0.053 4.343 -9.437 1.00 22.43 H new ATOM 956 N SER A 62 7.305 3.667 -6.466 1.00 23.03 N ATOM 957 CA SER A 62 8.455 2.763 -6.575 1.00 62.44 C ATOM 958 C SER A 62 7.988 1.351 -6.943 1.00 11.10 C ATOM 959 O SER A 62 8.496 0.734 -7.881 1.00 43.22 O ATOM 960 CB SER A 62 9.240 2.732 -5.231 1.00 12.24 C ATOM 961 OG SER A 62 10.434 1.984 -5.328 1.00 65.34 O ATOM 0 H SER A 62 7.229 4.130 -5.560 1.00 23.03 H new ATOM 0 HA SER A 62 9.114 3.130 -7.362 1.00 62.44 H new ATOM 0 HB2 SER A 62 9.476 3.752 -4.926 1.00 12.24 H new ATOM 0 HB3 SER A 62 8.608 2.305 -4.453 1.00 12.24 H new ATOM 0 HG SER A 62 10.896 1.992 -4.464 1.00 65.34 H new ATOM 967 N MET A 63 6.980 0.870 -6.232 1.00 34.03 N ATOM 968 CA MET A 63 6.463 -0.467 -6.456 1.00 12.11 C ATOM 969 C MET A 63 5.750 -0.561 -7.782 1.00 21.41 C ATOM 970 O MET A 63 5.738 -1.599 -8.416 1.00 34.32 O ATOM 971 CB MET A 63 5.567 -0.926 -5.305 1.00 72.20 C ATOM 972 CG MET A 63 6.290 -0.939 -3.974 1.00 4.11 C ATOM 973 SD MET A 63 7.803 -1.914 -4.037 1.00 64.41 S ATOM 974 CE MET A 63 8.473 -1.619 -2.414 1.00 71.34 C ATOM 0 H MET A 63 6.504 1.389 -5.494 1.00 34.03 H new ATOM 0 HA MET A 63 7.315 -1.146 -6.490 1.00 12.11 H new ATOM 0 HB2 MET A 63 4.702 -0.267 -5.238 1.00 72.20 H new ATOM 0 HB3 MET A 63 5.190 -1.926 -5.519 1.00 72.20 H new ATOM 0 HG2 MET A 63 6.530 0.083 -3.682 1.00 4.11 H new ATOM 0 HG3 MET A 63 5.630 -1.344 -3.207 1.00 4.11 H new ATOM 0 HE1 MET A 63 9.535 -1.389 -2.495 1.00 71.34 H new ATOM 0 HE2 MET A 63 7.954 -0.778 -1.953 1.00 71.34 H new ATOM 0 HE3 MET A 63 8.340 -2.509 -1.798 1.00 71.34 H new ATOM 984 N ASP A 64 5.174 0.529 -8.201 1.00 73.34 N ATOM 985 CA ASP A 64 4.492 0.593 -9.481 1.00 3.33 C ATOM 986 C ASP A 64 5.518 0.519 -10.618 1.00 72.41 C ATOM 987 O ASP A 64 5.398 -0.294 -11.546 1.00 75.34 O ATOM 988 CB ASP A 64 3.690 1.896 -9.567 1.00 4.30 C ATOM 989 CG ASP A 64 2.935 2.057 -10.868 1.00 24.03 C ATOM 990 OD1 ASP A 64 1.810 1.527 -10.988 1.00 34.53 O ATOM 991 OD2 ASP A 64 3.438 2.741 -11.775 1.00 71.32 O ATOM 0 H ASP A 64 5.158 1.402 -7.673 1.00 73.34 H new ATOM 0 HA ASP A 64 3.807 -0.250 -9.574 1.00 3.33 H new ATOM 0 HB2 ASP A 64 2.982 1.933 -8.739 1.00 4.30 H new ATOM 0 HB3 ASP