USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=20 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 54 HIS : no HE2:sc= -1.11! C(o=-3.9!,f=-3.8!) USER MOD Set 1.2: A 94 GLN : amide:sc= -2.81! K(o=-3.9!,f=-6.7) USER MOD Set 2.1: A 14 LYS NZ :NH3+ 176:sc= 1.64 (180deg=0.891) USER MOD Set 2.2: A 82 THR OG1 : rot -54:sc= 1.63 USER MOD Single : A 1 GLY N :NH3+ -115:sc= 0.168 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 179:sc= 1.2 (180deg=1.13) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=-0.088) USER MOD Single : A 17 ASN : amide:sc= 1.29 K(o=1.3,f=-0.04) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.0126 USER MOD Single : A 28 ASN : amide:sc= -0.0312 X(o=-0.031,f=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.228 USER MOD Single : A 30 SER OG : rot 180:sc= 0.0133 USER MOD Single : A 33 HIS : no HD1:sc=-0.00274 X(o=-0.0027,f=-0.073) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -152:sc= 0.553 (180deg=-0.181) USER MOD Single : A 44 GLN : amide:sc= -0.134 X(o=-0.13,f=-0.006) USER MOD Single : A 49 SER OG : rot 74:sc= 0.686 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -0.286 K(o=-0.29,f=-1.2) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.0114 USER MOD Single : A 72 HIS : no HD1:sc= -0.326 X(o=-0.33,f=-0.32) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -0.034 X(o=-0.034,f=-0.1) USER MOD Single : A 78 THR OG1 : rot 69:sc= 1.24 USER MOD Single : A 81 ASN : amide:sc= -0.509 X(o=-0.51,f=-0.22) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 HIS : no HD1:sc= -1.5 K(o=-1.5,f=0) USER MOD Single : A 92 LYS NZ :NH3+ -155:sc= 1.14 (180deg=0.831) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 57:sc= 0.317 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 -13.988 0.936 -11.557 1.00 72.10 N ATOM 2 CA GLY A 1 -12.837 0.476 -10.796 1.00 10.23 C ATOM 3 C GLY A 1 -12.330 -0.777 -11.417 1.00 63.03 C ATOM 4 O GLY A 1 -12.969 -1.378 -12.308 1.00 24.20 O ATOM 0 H1 GLY A 1 -13.765 1.847 -12.007 1.00 72.10 H new ATOM 0 H2 GLY A 1 -14.222 0.236 -12.289 1.00 72.10 H new ATOM 0 H3 GLY A 1 -14.801 1.055 -10.919 1.00 72.10 H new ATOM 0 HA2 GLY A 1 -12.058 1.238 -10.790 1.00 10.23 H new ATOM 0 HA3 GLY A 1 -13.116 0.298 -9.758 1.00 10.23 H new ATOM 10 N PRO A 2 -11.140 -1.180 -10.979 1.00 61.25 N ATOM 11 CA PRO A 2 -10.478 -2.371 -11.472 1.00 14.43 C ATOM 12 C PRO A 2 -11.280 -3.582 -11.060 1.00 40.35 C ATOM 13 O PRO A 2 -12.034 -3.521 -10.085 1.00 45.05 O ATOM 14 CB PRO A 2 -9.093 -2.346 -10.793 1.00 10.33 C ATOM 15 CG PRO A 2 -9.295 -1.480 -9.542 1.00 61.04 C ATOM 16 CD PRO A 2 -10.362 -0.474 -9.960 1.00 40.34 C ATOM 0 HA PRO A 2 -10.385 -2.408 -12.557 1.00 14.43 H new ATOM 0 HB2 PRO A 2 -8.761 -3.351 -10.531 1.00 10.33 H new ATOM 0 HB3 PRO A 2 -8.335 -1.921 -11.452 1.00 10.33 H new ATOM 0 HG2 PRO A 2 -9.621 -2.078 -8.691 1.00 61.04 H new ATOM 0 HG3 PRO A 2 -8.371 -0.983 -9.247 1.00 61.04 H new ATOM 0 HD2 PRO A 2 -10.985 -0.180 -9.115 1.00 40.34 H new ATOM 0 HD3 PRO A 2 -9.916 0.437 -10.359 1.00 40.34 H new ATOM 24 N LYS A 3 -11.143 -4.655 -11.821 1.00 62.44 N ATOM 25 CA LYS A 3 -11.856 -5.876 -11.594 1.00 54.40 C ATOM 26 C LYS A 3 -10.923 -6.727 -10.758 1.00 33.43 C ATOM 27 O LYS A 3 -9.732 -6.430 -10.663 1.00 53.12 O ATOM 28 CB LYS A 3 -12.216 -6.615 -12.939 1.00 74.34 C ATOM 29 CG LYS A 3 -11.075 -6.752 -13.974 1.00 71.24 C ATOM 30 CD LYS A 3 -10.696 -5.463 -14.723 1.00 62.24 C ATOM 31 CE LYS A 3 -9.760 -5.712 -15.912 1.00 22.43 C ATOM 32 NZ LYS A 3 -9.256 -4.431 -16.432 1.00 12.20 N ATOM 0 H LYS A 3 -10.518 -4.690 -12.626 1.00 62.44 H new ATOM 0 HA LYS A 3 -12.808 -5.684 -11.100 1.00 54.40 H new ATOM 0 HB2 LYS A 3 -12.577 -7.614 -12.694 1.00 74.34 H new ATOM 0 HB3 LYS A 3 -13.043 -6.084 -13.410 1.00 74.34 H new ATOM 0 HG2 LYS A 3 -10.189 -7.127 -13.463 1.00 71.24 H new ATOM 0 HG3 LYS A 3 -11.363 -7.505 -14.707 1.00 71.24 H new ATOM 0 HD2 LYS A 3 -11.604 -4.976 -15.079 1.00 62.24 H new ATOM 0 HD3 LYS A 3 -10.216 -4.774 -14.028 1.00 62.24 H new ATOM 0 HE2 LYS A 3 -8.926 -6.342 -15.603 1.00 22.43 H new ATOM 0 HE3 LYS A 3 -10.291 -6.249 -16.698 1.00 22.43 H new ATOM 0 HZ1 LYS A 3 -8.609 -4.609 -17.227 1.00 12.20 H new ATOM 0 HZ2 LYS A 3 -10.055 -3.851 -16.759 1.00 12.20 H new ATOM 0 HZ3 LYS A 3 -8.747 -3.926 -15.678 1.00 12.20 H new ATOM 46 N PRO A 4 -11.464 -7.768 -10.087 1.00 74.42 N ATOM 47 CA PRO A 4 -10.687 -8.615 -9.190 1.00 34.11 C ATOM 48 C PRO A 4 -9.518 -9.246 -9.924 1.00 4.12 C ATOM 49 O PRO A 4 -9.732 -10.065 -10.815 1.00 62.24 O ATOM 50 CB PRO A 4 -11.686 -9.669 -8.664 1.00 53.33 C ATOM 51 CG PRO A 4 -12.875 -9.612 -9.645 1.00 61.42 C ATOM 52 CD PRO A 4 -12.883 -8.153 -10.107 1.00 55.32 C ATOM 0 HA PRO A 4 -10.243 -8.054 -8.368 1.00 34.11 H new ATOM 0 HB2 PRO A 4 -11.238 -10.662 -8.643 1.00 53.33 H new ATOM 0 HB3 PRO A 4 -12.002 -9.441 -7.646 1.00 53.33 H new ATOM 0 HG2 PRO A 4 -12.739 -10.298 -10.481 1.00 61.42 H new ATOM 0 HG3 PRO A 4 -13.811 -9.885 -9.158 1.00 61.42 H new ATOM 0 HD2 PRO A 4 -13.310 -8.052 -11.105 1.00 55.32 H new ATOM 0 HD3 PRO A 4 -13.476 -7.526 -9.441 1.00 55.32 H new ATOM 60 N GLY A 5 -8.284 -8.888 -9.527 1.00 64.12 N ATOM 61 CA GLY A 5 -7.099 -9.510 -10.110 1.00 41.40 C ATOM 62 C GLY A 5 -6.546 -8.610 -11.171 1.00 33.53 C ATOM 63 O GLY A 5 -5.683 -9.014 -11.955 1.00 2.21 O ATOM 0 H GLY A 5 -8.090 -8.182 -8.816 1.00 64.12 H new ATOM 0 HA2 GLY A 5 -6.349 -9.687 -9.339 1.00 41.40 H new ATOM 0 HA3 GLY A 5 -7.354 -10.480 -10.535 1.00 41.40 H new ATOM 67 N ASP A 6 -7.022 -7.358 -11.227 1.00 64.45 N ATOM 68 CA ASP A 6 -6.503 -6.422 -12.203 1.00 4.44 C ATOM 69 C ASP A 6 -5.398 -5.706 -11.498 1.00 14.32 C ATOM 70 O ASP A 6 -5.541 -5.356 -10.322 1.00 0.02 O ATOM 71 CB ASP A 6 -7.544 -5.370 -12.658 1.00 11.53 C ATOM 72 CG ASP A 6 -7.064 -4.631 -13.901 1.00 3.01 C ATOM 73 OD1 ASP A 6 -6.028 -5.010 -14.490 1.00 33.21 O ATOM 74 OD2 ASP A 6 -7.763 -3.684 -14.329 1.00 71.22 O ATOM 0 H ASP A 6 -7.750 -6.987 -10.617 1.00 64.45 H new ATOM 0 HA ASP A 6 -6.197 -6.961 -13.099 1.00 4.44 H new ATOM 0 HB2 ASP A 6 -8.495 -5.860 -12.866 1.00 11.53 H new ATOM 0 HB3 ASP A 6 -7.722 -4.657 -11.853 1.00 11.53 H new ATOM 79 N ILE A 7 -4.261 -5.519 -12.177 1.00 31.14 N ATOM 80 CA ILE A 7 -3.135 -4.832 -11.600 1.00 64.54 C ATOM 81 C ILE A 7 -3.275 -3.421 -12.084 1.00 72.52 C ATOM 82 O ILE A 7 -3.521 -3.183 -13.274 1.00 63.35 O ATOM 83 CB ILE A 7 -1.755 -5.388 -12.040 1.00 44.33 C ATOM 