USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 733 hydrogens (12 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 14 LYS NZ :NH3+ -112:sc= 1.88 (180deg=0.0774) USER MOD Set 1.2: A 82 THR OG1 : rot -95:sc= 1.15 USER MOD Set 2.1: A 71 THR OG1 : rot 180:sc= -0.0272 USER MOD Set 2.2: A 74 GLN : amide:sc= -0.111 K(o=-0.14,f=-2.3!) USER MOD Set 3.1: A 63 ASN : amide:sc= -0.398 K(o=-0.52,f=-2.9!) USER MOD Set 3.2: A 87 HIS : no HD1:sc= -0.123 X(o=-0.52,f=-0.27) USER MOD Set 4.1: A 33 HIS : +bothHN:sc= 0.425 K(o=0.97,f=-9.2!) USER MOD Set 4.2: A 37 TYR OH : rot 180:sc= 0.542 USER MOD Single : A 1 GLY N :NH3+ -116:sc= 0.212 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0152) USER MOD Single : A 15 ASN : amide:sc=-0.00164 X(o=-0.0016,f=0) USER MOD Single : A 17 ASN : amide:sc=-0.00521 X(o=-0.0052,f=-0.39) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -0.0414 K(o=-0.041,f=-3.3!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0.0185 USER MOD Single : A 39 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0429) USER MOD Single : A 44 GLN : amide:sc= -0.0478 K(o=-0.048,f=-2.1!) USER MOD Single : A 49 SER OG : rot 94:sc= 1.31 USER MOD Single : A 54 HIS : no HD1:sc= -0.0188 X(o=-0.019,f=-0.13) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 72 HIS :FLIP no HD1:sc= -0.855 F(o=-1.9,f=-0.86) USER MOD Single : A 73 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0255) USER MOD Single : A 78 THR OG1 : rot 96:sc= 1.27 USER MOD Single : A 81 ASN : amide:sc= -0.0875 K(o=-0.087,f=-1) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 92 LYS NZ :NH3+ -157:sc= 1.14 (180deg=0.409) USER MOD Single : A 94 GLN : amide:sc= -1.59! C(o=-1.6!,f=-9.5!) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 68:sc= 0.216 USER MOD Single : A 101 33B O62 : rot 180:sc= 0 USER MOD Single : A 101 33B O72 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.860 -1.446 -13.815 1.00 41.44 N ATOM 2 CA GLY A 1 -13.957 -1.377 -12.666 1.00 70.43 C ATOM 3 C GLY A 1 -12.771 -2.234 -12.951 1.00 65.53 C ATOM 4 O GLY A 1 -12.713 -2.938 -13.972 1.00 0.23 O ATOM 0 H1 GLY A 1 -14.936 -0.506 -14.254 1.00 41.44 H new ATOM 0 H2 GLY A 1 -14.486 -2.123 -14.510 1.00 41.44 H new ATOM 0 H3 GLY A 1 -15.801 -1.758 -13.499 1.00 41.44 H new ATOM 0 HA2 GLY A 1 -13.647 -0.347 -12.488 1.00 70.43 H new ATOM 0 HA3 GLY A 1 -14.464 -1.718 -11.763 1.00 70.43 H new ATOM 10 N PRO A 2 -11.781 -2.175 -12.047 1.00 41.31 N ATOM 11 CA PRO A 2 -10.557 -2.950 -12.167 1.00 65.05 C ATOM 12 C PRO A 2 -10.903 -4.393 -11.991 1.00 1.31 C ATOM 13 O PRO A 2 -11.883 -4.705 -11.294 1.00 11.24 O ATOM 14 CB PRO A 2 -9.659 -2.435 -11.024 1.00 51.40 C ATOM 15 CG PRO A 2 -10.648 -1.865 -9.981 1.00 43.40 C ATOM 16 CD PRO A 2 -11.815 -1.349 -10.840 1.00 65.35 C ATOM 0 HA PRO A 2 -10.055 -2.849 -13.129 1.00 65.05 H new ATOM 0 HB2 PRO A 2 -9.055 -3.238 -10.601 1.00 51.40 H new ATOM 0 HB3 PRO A 2 -8.968 -1.669 -11.376 1.00 51.40 H new ATOM 0 HG2 PRO A 2 -10.975 -2.630 -9.277 1.00 43.40 H new ATOM 0 HG3 PRO A 2 -10.196 -1.065 -9.395 1.00 43.40 H new ATOM 0 HD2 PRO A 2 -12.766 -1.450 -10.318 1.00 65.35 H new ATOM 0 HD3 PRO A 2 -11.694 -0.293 -11.079 1.00 65.35 H new ATOM 24 N LYS A 3 -10.145 -5.280 -12.634 1.00 3.11 N ATOM 25 CA LYS A 3 -10.451 -6.679 -12.589 1.00 24.34 C ATOM 26 C LYS A 3 -9.780 -7.219 -11.342 1.00 73.34 C ATOM 27 O LYS A 3 -8.890 -6.584 -10.771 1.00 42.51 O ATOM 28 CB LYS A 3 -9.899 -7.438 -13.814 1.00 22.24 C ATOM 29 CG LYS A 3 -10.531 -6.991 -15.137 1.00 33.40 C ATOM 30 CD LYS A 3 -9.907 -7.663 -16.365 1.00 33.14 C ATOM 31 CE LYS A 3 -10.691 -7.436 -17.671 1.00 22.34 C ATOM 32 NZ LYS A 3 -10.848 -5.999 -17.959 1.00 64.21 N ATOM 0 H LYS A 3 -9.321 -5.040 -13.186 1.00 3.11 H new ATOM 0 HA LYS A 3 -11.532 -6.816 -12.586 1.00 24.34 H new ATOM 0 HB2 LYS A 3 -8.820 -7.293 -13.867 1.00 22.24 H new ATOM 0 HB3 LYS A 3 -10.071 -8.506 -13.679 1.00 22.24 H new ATOM 0 HG2 LYS A 3 -11.598 -7.211 -15.114 1.00 33.40 H new ATOM 0 HG3 LYS A 3 -10.430 -5.910 -15.233 1.00 33.40 H new ATOM 0 HD2 LYS A 3 -8.891 -7.289 -16.494 1.00 33.14 H new ATOM 0 HD3 LYS A 3 -9.831 -8.735 -16.181 1.00 33.14 H new ATOM 0 HE2 LYS A 3 -10.172 -7.920 -18.498 1.00 22.34 H new ATOM 0 HE3 LYS A 3 -11.673 -7.903 -17.594 1.00 22.34 H new ATOM 0 HZ1 LYS A 3 -11.289 -5.878 -18.893 1.00 64.21 H new ATOM 0 HZ2 LYS A 3 -11.451 -5.563 -17.232 1.00 64.21 H new ATOM 0 HZ3 LYS A 3 -9.915 -5.540 -17.955 1.00 64.21 H new ATOM 46 N PRO A 4 -10.228 -8.388 -10.888 1.00 10.30 N ATOM 47 CA PRO A 4 -9.680 -9.029 -9.716 1.00 31.13 C ATOM 48 C PRO A 4 -8.249 -9.441 -10.004 1.00 23.41 C ATOM 49 O PRO A 4 -8.034 -10.237 -10.912 1.00 34.51 O ATOM 50 CB PRO A 4 -10.592 -10.256 -9.480 1.00 74.35 C ATOM 51 CG PRO A 4 -11.864 -9.961 -10.306 1.00 41.51 C ATOM 52 CD PRO A 4 -11.331 -9.143 -11.469 1.00 54.21 C ATOM 0 HA PRO A 4 -9.653 -8.386 -8.836 1.00 31.13 H new ATOM 0 HB2 PRO A 4 -10.110 -11.177 -9.809 1.00 74.35 H new ATOM 0 HB3 PRO A 4 -10.826 -10.379 -8.422 1.00 74.35 H new ATOM 0 HG2 PRO A 4 -12.347 -10.877 -10.645 1.00 41.51 H new ATOM 0 HG3 PRO A 4 -12.602 -9.406 -9.727 1.00 41.51 H new ATOM 0 HD2 PRO A 4 -10.992 -9.782 -12.285 1.00 54.21 H new ATOM 0 HD3 PRO A 4 -12.096 -8.483 -11.877 1.00 54.21 H new ATOM 60 N GLY A 5 -7.276 -8.911 -9.252 1.00 71.24 N ATOM 61 CA GLY A 5 -5.892 -9.306 -9.437 1.00 24.44 C ATOM 62 C GLY A 5 -5.278 -8.416 -10.473 1.00 33.24 C ATOM 63 O GLY A 5 -4.156 -8.662 -10.931 1.00 22.21 O ATOM 0 H GLY A 5 -7.428 -8.216 -8.521 1.00 71.24 H new ATOM 0 HA2 GLY A 5 -5.346 -9.225 -8.497 1.00 24.44 H new ATOM 0 HA3 GLY A 5 -5.834 -10.348 -9.751 1.00 24.44 H new ATOM 67 N ASP A 6 -6.005 -7.343 -10.884 1.00 20.12 N ATOM 68 CA ASP A 6 -5.460 -6.392 -11.843 1.00 14.43 C ATOM 69 C ASP A 6 -4.478 -5.546 -11.102 1.00 4.31 C ATOM 70 O ASP A 6 -4.733 -5.133 -9.963 1.00 62.33 O ATOM 71 CB ASP A 6 -6.532 -5.461 -12.487 1.00 23.21 C ATOM 72 CG ASP A 6 -5.924 -4.686 -13.644 1.00 41.31 C ATOM 73 OD1 ASP A 6 -5.342 -5.326 -14.548 1.00 3.52 O ATOM 74 OD2 ASP A 6 -6.064 -3.435 -13.682 1.00 61.20 O ATOM 0 H ASP A 6 -6.950 -7.132 -10.564 1.00 20.12 H new ATOM 0 HA ASP A 6 -5.014 -6.956 -12.662 1.00 14.43 H new ATOM 0 HB2 ASP A 6 -7.375 -6.054 -12.840 1.00 23.21 H new ATOM 0 HB3 ASP A 6 -6.920 -4.769 -11.740 1.00 23.21 H new ATOM 79 N ILE A 7 -3.312 -5.326 -11.712 1.00 35.01 N ATOM 80 CA ILE A 7 -2.271 -4.585 -11.094 1.00 60.23 C ATOM 81 C ILE A 7 -2.360 -3.200 -11.652 1.00 41.12 C ATOM 82 O ILE A 7 -2.452 -3.022 -12.878 1.00 71.23 O ATOM 83 CB ILE A 7 -0.901 -5.145 -11.421 1.00 50.20 C ATOM 84 CG1 ILE A 7 -0.868 -6.683 -11.254 1.00 74.33 C ATOM 85 CG2 ILE A 7 0.151 -4.369 -10.617 1.00 5.53 C ATOM 86 CD1 ILE A 7 -1.165 -7.123 -9.863 1.00 70.10 C ATOM 0 H ILE A 7 -3.087 -5.666 -12.647 1.00 35.01 H new ATOM 0 HA ILE A 7 -2.388 -4.621 -10.011 1.00 60.23 H new ATOM 0 HB ILE A 7 -0.656 -4.998 -12.473 1.00 50.20 H new ATOM 0 HG12 ILE A 7 -1.592 -7.132 -11.934 1.00 74.33 H new ATOM 0 HG13 ILE A 7 0.115 -7.054 -11.544 1.00 74.33 H new ATOM 0 HG21 ILE A 7 1.143 -4.761 -10.842 1.00 5.53 H new ATOM 0 HG22 ILE A 7 0.108 -3.313 -10.886 1.00 5.53 H new ATOM 0 HG23 ILE A 7 -0.050 -4.481 -9.552 1.00 5.53 H new ATOM 0 HD11 ILE A 7 -1.127 -8.211 -9.810 1.00 70.10 H new ATOM 0 HD12 ILE A 7 -0.426 -6.700 -9.182 1.00 70.10 H new ATOM 0 HD13 ILE A 7 -2.160 -6.780 -9.578 1.00 70.10 H new ATOM 98 N PHE A 8 -2.365 -2.191 -10.779 1.00 24.11 N ATOM 99 CA PHE A 8 -2.492 -0.837 -11.238 1.00 24.51 C ATOM 100 C PHE A 8 -1.609 0.022 -10.395 1.00 54.44 C ATOM 101 O PHE A 8 -1.264 -0.328 -9.262 1.00 15.12 O ATOM 102 CB PHE A 8 -3.961 -0.259 -11.264 1.00 64.53 C ATOM 103 CG PHE A 8 -4.649 -0.363 -9.907 1.00 1.41 C ATOM 104 CD1 PHE A 8 -4.901 -1.623 -9.295 1.00 41.12 C ATOM 105 CD2 PHE A 8 -5.100 0.809 -9.243 1.00 43.31 C ATOM 106 CE1 PHE A 8 -5.552 -1.701 -8.060 1.00 32.02 C ATOM 107 CE2 PHE A 8 -5.788 0.719 -8.014 1.00 12.22 C ATOM 108 CZ PHE A 8 -6.004 -0.533 -7.421 1.00 71.33 C ATOM 0 H PHE A 8 -2.283 -2.298 -9.768 1.00 24.11 H new ATOM 0 HA PHE A 8 -2.190 -0.835 -12.285 1.00 24.51 H new ATOM 0 HB2 PHE A 8 -3.933 0.785 -11.575 1.00 64.53 H new ATOM 0 HB3 PHE A 8 -4.548 -0.797 -12.008 1.00 64.53 H new ATOM 0 HD1 PHE A 8 -4.586 -2.529 -9.790 1.00 41.12 H new ATOM 0 HD2 PHE A 8 -4.915 1.778 -9.683 1.00 43.31 H new ATOM 0 HE1 PHE A 8 -5.708 -2.663 -7.595 1.00 32.02 H new ATOM 0 HE2 PHE A 8 -6.148 1.615 -7.530 1.00 12.22 H new ATOM 0 HZ PHE A 8 -6.518 -0.600 -6.473 1.00 71.33 H new ATOM 118 N GLU A 9 -1.179 1.148 -10.985 1.00 55.33 N ATOM 119 CA GLU A 9 -0.302 2.076 -10.324 1.00 12.42 C ATOM 120 C GLU A 9 -1.150 3.251 -10.010 1.00 22.03 C ATOM 121 O GLU A 9 -2.016 3.616 -10.809 1.00 31.35 O ATOM 122 CB GLU A 9 0.850 2.613 -11.235 1.00 64.21 C ATOM 123 CG GLU A 9 1.728 1.534 -11.920 1.00 54.24 C ATOM 124 CD GLU A 9 0.950 0.869 -13.025 1.00 63.14 C ATOM 125 OE1 GLU A 9 0.356 1.593 -13.856 1.00 65.02 O ATOM 126 OE2 GLU A 9 0.931 -0.374 -13.081 1.00 21.52 O ATOM 0 H GLU A 9 -1.439 1.424 -11.932 1.00 55.33 H new ATOM 0 HA GLU A 9 0.155 1.573 -9.472 1.00 12.42 H new ATOM 0 HB2 GLU A 9 0.412 3.243 -12.009 1.00 64.21 H new ATOM 0 HB3 GLU A 9 1.496 3.251 -10.633 1.00 64.21 H new ATOM 0 HG2 GLU A 9 2.632 1.990 -12.323 1.00 54.24 H new ATOM 0 HG3 GLU A 9 2.045 0.791 -11.188 1.00 54.24 H new ATOM 133 N VAL A 10 -0.922 3.902 -8.867 1.00 13.23 N ATOM 134 CA VAL A 10 -1.665 5.086 -8.566 1.00 33.32 C ATOM 135 C VAL A 10 -0.732 6.030 -7.915 1.00 61.41 C ATOM 136 O VAL A 10 0.273 5.625 -7.302 1.00 35.32 O ATOM 137 CB VAL A 10 -2.867 4.882 -7.657 1.00 53.21 C ATOM 138 CG1 VAL A 10 -3.875 3.986 -8.403 1.00 53.43 C ATOM 139 CG2 VAL A 10 -2.398 4.298 -6.298 1.00 64.24 C ATOM 0 H VAL A 10 -0.241 3.623 -8.161 1.00 13.23 H new ATOM 0 HA VAL A 10 -2.075 5.454 -9.507 1.00 33.32 H new ATOM 0 HB VAL A 10 -3.367 5.821 -7.422 1.00 53.21 H new ATOM 0 HG11 VAL A 10 -4.750 3.821 -7.774 1.00 53.43 H new ATOM 0 HG12 VAL A 10 -4.180 4.474 -9.329 1.00 53.43 H new ATOM 0 HG13 VAL A 10 -3.409 3.028 -8.634 1.00 53.43 H new ATOM 0 HG21 VAL A 10 -3.260 4.152 -5.648 1.00 64.24 H new ATOM 0 HG22 VAL A 10 -1.903 3.341 -6.464 1.00 64.24 H new ATOM 0 HG23 VAL A 10 -1.700 4.990 -5.826 1.00 64.24 H new ATOM 149 N GLU A 11 -1.041 7.312 -8.050 1.00 44.42 N ATOM 150 CA GLU A 11 -0.356 8.325 -7.330 1.00 20.44 C ATOM 151 C GLU A 11 -1.342 8.880 -6.373 1.00 12.33 C ATOM 152 O GLU A 11 -2.498 9.161 -6.728 1.00 25.23 O ATOM 153 CB GLU A 11 0.196 9.456 -8.224 1.00 64.24 C