A 64 4.369 2.740 -9.444 1.00 4.30 H new ATOM 996 N ARG A 65 6.557 1.330 -10.491 1.00 20.14 N ATOM 997 CA ARG A 65 7.619 1.451 -11.488 1.00 11.22 C ATOM 998 C ARG A 65 8.499 0.213 -11.602 1.00 45.54 C ATOM 999 O ARG A 65 8.995 -0.082 -12.685 1.00 14.20 O ATOM 1000 CB ARG A 65 8.486 2.676 -11.204 1.00 53.32 C ATOM 1001 CG ARG A 65 7.760 3.998 -11.367 1.00 23.03 C ATOM 1002 CD ARG A 65 8.621 5.165 -10.914 1.00 20.23 C ATOM 1003 NE ARG A 65 9.886 5.282 -11.652 1.00 33.41 N ATOM 1004 CZ ARG A 65 10.783 6.258 -11.453 1.00 52.13 C ATOM 1005 NH1 ARG A 65 10.543 7.208 -10.553 1.00 25.14 N ATOM 1006 NH2 ARG A 65 11.912 6.280 -12.153 1.00 52.41 N ATOM 0 H ARG A 65 6.692 1.934 -9.680 1.00 20.14 H new ATOM 0 HA ARG A 65 7.113 1.564 -12.447 1.00 11.22 H new ATOM 0 HB2 ARG A 65 8.871 2.608 -10.186 1.00 53.32 H new ATOM 0 HB3 ARG A 65 9.347 2.662 -11.872 1.00 53.32 H new ATOM 0 HG2 ARG A 65 7.481 4.135 -12.412 1.00 23.03 H new ATOM 0 HG3 ARG A 65 6.836 3.980 -10.789 1.00 23.03 H new ATOM 0 HD2 ARG A 65 8.055 6.090 -11.029 1.00 20.23 H new ATOM 0 HD3 ARG A 65 8.838 5.055 -9.852 1.00 20.23 H new ATOM 0 HE ARG A 65 10.094 4.577 -12.359 1.00 33.41 H new ATOM 0 HH11 ARG A 65 9.677 7.193 -10.015 1.00 25.14 H new ATOM 0 HH12 ARG A 65 11.225 7.951 -10.401 1.00 25.14 H new ATOM 0 HH21 ARG A 65 12.098 5.553 -12.844 1.00 52.41 H new ATOM 0 HH22 ARG A 65 12.593 7.024 -12.000 1.00 52.41 H new ATOM 1020 N LYS A 66 8.695 -0.523 -10.501 1.00 0.42 N ATOM 1021 CA LYS A 66 9.571 -1.707 -10.535 1.00 32.00 C ATOM 1022 C LYS A 66 9.040 -2.788 -11.480 1.00 63.14 C ATOM 1023 O LYS A 66 9.796 -3.641 -11.946 1.00 41.14 O ATOM 1024 CB LYS A 66 9.836 -2.304 -9.146 1.00 41.11 C ATOM 1025 CG LYS A 66 8.637 -2.923 -8.474 1.00 2.34 C ATOM 1026 CD LYS A 66 9.021 -3.517 -7.136 1.00 50.14 C ATOM 1027 CE LYS A 66 7.829 -4.137 -6.441 1.00 74.32 C ATOM 1028 NZ LYS A 66 7.264 -5.289 -7.173 1.00 72.33 N ATOM 0 H LYS A 66 8.271 -0.329 -9.594 1.00 0.42 H new ATOM 0 HA LYS A 66 10.524 -1.346 -10.920 1.00 32.00 H new ATOM 0 HB2 LYS A 66 10.614 -3.062 -9.236 1.00 41.11 H new ATOM 0 HB3 LYS A 66 10.230 -1.519 -8.500 1.00 41.11 H new ATOM 0 HG2 LYS A 66 7.863 -2.169 -8.334 1.00 2.34 H new