84 CG1 ILE A 7 -1.518 -6.842 -11.549 1.00 11.44 C ATOM 85 CG2 ILE A 7 -0.638 -4.443 -11.533 1.00 20.52 C ATOM 86 CD1 ILE A 7 -2.371 -7.903 -12.233 1.00 42.52 C ATOM 0 H ILE A 7 -4.111 -5.842 -13.133 1.00 31.14 H new ATOM 0 HA ILE A 7 -3.150 -4.946 -10.516 1.00 64.54 H new ATOM 0 HB ILE A 7 -1.737 -5.426 -13.129 1.00 44.33 H new ATOM 0 HG12 ILE A 7 -0.467 -7.092 -11.697 1.00 11.44 H new ATOM 0 HG13 ILE A 7 -1.707 -6.882 -10.476 1.00 11.44 H new ATOM 0 HG21 ILE A 7 0.333 -4.830 -11.840 1.00 20.52 H new ATOM 0 HG22 ILE A 7 -0.783 -3.449 -11.956 1.00 20.52 H new ATOM 0 HG23 ILE A 7 -0.677 -4.384 -10.445 1.00 20.52 H new ATOM 0 HD11 ILE A 7 -2.132 -8.883 -11.821 1.00 42.52 H new ATOM 0 HD12 ILE A 7 -3.426 -7.686 -12.064 1.00 42.52 H new ATOM 0 HD13 ILE A 7 -2.167 -7.900 -13.304 1.00 42.52 H new ATOM 98 N PHE A 8 -3.154 -2.463 -11.177 1.00 64.50 N ATOM 99 CA PHE A 8 -3.347 -1.089 -11.516 1.00 72.43 C ATOM 100 C PHE A 8 -2.375 -0.346 -10.679 1.00 51.12 C ATOM 101 O PHE A 8 -1.990 -0.820 -9.611 1.00 60.45 O ATOM 102 CB PHE A 8 -4.807 -0.539 -11.254 1.00 1.15 C ATOM 103 CG PHE A 8 -5.220 -0.731 -9.794 1.00 2.42 C ATOM 104 CD1 PHE A 8 -5.394 -2.032 -9.230 1.00 42.54 C ATOM 105 CD2 PHE A 8 -5.459 0.400 -8.971 1.00 50.01 C ATOM 106 CE1 PHE A 8 -5.754 -2.177 -7.877 1.00 13.42 C ATOM 107 CE2 PHE A 8 -5.837 0.240 -7.622 1.00 3.43 C ATOM 108 CZ PHE A 8 -5.972 -1.042 -7.076 1.00 31.44 C ATOM 0 H PHE A 8 -2.921 -2.629 -10.198 1.00 64.50 H new ATOM 0 HA PHE A 8 -3.201 -0.964 -12.589 1.00 72.43 H new ATOM 0 HB2 PHE A 8 -4.850 0.520 -11.510 1.00 1.15 H new ATOM 0 HB3 PHE A 8 -5.514 -1.054 -11.905 1.00 1.15 H new ATOM 0 HD1 PHE A 8 -5.249 -2.908 -9.845 1.00 42.54 H new ATOM 0 HD2 PHE A 8 -5.350 1.393 -9.382 1.00 50.01 H new ATOM 0 HE1 PHE A 8 -5.863 -3.164 -7.452 1.00 13.42 H new ATOM 0 HE2 PHE A 8 -6.023 1.109 -7.008 1.00 3.43 H new ATOM 0 HZ PHE A 8 -6.244 -1.160 -6.037 1.00 31.44 H new ATOM 118 N GLU A 9 -1.921 0.821 -11.150 1.00 42.43 N ATOM 119 CA GLU A 9 -1.013 1.596 -10.414 1.00 32.01 C ATOM 120 C GLU A 9 -1.818 2.732 -9.896 1.00 1.24 C ATOM 121 O GLU A 9 -2.765 3.173 -10.540 1.00 55.43 O ATOM 122 CB GLU A 9 0.122 2.173 -11.295 1.00 60.20 C ATOM 123 CG GLU A 9 1.220 2.858 -10.495 1.00 32.15 C ATOM 124 CD GLU A 9 2.232 3.426 -11.445 1.00 41.42 C ATOM 125 OE1 GLU A 9 1.847 4.260 -12.303 1.00 14.41 O ATOM 126 OE2 GLU A 9 3.422 3.055 -11.342 1.00 40.34 O ATOM 0 H GLU A 9 -2.191 1.221 -12.048 1.00 42.43 H new ATOM 0 HA GLU A 9 -0.540 0.990 -9.641 1.00 32.01 H new ATOM 0 HB2 GLU A 9 0.560 1.367 -11.883 1.00 60.20 H new ATOM 0 HB3 GLU A 9 -0.303 2.887 -12.000 1.00 60.20 H new ATOM 0 HG2 GLU A 9 0.798 3.650 -9.877 1.00 32.15 H new ATOM 0 HG3 GLU A 9 1.695 2.146 -9.820 1.00 32.15 H new ATOM 133 N VAL A 10 -1.458 3.219 -8.735 1.00 13.05 N ATOM 134 CA VAL A 10 -2.063 4.385 -8.198 1.00 22.53 C ATOM 135 C VAL A 10 -0.924 5.258 -7.891 1.00 61.43 C ATOM 136 O VAL A 10 0.050 4.823 -7.289 1.00 35.04 O ATOM 137 CB VAL A 10 -2.867 4.138 -6.920 1.00 24.20 C ATOM 138 CG1 VAL A 10 -3.485 5.471 -6.436 1.00 24.42 C ATOM 139 CG2 VAL A 10 -3.938 3.075 -7.228 1.00 64.31 C ATOM 0 H VAL A 10 -0.735 2.809 -8.144 1.00 13.05 H new ATOM 0 HA VAL A 10 -2.782 4.797 -8.906 1.00 22.53 H new ATOM 0 HB VAL A 10 -2.233 3.767 -6.115 1.00 24.20 H new ATOM 0 HG11 VAL A 10 -4.058 5.297 -5.525 1.00 24.42 H new ATOM 0 HG12 VAL A 10 -2.690 6.188 -6.233 1.00 24.42 H new ATOM 0 HG13 VAL A 10 -4.143 5.869 -7.209 1.00 24.42 H new ATOM 0 HG21 VAL A 10 -4.526 2.880 -6.331 1.00 64.31 H new ATOM 0 HG22 VAL A 10 -4.593 3.438 -8.020 1.00 64.31 H new ATOM 0 HG23 VAL A 10 -3.454 2.154 -7.551 1.00 64.31 H new ATOM 149 N GLU A 11 -0.994 6.514 -8.319 1.00 75.11 N ATOM 150 CA GLU A 11 0.012 7.441 -7.950 1.00 12.43 C ATOM 151 C GLU A 11 -0.621 8.270 -6.902 1.00 71.10 C ATOM 152 O GLU A 11 -1.627 8.931 -7.133 1.00 5.20 O ATOM 153 CB GLU A 11 0.565 8.293 -9.106 1.00 1.54 C ATOM 154 CG GLU A 11 -0.487 9.010 -9.969 1.00 2.43 C ATOM 155 CD GLU A 11 0.226 9.644 -11.142 1.00 13.43 C ATOM 156 OE1 GLU A 11 1.464 9.477 -11.253 1.00 15.23 O ATOM 157 OE2 GLU A 11 -0.443 10.296 -11.967 1.00 71.52 O ATOM 0 H GLU A 11 -1.735 6.888 -8.912 1.00 75.11 H new ATOM 0 HA GLU A 11 0.902 6.915 -7.604 1.00 12.43 H new ATOM 0 HB2 GLU A 11 1.239 9.042 -8.691 1.00 1.54 H new ATOM 0 HB3 GLU A 11 1.162 7.651 -9.753 1.00 1.54 H new ATOM 0 HG2 GLU A 11 -1.240 8.303 -10.317 1.00 2.43 H new ATOM 0 HG3 GLU A 11 -1.008 9.768 -9.384 1.00 2.43 H new ATOM 164 N LEU A 12 -0.122 8.117 -5.694 1.00 74.54 N ATOM 165 CA LEU A 12 -0.805 8.569 -4.541 1.00 62.34 C ATOM 166 C LEU A 12 -0.135 9.811 -4.104 1.00 72.22 C ATOM 167 O LEU A 12 1.075 9.818 -3.893 1.00 2.33 O ATOM 168 CB LEU A 12 -0.677 7.523 -3.404 1.00 33.42 C ATOM 169 CG LEU A 12 -1.867 7.455 -2.447 1.00 72.41 C ATOM 170 CD1 LEU A 12 -2.016 8.690 -1.580 1.00 45.10 C ATOM 171 CD2 LEU A 12 -3.162 7.091 -3.168 1.00 40.34 C ATOM 0 H LEU A 12 0.775 7.671 -5.503 1.00 74.54 H new ATOM 0 HA LEU A 12 -1.860 8.728 -4.763 1.00 62.34 H new ATOM 0 HB2 LEU A 12 -0.534 6.539 -3.851 1.00 33.42 H new ATOM 0 HB3 LEU A 12 0.221 7.745 -2.827 1.00 33.42 H new ATOM 0 HG LEU A 12 -1.646 6.641 -1.756 1.00 72.41 H new ATOM 0 HD11 LEU A 12 -2.880 8.573 -0.926 1.00 45.10 H new ATOM 0 HD12 LEU A 12 -1.118 8.821 -0.976 1.00 45.10 H new ATOM 0 HD13 LEU A 12 -2.157 9.565 -2.214 1.00 45.10 H new ATOM 0 HD21 LEU A 12 -3.981 7.054 -2.449 1.00 40.34 H new ATOM 0 HD22 LEU A 12 -3.379 7.842 -3.927 1.00 40.34 H new ATOM 0 HD23 LEU A 12 -3.052 6.116 -3.643 1.00 40.34 H new ATOM 183 N ALA A 13 -0.907 10.899 -3.961 1.00 43.43 N ATOM 184 CA ALA A 13 -0.361 12.137 -3.487 1.00 30.42 C ATOM 185 C ALA A 13 -0.572 12.132 -2.011 1.00 54.24 C ATOM 186 O ALA A 13 -1.696 11.960 -1.530 1.00 52.14 O ATOM 187 CB ALA A 13 -1.056 13.385 -4.062 1.00 35.31 C ATOM 0 H ALA A 13 -1.905 10.926 -4.171 1.00 43.43 H new ATOM 0 HA ALA A 13 0.683 12.197 -3.794 1.00 30.42 H new ATOM 0 HB1 ALA A 13 -0.587 14.282 -3.657 1.00 35.31 H new ATOM 0 HB2 ALA A 13 -0.962 13.386 -5.148 1.00 35.31 H new ATOM 0 HB3 ALA A 13 -2.111 13.372 -3.789 1.00 35.31 H new ATOM 193 N LYS A 14 0.517 12.311 -1.256 1.00 53.33 N ATOM 194 CA LYS A 14 0.483 12.249 0.196 1.00 5.35 C ATOM 195 C LYS A 14 0.252 13.649 0.708 1.00 0.03 C ATOM 196 O LYS A 14 0.749 14.015 1.769 1.00 2.23 O ATOM 197 CB LYS A 14 1.772 11.649 0.815 1.00 64.54 C ATOM 198 CG LYS A 14 2.164 10.299 0.143 1.00 44.32 C ATOM 199 