ATOM 154 CG GLU A 11 -0.797 9.996 -9.254 1.00 44.10 C ATOM 155 CD GLU A 11 -0.122 11.105 -10.014 1.00 23.30 C ATOM 156 OE1 GLU A 11 0.895 10.830 -10.698 1.00 1.11 O ATOM 157 OE2 GLU A 11 -0.599 12.251 -9.945 1.00 22.02 O ATOM 0 H GLU A 11 -1.776 7.658 -8.666 1.00 44.42 H new ATOM 0 HA GLU A 11 0.517 7.891 -6.843 1.00 20.44 H new ATOM 0 HB2 GLU A 11 0.522 10.278 -7.587 1.00 64.24 H new ATOM 0 HB3 GLU A 11 1.079 9.089 -8.748 1.00 64.24 H new ATOM 0 HG2 GLU A 11 -1.110 9.203 -9.934 1.00 44.10 H new ATOM 0 HG3 GLU A 11 -1.696 10.365 -8.760 1.00 44.10 H new ATOM 164 N LEU A 12 -0.932 8.981 -5.110 1.00 3.44 N ATOM 165 CA LEU A 12 -1.821 9.430 -4.105 1.00 42.35 C ATOM 166 C LEU A 12 -1.077 10.412 -3.280 1.00 42.33 C ATOM 167 O LEU A 12 0.069 10.177 -2.913 1.00 41.22 O ATOM 168 CB LEU A 12 -2.309 8.278 -3.212 1.00 32.12 C ATOM 169 CG LEU A 12 -3.809 8.291 -2.982 1.00 12.35 C ATOM 170 CD1 LEU A 12 -4.304 6.906 -2.666 1.00 75.22 C ATOM 171 CD2 LEU A 12 -4.246 9.331 -1.947 1.00 20.22 C ATOM 0 H LEU A 12 0.008 8.754 -4.785 1.00 3.44 H new ATOM 0 HA LEU A 12 -2.704 9.870 -4.569 1.00 42.35 H new ATOM 0 HB2 LEU A 12 -2.027 7.329 -3.668 1.00 32.12 H new ATOM 0 HB3 LEU A 12 -1.800 8.333 -2.250 1.00 32.12 H new ATOM 0 HG LEU A 12 -4.282 8.607 -3.912 1.00 12.35 H new ATOM 0 HD11 LEU A 12 -5.382 6.933 -2.504 1.00 75.22 H new ATOM 0 HD12 LEU A 12 -4.079 6.240 -3.499 1.00 75.22 H new ATOM 0 HD13 LEU A 12 -3.811 6.540 -1.766 1.00 75.22 H new ATOM 0 HD21 LEU A 12 -5.329 9.292 -1.826 1.00 20.22 H new ATOM 0 HD22 LEU A 12 -3.767 9.117 -0.992 1.00 20.22 H new ATOM 0 HD23 LEU A 12 -3.954 10.325 -2.285 1.00 20.22 H new ATOM 183 N ALA A 13 -1.717 11.552 -2.987 1.00 2.22 N ATOM 184 CA ALA A 13 -1.106 12.566 -2.200 1.00 72.42 C ATOM 185 C ALA A 13 -1.361 12.180 -0.797 1.00 3.21 C ATOM 186 O ALA A 13 -2.399 11.667 -0.487 1.00 12.53 O ATOM 187 CB ALA A 13 -1.712 13.961 -2.414 1.00 31.54 C ATOM 0 H ALA A 13 -2.663 11.771 -3.298 1.00 2.22 H new ATOM 0 HA ALA A 13 -0.053 12.636 -2.471 1.00 72.42 H new ATOM 0 HB1 ALA A 13 -1.196 14.683 -1.781 1.00 31.54 H new ATOM 0 HB2 ALA A 13 -1.600 14.250 -3.459 1.00 31.54 H new ATOM 0 HB3 ALA A 13 -2.770 13.942 -2.154 1.00 31.54 H new ATOM 193 N LYS A 14 -0.387 12.395 0.067 1.00 54.41 N ATOM 194 CA LYS A 14 -0.531 12.043 1.468 1.00 53.02 C ATOM 195 C LYS A 14 -1.422 13.066 2.120 1.00 23.25 C ATOM 196 O LYS A 14 -2.179 12.749 3.022 1.00 71.12 O ATOM 197 CB LYS A 14 0.831 12.039 2.166 1.00 34.34 C ATOM 198 CG LYS A 14 1.735 10.957 1.582 1.00 73.40 C ATOM 199 CD LYS A 14 3.214 11.232 1.646 1.00 54.03 C ATOM 200 CE LYS A 14 3.844 11.129 3.025 1.00 44.52 C ATOM 201 NZ LYS A 14 5.304 11.216 2.895 1.00 71.14 N ATOM 0 H LYS A 14 0.512 12.811 -0.176 1.00 54.41 H new ATOM 0 HA LYS A 14 -0.962 11.045 1.550 1.00 53.02 H new ATOM 0 HB2 LYS A 14 1.305 13.014 2.055 1.00 34.34 H new ATOM 0 HB3 LYS A 14 0.697 11.870 3.234 1.00 34.34 H new ATOM 0 HG2 LYS A 14 1.536 10.022 2.106 1.00 73.40 H new ATOM 0 HG3 LYS A 14 1.458 10.803 0.539 1.00 73.40 H new ATOM 0 HD2 LYS A 14 3.724 10.535 0.981 1.00 54.03 H new ATOM 0 HD3 LYS A 14 3.396 12.234 1.258 1.00 54.03 H new ATOM 0 HE2 LYS A 14 3.476 11.929 3.667 1.00 44.52 H new ATOM 0 HE3 LYS A 14 3.564 10.187 3.497 1.00 44.52 H new ATOM 0 HZ1 LYS A 14 5.730 10.299 3.140 1.00 71.14 H new ATOM 0 HZ2 LYS A 14 5.551 11.462 1.915 1.00 71.14 H new ATOM 0 HZ3 LYS A 14 5.667 11.949 3.538 1.00 71.14 H new ATOM 215 N ASN A 15 -1.352 14.318 1.617 1.00 74.31 N ATOM 216 CA ASN A 15 -2.106 15.458 2.175 1.00 72.21 C ATOM 217 C ASN A 15 -1.553 15.796 3.546 1.00 1.32 C ATOM 218 O ASN A 15 -1.704 15.028 4.506 1.00 13.12 O ATOM 219 CB ASN A 15 -3.650 15.253 2.275 1.00 62.42 C ATOM 220 CG ASN A 15 -4.316 16.575 2.674 1.00 71.24 C ATOM 221 OD1 ASN A 15 -4.849 16.707 3.772 1.00 14.12 O ATOM 222 ND2 ASN A 15 -4.287 17.567 1.769 1.00 63.04 N ATOM 0 H ASN A 15 -0.772 14.565 0.815 1.00 74.31 H new ATOM 0 HA ASN A 15 -1.969 16.275 1.467 1.00 72.21 H new ATOM 0 HB2 ASN A 15 -4.045 14.909 1.319 1.00 62.42 H new ATOM 0 HB3 ASN A 15 -3.878 14.482 3.011 1.00 62.42 H new ATOM 0 HD21 ASN A 15 -4.717 18.466 1.984 1.00 63.04 H new ATOM 0 HD22 ASN A 15 -3.835 17.421 0.866 1.00 63.04 H new ATOM 229 N ASP A 16 -0.873 16.977 3.657 1.00 44.12 N ATOM 230 CA ASP A 16 -0.215 17.418 4.909 1.00 21.41 C ATOM 231 C ASP A 16 0.794 16.363 5.303 1.00 22.42 C ATOM 232 O ASP A 16 1.069 16.131 6.484 1.00 22.03 O ATOM 233 CB ASP A 16 -1.216 17.674 6.080 1.00 35.41 C ATOM 234 CG ASP A 16 -0.482 18.256 7.276 1.00 72.41 C ATOM 235 OD1 ASP A 16 0.282 19.238 7.091 1.00 73.33 O ATOM 236 OD2 ASP A 16 -0.664 17.739 8.405 1.00 63.41 O ATOM 0 H ASP A 16 -0.771 17.637 2.886 1.00 44.12 H new ATOM 0 HA ASP A 16 0.267 18.377 4.718 1.00 21.41 H new ATOM 0 HB2 ASP A 16 -2.000 18.359 5.756 1.00 35.41 H new ATOM 0 HB3 ASP A 16 -1.704 16.741 6.362 1.00 35.41 H new ATOM 241 N ASN A 17 1.371 15.714 4.267 1.00 4.22 N ATOM 242 CA ASN A 17 2.301 14.581 4.375 1.00 54.03 C ATOM 243 C ASN A 17 1.874 13.548 5.405 1.00 23.20 C ATOM 244 O ASN A 17 2.696 12.746 5.839 1.00 34.30 O ATOM 245 CB ASN A 17 3.779 14.985 4.618 1.00 35.31 C ATOM 246 CG ASN A 17 4.233 15.828 3.422 1.00 62.31 C ATOM 247 OD1 ASN A 17 4.122 15.402 2.262 1.00 23.33 O ATOM 248 ND2 ASN A 17 4.740 17.040 3.680 1.00 40.23 N ATOM 0 H ASN A 17 1.191 15.979 3.299 1.00 4.22 H new ATOM 0 HA ASN A 17 2.250 14.124 3.387 1.00 54.03 H new ATOM 0 HB2 ASN A 17 3.873 15.552 5.544 1.00 35.31 H new ATOM 0 HB3 ASN A 17 4.406 14.099 4.722 1.00 35.31 H new ATOM 0 HD21 ASN A 17 5.047 17.638 2.913 1.00 40.23 H new ATOM 0 HD22 ASN A 17 4.820 17.365 4.644 1.00 40.23 H new ATOM 255 N SER A 18 0.586 13.523 5.816 1.00 31.05 N ATOM 256 CA SER A 18 0.162 12.613 6.829 1.00 31.41 C ATOM 257 C SER A 18 -0.277 11.373 6.119 1.00 65.53 C ATOM 258 O SER A 18 -1.172 11.411 5.283 1.00 52.03 O ATOM 259 CB SER A 18 -1.020 13.180 7.679 1.00 50.02 C ATOM 260 OG SER A 18 -1.213 12.440 8.890 1.00 40.54 O ATOM 0 H SER A 18 -0.149 14.128 5.448 1.00 31.05 H new ATOM 0 HA SER A 18 0.980 12.427 7.525 1.00 31.41 H new ATOM 0 HB2 SER A 18 -0.825 14.225 7.920 1.00 50.02 H new ATOM 0 HB3 SER A 18 -1.936 13.155 7.089 1.00 50.02 H new ATOM 0 HG SER A 18 -1.959 12.826 9.394 1.00 40.54 H new ATOM 266 N LEU A 19 0.383 10.258 6.415 1.00 41.22 N ATOM 267 CA LEU A 19 0.049 8.999 5.820 1.00 43.22 C ATOM 268 C LEU A 19 -0.506 8.223 6.970 1.00 31.13 C ATOM 269 O LEU A 19 -1.158 8.794 7.844 1.00 63.13 O ATOM 270 CB LEU A 19 1.326 8.291 5.225 1.00 30.12 C ATOM 271 CG LEU A 19 1.112 7.309 4.022 1.00 12.11 C ATOM 272 CD1 LEU A 19 0.949 5.846 4.427 1.00 22.50 C ATOM 273 CD2 LEU A 19 0.036 7.770 3.016 1.00 14.20 C ATOM 0 H LEU A 19 1.160 10.217 7.074 1.00 41.22 H new ATOM 0 HA LEU A 19 -0.645 9.091 4.985 1.00 43.22 H new ATOM 0 HB2 LEU A 19 2.023 9.066 4.907 1.00 30.12 H new ATOM 0 HB3 LEU A 19 1.810 7.737 6.030 1.00 30.12 H new ATOM 0 HG LEU A 19 2.058 7.356 3.482 1.00 12.11 H new ATOM 0 HD11 LEU A 19 0.806 5.235 3.535 1.00 22.50 H new ATOM 0 HD12 LEU A 19 1.842 5.513 4.955 1.00 22.50 H new ATOM 0 HD13 LEU A 19 0.082 5.744 5.080 1.00 22.50 H new ATOM 0 HD21 LEU A 19 -0.051 7.036 2.215 1.00 14.20 H new ATOM 0 HD22 LEU A 19 -0.922 7.865 3.526 1.00 14.20 H new ATOM 0 HD23 LEU A 19 0.320 8.735 2.596 1.00 14.20 H new ATOM 285 N GLY A 20 -0.252 6.938 7.030 1.00 64.12 N ATOM 286 CA GLY A 20 -0.665 6.163 8.172 1.00 74.24 C ATOM 287 C GLY A 20 -1.858 5.400 7.762 1.00 0.04 C ATOM 288 O GLY A 20 -2.955 5.611 8.274 1.00 24.53 O ATOM 0 H GLY A 20 0.236 6.411 6.306 1.00 64.12 H new ATOM 0 HA2 GLY A 20 0.132 5.492 8.492 1.00 74.24 H new ATOM 0 HA3 GLY A 20 -0.893 6.812 9.017 1.00 74.24 H new ATOM 292 N ILE A 21 -1.666 4.455 6.820 1.00 12.11 N ATOM 293 CA ILE A 21 -2.714 3.518 6.487 1.00 10.31 C ATOM 294 C ILE A 21 -2.458 2.386 7.454 1.00 44.35 C ATOM 295 O ILE A 21 -1.488 2.449 8.217 1.00 44.04 O ATOM 296 CB ILE A 21 -2.700 2.984 5.032 1.00 33.15 C ATOM 297 CG1 ILE A 21 -2.131 4.025 4.040 1.00 24.53 C ATOM 298 CG2 ILE A 21 -4.136 2.577 4.648 1.00 43.43 C ATOM 299 CD1 ILE A 21 -2.912 5.346 3.997 1.00 55.31 C ATOM 0 H ILE A 21 -0.801 4.335 6.293 1.00 12.11 H new ATOM 0 HA ILE A 21 -3.690 3.999 6.561 1.00 10.31 H new ATOM 0 HB ILE A 21 -2.041 2.117 4.977 1.00 33.15 H new ATOM 0 HG12 ILE A 21 -1.096 4.237 4.307 1.00 24.53 H new ATOM 0 HG13 ILE A 21 -2.120 3.590 3.041 1.00 24.53 H new ATOM 0 HG21 ILE A 21 -4.146 2.198 3.626 1.00 43.43 H new ATOM 0 HG22 ILE A 21 -4.488 1.800 5.326 1.00 43.43 H new ATOM 0 HG23 ILE A 21 -4.792 3.445 4.720 1.00 43.43 H new ATOM 0 HD11 ILE A 21 -2.448 6.020 3.277 1.00 55.31 H new ATOM 0 HD12 ILE A 21 -3.942 5.150 3.699 1.00 55.31 H new ATOM 0 HD13 ILE A 21 -2.902 5.807 4.985 1.00 55.31 H new ATOM 311 N CYS A 22 -3.287 1.338 7.467 1.00 15.21 N ATOM 312 CA CYS A 22 -2.956 0.247 8.383 1.00 34.24 C ATOM 313 C CYS A 22 -2.842 -0.943 7.500 1.00 50.40 C ATOM 314 O CYS A 22 -3.290 -0.926 6.359 1.00 25.22 O ATOM 315 CB CYS A 22 -4.105 -0.041 9.393 1.00 52.24 C ATOM 316 SG CYS A 22 -4.892 1.481 10.064 1.00 61.43 S ATOM 0 H CYS A 22 -4.128 1.223 6.901 1.00 15.21 H new ATOM 0 HA CYS A 22 -2.062 0.488 8.958 1.00 34.24 H new ATOM 0 HB2 CYS A 22 -4.866 -0.648 8.902 1.00 52.24 H new ATOM 0 HB3 CYS A 22 -3.711 -0.632 10.220 1.00 52.24 H new ATOM 321 N VAL A 23 -2.062 -1.937 7.940 1.00 61.30 N ATOM 322 CA VAL A 23 -1.672 -2.982 7.043 1.00 52.15 C ATOM 323 C VAL A 23 -1.510 -4.231 7.853 1.00 43.32 C ATOM 324 O VAL A 23 -1.647 -4.217 9.080 1.00 24.23 O ATOM 325 CB VAL A 23 -0.360 -2.707 6.269 1.00 34.42 C ATOM 326 CG1 VAL A 23 -0.561 -1.501 5.318 1.00 51.24 C ATOM 327 CG2 VAL A 23 0.807 -2.497 7.258 1.00 40.44 C ATOM 0 H VAL A 23 -1.706 -2.023 8.892 1.00 61.30 H new ATOM 0 HA VAL A 23 -2.449 -3.066 6.284 1.00 52.15 H new ATOM 0 HB VAL A 23 -0.101 -3.568 5.653 1.00 34.42 H new ATOM 0 HG11 VAL A 23 0.364 -1.309 4.774 1.00 51.24 H new ATOM 0 HG12 VAL A 23 -1.359 -1.725 4.610 1.00 51.24 H new ATOM 0 HG13 VAL A 23 -0.829 -0.619 5.900 1.00 51.24 H new ATOM 0 HG21 VAL A 23 1.725 -2.304 6.702 1.00 40.44 H new ATOM 0 HG22 VAL A 23 0.588 -1.646 7.903 1.00 40.44 H new ATOM 0 HG23 VAL A 23 0.933 -3.392 7.867 1.00 40.44 H new ATOM 337 N THR A 24 -1.217 -5.334 7.167 1.00 23.54 N ATOM 338 CA THR A 24 -0.983 -6.577 7.819 1.00 43.20 C ATOM 339 C THR A 24 -0.248 -7.427 6.800 1.00 71.31 C ATOM 340 O THR A 24 -0.195 -7.063 5.625 1.00 52.31 O ATOM 341 CB THR A 24 -2.274 -7.263 8.321 1.00 44.32 C ATOM 342 OG1 THR A 24 -1.998 -8.477 9.028 1.00 11.12 O ATOM 343 CG2 THR