USER MOD reduce.3.24.130724 H: found=0, std=0, add=882, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 880 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 89 THR OG1 : rot -112:sc= 0.0957 USER MOD Set 1.2: A 91 ASN : amide:sc= 0.0884 X(o=0.18,f=-0.014) USER MOD Set 2.1: A 11 CYS SG : rot 180:sc= -1.01 USER MOD Set 2.2: A 87 TYR OH : rot 24:sc=0.000102 USER MOD Single : A 1 GLY N :NH3+ -121:sc= 0.0675 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl -112:sc= -1.74 (180deg=-3.43!) USER MOD Single : A 6 ASN : amide:sc= -0.0321 X(o=-0.032,f=-0.37) USER MOD Single : A 15 MET CE :methyl -179:sc= 0 (180deg=-0.000152) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= -0.0779 X(o=-0.078,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -0.0643 K(o=-0.064,f=-1.5!) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=-0.0022) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.219 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot 160:sc= -0.0943 USER MOD Single : A 64 ASN : amide:sc= 0.218 X(o=0.22,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot -7:sc= -0.68 USER MOD Single : A 73 LYS NZ :NH3+ 165:sc= -0.0553 (180deg=-0.362) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.0755 USER MOD Single : A 90 MET CE :methyl -109:sc= -1.65 (180deg=-6.12!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= -0.241 X(o=-0.24,f=0) USER MOD Single : A 101 ASN : amide:sc= -0.173 K(o=-0.17,f=-2!) USER MOD Single : A 104 ASN : amide:sc=-0.000927 X(o=-0.00093,f=-0.12) USER MOD Single : A 105 ASN : amide:sc= -0.259 K(o=-0.26,f=-1.4!) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot -58:sc= 0.00334 USER MOD Single : A 108 SER OG : rot -60:sc=0.000436 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.290 -16.524 -8.999 1.00 33.14 N ATOM 2 CA GLY A 1 13.239 -16.855 -7.587 1.00 72.30 C ATOM 3 C GLY A 1 11.981 -17.613 -7.214 1.00 33.43 C ATOM 4 O GLY A 1 11.166 -17.963 -8.068 1.00 34.44 O ATOM 0 H1 GLY A 1 14.140 -16.946 -9.424 1.00 33.14 H new ATOM 0 H2 GLY A 1 12.444 -16.898 -9.474 1.00 33.14 H new ATOM 0 H3 GLY A 1 13.323 -15.491 -9.112 1.00 33.14 H new ATOM 0 HA2 GLY A 1 14.111 -17.454 -7.326 1.00 72.30 H new ATOM 0 HA3 GLY A 1 13.295 -15.938 -7.000 1.00 72.30 H new ATOM 8 N PRO A 2 11.811 -17.881 -5.911 1.00 13.41 N ATOM 9 CA PRO A 2 10.645 -18.607 -5.397 1.00 4.20 C ATOM 10 C PRO A 2 9.362 -17.789 -5.497 1.00 63.05 C ATOM 11 O PRO A 2 8.291 -18.327 -5.774 1.00 21.35 O ATOM 12 CB PRO A 2 11.004 -18.861 -3.930 1.00 52.44 C ATOM 13 CG PRO A 2 11.965 -17.776 -3.582 1.00 75.43 C ATOM 14 CD PRO A 2 12.742 -17.493 -4.838 1.00 23.13 C ATOM 0 HA PRO A 2 10.448 -19.516 -5.966 1.00 4.20 H new ATOM 0 HB2 PRO A 2 10.119 -18.825 -3.294 1.00 52.44 H new ATOM 0 HB3 PRO A 2 11.453 -19.845 -3.797 1.00 52.44 H new ATOM 0 HG2 PRO A 2 11.440 -16.885 -3.239 1.00 75.43 H new ATOM 0 HG3 PRO A 2 12.628 -18.086 -2.774 1.00 75.43 H new ATOM 0 HD2 PRO A 2 13.021 -16.442 -4.909 1.00 23.13 H new ATOM 0 HD3 PRO A 2 13.665 -18.072 -4.878 1.00 23.13 H new ATOM 22 N GLY A 3 9.478 -16.483 -5.272 1.00 32.42 N ATOM 23 CA GLY A 3 8.319 -15.613 -5.343 1.00 11.40 C ATOM 24 C GLY A 3 8.187 -14.724 -4.121 1.00 71.03 C ATOM 25 O GLY A 3 8.688 -15.055 -3.048 1.00 23.24 O ATOM 0 H GLY A 3 10.354 -16.013 -5.042 1.00 32.42 H new ATOM 0 HA2 GLY A 3 8.389 -14.991 -6.235 1.00 11.40 H new ATOM 0 HA3 GLY A 3 7.419 -16.219 -5.447 1.00 11.40 H new ATOM 29 N SER A 4 7.510 -13.593 -4.286 1.00 51.41 N ATOM 30 CA SER A 4 7.317 -12.650 -3.189 1.00 74.44 C ATOM 31 C SER A 4 6.212 -11.652 -3.519 1.00 51.31 C ATOM 32 O SER A 4 5.866 -11.454 -4.684 1.00 33.14 O ATOM 33 CB SER A 4 8.621 -11.907 -2.893 1.00 55.21 C ATOM 34 OG SER A 4 8.699 -10.701 -3.633 1.00 65.11 O ATOM 0 H SER A 4 7.086 -13.306 -5.168 1.00 51.41 H new ATOM 0 HA SER A 4 7.020 -13.214 -2.305 1.00 74.44 H new ATOM 0 HB2 SER A 4 8.685 -11.688 -1.827 1.00 55.21 H new ATOM 0 HB3 SER A 4 9.470 -12.544 -3.139 1.00 55.21 H new ATOM 0 HG SER A 4 9.540 -10.244 -3.425 1.00 65.11 H new ATOM 40 N MET A 5 5.663 -11.024 -2.485 1.00 34.25 N ATOM 41 CA MET A 5 4.598 -10.044 -2.663 1.00 75.22 C ATOM 42 C MET A 5 5.172 -8.644 -2.850 1.00 24.33 C ATOM 43 O MET A 5 6.176 -8.288 -2.235 1.00 21.22 O ATOM 44 CB MET A 5 3.651 -10.064 -1.461 1.00 52.33 C ATOM 45 CG MET A 5 2.181 -9.997 -1.845 1.00 13.22 C ATOM 46 SD MET A 5 1.086 -10.068 -0.414 1.00 0.21 S ATOM 47 CE MET A 5 1.380 -8.459 0.317 1.00 34.05 C ATOM 0 H MET A 5 5.938 -11.176 -1.515 1.00 34.25 H new ATOM 0 HA MET A 5 4.040 -10.311 -3.561 1.00 75.22 H new ATOM 0 HB2 MET A 5 3.827 -10.973 -0.885 1.00 52.33 H new ATOM 0 HB3 MET A 5 3.887 -9.223 -0.809 1.00 52.33 H new ATOM 0 HG2 MET A 5 1.995 -9.074 -2.395 1.00 13.22 H new ATOM 0 HG3 MET A 5 1.947 -10.822 -2.518 1.00 13.22 H new ATOM 0 HE1 MET A 5 1.897 -8.581 1.269 1.00 34.05 H new ATOM 0 HE2 MET A 5 1.995 -7.861 -0.355 1.00 34.05 H new ATOM 0 HE3 MET A 5 0.428 -7.955 0.483 1.00 34.05 H new ATOM 57 N ASN A 6 4.530 -7.854 -3.703 1.00 73.33 N ATOM 58 CA ASN A 6 4.978 -6.492 -3.972 1.00 74.13 C ATOM 59 C ASN A 6 3.894 -5.481 -3.612 1.00 0.13 C ATOM 60 O ASN A 6 2.885 -5.364 -4.306 1.00 73.14 O ATOM 61 CB ASN A 6 5.363 -6.341 -5.445 1.00 12.23 C ATOM 62 CG ASN A 6 6.595 -7.148 -5.807 1.00 13.30 C ATOM 63 OD1 ASN A 6 6.575 -8.378 -5.777 1.00 62.54 O ATOM 64 ND2 ASN A 6 7.675 -6.455 -6.149 1.00 3.04 N ATOM 0 H ASN A 6 3.697 -8.133 -4.221 1.00 73.33 H new ATOM 0 HA ASN A 6 5.853 -6.295 -3.353 1.00 74.13 H new ATOM 0 HB2 ASN A 6 4.528 -6.658 -6.070 1.00 12.23 H new ATOM 0 HB3 ASN A 6 5.544 -5.289 -5.664 1.00 12.23 H new ATOM 0 HD21 ASN A 6 8.535 -6.942 -6.401 1.00 3.04 H new ATOM 0 HD22 ASN A 6 7.645 -5.436 -6.160 1.00 3.04 H new ATOM 71 N ILE A 7 4.111 -4.754 -2.521 1.00 72.14 N ATOM 72 CA ILE A 7 3.154 -3.752 -2.070 1.00 14.04 C ATOM 73 C ILE A 7 3.570 -2.353 -2.514 1.00 33.13 C ATOM 74 O ILE A 7 4.760 -2.043 -2.589 1.00 75.34 O ATOM 75 CB ILE A 7 3.002 -3.767 -0.536 1.00 62.34 C ATOM 76 CG1 ILE A 7 2.716 -5.188 -0.046 1.00 4.13 C ATOM 77 CG2 ILE A 7 1.895 -2.818 -0.103 1.00 42.05 C ATOM 78 CD1 ILE A 7 3.822 -5.765 0.810 1.00 32.33 C ATOM 0 H ILE A 7 4.940 -4.840 -1.934 1.00 72.14 H new ATOM 0 HA ILE A 7 2.196 -4.005 -2.525 1.00 14.04 H new ATOM 0 HB ILE A 7 3.937 -3.429 -0.089 1.00 62.34 H new ATOM 0 HG12 ILE A 7 1.788 -5.187 0.526 1.00 4.13 H new ATOM 0 HG13 ILE A 7 2.559 -5.836 -0.908 1.00 4.13 H new ATOM 0 HG21 ILE A 7 1.801 -2.840 0.983 1.00 42.05 H new ATOM 0 HG22 ILE A 7 2.137 -1.805 -0.425 1.00 42.05 H new ATOM 0 HG23 ILE A 7 0.953 -3.127 -0.556 1.00 42.05 H new ATOM 0 HD11 ILE A 7 3.552 -6.774 1.122 1.00 32.33 H new ATOM 0 HD12 ILE A 7 4.747 -5.798 0.235 1.00 32.33 H new ATOM 0 HD13 ILE A 7 3.965 -5.139 1.691 1.00 32.33 H new ATOM 90 N LEU A 8 2.584 -1.513 -2.803 1.00 12.13 N ATOM 91 CA LEU A 8 2.847 -0.145 -3.238 1.00 63.40 C ATOM 92 C LEU A 8 2.268 0.861 -2.250 1.00 51.50 C ATOM 93 O LEU A 8 1.259 0.596 -1.595 1.00 73.43 O ATOM 94 CB LEU A 8 2.257 0.091 -4.630 1.00 1.13 C ATOM 95 CG LEU A 8 2.375 1.514 -5.176 1.00 3.33 C ATOM 96 CD1 LEU A 8 3.835 1.924 -5.288 1.00 10.43 C ATOM 97 CD2 LEU A 8 1.682 1.627 -6.525 1.00 62.13 C ATOM 0 H LEU A 8 1.595 -1.754 -2.744 1.00 12.13 H new ATOM 0 HA LEU A 8 3.927 -0.004 -3.280 1.00 63.40 H new ATOM 0 HB2 LEU A 8 2.746 -0.587 -5.330 1.00 1.13 H new ATOM 0 HB3 LEU A 8 1.202 -0.181 -4.607 1.00 1.13 H new ATOM 0 HG LEU A 8 1.882 2.192 -4.479 1.00 3.33 H new ATOM 0 HD11 LEU A 8 3.899 2.940 -5.678 1.00 10.43 H new ATOM 0 HD12 LEU A 8 4.301 1.884 -4.303 1.00 10.43 H new ATOM 0 HD13 LEU A 8 4.353 1.243 -5.963 1.00 10.43 H new ATOM 0 HD21 LEU A 8 1.776 2.647 -6.898 1.00 62.13 H new ATOM 0 HD22 LEU A 8 2.145 0.938 -7.231 1.00 62.13 H new ATOM 0 HD23 LEU A 8 0.627 1.377 -6.414 1.00 62.13 H new ATOM 109 N LEU A 9 2.910 2.019 -2.147 1.00 5.35 N ATOM 110 CA LEU A 9 2.458 3.069 -1.240 1.00 3.14 C ATOM 111 C LEU A 9 2.309 4.397 -1.975 1.00 4.24 C ATOM 112 O LEU A 9 3.266 4.904 -2.562 1.00 15.25 O ATOM 113 CB LEU A 9 3.440 3.223 -0.077 1.00 35.04 C ATOM 114 CG LEU A 9 3.106 4.313 0.943 1.00 62.32 C ATOM 115 CD1 LEU A 9 1.831 3.967 1.696 1.00 50.41 C ATOM 116 CD2 LEU A 9 4.263 4.508 1.911 1.00 22.13 C ATOM 0 H LEU A 9 3.746 2.255 -2.681 1.00 5.35 H new ATOM 0 HA LEU A 9 1.483 2.781 -0.848 1.00 3.14 H new ATOM 0 HB2 LEU A 9 3.504 2.270 0.447 1.00 35.04 H new ATOM 0 HB3 LEU A 9 4.429 3.428 -0.487 1.00 35.04 H new ATOM 0 HG LEU A 9 2.944 5.248 0.407 1.00 62.32 H new ATOM 0 HD11 LEU A 9 1.609 4.754 2.417 1.00 50.41 H new ATOM 0 HD12 LEU A 9 1.005 3.878 0.991 1.00 50.41 H new ATOM 0 HD13 LEU A 9 1.964 3.021 2.221 1.00 50.41 H new ATOM 0 HD21 LEU A 9 4.009 5.287 2.630 1.00 22.13 H new ATOM 0 HD22 LEU A 9 4.456 3.575 2.440 1.00 22.13 H new ATOM 0 HD23 LEU A 9 5.155 4.802 1.358 1.00 22.13 H new ATOM 128 N VAL A 10 1.105 4.958 -1.937 1.00 32.54 N ATOM 129 CA VAL A 10 0.831 6.229 -2.595 1.00 62.21 C ATOM 130 C VAL A 10 0.432 7.297 -1.584 1.00 44.15 C ATOM 131 O VAL A 10 -0.545 7.138 -0.851 1.00 42.54 O ATOM 132 CB VAL A 10 -0.287 6.088 -3.645 1.00 71.21 C ATOM 133 CG1 VAL A 10 -0.541 7.418 -4.337 1.00 45.34 C ATOM 134 CG2 VAL A 10 0.067 5.010 -4.658 1.00 31.31 C ATOM 0 H VAL A 10 0.303 4.551 -1.456 1.00 32.54 H new ATOM 0 HA VAL A 10 1.752 6.532 -3.094 1.00 62.21 H new ATOM 0 HB VAL A 10 -1.204 5.790 -3.136 1.00 71.21 H new ATOM 0 HG11 VAL A 10 -1.334 7.298 -5.075 1.00 45.34 H new ATOM 0 HG12 VAL A 10 -0.842 8.161 -3.598 1.00 45.34 H new ATOM 0 HG13 VAL A 10 0.371 7.749 -4.834 1.00 45.34 H new ATOM 0 HG21 VAL A 10 -0.734 4.924 -5.392 1.00 31.31 H new ATOM 0 HG22 VAL A 10 0.995 5.276 -5.163 1.00 31.31 H new ATOM 0 HG23 VAL A 10 0.193 4.056 -4.145 1.00 31.31 H new ATOM 144 N CYS A 11 1.194 8.385 -1.550 1.00 13.54 N ATOM 145 CA CYS A 11 0.920 9.481 -0.628 1.00 11.32 C ATOM 146 C CYS A 11 1.013 10.828 -1.340 1.00 22.22 C ATOM 147 O CYS A 11 1.291 11.852 -0.718 1.00 24.32 O ATOM 148 CB CYS A 11 1.898 9.443 0.547 1.00 11.21 C ATOM 149 SG CYS A 11 2.065 7.816 1.317 1.00 50.14 S ATOM 0 H CYS A 11 2.006 8.531 -2.150 1.00 13.54 H new ATOM 0 HA CYS A 11 -0.095 9.360 -0.250 1.00 11.32 H new ATOM 0 HB2 CYS A 11 2.878 9.771 0.201 1.00 11.21 H new ATOM 0 HB3 CYS A 11 1.570 10.158 1.302 1.00 11.21 H new ATOM 0 HG CYS A 11 2.915 7.886 2.298 1.00 50.14 H new ATOM 155 N GLY A 12 0.780 10.816 -2.649 1.00 44.41 N ATOM 156 CA GLY A 12 0.846 12.041 -3.424 1.00 15.41 C ATOM 157 C GLY A 12 2.178 12.749 -3.279 1.00 11.52 C ATOM 158 O GLY A 12 2.365 13.554 -2.367 1.00 32.24 O ATOM 0 H GLY A 12 0.547 9.981 -3.186 1.00 44.41 H new ATOM 0 HA2 GLY A 12 0.673 11.812 -4.475 1.00 15.41 H new ATOM 0 HA3 GLY A 12 0.046 12.711 -3.108 1.00 15.41 H new ATOM 162 N ALA A 13 3.106 12.450 -4.181 1.00 24.42 N ATOM 163 CA ALA A 13 4.428 13.063 -4.149 1.00 64.12 C ATOM 164 C ALA A 13 5.181 12.681 -2.879 1.00 44.44 C ATOM 165 O ALA A 13 4.619 12.066 -1.975 1.00 21.31 O ATOM 166 CB ALA A 13 4.310 14.576 -4.260 1.00 43.23 C ATOM 0 H ALA A 13 2.967 11.787 -4.943 1.00 24.42 H new ATOM 0 HA ALA A 13 4.995 12.689 -5.002 1.00 64.12 H new ATOM 0 HB1 ALA A 13 5.305 15.021 -4.235 1.00 43.23 H new ATOM 0 HB2 ALA A 13 3.820 14.835 -5.199 1.00 43.23 H new ATOM 0 HB3 ALA A 13 3.721 14.957 -3.426 1.00 43.23 H new ATOM 172 N GLY A 14 6.457 13.051 -2.819 1.00 55.44 N ATOM 173 CA GLY A 14 7.266 12.738 -1.656 1.00 35.13 C ATOM 174 C GLY A 14 8.630 13.397 -1.704 1.00 72.13 C ATOM 175 O GLY A 14 8.807 14.426 -2.354 1.00 11.41 O ATOM 0 H GLY A 14 6.944 13.562 -3.555 1.00 55.44 H new ATOM 0 HA2 GLY A 14 6.742 13.059 -0.756 1.00 35.13 H new ATOM 0 HA3 GLY A 14 7.390 11.658 -1.584 1.00 35.13 H new ATOM 179 N MET A 15 9.597 12.802 -1.012 1.00 5.42 N ATOM 180 CA MET A 15 10.952 13.339 -0.979 1.00 23.31 C ATOM 181 C MET A 15 11.914 12.347 -0.333 1.00 20.22 C ATOM 182 O MET A 15 12.760 12.726 0.478 1.00 64.54 O ATOM 183 CB MET A 15 10.981 14.665 -0.216 1.00 32.30 C ATOM 184 CG MET A 15 12.202 15.516 -0.522 1.00 41.43 C ATOM 185 SD MET A 15 12.399 16.888 0.631 1.00 24.04 S ATOM 186 CE MET A 15 11.104 17.991 0.072 1.00 50.34 C ATOM 0 H MET A 15 9.467 11.949 -0.468 1.00 5.42 H new ATOM 0 HA MET A 15 11.272 13.513 -2.007 1.00 23.31 H new ATOM 0 HB2 MET A 15 10.083 15.233 -0.457 1.00 32.30 H new ATOM 0 HB3 MET A 15 10.950 14.460 0.854 1.00 32.30 H new ATOM 0 HG2 MET A 15 13.094 14.890 -0.491 