CD LYS A 14 2.853 9.286 1.079 1.00 42.20 C ATOM 200 CE LYS A 14 4.162 9.770 1.726 1.00 10.30 C ATOM 201 NZ LYS A 14 5.316 9.746 0.805 1.00 2.52 N ATOM 0 H LYS A 14 1.442 12.502 -1.640 1.00 53.33 H new ATOM 0 HA LYS A 14 -0.323 11.578 0.495 1.00 5.35 H new ATOM 0 HB2 LYS A 14 2.591 12.360 0.707 1.00 64.54 H new ATOM 0 HB3 LYS A 14 1.623 11.493 1.884 1.00 64.54 H new ATOM 0 HG2 LYS A 14 1.265 9.839 -0.268 1.00 44.32 H new ATOM 0 HG3 LYS A 14 2.828 10.507 -0.696 1.00 44.32 H new ATOM 0 HD2 LYS A 14 2.155 9.015 1.871 1.00 42.20 H new ATOM 0 HD3 LYS A 14 3.061 8.378 0.513 1.00 42.20 H new ATOM 0 HE2 LYS A 14 4.022 10.786 2.095 1.00 10.30 H new ATOM 0 HE3 LYS A 14 4.384 9.145 2.591 1.00 10.30 H new ATOM 0 HZ1 LYS A 14 6.149 10.147 1.282 1.00 2.52 H new ATOM 0 HZ2 LYS A 14 5.516 8.765 0.525 1.00 2.52 H new ATOM 0 HZ3 LYS A 14 5.097 10.310 -0.041 1.00 2.52 H new ATOM 215 N ASN A 15 -0.521 14.440 -0.125 1.00 13.44 N ATOM 216 CA ASN A 15 -0.753 15.931 -0.049 1.00 74.24 C ATOM 217 C ASN A 15 0.288 16.597 0.787 1.00 54.41 C ATOM 218 O ASN A 15 -0.046 17.338 1.702 1.00 53.33 O ATOM 219 CB ASN A 15 -2.137 16.333 0.520 1.00 53.51 C ATOM 220 CG ASN A 15 -3.211 15.808 -0.406 1.00 1.20 C ATOM 221 OD1 ASN A 15 -3.245 16.148 -1.602 1.00 72.51 O ATOM 222 ND2 ASN A 15 -4.116 14.974 0.124 1.00 43.31 N ATOM 0 H ASN A 15 -1.025 14.027 -0.910 1.00 13.44 H new ATOM 0 HA ASN A 15 -0.703 16.263 -1.086 1.00 74.24 H new ATOM 0 HB2 ASN A 15 -2.268 15.923 1.522 1.00 53.51 H new ATOM 0 HB3 ASN A 15 -2.210 17.417 0.607 1.00 53.51 H new ATOM 0 HD21 ASN A 15 -4.864 14.596 -0.458 1.00 43.31 H new ATOM 0 HD22 ASN A 15 -4.057 14.717 1.109 1.00 43.31 H new ATOM 229 N ASP A 16 1.584 16.302 0.465 1.00 25.01 N ATOM 230 CA ASP A 16 2.795 16.551 1.297 1.00 51.51 C ATOM 231 C ASP A 16 2.461 16.950 2.739 1.00 1.13 C ATOM 232 O ASP A 16 2.846 18.036 3.210 1.00 23.54 O ATOM 233 CB ASP A 16 3.805 17.551 0.674 1.00 5.31 C ATOM 234 CG ASP A 16 5.157 17.425 1.369 1.00 11.31 C ATOM 235 OD1 ASP A 16 5.340 16.515 2.214 1.00 24.45 O ATOM 236 OD2 ASP A 16 6.053 18.230 1.049 1.00 64.22 O ATOM 0 H ASP A 16 1.819 15.863 -0.425 1.00 25.01 H new ATOM 0 HA ASP A 16 3.294 15.582 1.322 1.00 51.51 H new ATOM 0 HB2 ASP A 16 3.915 17.353 -0.392 1.00 5.31 H new ATOM 0 HB3 ASP A 16 3.429 18.569 0.772 1.00 5.31 H new ATOM 241 N ASN A 17 1.732 16.068 3.452 1.00 32.23 N ATOM 242 CA ASN A 17 1.357 16.311 4.826 1.00 4.21 C ATOM 243 C ASN A 17 1.373 14.965 5.477 1.00 14.02 C ATOM 244 O ASN A 17 2.428 14.325 5.566 1.00 30.33 O ATOM 245 CB ASN A 17 -0.069 16.937 5.030 1.00 24.12 C ATOM 246 CG ASN A 17 0.035 18.455 5.005 1.00 63.24 C ATOM 247 OD1 ASN A 17 0.203 19.084 6.057 1.00 53.11 O ATOM 248 ND2 ASN A 17 -0.073 19.064 3.823 1.00 73.31 N ATOM 0 H ASN A 17 1.398 15.179 3.079 1.00 32.23 H new ATOM 0 HA ASN A 17 2.051 17.040 5.246 1.00 4.21 H new ATOM 0 HB2 ASN A 17 -0.744 16.595 4.245 1.00 24.12 H new ATOM 0 HB3 ASN A 17 -0.491 16.606 5.979 1.00 24.12 H new ATOM 0 HD21 ASN A 17 -0.018 20.081 3.766 1.00 73.31 H new ATOM 0 HD22 ASN A 17 -0.211 18.513 2.976 1.00 73.31 H new ATOM 255 N SER A 18 0.192 14.498 5.954 1.00 34.11 N ATOM 256 CA SER A 18 0.106 13.246 6.654 1.00 10.40 C ATOM 257 C SER A 18 0.075 12.170 5.622 1.00 41.12 C ATOM 258 O SER A 18 -0.687 12.246 4.654 1.00 31.35 O ATOM 259 CB SER A 18 -1.182 13.103 7.507 1.00 42.31 C ATOM 260 OG SER A 18 -1.300 14.187 8.439 1.00 34.24 O ATOM 0 H SER A 18 -0.697 14.988 5.854 1.00 34.11 H new ATOM 0 HA SER A 18 0.958 13.184 7.331 1.00 10.40 H new ATOM 0 HB2 SER A 18 -2.055 13.082 6.855 1.00 42.31 H new ATOM 0 HB3 SER A 18 -1.164 12.155 8.045 1.00 42.31 H new ATOM 0 HG SER A 18 -2.120 14.078 8.965 1.00 34.24 H new ATOM 266 N LEU A 19 0.920 11.137 5.797 1.00 10.11 N ATOM 267 CA LEU A 19 0.921 10.021 4.887 1.00 24.52 C ATOM 268 C LEU A 19 -0.339 9.265 5.218 1.00 54.14 C ATOM 269 O LEU A 19 -1.270 9.162 4.436 1.00 74.43 O ATOM 270 CB LEU A 19 2.152 9.069 5.118 1.00 52.00 C ATOM 271 CG LEU A 19 3.397 9.762 5.773 1.00 35.31 C ATOM 272 CD1 LEU A 19 4.503 8.754 6.121 1.00 33.21 C ATOM 273 CD2 LEU A 19 3.946 10.985 4.996 1.00 74.12 C ATOM 0 H LEU A 19 1.597 11.069 6.557 1.00 10.11 H new ATOM 0 HA LEU A 19 0.978 10.364 3.854 1.00 24.52 H new ATOM 0 HB2 LEU A 19 1.839 8.239 5.751 1.00 52.00 H new ATOM 0 HB3 LEU A 19 2.451 8.644 4.160 1.00 52.00 H new ATOM 0 HG LEU A 19 3.019 10.178 6.707 1.00 35.31 H new ATOM 0 HD11 LEU A 19 5.345 9.279 6.572 1.00 33.21 H new ATOM 0 HD12 LEU A 19 4.116 8.017 6.825 1.00 33.21 H new ATOM 0 HD13 LEU A 19 4.834 8.249 5.213 1.00 33.21 H new ATOM 0 HD21 LEU A 19 4.805 11.397 5.525 1.00 74.12 H new ATOM 0 HD22 LEU A 19 4.250 10.674 3.997 1.00 74.12 H new ATOM 0 HD23 LEU A 19 3.169 11.746 4.919 1.00 74.12 H new ATOM 285 N GLY A 20 -0.394 8.855 6.489 1.00 62.13 N ATOM 286 CA GLY A 20 -1.588 8.351 7.109 1.00 41.14 C ATOM 287 C GLY A 20 -2.010 7.071 6.469 1.00 13.32 C ATOM 288 O GLY A 20 -3.205 6.829 6.273 1.00 4.41 O ATOM 0 H GLY A 20 0.413 8.871 7.113 1.00 62.13 H new ATOM 0 HA2 GLY A 20 -1.413 8.192 8.173 1.00 41.14 H new ATOM 0 HA3 GLY A 20 -2.387 9.087 7.024 1.00 41.14 H new ATOM 292 N ILE A 21 -1.045 6.218 6.143 1.00 45.32 N ATOM 293 CA ILE A 21 -1.332 4.920 5.621 1.00 45.02 C ATOM 294 C ILE A 21 -0.520 4.031 6.514 1.00 64.33 C ATOM 295 O ILE A 21 0.387 4.512 7.199 1.00 34.55 O ATOM 296 CB ILE A 21 -0.875 4.748 4.146 1.00 21.10 C ATOM 297 CG1 ILE A 21 -1.367 5.946 3.289 1.00 13.31 C ATOM 298 CG2 ILE A 21 -1.369 3.380 3.585 1.00 23.41 C ATOM 299 CD1 ILE A 21 -0.957 5.864 1.811 1.00 1.40 C ATOM 0 H ILE A 21 -0.050 6.422 6.239 1.00 45.32 H new ATOM 0 HA ILE A 21 -2.401 4.708 5.609 1.00 45.02 H new ATOM 0 HB ILE A 21 0.214 4.743 4.102 1.00 21.10 H new ATOM 0 HG12 ILE A 21 -2.454 6.003 3.352 1.00 13.31 H new ATOM 0 HG13 ILE A 21 -0.974 6.870 3.714 1.00 13.31 H new ATOM 0 HG21 ILE A 21 -1.042 3.272 2.551 1.00 23.41 H new ATOM 0 HG22 ILE A 21 -0.953 2.570 4.184 1.00 23.41 H new ATOM 0 HG23 ILE A 21 -2.457 3.341 3.628 1.00 23.41 H new ATOM 0 HD11 ILE A 21 -1.338 6.736 1.279 1.00 1.40 H new ATOM 0 HD12 ILE A 21 0.130 5.839 1.736 1.00 1.40 H new ATOM 0 HD13 ILE A 21 -1.372 4.959 1.368 1.00 1.40 H new ATOM 311 N CYS A 22 -0.803 2.740 6.538 1.00 71.43 N ATOM 312 CA CYS A 22 0.021 1.843 7.274 1.00 54.32 C ATOM 313 C CYS A 22 -0.166 0.569 6.562 1.00 45.33 C ATOM 314 O CYS A 22 -1.068 0.455 5.738 1.00 24.33 O ATOM 315 CB CYS A 22 -0.499 1.654 8.735 1.00 11.21 C ATOM 