A 24 -3.255 -7.511 7.148 1.00 31.11 C ATOM 0 H THR A 24 -1.140 -5.370 6.151 1.00 23.54 H new ATOM 0 HA THR A 24 -0.401 -6.429 8.729 1.00 43.20 H new ATOM 0 HB THR A 24 -2.749 -6.584 9.029 1.00 44.32 H new ATOM 0 HG1 THR A 24 -2.840 -8.878 9.330 1.00 11.12 H new ATOM 0 HG21 THR A 24 -4.157 -7.995 7.524 1.00 31.11 H new ATOM 0 HG22 THR A 24 -3.519 -6.559 6.687 1.00 31.11 H new ATOM 0 HG23 THR A 24 -2.781 -8.154 6.407 1.00 31.11 H new ATOM 351 N GLY A 25 0.357 -8.554 7.245 1.00 32.43 N ATOM 352 CA GLY A 25 1.107 -9.421 6.353 1.00 45.13 C ATOM 353 C GLY A 25 2.530 -8.989 6.363 1.00 22.30 C ATOM 354 O GLY A 25 2.968 -8.303 7.295 1.00 34.20 O ATOM 0 H GLY A 25 0.331 -8.869 8.215 1.00 32.43 H new ATOM 0 HA2 GLY A 25 1.024 -10.459 6.675 1.00 45.13 H new ATOM 0 HA3 GLY A 25 0.702 -9.367 5.343 1.00 45.13 H new ATOM 358 N GLY A 26 3.294 -9.356 5.300 1.00 33.44 N ATOM 359 CA GLY A 26 4.638 -8.853 5.153 1.00 62.04 C ATOM 360 C GLY A 26 5.549 -9.985 4.842 1.00 61.13 C ATOM 361 O GLY A 26 5.728 -10.347 3.686 1.00 63.44 O ATOM 0 H GLY A 26 2.988 -9.987 4.559 1.00 33.44 H new ATOM 0 HA2 GLY A 26 4.676 -8.110 4.357 1.00 62.04 H new ATOM 0 HA3 GLY A 26 4.956 -8.355 6.069 1.00 62.04 H new ATOM 365 N VAL A 27 6.181 -10.528 5.908 1.00 35.10 N ATOM 366 CA VAL A 27 7.341 -11.436 5.817 1.00 1.20 C ATOM 367 C VAL A 27 7.005 -12.817 5.213 1.00 3.25 C ATOM 368 O VAL A 27 7.754 -13.763 5.401 1.00 34.11 O ATOM 369 CB VAL A 27 8.103 -11.612 7.127 1.00 63.43 C ATOM 370 CG1 VAL A 27 9.614 -11.595 6.793 1.00 62.14 C ATOM 371 CG2 VAL A 27 7.676 -10.508 8.116 1.00 12.22 C ATOM 0 H VAL A 27 5.893 -10.343 6.869 1.00 35.10 H new ATOM 0 HA VAL A 27 8.003 -10.918 5.122 1.00 1.20 H new ATOM 0 HB VAL A 27 7.878 -12.560 7.615 1.00 63.43 H new ATOM 0 HG11 VAL A 27 10.191 -11.719 7.710 1.00 62.14 H new ATOM 0 HG12 VAL A 27 9.844 -12.410 6.107 1.00 62.14 H new ATOM 0 HG13 VAL A 27 9.873 -10.644 6.327 1.00 62.14 H new ATOM 0 HG21 VAL A 27 8.218 -10.630 9.054 1.00 12.22 H new ATOM 0 HG22 VAL A 27 7.903 -9.531 7.690 1.00 12.22 H new ATOM 0 HG23 VAL A 27 6.605 -10.582 8.304 1.00 12.22 H new ATOM 381 N ASN A 28 5.858 -12.938 4.530 1.00 12.25 N ATOM 382 CA ASN A 28 5.403 -14.198 3.850 1.00 12.20 C ATOM 383 C ASN A 28 4.688 -15.038 4.844 1.00 61.34 C ATOM 384 O ASN A 28 4.261 -16.163 4.542 1.00 74.52 O ATOM 385 CB ASN A 28 6.489 -15.061 3.127 1.00 42.23 C ATOM 386 CG ASN A 28 7.170 -14.198 2.069 1.00 65.01 C ATOM 387 OD1 ASN A 28 6.549 -13.313 1.479 1.00 65.10 O ATOM 388 ND2 ASN A 28 8.470 -14.445 1.818 1.00 22.42 N ATOM 0 H ASN A 28 5.200 -12.166 4.422 1.00 12.25 H new ATOM 0 HA ASN A 28 4.766 -13.854 3.035 1.00 12.20 H new ATOM 0 HB2 ASN A 28 7.222 -15.427 3.846 1.00 42.23 H new ATOM 0 HB3 ASN A 28 6.031 -15.936 2.665 1.00 42.23 H new ATOM 0 HD21 ASN A 28 8.969 -13.891 1.122 1.00 22.42 H new ATOM 0 HD22 ASN A 28 8.955 -15.186 2.324 1.00 22.42 H new ATOM 395 N THR A 29 4.503 -14.450 6.034 1.00 40.44 N ATOM 396 CA THR A 29 3.544 -14.835 7.066 1.00 21.21 C ATOM 397 C THR A 29 2.143 -15.199 6.473 1.00 41.41 C ATOM 398 O THR A 29 1.977 -15.396 5.280 1.00 63.44 O ATOM 399 CB THR A 29 3.420 -13.748 8.135 1.00 71.03 C ATOM 400 OG1 THR A 29 3.065 -12.487 7.536 1.00 43.42 O ATOM 401 CG2 THR A 29 4.806 -13.598 8.806 1.00 25.21 C ATOM 0 H THR A 29 5.057 -13.641 6.315 1.00 40.44 H new ATOM 0 HA THR A 29 3.934 -15.738 7.537 1.00 21.21 H new ATOM 0 HB THR A 29 2.649 -14.024 8.854 1.00 71.03 H new ATOM 0 HG1 THR A 29 2.988 -11.803 8.234 1.00 43.42 H new ATOM 0 HG21 THR A 29 4.756 -12.829 9.577 1.00 25.21 H new ATOM 0 HG22 THR A 29 5.096 -14.546 9.258 1.00 25.21 H new ATOM 0 HG23 THR A 29 5.544 -13.313 8.056 1.00 25.21 H new ATOM 409 N SER A 30 1.135 -15.352 7.367 1.00 3.11 N ATOM 410 CA SER A 30 -0.215 -15.848 7.046 1.00 21.03 C ATOM 411 C SER A 30 -0.771 -15.297 5.727 1.00 24.43 C ATOM 412 O SER A 30 -1.502 -15.999 5.023 1.00 0.51 O ATOM 413 CB SER A 30 -1.213 -15.515 8.171 1.00 44.01 C ATOM 414 OG SER A 30 -0.646 -15.895 9.433 1.00 15.23 O ATOM 0 H SER A 30 1.247 -15.126 8.355 1.00 3.11 H new ATOM 0 HA SER A 30 -0.103 -16.927 6.942 1.00 21.03 H new ATOM 0 HB2 SER A 30 -1.441 -14.449 8.167 1.00 44.01 H new ATOM 0 HB3 SER A 30 -2.153 -16.042 8.008 1.00 44.01 H new ATOM 0 HG SER A 30 -1.277 -15.683 10.152 1.00 15.23 H new ATOM 420 N VAL A 31 -0.429 -14.044 5.354 1.00 0.34 N ATOM 421 CA VAL A 31 -0.948 -13.466 4.136 1.00 12.30 C ATOM 422 C VAL A 31 -0.487 -14.285 2.917 1.00 4.33 C ATOM 423 O VAL A 31 0.685 -14.619 2.751 1.00 21.30 O ATOM 424 CB VAL A 31 -0.583 -12.019 3.935 1.00 40.12 C ATOM 425 CG1 VAL A 31 -1.424 -11.174 4.916 1.00 53.11 C ATOM 426 CG2 VAL A 31 0.946 -11.856 4.118 1.00 73.43 C ATOM 0 H VAL A 31 0.196 -13.436 5.883 1.00 0.34 H new ATOM 0 HA VAL A 31 -2.033 -13.501 4.235 1.00 12.30 H new ATOM 0 HB VAL A 31 -0.810 -11.669 2.928 1.00 40.12 H new ATOM 0 HG11 VAL A 31 -1.178 -10.119 4.791 1.00 53.11 H new ATOM 0 HG12 VAL A 31 -2.484 -11.327 4.712 1.00 53.11 H new ATOM 0 HG13 VAL A 31 -1.204 -11.479 5.939 1.00 53.11 H new ATOM 0 HG21 VAL A 31 1.220 -10.811 3.974 1.00 73.43 H new ATOM 0 HG22 VAL A 31 1.228 -12.170 5.123 1.00 73.43 H new ATOM 0 HG23 VAL A 31 1.468 -12.472 3.386 1.00 73.43 H new ATOM 436 N ARG A 32 -1.473 -14.629 2.090 1.00 61.23 N ATOM 437 CA ARG A 32 -1.319 -15.466 0.919 1.00 74.01 C ATOM 438 C ARG A 32 -0.189 -14.972 0.025 1.00 12.42 C ATOM 439 O ARG A 32 0.790 -15.664 -0.165 1.00 63.45 O ATOM 440 CB ARG A 32 -2.620 -15.519 0.112 1.00 10.11 C ATOM 441 CG ARG A 32 -2.590 -16.412 -1.111 1.00 63.32 C ATOM 442 CD ARG A 32 -3.981 -16.553 -1.726 1.00 34.04 C ATOM 443 NE ARG A 32 -3.875 -17.265 -3.028 1.00 0.14 N ATOM 444 CZ ARG A 32 -4.996 -17.769 -3.650 1.00 15.42 C ATOM 445 NH1 ARG A 32 -6.215 -17.774 -3.000 1.00 15.01 N ATOM 446 NH2 ARG A 32 -4.895 -18.250 -4.912 1.00 12.43 N ATOM 0 H ARG A 32 -2.434 -14.317 2.229 1.00 61.23 H new ATOM 0 HA ARG A 32 -1.072 -16.468 1.271 1.00 74.01 H new ATOM 0 HB2 ARG A 32 -3.421 -15.858 0.769 1.00 10.11 H new ATOM 0 HB3 ARG A 32 -2.873 -14.507 -0.204 1.00 10.11 H new ATOM 0 HG2 ARG A 32 -1.903 -15.999 -1.850 1.00 63.32 H new ATOM 0 HG3 ARG A 32 -2.209 -17.396 -0.837 1.00 63.32 H new ATOM 0 HD2 ARG A 32 -4.636 -17.103 -1.050 1.00 34.04 H new ATOM 0 HD3 ARG A 32 -4.428 -15.570 -1.872 1.00 34.04 H new ATOM 0 HE ARG A 32 -2.961 -17.381 -3.465 1.00 0.14 H new ATOM 0 HH11 ARG A 32 -6.289 -17.403 -2.053 1.00 15.01 H new ATOM 0 HH12 ARG A 32 -7.041 -18.149 -3.467 1.00 15.01 H new ATOM 0 HH21 ARG A 32 -3.995 -18.237 -5.392 1.00 12.43 H new ATOM 0 HH22 ARG A 32 -5.719 -18.626 -5.382 1.00 12.43 H new ATOM 460 N HIS A 33 -0.327 -13.768 -0.564 1.00 10.05 N ATOM 461 CA HIS A 33 0.633 -13.315 -1.592 1.00 21.33 C ATOM 462 C HIS A 33 1.857 -12.681 -0.942 1.00 52.15 C ATOM 463 O HIS A 33 2.609 -11.988 -1.610 1.00 43.23 O ATOM 464 CB HIS A 33 0.052 -12.292 -2.593 1.00 25.51 C ATOM 465 CG HIS A 33 -1.070 -12.823 -3.438 1.00 2.31 C ATOM 466 ND1 HIS A 33 -1.916 -12.002 -4.156 1.00 72.31 N ATOM 467 CD2 HIS A 33 -1.400 -14.088 -3.738 1.00 52.23 C ATOM 468 CE1 HIS A 33 -2.737 -12.768 -4.849 1.00 14.11 C ATOM 469 NE2 HIS A 33 -2.432 -14.036 -4.617 1.00 51.44 N ATOM 0 H HIS A 33 -1.074 -13.106 -0.354 1.00 10.05 H new ATOM 0 HA HIS A 33 0.893 -14.217 -2.146 1.00 21.33 H new ATOM 0 HB2 HIS A 33 -0.305 -11.423 -2.040 1.00 25.51 H new ATOM 0 HB3 HIS A 33 0.852 -11.947 -3.248 1.00 25.51 H new ATOM 0 HD1 HIS A 33 -1.908 -10.982 -4.152 1.00 72.31 H new ATOM 0 HD2 HIS A 33 -0.932 -14.981 -3.352 1.00 52.23 H new ATOM 0 HE1 HIS A 33 -3.527 -12.419 -5.498 1.00 14.11 H new ATOM 0 HE2 HIS A 33 -2.898 -14.843 -5.032 1.00 51.44 H new ATOM 478 N GLY A 34 2.063 -12.926 0.377 1.00 34.13 N ATOM 479 CA GLY A 34 3.275 -12.470 1.112 1.00 1.30 C ATOM 480 C GLY A 34 3.580 -11.018 0.824 1.00 62.03 C ATOM 481 O GLY A 34 4.590 -10.691 0.212 1.00 24.44 O ATOM 0 H GLY A 34 1.401 -13.440 0.958 1.00 34.13 H new ATOM 0 HA2 GLY A 34 3.126 -12.607 2.183 1.00 1.30 H new ATOM 0 HA3 GLY A 34 4.128 -13.086 0.828 1.00 1.30 H new ATOM 485 N GLY A 35 2.705 -10.120 1.240 1.00 21.50 N ATOM 486 CA GLY A 35 2.904 -8.729 0.975 1.00 73.31 C ATOM 487 C GLY A 35 2.124 -8.059 2.007 1.00 54.21 C ATOM 488 O GLY A 35 1.519 -8.732 2.841 1.00 42.01 O ATOM 0 H GLY A 35 1.856 -10.340 1.760 1.00 21.50 H new ATOM 0 HA2 GLY A 35 3.958 -8.458 1.033 1.00 73.31 H new ATOM 0 HA3 GLY A 35 2.560 -8.460 -0.024 1.00 73.31 H new ATOM 492 N ILE A 36 2.106 -6.716 2.000 1.00 0.33 N ATOM 493 CA ILE A 36 1.362 -6.016 2.926 1.00 23.30 C ATOM 494 C ILE A 36 0.037 -5.869 2.315 1.00 55.21 C ATOM 495 O ILE A 36 -0.090 -5.528 1.137 1.00 52.22 O ATOM 496 CB ILE A 36 1.974 -4.676 3.287 1.00 53.14 C ATOM 497 CG1 ILE A 36 2.334 -4.688 4.744 1.00 24.10 C ATOM 498 CG2 ILE A 36 1.076 -3.469 2.894 1.00 60.12 C ATOM 499 CD1 ILE A 36 3.273 -5.791 5.142 1.00 33.10 C ATOM 0 H ILE A 36 2.620 -6.136 1.337 1.00 0.33 H new ATOM 0 HA ILE A 36 1.318 -6.548 3.876 1.00 23.30 H new ATOM 0 HB ILE A 36 2.881 -4.535 2.699 1.00 53.14 H new ATOM 0 HG12 ILE A 36 2.787 -3.731 5.002 1.00 24.10 H new ATOM 0 HG13 ILE A 36 1.420 -4.776 5.331 1.00 24.10 H new ATOM 0 HG21 ILE A 36 1.570 -2.540 3.179 1.00 60.12 H new ATOM 0 HG22 ILE A 36 0.909 -3.476 1.817 1.00 60.12 H new ATOM 0 HG23 ILE A 36 0.119 -3.544 3.410 1.00 60.12 H new ATOM 0 HD11 ILE A 36 3.480 -5.725 6.210 1.00 33.10 H new ATOM 0 HD12 ILE A 36 2.816 -6.755 4.920 1.00 33.10 H new ATOM 0 HD13 ILE A 36 4.205 -5.694 4.585 1.00 33.10 H new ATOM 511 N TYR A 37 -0.973 -6.177 3.077 1.00 23.43 N ATOM 512 CA TYR A 37 -2.323 -6.052 2.610 1.00 12.42 C ATOM 513 C TYR A 37 -2.837 -4.902 3.348 1.00 13.12 C ATOM 514 O TYR A 37 -2.373 -4.623 4.457 1.00 54.43 O ATOM 515 CB TYR A 37 -3.242 -7.257 2.973 1.00 74.51 C ATOM 516 CG TYR A 37 -2.984 -8.394 2.017 1.00 25.35 C ATOM 517 CD1 TYR A 37 -1.710 -9.010 1.919 1.00 21.54 C ATOM 518 CD2 TYR A 37 -4.035 -8.883 1.212 1.00 63.32 C ATOM 519 CE1 TYR A 37 -1.502 -10.079 1.029 1.00 71.52 C ATOM 520 CE2 TYR A 37 -3.829 -9.952 0.334 1.00 63.41 C ATOM 521 CZ TYR A 37 -2.564 -10.555 0.243 1.00 14.21 C ATOM 522 OH TYR A 37 -2.374 -11.654 -0.606 1.00 12.31 O ATOM 0 H TYR A 37 -0.885 -6.520 4.034 1.00 23.43 H new ATOM 0 HA TYR A 37 -2.323 -5.978 1.523 1.00 12.42 H new ATOM 0 HB2 TYR A 37 -3.050 -7.578 3.997 1.00 74.51 H new ATOM 0 HB3 TYR A 37 -4.289 -6.957 2.924 1.00 74.51 H new ATOM 0 HD1 TYR A 37 -0.894 -8.656 2.532 1.00 21.54 H new ATOM 0 HD2 TYR A 37 -5.011 -8.426 1.275 1.00 63.32 H new ATOM 0 HE1 TYR A 37 -0.526 -10.534 0.950 1.00 71.52 