1.00 41.43 H new ATOM 0 HG3 MET A 15 12.122 15.907 -1.536 1.00 41.43 H new ATOM 0 HE1 MET A 15 11.111 18.897 0.678 1.00 50.34 H new ATOM 0 HE2 MET A 15 11.274 18.252 -0.972 1.00 50.34 H new ATOM 0 HE3 MET A 15 10.138 17.496 0.169 1.00 50.34 H new ATOM 196 N SER A 16 11.778 11.076 -0.696 1.00 31.32 N ATOM 197 CA SER A 16 12.632 10.028 -0.147 1.00 1.21 C ATOM 198 C SER A 16 12.465 9.928 1.366 1.00 61.34 C ATOM 199 O SER A 16 11.815 10.768 1.988 1.00 35.34 O ATOM 200 CB SER A 16 14.097 10.303 -0.493 1.00 11.41 C ATOM 201 OG SER A 16 14.807 9.094 -0.704 1.00 53.32 O ATOM 0 H SER A 16 11.085 10.746 -1.368 1.00 31.32 H new ATOM 0 HA SER A 16 12.333 9.079 -0.591 1.00 1.21 H new ATOM 0 HB2 SER A 16 14.152 10.922 -1.388 1.00 11.41 H new ATOM 0 HB3 SER A 16 14.565 10.867 0.314 1.00 11.41 H new ATOM 0 HG SER A 16 15.740 9.297 -0.925 1.00 53.32 H new ATOM 207 N THR A 17 13.058 8.891 1.953 1.00 55.12 N ATOM 208 CA THR A 17 12.974 8.678 3.392 1.00 25.13 C ATOM 209 C THR A 17 11.524 8.661 3.862 1.00 32.12 C ATOM 210 O THR A 17 10.958 9.700 4.200 1.00 63.25 O ATOM 211 CB THR A 17 13.739 9.768 4.167 1.00 64.32 C ATOM 212 OG1 THR A 17 14.939 10.115 3.466 1.00 4.44 O ATOM 213 CG2 THR A 17 14.086 9.292 5.570 1.00 13.20 C ATOM 0 H THR A 17 13.601 8.187 1.453 1.00 55.12 H new ATOM 0 HA THR A 17 13.431 7.709 3.595 1.00 25.13 H new ATOM 0 HB THR A 17 13.097 10.645 4.246 1.00 64.32 H new ATOM 0 HG1 THR A 17 15.419 10.810 3.963 1.00 4.44 H new ATOM 0 HG21 THR A 17 14.626 10.078 6.098 1.00 13.20 H new ATOM 0 HG22 THR A 17 13.170 9.055 6.111 1.00 13.20 H new ATOM 0 HG23 THR A 17 14.711 8.401 5.508 1.00 13.20 H new ATOM 221 N SER A 18 10.928 7.472 3.882 1.00 11.10 N ATOM 222 CA SER A 18 9.542 7.320 4.309 1.00 51.03 C ATOM 223 C SER A 18 9.458 6.540 5.617 1.00 62.31 C ATOM 224 O SER A 18 9.833 5.369 5.678 1.00 73.34 O ATOM 225 CB SER A 18 8.728 6.610 3.226 1.00 51.23 C ATOM 226 OG SER A 18 8.349 7.512 2.200 1.00 72.24 O ATOM 0 H SER A 18 11.383 6.601 3.608 1.00 11.10 H new ATOM 0 HA SER A 18 9.127 8.315 4.473 1.00 51.03 H new ATOM 0 HB2 SER A 18 9.315 5.796 2.801 1.00 51.23 H new ATOM 0 HB3 SER A 18 7.838 6.164 3.669 1.00 51.23 H new ATOM 0 HG SER A 18 7.831 7.034 1.519 1.00 72.24 H new ATOM 232 N MET A 19 8.966 7.197 6.662 1.00 53.55 N ATOM 233 CA MET A 19 8.831 6.565 7.969 1.00 64.34 C ATOM 234 C MET A 19 8.080 5.243 7.859 1.00 74.44 C ATOM 235 O MET A 19 8.539 4.212 8.354 1.00 50.13 O ATOM 236 CB MET A 19 8.106 7.499 8.939 1.00 75.42 C ATOM 237 CG MET A 19 8.762 8.863 9.075 1.00 50.40 C ATOM 238 SD MET A 19 7.565 10.212 9.079 1.00 11.51 S ATOM 239 CE MET A 19 8.655 11.632 9.007 1.00 72.21 C ATOM 0 H MET A 19 8.654 8.168 6.629 1.00 53.55 H new ATOM 0 HA MET A 19 9.831 6.362 8.352 1.00 64.34 H new ATOM 0 HB2 MET A 19 7.078 7.632 8.603 1.00 75.42 H new ATOM 0 HB3 MET A 19 8.062 7.027 9.920 1.00 75.42 H new ATOM 0 HG2 MET A 19 9.341 8.893 9.998 1.00 50.40 H new ATOM 0 HG3 MET A 19 9.464 9.008 8.254 1.00 50.40 H new ATOM 0 HE1 MET A 19 8.062 12.546 9.003 1.00 72.21 H new ATOM 0 HE2 MET A 19 9.313 11.630 9.876 1.00 72.21 H new ATOM 0 HE3 MET A 19 9.255 11.584 8.098 1.00 72.21 H new ATOM 249 N LEU A 20 6.923 5.278 7.206 1.00 1.00 N ATOM 250 CA LEU A 20 6.107 4.081 7.032 1.00 51.54 C ATOM 251 C LEU A 20 6.932 2.940 6.446 1.00 72.53 C ATOM 252 O LEU A 20 7.017 1.859 7.028 1.00 62.22 O ATOM 253 CB LEU A 20 4.914 4.382 6.122 1.00 32.13 C ATOM 254 CG LEU A 20 3.634 4.838 6.822 1.00 33.34 C ATOM 255 CD1 LEU A 20 3.127 3.757 7.764 1.00 14.34 C ATOM 256 CD2 LEU A 20 3.874 6.137 7.578 1.00 13.05 C ATOM 0 H LEU A 20 6.529 6.121 6.789 1.00 1.00 H new ATOM 0 HA LEU A 20 5.741 3.774 8.012 1.00 51.54 H new ATOM 0 HB2 LEU A 20 5.210 5.154 5.411 1.00 32.13 H new ATOM 0 HB3 LEU A 20 4.689 3.486 5.544 1.00 32.13 H new ATOM 0 HG LEU A 20 2.872 5.017 6.064 1.00 33.34 H new ATOM 0 HD11 LEU A 20 2.215 4.099 8.253 1.00 14.34 H new ATOM 0 HD12 LEU A 20 2.916 2.850 7.197 1.00 14.34 H new ATOM 0 HD13 LEU A 20 3.886 3.546 8.517 1.00 14.34 H new ATOM 0 HD21 LEU A 20 2.952 6.447 8.070 1.00 13.05 H new ATOM 0 HD22 LEU A 20 4.651 5.984 8.326 1.00 13.05 H new ATOM 0 HD23 LEU A 20 4.190 6.911 6.879 1.00 13.05 H new ATOM 268 N VAL A 21 7.541 3.189 5.291 1.00 43.25 N ATOM 269 CA VAL A 21 8.364 2.183 4.628 1.00 10.30 C ATOM 270 C VAL A 21 9.407 1.612 5.580 1.00 5.41 C ATOM 271 O VAL A 21 9.610 0.400 5.639 1.00 33.21 O ATOM 272 CB VAL A 21 9.075 2.766 3.392 1.00 3.44 C ATOM 273 CG1 VAL A 21 9.905 1.696 2.700 1.00 53.01 C ATOM 274 CG2 VAL A 21 8.064 3.374 2.433 1.00 1.11 C ATOM 0 H VAL A 21 7.480 4.078 4.795 1.00 43.25 H new ATOM 0 HA VAL A 21 7.694 1.385 4.309 1.00 10.30 H new ATOM 0 HB VAL A 21 9.749 3.557 3.721 1.00 3.44 H new ATOM 0 HG11 VAL A 21 10.400 2.126 1.829 1.00 53.01 H new ATOM 0 HG12 VAL A 21 10.655 1.314 3.392 1.00 53.01 H new ATOM 0 HG13 VAL A 21 9.255 0.880 2.382 1.00 53.01 H new ATOM 0 HG21 VAL A 21 8.584 3.781 1.566 1.00 1.11 H new ATOM 0 HG22 VAL A 21 7.363 2.605 2.108 1.00 1.11 H new ATOM 0 HG23 VAL A 21 7.519 4.172 2.937 1.00 1.11 H new ATOM 284 N GLN A 22 10.068 2.494 6.324 1.00 52.12 N ATOM 285 CA GLN A 22 11.092 2.076 7.274 1.00 35.14 C ATOM 286 C GLN A 22 10.531 1.067 8.271 1.00 10.32 C ATOM 287 O GLN A 22 11.082 -0.019 8.446 1.00 74.34 O ATOM 288 CB GLN A 22 11.652 3.290 8.019 1.00 63.12 C ATOM 289 CG GLN A 22 12.934 3.836 7.413 1.00 44.03 C ATOM 290 CD GLN A 22 13.458 5.051 8.153 1.00 52.23 C ATOM 291 OE1 GLN A 22 13.687 6.104 7.557 1.00 24.30 O ATOM 292 NE2 GLN A 22 13.650 4.912 9.460 1.00 74.50 N ATOM 0 H GLN A 22 9.913 3.501 6.287 1.00 52.12 H new ATOM 0 HA GLN A 22 11.897 1.598 6.715 1.00 35.14 H new ATOM 0 HB2 GLN A 22 10.900 4.079 8.029 1.00 63.12 H new ATOM 0 HB3 GLN A 22 11.839 3.015 9.057 1.00 63.12 H new ATOM 0 HG2 GLN A 22 13.695 3.056 7.419 1.00 44.03 H new ATOM 0 HG3 GLN A 22 12.755 4.099 6.371 1.00 44.03 H new ATOM 0 HE21 GLN A 22 13.447 4.021 9.913 1.00 74.50 H new ATOM 0 HE22 GLN A 22 14.000 5.696 10.010 1.00 74.50 H new ATOM 301 N ARG A 23 9.433 1.436 8.923 1.00 32.31 N ATOM 302 CA ARG A 23 8.798 0.563 9.904 1.00 5.31 C ATOM 303 C ARG A 23 8.475 -0.797 9.294 1.00 64.44 C ATOM 304 O ARG A 23 8.896 -1.835 9.807 1.00 13.52 O ATOM 305 CB ARG A 23 7.519 1.210 10.441 1.00 24.15 C ATOM 306 CG ARG A 23 7.753 2.551 11.116 1.00 4.55 C ATOM 307 CD ARG A 23 7.631 2.444 12.628 1.00 21.12 C ATOM 308 NE ARG A 23 8.583 1.488 13.187 1.00 72.30 N ATOM 309 CZ ARG A 23 8.748 1.291 14.491 1.00 54.32 C ATOM 310 NH1 ARG A 23 8.027 1.980 15.364 1.00 5.41 N ATOM 311 NH2 ARG A 23 9.635 0.404 14.922 1.00 33.45 N ATOM 0 H ARG A 23 8.965 2.332 8.790 1.00 32.31 H new ATOM 0 HA ARG A 23 9.497 0.415 10.728 1.00 5.31 H new ATOM 0 HB2 ARG A 23 6.817 1.344 9.618 1.00 24.15 H new ATOM 0 HB3 ARG A 23 7.050 0.531 11.153 1.00 24.15 H new ATOM 0 HG2 ARG A 23 8.744 2.922 10.856 1.00 4.55 H new ATOM 0 HG3 ARG A 23 7.032 3.278 10.742 1.00 4.55 H new ATOM 0 HD2 ARG A 23 7.796 3.424 13.075 1.00 21.12 H new ATOM 0 HD3 ARG A 23 6.617 2.141 12.889 1.00 21.12 H new ATOM 0 HE ARG A 23 9.153 0.941 12.541 1.00 72.30 H new ATOM 0 HH11 ARG A 23 7.344 2.663 15.035 1.00 5.41 H new ATOM 0 HH12 ARG A 23 8.155 1.827 16.364 1.00 5.41 H new ATOM 0 HH21 ARG A 23 10.191 -0.128 14.252 1.00 33.45 H new ATOM 0 HH22 ARG A 23 9.761 0.254 15.923 1.00 33.45 H new ATOM 325 N ILE A 24 7.727 -0.784 8.196 1.00 11.12 N ATOM 326 CA ILE A 24 7.348 -2.016 7.516 1.00 62.34 C ATOM 327 C ILE A 24 8.575 -2.857 7.178 1.00 41.54 C ATOM 328 O ILE A 24 8.580 -4.071 7.374 1.00 25.31 O ATOM 329 CB ILE A 24 6.565 -1.727 6.221 1.00 23.52 C ATOM 330 CG1 ILE A 24 5.308 -0.914 6.532 1.00 74.12 C ATOM 331 CG2 ILE A 24 6.202 -3.029 5.521 1.00 12.44 C ATOM 332 CD1 ILE A 24 5.088 0.245 5.584 1.00 62.21 C ATOM 0 H ILE A 24 7.372 0.066 7.758 1.00 11.12 H new ATOM 0 HA ILE A 24 6.708 -2.571 8.202 1.00 62.34 H new ATOM 0 HB ILE A 24 7.197 -1.142 5.553 1.00 23.52 H new ATOM 0 HG12 ILE A 24 4.440 -1.573 6.495 1.00 74.12 H new ATOM 0 HG13 ILE A 24 5.375 -0.532 7.551 1.00 74.12 H new ATOM 0 HG21 ILE A 24 5.649 -2.809 4.608 1.00 12.44 H new ATOM 0 HG22 ILE A 24 7.112 -3.574 5.272 1.00 12.44 H new ATOM 0 HG23 ILE A 24 5.584 -3.637 6.182 1.00 12.44 H new ATOM 0 HD11 ILE A 24 4.179 0.777 5.864 1.00 62.21 H new ATOM 0 HD12 ILE A 24 5.938 0.926 5.638 1.00 62.21 H new ATOM 0 HD13 ILE A 24 4.989 -0.131 4.566 1.00 62.21 H new ATOM 344 N GLU A 25 9.614 -2.201 6.669 1.00 11.23 N ATOM 345 CA GLU A 25 10.847 -2.888 6.305 1.00 13.42 C ATOM 346 C GLU A 25 11.473 -3.563 7.522 1.00 44.43 C ATOM 347 O GLU A 25 11.998 -4.673 7.429 1.00 41.30 O ATOM 348 CB GLU A 25 11.841 -1.904 5.685 1.00 13.25 C ATOM 349 CG GLU A 25 11.663 -1.721 4.187 1.00 64.21 C ATOM 350 CD GLU A 25 12.961 -1.369 3.485 1.00 32.42 C ATOM 351 OE1 GLU A 25 13.983 -1.190 4.179 1.00 31.30 O ATOM 352 OE2 GLU A 25 12.952 -1.274 2.240 1.00 64.11 O ATOM 0 H GLU A 25 9.626 -1.195 6.500 1.00 11.23 H new ATOM 0 HA GLU A 25 10.602 -3.656 5.571 1.00 13.42 H new ATOM 0 HB2 GLU A 25 11.735 -0.936 6.176 1.00 13.25 H new ATOM 0 HB3 GLU A 25 12.855 -2.252 5.882 1.00 13.25 H new ATOM 0 HG2 GLU A 25 11.259 -2.638 3.758 1.00 64.21 H new ATOM 0 HG3 GLU A 25 10.931 -0.934 4.005 1.00 64.21 H new ATOM 359 N LYS A 26 11.415 -2.884 8.663 1.00 10.20 N ATOM 360 CA LYS A 26 11.975 -3.415 9.900 1.00 70.43 C ATOM 361 C LYS A 26 11.219 -4.662 10.348 1.00 32.10 C ATOM 362 O LYS A 26 11.802 -5.738 10.489 1.00 43.44 O ATOM 363 CB LYS A 26 11.930 -2.355 11.001 1.00 33.24 C ATOM 364 CG LYS A 26 13.301 -1.970 11.532 1.00 55.51 C ATOM 365 CD LYS A 26 14.208 -1.470 10.420 1.00 74.33 C ATOM 366 CE LYS A 26 15.439 -0.773 10.977 1.00 2.00 C ATOM 367 NZ LYS A 26 15.232 0.696 11.111 1.00 21.21 N ATOM 0 H LYS A 26 10.985 -1.964 8.756 1.00 10.20 H new ATOM 0 HA LYS A 26 13.013 -3.689 9.711 1.00 70.43 H new ATOM 0 HB2 LYS A 26 11.436 -1.463 10.615 1.00 33.24 H new ATOM 0 HB3 LYS A 26 11.321 -2.726 11.826 1.00 33.24 H new ATOM 0 HG2 LYS A 26 13.194 -1.196 12.292 1.00 55.51 H new ATOM 0 HG3 LYS A 26 13.760 -2.832 12.017 1.00 55.51 H new ATOM 0 HD2 LYS A 26 14.515 -2.308 9.795 1.00 74.33 H new ATOM 0 HD3 LYS A 26 13.656 -0.781 9.781 1.00 74.33 H new ATOM 0 HE2 LYS A 26 15.686 -1.195 11.951 1.00 2.00 H new ATOM 0 HE3 LYS A 26 16.290 -0.962 10.323 1.00 2.00 H new ATOM 0 HZ1 LYS A 26 16.094 1.135 11.494 1.00 21.21 H new ATOM 0 HZ2 LYS A 26 15.021 1.103 10.178 1.00 21.21 H new ATOM 0 HZ3 LYS A 26 14.436 0.877 11.755 1.00 21.21 H new ATOM 381 N TYR A 27 9.918 -4.512 10.569 1.00 52.22 N ATOM 382 CA TYR A 27 9.082 -5.625 11.001 1.00 32.41 C ATOM 383 C TYR A 27 9.244 -6.823 10.070 1.00 12.40 C ATOM 384 O TYR A 27 9.399 -7.957 10.520 1.00 61.40 O ATOM 385 CB TYR A 27 7.614 -5.199 11.052 1.00 74.13 C ATOM 386 CG TYR A 27 6.664 -6.334 11.360 1.00 73.15 C ATOM 387 CD1 TYR A 27 6.173 -7.149 10.346 1.00 21.01 C ATOM 388 CD2 TYR A 27 6.256 -6.591 12.662 1.00 74.04 C ATOM 389 CE1 TYR A 27 5.305 -8.187 10.622 1.00 34.11 C ATOM 390 CE2 TYR A 27 5.389 -7.628 12.947 1.00 13.31 C ATOM 391 CZ TYR A 27 4.915 -8.423 11.925 1.00 64.34 C ATOM 392 OH TYR A 27 4.051 -9.456 12.205 1.00 73.22 O ATOM 0 H TYR A 27 9.419 -3.629 10.456 1.00 52.22 H new ATOM 0 HA TYR A 27 9.403 -5.919 12.000 1.00 32.41 H new ATOM 0 HB2 TYR A 27 7.496 -4.422 11.808 1.00 74.13 H new ATOM 0 HB3 TYR A 27 7.339 -4.756 10.094 1.00 74.13 H new ATOM 0 HD1 TYR A 27 6.476 -6.967 9.325 1.00 21.01 H new ATOM 0 HD2 TYR A 27 6.623 -5.970 13.466 1.00 74.04 H new ATOM 0 HE1 TYR A 27 4.933 -8.811 9.823 1.00 34.11 H new ATOM 0 HE2 TYR A 27 5.084 -7.815 13.966 1.00 13.31 H new ATOM 0 HH TYR A 27 3.879 -9.486 13.169 1.00 73.22 H new ATOM 402 N ALA A 28 9.207 -6.559 8.768 1.00 64.25 N ATOM 403 CA ALA A 28 9.352 -7.614 7.772 1.00 41.44 C ATOM 404 C ALA A 28 10.744 -8.234 7.828 1.00 41.02 C ATOM 405 O ALA A 28 10.889 -9.456 7.885 1.00 71.13 O ATOM 406 CB ALA A 28 9.072 -7.066 6.379 1.00 23.02 C ATOM 0 H ALA A 28 9.078 -5.625 8.379 1.00 64.25 H new ATOM 0 HA ALA A 28 8.626 -8.395 7.997 1.00 41.44 H new ATOM 0 HB1 ALA A 28 9.184 -7.864 5.645 1.00 23.02 H new ATOM 0 HB2 ALA A 28 8.055 -6.676 6.339 1.00 23.02 H new ATOM 0 HB3 ALA A 28 9.777 -6.265 6.155 1.00 23.02 H new ATOM 412 N LYS A 29 11.766 -7.385 7.812 1.00 71.44 N ATOM 413 CA LYS A 29 13.148 -7.850 7.861 1.00 32.11 C ATOM 414 C LYS A 29 13.398 -8.679 9.117 1.00 10.01 C ATOM 415 O LYS