316 SG CYS A 22 0.618 0.709 9.818 1.00 74.31 S ATOM 0 H CYS A 22 -1.592 2.308 6.057 1.00 71.43 H new ATOM 0 HA CYS A 22 1.050 2.196 7.339 1.00 54.32 H new ATOM 0 HB2 CYS A 22 -0.668 2.636 9.177 1.00 11.21 H new ATOM 0 HB3 CYS A 22 -1.465 1.149 8.701 1.00 11.21 H new ATOM 321 N VAL A 23 0.768 -0.361 6.722 1.00 24.45 N ATOM 322 CA VAL A 23 0.813 -1.488 5.870 1.00 24.31 C ATOM 323 C VAL A 23 1.265 -2.626 6.720 1.00 71.44 C ATOM 324 O VAL A 23 1.707 -2.436 7.856 1.00 54.10 O ATOM 325 CB VAL A 23 1.811 -1.313 4.711 1.00 73.42 C ATOM 326 CG1 VAL A 23 1.121 -0.502 3.589 1.00 52.45 C ATOM 327 CG2 VAL A 23 3.092 -0.628 5.243 1.00 64.35 C ATOM 0 H VAL A 23 1.492 -0.335 7.440 1.00 24.45 H new ATOM 0 HA VAL A 23 -0.168 -1.645 5.422 1.00 24.31 H new ATOM 0 HB VAL A 23 2.111 -2.274 4.293 1.00 73.42 H new ATOM 0 HG11 VAL A 23 1.814 -0.368 2.758 1.00 52.45 H new ATOM 0 HG12 VAL A 23 0.238 -1.039 3.242 1.00 52.45 H new ATOM 0 HG13 VAL A 23 0.824 0.473 3.975 1.00 52.45 H new ATOM 0 HG21 VAL A 23 3.803 -0.501 4.426 1.00 64.35 H new ATOM 0 HG22 VAL A 23 2.838 0.348 5.657 1.00 64.35 H new ATOM 0 HG23 VAL A 23 3.539 -1.247 6.021 1.00 64.35 H new ATOM 337 N THR A 24 1.132 -3.822 6.181 1.00 1.13 N ATOM 338 CA THR A 24 1.524 -5.014 6.837 1.00 72.24 C ATOM 339 C THR A 24 1.815 -5.956 5.707 1.00 23.21 C ATOM 340 O THR A 24 1.518 -5.636 4.571 1.00 14.34 O ATOM 341 CB THR A 24 0.470 -5.597 7.791 1.00 54.24 C ATOM 342 OG1 THR A 24 0.984 -6.739 8.490 1.00 32.44 O ATOM 343 CG2 THR A 24 -0.818 -5.965 7.002 1.00 25.43 C ATOM 0 H THR A 24 0.737 -3.975 5.253 1.00 1.13 H new ATOM 0 HA THR A 24 2.373 -4.831 7.495 1.00 72.24 H new ATOM 0 HB THR A 24 0.220 -4.840 8.534 1.00 54.24 H new ATOM 0 HG1 THR A 24 0.296 -7.091 9.092 1.00 32.44 H new ATOM 0 HG21 THR A 24 -1.559 -6.377 7.687 1.00 25.43 H new ATOM 0 HG22 THR A 24 -1.221 -5.071 6.526 1.00 25.43 H new ATOM 0 HG23 THR A 24 -0.578 -6.705 6.239 1.00 25.43 H new ATOM 351 N GLY A 25 2.448 -7.090 5.998 1.00 72.21 N ATOM 352 CA GLY A 25 2.843 -8.024 4.966 1.00 15.02 C ATOM 353 C GLY A 25 4.297 -8.180 5.094 1.00 75.31 C ATOM 354 O GLY A 25 4.889 -7.666 6.033 1.00 31.32 O ATOM 0 H GLY A 25 2.695 -7.378 6.945 1.00 72.21 H new ATOM 0 HA2 GLY A 25 2.336 -8.981 5.091 1.00 15.02 H new ATOM 0 HA3 GLY A 25 2.577 -7.649 3.978 1.00 15.02 H new ATOM 358 N GLY A 26 4.925 -8.882 4.139 1.00 2.34 N ATOM 359 CA GLY A 26 6.355 -8.948 4.121 1.00 43.24 C ATOM 360 C GLY A 26 6.774 -10.379 4.119 1.00 64.43 C ATOM 361 O GLY A 26 6.398 -11.152 3.239 1.00 32.31 O ATOM 0 H GLY A 26 4.458 -9.396 3.392 1.00 2.34 H new ATOM 0 HA2 GLY A 26 6.744 -8.440 3.239 1.00 43.24 H new ATOM 0 HA3 GLY A 26 6.767 -8.436 4.991 1.00 43.24 H new ATOM 365 N VAL A 27 7.616 -10.737 5.115 1.00 54.14 N ATOM 366 CA VAL A 27 8.388 -11.982 5.194 1.00 15.43 C ATOM 367 C VAL A 27 7.537 -13.243 5.398 1.00 10.15 C ATOM 368 O VAL A 27 8.074 -14.253 5.843 1.00 62.43 O ATOM 369 CB VAL A 27 9.441 -11.916 6.292 1.00 51.23 C ATOM 370 CG1 VAL A 27 10.431 -10.792 5.926 1.00 31.41 C ATOM 371 CG2 VAL A 27 8.746 -11.684 7.662 1.00 31.30 C ATOM 0 H VAL A 27 7.778 -10.132 5.920 1.00 54.14 H new ATOM 0 HA VAL A 27 8.863 -12.068 4.217 1.00 15.43 H new ATOM 0 HB VAL A 27 9.997 -12.850 6.378 1.00 51.23 H new ATOM 0 HG11 VAL A 27 11.200 -10.719 6.695 1.00 31.41 H new ATOM 0 HG12 VAL A 27 10.898 -11.016 4.967 1.00 31.41 H new ATOM 0 HG13 VAL A 27 9.896 -9.845 5.857 1.00 31.41 H new ATOM 0 HG21 VAL A 27 9.499 -11.637 8.449 1.00 31.30 H new ATOM 0 HG22 VAL A 27 8.191 -10.746 7.634 1.00 31.30 H new ATOM 0 HG23 VAL A 27 8.060 -12.506 7.866 1.00 31.30 H new ATOM 381 N ASN A 28 6.219 -13.196 5.114 1.00 21.01 N ATOM 382 CA ASN A 28 5.284 -14.307 5.433 1.00 45.32 C ATOM 383 C ASN A 28 4.808 -14.100 6.833 1.00 42.13 C ATOM 384 O ASN A 28 5.101 -14.852 7.755 1.00 71.31 O ATOM 385 CB ASN A 28 5.796 -15.778 5.236 1.00 31.34 C ATOM 386 CG ASN A 28 4.623 -16.756 5.385 1.00 21.11 C ATOM 387 OD1 ASN A 28 4.554 -17.516 6.349 1.00 64.14 O ATOM 388 ND2 ASN A 28 3.693 -16.753 4.419 1.00 43.33 N ATOM 0 H ASN A 28 5.772 -12.398 4.662 1.00 21.01 H new ATOM 0 HA ASN A 28 4.491 -14.243 4.688 1.00 45.32 H new ATOM 0 HB2 ASN A 28 6.250 -15.887 4.251 1.00 31.34 H new ATOM 0 HB3 ASN A 28 6.568 -16.006 5.970 1.00 31.34 H new ATOM 0 HD21 ASN A 28 2.901 -17.393 4.472 1.00 43.33 H new ATOM 0 HD22 ASN A 28 3.778 -16.110 3.631 1.00 43.33 H new ATOM 395 N THR A 29 4.075 -13.014 6.972 1.00 64.34 N ATOM 396 CA THR A 29 3.433 -12.645 8.195 1.00 51.44 C ATOM 397 C THR A 29 2.059 -13.322 8.144 1.00 41.04 C ATOM 398 O THR A 29 1.870 -14.272 7.379 1.00 71.11 O ATOM 399 CB THR A 29 3.361 -11.129 8.438 1.00 21.32 C ATOM 400 OG1 THR A 29 2.965 -10.827 9.780 1.00 51.31 O ATOM 401 CG2 THR A 29 2.422 -10.460 7.422 1.00 45.24 C ATOM 0 H THR A 29 3.912 -12.354 6.212 1.00 64.34 H new ATOM 0 HA THR A 29 4.014 -12.982 9.054 1.00 51.44 H new ATOM 0 HB THR A 29 4.363 -10.724 8.297 1.00 21.32 H new ATOM 0 HG1 THR A 29 2.931 -9.855 9.900 1.00 51.31 H new ATOM 0 HG21 THR A 29 2.385 -9.387 7.612 1.00 45.24 H new ATOM 0 HG22 THR A 29 2.793 -10.637 6.412 1.00 45.24 H new ATOM 0 HG23 THR A 29 1.421 -10.880 7.520 1.00 45.24 H new ATOM 409 N SER A 30 1.122 -12.905 9.019 1.00 34.34 N ATOM 410 CA SER A 30 -0.223 -13.477 9.119 1.00 61.10 C ATOM 411 C SER A 30 -0.915 -13.574 7.753 1.00 31.05 C ATOM 412 O SER A 30 -1.764 -14.445 7.557 1.00 20.13 O ATOM 413 CB SER A 30 -1.115 -12.639 10.037 1.00 53.05 C ATOM 414 OG SER A 30 -0.419 -12.359 11.254 1.00 3.43 O ATOM 0 H SER A 30 1.288 -12.149 9.684 1.00 34.34 H new ATOM 0 HA SER A 30 -0.090 -14.478 9.529 1.00 61.10 H new ATOM 0 HB2 SER A 30 -1.392 -11.708 9.542 1.00 53.05 H new ATOM 0 HB3 SER A 30 -2.040 -13.174 10.250 1.00 53.05 H new ATOM 0 HG SER A 30 -0.990 -11.821 11.841 1.00 3.43 H new ATOM 420 N VAL A 31 -0.553 -12.702 6.771 1.00 71.31 N ATOM 421 CA VAL A 31 -1.089 -12.860 5.445 1.00 4.41 C ATOM 422 C VAL A 31 -0.157 -13.835 4.748 1.00 51.34 C ATOM 423 O VAL A 31 1.055 -13.618 4.658 1.00 11.33 O ATOM 424 CB VAL A 31 -1.237 -11.566 4.649 1.00 14.10 C ATOM 425 CG1 VAL A 31 -2.433 -10.792 5.245 1.00 55.24 C ATOM 426 CG2 VAL A 31 0.080 -10.752 4.692 1.00 50.53 C ATOM 0 H VAL A 31 0.087 -11.917 6.893 1.00 71.31 H new ATOM 0 HA VAL A 31 -2.114 -13.224 5.513 1.00 4.41 H new ATOM 0 HB VAL A 31 -1.432 -11.768 3.596 1.00 14.10 H new ATOM 0 HG11 VAL A 31 -2.570 -9.858 4.700 1.00 55.24 H new ATOM 0 HG12 VAL A 31 -3.336 -11.397 5.161 