H new ATOM 0 HE2 TYR A 37 -4.644 -10.314 -0.275 1.00 63.41 H new ATOM 0 HH TYR A 37 -3.211 -11.853 -1.076 1.00 12.31 H new ATOM 532 N VAL A 38 -3.800 -4.184 2.775 1.00 52.11 N ATOM 533 CA VAL A 38 -4.349 -3.061 3.453 1.00 50.45 C ATOM 534 C VAL A 38 -5.387 -3.610 4.410 1.00 42.12 C ATOM 535 O VAL A 38 -6.489 -4.004 4.014 1.00 22.41 O ATOM 536 CB VAL A 38 -4.986 -2.066 2.503 1.00 13.14 C ATOM 537 CG1 VAL A 38 -5.494 -0.859 3.307 1.00 55.33 C ATOM 538 CG2 VAL A 38 -3.929 -1.672 1.442 1.00 34.10 C ATOM 0 H VAL A 38 -4.198 -4.373 1.855 1.00 52.11 H new ATOM 0 HA VAL A 38 -3.559 -2.517 3.971 1.00 50.45 H new ATOM 0 HB VAL A 38 -5.845 -2.493 1.986 1.00 13.14 H new ATOM 0 HG11 VAL A 38 -5.954 -0.139 2.630 1.00 55.33 H new ATOM 0 HG12 VAL A 38 -6.231 -1.193 4.037 1.00 55.33 H new ATOM 0 HG13 VAL A 38 -4.658 -0.389 3.824 1.00 55.33 H new ATOM 0 HG21 VAL A 38 -4.363 -0.955 0.745 1.00 34.10 H new ATOM 0 HG22 VAL A 38 -3.068 -1.222 1.936 1.00 34.10 H new ATOM 0 HG23 VAL A 38 -3.611 -2.561 0.897 1.00 34.10 H new ATOM 548 N LYS A 39 -4.998 -3.675 5.700 1.00 52.24 N ATOM 549 CA LYS A 39 -5.852 -4.230 6.730 1.00 70.14 C ATOM 550 C LYS A 39 -6.981 -3.285 7.001 1.00 63.14 C ATOM 551 O LYS A 39 -8.082 -3.715 7.313 1.00 11.22 O ATOM 552 CB LYS A 39 -5.128 -4.482 8.086 1.00 75.32 C ATOM 553 CG LYS A 39 -5.941 -5.407 9.004 1.00 32.03 C ATOM 554 CD LYS A 39 -5.454 -5.501 10.453 1.00 73.12 C ATOM 555 CE LYS A 39 -6.451 -6.266 11.362 1.00 24.13 C ATOM 556 NZ LYS A 39 -6.647 -7.650 10.879 1.00 54.23 N ATOM 0 H LYS A 39 -4.094 -3.345 6.037 1.00 52.24 H new ATOM 0 HA LYS A 39 -6.191 -5.192 6.346 1.00 70.14 H new ATOM 0 HB2 LYS A 39 -4.150 -4.924 7.899 1.00 75.32 H new ATOM 0 HB3 LYS A 39 -4.957 -3.530 8.589 1.00 75.32 H new ATOM 0 HG2 LYS A 39 -6.976 -5.065 9.010 1.00 32.03 H new ATOM 0 HG3 LYS A 39 -5.939 -6.409 8.574 1.00 32.03 H new ATOM 0 HD2 LYS A 39 -4.486 -6.002 10.477 1.00 73.12 H new ATOM 0 HD3 LYS A 39 -5.302 -4.497 10.849 1.00 73.12 H new ATOM 0 HE2 LYS A 39 -6.077 -6.283 12.386 1.00 24.13 H new ATOM 0 HE3 LYS A 39 -7.408 -5.744 11.381 1.00 24.13 H new ATOM 0 HZ1 LYS A 39 -7.251 -8.169 11.548 1.00 54.23 H new ATOM 0 HZ2 LYS A 39 -7.103 -7.630 9.945 1.00 54.23 H new ATOM 0 HZ3 LYS A 39 -5.725 -8.125 10.804 1.00 54.23 H new ATOM 570 N ALA A 40 -6.740 -1.984 6.878 1.00 13.30 N ATOM 571 CA ALA A 40 -7.771 -1.041 7.178 1.00 61.51 C ATOM 572 C ALA A 40 -7.365 0.198 6.524 1.00 53.25 C ATOM 573 O ALA A 40 -6.179 0.450 6.367 1.00 60.35 O ATOM 574 CB ALA A 40 -7.945 -0.731 8.679 1.00 30.40 C ATOM 0 H ALA A 40 -5.853 -1.580 6.578 1.00 13.30 H new ATOM 0 HA ALA A 40 -8.720 -1.459 6.841 1.00 61.51 H new ATOM 0 HB1 ALA A 40 -8.749 -0.007 8.810 1.00 30.40 H new ATOM 0 HB2 ALA A 40 -8.192 -1.648 9.214 1.00 30.40 H new ATOM 0 HB3 ALA A 40 -7.017 -0.319 9.075 1.00 30.40 H new ATOM 580 N VAL A 41 -8.341 1.004 6.109 1.00 31.55 N ATOM 581 CA VAL A 41 -8.057 2.287 5.563 1.00 54.32 C ATOM 582 C VAL A 41 -8.736 3.207 6.513 1.00 41.32 C ATOM 583 O VAL A 41 -9.906 2.994 6.847 1.00 43.11 O ATOM 584 CB VAL A 41 -8.665 2.497 4.169 1.00 74.44 C ATOM 585 CG1 VAL A 41 -8.210 3.862 3.609 1.00 44.40 C ATOM 586 CG2 VAL A 41 -8.241 1.326 3.271 1.00 21.25 C ATOM 0 H VAL A 41 -9.333 0.770 6.150 1.00 31.55 H new ATOM 0 HA VAL A 41 -6.984 2.436 5.446 1.00 54.32 H new ATOM 0 HB VAL A 41 -9.754 2.514 4.214 1.00 74.44 H new ATOM 0 HG11 VAL A 41 -8.642 4.011 2.619 1.00 44.40 H new ATOM 0 HG12 VAL A 41 -8.544 4.658 4.274 1.00 44.40 H new ATOM 0 HG13 VAL A 41 -7.123 3.882 3.537 1.00 44.40 H new ATOM 0 HG21 VAL A 41 -8.665 1.459 2.276 1.00 21.25 H new ATOM 0 HG22 VAL A 41 -7.154 1.296 3.202 1.00 21.25 H new ATOM 0 HG23 VAL A 41 -8.603 0.391 3.698 1.00 21.25 H new ATOM 596 N ILE A 42 -8.044 4.235 6.998 1.00 5.30 N ATOM 597 CA ILE A 42 -8.680 5.192 7.865 1.00 51.24 C ATOM 598 C ILE A 42 -9.490 6.095 6.950 1.00 5.21 C ATOM 599 O ILE A 42 -9.098 6.347 5.812 1.00 44.15 O ATOM 600 CB ILE A 42 -7.718 6.015 8.750 1.00 40.41 C ATOM 601 CG1 ILE A 42 -6.895 7.071 7.959 1.00 20.22 C ATOM 602 CG2 ILE A 42 -6.839 5.020 9.545 1.00 24.03 C ATOM 603 CD1 ILE A 42 -6.028 6.484 6.866 1.00 72.10 C ATOM 0 H ILE A 42 -7.059 4.416 6.803 1.00 5.30 H new ATOM 0 HA ILE A 42 -9.292 4.659 8.593 1.00 51.24 H new ATOM 0 HB ILE A 42 -8.298 6.622 9.445 1.00 40.41 H new ATOM 0 HG12 ILE A 42 -7.581 7.793 7.516 1.00 20.22 H new ATOM 0 HG13 ILE A 42 -6.261 7.619 8.656 1.00 20.22 H new ATOM 0 HG21 ILE A 42 -6.148 5.573 10.181 1.00 24.03 H new ATOM 0 HG22 ILE A 42 -7.475 4.387 10.164 1.00 24.03 H new ATOM 0 HG23 ILE A 42 -6.275 4.398 8.850 1.00 24.03 H new ATOM 0 HD11 ILE A 42 -5.487 7.284 6.362 1.00 72.10 H new ATOM 0 HD12 ILE A 42 -5.316 5.784 7.303 1.00 72.10 H new ATOM 0 HD13 ILE A 42 -6.656 5.961 6.145 1.00 72.10 H new ATOM 615 N PRO A 43 -10.667 6.528 7.399 1.00 12.20 N ATOM 616 CA PRO A 43 -11.548 7.315 6.570 1.00 62.04 C ATOM 617 C PRO A 43 -10.978 8.663 6.523 1.00 52.40 C ATOM 618 O PRO A 43 -10.049 8.939 7.292 1.00 53.03 O ATOM 619 CB PRO A 43 -12.842 7.383 7.364 1.00 21.42 C ATOM 620 CG PRO A 43 -12.347 7.371 8.805 1.00 14.43 C ATOM 621 CD PRO A 43 -11.196 6.340 8.748 1.00 33.13 C ATOM 0 HA PRO A 43 -11.688 6.918 5.564 1.00 62.04 H new ATOM 0 HB2 PRO A 43 -13.410 8.285 7.138 1.00 21.42 H new ATOM 0 HB3 PRO A 43 -13.493 6.535 7.152 1.00 21.42 H new ATOM 0 HG2 PRO A 43 -11.998 8.353 9.124 1.00 14.43 H new ATOM 0 HG3 PRO A 43 -13.129 7.069 9.501 1.00 14.43 H new ATOM 0 HD2 PRO A 43 -10.441 6.533 9.510 1.00 33.13 H new ATOM 0 HD3 PRO A 43 -11.555 5.323 8.905 1.00 33.13 H new ATOM 629 N GLN A 44 -11.557 9.534 5.703 1.00 52.22 N ATOM 630 CA GLN A 44 -11.320 10.959 5.787 1.00 21.31 C ATOM 631 C GLN A 44 -9.917 11.325 5.317 1.00 65.43 C ATOM 632 O GLN A 44 -9.598 12.494 5.080 1.00 33.15 O ATOM 633 CB GLN A 44 -11.582 11.490 7.218 1.00 3.53 C ATOM 634 CG GLN A 44 -12.022 12.957 7.271 1.00 40.22 C ATOM 635 CD GLN A 44 -12.453 13.260 8.695 1.00 13.43 C ATOM 636 OE1 GLN A 44 -12.507 12.355 9.548 1.00 42.44 O ATOM 637 NE2 GLN A 44 -12.778 14.529 8.974 1.00 72.53 N ATOM 0 H GLN A 44 -12.204 9.265 4.962 1.00 52.22 H new ATOM 0 HA GLN A 44 -12.028 11.443 5.115 1.00 21.31 H new ATOM 0 HB2 GLN A 44 -12.350 10.875 7.687 1.00 3.53 H new ATOM 0 HB3 GLN A 44 -10.674 11.373 7.809 1.00 3.53 H new ATOM 0 HG2 GLN A 44 -11.204 13.612 6.972 1.00 40.22 H new ATOM 0 HG3 GLN A 44 -12.843 13.135 6.577 1.00 40.22 H new ATOM 0 HE21 GLN A 44 -12.720 15.242 8.247 1.00 72.53 H new ATOM 0 HE22 GLN A 44 -13.083 14.783 9.914 1.00 72.53 H new ATOM 646 N GLY A 45 -9.075 10.324 5.154 1.00 75.02 N ATOM 647 CA GLY A 45 -7.712 10.513 4.789 1.00 20.24 C ATOM 648 C GLY A 45 -7.642 10.493 3.315 1.00 42.33 C ATOM 649 O GLY A 45 -8.661 10.339 2.624 1.00 72.22 O ATOM 0 H GLY A 45 -9.337 9.346 5.277 1.00 75.02 H new ATOM 0 HA2 GLY A 45 -7.338 11.460 5.178 1.00 20.24 H new ATOM 0 HA3 GLY A 45 -7.089 9.726 5.213 1.00 20.24 H new ATOM 653 N ALA A 46 -6.424 10.652 2.803 1.00 40.15 N ATOM 654 CA ALA A 46 -6.194 10.764 1.384 1.00 13.31 C ATOM 655 C ALA A 46 -6.548 9.462 0.737 1.00 70.13 C ATOM 656 O ALA A 46 -7.334 9.424 -0.183 1.00 35.21 O ATOM 657 CB ALA A 46 -4.738 11.052 1.044 1.00 52.30 C ATOM 0 H ALA A 46 -5.576 10.706 3.368 1.00 40.15 H new ATOM 0 HA ALA A 46 -6.805 11.592 1.025 1.00 13.31 H new ATOM 0 HB1 ALA A 46 -4.625 11.126 -0.038 1.00 52.30 H new ATOM 0 HB2 ALA A 46 -4.436 11.992 1.506 1.00 52.30 H new ATOM 0 HB3 ALA A 46 -4.110 10.245 1.420 1.00 52.30 H new ATOM 663 N ALA A 47 -5.961 8.353 1.259 1.00 55.11 N ATOM 664 CA ALA A 47 -6.112 7.023 0.644 1.00 45.40 C ATOM 665 C ALA A 47 -7.574 6.699 0.450 1.00 1.53 C ATOM 666 O ALA A 47 -7.993 6.323 -0.646 1.00 0.21 O ATOM 667 CB ALA A 47 -5.499 5.901 1.505 1.00 1.31 C ATOM 0 H ALA A 47 -5.383 8.361 2.100 1.00 55.11 H new ATOM 0 HA ALA A 47 -5.586 7.068 -0.309 1.00 45.40 H new ATOM 0 HB1 ALA A 47 -5.638 4.942 1.006 1.00 1.31 H new ATOM 0 HB2 ALA A 47 -4.434 6.088 1.642 1.00 1.31 H new ATOM 0 HB3 ALA A 47 -5.991 5.878 2.477 1.00 1.31 H new ATOM 673 N GLU A 48 -8.380 6.879 1.501 1.00 21.00 N ATOM 674 CA GLU A 48 -9.812 6.630 1.432 1.00 62.34 C ATOM 675 C GLU A 48 -10.443 7.553 0.390 1.00 61.20 C ATOM 676 O GLU A 48 -11.126 7.103 -0.527 1.00 23.11 O ATOM 677 CB GLU A 48 -10.504 6.922 2.794 1.00 14.30 C ATOM 678 CG GLU A 48 -12.018 6.669 2.824 1.00 4.22 C ATOM 679 CD GLU A 48 -12.276 5.178 2.822 1.00 1.32 C ATOM 680 OE1 GLU A 48 -11.970 4.526 1.829 1.00 62.25 O ATOM 681 OE2 GLU A 48 -12.813 4.651 3.837 1.00 65.51 O ATOM 0 H GLU A 48 -8.056 7.199 2.414 1.00 21.00 H new ATOM 0 HA GLU A 48 -9.950 5.581 1.169 1.00 62.34 H new ATOM 0 HB2 GLU A 48 -10.034 6.308 3.562 1.00 14.30 H new ATOM 0 HB3 GLU A 48 -10.320 7.963 3.061 1.00 14.30 H new ATOM 0 HG2 GLU A 48 -12.457 7.124 3.712 1.00 4.22 H new ATOM 0 HG3 GLU A 48 -12.493 7.133 1.960 1.00 4.22 H new ATOM 688 N SER A 49 -10.236 8.867 0.550 1.00 74.01 N ATOM 689 CA SER A 49 -10.941 9.873 -0.241 1.00 34.23 C ATOM 690 C SER A 49 -10.573 9.783 -1.724 1.00 13.41 C ATOM 691 O SER A 49 -11.415 10.046 -2.592 1.00 24.15 O ATOM 692 CB SER A 49 -10.648 11.301 0.248 1.00 30.15 C ATOM 693 OG SER A 49 -10.910 11.395 1.656 1.00 42.24 O ATOM 0 H SER A 49 -9.580 9.256 1.227 1.00 74.01 H new ATOM 0 HA SER A 49 -12.003 9.662 -0.114 1.00 34.23 H new ATOM 0 HB2 SER A 49 -9.609 11.559 0.044 1.00 30.15 H new ATOM 0 HB3 SER A 49 -11.267 12.016 -0.295 1.00 30.15 H new ATOM 0 HG SER A 49 -10.082 11.231 2.154 1.00 42.24 H new ATOM 699 N ASP A 50 -9.322 9.393 -2.040 1.00 11.21 N ATOM 700 CA ASP A 50 -8.879 9.351 -3.445 1.00 22.34 C ATOM 701 C ASP A 50 -9.392 8.047 -4.011 1.00 41.43 C ATOM 702 O ASP A 50 -9.677 7.927 -5.198 1.00 53.52 O ATOM 703 CB ASP A 50 -7.339 9.438 -3.629 1.00 55.05 C ATOM 704 CG ASP A 50 -7.009 9.977 -5.036 1.00 23.43 C ATOM 705 OD1 ASP A 50 -7.131 9.234 -6.025 1.00 11.43 O ATOM 706 OD2 ASP A 50 -6.609 11.164 -5.142 1.00 32.02 O ATOM 0 H ASP A 50 -8.617 9.109 -1.360 1.00 11.21 H new ATOM 0 HA ASP A 50 -9.274 10.225 -3.962 1.00 22.34 H new ATOM 0 HB2 ASP A 50 -6.909 10.091 -2.870 1.00 55.05 H new ATOM 0 HB3 ASP A 50 -6.891 8.454 -3.493 1.00 55.05 H new ATOM 711 N GLY A 51 -9.610 7.051 -3.116 1.00 72.55 N ATOM 712 CA GLY A 51 -10.357 5.850 -3.471 1.00 35.34 C ATOM 713 C GLY A 51 -9.513 4.931 -4.275 1.00 53.54 C ATOM 714 O GLY A 51 -10.032 4.058 -4.961 1.00 55.12 O ATOM 0 H GLY A 51 -9.275 7.069 -2.153 1.00 72.55 H new ATOM 0 HA2 GLY A 51 -10.695 5.345 -2.567 1.00 35.34 H new ATOM 0 HA3 GLY A 51 -11.248 6.123 -4.036 1.00 35.34 