ATOM 0 HG3 LYS A 66 8.215 -3.698 -9.114 1.00 2.34 H new ATOM 0 HD2 LYS A 66 9.793 -4.273 -7.281 1.00 50.14 H new ATOM 0 HD3 LYS A 66 9.450 -2.741 -6.502 1.00 50.14 H new ATOM 0 HE2 LYS A 66 8.125 -4.459 -5.443 1.00 74.32 H new ATOM 0 HE3 LYS A 66 7.055 -3.380 -6.315 1.00 74.32 H new ATOM 0 HZ1 LYS A 66 6.566 -5.773 -6.573 1.00 72.33 H new ATOM 0 HZ2 LYS A 66 6.801 -4.955 -8.042 1.00 72.33 H new ATOM 0 HZ3 LYS A 66 8.027 -5.952 -7.420 1.00 72.33 H new ATOM 1042 N SER A 67 7.750 -2.744 -11.766 1.00 33.21 N ATOM 1043 CA SER A 67 7.148 -3.707 -12.655 1.00 31.52 C ATOM 1044 C SER A 67 7.318 -3.255 -14.111 1.00 33.02 C ATOM 1045 O SER A 67 7.131 -4.035 -15.042 1.00 74.14 O ATOM 1046 CB SER A 67 5.664 -3.899 -12.303 1.00 20.41 C ATOM 1047 OG SER A 67 5.053 -4.894 -13.110 1.00 34.30 O ATOM 0 H SER A 67 7.104 -2.049 -11.392 1.00 33.21 H new ATOM 0 HA SER A 67 7.649 -4.667 -12.536 1.00 31.52 H new ATOM 0 HB2 SER A 67 5.573 -4.177 -11.253 1.00 20.41 H new ATOM 0 HB3 SER A 67 5.136 -2.954 -12.430 1.00 20.41 H new ATOM 0 HG SER A 67 5.469 -4.896 -13.997 1.00 34.30 H new ATOM 1053 N ASN A 68 7.698 -2.004 -14.295 1.00 31.21 N ATOM 1054 CA ASN A 68 7.892 -1.452 -15.617 1.00 23.33 C ATOM 1055 C ASN A 68 9.302 -1.757 -16.066 1.00 75.40 C ATOM 1056 O ASN A 68 10.256 -1.160 -15.566 1.00 23.44 O ATOM 1057 CB ASN A 68 7.683 0.079 -15.632 1.00 71.25 C ATOM 1058 CG ASN A 68 6.313 0.553 -15.151 1.00 51.35 C ATOM 1059 OD1 ASN A 68 6.195 1.642 -14.593 1.00 50.54 O ATOM 1060 ND2 ASN A 68 5.280 -0.223 -15.370 1.00 40.03 N ATOM 0 H ASN A 68 7.879 -1.348 -13.535 1.00 31.21 H new ATOM 0 HA ASN A 68 7.159 -1.901 -16.288 1.00 23.33 H new ATOM 0 HB2 ASN A 68 8.449 0.540 -15.008 1.00 71.25 H new ATOM 0 HB3 ASN A 68 7.839 0.441 -16.648 1.00 71.25 H new ATOM 0 HD21 ASN A 68 4.349 0.072 -15.075 1.00 40.03 H new ATOM 0 HD22 ASN A 68 5.407 -1.122 -15.835 1.00 40.03 H new ATOM 1067 N THR A 69 9.443 -2.693 -16.959 1.00 63.32 N ATOM 1068 CA THR A 69 10.727 -3.042 -17.475 1.00 40.14 C ATOM 1069 C THR A 69 10.559 -3.563 -18.898 1.00 24.43 C ATOM 1070 O THR A 69 9.460 -3.469 -19.464 1.00 65.02 O ATOM 1071 CB THR A 69 11.461 -4.062 -16.562 1.00 43.43 C ATOM 1072 OG1 THR A 69 