1.00 55.24 H new ATOM 0 HG13 VAL A 31 -2.238 -10.574 6.295 1.00 55.24 H new ATOM 0 HG21 VAL A 31 -0.042 -9.832 4.120 1.00 50.53 H new ATOM 0 HG22 VAL A 31 0.322 -10.507 5.726 1.00 50.53 H new ATOM 0 HG23 VAL A 31 0.888 -11.343 4.261 1.00 50.53 H new ATOM 436 N ARG A 32 -0.713 -14.977 4.337 1.00 2.51 N ATOM 437 CA ARG A 32 0.085 -16.121 3.940 1.00 73.44 C ATOM 438 C ARG A 32 0.695 -15.909 2.582 1.00 12.43 C ATOM 439 O ARG A 32 1.620 -16.616 2.211 1.00 41.54 O ATOM 440 CB ARG A 32 -0.716 -17.431 3.936 1.00 14.51 C ATOM 441 CG ARG A 32 -1.195 -17.809 5.343 1.00 63.21 C ATOM 442 CD ARG A 32 -1.894 -19.172 5.405 1.00 74.33 C ATOM 443 NE ARG A 32 -2.090 -19.532 6.851 1.00 35.21 N ATOM 444 CZ ARG A 32 -2.561 -20.784 7.218 1.00 53.14 C ATOM 445 NH1 ARG A 32 -2.895 -21.707 6.256 1.00 61.31 N ATOM 446 NH2 ARG A 32 -2.691 -21.094 8.542 1.00 51.22 N ATOM 0 H ARG A 32 -1.720 -15.126 4.273 1.00 2.51 H new ATOM 0 HA ARG A 32 0.873 -16.212 4.688 1.00 73.44 H new ATOM 0 HB2 ARG A 32 -1.576 -17.329 3.274 1.00 14.51 H new ATOM 0 HB3 ARG A 32 -0.098 -18.234 3.534 1.00 14.51 H new ATOM 0 HG2 ARG A 32 -0.340 -17.817 6.019 1.00 63.21 H new ATOM 0 HG3 ARG A 32 -1.880 -17.042 5.704 1.00 63.21 H new ATOM 0 HD2 ARG A 32 -2.854 -19.131 4.890 1.00 74.33 H new ATOM 0 HD3 ARG A 32 -1.294 -19.930 4.902 1.00 74.33 H new ATOM 0 HE ARG A 32 -1.873 -18.845 7.573 1.00 35.21 H new ATOM 0 HH11 ARG A 32 -2.797 -21.472 5.268 1.00 61.31 H new ATOM 0 HH12 ARG A 32 -3.241 -22.627 6.530 1.00 61.31 H new ATOM 0 HH21 ARG A 32 -2.442 -20.407 9.254 1.00 51.22 H new ATOM 0 HH22 ARG A 32 -3.037 -22.013 8.819 1.00 51.22 H new ATOM 460 N HIS A 33 0.221 -14.912 1.823 1.00 14.11 N ATOM 461 CA HIS A 33 0.845 -14.601 0.536 1.00 21.32 C ATOM 462 C HIS A 33 2.001 -13.660 0.783 1.00 75.34 C ATOM 463 O HIS A 33 2.761 -13.331 -0.136 1.00 25.23 O ATOM 464 CB HIS A 33 -0.114 -13.904 -0.437 1.00 4.31 C ATOM 465 CG HIS A 33 -1.148 -14.829 -0.994 1.00 31.32 C ATOM 466 ND1 HIS A 33 -0.812 -15.925 -1.733 1.00 70.03 N ATOM 467 CD2 HIS A 33 -2.493 -14.797 -0.908 1.00 52.34 C ATOM 468 CE1 HIS A 33 -1.927 -16.546 -2.089 1.00 34.43 C ATOM 469 NE2 HIS A 33 -2.958 -15.878 -1.598 1.00 23.21 N ATOM 0 H HIS A 33 -0.573 -14.322 2.072 1.00 14.11 H new ATOM 0 HA HIS A 33 1.158 -15.545 0.090 1.00 21.32 H new ATOM 0 HB2 HIS A 33 -0.609 -13.080 0.076 1.00 4.31 H new ATOM 0 HB3 HIS A 33 0.459 -13.471 -1.257 1.00 4.31 H new ATOM 0 HD2 HIS A 33 -3.088 -14.058 -0.392 1.00 52.34 H new ATOM 0 HE1 HIS A 33 -1.985 -17.447 -2.681 1.00 34.43 H new ATOM 0 HE2 HIS A 33 -3.939 -16.130 -1.716 1.00 23.21 H new ATOM 478 N GLY A 34 2.154 -13.204 2.045 1.00 0.51 N ATOM 479 CA GLY A 34 3.224 -12.273 2.433 1.00 32.11 C ATOM 480 C GLY A 34 3.092 -10.960 1.692 1.00 3.33 C ATOM 481 O GLY A 34 4.006 -10.132 1.724 1.00 12.43 O ATOM 0 H GLY A 34 1.541 -13.471 2.815 1.00 0.51 H new ATOM 0 HA2 GLY A 34 3.184 -12.094 3.508 1.00 32.11 H new ATOM 0 HA3 GLY A 34 4.195 -12.720 2.220 1.00 32.11 H new ATOM 485 N GLY A 35 1.959 -10.748 0.998 1.00 45.10 N ATOM 486 CA GLY A 35 1.770 -9.556 0.211 1.00 13.50 C ATOM 487 C GLY A 35 1.581 -8.423 1.138 1.00 3.33 C ATOM 488 O GLY A 35 1.225 -8.613 2.301 1.00 61.34 O ATOM 0 H GLY A 35 1.172 -11.397 0.978 1.00 45.10 H new ATOM 0 HA2 GLY A 35 2.633 -9.383 -0.432 1.00 13.50 H new ATOM 0 HA3 GLY A 35 0.903 -9.663 -0.441 1.00 13.50 H new ATOM 492 N ILE A 36 1.835 -7.204 0.648 1.00 70.45 N ATOM 493 CA ILE A 36 1.714 -6.049 1.467 1.00 72.44 C ATOM 494 C ILE A 36 0.259 -5.653 1.398 1.00 43.25 C ATOM 495 O ILE A 36 -0.304 -5.559 0.321 1.00 52.44 O ATOM 496 CB ILE A 36 2.591 -4.884 0.990 1.00 35.14 C ATOM 497 CG1 ILE A 36 4.057 -5.353 0.729 1.00 23.21 C ATOM 498 CG2 ILE A 36 2.503 -3.728 2.008 1.00 50.03 C ATOM 499 CD1 ILE A 36 4.769 -5.937 1.963 1.00 41.11 C ATOM 0 H ILE A 36 2.123 -7.019 -0.313 1.00 70.45 H new ATOM 0 HA ILE A 36 2.047 -6.276 2.480 1.00 72.44 H new ATOM 0 HB ILE A 36 2.222 -4.514 0.033 1.00 35.14 H new ATOM 0 HG12 ILE A 36 4.050 -6.105 -0.060 1.00 23.21 H new ATOM 0 HG13 ILE A 36 4.635 -4.507 0.358 1.00 23.21 H new ATOM 0 HG21 ILE A 36 3.125 -2.899 1.672 1.00 50.03 H new ATOM 0 HG22 ILE A 36 1.469 -3.395 2.092 1.00 50.03 H new ATOM 0 HG23 ILE A 36 2.853 -4.073 2.981 1.00 50.03 H new ATOM 0 HD11 ILE A 36 5.781 -6.237 1.691 1.00 41.11 H new ATOM 0 HD12 ILE A 36 4.813 -5.183 2.749 1.00 41.11 H new ATOM 0 HD13 ILE A 36 4.218 -6.805 2.324 1.00 41.11 H new ATOM 511 N TYR A 37 -0.383 -5.451 2.544 1.00 71.53 N ATOM 512 CA TYR A 37 -1.766 -5.043 2.548 1.00 42.23 C ATOM 513 C TYR A 37 -1.806 -3.812 3.361 1.00 72.44 C ATOM 514 O TYR A 37 -1.061 -3.685 4.331 1.00 51.32 O ATOM 515 CB TYR A 37 -2.741 -6.051 3.225 1.00 64.42 C ATOM 516 CG TYR A 37 -2.894 -7.265 2.346 1.00 62.31 C ATOM 517 CD1 TYR A 37 -1.985 -8.340 2.433 1.00 14.33 C ATOM 518 CD2 TYR A 37 -3.975 -7.361 1.437 1.00 2.13 C ATOM 519 CE1 TYR A 37 -2.150 -9.488 1.631 1.00 75.41 C ATOM 520 CE2 TYR A 37 -4.147 -8.509 0.642 1.00 54.32 C ATOM 521 CZ TYR A 37 -3.233 -9.569 0.736 1.00 2.14 C ATOM 522 OH TYR A 37 -3.397 -10.718 -0.064 1.00 12.51 O ATOM 0 H TYR A 37 0.034 -5.564 3.468 1.00 71.53 H new ATOM 0 HA TYR A 37 -2.089 -4.942 1.512 1.00 42.23 H new ATOM 0 HB2 TYR A 37 -2.359 -6.342 4.203 1.00 64.42 H new ATOM 0 HB3 TYR A 37 -3.711 -5.582 3.388 1.00 64.42 H new ATOM 0 HD1 TYR A 37 -1.154 -8.283 3.121 1.00 14.33 H new ATOM 0 HD2 TYR A 37 -4.676 -6.544 1.353 1.00 2.13 H new ATOM 0 HE1 TYR A 37 -1.446 -10.304 1.703 1.00 75.41 H new ATOM 0 HE2 TYR A 37 -4.982 -8.574 -0.040 1.00 54.32 H new ATOM 0 HH TYR A 37 -4.194 -10.615 -0.625 1.00 12.51 H new ATOM 532 N VAL A 38 -2.681 -2.862 2.988 1.00 61.24 N ATOM 533 CA VAL A 38 -2.897 -1.677 3.784 1.00 74.20 C ATOM 534 C VAL A 38 -3.500 -2.130 5.106 1.00 60.41 C ATOM 535 O VAL A 38 -4.375 -2.985 5.136 1.00 11.24 O ATOM 536 CB VAL A 38 -3.826 -0.677 3.110 1.00 23.42 C ATOM 537 CG1 VAL A 38 -4.038 0.546 4.025 1.00 52.30 C ATOM 538 CG2 VAL A 38 -3.218 -0.305 1.738 1.00 32.04 C ATOM 0 H VAL A 38 -3.242 -2.907 2.138 1.00 61.24 H new ATOM 0 HA VAL A 38 -1.945 -1.164 3.923 1.00 74.20 H new ATOM 0 HB VAL A 38 -4.813 -1.107 2.940 1.00 23.42 H new ATOM 0 HG11 VAL A 38 -4.704 1.256 3.535 1.00 52.30 H new ATOM 0 HG12 VAL A 38 -4.482 0.223 4.967 1.00 52.30 H new ATOM 0 HG13 VAL A 38 -3.078 1.024 4.221 1.00 52.30 H new ATOM 0 HG21 VAL A 38 -3.867 0.412 1.235 1.00 32.04 H new ATOM 0 HG22 VAL A 38 -2.233 0.138 1.885 1.00 32.04 H new ATOM 