H new ATOM 718 N ARG A 52 -8.185 5.096 -4.217 1.00 4.23 N ATOM 719 CA ARG A 52 -7.311 4.252 -5.006 1.00 23.03 C ATOM 720 C ARG A 52 -6.878 3.110 -4.147 1.00 3.23 C ATOM 721 O ARG A 52 -6.008 2.348 -4.526 1.00 73.54 O ATOM 722 CB ARG A 52 -6.022 4.964 -5.437 1.00 13.44 C ATOM 723 CG ARG A 52 -6.211 6.258 -6.236 1.00 35.32 C ATOM 724 CD ARG A 52 -6.994 6.115 -7.562 1.00 31.13 C ATOM 725 NE ARG A 52 -8.479 6.214 -7.266 1.00 51.13 N ATOM 726 CZ ARG A 52 -9.437 5.621 -8.080 1.00 64.11 C ATOM 727 NH1 ARG A 52 -9.071 4.825 -9.133 1.00 62.42 N ATOM 728 NH2 ARG A 52 -10.768 5.842 -7.829 1.00 64.04 N ATOM 0 H ARG A 52 -7.711 5.793 -3.642 1.00 4.23 H new ATOM 0 HA ARG A 52 -7.868 3.954 -5.894 1.00 23.03 H new ATOM 0 HB2 ARG A 52 -5.439 5.192 -4.545 1.00 13.44 H new ATOM 0 HB3 ARG A 52 -5.430 4.272 -6.036 1.00 13.44 H new ATOM 0 HG2 ARG A 52 -6.728 6.981 -5.605 1.00 35.32 H new ATOM 0 HG3 ARG A 52 -5.228 6.674 -6.458 1.00 35.32 H new ATOM 0 HD2 ARG A 52 -6.696 6.895 -8.262 1.00 31.13 H new ATOM 0 HD3 ARG A 52 -6.766 5.159 -8.034 1.00 31.13 H new ATOM 0 HE ARG A 52 -8.784 6.733 -6.443 1.00 51.13 H new ATOM 0 HH11 ARG A 52 -8.084 4.660 -9.329 1.00 62.42 H new ATOM 0 HH12 ARG A 52 -9.786 4.397 -9.721 1.00 62.42 H new ATOM 0 HH21 ARG A 52 -11.048 6.438 -7.050 1.00 64.04 H new ATOM 0 HH22 ARG A 52 -11.477 5.411 -8.422 1.00 64.04 H new ATOM 742 N ILE A 53 -7.444 3.007 -2.948 1.00 74.01 N ATOM 743 CA ILE A 53 -6.954 2.092 -1.976 1.00 42.41 C ATOM 744 C ILE A 53 -8.181 1.618 -1.285 1.00 14.34 C ATOM 745 O ILE A 53 -9.116 2.393 -1.043 1.00 22.33 O ATOM 746 CB ILE A 53 -5.959 2.739 -0.975 1.00 2.22 C ATOM 747 CG1 ILE A 53 -4.621 3.000 -1.704 1.00 30.44 C ATOM 748 CG2 ILE A 53 -5.757 1.830 0.250 1.00 65.05 C ATOM 749 CD1 ILE A 53 -3.624 3.875 -0.947 1.00 34.31 C ATOM 0 H ILE A 53 -8.246 3.559 -2.645 1.00 74.01 H new ATOM 0 HA ILE A 53 -6.380 1.289 -2.438 1.00 42.41 H new ATOM 0 HB ILE A 53 -6.361 3.686 -0.614 1.00 2.22 H new ATOM 0 HG12 ILE A 53 -4.149 2.041 -1.916 1.00 30.44 H new ATOM 0 HG13 ILE A 53 -4.835 3.469 -2.664 1.00 30.44 H new ATOM 0 HG21 ILE A 53 -5.057 2.300 0.940 1.00 65.05 H new ATOM 0 HG22 ILE A 53 -6.713 1.677 0.751 1.00 65.05 H new ATOM 0 HG23 ILE A 53 -5.358 0.868 -0.072 1.00 65.05 H new ATOM 0 HD11 ILE A 53 -2.720 3.997 -1.544 1.00 34.31 H new ATOM 0 HD12 ILE A 53 -4.068 4.852 -0.758 1.00 34.31 H new ATOM 0 HD13 ILE A 53 -3.371 3.401 0.002 1.00 34.31 H new ATOM 761 N HIS A 54 -8.214 0.323 -1.008 1.00 15.43 N ATOM 762 CA HIS A 54 -9.337 -0.287 -0.371 1.00 1.51 C ATOM 763 C HIS A 54 -8.783 -1.407 0.394 1.00 11.32 C ATOM 764 O HIS A 54 -7.658 -1.836 0.149 1.00 33.44 O ATOM 765 CB HIS A 54 -10.416 -0.836 -1.338 1.00 1.55 C ATOM 766 CG HIS A 54 -11.136 0.260 -2.088 1.00 12.43 C ATOM 767 ND1 HIS A 54 -11.891 1.219 -1.457 1.00 61.41 N ATOM 768 CD2 HIS A 54 -11.161 0.542 -3.404 1.00 43.00 C ATOM 769 CE1 HIS A 54 -12.363 2.055 -2.376 1.00 45.41 C ATOM 770 NE2 HIS A 54 -11.931 1.660 -3.567 1.00 53.41 N ATOM 0 H HIS A 54 -7.454 -0.322 -1.225 1.00 15.43 H new ATOM 0 HA HIS A 54 -9.848 0.468 0.227 1.00 1.51 H new ATOM 0 HB2 HIS A 54 -9.948 -1.513 -2.053 1.00 1.55 H new ATOM 0 HB3 HIS A 54 -11.141 -1.421 -0.773 1.00 1.55 H new ATOM 0 HD2 HIS A 54 -10.665 -0.012 -4.187 1.00 43.00 H new ATOM 0 HE1 HIS A 54 -12.992 2.912 -2.186 1.00 45.41 H new ATOM 0 HE2 HIS A 54 -12.139 2.115 -4.456 1.00 53.41 H new ATOM 779 N LYS A 55 -9.545 -1.883 1.396 1.00 74.40 N ATOM 780 CA LYS A 55 -9.107 -2.968 2.218 1.00 3.54 C ATOM 781 C LYS A 55 -9.051 -4.200 1.373 1.00 4.01 C ATOM 782 O LYS A 55 -9.883 -4.396 0.485 1.00 75.31 O ATOM 783 CB LYS A 55 -10.056 -3.246 3.396 1.00 10.13 C ATOM 784 CG LYS A 55 -10.288 -2.014 4.279 1.00 40.31 C ATOM 785 CD LYS A 55 -11.424 -2.190 5.290 1.00 5.13 C ATOM 786 CE LYS A 55 -11.196 -3.333 6.288 1.00 63.24 C ATOM 787 NZ LYS A 55 -12.321 -3.442 7.232 1.00 64.53 N ATOM 0 H LYS A 55 -10.466 -1.516 1.637 1.00 74.40 H new ATOM 0 HA LYS A 55 -8.134 -2.698 2.629 1.00 3.54 H new ATOM 0 HB2 LYS A 55 -11.014 -3.596 3.010 1.00 10.13 H new ATOM 0 HB3 LYS A 55 -9.645 -4.051 4.005 1.00 10.13 H new ATOM 0 HG2 LYS A 55 -9.368 -1.783 4.816 1.00 40.31 H new ATOM 0 HG3 LYS A 55 -10.509 -1.157 3.642 1.00 40.31 H new ATOM 0 HD2 LYS A 55 -11.553 -1.259 5.842 1.00 5.13 H new ATOM 0 HD3 LYS A 55 -12.353 -2.372 4.750 1.00 5.13 H new ATOM 0 HE2 LYS A 55 -11.077 -4.273 5.749 1.00 63.24 H new ATOM 0 HE3 LYS A 55 -10.271 -3.161 6.838 1.00 63.24 H new ATOM 0 HZ1 LYS A 55 -12.143 -4.222 7.896 1.00 64.53 H new ATOM 0 HZ2 LYS A 55 -12.418 -2.552 7.761 1.00 64.53 H new ATOM 0 HZ3 LYS A 55 -13.199 -3.629 6.706 1.00 64.53 H new ATOM 801 N GLY A 56 -8.071 -5.052 1.635 1.00 73.01 N ATOM 802 CA GLY A 56 -7.991 -6.319 0.962 1.00 32.04 C ATOM 803 C GLY A 56 -6.968 -6.208 -0.110 1.00 31.34 C ATOM 804 O GLY A 56 -6.289 -7.186 -0.412 1.00 31.44 O ATOM 0 H GLY A 56 -7.326 -4.880 2.310 1.00 73.01 H new ATOM 0 HA2 GLY A 56 -7.722 -7.107 1.665 1.00 32.04 H new ATOM 0 HA3 GLY A 56 -8.959 -6.587 0.538 1.00 32.04 H new ATOM 808 N ASP A 57 -6.829 -5.001 -0.718 1.00 10.34 N ATOM 809 CA ASP A 57 -5.828 -4.777 -1.767 1.00 3.14 C ATOM 810 C ASP A 57 -4.462 -4.959 -1.158 1.00 21.11 C ATOM 811 O ASP A 57 -4.284 -4.829 0.062 1.00 14.34 O ATOM 812 CB ASP A 57 -5.876 -3.353 -2.415 1.00 2.24 C ATOM 813 CG ASP A 57 -7.171 -3.169 -3.213 1.00 3.11 C ATOM 814 OD1 ASP A 57 -7.920 -4.163 -3.427 1.00 33.32 O ATOM 815 OD2 ASP A 57 -7.454 -2.020 -3.641 1.00 10.44 O ATOM 0 H ASP A 57 -7.396 -4.183 -0.495 1.00 10.34 H new ATOM 0 HA ASP A 57 -6.046 -5.492 -2.560 1.00 3.14 H new ATOM 0 HB2 ASP A 57 -5.809 -2.591 -1.638 1.00 2.24 H new ATOM 0 HB3 ASP A 57 -5.016 -3.216 -3.070 1.00 2.24 H new ATOM 820 N ARG A 58 -3.476 -5.304 -2.003 1.00 11.01 N ATOM 821 CA ARG A 58 -2.136 -5.595 -1.539 1.00 31.23 C ATOM 822 C ARG A 58 -1.239 -4.558 -2.133 1.00 44.31 C ATOM 823 O ARG A 58 -1.417 -4.175 -3.273 1.00 54.21 O ATOM 824 CB ARG A 58 -1.635 -6.998 -2.004 1.00 11.30 C ATOM 825 CG ARG A 58 -0.192 -7.331 -1.593 1.00 43.50 C ATOM 826 CD ARG A 58 0.212 -8.772 -1.878 1.00 54.41 C ATOM 827 NE ARG A 58 0.145 -9.034 -3.365 1.00 25.41 N ATOM 828 CZ ARG A 58 1.228 -9.533 -4.090 1.00 52.15 C ATOM 829 NH1 ARG A 58 2.463 -9.619 -3.517 1.00 1.22 N ATOM 830 NH2 ARG A 58 1.051 -9.953 -5.371 1.00 52.22 N ATOM 0 H ARG A 58 -3.597 -5.385 -3.013 1.00 11.01 H new ATOM 0 HA ARG A 58 -2.131 -5.591 -0.449 1.00 31.23 H new ATOM 0 HB2 ARG A 58 -2.300 -7.760 -1.597 1.00 11.30 H new ATOM 0 HB3 ARG A 58 -1.712 -7.055 -3.090 1.00 11.30 H new ATOM 0 HG2 ARG A 58 0.489 -6.662 -2.119 1.00 43.50 H new ATOM 0 HG3 ARG A 58 -0.073 -7.134 -0.528 1.00 43.50 H new ATOM 0 HD2 ARG A 58 1.222 -8.956 -1.511 1.00 54.41 H new ATOM 0 HD3 ARG A 58 -0.449 -9.457 -1.348 1.00 54.41 H new ATOM 0 HE ARG A 58 -0.726 -8.838 -3.858 1.00 25.41 H new ATOM 0 HH11 ARG A 58 2.600 -9.317 -2.552 1.00 1.22 H new ATOM 0 HH12 ARG A 58 3.250 -9.985 -4.053 1.00 1.22 H new ATOM 0 HH21 ARG A 58 0.127 -9.903 -5.801 1.00 52.22 H new ATOM 0 HH22 ARG A 58 1.842 -10.318 -5.902 1.00 52.22 H new ATOM 844 N VAL A 59 -0.238 -4.086 -1.352 1.00 20.23 N ATOM 845 CA VAL A 59 0.736 -3.161 -1.866 1.00 33.44 C ATOM 846 C VAL A 59 1.834 -4.017 -2.421 1.00 54.40 C ATOM 847 O VAL A 59 2.341 -4.916 -1.737 1.00 73.14 O ATOM 848 CB VAL A 59 1.311 -2.217 -0.815 1.00 32.51 C ATOM 849 CG1 VAL A 59 2.291 -1.233 -1.502 1.00 41.11 C ATOM 850 CG2 VAL A 59 0.128 -1.496 -0.119 1.00 60.32 C ATOM 0 H VAL A 59 -0.105 -4.343 -0.374 1.00 20.23 H new ATOM 0 HA VAL A 59 0.264 -2.512 -2.604 1.00 33.44 H new ATOM 0 HB VAL A 59 1.877 -2.753 -0.053 1.00 32.51 H new ATOM 0 HG11 VAL A 59 2.707 -0.554 -0.757 1.00 41.11 H new ATOM 0 HG12 VAL A 59 3.098 -1.793 -1.973 1.00 41.11 H new ATOM 0 HG13 VAL A 59 1.758 -0.658 -2.259 1.00 41.11 H new ATOM 0 HG21 VAL A 59 0.513 -0.814 0.639 1.00 60.32 H new ATOM 0 HG22 VAL A 59 -0.441 -0.933 -0.859 1.00 60.32 H new ATOM 0 HG23 VAL A 59 -0.521 -2.234 0.353 1.00 60.32 H new ATOM 860 N LEU A 60 2.183 -3.791 -3.692 1.00 42.20 N ATOM 861 CA LEU A 60 3.177 -4.610 -4.354 1.00 40.32 C ATOM 862 C LEU A 60 4.495 -3.970 -4.149 1.00 24.31 C ATOM 863 O LEU A 60 5.402 -4.577 -3.607 1.00 3.03 O ATOM 864 CB LEU A 60 2.971 -4.684 -5.879 1.00 50.11 C ATOM 865 CG LEU A 60 1.667 -5.357 -6.291 1.00 72.04 C ATOM 866 CD1 LEU A 60 1.368 -5.148 -7.752 1.00 10.41 C ATOM 867 CD2 LEU A 60 1.625 -6.835 -5.925 1.00 63.13 C ATOM 0 H LEU A 60 1.789 -3.050 -4.271 1.00 42.20 H new ATOM 0 HA LEU A 60 3.102 -5.614 -3.937 1.00 40.32 H new ATOM 0 HB2 LEU A 60 2.993 -3.674 -6.289 1.00 50.11 H new ATOM 0 HB3 LEU A 60 3.805 -5.227 -6.323 1.00 50.11 H new ATOM 0 HG LEU A 60 0.880 -4.869 -5.716 1.00 72.04 H new ATOM 0 HD11 LEU A 60 0.431 -5.643 -8.006 1.00 10.41 H new ATOM 0 HD12 LEU A 60 1.282 -4.081 -7.957 1.00 10.41 H new ATOM 0 HD13 LEU A 60 2.175 -5.569 -8.352 1.00 10.41 H new ATOM 0 HD21 LEU A 60 0.673 -7.262 -6.242 1.00 63.13 H new ATOM 0 HD22 LEU A 60 2.441 -7.357 -6.424 1.00 63.13 H new ATOM 0 HD23 LEU A 60 1.730 -6.946 -4.846 1.00 63.13 H new ATOM 879 N ALA A 61 4.641 -2.718 -4.605 1.00 63.41 N ATOM 880 CA ALA A 61 5.906 -2.051 -4.500 1.00 35.21 C ATOM 881 C ALA A 61 5.621 -0.685 -4.032 1.00 55.30 C ATOM 882 O ALA A 61 4.562 -0.135 -4.331 1.00 52.21 O ATOM 883 CB ALA A 61 6.625 -1.920 -5.857 1.00 24.12 C ATOM 0 H ALA A 61 3.899 -2.170 -5.041 1.00 63.41 H new ATOM 0 HA ALA A 61 6.546 -2.627 -3.832 1.00 35.21 H new ATOM 0 HB1 ALA A 61 7.577 -1.407 -5.717 1.00 24.12 H new ATOM 0 HB2 ALA A 61 6.805 -2.912 -6.271 1.00 24.12 H new ATOM 0 HB3 ALA A 61 6.003 -1.348 -6.545 1.00 24.12 H new ATOM 889 N VAL A 62 6.571 -0.094 -3.286 1.00 55.32 N ATOM 890 CA VAL A 62 6.435 1.256 -2.833 1.00 52.14 C ATOM 891 C VAL A 62 7.544 2.012 -3.484 1.00 42.32 C ATOM 892 O VAL A 62 8.723 1.822 -3.169 1.00 41.32 O ATOM 893 CB VAL A 62 6.546 1.423 -1.329 1.00 15.13 C ATOM 894 CG1 VAL A 62 6.369 2.925 -0.978 1.00 44.42 C ATOM 895 CG2 VAL A 62 5.473 0.529 -0.679 1.00 65.24 C ATOM 0 H VAL A 62 7.435 -0.552 -2.996 1.00 55.32 H new ATOM 0 HA VAL A 62 5.439 1.613 -3.093 1.00 52.14 H new ATOM 0 HB VAL A 62 7.521 1.117 -0.950 1.00 15.13 H new ATOM 0 HG11 VAL A 62 6.447 3.058 0.101 1.00 44.42 H new ATOM 0 HG12 VAL A 62 7.146 3.508 -1.472 1.00 44.42 H new ATOM 0 HG13 VAL A 62 5.390 3.265 -1.316 1.00 44.42 H new ATOM 0 HG21 VAL A 62 5.526 0.626 0.405 1.00 65.24 H new ATOM 0 HG22 VAL A 62 4.486 0.837 -1.023 1.00 65.24 H new ATOM 0 HG23 VAL A 62 5.647 -0.510 -0.959 1.00 65.24 H new ATOM 905 N ASN A 63 7.159 