A 29 14.264 -9.554 9.133 1.00 42.55 O ATOM 416 CB LYS A 29 14.109 -6.660 7.823 1.00 52.25 C ATOM 417 CG LYS A 29 14.354 -6.120 6.424 1.00 35.02 C ATOM 418 CD LYS A 29 15.121 -4.809 6.459 1.00 64.45 C ATOM 419 CE LYS A 29 16.362 -4.868 5.580 1.00 53.41 C ATOM 420 NZ LYS A 29 17.448 -3.990 6.097 1.00 63.10 N ATOM 0 H LYS A 29 11.664 -6.371 7.765 1.00 71.44 H new ATOM 0 HA LYS A 29 13.325 -8.480 6.989 1.00 32.11 H new ATOM 0 HB2 LYS A 29 13.709 -5.861 8.447 1.00 52.25 H new ATOM 0 HB3 LYS A 29 15.062 -6.959 8.260 1.00 52.25 H new ATOM 0 HG2 LYS A 29 14.912 -6.854 5.842 1.00 35.02 H new ATOM 0 HG3 LYS A 29 13.400 -5.971 5.918 1.00 35.02 H new ATOM 0 HD2 LYS A 29 14.474 -3.998 6.124 1.00 64.45 H new ATOM 0 HD3 LYS A 29 15.411 -4.582 7.485 1.00 64.45 H new ATOM 0 HE2 LYS A 29 16.720 -5.896 5.526 1.00 53.41 H new ATOM 0 HE3 LYS A 29 16.103 -4.567 4.565 1.00 53.41 H new ATOM 0 HZ1 LYS A 29 18.276 -4.057 5.472 1.00 63.10 H new ATOM 0 HZ2 LYS A 29 17.115 -3.005 6.125 1.00 63.10 H new ATOM 0 HZ3 LYS A 29 17.713 -4.293 7.056 1.00 63.10 H new ATOM 434 N SER A 30 12.633 -8.399 10.168 1.00 64.45 N ATOM 435 CA SER A 30 12.774 -9.118 11.428 1.00 54.42 C ATOM 436 C SER A 30 11.960 -10.408 11.412 1.00 0.23 C ATOM 437 O SER A 30 12.420 -11.453 11.874 1.00 64.14 O ATOM 438 CB SER A 30 12.329 -8.235 12.596 1.00 55.22 C ATOM 439 OG SER A 30 13.399 -8.000 13.494 1.00 12.25 O ATOM 0 H SER A 30 11.910 -7.680 10.171 1.00 64.45 H new ATOM 0 HA SER A 30 13.826 -9.374 11.556 1.00 54.42 H new ATOM 0 HB2 SER A 30 11.954 -7.285 12.215 1.00 55.22 H new ATOM 0 HB3 SER A 30 11.505 -8.714 13.125 1.00 55.22 H new ATOM 0 HG SER A 30 13.089 -7.432 14.230 1.00 12.25 H new ATOM 445 N LYS A 31 10.746 -10.327 10.878 1.00 64.43 N ATOM 446 CA LYS A 31 9.866 -11.487 10.799 1.00 74.51 C ATOM 447 C LYS A 31 10.349 -12.467 9.735 1.00 42.13 C ATOM 448 O LYS A 31 9.935 -13.624 9.709 1.00 61.42 O ATOM 449 CB LYS A 31 8.434 -11.046 10.488 1.00 55.20 C ATOM 450 CG LYS A 31 7.506 -11.102 11.689 1.00 31.44 C ATOM 451 CD LYS A 31 7.245 -12.534 12.126 1.00 24.50 C ATOM 452 CE LYS A 31 5.829 -12.972 11.788 1.00 43.34 C ATOM 453 NZ LYS A 31 5.788 -14.369 11.273 1.00 35.11 N ATOM 0 H LYS A 31 10.349 -9.470 10.493 1.00 64.43 H new ATOM 0 HA LYS A 31 9.884 -11.991 11.766 1.00 74.51 H new ATOM 0 HB2 LYS A 31 8.452 -10.027 10.101 1.00 55.20 H new ATOM 0 HB3 LYS A 31 8.031 -11.680 9.698 1.00 55.20 H new ATOM 0 HG2 LYS A 31 7.945 -10.543 12.515 1.00 31.44 H new ATOM 0 HG3 LYS A 31 6.561 -10.618 11.443 1.00 31.44 H new ATOM 0 HD2 LYS A 31 7.958 -13.199 11.640 1.00 24.50 H new ATOM 0 HD3 LYS A 31 7.408 -12.623 13.200 1.00 24.50 H new ATOM 0 HE2 LYS A 31 5.203 -12.894 12.677 1.00 43.34 H new ATOM 0 HE3 LYS A 31 5.409 -12.298 11.042 1.00 43.34 H new ATOM 0 HZ1 LYS A 31 4.805 -14.630 11.054 1.00 35.11 H new ATOM 0 HZ2 LYS A 31 6.365 -14.438 10.410 1.00 35.11 H new ATOM 0 HZ3 LYS A 31 6.165 -15.016 11.994 1.00 35.11 H new ATOM 467 N ASN A 32 11.229 -11.993 8.857 1.00 3.10 N ATOM 468 CA ASN A 32 11.770 -12.828 7.791 1.00 73.45 C ATOM 469 C ASN A 32 10.668 -13.263 6.829 1.00 64.22 C ATOM 470 O ASN A 32 10.400 -14.455 6.677 1.00 75.31 O ATOM 471 CB ASN A 32 12.464 -14.058 8.380 1.00 71.12 C ATOM 472 CG ASN A 32 13.580 -14.574 7.491 1.00 13.43 C ATOM 473 OD1 ASN A 32 13.791 -14.070 6.388 1.00 61.12 O ATOM 474 ND2 ASN A 32 14.298 -15.582 7.969 1.00 31.52 N ATOM 0 H ASN A 32 11.582 -11.036 8.863 1.00 3.10 H new ATOM 0 HA ASN A 32 12.500 -12.239 7.237 1.00 73.45 H new ATOM 0 HB2 ASN A 32 12.870 -13.808 9.360 1.00 71.12 H new ATOM 0 HB3 ASN A 32 11.729 -14.849 8.532 1.00 71.12 H new ATOM 0 HD21 ASN A 32 15.062 -15.971 7.416 1.00 31.52 H new ATOM 0 HD22 ASN A 32 14.086 -15.968 8.889 1.00 31.52 H new ATOM 481 N ILE A 33 10.036 -12.290 6.183 1.00 72.12 N ATOM 482 CA ILE A 33 8.965 -12.573 5.235 1.00 4.31 C ATOM 483 C ILE A 33 9.370 -12.183 3.817 1.00 14.21 C ATOM 484 O ILE A 33 10.035 -11.170 3.607 1.00 13.33 O ATOM 485 CB ILE A 33 7.670 -11.829 5.611 1.00 74.51 C ATOM 486 CG1 ILE A 33 7.216 -12.229 7.016 1.00 4.43 C ATOM 487 CG2 ILE A 33 6.578 -12.121 4.593 1.00 32.40 C ATOM 488 CD1 ILE A 33 6.249 -11.247 7.641 1.00 43.30 C ATOM 0 H ILE A 33 10.247 -11.299 6.298 1.00 72.12 H new ATOM 0 HA ILE A 33 8.782 -13.647 5.276 1.00 4.31 H new ATOM 0 HB ILE A 33 7.869 -10.757 5.605 1.00 74.51 H new ATOM 0 HG12 ILE A 33 6.746 -13.211 6.971 1.00 4.43 H new ATOM 0 HG13 ILE A 33 8.091 -12.324 7.659 1.00 4.43 H new ATOM 0 HG21 ILE A 33 5.669 -11.588 4.872 1.00 32.40 H new ATOM 0 HG22 ILE A 33 6.903 -11.792 3.606 1.00 32.40 H new ATOM 0 HG23 ILE A 33 6.379 -13.192 4.571 1.00 32.40 H new ATOM 0 HD11 ILE A 33 5.970 -11.594 8.636 1.00 43.30 H new ATOM 0 HD12 ILE A 33 6.723 -10.269 7.718 1.00 43.30 H new ATOM 0 HD13 ILE A 33 5.357 -11.170 7.020 1.00 43.30 H new ATOM 500 N ASN A 34 8.960 -12.993 2.847 1.00 15.41 N ATOM 501 CA ASN A 34 9.278 -12.732 1.448 1.00 74.21 C ATOM 502 C ASN A 34 8.319 -11.703 0.855 1.00 21.11 C ATOM 503 O ASN A 34 7.346 -12.058 0.191 1.00 20.13 O ATOM 504 CB ASN A 34 9.216 -14.029 0.639 1.00 21.12 C ATOM 505 CG ASN A 34 10.118 -15.109 1.207 1.00 51.55 C ATOM 506 OD1 ASN A 34 11.307 -14.884 1.433 1.00 31.02 O ATOM 507 ND2 ASN A 34 9.554 -16.288 1.439 1.00 71.42 N ATOM 0 H ASN A 34 8.407 -13.836 3.004 1.00 15.41 H new ATOM 0 HA ASN A 34 10.290 -12.330 1.400 1.00 74.21 H new ATOM 0 HB2 ASN A 34 8.188 -14.392 0.618 1.00 21.12 H new ATOM 0 HB3 ASN A 34 9.503 -13.825 -0.392 1.00 21.12 H new ATOM 0 HD21 ASN A 34 10.110 -17.053 1.820 1.00 71.42 H new ATOM 0 HD22 ASN A 34 8.564 -16.429 1.236 1.00 71.42 H new ATOM 514 N ALA A 35 8.603 -10.428 1.099 1.00 30.40 N ATOM 515 CA ALA A 35 7.768 -9.349 0.588 1.00 45.23 C ATOM 516 C ALA A 35 8.583 -8.077 0.380 1.00 52.41 C ATOM 517 O ALA A 35 9.708 -7.959 0.869 1.00 74.24 O ATOM 518 CB ALA A 35 6.607 -9.086 1.535 1.00 52.52 C ATOM 0 H ALA A 35 9.405 -10.117 1.647 1.00 30.40 H new ATOM 0 HA ALA A 35 7.370 -9.657 -0.379 1.00 45.23 H new ATOM 0 HB1 ALA A 35 5.992 -8.277 1.140 1.00 52.52 H new ATOM 0 HB2 ALA A 35 6.003 -9.988 1.630 1.00 52.52 H new ATOM 0 HB3 ALA A 35 6.993 -8.803 2.514 1.00 52.52 H new ATOM 524 N THR A 36 8.010 -7.124 -0.348 1.00 14.33 N ATOM 525 CA THR A 36 8.683 -5.860 -0.621 1.00 42.02 C ATOM 526 C THR A 36 7.679 -4.723 -0.773 1.00 24.33 C ATOM 527 O THR A 36 6.617 -4.896 -1.372 1.00 71.44 O ATOM 528 CB THR A 36 9.540 -5.946 -1.898 1.00 3.31 C ATOM 529 OG1 THR A 36 10.251 -4.719 -2.095 1.00 15.13 O ATOM 530 CG2 THR A 36 8.673 -6.236 -3.114 1.00 4.13 C ATOM 0 H THR A 36 7.080 -7.204 -0.760 1.00 14.33 H new ATOM 0 HA THR A 36 9.331 -5.656 0.231 1.00 42.02 H new ATOM 0 HB THR A 36 10.252 -6.762 -1.776 1.00 3.31 H new ATOM 0 HG1 THR A 36 10.795 -4.783 -2.908 1.00 15.13 H new ATOM 0 HG21 THR A 36 9.301 -6.292 -4.003 1.00 4.13 H new ATOM 0 HG22 THR A 36 8.156 -7.185 -2.974 1.00 4.13 H new ATOM 0 HG23 THR A 36 7.940 -5.439 -3.237 1.00 4.13 H new ATOM 538 N ILE A 37 8.022 -3.561 -0.227 1.00 13.10 N ATOM 539 CA ILE A 37 7.150 -2.396 -0.304 1.00 13.24 C ATOM 540 C ILE A 37 7.922 -1.161 -0.756 1.00 41.52 C ATOM 541 O ILE A 37 9.118 -1.036 -0.498 1.00 63.31 O ATOM 542 CB ILE A 37 6.483 -2.101 1.053 1.00 72.31 C ATOM 543 CG1 ILE A 37 5.405 -1.027 0.894 1.00 61.13 C ATOM 544 CG2 ILE A 37 7.525 -1.667 2.072 1.00 44.01 C ATOM 545 CD1 ILE A 37 4.373 -1.038 1.999 1.00 51.04 C ATOM 0 H ILE A 37 8.897 -3.402 0.273 1.00 13.10 H new ATOM 0 HA ILE A 37 6.377 -2.628 -1.037 1.00 13.24 H new ATOM 0 HB ILE A 37 6.009 -3.014 1.414 1.00 72.31 H new ATOM 0 HG12 ILE A 37 5.882 -0.047 0.863 1.00 61.13 H new ATOM 0 HG13 ILE A 37 4.902 -1.167 -0.063 1.00 61.13 H new ATOM 0 HG21 ILE A 37 7.038 -1.462 3.026 1.00 44.01 H new ATOM 0 HG22 ILE A 37 8.259 -2.462 2.203 1.00 44.01 H new ATOM 0 HG23 ILE A 37 8.026 -0.765 1.719 1.00 44.01 H new ATOM 0 HD11 ILE A 37 3.641 -0.250 1.821 1.00 51.04 H new ATOM 0 HD12 ILE A 37 3.869 -2.004 2.017 1.00 51.04 H new ATOM 0 HD13 ILE A 37 4.864 -0.867 2.957 1.00 51.04 H new ATOM 557 N GLU A 38 7.227 -0.250 -1.432 1.00 4.33 N ATOM 558 CA GLU A 38 7.849 0.976 -1.920 1.00 31.04 C ATOM 559 C GLU A 38 6.820 2.096 -2.041 1.00 72.53 C ATOM 560 O GLU A 38 5.649 1.849 -2.330 1.00 71.32 O ATOM 561 CB GLU A 38 8.516 0.732 -3.274 1.00 64.54 C ATOM 562 CG GLU A 38 9.562 1.774 -3.634 1.00 70.04 C ATOM 563 CD GLU A 38 10.894 1.156 -4.014 1.00 22.11 C ATOM 564 OE1 GLU A 38 11.374 0.276 -3.268 1.00 33.32 O ATOM 565 OE2 GLU A 38 11.457 1.552 -5.056 1.00 21.45 O ATOM 0 H GLU A 38 6.235 -0.338 -1.654 1.00 4.33 H new ATOM 0 HA GLU A 38 8.608 1.280 -1.200 1.00 31.04 H new ATOM 0 HB2 GLU A 38 8.984 -0.253 -3.267 1.00 64.54 H new ATOM 0 HB3 GLU A 38 7.750 0.716 -4.049 1.00 64.54 H new ATOM 0 HG2 GLU A 38 9.196 2.379 -4.464 1.00 70.04 H new ATOM 0 HG3 GLU A 38 9.706 2.447 -2.788 1.00 70.04 H new ATOM 572 N ALA A 39 7.265 3.328 -1.819 1.00 71.21 N ATOM 573 CA ALA A 39 6.384 4.487 -1.906 1.00 25.54 C ATOM 574 C ALA A 39 6.838 5.439 -3.006 1.00 11.52 C ATOM 575 O ALA A 39 8.028 5.721 -3.145 1.00 3.44 O ATOM 576 CB ALA A 39 6.330 5.209 -0.568 1.00 41.33 C ATOM 0 H ALA A 39 8.231 3.550 -1.577 1.00 71.21 H new ATOM 0 HA ALA A 39 5.383 4.135 -2.157 1.00 25.54 H new ATOM 0 HB1 ALA A 39 5.669 6.072 -0.647 1.00 41.33 H new ATOM 0 HB2 ALA A 39 5.951 4.531 0.197 1.00 41.33 H new ATOM 0 HB3 ALA A 39 7.331 5.542 -0.294 1.00 41.33 H new ATOM 582 N ILE A 40 5.882 5.933 -3.786 1.00 73.44 N ATOM 583 CA ILE A 40 6.184 6.855 -4.873 1.00 53.43 C ATOM 584 C ILE A 40 5.085 7.901 -5.028 1.00 1.54 C ATOM 585 O ILE A 40 4.118 7.917 -4.268 1.00 14.22 O ATOM 586 CB ILE A 40 6.359 6.111 -6.210 1.00 62.14 C ATOM 587 CG1 ILE A 40 5.146 5.220 -6.487 1.00 15.25 C ATOM 588 CG2 ILE A 40 7.636 5.285 -6.193 1.00 32.30 C ATOM 589 CD1 ILE A 40 4.425 5.563 -7.771 1.00 72.10 C ATOM 0 H ILE A 40 4.892 5.710 -3.685 1.00 73.44 H new ATOM 0 HA ILE A 40 7.121 7.350 -4.616 1.00 53.43 H new ATOM 0 HB ILE A 40 6.435 6.847 -7.010 1.00 62.14 H new ATOM 0 HG12 ILE A 40 5.471 4.180 -6.529 1.00 15.25 H new ATOM 0 HG13 ILE A 40 4.447 5.302 -5.654 1.00 15.25 H new ATOM 0 HG21 ILE A 40 7.746 4.765 -7.145 1.00 32.30 H new ATOM 0 HG22 ILE A 40 8.492 5.942 -6.037 1.00 32.30 H new ATOM 0 HG23 ILE A 40 7.587 4.555 -5.385 1.00 32.30 H new ATOM 0 HD11 ILE A 40 3.577 4.891 -7.903 1.00 72.10 H new ATOM 0 HD12 ILE A 40 4.069 6.592 -7.725 1.00 72.10 H new ATOM 0 HD13 ILE A 40 5.109 5.453 -8.613 1.00 72.10 H new ATOM 601 N ALA A 41 5.242 8.775 -6.018 1.00 60.31 N ATOM 602 CA ALA A 41 4.262 9.822 -6.275 1.00 55.30 C ATOM 603 C ALA A 41 3.073 9.281 -7.062 1.00 42.40 C ATOM 604 O ALA A 41 2.989 8.083 -7.330 1.00 31.32 O ATOM 605 CB ALA A 41 4.909 10.979 -7.022 1.00 21.41 C ATOM 0 H ALA A 41 6.039 8.778 -6.655 1.00 60.31 H new ATOM 0 HA ALA A 41 3.894 10.184 -5.315 1.00 55.30 H new ATOM 0 HB1 ALA A 41 4.165 11.754 -7.207 1.00 21.41 H new ATOM 0 HB2 ALA A 41 5.720 11.391 -6.422 1.00 21.41 H new ATOM 0 HB3 ALA A 41 5.306 10.622 -7.973 1.00 21.41 H new ATOM 611 N GLU A 42 2.157 10.172 -7.429 1.00 1.41 N ATOM 612 CA GLU A 42 0.973 9.782 -8.184 1.00 54.00 C ATOM 613 C GLU A 42 1.228 9.878 -9.685 1.00 13.41 C ATOM 614 O GLU A 42 0.337 9.623 -10.496 1.00 60.25 O ATOM 615 CB GLU A 42 -0.218 10.664 -7.801 1.00 32.35 C ATOM 616 CG GLU A 42 -0.053 12.119 -8.206 1.00 62.52 C ATOM 617 CD GLU A 42 -1.010 12.529 -9.308 1.00 74.53 C ATOM 618 OE1 GLU A 42 -2.214 12.218 -9.193 1.00 53.34 O ATOM 619 OE2 GLU A 42 -0.556 13.160 -10.286 1.00 64.33 O ATOM 0 H GLU A 42 2.213 11.168 -7.216 1.00 1.41 H new ATOM 0 HA GLU A 42 0.743 8.746 -7.937 1.00 54.00 H new ATOM 0 HB2 GLU A 42 -1.119 10.266 -8.267 1.00 32.35 H new ATOM 0 HB3 GLU A 42 -0.367 10.610 -6.723 1.00 32.35 H new ATOM 0 HG2 GLU A 42 -0.213 12.755 -7.335 1.00 62.52 H new ATOM 0 HG3 GLU A 42 0.971 12.286 -8.539 1.00 62.52 H new ATOM 626 N THR A 43 2.452 10.250 -10.048 1.00 72.21 N ATOM 627 CA THR A 43 2.825 10.381 -11.451 1.00 44.30 C ATOM 628 C THR A 43 3.219 9.034 -12.044 1.00 23.42 C ATOM 629 O THR A 43 2.760 8.663 -13.124 1.00 65.32 O ATOM 630 CB THR A 43 3.993 11.370 -11.631 1.00 34.23 C ATOM 631 OG1 THR A 43 5.193 10.816 -11.079 1.00 12.43 O ATOM 632 CG2 THR A 43 3.686 12.699 -10.958 1.00 15.45 C ATOM 0 H THR A 43 3.201 10.466 -9.390 1.00 72.21 H new ATOM 0 HA THR A 43 1.950 10.763 -11.976 1.00 44.30 H new ATOM 0 HB THR A 43 4.131 