0 HG23 VAL A 38 -3.125 -1.202 1.126 1.00 32.04 H new ATOM 548 N LYS A 39 -2.978 -1.595 6.219 1.00 44.13 N ATOM 549 CA LYS A 39 -3.334 -2.081 7.530 1.00 0.51 C ATOM 550 C LYS A 39 -4.279 -1.102 8.145 1.00 52.33 C ATOM 551 O LYS A 39 -5.266 -1.485 8.763 1.00 42.34 O ATOM 552 CB LYS A 39 -2.091 -2.180 8.453 1.00 23.44 C ATOM 553 CG LYS A 39 -2.341 -2.599 9.923 1.00 75.40 C ATOM 554 CD LYS A 39 -2.686 -4.081 10.127 1.00 3.31 C ATOM 555 CE LYS A 39 -4.155 -4.458 9.846 1.00 72.14 C ATOM 556 NZ LYS A 39 -5.081 -3.685 10.703 1.00 43.24 N ATOM 0 H LYS A 39 -2.309 -0.825 6.222 1.00 44.13 H new ATOM 0 HA LYS A 39 -3.777 -3.072 7.425 1.00 0.51 H new ATOM 0 HB2 LYS A 39 -1.396 -2.894 8.010 1.00 23.44 H new ATOM 0 HB3 LYS A 39 -1.593 -1.210 8.457 1.00 23.44 H new ATOM 0 HG2 LYS A 39 -1.451 -2.365 10.508 1.00 75.40 H new ATOM 0 HG3 LYS A 39 -3.154 -1.994 10.324 1.00 75.40 H new ATOM 0 HD2 LYS A 39 -2.044 -4.679 9.480 1.00 3.31 H new ATOM 0 HD3 LYS A 39 -2.448 -4.355 11.155 1.00 3.31 H new ATOM 0 HE2 LYS A 39 -4.386 -4.272 8.797 1.00 72.14 H new ATOM 0 HE3 LYS A 39 -4.299 -5.524 10.020 1.00 72.14 H new ATOM 0 HZ1 LYS A 39 -5.949 -4.236 10.861 1.00 43.24 H new ATOM 0 HZ2 LYS A 39 -4.625 -3.487 11.617 1.00 43.24 H new ATOM 0 HZ3 LYS A 39 -5.320 -2.788 10.234 1.00 43.24 H new ATOM 570 N ALA A 40 -3.962 0.186 8.017 1.00 42.31 N ATOM 571 CA ALA A 40 -4.738 1.204 8.673 1.00 43.10 C ATOM 572 C ALA A 40 -4.689 2.378 7.794 1.00 62.44 C ATOM 573 O ALA A 40 -3.750 2.526 7.010 1.00 1.14 O ATOM 574 CB ALA A 40 -4.178 1.637 10.045 1.00 33.10 C ATOM 0 H ALA A 40 -3.177 0.534 7.467 1.00 42.31 H new ATOM 0 HA ALA A 40 -5.737 0.806 8.851 1.00 43.10 H new ATOM 0 HB1 ALA A 40 -4.820 2.407 10.473 1.00 33.10 H new ATOM 0 HB2 ALA A 40 -4.147 0.777 10.713 1.00 33.10 H new ATOM 0 HB3 ALA A 40 -3.171 2.034 9.918 1.00 33.10 H new ATOM 580 N VAL A 41 -5.716 3.234 7.883 1.00 0.33 N ATOM 581 CA VAL A 41 -5.741 4.441 7.120 1.00 62.32 C ATOM 582 C VAL A 41 -6.141 5.516 8.091 1.00 65.55 C ATOM 583 O VAL A 41 -7.123 5.371 8.825 1.00 70.12 O ATOM 584 CB VAL A 41 -6.757 4.411 5.967 1.00 14.45 C ATOM 585 CG1 VAL A 41 -6.661 5.730 5.168 1.00 1.12 C ATOM 586 CG2 VAL A 41 -6.469 3.169 5.094 1.00 2.31 C ATOM 0 H VAL A 41 -6.529 3.093 8.482 1.00 0.33 H new ATOM 0 HA VAL A 41 -4.766 4.601 6.659 1.00 62.32 H new ATOM 0 HB VAL A 41 -7.778 4.333 6.340 1.00 14.45 H new ATOM 0 HG11 VAL A 41 -7.380 5.713 4.349 1.00 1.12 H new ATOM 0 HG12 VAL A 41 -6.881 6.571 5.826 1.00 1.12 H new ATOM 0 HG13 VAL A 41 -5.654 5.838 4.764 1.00 1.12 H new ATOM 0 HG21 VAL A 41 -7.181 3.131 4.270 1.00 2.31 H new ATOM 0 HG22 VAL A 41 -5.456 3.231 4.696 1.00 2.31 H new ATOM 0 HG23 VAL A 41 -6.567 2.268 5.700 1.00 2.31 H new ATOM 596 N ILE A 42 -5.379 6.617 8.122 1.00 50.44 N ATOM 597 CA ILE A 42 -5.728 7.760 8.942 1.00 23.33 C ATOM 598 C ILE A 42 -6.895 8.451 8.234 1.00 3.14 C ATOM 599 O ILE A 42 -6.894 8.581 7.004 1.00 24.41 O ATOM 600 CB ILE A 42 -4.583 8.704 9.127 1.00 13.31 C ATOM 601 CG1 ILE A 42 -3.509 7.984 9.964 1.00 12.32 C ATOM 602 CG2 ILE A 42 -5.052 10.034 9.785 1.00 45.22 C ATOM 603 CD1 ILE A 42 -2.439 8.919 10.390 1.00 5.41 C ATOM 0 H ILE A 42 -4.519 6.730 7.585 1.00 50.44 H new ATOM 0 HA ILE A 42 -5.998 7.433 9.946 1.00 23.33 H new ATOM 0 HB ILE A 42 -4.160 8.983 8.162 1.00 13.31 H new ATOM 0 HG12 ILE A 42 -3.971 7.533 10.842 1.00 12.32 H new ATOM 0 HG13 ILE A 42 -3.074 7.172 9.381 1.00 12.32 H new ATOM 0 HG21 ILE A 42 -4.198 10.700 9.907 1.00 45.22 H new ATOM 0 HG22 ILE A 42 -5.797 10.512 9.149 1.00 45.22 H new ATOM 0 HG23 ILE A 42 -5.490 9.823 10.761 1.00 45.22 H new ATOM 0 HD11 ILE A 42 -1.697 8.379 10.979 1.00 5.41 H new ATOM 0 HD12 ILE A 42 -1.961 9.350 9.510 1.00 5.41 H new ATOM 0 HD13 ILE A 42 -2.872 9.716 10.995 1.00 5.41 H new ATOM 615 N PRO A 43 -7.920 8.877 9.003 1.00 2.54 N ATOM 616 CA PRO A 43 -9.029 9.651 8.468 1.00 52.11 C ATOM 617 C PRO A 43 -8.484 10.946 7.888 1.00 54.15 C ATOM 618 O PRO A 43 -7.756 11.651 8.574 1.00 31.34 O ATOM 619 CB PRO A 43 -9.960 9.891 9.674 1.00 5.31 C ATOM 620 CG PRO A 43 -9.072 9.660 10.913 1.00 1.33 C ATOM 621 CD PRO A 43 -8.061 8.614 10.440 1.00 75.22 C ATOM 0 HA PRO A 43 -9.571 9.153 7.664 1.00 52.11 H new ATOM 0 HB2 PRO A 43 -10.368 10.902 9.663 1.00 5.31 H new ATOM 0 HB3 PRO A 43 -10.807 9.205 9.662 1.00 5.31 H new ATOM 0 HG2 PRO A 43 -8.579 10.579 11.230 1.00 1.33 H new ATOM 0 HG3 PRO A 43 -9.654 9.301 11.762 1.00 1.33 H new ATOM 0 HD2 PRO A 43 -7.108 8.717 10.959 1.00 75.22 H new ATOM 0 HD3 PRO A 43 -8.418 7.601 10.627 1.00 75.22 H new ATOM 629 N GLN A 44 -8.805 11.214 6.603 1.00 30.22 N ATOM 630 CA GLN A 44 -8.296 12.369 5.859 1.00 62.12 C ATOM 631 C GLN A 44 -6.807 12.206 5.611 1.00 15.32 C ATOM 632 O GLN A 44 -6.116 13.184 5.283 1.00 11.21 O ATOM 633 CB GLN A 44 -8.536 13.763 6.507 1.00 23.03 C ATOM 634 CG GLN A 44 -10.015 14.110 6.752 1.00 55.50 C ATOM 635 CD GLN A 44 -10.074 15.550 7.257 1.00 74.20 C ATOM 636 OE1 GLN A 44 -10.522 15.824 8.378 1.00 12.11 O ATOM 637 NE2 GLN A 44 -9.598 16.496 6.432 1.00 32.44 N ATOM 0 H GLN A 44 -9.431 10.624 6.055 1.00 30.22 H new ATOM 0 HA GLN A 44 -8.877 12.369 4.937 1.00 62.12 H new ATOM 0 HB2 GLN A 44 -8.005 13.803 7.458 1.00 23.03 H new ATOM 0 HB3 GLN A 44 -8.099 14.528 5.865 1.00 23.03 H new ATOM 0 HG2 GLN A 44 -10.591 14.003 5.833 1.00 55.50 H new ATOM 0 HG3 GLN A 44 -10.452 13.430 7.483 1.00 55.50 H new ATOM 0 HE21 GLN A 44 -9.236 16.237 5.514 1.00 32.44 H new ATOM 0 HE22 GLN A 44 -9.599 17.474 6.723 1.00 32.44 H new ATOM 646 N GLY A 45 -6.265 10.968 5.729 1.00 4.35 N ATOM 647 CA GLY A 45 -4.890 10.734 5.375 1.00 30.53 C ATOM 648 C GLY A 45 -4.868 10.551 3.897 1.00 60.31 C ATOM 649 O GLY A 45 -5.895 10.665 3.237 1.00 51.21 O ATOM 0 H GLY A 45 -6.769 10.146 6.063 1.00 4.35 H new ATOM 0 HA2 GLY A 45 -4.263 11.574 5.673 1.00 30.53 H new ATOM 0 HA3 GLY A 45 -4.502 9.851 5.883 1.00 30.53 H new ATOM 653 N ALA A 46 -3.684 10.270 3.343 1.00 41.15 N ATOM 654 CA ALA A 46 -3.468 10.316 1.911 1.00 73.33 C ATOM 655 C ALA A 46 -4.381 9.340 1.197 1.00 24.23 C ATOM 656 O ALA A 46 -5.043 9.696 0.234 1.00 54.34 O ATOM 657 CB ALA A 46 -2.021 9.974 1.543 1.00 50.44 C ATOM 0 H ALA A 46 -2.858 10.006 3.880 1.00 41.15 H new ATOM 0 HA ALA A 46 -3.687 11.336 1.597 1.00 73.33 H new ATOM 0 HB1 ALA A 46 -1.900 10.020 0.461 1.00 50.44 H new ATOM 0 HB2 ALA A 46 -1.347 10.690 2.014 1.00 50.44 H new ATOM 0 HB3 ALA A 46 -1.785 8.969 1.892 1.00 