2.886 -4.415 1.00 2.40 N ATOM 906 CA ASN A 63 8.053 3.755 -5.173 1.00 41.21 C ATOM 907 C ASN A 63 9.196 2.959 -5.763 1.00 42.21 C ATOM 908 O ASN A 63 10.358 3.372 -5.730 1.00 23.50 O ATOM 909 CB ASN A 63 8.576 4.992 -4.389 1.00 63.13 C ATOM 910 CG ASN A 63 9.123 6.016 -5.392 1.00 53.54 C ATOM 911 OD1 ASN A 63 8.523 6.251 -6.441 1.00 10.30 O ATOM 912 ND2 ASN A 63 10.266 6.636 -5.085 1.00 52.51 N ATOM 0 H ASN A 63 6.179 3.011 -4.669 1.00 2.40 H new ATOM 0 HA ASN A 63 7.445 4.169 -5.977 1.00 41.21 H new ATOM 0 HB2 ASN A 63 7.772 5.433 -3.799 1.00 63.13 H new ATOM 0 HB3 ASN A 63 9.357 4.693 -3.690 1.00 63.13 H new ATOM 0 HD21 ASN A 63 10.662 7.323 -5.727 1.00 52.51 H new ATOM 0 HD22 ASN A 63 10.743 6.422 -4.209 1.00 52.51 H new ATOM 919 N GLY A 64 8.856 1.803 -6.340 1.00 0.35 N ATOM 920 CA GLY A 64 9.788 1.058 -7.130 1.00 32.11 C ATOM 921 C GLY A 64 10.265 -0.071 -6.330 1.00 62.34 C ATOM 922 O GLY A 64 10.593 -1.118 -6.863 1.00 65.34 O ATOM 0 H GLY A 64 7.932 1.377 -6.263 1.00 0.35 H new ATOM 0 HA2 GLY A 64 9.313 0.702 -8.044 1.00 32.11 H new ATOM 0 HA3 GLY A 64 10.623 1.691 -7.430 1.00 32.11 H new ATOM 926 N VAL A 65 10.352 0.100 -5.010 1.00 1.43 N ATOM 927 CA VAL A 65 10.947 -0.869 -4.203 1.00 12.12 C ATOM 928 C VAL A 65 9.920 -1.938 -3.945 1.00 63.22 C ATOM 929 O VAL A 65 8.871 -1.676 -3.353 1.00 42.53 O ATOM 930 CB VAL A 65 11.395 -0.251 -2.902 1.00 65.22 C ATOM 931 CG1 VAL A 65 11.915 -1.329 -1.990 1.00 12.15 C ATOM 932 CG2 VAL A 65 12.451 0.827 -3.238 1.00 32.24 C ATOM 0 H VAL A 65 10.004 0.919 -4.511 1.00 1.43 H new ATOM 0 HA VAL A 65 11.823 -1.294 -4.694 1.00 12.12 H new ATOM 0 HB VAL A 65 10.574 0.230 -2.370 1.00 65.22 H new ATOM 0 HG11 VAL A 65 12.239 -0.884 -1.049 1.00 12.15 H new ATOM 0 HG12 VAL A 65 11.124 -2.054 -1.795 1.00 12.15 H new ATOM 0 HG13 VAL A 65 12.759 -1.831 -2.464 1.00 12.15 H new ATOM 0 HG21 VAL A 65 12.798 1.296 -2.317 1.00 32.24 H new ATOM 0 HG22 VAL A 65 13.295 0.363 -3.749 1.00 32.24 H new ATOM 0 HG23 VAL A 65 12.006 1.583 -3.885 1.00 32.24 H new ATOM 942 N SER A 66 10.218 -3.176 -4.431 1.00 3.23 N ATOM 943 CA SER A 66 9.351 -4.325 -4.203 1.00 61.13 C ATOM 944 C SER A 66 9.144 -4.474 -2.716 1.00 40.45 C ATOM 945 O SER A 66 10.095 -4.475 -1.934 1.00 53.43 O ATOM 946 CB SER A 66 9.867 -5.672 -4.777 1.00 4.34 C ATOM 947 OG SER A 66 8.827 -6.657 -4.703 1.00 51.14 O ATOM 0 H SER A 66 11.053 -3.384 -4.979 1.00 3.23 H new ATOM 0 HA SER A 66 8.426 -4.117 -4.741 1.00 61.13 H new ATOM 0 HB2 SER A 66 10.184 -5.540 -5.812 1.00 4.34 H new ATOM 0 HB3 SER A 66 10.740 -6.007 -4.216 1.00 4.34 H new ATOM 0 HG SER A 66 9.154 -7.506 -5.067 1.00 51.14 H new ATOM 953 N LEU A 67 7.875 -4.529 -2.316 1.00 44.13 N ATOM 954 CA LEU A 67 7.490 -4.481 -0.935 1.00 64.34 C ATOM 955 C LEU A 67 7.290 -5.897 -0.512 1.00 62.35 C ATOM 956 O LEU A 67 7.198 -6.213 0.651 1.00 61.12 O ATOM 957 CB LEU A 67 6.137 -3.731 -0.812 1.00 42.55 C ATOM 958 CG LEU A 67 5.862 -3.001 0.498 1.00 3.33 C ATOM 959 CD1 LEU A 67 5.282 -3.904 1.588 1.00 74.42 C ATOM 960 CD2 LEU A 67 7.038 -2.119 0.960 1.00 42.40 C ATOM 0 H LEU A 67 7.088 -4.609 -2.960 1.00 44.13 H new ATOM 0 HA LEU A 67 8.239 -3.974 -0.326 1.00 64.34 H new ATOM 0 HB2 LEU A 67 6.079 -3.004 -1.622 1.00 42.55 H new ATOM 0 HB3 LEU A 67 5.335 -4.452 -0.972 1.00 42.55 H new ATOM 0 HG LEU A 67 5.060 -2.295 0.280 1.00 3.33 H new ATOM 0 HD11 LEU A 67 5.111 -3.319 2.492 1.00 74.42 H new ATOM 0 HD12 LEU A 67 4.338 -4.327 1.246 1.00 74.42 H new ATOM 0 HD13 LEU A 67 5.983 -4.710 1.804 1.00 74.42 H new ATOM 0 HD21 LEU A 67 6.778 -1.628 1.898 1.00 42.40 H new ATOM 0 HD22 LEU A 67 7.922 -2.739 1.109 1.00 42.40 H new ATOM 0 HD23 LEU A 67 7.247 -1.365 0.201 1.00 42.40 H new ATOM 972 N GLU A 68 7.225 -6.794 -1.495 1.00 51.11 N ATOM 973 CA GLU A 68 7.055 -8.193 -1.239 1.00 52.05 C ATOM 974 C GLU A 68 8.234 -8.687 -0.421 1.00 63.25 C ATOM 975 O GLU A 68 9.395 -8.439 -0.764 1.00 43.01 O ATOM 976 CB GLU A 68 6.981 -9.006 -2.535 1.00 0.04 C ATOM 977 CG GLU A 68 5.784 -8.621 -3.407 1.00 31.44 C ATOM 978 CD GLU A 68 5.705 -9.604 -4.544 1.00 61.24 C ATOM 979 OE1 GLU A 68 6.575 -9.565 -5.438 1.00 25.01 O ATOM 980 OE2 GLU A 68 4.775 -10.437 -4.533 1.00 44.22 O ATOM 0 H GLU A 68 7.290 -6.555 -2.484 1.00 51.11 H new ATOM 0 HA GLU A 68 6.117 -8.326 -0.701 1.00 52.05 H new ATOM 0 HB2 GLU A 68 7.900 -8.861 -3.103 1.00 0.04 H new ATOM 0 HB3 GLU A 68 6.921 -10.067 -2.291 1.00 0.04 H new ATOM 0 HG2 GLU A 68 4.864 -8.639 -2.822 1.00 31.44 H new ATOM 0 HG3 GLU A 68 5.900 -7.606 -3.787 1.00 31.44 H new ATOM 987 N GLY A 69 7.935 -9.358 0.715 1.00 34.55 N ATOM 988 CA GLY A 69 8.971 -9.905 1.570 1.00 74.40 C ATOM 989 C GLY A 69 9.332 -8.885 2.604 1.00 13.42 C ATOM 990 O GLY A 69 10.024 -9.204 3.581 1.00 5.32 O ATOM 0 H GLY A 69 6.984 -9.524 1.045 1.00 34.55 H new ATOM 0 HA2 GLY A 69 8.621 -10.820 2.048 1.00 74.40 H new ATOM 0 HA3 GLY A 69 9.848 -10.169 0.979 1.00 74.40 H new ATOM 994 N ALA A 70 8.896 -7.615 2.416 1.00 12.21 N ATOM 995 CA ALA A 70 9.187 -6.571 3.371 1.00 22.40 C ATOM 996 C ALA A 70 8.285 -6.786 4.545 1.00 14.04 C ATOM 997 O ALA A 70 7.189 -7.309 4.406 1.00 53.41 O ATOM 998 CB ALA A 70 8.947 -5.140 2.831 1.00 64.21 C ATOM 0 H ALA A 70 8.347 -7.312 1.611 1.00 12.21 H new ATOM 0 HA ALA A 70 10.246 -6.635 3.620 1.00 22.40 H new ATOM 0 HB1 ALA A 70 9.188 -4.413 3.607 1.00 64.21 H new ATOM 0 HB2 ALA A 70 9.582 -4.968 1.962 1.00 64.21 H new ATOM 0 HB3 ALA A 70 7.901 -5.030 2.543 1.00 64.21 H new ATOM 1004 N THR A 71 8.764 -6.429 5.738 1.00 44.21 N ATOM 1005 CA THR A 71 8.031 -6.690 6.938 1.00 2.32 C ATOM 1006 C THR A 71 7.010 -5.577 7.111 1.00 2.34 C ATOM 1007 O THR A 71 6.922 -4.673 6.293 1.00 23.24 O ATOM 1008 CB THR A 71 8.934 -6.776 8.171 1.00 40.33 C ATOM 1009 OG1 THR A 71 9.548 -5.502 8.454 1.00 21.41 O ATOM 1010 CG2 THR A 71 10.049 -7.790 7.877 1.00 2.32 C ATOM 0 H THR A 71 9.658 -5.959 5.880 1.00 44.21 H new ATOM 0 HA THR A 71 7.544 -7.661 6.847 1.00 2.32 H new ATOM 0 HB THR A 71 8.332 -7.075 9.029 1.00 40.33 H new ATOM 0 HG1 THR A 71 10.118 -5.583 9.247 1.00 21.41 H new ATOM 0 HG21 THR A 71 10.707 -7.869 8.743 1.00 2.32 H new ATOM 0 HG22 THR A 71 9.608 -8.764 7.666 1.00 2.32 H new ATOM 0 HG23 THR A 71 10.625 -7.458 7.013 1.00 2.32 H new ATOM 1018 N HIS A 72 6.216 -5.648 8.199 1.00 64.33 N ATOM 1019 CA HIS A 72 5.223 -4.633 8.512 1.00 3.23 C ATOM 1020 C HIS A 72 5.937 -3.320 8.708 1.00 10.54 C ATOM 1021 O HIS A 72 5.567 -2.329 8.105 1.00 41.03 O ATOM 1022 CB HIS A 72 4.436 -4.935 9.803 1.00 22.23 C ATOM 1023 CG HIS A 72 3.278 -4.002 10.044 1.00 51.25 C ATOM 1024 ND1 HIS A 72 3.257 -2.689 10.333 1.00 52.53 N flip ATOM 1025 CD2 HIS A 72 1.989 -4.441 10.056 1.00 35.32 C flip ATOM 1026 CE1 HIS A 72 1.954 -2.341 10.524 1.00 15.32 C flip ATOM 1027 NE2 HIS A 72 1.195 -3.417 10.348 1.00 25.52 N flip ATOM 0 H HIS A 72 6.255 -6.412 8.874 1.00 64.33 H new ATOM 0 HA HIS A 72 4.513 -4.608 7.685 1.00 3.23 H new ATOM 0 HB2 HIS A 72 4.062 -5.958 9.758 1.00 22.23 H new ATOM 0 HB3 HIS A 72 5.116 -4.881 10.653 1.00 22.23 H new ATOM 0 HD2 HIS A 72 1.666 -5.453 9.861 1.00 35.32 H new ATOM 0 HE1 HIS A 72 1.597 -1.354 10.777 1.00 15.32 H new ATOM 0 HE2 HIS A 72 0.178 -3.451 10.424 1.00 25.52 H new ATOM 1036 N LYS A 73 6.996 -3.305 9.577 1.00 21.53 N ATOM 1037 CA LYS A 73 7.796 -2.092 9.830 1.00 12.25 C ATOM 1038 C LYS A 73 8.285 -1.515 8.530 1.00 34.43 C ATOM 1039 O LYS A 73 8.020 -0.361 8.227 1.00 20.45 O ATOM 1040 CB LYS A 73 9.060 -2.376 10.678 1.00 54.25 C ATOM 1041 CG LYS A 73 8.769 -2.876 12.095 1.00 32.31 C ATOM 1042 CD LYS A 73 10.024 -3.400 12.815 1.00 75.34 C ATOM 1043 CE LYS A 73 11.136 -2.347 13.011 1.00 43.11 C ATOM 1044 NZ LYS A 73 10.664 -1.235 13.858 1.00 0.32 N ATOM 0 H LYS A 73 7.303 -4.122 10.105 1.00 21.53 H new ATOM 0 HA LYS A 73 7.138 -1.408 10.366 1.00 12.25 H new ATOM 0 HB2 LYS A 73 9.670 -3.117 10.162 1.00 54.25 H new ATOM 0 HB3 LYS A 73 9.653 -1.464 10.742 1.00 54.25 H new ATOM 0 HG2 LYS A 73 8.334 -2.065 12.679 1.00 32.31 H new ATOM 0 HG3 LYS A 73 8.024 -3.671 12.049 1.00 32.31 H new ATOM 0 HD2 LYS A 73 9.732 -3.788 13.791 1.00 75.34 H new ATOM 0 HD3 LYS A 73 10.430 -4.237 12.248 1.00 75.34 H new ATOM 0 HE2 LYS A 73 12.008 -2.814 13.469 1.00 43.11 H new ATOM 0 HE3 LYS A 73 11.453 -1.962 12.042 1.00 43.11 H new ATOM 0 HZ1 LYS A 73 11.452 -0.583 14.046 1.00 0.32 H new ATOM 0 HZ2 LYS A 73 9.902 -0.725 13.368 1.00 0.32 H new ATOM 0 HZ3 LYS A 73 10.305 -1.612 14.758 1.00 0.32 H new ATOM 1058 N GLN A 74 9.009 -2.337 7.729 1.00 62.11 N ATOM 1059 CA GLN A 74 9.570 -1.876 6.460 1.00 13.03 C ATOM 1060 C GLN A 74 8.470 -1.326 5.595 1.00 74.33 C ATOM 1061 O GLN A 74 8.594 -0.244 5.034 1.00 62.34 O ATOM 1062 CB GLN A 74 10.276 -2.990 5.664 1.00 20.23 C ATOM 1063 CG GLN A 74 11.484 -3.588 6.388 1.00 12.44 C ATOM 1064 CD GLN A 74 12.099 -4.656 5.494 1.00 71.22 C ATOM 1065 OE1 GLN A 74 12.025 -5.849 5.794 1.00 64.35 O ATOM 1066 NE2 GLN A 74 12.711 -4.243 4.376 1.00 53.35 N ATOM 0 H GLN A 74 9.210 -3.313 7.948 1.00 62.11 H new ATOM 0 HA GLN A 74 10.311 -1.117 6.713 1.00 13.03 H new ATOM 0 HB2 GLN A 74 9.560 -3.784 5.453 1.00 20.23 H new ATOM 0 HB3 GLN A 74 10.600 -2.589 4.704 1.00 20.23 H new ATOM 0 HG2 GLN A 74 12.216 -2.811 6.610 1.00 12.44 H new ATOM 0 HG3 GLN A 74 11.179 -4.020 7.341 1.00 12.44 H new ATOM 0 HE21 GLN A 74 12.755 -3.248 4.156 1.00 53.35 H new ATOM 0 HE22 GLN A 74 13.133 -4.924 3.744 1.00 53.35 H new ATOM 1075 N ALA A 75 7.370 -2.085 5.488 1.00 70.42 N ATOM 1076 CA ALA A 75 6.246 -1.734 4.641 1.00 41.54 C ATOM 1077 C ALA A 75 5.783 -0.334 4.906 1.00 42.24 C ATOM 1078 O ALA A 75 5.736 0.498 3.999 1.00 31.13 O ATOM 1079 CB ALA A 75 5.039 -2.642 4.851 1.00 64.51 C ATOM 0 H ALA A 75 7.245 -2.962 5.994 1.00 70.42 H new ATOM 0 HA ALA A 75 6.616 -1.844 3.621 1.00 41.54 H new ATOM 0 HB1 ALA A 75 4.230 -2.331 4.190 1.00 64.51 H new ATOM 0 HB2 ALA A 75 5.315 -3.672 4.626 1.00 64.51 H new ATOM 0 HB3 ALA A 75 4.708 -2.573 5.887 1.00 64.51 H new ATOM 1085 N VAL A 76 5.427 -0.040 6.164 1.00 1.51 N ATOM 1086 CA VAL A 76 4.826 1.229 6.468 1.00 64.32 C ATOM 1087 C VAL A 76 5.891 2.303 6.426 1.00 61.13 C ATOM 1088 O VAL A 76 5.619 3.415 6.014 1.00 55.22 O ATOM 1089 CB VAL A 76 4.075 1.263 7.793 1.00 70.51 C ATOM 1090 CG1 VAL A 76 2.850 0.340 7.661 1.00 72.43 C ATOM 1091 CG2 VAL A 76 5.008 0.849 8.947 1.00 44.12 C ATOM 0 H VAL A 76 5.549 -0.663 6.962 1.00 1.51 H new ATOM 0 HA VAL A 76 4.067 1.411 5.707 1.00 64.32 H new ATOM 0 HB VAL A 76 3.732 2.271 8.027 1.00 70.51 H new ATOM 