11.545 -12.698 1.00 34.23 H new ATOM 0 HG1 THR A 43 5.931 11.450 -11.199 1.00 12.43 H new ATOM 0 HG21 THR A 43 4.525 13.380 -11.099 1.00 15.45 H new ATOM 0 HG22 THR A 43 2.789 13.132 -11.400 1.00 15.45 H new ATOM 0 HG23 THR A 43 3.524 12.538 -9.892 1.00 15.45 H new ATOM 640 N ARG A 44 4.072 8.305 -11.331 1.00 2.40 N ATOM 641 CA ARG A 44 4.528 6.999 -11.789 1.00 24.11 C ATOM 642 C ARG A 44 3.732 5.881 -11.122 1.00 22.55 C ATOM 643 O ARG A 44 4.152 4.723 -11.116 1.00 20.54 O ATOM 644 CB ARG A 44 6.019 6.823 -11.493 1.00 1.41 C ATOM 645 CG ARG A 44 6.906 7.822 -12.218 1.00 73.31 C ATOM 646 CD ARG A 44 8.119 8.199 -11.383 1.00 43.13 C ATOM 647 NE ARG A 44 8.510 9.591 -11.582 1.00 42.34 N ATOM 648 CZ ARG A 44 9.173 10.024 -12.649 1.00 3.32 C ATOM 649 NH1 ARG A 44 9.518 9.177 -13.608 1.00 24.33 N ATOM 650 NH2 ARG A 44 9.492 11.308 -12.758 1.00 22.43 N ATOM 0 H ARG A 44 4.461 8.597 -10.434 1.00 2.40 H new ATOM 0 HA ARG A 44 4.369 6.944 -12.866 1.00 24.11 H new ATOM 0 HB2 ARG A 44 6.181 6.918 -10.419 1.00 1.41 H new ATOM 0 HB3 ARG A 44 6.320 5.813 -11.773 1.00 1.41 H new ATOM 0 HG2 ARG A 44 7.234 7.397 -13.167 1.00 73.31 H new ATOM 0 HG3 ARG A 44 6.331 8.718 -12.452 1.00 73.31 H new ATOM 0 HD2 ARG A 44 7.899 8.032 -10.329 1.00 43.13 H new ATOM 0 HD3 ARG A 44 8.954 7.548 -11.642 1.00 43.13 H new ATOM 0 HE ARG A 44 8.260 10.269 -10.862 1.00 42.34 H new ATOM 0 HH11 ARG A 44 9.275 8.190 -13.528 1.00 24.33 H new ATOM 0 HH12 ARG A 44 10.027 9.512 -14.426 1.00 24.33 H new ATOM 0 HH21 ARG A 44 9.228 11.963 -12.022 1.00 22.43 H new ATOM 0 HH22 ARG A 44 10.001 11.639 -13.578 1.00 22.43 H new ATOM 664 N LEU A 45 2.582 6.235 -10.561 1.00 54.32 N ATOM 665 CA LEU A 45 1.725 5.262 -9.891 1.00 11.23 C ATOM 666 C LEU A 45 1.096 4.305 -10.898 1.00 13.02 C ATOM 667 O LEU A 45 0.927 3.118 -10.620 1.00 31.13 O ATOM 668 CB LEU A 45 0.631 5.978 -9.097 1.00 72.15 C ATOM 669 CG LEU A 45 -0.550 5.114 -8.653 1.00 3.44 C ATOM 670 CD1 LEU A 45 -0.084 4.023 -7.700 1.00 14.41 C ATOM 671 CD2 LEU A 45 -1.623 5.973 -7.999 1.00 73.03 C ATOM 0 H LEU A 45 2.220 7.189 -10.556 1.00 54.32 H new ATOM 0 HA LEU A 45 2.343 4.682 -9.205 1.00 11.23 H new ATOM 0 HB2 LEU A 45 1.084 6.422 -8.211 1.00 72.15 H new ATOM 0 HB3 LEU A 45 0.248 6.798 -9.703 1.00 72.15 H new ATOM 0 HG LEU A 45 -0.980 4.639 -9.535 1.00 3.44 H new ATOM 0 HD11 LEU A 45 -0.938 3.418 -7.394 1.00 14.41 H new ATOM 0 HD12 LEU A 45 0.648 3.390 -8.201 1.00 14.41 H new ATOM 0 HD13 LEU A 45 0.371 4.478 -6.821 1.00 14.41 H new ATOM 0 HD21 LEU A 45 -2.456 5.342 -7.689 1.00 73.03 H new ATOM 0 HD22 LEU A 45 -1.205 6.476 -7.127 1.00 73.03 H new ATOM 0 HD23 LEU A 45 -1.978 6.717 -8.712 1.00 73.03 H new ATOM 683 N SER A 46 0.753 4.829 -12.070 1.00 44.23 N ATOM 684 CA SER A 46 0.141 4.022 -13.119 1.00 31.23 C ATOM 685 C SER A 46 1.187 3.164 -13.824 1.00 51.24 C ATOM 686 O SER A 46 0.863 2.140 -14.424 1.00 71.23 O ATOM 687 CB SER A 46 -0.568 4.920 -14.135 1.00 1.10 C ATOM 688 OG SER A 46 -1.201 6.014 -13.494 1.00 42.21 O ATOM 0 H SER A 46 0.889 5.809 -12.317 1.00 44.23 H new ATOM 0 HA SER A 46 -0.592 3.362 -12.655 1.00 31.23 H new ATOM 0 HB2 SER A 46 0.153 5.289 -14.864 1.00 1.10 H new ATOM 0 HB3 SER A 46 -1.308 4.339 -14.685 1.00 1.10 H new ATOM 0 HG SER A 46 -1.645 6.574 -14.165 1.00 42.21 H new ATOM 694 N GLU A 47 2.444 3.591 -13.747 1.00 51.22 N ATOM 695 CA GLU A 47 3.538 2.863 -14.379 1.00 4.02 C ATOM 696 C GLU A 47 4.071 1.772 -13.454 1.00 61.24 C ATOM 697 O GLU A 47 4.632 0.776 -13.910 1.00 64.31 O ATOM 698 CB GLU A 47 4.668 3.823 -14.757 1.00 14.43 C ATOM 699 CG GLU A 47 4.650 4.239 -16.218 1.00 74.01 C ATOM 700 CD GLU A 47 6.034 4.545 -16.755 1.00 4.30 C ATOM 701 OE1 GLU A 47 6.832 3.598 -16.912 1.00 31.02 O ATOM 702 OE2 GLU A 47 6.320 5.733 -17.017 1.00 24.53 O ATOM 0 H GLU A 47 2.729 4.437 -13.254 1.00 51.22 H new ATOM 0 HA GLU A 47 3.153 2.393 -15.284 1.00 4.02 H new ATOM 0 HB2 GLU A 47 4.600 4.714 -14.133 1.00 14.43 H new ATOM 0 HB3 GLU A 47 5.625 3.350 -14.534 1.00 14.43 H new ATOM 0 HG2 GLU A 47 4.201 3.443 -16.813 1.00 74.01 H new ATOM 0 HG3 GLU A 47 4.017 5.119 -16.333 1.00 74.01 H new ATOM 709 N VAL A 48 3.890 1.969 -12.152 1.00 21.42 N ATOM 710 CA VAL A 48 4.352 1.002 -11.162 1.00 21.01 C ATOM 711 C VAL A 48 3.251 0.008 -10.811 1.00 22.55 C ATOM 712 O VAL A 48 3.523 -1.155 -10.512 1.00 31.54 O ATOM 713 CB VAL A 48 4.828 1.702 -9.874 1.00 75.41 C ATOM 714 CG1 VAL A 48 5.965 2.663 -10.178 1.00 44.03 C ATOM 715 CG2 VAL A 48 3.670 2.426 -9.204 1.00 24.30 C ATOM 0 H VAL A 48 3.427 2.788 -11.758 1.00 21.42 H new ATOM 0 HA VAL A 48 5.191 0.468 -11.607 1.00 21.01 H new ATOM 0 HB VAL A 48 5.201 0.944 -9.185 1.00 75.41 H new ATOM 0 HG11 VAL A 48 6.288 3.148 -9.257 1.00 44.03 H new ATOM 0 HG12 VAL A 48 6.801 2.113 -10.611 1.00 44.03 H new ATOM 0 HG13 VAL A 48 5.623 3.419 -10.885 1.00 44.03 H new ATOM 0 HG21 VAL A 48 4.023 2.915 -8.296 1.00 24.30 H new ATOM 0 HG22 VAL A 48 3.266 3.174 -9.885 1.00 24.30 H new ATOM 0 HG23 VAL A 48 2.890 1.708 -8.950 1.00 24.30 H new ATOM 725 N VAL A 49 2.007 0.472 -10.848 1.00 14.32 N ATOM 726 CA VAL A 49 0.864 -0.377 -10.535 1.00 43.14 C ATOM 727 C VAL A 49 0.756 -1.538 -11.517 1.00 42.05 C ATOM 728 O VAL A 49 0.198 -2.588 -11.196 1.00 3.41 O ATOM 729 CB VAL A 49 -0.452 0.423 -10.557 1.00 71.54 C ATOM 730 CG1 VAL A 49 -0.780 0.874 -11.973 1.00 33.53 C ATOM 731 CG2 VAL A 49 -1.588 -0.405 -9.976 1.00 0.23 C ATOM 0 H VAL A 49 1.764 1.432 -11.092 1.00 14.32 H new ATOM 0 HA VAL A 49 1.026 -0.768 -9.531 1.00 43.14 H new ATOM 0 HB VAL A 49 -0.327 1.312 -9.938 1.00 71.54 H new ATOM 0 HG11 VAL A 49 -1.713 1.438 -11.968 1.00 33.53 H new ATOM 0 HG12 VAL A 49 0.024 1.507 -12.349 1.00 33.53 H new ATOM 0 HG13 VAL A 49 -0.886 0.001 -12.617 1.00 33.53 H new ATOM 0 HG21 VAL A 49 -2.510 0.176 -9.999 1.00 0.23 H new ATOM 0 HG22 VAL A 49 -1.716 -1.313 -10.566 1.00 0.23 H new ATOM 0 HG23 VAL A 49 -1.353 -0.672 -8.946 1.00 0.23 H new ATOM 741 N ASP A 50 1.295 -1.344 -12.716 1.00 40.52 N ATOM 742 CA ASP A 50 1.261 -2.374 -13.746 1.00 64.45 C ATOM 743 C ASP A 50 2.084 -3.589 -13.326 1.00 4.41 C ATOM 744 O ASP A 50 1.829 -4.708 -13.771 1.00 12.22 O ATOM 745 CB ASP A 50 1.788 -1.820 -15.071 1.00 71.13 C ATOM 746 CG ASP A 50 0.980 -2.299 -16.261 1.00 21.43 C ATOM 747 OD1 ASP A 50 -0.222 -1.969 -16.334 1.00 12.24 O ATOM 748 OD2 ASP A 50 1.550 -3.004 -17.120 1.00 42.43 O ATOM 0 H ASP A 50 1.761 -0.482 -12.998 1.00 40.52 H new ATOM 0 HA ASP A 50 0.225 -2.686 -13.878 1.00 64.45 H new ATOM 0 HB2 ASP A 50 1.771 -0.731 -15.039 1.00 71.13 H new ATOM 0 HB3 ASP A 50 2.829 -2.119 -15.198 1.00 71.13 H new ATOM 753 N ARG A 51 3.073 -3.359 -12.468 1.00 14.11 N ATOM 754 CA ARG A 51 3.935 -4.434 -11.990 1.00 33.21 C ATOM 755 C ARG A 51 3.580 -4.818 -10.557 1.00 33.04 C ATOM 756 O ARG A 51 3.485 -6.000 -10.225 1.00 10.13 O ATOM 757 CB ARG A 51 5.403 -4.012 -12.068 1.00 55.13 C ATOM 758 CG ARG A 51 5.867 -3.681 -13.477 1.00 23.21 C ATOM 759 CD ARG A 51 6.885 -4.694 -13.979 1.00 63.22 C ATOM 760 NE ARG A 51 8.249 -4.332 -13.604 1.00 65.34 N ATOM 761 CZ ARG A 51 8.909 -3.308 -14.133 1.00 3.54 C ATOM 762 NH1 ARG A 51 8.333 -2.547 -15.054 1.00 31.11 N ATOM 763 NH2 ARG A 51 10.148 -3.041 -13.739 1.00 24.41 N ATOM 0 H ARG A 51 3.297 -2.439 -12.090 1.00 14.11 H new ATOM 0 HA ARG A 51 3.780 -5.303 -12.630 1.00 33.21 H new ATOM 0 HB2 ARG A 51 5.557 -3.142 -11.430 1.00 55.13 H new ATOM 0 HB3 ARG A 51 6.024 -4.814 -11.669 1.00 55.13 H new ATOM 0 HG2 ARG A 51 5.009 -3.662 -14.149 1.00 23.21 H new ATOM 0 HG3 ARG A 51 6.306 -2.684 -13.492 1.00 23.21 H new ATOM 0 HD2 ARG A 51 6.647 -5.678 -13.575 1.00 63.22 H new ATOM 0 HD3 ARG A 51 6.816 -4.770 -15.064 1.00 63.22 H new ATOM 0 HE ARG A 51 8.721 -4.896 -12.897 1.00 65.34 H new ATOM 0 HH11 ARG A 51 7.380 -2.747 -15.358 1.00 31.11 H new ATOM 0 HH12 ARG A 51 8.843 -1.761 -15.458 1.00 31.11 H new ATOM 0 HH21 ARG A 51 10.594 -3.622 -13.029 1.00 24.41 H new ATOM 0 HH22 ARG A 51 10.654 -2.254 -14.146 1.00 24.41 H new ATOM 777 N PHE A 52 3.386 -3.811 -9.711 1.00 32.35 N ATOM 778 CA PHE A 52 3.043 -4.044 -8.312 1.00 43.34 C ATOM 779 C PHE A 52 1.820 -4.947 -8.195 1.00 71.11 C ATOM 780 O PHE A 52 1.146 -5.231 -9.186 1.00 41.34 O ATOM 781 CB PHE A 52 2.779 -2.714 -7.602 1.00 21.30 C ATOM 782 CG PHE A 52 4.015 -2.091 -7.019 1.00 25.43 C ATOM 783 CD1 PHE A 52 4.721 -2.732 -6.013 1.00 11.10 C ATOM 784 CD2 PHE A 52 4.470 -0.865 -7.475 1.00 45.21 C ATOM 785 CE1 PHE A 52 5.858 -2.160 -5.474 1.00 72.40 C ATOM 786 CE2 PHE A 52 5.607 -0.289 -6.939 1.00 44.43 C ATOM 787 CZ PHE A 52 6.302 -0.938 -5.939 1.00 24.05 C ATOM 0 H PHE A 52 3.460 -2.827 -9.969 1.00 32.35 H new ATOM 0 HA PHE A 52 3.887 -4.542 -7.835 1.00 43.34 H new ATOM 0 HB2 PHE A 52 2.329 -2.017 -8.309 1.00 21.30 H new ATOM 0 HB3 PHE A 52 2.052 -2.874 -6.806 1.00 21.30 H new ATOM 0 HD1 PHE A 52 4.379 -3.689 -5.646 1.00 11.10 H new ATOM 0 HD2 PHE A 52 3.931 -0.353 -8.258 1.00 45.21 H new ATOM 0 HE1 PHE A 52 6.399 -2.669 -4.690 1.00 72.40 H new ATOM 0 HE2 PHE A 52 5.951 0.668 -7.303 1.00 44.43 H new ATOM 0 HZ PHE A 52 7.192 -0.491 -5.521 1.00 24.05 H new ATOM 797 N ASP A 53 1.538 -5.396 -6.977 1.00 25.14 N ATOM 798 CA ASP A 53 0.395 -6.267 -6.728 1.00 63.34 C ATOM 799 C ASP A 53 -0.686 -5.534 -5.941 1.00 62.43 C ATOM 800 O ASP A 53 -1.836 -5.453 -6.373 1.00 23.43 O ATOM 801 CB ASP A 53 0.837 -7.519 -5.968 1.00 31.30 C ATOM 802 CG ASP A 53 1.667 -8.455 -6.824 1.00 45.32 C ATOM 803 OD1 ASP A 53 1.575 -8.360 -8.067 1.00 11.44 O ATOM 804 OD2 ASP A 53 2.408 -9.282 -6.253 1.00 62.54 O ATOM 0 H ASP A 53 2.085 -5.171 -6.146 1.00 25.14 H new ATOM 0 HA ASP A 53 -0.021 -6.564 -7.691 1.00 63.34 H new ATOM 0 HB2 ASP A 53 1.415 -7.223 -5.093 1.00 31.30 H new ATOM 0 HB3 ASP A 53 -0.043 -8.049 -5.604 1.00 31.30 H new ATOM 809 N VAL A 54 -0.310 -5.002 -4.783 1.00 23.14 N ATOM 810 CA VAL A 54 -1.247 -4.275 -3.934 1.00 44.44 C ATOM 811 C VAL A 54 -0.941 -2.782 -3.932 1.00 42.40 C ATOM 812 O VAL A 54 0.219 -2.373 -3.994 1.00 63.44 O ATOM 813 CB VAL A 54 -1.214 -4.797 -2.486 1.00 53.14 C ATOM 814 CG1 VAL A 54 -2.329 -4.166 -1.665 1.00 44.51 C ATOM 815 CG2 VAL A 54 -1.319 -6.314 -2.465 1.00 1.23 C ATOM 0 H VAL A 54 0.638 -5.061 -4.411 1.00 23.14 H new ATOM 0 HA VAL A 54 -2.242 -4.439 -4.348 1.00 44.44 H new ATOM 0 HB VAL A 54 -0.261 -4.515 -2.038 1.00 53.14 H new ATOM 0 HG11 VAL A 54 -2.290 -4.547 -0.645 1.00 44.51 H new ATOM 0 HG12 VAL A 54 -2.204 -3.083 -1.653 1.00 44.51 H new ATOM 0 HG13 VAL A 54 -3.293 -4.415 -2.108 1.00 44.51 H new ATOM 0 HG21 VAL A 54 -1.294 -6.666 -1.434 1.00 1.23 H new ATOM 0 HG22 VAL A 54 -2.256 -6.620 -2.931 1.00 1.23 H new ATOM 0 HG23 VAL A 54 -0.482 -6.744 -3.016 1.00 1.23 H new ATOM 825 N VAL A 55 -1.990 -1.968 -3.860 1.00 42.31 N ATOM 826 CA VAL A 55 -1.835 -0.519 -3.847 1.00 42.43 C ATOM 827 C VAL A 55 -2.433 0.088 -2.583 1.00 20.25 C ATOM 828 O VAL A 55 -3.453 -0.383 -2.078 1.00 60.22 O ATOM 829 CB VAL A 55 -2.499 0.128 -5.078 1.00 20.35 C ATOM 830 CG1 VAL A 55 -2.354 1.641 -5.028 1.00 54.15 C ATOM 831 CG2 VAL A 55 -1.902 -0.432 -6.360 1.00 23.04 C ATOM 0 H VAL A 55 -2.957 -2.289 -3.810 1.00 42.31 H new ATOM 0 HA VAL A 55 -0.764 -0.316 -3.872 1.00 42.43 H new ATOM 0 HB VAL A 55 -3.562 -0.111 -5.065 1.00 20.35 H new ATOM 0 HG11 VAL A 55 -2.829 2.081 -5.905 1.00 54.15 H new ATOM 0 HG12 VAL A 55 -2.833 2.023 -4.126 1.00 54.15 H new ATOM 0 HG13 VAL A 55 -1.297 1.905 -5.017 1.00 54.15 H new ATOM 0 HG21 VAL A 55 -2.382 0.036 -7.220 1.00 23.04 H new ATOM 0 HG22 VAL A 55 -0.832 -0.224 -6.384 1.00 23.04 H new ATOM 0 HG23 VAL A 55 -2.063 -1.509 -6.396 1.00 23.04 H new ATOM 841 N LEU A 56 -1.793 1.135 -2.075 1.00 64.32 N ATOM 842 CA LEU A 56 -2.262 1.808 -0.869 1.00 53.31 C ATOM 843 C LEU A 56 -2.338 3.317 -1.081 1.00 30.41 C ATOM 844 O LEU A 56 -1.498 3.901 -1.767 1.00 51.24 O ATOM 845 CB LEU A 56 -1.336 1.492 0.308 1.00 41.34 C ATOM 846 CG LEU A 56 -1.616 0.185 1.049 1.00 4.41 C ATOM 847 CD1 LEU A 56 -0.405 -0.734 0.985 1.00 52.20 C ATOM 848 CD2 LEU A 56 -1.999 0.464 2.495 1.00 12.24 C ATOM 0 H LEU A 56 -0.947 1.537 -2.480 1.00 64.32 H new ATOM 0 HA LEU A 56 -3.263 1.441 -0.644 1.00 53.31 H new ATOM 0 HB2 LEU A 56 -0.310 1.466 -0.060 1.00 41.34 H new ATOM 0 HB3 LEU A 56 -1.397 2.312 1.023 1.00 41.34 H new ATOM 0 HG LEU A 56 -2.453 -0.315 0.562 1.00 4.41 H new ATOM 0 