50.44 H new ATOM 663 N ALA A 47 -4.423 8.076 1.674 1.00 2.20 N ATOM 664 CA ALA A 47 -5.200 7.025 0.995 1.00 24.45 C ATOM 665 C ALA A 47 -6.668 7.401 1.019 1.00 75.42 C ATOM 666 O ALA A 47 -7.355 7.299 0.017 1.00 2.54 O ATOM 667 CB ALA A 47 -5.056 5.632 1.647 1.00 24.23 C ATOM 0 H ALA A 47 -3.935 7.766 2.514 1.00 2.20 H new ATOM 0 HA ALA A 47 -4.807 6.957 -0.020 1.00 24.45 H new ATOM 0 HB1 ALA A 47 -5.655 4.908 1.095 1.00 24.23 H new ATOM 0 HB2 ALA A 47 -4.010 5.327 1.627 1.00 24.23 H new ATOM 0 HB3 ALA A 47 -5.401 5.676 2.680 1.00 24.23 H new ATOM 673 N GLU A 48 -7.158 7.862 2.196 1.00 31.10 N ATOM 674 CA GLU A 48 -8.566 8.243 2.379 1.00 42.13 C ATOM 675 C GLU A 48 -8.914 9.356 1.407 1.00 24.32 C ATOM 676 O GLU A 48 -9.944 9.306 0.730 1.00 73.24 O ATOM 677 CB GLU A 48 -8.853 8.753 3.829 1.00 54.11 C ATOM 678 CG GLU A 48 -10.331 9.139 4.108 1.00 1.23 C ATOM 679 CD GLU A 48 -11.208 7.901 4.106 1.00 2.33 C ATOM 680 OE1 GLU A 48 -10.677 6.768 4.043 1.00 42.20 O ATOM 681 OE2 GLU A 48 -12.436 8.054 4.186 1.00 52.13 O ATOM 0 H GLU A 48 -6.588 7.977 3.034 1.00 31.10 H new ATOM 0 HA GLU A 48 -9.171 7.355 2.198 1.00 42.13 H new ATOM 0 HB2 GLU A 48 -8.556 7.978 4.536 1.00 54.11 H new ATOM 0 HB3 GLU A 48 -8.223 9.621 4.024 1.00 54.11 H new ATOM 0 HG2 GLU A 48 -10.406 9.645 5.071 1.00 1.23 H new ATOM 0 HG3 GLU A 48 -10.680 9.841 3.351 1.00 1.23 H new ATOM 688 N SER A 49 -8.044 10.374 1.319 1.00 35.34 N ATOM 689 CA SER A 49 -8.276 11.531 0.475 1.00 33.12 C ATOM 690 C SER A 49 -8.321 11.092 -0.980 1.00 44.23 C ATOM 691 O SER A 49 -9.144 11.570 -1.764 1.00 23.23 O ATOM 692 CB SER A 49 -7.135 12.559 0.623 1.00 4.11 C ATOM 693 OG SER A 49 -7.060 13.010 1.980 1.00 51.11 O ATOM 0 H SER A 49 -7.165 10.408 1.835 1.00 35.34 H new ATOM 0 HA SER A 49 -9.219 11.986 0.778 1.00 33.12 H new ATOM 0 HB2 SER A 49 -6.187 12.109 0.327 1.00 4.11 H new ATOM 0 HB3 SER A 49 -7.307 13.405 -0.042 1.00 4.11 H new ATOM 0 HG SER A 49 -6.677 12.302 2.539 1.00 51.11 H new ATOM 699 N ASP A 50 -7.423 10.164 -1.358 1.00 23.42 N ATOM 700 CA ASP A 50 -7.348 9.691 -2.742 1.00 1.14 C ATOM 701 C ASP A 50 -8.607 8.904 -3.042 1.00 13.32 C ATOM 702 O ASP A 50 -9.260 9.120 -4.059 1.00 62.33 O ATOM 703 CB ASP A 50 -6.114 8.803 -3.029 1.00 41.24 C ATOM 704 CG ASP A 50 -6.028 8.550 -4.531 1.00 71.34 C ATOM 705 OD1 ASP A 50 -6.860 7.804 -5.057 1.00 74.34 O ATOM 706 OD2 ASP A 50 -5.132 9.112 -5.188 1.00 54.40 O ATOM 0 H ASP A 50 -6.747 9.733 -0.727 1.00 23.42 H new ATOM 0 HA ASP A 50 -7.251 10.568 -3.381 1.00 1.14 H new ATOM 0 HB2 ASP A 50 -5.206 9.293 -2.676 1.00 41.24 H new ATOM 0 HB3 ASP A 50 -6.196 7.858 -2.491 1.00 41.24 H new ATOM 711 N GLY A 51 -9.003 8.017 -2.120 1.00 72.31 N ATOM 712 CA GLY A 51 -10.255 7.286 -2.272 1.00 65.42 C ATOM 713 C GLY A 51 -10.009 5.964 -2.942 1.00 41.41 C ATOM 714 O GLY A 51 -10.714 4.988 -2.670 1.00 51.01 O ATOM 0 H GLY A 51 -8.479 7.794 -1.274 1.00 72.31 H new ATOM 0 HA2 GLY A 51 -10.712 7.127 -1.295 1.00 65.42 H new ATOM 0 HA3 GLY A 51 -10.958 7.875 -2.861 1.00 65.42 H new ATOM 718 N ARG A 52 -9.016 5.900 -3.854 1.00 43.05 N ATOM 719 CA ARG A 52 -8.816 4.699 -4.661 1.00 3.01 C ATOM 720 C ARG A 52 -8.183 3.632 -3.809 1.00 45.41 C ATOM 721 O ARG A 52 -8.521 2.464 -3.931 1.00 31.12 O ATOM 722 CB ARG A 52 -7.943 4.928 -5.908 1.00 23.22 C ATOM 723 CG ARG A 52 -8.653 5.801 -6.962 1.00 44.13 C ATOM 724 CD ARG A 52 -7.757 6.203 -8.137 1.00 71.34 C ATOM 725 NE ARG A 52 -6.664 7.062 -7.583 1.00 72.33 N ATOM 726 CZ ARG A 52 -5.797 7.756 -8.385 1.00 54.21 C ATOM 727 NH1 ARG A 52 -5.812 7.587 -9.742 1.00 54.03 N ATOM 728 NH2 ARG A 52 -4.916 8.621 -7.813 1.00 25.05 N ATOM 0 H ARG A 52 -8.357 6.655 -4.041 1.00 43.05 H new ATOM 0 HA ARG A 52 -9.800 4.396 -5.018 1.00 3.01 H new ATOM 0 HB2 ARG A 52 -7.009 5.405 -5.613 1.00 23.22 H new ATOM 0 HB3 ARG A 52 -7.684 3.966 -6.350 1.00 23.22 H new ATOM 0 HG2 ARG A 52 -9.518 5.260 -7.345 1.00 44.13 H new ATOM 0 HG3 ARG A 52 -9.030 6.703 -6.479 1.00 44.13 H new ATOM 0 HD2 ARG A 52 -7.343 5.321 -8.625 1.00 71.34 H new ATOM 0 HD3 ARG A 52 -8.329 6.745 -8.890 1.00 71.34 H new ATOM 0 HE ARG A 52 -6.561 7.133 -6.571 1.00 72.33 H new ATOM 0 HH11 ARG A 52 -6.474 6.938 -10.168 1.00 54.03 H new ATOM 0 HH12 ARG A 52 -5.161 8.110 -10.328 1.00 54.03 H new ATOM 0 HH21 ARG A 52 -4.908 8.745 -6.801 1.00 25.05 H new ATOM 0 HH22 ARG A 52 -4.264 9.145 -8.397 1.00 25.05 H new ATOM 742 N ILE A 53 -7.272 4.014 -2.903 1.00 63.51 N ATOM 743 CA ILE A 53 -6.673 3.034 -2.019 1.00 10.54 C ATOM 744 C ILE A 53 -7.511 3.075 -0.781 1.00 73.33 C ATOM 745 O ILE A 53 -7.909 4.153 -0.344 1.00 2.15 O ATOM 746 CB ILE A 53 -5.221 3.352 -1.651 1.00 64.20 C ATOM 747 CG1 ILE A 53 -4.362 3.429 -2.928 1.00 24.55 C ATOM 748 CG2 ILE A 53 -4.696 2.288 -0.644 1.00 51.53 C ATOM 749 CD1 ILE A 53 -2.890 3.705 -2.641 1.00 72.31 C ATOM 0 H ILE A 53 -6.947 4.972 -2.773 1.00 63.51 H new ATOM 0 HA ILE A 53 -6.646 2.060 -2.509 1.00 10.54 H new ATOM 0 HB ILE A 53 -5.159 4.325 -1.163 1.00 64.20 H new ATOM 0 HG12 ILE A 53 -4.450 2.490 -3.475 1.00 24.55 H new ATOM 0 HG13 ILE A 53 -4.753 4.214 -3.576 1.00 24.55 H new ATOM 0 HG21 ILE A 53 -3.662 2.514 -0.382 1.00 51.53 H new ATOM 0 HG22 ILE A 53 -5.311 2.304 0.256 1.00 51.53 H new ATOM 0 HG23 ILE A 53 -4.747 1.299 -1.100 1.00 51.53 H new ATOM 0 HD11 ILE A 53 -2.338 3.748 -3.580 1.00 72.31 H new ATOM 0 HD12 ILE A 53 -2.793 4.657 -2.120 1.00 72.31 H new ATOM 0 HD13 ILE A 53 -2.485 2.908 -2.018 1.00 72.31 H new ATOM 761 N HIS A 54 -7.823 1.906 -0.199 1.00 12.20 N ATOM 762 CA HIS A 54 -8.575 1.877 1.030 1.00 75.15 C ATOM 763 C HIS A 54 -7.914 0.863 1.895 1.00 24.34 C ATOM 764 O HIS A 54 -6.913 0.259 1.504 1.00 61.13 O ATOM 765 CB HIS A 54 -10.085 1.518 0.869 1.00 34.33 C ATOM 766 CG HIS A 54 -10.353 0.203 0.183 1.00 41.24 C ATOM 767 ND1 HIS A 54 -10.213 -1.010 0.807 1.00 64.00 N ATOM 768 CD2 HIS A 54 -10.775 -0.043 -1.067 1.00 14.20 C ATOM 769 CE1 HIS A 54 -10.544 -1.962 -0.049 1.00 72.21 C ATOM 770 NE2 HIS A 54 -10.887 -1.397 -1.197 1.00 34.13 N ATOM 0 H HIS A 54 -7.563 0.990 -0.566 1.00 12.20 H new ATOM 0 HA HIS A 54 -8.573 2.882 1.452 1.00 75.15 H new ATOM 0 HB2 HIS A 54 -10.546 1.497 1.856 1.00 34.33 H new ATOM 0 HB3 HIS A 54 -10.575 2.312 0.305 1.00 34.33 H new ATOM 0 HD1 HIS A 54 -9.906 -1.154 1.769 1.00 64.00 H new ATOM 0 HD2 HIS A 54 -10.987 0.693 -1.828 1.00 14.20 H new ATOM 0 HE1 HIS A 54 -10.536 -3.023 0.154 1.00 72.21 H new ATOM 779 N LYS