12.828 -4.255 -16.998 1.00 3.02 O ATOM 1073 CG2 THR A 69 10.748 -5.373 -16.549 1.00 14.43 C ATOM 0 H THR A 69 8.670 -3.233 -17.347 1.00 63.32 H new ATOM 0 HA THR A 69 11.360 -2.155 -17.494 1.00 40.14 H new ATOM 0 HB THR A 69 11.468 -3.654 -15.551 1.00 43.43 H new ATOM 0 HG1 THR A 69 13.272 -4.900 -16.408 1.00 3.02 H new ATOM 0 HG21 THR A 69 11.281 -6.071 -15.903 1.00 14.43 H new ATOM 0 HG22 THR A 69 9.735 -5.232 -16.173 1.00 14.43 H new ATOM 0 HG23 THR A 69 10.707 -5.775 -17.561 1.00 14.43 H new ATOM 1081 N ARG A 70 11.602 -4.096 -19.477 1.00 11.32 N ATOM 1082 CA ARG A 70 11.550 -4.516 -20.850 1.00 14.14 C ATOM 1083 C ARG A 70 10.957 -5.912 -20.977 1.00 13.01 C ATOM 1084 O ARG A 70 11.667 -6.922 -20.881 1.00 51.33 O ATOM 1085 CB ARG A 70 12.925 -4.409 -21.518 1.00 24.24 C ATOM 1086 CG ARG A 70 13.579 -3.042 -21.321 1.00 24.54 C ATOM 1087 CD ARG A 70 12.680 -1.901 -21.787 1.00 22.43 C ATOM 1088 NE ARG A 70 13.250 -0.594 -21.462 1.00 24.11 N ATOM 1089 CZ ARG A 70 12.601 0.568 -21.564 1.00 74.11 C ATOM 1090 NH1 ARG A 70 11.345 0.596 -21.985 1.00 55.43 N ATOM 1091 NH2 ARG A 70 13.204 1.698 -21.231 1.00 15.12 N ATOM 0 H ARG A 70 12.499 -4.249 -19.017 1.00 11.32 H new ATOM 0 HA ARG A 70 10.885 -3.837 -21.384 1.00 14.14 H new ATOM 0 HB2 ARG A 70 13.580 -5.181 -21.114 1.00 24.24 H new ATOM 0 HB3 ARG A 70 12.821 -4.606 -22.585 1.00 24.24 H new ATOM 0 HG2 ARG A 70 13.820 -2.905 -20.267 1.00 24.54 H new ATOM 0 HG3 ARG A 70 14.520 -3.009 -21.870 1.00 24.54 H new ATOM 0 HD2 ARG A 70 12.529 -1.974 -22.864 1.00 22.43 H new ATOM 0 HD3 ARG A 70 11.700 -1.996 -21.320 1.00 22.43 H new ATOM 0 HE ARG A 70 14.215 -0.568 -21.133 1.00 24.11 H new ATOM 0 HH11 ARG A 70 10.871 -0.272 -22.232 1.00 55.43 H new ATOM 0 HH12 ARG A 70 10.853 1.486 -22.062 1.00 55.43 H new ATOM 0 HH21 ARG A 70 14.167 1.682 -20.895 1.00 15.12 H new ATOM 0 HH22 ARG A 70 12.706 2.584 -21.310 1.00 15.12 H new ATOM 1105 N ASN A 71 9.644 -5.931 -21.117 1.00 14.42 N ATOM 1106 CA ASN A 71 8.825 -7.136 -21.290 1.00 72.44 C ATOM 1107 C ASN A 71 8.966 -8.144 -20.143 1.00 15.40 C ATOM 1108 O ASN A 71 9.734 -9.117 -20.234 1.00 73.13 O ATOM 1109 CB ASN A 71 8.997 -7.781 -22.683 1.00 50.22 C ATOM 