HD11 LEU A 56 -0.622 -1.660 1.518 1.00 52.20 H new ATOM 0 HD12 LEU A 56 -0.174 -0.960 -0.056 1.00 52.20 H new ATOM 0 HD13 LEU A 56 0.450 -0.241 1.447 1.00 52.20 H new ATOM 0 HD21 LEU A 56 -2.195 -0.478 3.008 1.00 12.24 H new ATOM 0 HD22 LEU A 56 -1.182 0.986 2.994 1.00 12.24 H new ATOM 0 HD23 LEU A 56 -2.895 1.084 2.521 1.00 12.24 H new ATOM 860 N LEU A 57 -3.348 3.942 -0.487 1.00 30.14 N ATOM 861 CA LEU A 57 -3.532 5.384 -0.608 1.00 0.11 C ATOM 862 C LEU A 57 -3.532 6.051 0.764 1.00 31.41 C ATOM 863 O LEU A 57 -4.333 5.705 1.632 1.00 10.50 O ATOM 864 CB LEU A 57 -4.841 5.691 -1.337 1.00 11.31 C ATOM 865 CG LEU A 57 -5.294 7.152 -1.319 1.00 44.12 C ATOM 866 CD1 LEU A 57 -4.376 8.005 -2.182 1.00 34.11 C ATOM 867 CD2 LEU A 57 -6.735 7.270 -1.791 1.00 52.12 C ATOM 0 H LEU A 57 -4.052 3.473 0.083 1.00 30.14 H new ATOM 0 HA LEU A 57 -2.699 5.784 -1.185 1.00 0.11 H new ATOM 0 HB2 LEU A 57 -4.737 5.377 -2.376 1.00 11.31 H new ATOM 0 HB3 LEU A 57 -5.630 5.082 -0.897 1.00 11.31 H new ATOM 0 HG LEU A 57 -5.239 7.517 -0.294 1.00 44.12 H new ATOM 0 HD11 LEU A 57 -4.713 9.041 -2.158 1.00 34.11 H new ATOM 0 HD12 LEU A 57 -3.357 7.946 -1.799 1.00 34.11 H new ATOM 0 HD13 LEU A 57 -4.399 7.640 -3.209 1.00 34.11 H new ATOM 0 HD21 LEU A 57 -7.040 8.316 -1.771 1.00 52.12 H new ATOM 0 HD22 LEU A 57 -6.817 6.887 -2.808 1.00 52.12 H new ATOM 0 HD23 LEU A 57 -7.382 6.691 -1.132 1.00 52.12 H new ATOM 879 N ALA A 58 -2.631 7.009 0.951 1.00 20.53 N ATOM 880 CA ALA A 58 -2.530 7.726 2.216 1.00 42.33 C ATOM 881 C ALA A 58 -3.579 8.830 2.306 1.00 44.52 C ATOM 882 O ALA A 58 -4.130 9.278 1.301 1.00 75.42 O ATOM 883 CB ALA A 58 -1.134 8.307 2.383 1.00 42.32 C ATOM 0 H ALA A 58 -1.960 7.307 0.243 1.00 20.53 H new ATOM 0 HA ALA A 58 -2.716 7.017 3.023 1.00 42.33 H new ATOM 0 HB1 ALA A 58 -1.073 8.840 3.332 1.00 42.32 H new ATOM 0 HB2 ALA A 58 -0.401 7.501 2.372 1.00 42.32 H new ATOM 0 HB3 ALA A 58 -0.927 8.997 1.565 1.00 42.32 H new ATOM 889 N PRO A 59 -3.861 9.280 3.537 1.00 41.23 N ATOM 890 CA PRO A 59 -4.845 10.337 3.787 1.00 50.35 C ATOM 891 C PRO A 59 -4.371 11.700 3.291 1.00 34.12 C ATOM 892 O PRO A 59 -3.921 12.533 4.077 1.00 64.34 O ATOM 893 CB PRO A 59 -4.982 10.341 5.312 1.00 43.22 C ATOM 894 CG PRO A 59 -3.690 9.793 5.809 1.00 10.15 C ATOM 895 CD PRO A 59 -3.240 8.793 4.781 1.00 51.35 C ATOM 0 HA PRO A 59 -5.782 10.154 3.262 1.00 50.35 H new ATOM 0 HB2 PRO A 59 -5.157 11.348 5.691 1.00 43.22 H new ATOM 0 HB3 PRO A 59 -5.823 9.728 5.636 1.00 43.22 H new ATOM 0 HG2 PRO A 59 -2.952 10.585 5.932 1.00 10.15 H new ATOM 0 HG3 PRO A 59 -3.816 9.321 6.783 1.00 10.15 H new ATOM 0 HD2 PRO A 59 -2.153 8.760 4.701 1.00 51.35 H new ATOM 0 HD3 PRO A 59 -3.573 7.785 5.028 1.00 51.35 H new ATOM 903 N GLN A 60 -4.477 11.918 1.985 1.00 55.24 N ATOM 904 CA GLN A 60 -4.059 13.180 1.385 1.00 33.21 C ATOM 905 C GLN A 60 -4.455 13.241 -0.086 1.00 65.24 C ATOM 906 O GLN A 60 -3.645 12.956 -0.969 1.00 43.10 O ATOM 907 CB GLN A 60 -2.547 13.361 1.528 1.00 54.02 C ATOM 908 CG GLN A 60 -2.151 14.323 2.636 1.00 10.14 C ATOM 909 CD GLN A 60 -1.545 15.607 2.105 1.00 52.12 C ATOM 910 OE1 GLN A 60 -0.354 15.865 2.284 1.00 42.11 O ATOM 911 NE2 GLN A 60 -2.362 16.420 1.446 1.00 51.51 N ATOM 0 H GLN A 60 -4.848 11.238 1.322 1.00 55.24 H new ATOM 0 HA GLN A 60 -4.565 13.989 1.912 1.00 33.21 H new ATOM 0 HB2 GLN A 60 -2.090 12.390 1.721 1.00 54.02 H new ATOM 0 HB3 GLN A 60 -2.142 13.722 0.583 1.00 54.02 H new ATOM 0 HG2 GLN A 60 -3.029 14.561 3.236 1.00 10.14 H new ATOM 0 HG3 GLN A 60 -1.436 13.835 3.298 1.00 10.14 H new ATOM 0 HE21 GLN A 60 -3.342 16.167 1.321 1.00 51.51 H new ATOM 0 HE22 GLN A 60 -2.010 17.298 1.065 1.00 51.51 H new ATOM 920 N SER A 61 -5.704 13.614 -0.345 1.00 24.43 N ATOM 921 CA SER A 61 -6.207 13.707 -1.710 1.00 12.34 C ATOM 922 C SER A 61 -7.661 14.170 -1.722 1.00 71.03 C ATOM 923 O SER A 61 -8.523 13.560 -1.089 1.00 3.23 O ATOM 924 CB SER A 61 -6.084 12.355 -2.416 1.00 54.30 C ATOM 925 OG SER A 61 -6.172 11.287 -1.490 1.00 15.35 O ATOM 0 H SER A 61 -6.386 13.857 0.373 1.00 24.43 H new ATOM 0 HA SER A 61 -5.605 14.442 -2.243 1.00 12.34 H new ATOM 0 HB2 SER A 61 -6.872 12.258 -3.163 1.00 54.30 H new ATOM 0 HB3 SER A 61 -5.133 12.303 -2.946 1.00 54.30 H new ATOM 0 HG SER A 61 -6.412 10.463 -1.963 1.00 15.35 H new ATOM 931 N ARG A 62 -7.926 15.251 -2.448 1.00 43.04 N ATOM 932 CA ARG A 62 -9.274 15.797 -2.542 1.00 71.14 C ATOM 933 C ARG A 62 -10.068 15.097 -3.641 1.00 62.25 C ATOM 934 O ARG A 62 -11.231 14.740 -3.450 1.00 4.11 O ATOM 935 CB ARG A 62 -9.220 17.301 -2.817 1.00 51.44 C ATOM 936 CG ARG A 62 -8.902 18.134 -1.586 1.00 40.14 C ATOM 937 CD ARG A 62 -10.158 18.458 -0.793 1.00 33.23 C ATOM 938 NE ARG A 62 -9.963 18.270 0.642 1.00 1.12 N ATOM 939 CZ ARG A 62 -10.810 18.716 1.564 1.00 65.33 C ATOM 940 NH1 ARG A 62 -11.904 19.370 1.202 1.00 53.15 N ATOM 941 NH2 ARG A 62 -10.563 18.506 2.851 1.00 71.54 N ATOM 0 H ARG A 62 -7.224 15.766 -2.980 1.00 43.04 H new ATOM 0 HA ARG A 62 -9.776 15.626 -1.589 1.00 71.14 H new ATOM 0 HB2 ARG A 62 -8.467 17.495 -3.581 1.00 51.44 H new ATOM 0 HB3 ARG A 62 -10.179 17.622 -3.225 1.00 51.44 H new ATOM 0 HG2 ARG A 62 -8.199 17.594 -0.952 1.00 40.14 H new ATOM 0 HG3 ARG A 62 -8.412 19.060 -1.888 1.00 40.14 H new ATOM 0 HD2 ARG A 62 -10.453 19.489 -0.987 1.00 33.23 H new ATOM 0 HD3 ARG A 62 -10.976 17.823 -1.134 1.00 33.23 H new ATOM 0 HE ARG A 62 -9.131 17.769 0.954 1.00 1.12 H new ATOM 0 HH11 ARG A 62 -12.098 19.532 0.214 1.00 53.15 H new ATOM 0 HH12 ARG A 62 -12.552 19.711 1.912 1.00 53.15 H new ATOM 0 HH21 ARG A 62 -9.722 18.002 3.133 1.00 71.54 H new ATOM 0 HH22 ARG A 62 -11.214 18.849 3.558 1.00 71.54 H new ATOM 955 N PHE A 63 -9.432 14.904 -4.793 1.00 0.24 N ATOM 956 CA PHE A 63 -10.080 14.248 -5.923 1.00 3.43 C ATOM 957 C PHE A 63 -9.378 12.937 -6.265 1.00 61.33 C ATOM 958 O PHE A 63 -9.983 12.026 -6.828 1.00 71.31 O ATOM 959 CB PHE A 63 -10.082 15.172 -7.143 1.00 23.24 C ATOM 960 CG PHE A 63 -11.144 16.233 -7.089 1.00 10.03 C ATOM 961 CD1 PHE A 63 -12.486 15.890 -7.104 1.00 61.35 C ATOM 962 CD2 PHE A 63 -10.799 17.574 -7.023 1.00 72.53 C ATOM 963 CE1 PHE A 63 -13.466 16.864 -7.055 1.00 24.51 C ATOM 964 CE2 PHE A 63 -11.774 18.551 -6.973 1.00 12.41 C ATOM 965 CZ PHE A 63 -13.109 18.197 -6.990 1.00 70.31 C ATOM 0 H PHE A 63 -8.469 15.192 -4.968 1.00 0.24 H new ATOM 0 HA PHE A 63 -11.110 14.026 -5.642 1.00 3.43 H new ATOM 0 HB2 PHE A 63 -9.106 15.650 -7.229 1.00 23.24 H new ATOM 0 HB3 PHE A 63 -10.223 14.573 -8.042 1.00 23.24 H new ATOM 0 HD1 PHE A 63 -12.770 14.849 -7.155 1.00 61.35 H new ATOM 0 HD2 PHE A 63 -9.757 17.858 -7.011 1.00 72.53 H new ATOM 0 HE1 PHE A 63 -14.509 16.583 -7.068 1.00 24.51 H new ATOM 0 HE2 PHE A 63 -11.492 19.592 -6.921 1.00 12.41 H new ATOM 0 HZ PHE A 63 -13.872 18.960 -6.953 1.00 70.31 H new ATOM 975 N ASN A 64 -8.098 12.851 -5.920 1.00 20.50 N ATOM 976 CA ASN A 64 -7.313 11.652 -6.192 1.00 65.10 C ATOM 977 C ASN A 64 -8.019 10.407 -5.664 1.00 13.24 C ATOM 978 O ASN A 64 -8.091 9.383 -6.344 1.00 44.31 O ATOM 979 CB ASN A 64 -5.925 11.771 -5.557 1.00 54.43 C ATOM 980 CG ASN A 64 -4.812 11.723 -6.587 1.00 35.03 C ATOM 981 OD1 ASN A 64 -4.312 10.650 -6.926 1.00 52.33 O ATOM 982 ND2 ASN A 64 -4.421 12.888 -7.089 1.00 53.24 N ATOM 0 H ASN A 64 -7.582 13.596 -5.452 1.00 20.50 H new ATOM 0 HA ASN A 64 -7.205 11.557 -7.272 1.00 65.10 H new ATOM 0 HB2 ASN A 64 -5.862 12.706 -5.001 1.00 54.43 H new ATOM 0 HB3 ASN A 64 -5.787 10.963 -4.838 1.00 54.43 H new ATOM 0 HD21 ASN A 64 -3.677 12.919 -7.786 1.00 53.24 H new ATOM 0 HD22 ASN A 64 -4.865 13.752 -6.778 1.00 53.24 H new ATOM 989 N LYS A 65 -8.542 10.502 -4.446 1.00 22.25 N ATOM 990 CA LYS A 65 -9.246 9.386 -3.826 1.00 1.33 C ATOM 991 C LYS A 65 -10.470 8.991 -4.646 1.00 61.45 C ATOM 992 O LYS A 65 -10.727 7.807 -4.865 1.00 14.05 O ATOM 993 CB LYS A 65 -9.670 9.752 -2.402 1.00 31.24 C ATOM 994 CG LYS A 65 -10.497 11.024 -2.321 1.00 13.02 C ATOM 995 CD LYS A 65 -10.764 11.425 -0.880 1.00 51.33 C ATOM 996 CE LYS A 65 -11.827 12.510 -0.791 1.00 42.14 C ATOM 997 NZ LYS A 65 -12.181 12.825 0.620 1.00 75.51 N ATOM 0 H LYS A 65 -8.491 11.341 -3.868 1.00 22.25 H new ATOM 0 HA LYS A 65 -8.565 8.535 -3.789 1.00 1.33 H new ATOM 0 HB2 LYS A 65 -10.245 8.928 -1.980 1.00 31.24 H new ATOM 0 HB3 LYS A 65 -8.779 9.868 -1.785 1.00 31.24 H new ATOM 0 HG2 LYS A 65 -9.975 11.832 -2.834 1.00 13.02 H new ATOM 0 HG3 LYS A 65 -11.444 10.877 -2.840 1.00 13.02 H new ATOM 0 HD2 LYS A 65 -11.085 10.552 -0.312 1.00 51.33 H new ATOM 0 HD3 LYS A 65 -9.840 11.781 -0.423 1.00 51.33 H new ATOM 0 HE2 LYS A 65 -11.467 13.412 -1.285 1.00 42.14 H new ATOM 0 HE3 LYS A 65 -12.720 12.188 -1.326 1.00 42.14 H new ATOM 0 HZ1 LYS A 65 -12.908 13.568 0.638 1.00 75.51 H new ATOM 0 HZ2 LYS A 65 -12.548 11.970 1.085 1.00 75.51 H new ATOM 0 HZ3 LYS A 65 -11.334 13.157 1.125 1.00 75.51 H new ATOM 1011 N LYS A 66 -11.220 9.989 -5.100 1.00 10.43 N ATOM 1012 CA LYS A 66 -12.416 9.747 -5.899 1.00 3.32 C ATOM 1013 C LYS A 66 -12.070 8.994 -7.179 1.00 75.11 C ATOM 1014 O LYS A 66 -12.721 8.008 -7.525 1.00 51.31 O ATOM 1015 CB LYS A 66 -13.101 11.071 -6.242 1.00 41.12 C ATOM 1016 CG LYS A 66 -14.617 11.002 -6.192 1.00 54.24 C ATOM 1017 CD LYS A 66 -15.217 10.887 -7.585 1.00 3.54 C ATOM 1018 CE LYS A 66 -16.727 10.720 -7.529 1.00 54.41 C ATOM 1019 NZ LYS A 66 -17.427 11.711 -8.394 1.00 3.15 N ATOM 0 H LYS A 66 -11.021 10.974 -4.928 1.00 10.43 H new ATOM 0 HA LYS A 66 -13.099 9.134 -5.311 1.00 3.32 H new ATOM 0 HB2 LYS A 66 -12.758 11.839 -5.548 1.00 41.12 H new ATOM 0 HB3 LYS A 66 -12.793 11.382 -7.240 1.00 41.12 H new ATOM 0 HG2 LYS A 66 -14.923 10.146 -5.591 1.00 54.24 H new ATOM 0 HG3 LYS A 66 -15.007 11.893 -5.699 1.00 54.24 H new ATOM 0 HD2 LYS A 66 -14.970 11.777 -8.164 1.00 3.54 H new ATOM 0 HD3 LYS A 66 -14.775 10.036 -8.104 1.00 3.54 H new ATOM 0 HE2 LYS A 66 -16.993 9.711 -7.844 1.00 54.41 H new ATOM 0 HE3 LYS A 66 -17.067 10.832 -6.499 1.00 54.41 H new ATOM 0 HZ1 LYS A 66 -18.455 11.564 -8.328 1.00 3.15 H new ATOM 0 HZ2 LYS A 66 -17.194 12.674 -8.078 1.00 3.15 H new ATOM 0 HZ3 LYS A 66 -17.122 11.587 -9.381 1.00 3.15 H new ATOM 1033 N ARG A 67 -11.041 9.463 -7.877 1.00 31.22 N ATOM 1034 CA ARG A 67 -10.610 8.832 -9.119 1.00 11.23 C ATOM 1035 C ARG A 67 -10.047 7.439 -8.855 1.00 74.12 C ATOM 1036 O ARG A 67 -10.438 6.466 -9.503 1.00 14.43 O ATOM 1037 CB ARG A 67 -9.555 9.696 -9.814 1.00 73.23 C ATOM 1038 CG ARG A 67 -10.137 10.674 -10.822 1.00 23.24 C ATOM 1039 CD ARG A 67 -9.086 11.138 -11.818 1.00 75.45 C ATOM 1040 NE ARG A 67 -9.608 12.151 -12.732 1.00 52.03 N ATOM 1041 CZ ARG A 67 -8.838 12.916 -13.498 1.00 10.32 C ATOM 1042 NH1 ARG A 67 -7.519 12.783 -13.460 1.00 52.35 N ATOM 1043 NH2 ARG A 67 -9.388 13.817 -14.303 1.00 61.32 N ATOM 0 H ARG A 67 -10.491 10.277 -7.604 1.00 31.22 H new ATOM 0 HA ARG A 67 -11.479 8.736 -9.769 1.00 11.23 H new ATOM 0 HB2 ARG A 67 -8.999 10.253 -9.060 1.00 73.23 H new ATOM 0 HB3 ARG A 67 -8.842 9.046 -10.321 1.00 73.23 H new ATOM 0 HG2 ARG A 67 -10.962 10.201 -11.355 1.00 23.24 H new ATOM 0 HG3 ARG A 67 -10.549 11.536 -10.298 1.00 23.24 H new ATOM 0 HD2 ARG A 67 -8.229 11.543 -11.279 1.00 75.45 H new ATOM 0 HD3 ARG A 67 -8.727 10.283 -12.391 1.00 75.45 H new ATOM 0 HE ARG A 67 -10.619 12.278 -12.785 1.00 52.03 H new ATOM 0 HH11 ARG A 67 -7.094 12.092 -12.842 1.00 52.35 H new ATOM 0 HH12 ARG A 67 -6.930 13.372 -14.049 1.00 52.35 H new ATOM 0 HH21 ARG A 67 -10.402 13.922 -14.334 1.00 61.32 H new ATOM 0 HH22 ARG A 67 -8.796 14.404 -14.891 1.00 61.32 H new ATOM 1057 N LEU A 68 -9.128 7.348 -7.900 1.00 74.10 N ATOM 1058 CA LEU A 68 -8.512 6.073 -7.550 1.00 40.41 C ATOM 1059 C LEU A 68 -9.572 5.011 -7.278 1.00 54.43 C ATOM 1060 O LEU A 68 -9.461 3.877 -7.740 1.00 61.25 O ATOM 1061 CB LEU A 68 -7.614 6.239 -6.323 1.00 33.13 C ATOM 1062 CG LEU A 68 -6.168 6.652 -6.599 1.00 54.15 C ATOM 1063 CD1 LEU A 68 -5.586 7.393 -5.405 1.00 52.22 C ATOM 1064 CD2 LEU A 68 -5.321 5.434 -6.938 1.00 72.34 C ATOM 0 H LEU A 68 -8.793 8.142 -7.354 1.00 74.10 H new ATOM 0 HA LEU A 68 -7.907 5.746 -8.395 1.00 40.41 H new ATOM 0 HB2 LEU A 68 -8.064 6.984 -5.667 1.00 33.13 H new ATOM 0 HB3 LEU A 68 -7.603 5.296 -5.776 1.00 33.13 H new ATOM 0 HG LEU A 68 -6.160 7.325 -7.456 1.00 54.15 H new ATOM 0 HD11 LEU A 68 -4.556 