0 HG11 VAL A 76 2.290 0.343 8.596 1.00 72.43 H new ATOM 0 HG12 VAL A 76 2.210 0.697 6.854 1.00 72.43 H new ATOM 0 HG13 VAL A 76 3.181 -0.675 7.439 1.00 72.43 H new ATOM 0 HG21 VAL A 76 4.458 0.878 9.888 1.00 44.12 H new ATOM 0 HG22 VAL A 76 5.376 -0.162 8.773 1.00 44.12 H new ATOM 0 HG23 VAL A 76 5.851 1.538 8.998 1.00 44.12 H new ATOM 1101 N CYS A 77 7.146 1.978 6.868 1.00 73.31 N ATOM 1102 CA CYS A 77 8.165 3.077 6.979 1.00 74.40 C ATOM 1103 C CYS A 77 8.428 3.570 5.545 1.00 4.44 C ATOM 1104 O CYS A 77 8.883 4.648 5.308 1.00 53.11 O ATOM 1105 CB CYS A 77 9.507 2.561 7.572 1.00 4.50 C ATOM 1106 SG CYS A 77 10.716 3.910 7.920 1.00 23.33 S ATOM 0 H CYS A 77 7.461 1.045 7.134 1.00 73.31 H new ATOM 0 HA CYS A 77 7.790 3.860 7.638 1.00 74.40 H new ATOM 0 HB2 CYS A 77 9.304 2.018 8.495 1.00 4.50 H new ATOM 0 HB3 CYS A 77 9.955 1.851 6.876 1.00 4.50 H new ATOM 1111 N THR A 78 8.337 2.636 4.571 1.00 10.10 N ATOM 1112 CA THR A 78 8.656 2.952 3.195 1.00 51.23 C ATOM 1113 C THR A 78 7.518 3.788 2.626 1.00 44.44 C ATOM 1114 O THR A 78 7.746 4.741 1.891 1.00 55.24 O ATOM 1115 CB THR A 78 8.886 1.697 2.356 1.00 62.45 C ATOM 1116 OG1 THR A 78 9.846 0.862 3.026 1.00 71.34 O ATOM 1117 CG2 THR A 78 9.449 2.095 0.971 1.00 11.43 C ATOM 0 H THR A 78 8.046 1.671 4.728 1.00 10.10 H new ATOM 0 HA THR A 78 9.590 3.513 3.164 1.00 51.23 H new ATOM 0 HB THR A 78 7.944 1.164 2.227 1.00 62.45 H new ATOM 0 HG1 THR A 78 9.377 0.186 3.558 1.00 71.34 H new ATOM 0 HG21 THR A 78 9.613 1.198 0.373 1.00 11.43 H new ATOM 0 HG22 THR A 78 8.737 2.745 0.462 1.00 11.43 H new ATOM 0 HG23 THR A 78 10.394 2.622 1.100 1.00 11.43 H new ATOM 1125 N LEU A 79 6.260 3.444 2.998 1.00 4.10 N ATOM 1126 CA LEU A 79 5.087 4.209 2.566 1.00 50.25 C ATOM 1127 C LEU A 79 5.171 5.593 3.157 1.00 11.03 C ATOM 1128 O LEU A 79 4.974 6.585 2.466 1.00 62.41 O ATOM 1129 CB LEU A 79 3.746 3.595 3.054 1.00 12.31 C ATOM 1130 CG LEU A 79 3.352 2.288 2.335 1.00 13.22 C ATOM 1131 CD1 LEU A 79 2.194 1.557 3.045 1.00 41.23 C ATOM 1132 CD2 LEU A 79 3.059 2.511 0.839 1.00 52.45 C ATOM 0 H LEU A 79 6.043 2.645 3.593 1.00 4.10 H new ATOM 0 HA LEU A 79 5.095 4.208 1.476 1.00 50.25 H new ATOM 0 HB2 LEU A 79 3.816 3.401 4.124 1.00 12.31 H new ATOM 0 HB3 LEU A 79 2.951 4.328 2.914 1.00 12.31 H new ATOM 0 HG LEU A 79 4.220 1.632 2.392 1.00 13.22 H new ATOM 0 HD11 LEU A 79 1.953 0.643 2.502 1.00 41.23 H new ATOM 0 HD12 LEU A 79 2.492 1.306 4.063 1.00 41.23 H new ATOM 0 HD13 LEU A 79 1.318 2.205 3.073 1.00 41.23 H new ATOM 0 HD21 LEU A 79 2.786 1.563 0.376 1.00 52.45 H new ATOM 0 HD22 LEU A 79 2.236 3.217 0.731 1.00 52.45 H new ATOM 0 HD23 LEU A 79 3.947 2.911 0.350 1.00 52.45 H new ATOM 1144 N ARG A 80 5.436 5.674 4.467 1.00 2.30 N ATOM 1145 CA ARG A 80 5.419 6.940 5.163 1.00 30.12 C ATOM 1146 C ARG A 80 6.548 7.790 4.641 1.00 2.43 C ATOM 1147 O ARG A 80 6.308 8.903 4.176 1.00 23.54 O ATOM 1148 CB ARG A 80 5.522 6.785 6.703 1.00 3.22 C ATOM 1149 CG ARG A 80 4.950 7.971 7.514 1.00 21.43 C ATOM 1150 CD ARG A 80 5.993 8.870 8.192 1.00 14.43 C ATOM 1151 NE ARG A 80 6.735 9.678 7.167 1.00 13.00 N ATOM 1152 CZ ARG A 80 8.123 9.803 7.199 1.00 11.03 C ATOM 1153 NH1 ARG A 80 8.890 9.006 8.028 1.00 23.01 N ATOM 1154 NH2 ARG A 80 8.728 10.719 6.406 1.00 4.44 N ATOM 0 H ARG A 80 5.663 4.872 5.054 1.00 2.30 H new ATOM 0 HA ARG A 80 4.458 7.418 4.972 1.00 30.12 H new ATOM 0 HB2 ARG A 80 4.999 5.875 6.998 1.00 3.22 H new ATOM 0 HB3 ARG A 80 6.570 6.651 6.971 1.00 3.22 H new ATOM 0 HG2 ARG A 80 4.344 8.585 6.848 1.00 21.43 H new ATOM 0 HG3 ARG A 80 4.282 7.577 8.280 1.00 21.43 H new ATOM 0 HD2 ARG A 80 5.502 9.535 8.902 1.00 14.43 H new ATOM 0 HD3 ARG A 80 6.695 8.259 8.760 1.00 14.43 H new ATOM 0 HE ARG A 80 6.210 10.147 6.429 1.00 13.00 H new ATOM 0 HH11 ARG A 80 8.441 8.314 8.628 1.00 23.01 H new ATOM 0 HH12 ARG A 80 9.905 9.110 8.040 1.00 23.01 H new ATOM 0 HH21 ARG A 80 8.169 11.311 5.792 1.00 4.44 H new ATOM 0 HH22 ARG A 80 9.743 10.817 6.423 1.00 4.44 H new ATOM 1168 N ASN A 81 7.810 7.268 4.700 1.00 40.31 N ATOM 1169 CA ASN A 81 9.006 8.006 4.209 1.00 13.25 C ATOM 1170 C ASN A 81 9.003 8.111 2.684 1.00 41.31 C ATOM 1171 O ASN A 81 9.916 7.657 1.999 1.00 43.12 O ATOM 1172 CB ASN A 81 10.351 7.385 4.665 1.00 53.02 C ATOM 1173 CG ASN A 81 11.486 8.379 4.376 1.00 13.02 C ATOM 1174 OD1 ASN A 81 11.449 9.541 4.818 1.00 2.12 O ATOM 1175 ND2 ASN A 81 12.513 7.932 3.636 1.00 12.43 N ATOM 0 H ASN A 81 8.020 6.345 5.081 1.00 40.31 H new ATOM 0 HA ASN A 81 8.931 8.997 4.656 1.00 13.25 H new ATOM 0 HB2 ASN A 81 10.316 7.153 5.729 1.00 53.02 H new ATOM 0 HB3 ASN A 81 10.530 6.447 4.140 1.00 53.02 H new ATOM 0 HD21 ASN A 81 13.294 8.551 3.421 1.00 12.43 H new ATOM 0 HD22 ASN A 81 12.512 6.973 3.289 1.00 12.43 H new ATOM 1182 N THR A 82 7.982 8.750 2.165 1.00 21.41 N ATOM 1183 CA THR A 82 7.887 9.109 0.789 1.00 65.03 C ATOM 1184 C THR A 82 7.960 10.614 0.732 1.00 65.13 C ATOM 1185 O THR A 82 8.149 11.286 1.755 1.00 70.43 O ATOM 1186 CB THR A 82 6.587 8.648 0.161 1.00 43.34 C ATOM 1187 OG1 THR A 82 5.495 8.814 1.084 1.00 32.54 O ATOM 1188 CG2 THR A 82 6.739 7.168 -0.207 1.00 5.42 C ATOM 0 H THR A 82 7.173 9.039 2.715 1.00 21.41 H new ATOM 0 HA THR A 82 8.692 8.630 0.232 1.00 65.03 H new ATOM 0 HB THR A 82 6.371 9.243 -0.727 1.00 43.34 H new ATOM 0 HG1 THR A 82 5.342 7.974 1.564 1.00 32.54 H new ATOM 0 HG21 THR A 82 5.816 6.810 -0.662 1.00 5.42 H new ATOM 0 HG22 THR A 82 7.561 7.051 -0.913 1.00 5.42 H new ATOM 0 HG23 THR A 82 6.949 6.589 0.692 1.00 5.42 H new ATOM 1196 N GLY A 83 7.806 11.160 -0.481 1.00 64.40 N ATOM 1197 CA GLY A 83 7.795 12.584 -0.674 1.00 65.12 C ATOM 1198 C GLY A 83 6.375 13.028 -0.510 1.00 63.45 C ATOM 1199 O GLY A 83 5.655 12.538 0.366 1.00 22.51 O ATOM 0 H GLY A 83 7.688 10.619 -1.337 1.00 64.40 H new ATOM 0 HA2 GLY A 83 8.441 13.078 0.051 1.00 65.12 H new ATOM 0 HA3 GLY A 83 8.170 12.844 -1.664 1.00 65.12 H new ATOM 1203 N GLN A 84 5.953 13.991 -1.352 1.00 34.51 N ATOM 1204 CA GLN A 84 4.615 14.523 -1.284 1.00 25.20 C ATOM 1205 C GLN A 84 3.641 13.449 -1.717 1.00 21.31 C ATOM 1206 O GLN A 84 2.697 13.121 -0.991 1.00 25.32 O ATOM 1207 CB GLN A 84 4.427 15.744 -2.219 1.00 1.25 C ATOM 1208 CG GLN A 84 3.035 16.372 -2.132 1.00 45.31 C ATOM 1209 CD GLN A 84 2.961 17.511 -3.141 1.00 74.34 C ATOM 1210 OE1 GLN A 84 3.230 17.315 -4.330 1.00 65.00 O ATOM 1211 NE2 GLN A 84 2.603 18.718 -2.683 1.00 55.11 N ATOM 0 H GLN A 84 6.534 14.404 -2.081 1.00 34.51 H new ATOM 0 HA GLN A 84 4.436 14.842 -0.257 1.00 25.20 H new ATOM 0 HB2 GLN A 84 5.173 16.499 -1.972 1.00 1.25 H new ATOM 0 HB3 GLN A 84 4.614 15.436 -3.248 1.00 1.25 H new ATOM 0 HG2 GLN A 84 2.268 15.627 -2.344 1.00 45.31 H new ATOM 0 HG3 GLN A 84 2.848 16.744 -1.125 1.00 45.31 H new ATOM 0 HE21 GLN A 84 2.387 18.845 -1.694 1.00 55.11 H new ATOM 0 HE22 GLN A 84 2.546 19.510 -3.323 1.00 55.11 H new ATOM 1220 N VAL A 85 3.842 12.893 -2.916 1.00 22.43 N ATOM 1221 CA VAL A 85 2.957 11.892 -3.436 1.00 34.13 C ATOM 1222 C VAL A 85 3.591 10.548 -3.195 1.00 35.02 C ATOM 1223 O VAL A 85 4.822 10.400 -3.262 1.00 55.32 O ATOM 1224 CB VAL A 85 2.753 12.109 -4.927 1.00 2.41 C ATOM 1225 CG1 VAL A 85 1.976 10.956 -5.564 1.00 23.52 C ATOM 1226 CG2 VAL A 85 2.027 13.448 -5.076 1.00 51.23 C ATOM 0 H VAL A 85 4.618 13.133 -3.533 1.00 22.43 H new ATOM 0 HA VAL A 85 1.986 11.948 -2.944 1.00 34.13 H new ATOM 0 HB VAL A 85 3.708 12.133 -5.452 1.00 2.41 H new ATOM 0 HG11 VAL A 85 1.850 11.147 -6.630 1.00 23.52 H new ATOM 0 HG12 VAL A 85 2.526 10.026 -5.425 1.00 23.52 H new ATOM 0 HG13 VAL A 85 0.997 10.873 -5.092 1.00 23.52 H new ATOM 0 HG21 VAL A 85 1.855 13.653 -6.133 1.00 51.23 H new ATOM 0 HG22 VAL A 85 1.071 13.403 -4.555 1.00 51.23 H new ATOM 0 HG23 VAL A 85 2.637 14.243 -4.647 1.00 51.23 H new ATOM 1236 N VAL A 86 2.750 9.530 -2.895 1.00 64.05 N ATOM 1237 CA VAL A 86 3.211 8.180 -2.694 1.00 62.41 C ATOM 1238 C VAL A 86 2.988 7.478 -3.994 1.00 31.24 C ATOM 1239 O VAL A 86 1.867 7.463 -4.521 1.00 31.05 O ATOM 1240 CB VAL A 86 2.387 7.414 -1.657 1.00 41.02 C ATOM 1241 CG1 VAL A 86 3.021 6.023 -1.391 1.00 21.23 C ATOM 1242 CG2 VAL A 86 2.258 8.269 -0.396 1.00 73.41 C ATOM 0 H VAL A 86 1.742 9.644 -2.791 1.00 64.05 H new ATOM 0 HA VAL A 86 4.246 8.214 -2.353 1.00 62.41 H new ATOM 0 HB VAL A 86 1.380 7.223 -2.029 1.00 41.02 H new ATOM 0 HG11 VAL A 86 2.426 5.487 -0.651 1.00 21.23 H new ATOM 0 HG12 VAL A 86 3.047 5.452 -2.319 1.00 21.23 H new ATOM 0 HG13 VAL A 86 4.036 6.152 -1.016 1.00 21.23 H new ATOM 0 HG21 VAL A 86 1.672 7.732 0.350 1.00 73.41 H new ATOM 0 HG22 VAL A 86 3.250 8.479 0.004 1.00 73.41 H new ATOM 0 HG23 VAL A 86 1.760 9.207 -0.642 1.00 73.41 H new ATOM 1252 N HIS A 87 4.033 6.878 -4.534 1.00 42.54 N ATOM 1253 CA HIS A 87 3.903 6.031 -5.689 1.00 11.32 C ATOM 1254 C HIS A 87 3.850 4.651 -5.147 1.00 43.30 C ATOM 1255 O HIS A 87 4.786 4.217 -4.488 1.00 63.10 O ATOM 1256 CB HIS A 87 5.137 6.090 -6.631 1.00 33.11 C ATOM 1257 CG HIS A 87 5.405 7.459 -7.185 1.00 40.53 C ATOM 1258 ND1 HIS A 87 4.588 8.046 -8.099 1.00 33.05 N ATOM 1259 CD2 HIS A 87 6.402 8.332 -6.912 1.00 21.44 C ATOM 1260 CE1 HIS A 87 5.075 9.251 -8.385 1.00 52.21 C ATOM 1261 NE2 HIS A 87 6.180 9.448 -7.667 1.00 21.42 N ATOM 0 H HIS A 87 4.986 6.968 -4.182 1.00 42.54 H new ATOM 0 HA HIS A 87 3.032 6.342 -6.266 1.00 11.32 H new ATOM 0 HB2 HIS A 87 6.017 5.749 -6.085 1.00 33.11 H new ATOM 0 HB3 HIS A 87 4.986 5.396 -7.458 1.00 33.11 H new ATOM 0 HD2 HIS A 87 7.221 8.175 -6.225 1.00 21.44 H new ATOM 0 HE1 HIS A 87 4.645 9.953 -9.084 1.00 52.21 H new ATOM 0 HE2 HIS A 87 6.760 10.287 -7.679 1.00 21.42 H new ATOM 1270 N LEU A 88 2.747 3.939 -5.360 1.00 60.43 N ATOM 1271 CA LEU A 88 2.662 2.599 -4.839 1.00 55.22 C ATOM 1272 C LEU A 88 1.733 1.821 -5.693 1.00 41.32 C ATOM 1273 O LEU A 88 0.649 2.273 -6.039 1.00 15.20 O ATOM 1274 CB LEU A 88 2.211 2.499 -3.343 1.00 65.50 C ATOM 1275 CG LEU A 88 0.739 2.923 -3.015 1.00 14.03 C ATOM 1276 CD1 LEU A 88 0.467 2.874 -1.512 1.00 35.11 C ATOM 1277 CD2 LEU A 88 0.308 4.274 -3.621 1.00 53.42 C ATOM 0 H LEU A 88 1.928 4.264 -5.875 1.00 60.43 H new ATOM 0 HA LEU A 88 3.674 2.195 -4.860 1.00 55.22 H new ATOM 0 HB2 LEU A 88 2.348 1.468 -3.016 1.00 65.50 H new ATOM 0 HB3 LEU A 88 2.882 3.115 -2.745 1.00 65.50 H new ATOM 0 HG LEU A 88 0.114 2.179 -3.509 1.00 14.03 H new ATOM 0 HD11 LEU A 88 -0.563 3.174 -1.319 1.00 35.11 H new ATOM 0 HD12 LEU A 88 0.624 1.859 -1.147 1.00 35.11 H new ATOM 0 HD13 LEU A 88 1.146 3.554 -0.997 1.00 35.11 H