1110 CG ASN A 71 8.054 -8.956 -22.920 1.00 22.42 C ATOM 1111 OD1 ASN A 71 8.401 -10.118 -22.678 1.00 1.53 O ATOM 1112 ND2 ASN A 71 6.855 -8.666 -23.365 1.00 22.02 N ATOM 0 H ASN A 71 9.088 -5.076 -21.114 1.00 14.42 H new ATOM 0 HA ASN A 71 7.792 -6.792 -21.241 1.00 72.44 H new ATOM 0 HB2 ASN A 71 8.826 -7.026 -23.450 1.00 50.22 H new ATOM 0 HB3 ASN A 71 10.027 -8.121 -22.794 1.00 50.22 H new ATOM 0 HD21 ASN A 71 6.175 -9.410 -23.522 1.00 22.02 H new ATOM 0 HD22 ASN A 71 6.602 -7.696 -23.554 1.00 22.02 H new ATOM 1119 N ASN A 72 8.270 -7.837 -19.041 1.00 13.45 N ATOM 1120 CA ASN A 72 8.177 -8.671 -17.823 1.00 21.23 C ATOM 1121 C ASN A 72 7.519 -7.870 -16.712 1.00 40.50 C ATOM 1122 O ASN A 72 8.160 -7.031 -16.082 1.00 30.13 O ATOM 1123 CB ASN A 72 9.552 -9.182 -17.327 1.00 61.52 C ATOM 1124 CG ASN A 72 9.451 -10.059 -16.078 1.00 73.51 C ATOM 1125 OD1 ASN A 72 9.261 -11.273 -16.172 1.00 21.40 O ATOM 1126 ND2 ASN A 72 9.608 -9.468 -14.912 1.00 0.43 N ATOM 0 H ASN A 72 7.735 -6.972 -18.964 1.00 13.45 H new ATOM 0 HA ASN A 72 7.582 -9.546 -18.085 1.00 21.23 H new ATOM 0 HB2 ASN A 72 10.031 -9.750 -18.125 1.00 61.52 H new ATOM 0 HB3 ASN A 72 10.195 -8.328 -17.113 1.00 61.52 H new ATOM 0 HD21 ASN A 72 9.574 -10.017 -14.053 1.00 0.43 H new ATOM 0 HD22 ASN A 72 9.764 -8.461 -14.868 1.00 0.43 H new ATOM 1133 N MET A 73 6.255 -8.088 -16.490 1.00 14.35 N ATOM 1134 CA MET A 73 5.564 -7.368 -15.439 1.00 54.03 C ATOM 1135 C MET A 73 5.352 -8.275 -14.242 1.00 54.51 C ATOM 1136 O MET A 73 5.265 -9.506 -14.386 1.00 1.41 O ATOM 1137 CB MET A 73 4.208 -6.816 -15.906 1.00 54.41 C ATOM 1138 CG MET A 73 3.190 -7.885 -16.262 1.00 2.30 C ATOM 1139 SD MET A 73 1.577 -7.204 -16.658 1.00 31.15 S ATOM 1140 CE MET A 73 0.665 -8.711 -16.967 1.00 32.23 C ATOM 0 H MET A 73 5.680 -8.749 -17.012 1.00 14.35 H new ATOM 0 HA MET A 73 6.192 -6.521 -15.163 1.00 54.03 H new ATOM 0 HB2 MET A 73 3.795 -6.185 -15.119 1.00 54.41 H new ATOM 0 HB3 MET A 73 4.368 -6.178 -16.776 1.00 54.41 H new ATOM 0 HG2 MET A 73 3.556 -8.460 -17.113 1.00 2.30 H new ATOM 0 HG3 MET A 73 3.092 -8.579 -15.427 1.00 2.30 H new ATOM 0 HE1 MET A 73 -0.365 -8.466 -17.228 1.00 32.23 H new ATOM 0 HE2 