7.679 -5.621 1.00 52.22 H new ATOM 0 HD12 LEU A 68 -6.177 8.287 -5.208 1.00 52.22 H new ATOM 0 HD13 LEU A 68 -5.607 6.745 -4.529 1.00 52.22 H new ATOM 0 HD21 LEU A 68 -4.295 5.747 -7.131 1.00 72.34 H new ATOM 0 HD22 LEU A 68 -5.336 4.736 -6.101 1.00 72.34 H new ATOM 0 HD23 LEU A 68 -5.725 4.945 -7.825 1.00 72.34 H new ATOM 1076 N GLU A 69 -10.603 5.390 -6.527 1.00 50.21 N ATOM 1077 CA GLU A 69 -11.684 4.470 -6.197 1.00 21.52 C ATOM 1078 C GLU A 69 -12.526 4.152 -7.429 1.00 51.45 C ATOM 1079 O GLU A 69 -12.896 3.002 -7.662 1.00 31.22 O ATOM 1080 CB GLU A 69 -12.571 5.063 -5.099 1.00 24.30 C ATOM 1081 CG GLU A 69 -11.829 5.343 -3.803 1.00 14.31 C ATOM 1082 CD GLU A 69 -12.177 4.355 -2.707 1.00 2.52 C ATOM 1083 OE1 GLU A 69 -13.279 4.471 -2.131 1.00 33.40 O ATOM 1084 OE2 GLU A 69 -11.346 3.466 -2.426 1.00 34.54 O ATOM 0 H GLU A 69 -10.711 6.326 -6.137 1.00 50.21 H new ATOM 0 HA GLU A 69 -11.239 3.543 -5.835 1.00 21.52 H new ATOM 0 HB2 GLU A 69 -13.013 5.991 -5.462 1.00 24.30 H new ATOM 0 HB3 GLU A 69 -13.393 4.376 -4.896 1.00 24.30 H new ATOM 0 HG2 GLU A 69 -10.755 5.311 -3.989 1.00 14.31 H new ATOM 0 HG3 GLU A 69 -12.064 6.352 -3.465 1.00 14.31 H new ATOM 1091 N GLU A 70 -12.824 5.182 -8.216 1.00 33.15 N ATOM 1092 CA GLU A 70 -13.623 5.013 -9.424 1.00 51.10 C ATOM 1093 C GLU A 70 -12.878 4.171 -10.455 1.00 64.55 C ATOM 1094 O GLU A 70 -13.485 3.601 -11.362 1.00 15.23 O ATOM 1095 CB GLU A 70 -13.977 6.376 -10.023 1.00 12.02 C ATOM 1096 CG GLU A 70 -15.029 7.134 -9.231 1.00 12.04 C ATOM 1097 CD GLU A 70 -16.424 6.577 -9.432 1.00 74.43 C ATOM 1098 OE1 GLU A 70 -17.101 7.005 -10.391 1.00 43.45 O ATOM 1099 OE2 GLU A 70 -16.841 5.714 -8.632 1.00 4.10 O ATOM 0 H GLU A 70 -12.524 6.141 -8.039 1.00 33.15 H new ATOM 0 HA GLU A 70 -14.542 4.494 -9.151 1.00 51.10 H new ATOM 0 HB2 GLU A 70 -13.073 6.982 -10.084 1.00 12.02 H new ATOM 0 HB3 GLU A 70 -14.335 6.234 -11.043 1.00 12.02 H new ATOM 0 HG2 GLU A 70 -14.777 7.098 -8.171 1.00 12.04 H new ATOM 0 HG3 GLU A 70 -15.015 8.183 -9.526 1.00 12.04 H new ATOM 1106 N ILE A 71 -11.559 4.097 -10.310 1.00 13.30 N ATOM 1107 CA ILE A 71 -10.731 3.325 -11.228 1.00 53.32 C ATOM 1108 C ILE A 71 -10.483 1.919 -10.693 1.00 34.53 C ATOM 1109 O ILE A 71 -10.505 0.943 -11.444 1.00 13.12 O ATOM 1110 CB ILE A 71 -9.377 4.013 -11.480 1.00 2.10 C ATOM 1111 CG1 ILE A 71 -9.591 5.404 -12.080 1.00 41.50 C ATOM 1112 CG2 ILE A 71 -8.514 3.162 -12.398 1.00 25.10 C ATOM 1113 CD1 ILE A 71 -8.487 6.382 -11.747 1.00 3.42 C ATOM 0 H ILE A 71 -11.041 4.563 -9.565 1.00 13.30 H new ATOM 0 HA ILE A 71 -11.277 3.262 -12.169 1.00 53.32 H new ATOM 0 HB ILE A 71 -8.860 4.125 -10.527 1.00 2.10 H new ATOM 0 HG12 ILE A 71 -9.672 5.315 -13.163 1.00 41.50 H new ATOM 0 HG13 ILE A 71 -10.540 5.803 -11.721 1.00 41.50 H new ATOM 0 HG21 ILE A 71 -7.560 3.662 -12.567 1.00 25.10 H new ATOM 0 HG22 ILE A 71 -8.338 2.191 -11.935 1.00 25.10 H new ATOM 0 HG23 ILE A 71 -9.024 3.023 -13.351 1.00 25.10 H new ATOM 0 HD11 ILE A 71 -8.705 7.347 -12.205 1.00 3.42 H new ATOM 0 HD12 ILE A 71 -8.420 6.501 -10.666 1.00 3.42 H new ATOM 0 HD13 ILE A 71 -7.539 6.005 -12.130 1.00 3.42 H new ATOM 1125 N THR A 72 -10.247 1.821 -9.388 1.00 21.12 N ATOM 1126 CA THR A 72 -9.995 0.535 -8.751 1.00 23.45 C ATOM 1127 C THR A 72 -11.241 -0.343 -8.771 1.00 53.33 C ATOM 1128 O THR A 72 -11.152 -1.563 -8.909 1.00 15.42 O ATOM 1129 CB THR A 72 -9.529 0.712 -7.293 1.00 34.22 C ATOM 1130 OG1 THR A 72 -10.461 1.529 -6.577 1.00 5.30 O ATOM 1131 CG2 THR A 72 -8.147 1.343 -7.240 1.00 25.21 C ATOM 0 H THR A 72 -10.225 2.618 -8.752 1.00 21.12 H new ATOM 0 HA THR A 72 -9.203 0.050 -9.322 1.00 23.45 H new ATOM 0 HB THR A 72 -9.479 -0.273 -6.828 1.00 34.22 H new ATOM 0 HG1 THR A 72 -11.131 1.883 -7.199 1.00 5.30 H new ATOM 0 HG21 THR A 72 -7.839 1.458 -6.201 1.00 25.21 H new ATOM 0 HG22 THR A 72 -7.435 0.703 -7.761 1.00 25.21 H new ATOM 0 HG23 THR A 72 -8.175 2.321 -7.721 1.00 25.21 H new ATOM 1139 N LYS A 73 -12.404 0.285 -8.634 1.00 42.40 N ATOM 1140 CA LYS A 73 -13.670 -0.437 -8.639 1.00 52.42 C ATOM 1141 C LYS A 73 -13.774 -1.347 -9.859 1.00 44.32 C ATOM 1142 O LYS A 73 -13.882 -2.567 -9.746 1.00 23.43 O ATOM 1143 CB LYS A 73 -14.843 0.547 -8.623 1.00 21.44 C ATOM 1144 CG LYS A 73 -15.565 0.610 -7.287 1.00 44.13 C ATOM 1145 CD LYS A 73 -16.711 -0.385 -7.226 1.00 1.04 C ATOM 1146 CE LYS A 73 -17.464 -0.286 -5.908 1.00 4.21 C ATOM 1147 NZ LYS A 73 -18.019 1.079 -5.687 1.00 32.30 N ATOM 0 H LYS A 73 -12.495 1.294 -8.518 1.00 42.40 H new ATOM 0 HA LYS A 73 -13.709 -1.055 -7.742 1.00 52.42 H new ATOM 0 HB2 LYS A 73 -14.476 1.542 -8.875 1.00 21.44 H new ATOM 0 HB3 LYS A 73 -15.555 0.264 -9.398 1.00 21.44 H new ATOM 0 HG2 LYS A 73 -14.860 0.405 -6.481 1.00 44.13 H new ATOM 0 HG3 LYS A 73 -15.948 1.618 -7.126 1.00 44.13 H new ATOM 0 HD2 LYS A 73 -17.397 -0.203 -8.053 1.00 1.04 H new ATOM 0 HD3 LYS A 73 -16.324 -1.396 -7.350 1.00 1.04 H new ATOM 0 HE2 LYS A 73 -18.275 -1.014 -5.898 1.00 4.21 H new ATOM 0 HE3 LYS A 73 -16.795 -0.543 -5.087 1.00 4.21 H new ATOM 0 HZ1 LYS A 73 -18.726 1.047 -4.925 1.00 32.30 H new ATOM 0 HZ2 LYS A 73 -17.251 1.727 -5.419 1.00 32.30 H new ATOM 0 HZ3 LYS A 73 -18.468 1.417 -6.562 1.00 32.30 H new ATOM 1161 N PRO A 74 -13.737 -0.740 -11.055 1.00 4.12 N ATOM 1162 CA PRO A 74 -13.822 -1.478 -12.319 1.00 15.44 C ATOM 1163 C PRO A 74 -12.573 -2.307 -12.592 1.00 62.32 C ATOM 1164 O PRO A 74 -12.653 -3.412 -13.130 1.00 21.04 O ATOM 1165 CB PRO A 74 -13.968 -0.370 -13.366 1.00 12.00 C ATOM 1166 CG PRO A 74 -13.343 0.828 -12.741 1.00 5.13 C ATOM 1167 CD PRO A 74 -13.609 0.711 -11.265 1.00 1.42 C ATOM 0 HA PRO A 74 -14.643 -2.195 -12.318 1.00 15.44 H new ATOM 0 HB2 PRO A 74 -13.468 -0.637 -14.297 1.00 12.00 H new ATOM 0 HB3 PRO A 74 -15.015 -0.189 -13.607 1.00 12.00 H new ATOM 0 HG2 PRO A 74 -12.272 0.860 -12.943 1.00 5.13 H new ATOM 0 HG3 PRO A 74 -13.771 1.746 -13.143 1.00 5.13 H new ATOM 0 HD2 PRO A 74 -12.795 1.132 -10.675 1.00 1.42 H new ATOM 0 HD3 PRO A 74 -14.517 1.240 -10.977 1.00 1.42 H new ATOM 1175 N LYS A 75 -11.417 -1.769 -12.217 1.00 41.34 N ATOM 1176 CA LYS A 75 -10.149 -2.459 -12.420 1.00 71.33 C ATOM 1177 C LYS A 75 -10.089 -3.739 -11.592 1.00 45.34 C ATOM 1178 O LYS A 75 -9.364 -4.674 -11.929 1.00 43.11 O ATOM 1179 CB LYS A 75 -8.981 -1.543 -12.050 1.00 40.11 C ATOM 1180 CG LYS A 75 -8.569 -0.600 -13.168 1.00 15.34 C ATOM 1181 CD LYS A 75 -7.203 0.010 -12.906 1.00 43.43 C ATOM 1182 CE LYS A 75 -6.115 -0.698 -13.699 1.00 33.12 C ATOM 1183 NZ LYS A 75 -5.741 0.057 -14.927 1.00 55.21 N ATOM 0 H LYS A 75 -11.333 -0.856 -11.770 1.00 41.34 H new ATOM 0 HA LYS A 75 -10.073 -2.725 -13.474 1.00 71.33 H new ATOM 0 HB2 LYS A 75 -9.254 -0.956 -11.173 1.00 40.11 H new ATOM 0 HB3 LYS A 75 -8.125 -2.156 -11.769 1.00 40.11 H new ATOM 0 HG2 LYS A 75 -8.552 -1.141 -14.114 1.00 15.34 H new ATOM 0 HG3 LYS A 75 -9.310 0.193 -13.268 1.00 15.34 H new ATOM 0 HD2 LYS A 75 -7.219 1.067 -13.171 1.00 43.43 H new ATOM 0 HD3 LYS A 75 -6.975 -0.048 -11.842 1.00 43.43 H new ATOM 0 HE2 LYS A 75 -5.234 -0.828 -13.070 1.00 33.12 H new ATOM 0 HE3 LYS A 75 -6.458 -1.695 -13.976 1.00 33.12 H new ATOM 0 HZ1 LYS A 75 -4.997 -0.459 -15.439 1.00 55.21 H new ATOM 0 HZ2 LYS A 75 -6.575 0.159 -15.539 1.00 55.21 H new ATOM 0 HZ3 LYS A 75 -5.389 0.999 -14.662 1.00 55.21 H new ATOM 1197 N GLY A 76 -10.855 -3.773 -10.506 1.00 20.23 N ATOM 1198 CA GLY A 76 -10.874 -4.943 -9.647 1.00 71.15 C ATOM 1199 C GLY A 76 -9.499 -5.293 -9.115 1.00 13.31 C ATOM 1200 O GLY A 76 -9.020 -6.412 -9.302 1.00 52.15 O ATOM 0 H GLY A 76 -11.463 -3.011 -10.205 1.00 20.23 H new ATOM 0 HA2 GLY A 76 -11.550 -4.765 -8.810 1.00 71.15 H new ATOM 0 HA3 GLY A 76 -11.272 -5.792 -10.203 1.00 71.15 H new ATOM 1204 N ILE A 77 -8.862 -4.335 -8.450 1.00 53.02 N ATOM 1205 CA ILE A 77 -7.534 -4.549 -7.889 1.00 41.23 C ATOM 1206 C ILE A 77 -7.523 -4.292 -6.386 1.00 74.21 C ATOM 1207 O ILE A 77 -8.339 -3.537 -5.854 1.00 43.12 O ATOM 1208 CB ILE A 77 -6.487 -3.641 -8.561 1.00 62.11 C ATOM 1209 CG1 ILE A 77 -6.952 -2.183 -8.535 1.00 31.11 C ATOM 1210 CG2 ILE A 77 -6.229 -4.095 -9.990 1.00 31.45 C ATOM 1211 CD1 ILE A 77 -5.998 -1.257 -7.815 1.00 44.52 C ATOM 0 H ILE A 77 -9.244 -3.403 -8.287 1.00 53.02 H new ATOM 0 HA ILE A 77 -7.276 -5.591 -8.078 1.00 41.23 H new ATOM 0 HB ILE A 77 -5.553 -3.715 -8.004 1.00 62.11 H new ATOM 0 HG12 ILE A 77 -7.081 -1.833 -9.559 1.00 31.11 H new ATOM 0 HG13 ILE A 77 -7.929 -2.130 -8.054 1.00 31.11 H new ATOM 0 HG21 ILE A 77 -5.487 -3.443 -10.451 1.00 31.45 H new ATOM 0 HG22 ILE A 77 -5.858 -5.120 -9.985 1.00 31.45 H new ATOM 0 HG23 ILE A 77 -7.157 -4.048 -10.560 1.00 31.45 H new ATOM 0 HD11 ILE A 77 -6.392 -0.241 -7.836 1.00 44.52 H new ATOM 0 HD12 ILE A 77 -5.887 -1.582 -6.780 1.00 44.52 H new ATOM 0 HD13 ILE A 77 -5.026 -1.280 -8.309 1.00 44.52 H new ATOM 1223 N PRO A 78 -6.578 -4.932 -5.683 1.00 73.50 N ATOM 1224 CA PRO A 78 -6.438 -4.788 -4.231 1.00 1.11 C ATOM 1225 C PRO A 78 -5.934 -3.405 -3.832 1.00 12.12 C ATOM 1226 O PRO A 78 -4.746 -3.109 -3.951 1.00 40.24 O ATOM 1227 CB PRO A 78 -5.405 -5.858 -3.866 1.00 20.42 C ATOM 1228 CG PRO A 78 -4.615 -6.062 -5.113 1.00 14.11 C ATOM 1229 CD PRO A 78 -5.575 -5.847 -6.251 1.00 24.53 C ATOM 0 HA PRO A 78 -7.392 -4.903 -3.716 1.00 1.11 H new ATOM 0 HB2 PRO A 78 -4.769 -5.530 -3.044 1.00 20.42 H new ATOM 0 HB3 PRO A 78 -5.888 -6.782 -3.547 1.00 20.42 H new ATOM 0 HG2 PRO A 78 -3.783 -5.360 -5.167 1.00 14.11 H new ATOM 0 HG3 PRO A 78 -4.189 -7.065 -5.146 1.00 14.11 H new ATOM 0 HD2 PRO A 78 -5.079 -5.411 -7.118 1.00 24.53 H new ATOM 0 HD3 PRO A 78 -6.026 -6.784 -6.579 1.00 24.53 H new ATOM 1237 N ILE A 79 -6.847 -2.562 -3.358 1.00 62.45 N ATOM 1238 CA ILE A 79 -6.494 -1.211 -2.941 1.00 22.21 C ATOM 1239 C ILE A 79 -6.916 -0.954 -1.498 1.00 75.33 C ATOM 1240 O ILE A 79 -8.078 -1.143 -1.139 1.00 41.33 O ATOM 1241 CB ILE A 79 -7.145 -0.153 -3.851 1.00 71.01 C ATOM 1242 CG1 ILE A 79 -6.796 1.255 -3.364 1.00 25.31 C ATOM 1243 CG2 ILE A 79 -8.654 -0.346 -3.892 1.00 43.34 C ATOM 1244 CD1 ILE A 79 -5.310 1.539 -3.355 1.00 2.20 C ATOM 0 H ILE A 79 -7.835 -2.791 -3.254 1.00 62.45 H new ATOM 0 HA ILE A 79 -5.410 -1.129 -3.020 1.00 22.21 H new ATOM 0 HB ILE A 79 -6.755 -0.275 -4.861 1.00 71.01 H new ATOM 0 HG12 ILE A 79 -7.294 1.985 -4.002 1.00 25.31 H new ATOM 0 HG13 ILE A 79 -7.190 1.391 -2.357 1.00 25.31 H new ATOM 0 HG21 ILE A 79 -9.100 0.409 -4.539 1.00 43.34 H new ATOM 0 HG22 ILE A 79 -8.883 -1.338 -4.281 1.00 43.34 H new ATOM 0 HG23 ILE A 79 -9.061 -0.247 -2.886 1.00 43.34 H new ATOM 0 HD11 ILE A 79 -5.136 2.554 -2.999 1.00 2.20 H new ATOM 0 HD12 ILE A 79 -4.808 0.832 -2.694 1.00 2.20 H new ATOM 0 HD13 ILE A 79 -4.914 1.436 -4.365 1.00 2.20 H new ATOM 1256 N GLU A 80 -5.965 -0.520 -0.678 1.00 21.13 N ATOM 1257 CA GLU A 80 -6.239 -0.235 0.726 1.00 34.23 C ATOM 1258 C GLU A 80 -6.007 1.240 1.038 1.00 32.00 C ATOM 1259 O GLU A 80 -5.278 1.928 0.323 1.00 51.44 O ATOM 1260 CB GLU A 80 -5.358 -1.104 1.627 1.00 14.44 C ATOM 1261 CG GLU A 80 -5.585 -2.595 1.447 1.00 52.33 C ATOM 1262 CD GLU A 80 -7.002 -3.015 1.790 1.00 71.10 C ATOM 1263 OE1 GLU A 80 -7.258 -3.329 2.970 1.00 20.15 O ATOM 1264 OE2 GLU A 80 -7.853 -3.029 0.876 1.00 74.12 O ATOM 0 H GLU A 80 -4.998 -0.358 -0.961 1.00 21.13 H new ATOM 0 HA GLU A 80 -7.286 -0.468 0.920 1.00 34.23 H new ATOM 0 HB2 GLU A 80 -4.311 -0.878 1.424 1.00 14.44 H new ATOM 0 HB3 GLU A 80 -5.546 -0.840 2.668 1.00 14.44 H new ATOM 0 HG2 GLU A 80 -5.368 -2.870 0.415 1.00 52.33 H new ATOM 0 HG3 GLU A 80 -4.885 -3.144 2.077 1.00 52.33 H new ATOM 1271 N ILE A 81 -6.631 1.718 2.108 1.00 14.14 N ATOM 1272 CA ILE A 81 -6.492 3.110 2.515 1.00 2.32 C ATOM 1273 C ILE A 81 -6.243 3.223 4.016 1.00 53.23 C ATOM 1274 O ILE A 81 -7.041 2.748 4.824 1.00 2.13 O ATOM 1275 CB ILE A 81 -7.744 3.932 2.152 1.00 63.45 C ATOM 1276 CG1 ILE A 81 -8.001 3.867 0.644 1.00 12.24 C ATOM 1277 CG2 ILE A 81 -7.582 5.374 2.605 1.00 24.00 C ATOM 1278 CD1 ILE A 81 -9.226 4.639 0.207 1.00 11.14 C ATOM 0 H ILE A 81 -7.238 1.161 2.709 1.00 14.14 H new ATOM 0 HA ILE A 81 -5.634 3.511 1.975 1.00 2.32 H new ATOM 0 HB ILE A 81 -8.604 3.505 2.669 1.00 63.45 H new ATOM 0 HG12 ILE A 81 -7.129 4.256 0.118 1.00 12.24 H new ATOM 0 HG13 ILE A 81 -8.113 2.824 0.347 1.00 12.24 H new ATOM 0 HG21 ILE A 81 -8.475 5.941 