new ATOM 0 HD21 LEU A 88 -0.724 4.485 -3.342 1.00 53.42 H new ATOM 0 HD22 LEU A 88 0.955 5.065 -3.243 1.00 53.42 H new ATOM 0 HD23 LEU A 88 0.388 4.228 -4.707 1.00 53.42 H new ATOM 1289 N LEU A 89 2.176 0.643 -6.116 1.00 4.34 N ATOM 1290 CA LEU A 89 1.354 -0.242 -6.903 1.00 32.44 C ATOM 1291 C LEU A 89 0.486 -1.014 -5.983 1.00 30.22 C ATOM 1292 O LEU A 89 0.905 -1.412 -4.887 1.00 11.44 O ATOM 1293 CB LEU A 89 2.178 -1.280 -7.703 1.00 33.12 C ATOM 1294 CG LEU A 89 2.706 -0.765 -9.046 1.00 35.53 C ATOM 1295 CD1 LEU A 89 3.464 0.558 -8.921 1.00 13.31 C ATOM 1296 CD2 LEU A 89 3.500 -1.838 -9.812 1.00 42.43 C ATOM 0 H LEU A 89 3.110 0.284 -5.920 1.00 4.34 H new ATOM 0 HA LEU A 89 0.797 0.380 -7.603 1.00 32.44 H new ATOM 0 HB2 LEU A 89 3.022 -1.604 -7.094 1.00 33.12 H new ATOM 0 HB3 LEU A 89 1.558 -2.159 -7.882 1.00 33.12 H new ATOM 0 HG LEU A 89 1.828 -0.543 -9.652 1.00 35.53 H new ATOM 0 HD11 LEU A 89 3.813 0.872 -9.905 1.00 13.31 H new ATOM 0 HD12 LEU A 89 2.801 1.320 -8.512 1.00 13.31 H new ATOM 0 HD13 LEU A 89 4.319 0.426 -8.258 1.00 13.31 H new ATOM 0 HD21 LEU A 89 3.853 -1.424 -10.757 1.00 42.43 H new ATOM 0 HD22 LEU A 89 4.354 -2.155 -9.213 1.00 42.43 H new ATOM 0 HD23 LEU A 89 2.856 -2.695 -10.009 1.00 42.43 H new ATOM 1308 N LEU A 90 -0.736 -1.252 -6.446 1.00 3.23 N ATOM 1309 CA LEU A 90 -1.700 -2.018 -5.695 1.00 75.14 C ATOM 1310 C LEU A 90 -1.983 -3.256 -6.503 1.00 14.03 C ATOM 1311 O LEU A 90 -1.784 -3.274 -7.726 1.00 12.34 O ATOM 1312 CB LEU A 90 -3.088 -1.327 -5.469 1.00 2.23 C ATOM 1313 CG LEU A 90 -3.110 0.226 -5.372 1.00 1.41 C ATOM 1314 CD1 LEU A 90 -2.312 0.822 -4.212 1.00 12.11 C ATOM 1315 CD2 LEU A 90 -2.810 0.918 -6.704 1.00 41.13 C ATOM 0 H LEU A 90 -1.076 -0.918 -7.348 1.00 3.23 H new ATOM 0 HA LEU A 90 -1.263 -2.179 -4.710 1.00 75.14 H new ATOM 0 HB2 LEU A 90 -3.748 -1.622 -6.285 1.00 2.23 H new ATOM 0 HB3 LEU A 90 -3.518 -1.728 -4.551 1.00 2.23 H new ATOM 0 HG LEU A 90 -4.148 0.447 -5.125 1.00 1.41 H new ATOM 0 HD11 LEU A 90 -2.393 1.909 -4.235 1.00 12.11 H new ATOM 0 HD12 LEU A 90 -2.709 0.449 -3.268 1.00 12.11 H new ATOM 0 HD13 LEU A 90 -1.265 0.534 -4.305 1.00 12.11 H new ATOM 0 HD21 LEU A 90 -2.841 1.999 -6.567 1.00 41.13 H new ATOM 0 HD22 LEU A 90 -1.820 0.624 -7.052 1.00 41.13 H new ATOM 0 HD23 LEU A 90 -3.556 0.624 -7.443 1.00 41.13 H new ATOM 1327 N GLU A 91 -2.492 -4.302 -5.840 1.00 20.45 N ATOM 1328 CA GLU A 91 -3.011 -5.469 -6.499 1.00 52.01 C ATOM 1329 C GLU A 91 -4.377 -5.591 -5.910 1.00 44.40 C ATOM 1330 O GLU A 91 -4.521 -5.494 -4.693 1.00 10.42 O ATOM 1331 CB GLU A 91 -2.221 -6.760 -6.104 1.00 3.31 C ATOM 1332 CG GLU A 91 -2.796 -8.097 -6.632 1.00 31.35 C ATOM 1333 CD GLU A 91 -1.995 -9.231 -6.003 1.00 43.42 C ATOM 1334 OE1 GLU A 91 -2.041 -9.388 -4.762 1.00 21.33 O ATOM 1335 OE2 GLU A 91 -1.305 -9.975 -6.741 1.00 33.51 O ATOM 0 H GLU A 91 -2.548 -4.346 -4.822 1.00 20.45 H new ATOM 0 HA GLU A 91 -2.963 -5.376 -7.584 1.00 52.01 H new ATOM 0 HB2 GLU A 91 -1.197 -6.660 -6.465 1.00 3.31 H new ATOM 0 HB3 GLU A 91 -2.172 -6.813 -5.016 1.00 3.31 H new ATOM 0 HG2 GLU A 91 -3.851 -8.187 -6.375 1.00 31.35 H new ATOM 0 HG3 GLU A 91 -2.728 -8.139 -7.719 1.00 31.35 H new ATOM 1342 N LYS A 92 -5.427 -5.773 -6.755 1.00 54.22 N ATOM 1343 CA LYS A 92 -6.782 -5.914 -6.215 1.00 34.04 C ATOM 1344 C LYS A 92 -6.850 -7.226 -5.465 1.00 21.42 C ATOM 1345 O LYS A 92 -6.312 -8.244 -5.919 1.00 23.21 O ATOM 1346 CB LYS A 92 -7.922 -5.882 -7.268 1.00 3.23 C ATOM 1347 CG LYS A 92 -8.032 -4.548 -8.037 1.00 41.21 C ATOM 1348 CD LYS A 92 -8.212 -3.301 -7.135 1.00 2.33 C ATOM 1349 CE LYS A 92 -9.424 -3.360 -6.213 1.00 12.32 C ATOM 1350 NZ LYS A 92 -9.457 -2.209 -5.304 1.00 15.51 N ATOM 0 H LYS A 92 -5.356 -5.822 -7.771 1.00 54.22 H new ATOM 0 HA LYS A 92 -6.950 -5.046 -5.578 1.00 34.04 H new ATOM 0 HB2 LYS A 92 -7.764 -6.689 -7.983 1.00 3.23 H new ATOM 0 HB3 LYS A 92 -8.870 -6.080 -6.768 1.00 3.23 H new ATOM 0 HG2 LYS A 92 -7.135 -4.417 -8.642 1.00 41.21 H new ATOM 0 HG3 LYS A 92 -8.875 -4.608 -8.725 1.00 41.21 H new ATOM 0 HD2 LYS A 92 -7.315 -3.174 -6.528 1.00 2.33 H new ATOM 0 HD3 LYS A 92 -8.296 -2.418 -7.769 1.00 2.33 H new ATOM 0 HE2 LYS A 92 -10.336 -3.382 -6.809 1.00 12.32 H new ATOM 0 HE3 LYS A 92 -9.399 -4.283 -5.634 1.00 12.32 H new ATOM 0 HZ1 LYS A 92 -10.022 -2.446 -4.464 1.00 15.51 H new ATOM 0 HZ2 LYS A 92 -8.488 -1.968 -5.013 1.00 15.51 H new ATOM 0 HZ3 LYS A 92 -9.885 -1.395 -5.790 1.00 15.51 H new ATOM 1364 N GLY A 93 -7.483 -7.208 -4.275 1.00 53.14 N ATOM 1365 CA GLY A 93 -7.375 -8.360 -3.371 1.00 13.32 C ATOM 1366 C GLY A 93 -8.717 -8.764 -2.870 1.00 72.50 C ATOM 1367 O GLY A 93 -8.828 -9.593 -1.960 1.00 43.13 O ATOM 0 H GLY A 93 -8.054 -6.436 -3.930 1.00 53.14 H new ATOM 0 HA2 GLY A 93 -6.910 -9.196 -3.893 1.00 13.32 H new ATOM 0 HA3 GLY A 93 -6.728 -8.109 -2.530 1.00 13.32 H new ATOM 1371 N GLN A 94 -9.783 -8.219 -3.470 1.00 15.24 N ATOM 1372 CA GLN A 94 -11.157 -8.632 -3.120 1.00 71.25 C ATOM 1373 C GLN A 94 -11.309 -10.079 -3.506 1.00 74.14 C ATOM 1374 O GLN A 94 -11.915 -10.852 -2.792 1.00 22.11 O ATOM 1375 CB GLN A 94 -12.271 -7.833 -3.834 1.00 4.11 C ATOM 1376 CG GLN A 94 -12.385 -6.361 -3.383 1.00 10.45 C ATOM 1377 CD GLN A 94 -11.110 -5.676 -3.784 1.00 50.25 C ATOM 1378 OE1 GLN A 94 -10.665 -5.847 -4.919 1.00 55.10 O ATOM 1379 NE2 GLN A 94 -10.478 -4.929 -2.860 1.00 10.30 N ATOM 0 H GLN A 94 -9.728 -7.500 -4.191 1.00 15.24 H new ATOM 0 HA GLN A 94 -11.278 -8.448 -2.053 1.00 71.25 H new ATOM 0 HB2 GLN A 94 -12.089 -7.859 -4.908 1.00 4.11 H new ATOM 0 HB3 GLN A 94 -13.226 -8.329 -3.661 1.00 4.11 H new ATOM 0 HG2 GLN A 94 -13.244 -5.880 -3.851 1.00 10.45 H new ATOM 0 HG3 GLN A 94 -12.533 -6.299 -2.305 1.00 10.45 H new ATOM 0 HE21 GLN A 94 -10.884 -4.815 -1.931 1.00 10.30 H new ATOM 0 HE22 GLN A 94 -9.593 -4.477 -3.088 1.00 10.30 H new ATOM 1388 N SER A 95 -10.696 -10.468 -4.628 1.00 73.15 N ATOM 1389 CA SER A 95 -10.610 -11.871 -4.957 1.00 11.44 C ATOM 1390 C SER A 95 -9.133 -12.181 -4.932 1.00 3.24 C ATOM 1391 O SER A 95 -8.425 -11.898 -5.897 1.00 61.32 O ATOM 1392 CB SER A 95 -11.134 -12.215 -6.355 1.00 40.23 C ATOM 1393 OG SER A 95 -12.442 -11.661 -6.530 1.00 11.33 O ATOM 0 H SER A 95 -10.264 -9.837 -5.303 1.00 73.15 H new ATOM 0 HA SER A 95 -11.217 -12.441 -4.254 1.00 11.44 H new ATOM 0 HB2 SER A 95 -10.458 -11.822 -7.114 1.00 40.23 H new ATOM 0 HB3 SER A 95 -11.166 -13.297 -6.486 1.00 40.23 H new ATOM 0 HG SER A 95 -12.773 -11.881 -7.426 1.00 11.33 H new ATOM 1399 N PRO A 96 -8.641 -12.719 -3.809 1.00 61.12 N ATOM 1400 CA PRO A 96 -7.221 -12.991 -3.640 1.00 33.20 C ATOM 1401 C PRO A 96 -6.863 -14.121 -4.560 1.00 22.42 C ATOM 1402 O PRO A 96 -7.261 -15.251 -4.283 1.00 34.12 O ATOM 1403 CB PRO A 96 -7.084 -13.400 -2.159 1.00 1.24 C ATOM 1404 CG PRO A 96 -8.482 -13.926 -1.762 1.00 42.30 C ATOM 1405 CD PRO A 96 -9.438 -13.106 -2.637 1.00 15.42 C ATOM 0 HA PRO A 96 -6.566 -12.151 -3.873 1.00 33.20 H new ATOM 0 HB2 PRO A 96 -6.321 -14.168 -2.030 1.00 1.24 H new ATOM 0 HB3 PRO A 96 -6.790 -12.552 -1.540 1.00 1.24 H new ATOM 0 HG2 PRO A 96 -8.578 -14.994 -1.956 1.00 42.30 H new ATOM 0 HG3 PRO A 96 -8.681 -13.775 -0.701 1.00 42.30 H new ATOM 0 HD2 PRO A 96 -10.309 -13.693 -2.928 1.00 15.42 H new ATOM 0 HD3 PRO A 96 -9.808 -12.230 -2.104 1.00 15.42 H new ATOM 1413 N THR A 97 -6.157 -13.853 -5.666 1.00 71.42 N ATOM 1414 CA THR A 97 -5.850 -14.881 -6.598 1.00 0.51 C ATOM 1415 C THR A 97 -4.341 -14.761 -6.804 1.00 34.02 C ATOM 1416 O THR A 97 -3.599 -15.687 -6.425 1.00 21.11 O ATOM 1417 CB THR A 97 -6.542 -14.642 -7.926 1.00 31.21 C ATOM 1418 OG1 THR A 97 -7.922 -14.329 -7.689 1.00 62.13 O ATOM 1419 CG2 THR A 97 -6.422 -15.915 -8.793 1.00 70.04 C ATOM 0 H THR A 97 -5.801 -12.930 -5.913 1.00 71.42 H new ATOM 0 HA THR A 97 -6.171 -15.858 -6.237 1.00 0.51 H new ATOM 0 HB THR A 97 -6.075 -13.808 -8.450 1.00 31.21 H new ATOM 0 HG1 THR A 97 -7.988 -13.458 -7.245 1.00 62.13 H new ATOM 0 HG21 THR A 97 -6.917 -15.751 -9.750 1.00 70.04 H new ATOM 0 HG22 THR A 97 -5.369 -16.141 -8.963 1.00 70.04 H new ATOM 0 HG23 THR A 97 -6.895 -16.752 -8.278 1.00 70.04 H new TER 1427 THR A 97 HETATM 1428 C1 33B A 101 -3.479 2.080 11.049 1.00 4.24 C HETATM 1429 C2 33B A 101 -3.986 3.247 11.922 1.00 51.44 C HETATM 1430 O2 33B A 101 -5.154 3.224 12.342 1.00 41.34 O HETATM 1431 N3 33B A 101 -3.165 4.358 12.197 1.00 73.10 N HETATM 1432 C4 33B A 101 -1.604 4.458 12.104 1.00 33.22 C HETATM 1433 C5 33B A 101 -0.788 3.318 11.839 1.00 53.32 C HETATM 1434 C6 33B A 101 -0.911 5.752 12.334 1.00 72.20 C HETATM 1435 S6 33B A 101 -1.766 7.282 12.765 1.00 24.02 S HETATM 1436 C7 33B A 101 0.593 3.426 11.771 1.00 21.20 C HETATM 1437 C8 33B A 101 0.496 5.790 12.210 1.00 12.31 C HETATM 1438 C9 33B A 101 1.239 4.664 11.930 1.00 41.42 C HETATM 1439 N10 33B A 101 2.728 4.782 11.858 1.00 43.50 N HETATM 1440 N11 33B A 101 3.495 3.819 11.696 1.00 32.40 N HETATM 1441 C12 33B A 101 4.976 3.969 11.578 1.00 63.11 C HETATM 1442 C13 33B A 101 5.759 2.835 11.434 1.00 31.32 C HETATM 1443 C14 33B A 101 5.579 5.241 11.510 1.00 54.12 C HETATM 1444 C15 33B A 101 7.116 2.913 11.187 1.00 11.40 C HETATM 1445 C16 33B A 101 6.968 5.385 11.259 1.00 52.14 C HETATM 1446 C17 33B A 101 7.769 4.168 11.071 1.00 4.10 C HETATM 1447 S17 33B A 101 7.679 7.039 11.210 1.00 50.45 S HETATM 1448 N18 33B A 101 9.260 4.242 10.682 1.00 45.34 N HETATM 1449 C19 33B A 101 10.072 3.129 10.490 1.00 70.23 C HETATM 1450 O19 33B A 101 9.847 2.025 10.999 1.00 61.13 O HETATM 1451 C20 33B A 101 11.283 3.306 9.565 1.00 75.51 C HETATM 1452 O61 33B A 101 -2.714 6.864 13.791 1.00 33.11 O HETATM 1453 O62 33B A 101 -0.697 8.146 13.259 1.00 63.25 O HETATM 1454 O63 33B A 101 -2.349 7.693 11.525 1.00 4.42 O HETATM 1455 O71 33B A 101 8.370 7.077 9.940 1.00 74.23 O HETATM 1456 O72 33B A 101 6.532 7.926 11.296 1.00 32.25 O HETATM 1457 O73 33B A 101 8.523 7.049 12.382 1.00 51.42 O HETATM 0 HO72 33B A 101 6.836 8.857 11.276 1.00 32.25 H new HETATM 0 HO62 33B A 101 -1.072 9.013 13.520 1.00 63.25 H new HETATM 0 HN18 33B A 101 9.676 5.165 10.558 1.00 45.34 H new HETATM 0 HN3 33B A 101 -3.648 5.206 12.495 1.00 73.10 H new HETATM 0 H8 33B A 101 1.011 6.742 12.340 1.00 12.31 H new HETATM 0 H7 33B A 101 1.190 2.532 11.590 1.00 21.20 H new HETATM 0 H5 33B A 101 -1.258 2.346 11.687 1.00 53.32 H new HETATM 0 H15 33B A 101 7.695 1.996 11.079 1.00 11.40 H new HETATM 0 H14 33B A 101 4.967 6.131 11.653 1.00 54.12 H new HETATM 0 H13 33B A 101 5.291 1.854 11.518 1.00 31.32 H new