MET A 73 1.129 -9.255 -17.790 1.00 32.23 H new ATOM 0 HE3 MET A 73 0.674 -9.332 -16.071 1.00 32.23 H new ATOM 1150 N ILE A 74 5.264 -7.682 -13.083 1.00 44.40 N ATOM 1151 CA ILE A 74 5.030 -8.395 -11.851 1.00 34.11 C ATOM 1152 C ILE A 74 3.873 -7.728 -11.123 1.00 3.05 C ATOM 1153 O ILE A 74 3.943 -6.555 -10.766 1.00 61.44 O ATOM 1154 CB ILE A 74 6.305 -8.445 -10.947 1.00 2.30 C ATOM 1155 CG1 ILE A 74 7.443 -9.197 -11.678 1.00 74.41 C ATOM 1156 CG2 ILE A 74 5.992 -9.111 -9.604 1.00 71.53 C ATOM 1157 CD1 ILE A 74 8.741 -9.296 -10.901 1.00 42.32 C ATOM 0 H ILE A 74 5.354 -6.673 -12.963 1.00 44.40 H new ATOM 0 HA ILE A 74 4.781 -9.430 -12.084 1.00 34.11 H new ATOM 0 HB ILE A 74 6.632 -7.424 -10.748 1.00 2.30 H new ATOM 0 HG12 ILE A 74 7.100 -10.204 -11.915 1.00 74.41 H new ATOM 0 HG13 ILE A 74 7.640 -8.696 -12.626 1.00 74.41 H new ATOM 0 HG21 ILE A 74 6.893 -9.135 -8.991 1.00 71.53 H new ATOM 0 HG22 ILE A 74 5.217 -8.544 -9.088 1.00 71.53 H new ATOM 0 HG23 ILE A 74 5.642 -10.129 -9.775 1.00 71.53 H new ATOM 0 HD11 ILE A 74 9.479 -9.839 -11.492 1.00 42.32 H new ATOM 0 HD12 ILE A 74 9.114 -8.294 -10.686 1.00 42.32 H new ATOM 0 HD13 ILE A 74 8.565 -9.826 -9.965 1.00 42.32 H new ATOM 1169 N GLN A 75 2.810 -8.459 -10.943 1.00 60.13 N ATOM 1170 CA GLN A 75 1.613 -7.938 -10.338 1.00 2.21 C ATOM 1171 C GLN A 75 1.163 -8.786 -9.167 1.00 12.33 C ATOM 1172 O GLN A 75 0.744 -9.943 -9.379 1.00 36.52 O ATOM 1173 CB GLN A 75 0.503 -7.718 -11.384 1.00 3.11 C ATOM 1174 CG GLN A 75 0.219 -8.919 -12.284 1.00 4.14 C ATOM 1175 CD GLN A 75 -0.905 -8.671 -13.274 1.00 44.15 C ATOM 1176 OE1 GLN A 75 -1.607 -9.602 -13.675 1.00 65.55 O ATOM 1177 NE2 GLN A 75 -1.104 -7.431 -13.665 1.00 34.34 N ATOM 0 H GLN A 75 2.747 -9.441 -11.213 1.00 60.13 H new ATOM 0 HA GLN A 75 1.847 -6.956 -9.927 1.00 2.21 H new ATOM 0 HB2 GLN A 75 -0.416 -7.446 -10.865 1.00 3.11 H new ATOM 0 HB3 GLN A 75 0.778 -6.870 -12.011 1.00 3.11 H new ATOM 0 HG2 GLN A 75 1.126 -9.178 -12.831 1.00 4.14 H new ATOM 0 HG3 GLN A 75 -0.035 -9.778 -11.663 1.00 4.14 H new ATOM 0 HE21 GLN A 75 -0.505 -6.683 -13.314 1.00 34.34 H new ATOM 0 HE22 GLN A 75 -1.857 -7.217 -14.319 1.00 34.34 H new TER 1186 GLN A 75