2.341 1.00 24.00 H new ATOM 0 HG22 ILE A 81 -7.440 5.402 3.685 1.00 24.00 H new ATOM 0 HG23 ILE A 81 -6.714 5.814 2.114 1.00 24.00 H new ATOM 0 HD11 ILE A 81 -9.347 4.549 -0.873 1.00 11.14 H new ATOM 0 HD12 ILE A 81 -10.107 4.236 0.706 1.00 11.14 H new ATOM 0 HD13 ILE A 81 -9.108 5.690 0.473 1.00 11.14 H new ATOM 1290 N ILE A 82 -5.133 3.856 4.380 1.00 62.21 N ATOM 1291 CA ILE A 82 -4.781 4.034 5.783 1.00 25.53 C ATOM 1292 C ILE A 82 -5.586 5.165 6.413 1.00 61.12 C ATOM 1293 O ILE A 82 -5.873 6.171 5.766 1.00 71.04 O ATOM 1294 CB ILE A 82 -3.279 4.331 5.953 1.00 22.53 C ATOM 1295 CG1 ILE A 82 -2.444 3.322 5.160 1.00 14.41 C ATOM 1296 CG2 ILE A 82 -2.897 4.301 7.425 1.00 4.11 C ATOM 1297 CD1 ILE A 82 -0.957 3.590 5.218 1.00 1.25 C ATOM 0 H ILE A 82 -4.462 4.254 3.723 1.00 62.21 H new ATOM 0 HA ILE A 82 -5.018 3.098 6.289 1.00 25.53 H new ATOM 0 HB ILE A 82 -3.075 5.329 5.564 1.00 22.53 H new ATOM 0 HG12 ILE A 82 -2.640 2.320 5.543 1.00 14.41 H new ATOM 0 HG13 ILE A 82 -2.767 3.334 4.119 1.00 14.41 H new ATOM 0 HG21 ILE A 82 -1.833 4.513 7.529 1.00 4.11 H new ATOM 0 HG22 ILE A 82 -3.471 5.054 7.965 1.00 4.11 H new ATOM 0 HG23 ILE A 82 -3.113 3.315 7.837 1.00 4.11 H new ATOM 0 HD11 ILE A 82 -0.428 2.836 4.634 1.00 1.25 H new ATOM 0 HD12 ILE A 82 -0.749 4.578 4.808 1.00 1.25 H new ATOM 0 HD13 ILE A 82 -0.620 3.549 6.254 1.00 1.25 H new ATOM 1309 N ASN A 83 -5.944 4.994 7.681 1.00 60.23 N ATOM 1310 CA ASN A 83 -6.715 6.001 8.399 1.00 13.25 C ATOM 1311 C ASN A 83 -5.803 7.093 8.952 1.00 21.21 C ATOM 1312 O ASN A 83 -4.602 6.883 9.130 1.00 54.43 O ATOM 1313 CB ASN A 83 -7.502 5.354 9.541 1.00 74.10 C ATOM 1314 CG ASN A 83 -8.894 4.927 9.114 1.00 1.14 C ATOM 1315 OD1 ASN A 83 -9.120 4.576 7.956 1.00 12.51 O ATOM 1316 ND2 ASN A 83 -9.834 4.956 10.050 1.00 14.15 N ATOM 0 H ASN A 83 -5.712 4.168 8.232 1.00 60.23 H new ATOM 0 HA ASN A 83 -7.414 6.455 7.696 1.00 13.25 H new ATOM 0 HB2 ASN A 83 -6.955 4.486 9.909 1.00 74.10 H new ATOM 0 HB3 ASN A 83 -7.579 6.057 10.370 1.00 74.10 H new ATOM 0 HD21 ASN A 83 -10.789 4.680 9.822 1.00 14.15 H new ATOM 0 HD22 ASN A 83 -9.601 5.254 10.997 1.00 14.15 H new ATOM 1323 N THR A 84 -6.382 8.258 9.224 1.00 41.54 N ATOM 1324 CA THR A 84 -5.622 9.384 9.755 1.00 33.40 C ATOM 1325 C THR A 84 -4.818 8.973 10.982 1.00 23.24 C ATOM 1326 O THR A 84 -3.713 9.468 11.208 1.00 55.35 O ATOM 1327 CB THR A 84 -6.545 10.558 10.129 1.00 23.21 C ATOM 1328 OG1 THR A 84 -7.750 10.499 9.358 1.00 14.04 O ATOM 1329 CG2 THR A 84 -5.850 11.890 9.891 1.00 10.43 C ATOM 0 H THR A 84 -7.375 8.447 9.086 1.00 41.54 H new ATOM 0 HA THR A 84 -4.940 9.705 8.968 1.00 33.40 H new ATOM 0 HB THR A 84 -6.788 10.477 11.189 1.00 23.21 H new ATOM 0 HG1 THR A 84 -8.332 11.248 9.603 1.00 14.04 H new ATOM 0 HG21 THR A 84 -6.522 12.704 10.162 1.00 10.43 H new ATOM 0 HG22 THR A 84 -4.949 11.944 10.501 1.00 10.43 H new ATOM 0 HG23 THR A 84 -5.581 11.977 8.838 1.00 10.43 H new ATOM 1337 N ILE A 85 -5.377 8.063 11.773 1.00 40.10 N ATOM 1338 CA ILE A 85 -4.710 7.584 12.978 1.00 50.45 C ATOM 1339 C ILE A 85 -3.523 6.693 12.631 1.00 44.31 C ATOM 1340 O ILE A 85 -2.374 7.029 12.926 1.00 15.32 O ATOM 1341 CB ILE A 85 -5.678 6.801 13.883 1.00 31.53 C ATOM 1342 CG1 ILE A 85 -6.934 7.629 14.163 1.00 41.01 C ATOM 1343 CG2 ILE A 85 -4.991 6.415 15.185 1.00 10.31 C ATOM 1344 CD1 ILE A 85 -6.655 8.920 14.900 1.00 64.20 C ATOM 0 H ILE A 85 -6.290 7.643 11.601 1.00 40.10 H new ATOM 0 HA ILE A 85 -4.356 8.464 13.514 1.00 50.45 H new ATOM 0 HB ILE A 85 -5.975 5.888 13.367 1.00 31.53 H new ATOM 0 HG12 ILE A 85 -7.426 7.859 13.218 1.00 41.01 H new ATOM 0 HG13 ILE A 85 -7.632 7.030 14.748 1.00 41.01 H new ATOM 0 HG21 ILE A 85 -5.688 5.862 15.814 1.00 10.31 H new ATOM 0 HG22 ILE A 85 -4.124 5.791 14.968 1.00 10.31 H new ATOM 0 HG23 ILE A 85 -4.668 7.316 15.707 1.00 10.31 H new ATOM 0 HD11 ILE A 85 -7.591 9.455 15.064 1.00 64.20 H new ATOM 0 HD12 ILE A 85 -6.191 8.697 15.861 1.00 64.20 H new ATOM 0 HD13 ILE A 85 -5.982 9.539 14.307 1.00 64.20 H new ATOM 1356 N ASP A 86 -3.805 5.558 12.002 1.00 31.14 N ATOM 1357 CA ASP A 86 -2.759 4.620 11.612 1.00 63.42 C ATOM 1358 C ASP A 86 -1.662 5.326 10.821 1.00 73.33 C ATOM 1359 O ASP A 86 -0.498 4.928 10.864 1.00 12.53 O ATOM 1360 CB ASP A 86 -3.352 3.480 10.782 1.00 63.52 C ATOM 1361 CG ASP A 86 -4.385 2.680 11.549 1.00 0.55 C ATOM 1362 OD1 ASP A 86 -4.285 2.622 12.793 1.00 73.34 O ATOM 1363 OD2 ASP A 86 -5.293 2.112 10.907 1.00 14.00 O ATOM 0 H ASP A 86 -4.749 5.265 11.751 1.00 31.14 H new ATOM 0 HA ASP A 86 -2.318 4.207 12.519 1.00 63.42 H new ATOM 0 HB2 ASP A 86 -3.810 3.890 9.882 1.00 63.52 H new ATOM 0 HB3 ASP A 86 -2.551 2.816 10.458 1.00 63.52 H new ATOM 1368 N TYR A 87 -2.043 6.374 10.099 1.00 33.11 N ATOM 1369 CA TYR A 87 -1.093 7.133 9.295 1.00 41.11 C ATOM 1370 C TYR A 87 -0.263 8.067 10.170 1.00 41.32 C ATOM 1371 O TYR A 87 0.953 8.169 10.011 1.00 62.22 O ATOM 1372 CB TYR A 87 -1.829 7.940 8.224 1.00 11.42 C ATOM 1373 CG TYR A 87 -0.915 8.520 7.168 1.00 72.44 C ATOM 1374 CD1 TYR A 87 -0.232 7.696 6.283 1.00 61.32 C ATOM 1375 CD2 TYR A 87 -0.737 9.894 7.055 1.00 24.52 C ATOM 1376 CE1 TYR A 87 0.604 8.221 5.317 1.00 73.22 C ATOM 1377 CE2 TYR A 87 0.097 10.428 6.091 1.00 22.32 C ATOM 1378 CZ TYR A 87 0.765 9.588 5.225 1.00 32.13 C ATOM 1379 OH TYR A 87 1.596 10.115 4.263 1.00 2.34 O ATOM 0 H TYR A 87 -3.003 6.717 10.054 1.00 33.11 H new ATOM 0 HA TYR A 87 -0.421 6.426 8.810 1.00 41.11 H new ATOM 0 HB2 TYR A 87 -2.567 7.299 7.742 1.00 11.42 H new ATOM 0 HB3 TYR A 87 -2.376 8.751 8.704 1.00 11.42 H new ATOM 0 HD1 TYR A 87 -0.357 6.625 6.351 1.00 61.32 H new ATOM 0 HD2 TYR A 87 -1.259 10.555 7.731 1.00 24.52 H new ATOM 0 HE1 TYR A 87 1.128 7.565 4.638 1.00 73.22 H new ATOM 0 HE2 TYR A 87 0.225 11.498 6.016 1.00 22.32 H new ATOM 0 HH TYR A 87 1.684 9.479 3.523 1.00 2.34 H new ATOM 1389 N GLY A 88 -0.930 8.748 11.097 1.00 20.14 N ATOM 1390 CA GLY A 88 -0.240 9.665 11.985 1.00 52.53 C ATOM 1391 C GLY A 88 0.702 8.953 12.936 1.00 13.13 C ATOM 1392 O GLY A 88 1.812 9.421 13.189 1.00 30.32 O ATOM 0 H GLY A 88 -1.936 8.681 11.249 1.00 20.14 H new ATOM 0 HA2 GLY A 88 0.323 10.385 11.392 1.00 52.53 H new ATOM 0 HA3 GLY A 88 -0.974 10.230 12.560 1.00 52.53 H new ATOM 1396 N THR A 89 0.257 7.818 13.467 1.00 62.25 N ATOM 1397 CA THR A 89 1.067 7.040 14.397 1.00 54.44 C ATOM 1398 C THR A 89 2.149 6.259 13.663 1.00 24.00 C ATOM 1399 O THR A 89 3.185 5.925 14.239 1.00 32.04 O ATOM 1400 CB THR A 89 0.201 6.058 15.209 1.00 50.32 C ATOM 1401 OG1 THR A 89 1.034 5.250 16.048 1.00 74.12 O ATOM 1402 CG2 THR A 89 -0.616 5.167 14.287 1.00 54.33 C ATOM 0 H THR A 89 -0.660 7.417 13.269 1.00 62.25 H new ATOM 0 HA THR A 89 1.535 7.750 15.079 1.00 54.44 H new ATOM 0 HB THR A 89 -0.484 6.638 15.828 1.00 50.32 H new ATOM 0 HG1 THR A 89 1.008 4.321 15.737 1.00 74.12 H new ATOM 0 HG21 THR A 89 -1.219 4.482 14.883 1.00 54.33 H new ATOM 0 HG22 THR A 89 -1.270 5.784 13.670 1.00 54.33 H new ATOM 0 HG23 THR A 89 0.055 4.595 13.645 1.00 54.33 H new ATOM 1410 N MET A 90 1.905 5.970 12.390 1.00 72.11 N ATOM 1411 CA MET A 90 2.862 5.229 11.577 1.00 34.10 C ATOM 1412 C MET A 90 3.114 3.843 12.162 1.00 24.54 C ATOM 1413 O MET A 90 4.125 3.614 12.825 1.00 44.13 O ATOM 1414 CB MET A 90 4.179 5.999 11.473 1.00 43.21 C ATOM 1415 CG MET A 90 4.016 7.413 10.940 1.00 62.21 C ATOM 1416 SD MET A 90 5.006 8.616 11.849 1.00 60.14 S ATOM 1417 CE MET A 90 6.567 7.746 11.972 1.00 54.23 C ATOM 0 H MET A 90 1.052 6.238 11.898 1.00 72.11 H new ATOM 0 HA MET A 90 2.439 5.111 10.579 1.00 34.10 H new ATOM 0 HB2 MET A 90 4.644 6.042 12.458 1.00 43.21 H new ATOM 0 HB3 MET A 90 4.861 5.451 10.823 1.00 43.21 H new ATOM 0 HG2 MET A 90 4.300 7.436 9.888 1.00 62.21 H new ATOM 0 HG3 MET A 90 2.965 7.698 10.993 1.00 62.21 H new ATOM 0 HE1 MET A 90 6.727 7.430 13.003 1.00 54.23 H new ATOM 0 HE2 MET A 90 6.548 6.870 11.323 1.00 54.23 H new ATOM 0 HE3 MET A 90 7.377 8.407 11.665 1.00 54.23 H new ATOM 1427 N ASN A 91 2.188 2.922 11.915 1.00 51.30 N ATOM 1428 CA ASN A 91 2.311 1.560 12.419 1.00 34.25 C ATOM 1429 C ASN A 91 2.676 0.594 11.295 1.00 14.21 C ATOM 1430 O ASN A 91 1.808 0.126 10.558 1.00 2.44 O ATOM 1431 CB ASN A 91 1.003 1.120 13.081 1.00 63.43 C ATOM 1432 CG ASN A 91 1.099 1.099 14.594 1.00 41.21 C ATOM 1433 OD1 ASN A 91 1.068 2.145 15.242 1.00 25.44 O ATOM 1434 ND2 ASN A 91 1.215 -0.095 15.163 1.00 33.25 N ATOM 0 H ASN A 91 1.344 3.095 11.369 1.00 51.30 H new ATOM 0 HA ASN A 91 3.110 1.544 13.161 1.00 34.25 H new ATOM 0 HB2 ASN A 91 0.202 1.795 12.780 1.00 63.43 H new ATOM 0 HB3 ASN A 91 0.734 0.126 12.723 1.00 63.43 H new ATOM 0 HD21 ASN A 91 1.283 -0.172 16.178 1.00 33.25 H new ATOM 0 HD22 ASN A 91 1.236 -0.935 14.585 1.00 33.25 H new ATOM 1441 N GLY A 92 3.967 0.300 11.170 1.00 15.34 N ATOM 1442 CA GLY A 92 4.423 -0.607 10.135 1.00 4.12 C ATOM 1443 C GLY A 92 3.670 -1.923 10.143 1.00 3.42 C ATOM 1444 O GLY A 92 3.214 -2.389 9.100 1.00 23.20 O ATOM 0 H GLY A 92 4.704 0.674 11.767 1.00 15.34 H new ATOM 0 HA2 GLY A 92 4.306 -0.131 9.162 1.00 4.12 H new ATOM 0 HA3 GLY A 92 5.487 -0.800 10.269 1.00 4.12 H new ATOM 1448 N GLU A 93 3.541 -2.522 11.323 1.00 50.43 N ATOM 1449 CA GLU A 93 2.840 -3.793 11.461 1.00 75.11 C ATOM 1450 C GLU A 93 1.440 -3.710 10.859 1.00 50.24 C ATOM 1451 O GLU A 93 1.029 -4.580 10.091 1.00 62.54 O ATOM 1452 CB GLU A 93 2.750 -4.194 12.935 1.00 53.31 C ATOM 1453 CG GLU A 93 2.312 -5.633 13.148 1.00 32.22 C ATOM 1454 CD GLU A 93 2.165 -5.987 14.615 1.00 13.10 C ATOM 1455 OE1 GLU A 93 2.274 -5.072 15.459 1.00 63.53 O ATOM 1456 OE2 GLU A 93 1.941 -7.177 14.919 1.00 13.35 O ATOM 0 H GLU A 93 3.912 -2.148 12.196 1.00 50.43 H new ATOM 0 HA GLU A 93 3.406 -4.551 10.920 1.00 75.11 H new ATOM 0 HB2 GLU A 93 3.723 -4.046 13.403 1.00 53.31 H new ATOM 0 HB3 GLU A 93 2.049 -3.531 13.441 1.00 53.31 H new ATOM 0 HG2 GLU A 93 1.361 -5.798 12.641 1.00 32.22 H new ATOM 0 HG3 GLU A 93 3.039 -6.302 12.688 1.00 32.22 H new ATOM 1463 N LYS A 94 0.712 -2.657 11.212 1.00 54.33 N ATOM 1464 CA LYS A 94 -0.642 -2.457 10.708 1.00 41.14 C ATOM 1465 C LYS A 94 -0.638 -2.285 9.192 1.00 23.20 C ATOM 1466 O LYS A 94 -1.528 -2.777 8.499 1.00 61.32 O ATOM 1467 CB LYS A 94 -1.279 -1.233 11.368 1.00 15.44 C ATOM 1468 CG LYS A 94 -1.638 -1.447 12.828 1.00 3.24 C ATOM 1469 CD LYS A 94 -3.096 -1.118 13.098 1.00 33.22 C ATOM 1470 CE LYS A 94 -3.587 -1.773 14.381 1.00 4.20 C ATOM 1471 NZ LYS A 94 -4.460 -2.947 14.105 1.00 20.15 N ATOM 0 H LYS A 94 1.037 -1.927 11.846 1.00 54.33 H new ATOM 0 HA LYS A 94 -1.229 -3.342 10.955 1.00 41.14 H new ATOM 0 HB2 LYS A 94 -0.592 -0.390 11.291 1.00 15.44 H new ATOM 0 HB3 LYS A 94 -2.179 -0.961 10.817 1.00 15.44 H new ATOM 0 HG2 LYS A 94 -1.441 -2.483 13.104 1.00 3.24 H new ATOM 0 HG3 LYS A 94 -1.001 -0.823 13.455 1.00 3.24 H new ATOM 0 HD2 LYS A 94 -3.219 -0.037 13.170 1.00 33.22 H new ATOM 0 HD3 LYS A 94 -3.707 -1.453 12.260 1.00 33.22 H new ATOM 0 HE2 LYS A 94 -2.731 -2.089 14.978 1.00 4.20 H new ATOM 0 HE3 LYS A 94 -4.137 -1.043 14.974 1.00 4.20 H new ATOM 0 HZ1 LYS A 94 -4.774 -3.365 15.004 1.00 20.15 H new ATOM 0 HZ2 LYS A 94 -5.290 -2.642 13.557 1.00 20.15 H new ATOM 0 HZ3 LYS A 94 -3.927 -3.655 13.561 1.00 20.15 H new ATOM 1485 N VAL A 95 0.371 -1.584 8.682 1.00 22.54 N ATOM 1486 CA VAL A 95 0.493 -1.351 7.249 1.00 62.14 C ATOM 1487 C VAL A 95 0.654 -2.663 6.490 1.00 44.12 C ATOM 1488 O VAL A 95 -0.213 -3.050 5.706 1.00 44.14 O ATOM 1489 CB VAL A 95 1.689 -0.435 6.929 1.00 63.22 C ATOM 1490 CG1 VAL A 95 1.817 -0.227 5.428 1.00 75.24 C ATOM 1491 CG2 VAL A 95 1.547 0.897 7.650 1.00 32.33 C ATOM 0 H VAL A 95 1.115 -1.168 9.241 1.00 22.54 H new ATOM 0 HA VAL A 95 -0.426 -0.861 6.929 1.00 62.14 H new ATOM 0 HB VAL A 95 2.599 -0.919 7.283 1.00 63.22 H new ATOM 0 HG11 VAL A 95 2.668 0.423 5.222 1.00 75.24 H new ATOM 0 HG12 VAL A 95 1.969 -1.189 4.939 1.00 75.24 H new ATOM 0 HG13 VAL A 95 0.907 0.235 5.046 1.00 75.24 H new ATOM 0 HG21 VAL A 95 2.401 1.532 7.413 1.00 32.33 H new ATOM 0 HG22 VAL A 95 0.629 1.389 7.329 1.00 32.33 H new ATOM 0 HG23 VAL A 95 1.510 0.726 8.726 1.00 32.33 H new ATOM 1501 N LEU A 96 1.770 -3.345 6.727 1.00 10.31 N ATOM 1502 CA LEU A 96 2.046 -4.615 6.067 1.00 55.24 C ATOM 1503 C LEU A 96 0.896 -5.596 6.269 1.00 33.35 C ATOM 1504 O LEU A 96 0.520 -6.325 5.353 1.00 71.34 O ATOM 1505 CB LEU A 96 3.345 -5.218 6.601 1.00 64.03 C ATOM 1506 CG LEU A 96 3.478 -5.288 8.123 1.00 72.24 C ATOM 1507 CD1 LEU A 96 3.190 -6.696 8.619 1.00 22.21 C ATOM 1508 CD2 LEU A 96 4.865 -4.840 8.558 1.00 3.20 C ATOM 0 H LEU A 96 2.498 -3.039 7.372 1.00 10.31 H new ATOM 0 HA LEU A 96 2.153 -4.425 4.999 1.00 55.24 H new ATOM 0 HB2 LEU A 96 3.445 -6.227 6.201 1.00 64.03 H new ATOM 0 HB3 LEU A 96 4.180 -4.636 6.210 1.00 64.03 H new ATOM 0 HG LEU A 96 2.745 -4.613 8.565 1.00 72.24 H new ATOM 0 HD11 LEU A 96 3.289 -6.727 9.704 1.00 22.21 H new ATOM 0 HD12 LEU A 96 2.175 -6.980 8.339 1.00 22.21 H new ATOM 0 HD13 LEU A 96 3.898 -7.392 8.170 1.00 22.21 H new ATOM 0 HD21 LEU A 96 4.942 -4.896 9.644 1.00 3.20 H new ATOM 0 HD22 LEU A 96 5.615 -5.490 8.107 1.00 3.20 H new ATOM 0 HD23 LEU A 96 5.033 -3.813 8.235 1.00 3.20 H new ATOM 1520 N GLN A 97 0.340 -5.606 7.476 1.00 34.04 N ATOM 1521 CA GLN A 97 -0.769 -6.496 7.800 1.00 52.42 C ATOM 1522 C GLN A 97 -1.969 -6.219 6.899 1.00 33.54 C ATOM 1523 O GLN A 97 -2.588 -7.145 6.370 1.00 12.51 O ATOM 1524 CB GLN A 97 -1.171 -6.335 9.266 1.00 3.24 C ATOM 1525 CG GLN A 97 -0.314 -7.147 10.225 1.00 64.13 C ATOM 1526 CD GLN A 97 -0.723 -8.606 10.278 1.00 20.05 C ATOM 1527 OE1 GLN A 97 -1.521 -9.008 11.127 1.00 53.24 O ATOM 1528 NE2 GLN A 97 -0.178 -9.408 9.372 1.00 20.20 N ATOM 0 H GLN A 97 0.639 -5.008 8.246 1.00 34.04 H new ATOM 0 HA GLN A 97 -0.439 -7.521 7.633 1.00 52.42 H new ATOM 0 HB2 GLN A 97 -1.107 -5.281 9.538 1.00 3.24 H new ATOM 0 HB3 GLN A 97 -2.213 -6.632 9.383 1.00 3.24 H new ATOM 0 HG2 GLN A 97 0.731 -7.077 9.922 1.00 64.13 H new ATOM 0 HG3 GLN A 97 -0.385 -6.717 11.224 1.00 64.13 H new ATOM 0 HE21 GLN A 97 0.478 -9.032 8.687 1.00 20.20 H new ATOM 0 HE22 GLN A 97 -0.415 -10.400 9.360 1.00 20.20 H new ATOM 1537 N LEU A 98 -2.293 -4.942 6.729 1.00 23.51 N ATOM 1538 CA LEU A 98 -3.419 -4.544 5.892 1.00 15.00 C ATOM 1539 C LEU A 98 -3.188 -4.946 4.439 1.00 31.33 C ATOM 1540 O LEU A 98 -4.041 -5.579 3.817 1.00 42.20 O ATOM 1541 CB LEU A 98 -3.641 -3.033 5.985 1.00 23.44 C ATOM 1542 CG LEU A 98 -5.012 -2.585 6.491 1.00 21.21 C ATOM 1543 CD1 LEU A 98 -4.868 -1.441 7.481 1.00 0.12 C ATOM 1544 CD2 LEU A 98 -5.902 -2.176 5.326 1.00 2.03 C ATOM 0 H LEU A 98 -1.792 -4.165 7.160 1.00 23.51 H new ATOM 0 HA LEU A 98 -4.308 -5.059 6.255 1.00 15.00 H new ATOM 0 HB2 LEU A 98 -2.879 -2.614 6.642 1.00 23.44 H new ATOM 0 HB3 LEU A 98 -3.482 -2.601 4.997 1.00 23.44 H new ATOM 0 HG LEU A 98 -5.481 -3.425 7.004 1.00 21.21 H new ATOM 0 HD11 LEU A 98 -5.854 -1.136 7.830 1.00 0.12 H new ATOM 0 HD12 LEU A 98 -4.268 -1.768 8.330 1.00 0.12 H new ATOM 0 HD13 LEU A 98 -4.378 -0.598 6.994 1.00 0.12 H new ATOM 0 HD21 LEU A 98 -6.874 -1.860 5.704 1.00 2.03 H new ATOM 0 HD22 LEU A 98 -5.437 -1.351 4.785 1.00 2.03 H new ATOM 0 HD23 LEU A 98 -6.033 -3.023 4.653 1.00 2.03 H new ATOM 1556 N ALA A 99 -2.028 -4.578 3.906 1.00 52.32 N ATOM 1557 CA ALA A 99 -1.682 -4.904 2.528 1.00 34.41 C ATOM 1558 C ALA A 99 -1.836 -6.398 2.262 1.00 14.32 C ATOM 1559 O ALA A 99 -2.562 -6.804 1.354 1.00 65.12 O ATOM 1560 CB ALA A 99 -0.262 -4.455 2.220 1.00 61.41 C ATOM 0 H ALA A 99 -1.311 -4.054 4.408 1.00 52.32 H new ATOM 0 HA ALA A 99 -2.370 -4.372 1.871 1.00 34.41 H new ATOM 0 HB1 ALA A 99 -0.017 -4.705 1.188 1.00 61.41 H new ATOM 0 HB2 ALA A 99 -0.183 -3.377 2.361 1.00 61.41 H new ATOM 0 HB3 ALA A 99 0.433 -4.961 2.890 1.00 61.41 H new ATOM 1566 N ILE A 100 -1.150 -7.209 3.060 1.00 33.30 N ATOM 1567 CA ILE A 100 -1.212 -8.658 2.910 1.00 73.31 C ATOM 1568 C ILE A 100 -2.650 -9.160 3.001 1.00 44.21 C ATOM 1569 O ILE A 100 -3.099 -9.941 2.164 1.00 53.24 O ATOM 1570 CB ILE A 100 -0.364 -9.372 3.980 1.00 13.30 C ATOM 1571 CG1 ILE A 100 1.093 -8.914 3.894 1.00 44.14 C ATOM 1572 CG2 ILE A 100 -0.462 -10.881 3.814 1.00 2.35 C ATOM 1573 CD1 ILE A 100 1.894 -9.211 5.143 1.00 40.15 C ATOM 0 H ILE A 100 -0.545 -6.888 3.816 1.00 33.30 H new ATOM 0 HA ILE A 100 -0.810 -8.890 1.924 1.00 73.31 H new ATOM 0 HB ILE A 100 -0.751 -9.110 4.965 1.00 13.30 H new ATOM 0 HG12 ILE A 100 1.569 -9.401 3.043 1.00 44.14 H new ATOM 0 HG13 ILE A 100 1.118 -7.841 3.703 1.00 44.14 H new ATOM 0 HG21 ILE A 100 0.143 -11.371 4.577 1.00 2.35 H new ATOM 0 HG22 ILE A 100 -1.501 -11.192 3.919 1.00 2.35 H new ATOM 0 HG23 ILE A 100 -0.097 -11.163 2.826 1.00 2.35 H new ATOM 0 HD11 ILE A 100 2.917 -8.859 5.011 1.00 40.15 H new ATOM 0 HD12 ILE A 100 1.442 -8.702 5.995 1.00 40.15 H new ATOM 0 HD13 ILE A 100 1.900 -10.286 5.324 1.00 40.15 H new ATOM 1585 N ASN A 101 -3.367 -8.703 4.022 1.00 51.34 N ATOM 1586 CA ASN A 101 -4.755 -9.103 4.221 1.00 21.11 C ATOM 1587 C ASN A 101 -5.577 -8.866 2.958 1.00 3.43 C ATOM 1588 O ASN A 101 -6.387 -9.705 2.564 1.00 3.45 O ATOM 1589 CB ASN A 101 -5.367 -8.334 5.394 1.00 43.33 C ATOM 1590 CG ASN A 101 -5.065 -8.982 6.731 1.00 43.21 C ATOM 1591 OD1 ASN A 101 -4.741 -10.166 6.800 1.00 61.42 O ATOM 1592 ND2 ASN A 101 -5.171 -8.204 7.802 1.00 35.22 N ATOM 0 H ASN A 101 -3.010 -8.055 4.724 1.00 51.34 H new ATOM 0 HA ASN A 101 -4.770 -10.169 4.447 1.00 21.11 H new ATOM 0 HB2 ASN A 101 -4.986 -7.313 5.394 1.00 43.33 H new ATOM 0 HB3 ASN A 101 -6.447 -8.271 5.260 1.00 43.33 H new ATOM 0 HD21 ASN A 101 -4.980 -8.584 8.729 1.00 35.22 H new ATOM 0 HD22 ASN A 101 -5.443 -7.227 7.697 1.00 35.22 H new ATOM 1599 N ALA A 102 -5.362 -7.716 2.327 1.00 2.21 N ATOM 1600 CA ALA A 102 -6.080 -7.368 1.107 1.00 51.03 C ATOM 1601 C ALA A 102 -5.689 -8.290 -0.043 1.00 32.52 C ATOM 1602 O ALA A 102 -6.545 -8.771 -0.786 1.00 15.25 O ATOM 1603 CB ALA A 102 -5.816 -5.917 0.734 1.00 1.34 C ATOM 0 H ALA A 102 -4.696 -7.010 2.641 1.00 2.21 H new ATOM 0 HA ALA A 102 -7.146 -7.496 1.295 1.00 51.03 H new ATOM 0 HB1 ALA A 102 -6.359 -5.671 -0.179 1.00 1.34 H new ATOM 0 HB2 ALA A 102 -6.152 -5.267 1.542 1.00 1.34 H new ATOM 0 HB3 ALA A 102 -4.748 -5.772 0.572 1.00 1.34 H new ATOM 1609 N PHE A 103 -4.390 -8.535 -0.183 1.00 12.20 N ATOM 1610 CA PHE A 103 -3.886 -9.399 -1.244 1.00 32.43 C ATOM 1611 C PHE A 103 -4.546 -10.774 -1.185 1.00 62.12 C ATOM 1612 O PHE A 103 -5.024 -11.288 -2.196 1.00 15.45 O ATOM 1613 CB PHE A 103 -2.366 -9.546 -1.132 1.00 54.43 C ATOM 1614 CG PHE A 103 -1.753 -10.311 -2.270 1.00 3.50 C ATOM 1615 CD1 PHE A 103 -1.525 -9.698 -3.491 1.00 43.13 C ATOM 1616 CD2 PHE A 103 -1.405 -11.643 -2.118 1.00 10.15 C ATOM 1617 CE1 PHE A 103 -0.960 -10.399 -4.540 1.00 0.33 C ATOM 1618 CE2 PHE A 103 -0.839 -12.350 -3.162 1.00 42.31 C ATOM 1619 CZ PHE A 103 -0.618 -11.727 -4.375 1.00 71.20 C ATOM 0 H PHE A 103 -3.668 -8.148 0.425 1.00 12.20 H new ATOM 0 HA PHE A 103 -4.131 -8.938 -2.201 1.00 32.43 H new ATOM 0 HB2 PHE A 103 -1.915 -8.555 -1.087 1.00 54.43 H new ATOM 0 HB3 PHE A 103 -2.126 -10.049 -0.195 1.00 54.43 H new ATOM 0 HD1 PHE A 103 -1.792 -8.660 -3.625 1.00 43.13 H new ATOM 0 HD2 PHE A 103 -1.578 -12.135 -1.172 1.00 10.15 H new ATOM 0 HE1 PHE A 103 -0.786 -9.909 -5.487 1.00 0.33 H new ATOM 0 HE2 PHE A 103 -0.570 -13.388 -3.030 1.00 42.31 H new ATOM 0 HZ PHE A 103 -0.178 -12.278 -5.193 1.00 71.20 H new ATOM 1629 N ASN A 104 -4.566 -11.364 0.006 1.00 40.04 N ATOM 1630 CA ASN A 104 -5.166 -12.679 0.197 1.00 32.14 C ATOM 1631 C ASN A 104 -6.679 -12.620 0.008 1.00 44.22 C ATOM 1632 O ASN A 104 -7.252 -13.407 -0.743 1.00 71.25 O ATOM 1633 CB ASN A 104 -4.835 -13.216 1.592 1.00 53.14 C ATOM 1634 CG ASN A 104 -3.454 -13.838 1.658 1.00 34.45 C ATOM 1635 OD1 ASN A 104 -3.123 -14.726 0.873 1.00 60.22 O ATOM 1636 ND2 ASN A 104 -2.642 -13.376 2.600 1.00 11.40 N ATOM 0 H ASN A 104 -4.174 -10.952 0.853 1.00 40.04 H new ATOM 0 HA ASN A 104 -4.751 -13.353 -0.552 1.00 32.14 H new ATOM 0 HB2 ASN A 104 -4.900 -12.404 2.316 1.00 53.14 H new ATOM 0 HB3 ASN A 104 -5.579 -13.959 1.879 1.00 53.14 H new ATOM 0 HD21 ASN A 104 -1.701 -13.758 2.695 1.00 11.40 H new ATOM 0 HD22 ASN A 104 -2.959 -12.638 3.229 1.00 11.40 H new ATOM 1643 N ASN A 105 -7.320 -11.680 0.696 1.00 3.13 N ATOM 1644 CA ASN A 105 -8.765 -11.518 0.605 1.00 35.14 C ATOM 1645 C ASN A 105 -9.207 -11.384 -0.849 1.00 3.01 C ATOM 1646 O ASN A 105 -10.175 -12.013 -1.277 1.00 73.12 O ATOM 1647 CB ASN A 105 -9.213 -10.290 1.401 1.00 53.21 C ATOM 1648 CG ASN A 105 -10.707 -10.282 1.660 1.00 53.05 C ATOM 1649 OD1 ASN A 105 -11.498 -10.706 0.815 1.00 24.13 O ATOM 1650 ND2 ASN A 105 -11.102 -9.797 2.830 1.00 31.45 N ATOM 0 H ASN A 105 -6.860 -11.019 1.323 1.00 3.13 H new ATOM 0 HA ASN A 105 -9.232 -12.407 1.028 1.00 35.14 H new ATOM 0 HB2 ASN A 105 -8.682 -10.264 2.353 1.00 53.21 H new ATOM 0 HB3 ASN A 105 -8.937 -9.387 0.857 1.00 53.21 H new ATOM 0 HD21 ASN A 105 -12.095 -9.765 3.060 1.00 31.45 H new ATOM 0 HD22 ASN A 105 -10.412 -9.457 3.500 1.00 31.45 H new ATOM 1657 N LYS A 106 -8.490 -10.560 -1.606 1.00 13.32 N ATOM 1658 CA LYS A 106 -8.805 -10.343 -3.013 1.00 32.32 C ATOM 1659 C LYS A 106 -8.162 -11.417 -3.885 1.00 74.15 C ATOM 1660 O LYS A 106 -7.489 -12.317 -3.384 1.00 2.53 O ATOM 1661 CB LYS A 106 -8.329 -8.958 -3.456 1.00 13.44 C ATOM 1662 CG LYS A 106 -8.920 -7.822 -2.639 1.00 62.12 C ATOM 1663 CD LYS A 106 -10.069 -7.147 -3.370 1.00 22.53 C ATOM 1664 CE LYS A 106 -11.172 -6.730 -2.410 1.00 3.14 C ATOM 1665 NZ LYS A 106 -12.079 -7.864 -2.081 1.00 40.32 N ATOM 0 H LYS A 106 -7.686 -10.031 -1.268 1.00 13.32 H new ATOM 0 HA LYS A 106 -9.887 -10.403 -3.131 1.00 32.32 H new ATOM 0 HB2 LYS A 106 -7.242 -8.917 -3.387 1.00 13.44 H new ATOM 0 HB3 LYS A 106 -8.587 -8.813 -4.505 1.00 13.44 H new ATOM 0 HG2 LYS A 106 -9.272 -8.206 -1.682 1.00 62.12 H new ATOM 0 HG3 LYS A 106 -8.145 -7.087 -2.422 1.00 62.12 H new ATOM 0 HD2 LYS A 106 -9.698 -6.271 -3.902 1.00 22.53 H new ATOM 0 HD3 LYS A 106 -10.475 -7.827 -4.119 1.00 22.53 H new ATOM 0 HE2 LYS A 106 -10.728 -6.342 -1.493 1.00 3.14 H new ATOM 0 HE3 LYS A 106 -11.750 -5.919 -2.852 1.00 3.14 H new ATOM 0 HZ1 LYS A 106 -12.817 -7.539 -1.424 1.00 40.32 H new ATOM 0 HZ2 LYS A 106 -12.522 -8.218 -2.953 1.00 40.32 H new ATOM 0 HZ3 LYS A 106 -11.532 -8.628 -1.636 1.00 40.32 H new ATOM 1679 N SER A 107 -8.373 -11.314 -5.194 1.00 13.53 N ATOM 1680 CA SER A 107 -7.817 -12.277 -6.136 1.00 31.24 C ATOM 1681 C SER A 107 -8.309 -13.688 -5.826 1.00 23.35 C ATOM 1682 O SER A 107 -7.593 -14.667 -6.034 1.00 52.12 O ATOM 1683 CB SER A 107 -6.288 -12.238 -6.094 1.00 73.50 C ATOM 1684 OG SER A 107 -5.732 -12.705 -7.312 1.00 51.01 O ATOM 0 H SER A 107 -8.925 -10.573 -5.625 1.00 13.53 H new ATOM 0 HA SER A 107 -8.154 -12.005 -7.136 1.00 31.24 H new ATOM 0 HB2 SER A 107 -5.952 -11.218 -5.905 1.00 73.50 H new ATOM 0 HB3 SER A 107 -5.928 -12.851 -5.268 1.00 73.50 H new ATOM 0 HG SER A 107 -6.047 -13.616 -7.488 1.00 51.01 H new ATOM 1690 N SER A 108 -9.537 -13.782 -5.325 1.00 24.02 N ATOM 1691 CA SER A 108 -10.124 -15.071 -4.981 1.00 34.45 C ATOM 1692 C SER A 108 -11.618 -15.089 -5.293 1.00 12.23 C ATOM 1693 O SER A 108 -12.430 -15.524 -4.477 1.00 63.31 O ATOM 1694 CB SER A 108 -9.899 -15.381 -3.499 1.00 44.42 C ATOM 1695 OG SER A 108 -10.007 -16.771 -3.246 1.00 13.13 O ATOM 0 H SER A 108 -10.144 -12.981 -5.149 1.00 24.02 H new ATOM 0 HA SER A 108 -9.634 -15.836 -5.583 1.00 34.45 H new ATOM 0 HB2 SER A 108 -8.913 -15.029 -3.196 1.00 44.42 H new ATOM 0 HB3 SER A 108 -10.629 -14.841 -2.896 1.00 44.42 H new ATOM 0 HG SER A 108 -10.901 -17.081 -3.499 1.00 13.13 H new ATOM 1701 N VAL A 109 -11.973 -14.610 -6.481 1.00 45.22 N ATOM 1702 CA VAL A 109 -13.368 -14.570 -6.904 1.00 3.34 C ATOM 1703 C VAL A 109 -14.201 -13.702 -5.969 1.00 5.34 C ATOM 1704 O VAL A 109 -14.890 -12.782 -6.408 1.00 10.34 O ATOM 1705 CB VAL A 109 -13.979 -15.983 -6.956 1.00 13.43 C ATOM 1706 CG1 VAL A 109 -15.399 -15.931 -7.500 1.00 5.44 C ATOM 1707 CG2 VAL A 109 -13.111 -16.908 -7.795 1.00 1.30 C ATOM 0 H VAL A 109 -11.314 -14.244 -7.168 1.00 45.22 H new ATOM 0 HA VAL A 109 -13.383 -14.138 -7.905 1.00 3.34 H new ATOM 0 HB VAL A 109 -14.019 -16.381 -5.942 1.00 13.43 H new ATOM 0 HG11 VAL A 109 -15.814 -16.938 -7.529 1.00 5.44 H new ATOM 0 HG12 VAL A 109 -16.013 -15.304 -6.854 1.00 5.44 H new ATOM 0 HG13 VAL A 109 -15.388 -15.514 -8.507 1.00 5.44 H new ATOM 0 HG21 VAL A 109 -13.558 -17.902 -7.821 1.00 1.30 H new ATOM 0 HG22 VAL A 109 -13.037 -16.517 -8.810 1.00 1.30 H new ATOM 0 HG23 VAL A 109 -12.115 -16.969 -7.357 1.00 1.30 H new TER 1717 VAL A 109