A 55 -8.442 0.677 3.117 1.00 2.13 N ATOM 780 CA LYS A 55 -7.861 -0.223 4.086 1.00 11.51 C ATOM 781 C LYS A 55 -7.959 -1.627 3.559 1.00 3.40 C ATOM 782 O LYS A 55 -8.957 -2.011 2.972 1.00 72.01 O ATOM 783 CB LYS A 55 -8.615 -0.172 5.438 1.00 74.41 C ATOM 784 CG LYS A 55 -7.943 -0.937 6.594 1.00 43.25 C ATOM 785 CD LYS A 55 -8.820 -1.007 7.853 1.00 52.12 C ATOM 786 CE LYS A 55 -9.269 0.377 8.373 1.00 25.04 C ATOM 787 NZ LYS A 55 -10.175 0.245 9.526 1.00 52.55 N ATOM 0 H LYS A 55 -9.282 1.153 3.445 1.00 2.13 H new ATOM 0 HA LYS A 55 -6.826 0.079 4.247 1.00 11.51 H new ATOM 0 HB2 LYS A 55 -8.730 0.871 5.732 1.00 74.41 H new ATOM 0 HB3 LYS A 55 -9.618 -0.574 5.292 1.00 74.41 H new ATOM 0 HG2 LYS A 55 -7.707 -1.949 6.265 1.00 43.25 H new ATOM 0 HG3 LYS A 55 -6.998 -0.454 6.842 1.00 43.25 H new ATOM 0 HD2 LYS A 55 -9.703 -1.609 7.637 1.00 52.12 H new ATOM 0 HD3 LYS A 55 -8.269 -1.521 8.641 1.00 52.12 H new ATOM 0 HE2 LYS A 55 -8.395 0.962 8.659 1.00 25.04 H new ATOM 0 HE3 LYS A 55 -9.770 0.923 7.574 1.00 25.04 H new ATOM 0 HZ1 LYS A 55 -10.460 1.190 9.854 1.00 52.55 H new ATOM 0 HZ2 LYS A 55 -11.019 -0.293 9.244 1.00 52.55 H new ATOM 0 HZ3 LYS A 55 -9.687 -0.256 10.296 1.00 52.55 H new ATOM 801 N GLY A 56 -6.905 -2.418 3.765 1.00 52.41 N ATOM 802 CA GLY A 56 -6.947 -3.813 3.411 1.00 21.14 C ATOM 803 C GLY A 56 -6.599 -3.997 1.967 1.00 50.33 C ATOM 804 O GLY A 56 -6.561 -5.123 1.500 1.00 4.22 O ATOM 0 H GLY A 56 -6.023 -2.107 4.173 1.00 52.41 H new ATOM 0 HA2 GLY A 56 -6.250 -4.374 4.034 1.00 21.14 H new ATOM 0 HA3 GLY A 56 -7.942 -4.214 3.606 1.00 21.14 H new ATOM 808 N ASP A 57 -6.371 -2.902 1.191 1.00 63.22 N ATOM 809 CA ASP A 57 -6.120 -3.078 -0.247 1.00 23.33 C ATOM 810 C ASP A 57 -4.725 -3.645 -0.392 1.00 45.12 C ATOM 811 O ASP A 57 -3.901 -3.514 0.518 1.00 55.45 O ATOM 812 CB ASP A 57 -6.268 -1.786 -1.104 1.00 61.01 C ATOM 813 CG ASP A 57 -6.660 -2.162 -2.550 1.00 24.32 C ATOM 814 OD1 ASP A 57 -6.637 -3.366 -2.904 1.00 50.40 O ATOM 815 OD2 ASP A 57 -7.045 -1.254 -3.313 1.00 53.22 O ATOM 0 H ASP A 57 -6.357 -1.938 1.525 1.00 63.22 H new ATOM 0 HA ASP A 57 -6.887 -3.749 -0.635 1.00 23.33 H new ATOM 0 HB2 ASP A 57 -7.026 -1.135 -0.669 1.00 61.01 H new ATOM 0 HB3 ASP A 57 -5.331 -1.229 -1.104 1.00 61.01 H new ATOM 820 N ARG A 58 -4.471 -4.359 -1.493 1.00 3.33 N ATOM 821 CA ARG A 58 -3.288 -5.188 -1.603 1.00 34.15 C ATOM 822 C ARG A 58 -2.298 -4.450 -2.437 1.00 34.24 C ATOM 823 O ARG A 58 -2.534 -4.190 -3.610 1.00 64.12 O ATOM 824 CB ARG A 58 -3.615 -6.550 -2.286 1.00 1.41 C ATOM 825 CG ARG A 58 -2.471 -7.588 -2.369 1.00 11.42 C ATOM 826 CD ARG A 58 -1.461 -7.345 -3.513 1.00 75.44 C ATOM 827 NE ARG A 58 -0.805 -8.659 -3.837 1.00 63.15 N ATOM 828 CZ ARG A 58 0.471 -8.993 -3.436 1.00 34.51 C ATOM 829 NH1 ARG A 58 1.258 -8.101 -2.755 1.00 1.43 N ATOM 830 NH2 ARG A 58 0.944 -10.235 -3.724 1.00 33.54 N ATOM 0 H ARG A 58 -5.074 -4.373 -2.315 1.00 3.33 H new ATOM 0 HA ARG A 58 -2.897 -5.397 -0.607 1.00 34.15 H new ATOM 0 HB2 ARG A 58 -4.448 -7.006 -1.750 1.00 1.41 H new ATOM 0 HB3 ARG A 58 -3.961 -6.346 -3.299 1.00 1.41 H new ATOM 0 HG2 ARG A 58 -1.932 -7.591 -1.421 1.00 11.42 H new ATOM 0 HG3 ARG A 58 -2.907 -8.580 -2.492 1.00 11.42 H new ATOM 0 HD2 ARG A 58 -1.968 -6.945 -4.391 1.00 75.44 H new ATOM 0 HD3 ARG A 58 -0.715 -6.609 -3.213 1.00 75.44 H new ATOM 0 HE ARG A 58 -1.333 -9.340 -4.383 1.00 63.15 H new ATOM 0 HH11 ARG A 58 0.902 -7.170 -2.536 1.00 1.43 H new ATOM 0 HH12 ARG A 58 2.199 -8.368 -2.467 1.00 1.43 H new ATOM 0 HH21 ARG A 58 0.357 -10.900 -4.228 1.00 33.54 H new ATOM 0 HH22 ARG A 58 1.885 -10.502 -3.436 1.00 33.54 H new ATOM 844 N VAL A 59 -1.138 -4.135 -1.845 1.00 33.13 N ATOM 845 CA VAL A 59 -0.089 -3.441 -2.532 1.00 1.43 C ATOM 846 C VAL A 59 0.931 -4.500 -2.848 1.00 51.31 C ATOM 847 O VAL A 59 1.096 -5.453 -2.093 1.00 74.14 O ATOM 848 CB VAL A 59 0.572 -2.359 -1.659 1.00 20.24 C ATOM 849 CG1 VAL A 59 1.560 -1.524 -2.515 1.00 32.15 C ATOM 850 CG2 VAL A 59 -0.541 -1.496 -1.020 1.00 75.21 C ATOM 0 H VAL A 59 -0.920 -4.363 -0.875 1.00 33.13 H new ATOM 0 HA VAL A 59 -0.484 -2.931 -3.411 1.00 1.43 H new ATOM 0 HB VAL A 59 1.155 -2.807 -0.855 1.00 20.24 H new ATOM 0 HG11 VAL A 59 2.025 -0.760 -1.892 1.00 32.15 H new ATOM 0 HG12 VAL A 59 2.331 -2.178 -2.923 1.00 32.15 H new ATOM 0 HG13 VAL A 59 1.020 -1.047 -3.332 1.00 32.15 H new ATOM 0 HG21 VAL A 59 -0.090 -0.723 -0.397 1.00 75.21 H new ATOM 0 HG22 VAL A 59 -1.135 -1.028 -1.805 1.00 75.21 H new ATOM 0 HG23 VAL A 59 -1.184 -2.127 -0.406 1.00 75.21 H new ATOM 860 N LEU A 60 1.608 -4.382 -3.983 1.00 74.21 N ATOM 861 CA LEU A 60 2.667 -5.318 -4.290 1.00 52.11 C ATOM 862 C LEU A 60 3.920 -4.543 -4.419 1.00 35.30 C ATOM 863 O LEU A 60 4.934 -4.915 -3.854 1.00 72.10 O ATOM 864 CB LEU A 60 2.475 -6.164 -5.580 1.00 20.22 C ATOM 865 CG LEU A 60 1.847 -5.434 -6.772 1.00 64.24 C ATOM 866 CD1 LEU A 60 2.409 -5.923 -8.094 1.00 51.12 C ATOM 867 CD2 LEU A 60 0.331 -5.513 -6.748 1.00 74.55 C ATOM 0 H LEU A 60 1.444 -3.663 -4.688 1.00 74.21 H new ATOM 0 HA LEU A 60 2.677 -6.042 -3.476 1.00 52.11 H new ATOM 0 HB2 LEU A 60 3.447 -6.550 -5.886 1.00 20.22 H new ATOM 0 HB3 LEU A 60 1.853 -7.025 -5.337 1.00 20.22 H new ATOM 0 HG LEU A 60 2.117 -4.382 -6.676 1.00 64.24 H new ATOM 0 HD11 LEU A 60 1.937 -5.380 -8.913 1.00 51.12 H new ATOM 0 HD12 LEU A 60 3.485 -5.752 -8.117 1.00 51.12 H new ATOM 0 HD13 LEU A 60 2.209 -6.989 -8.203 1.00 51.12 H new ATOM 0 HD21 LEU A 60 -0.075 -4.983 -7.610 1.00 74.55 H new ATOM 0 HD22 LEU A 60 0.020 -6.557 -6.785 1.00 74.55 H new ATOM 0 HD23 LEU A 60 -0.043 -5.055 -5.832 1.00 74.55 H new ATOM 879 N ALA A 61 3.883 -3.449 -5.186 1.00 32.04 N ATOM 880 CA ALA A 61 5.109 -2.786 -5.504 1.00 24.51 C ATOM 881 C ALA A 61 4.982 -1.349 -5.226 1.00 74.25 C ATOM 882 O ALA A 61 3.895 -0.816 -5.003 1.00 70.51 O ATOM 883 CB ALA A 61 5.547 -2.944 -6.983 1.00 75.21 C ATOM 0 H ALA A 61 3.039 -3.030 -5.577 1.00 32.04 H new ATOM 0 HA ALA A 61 5.868 -3.259 -4.882 1.00 24.51 H new ATOM 0 HB1 ALA A 61 6.485 -2.413 -7.143 1.00 75.21 H new ATOM 0 HB2 ALA A 61 5.685 -4.001 -7.211 1.00 75.21 H new ATOM 0 HB3 ALA A 61 4.779 -2.530 -7.636 1.00 75.21 H new ATOM 889 N VAL A 62 6.147 -0.707 -5.236 1.00 64.21 N ATOM 890 CA VAL A 62 6.273 0.681 -5.012 1.00 74.04 C ATOM 891 C VAL A 62 7.204 1.127 -6.081 1.00 11.52 C ATOM 892 O VAL A 62 8.410 0.904 -6.001 1.00 10.12 O ATOM 893 CB VAL A 62 6.862 1.038 -3.653 1.00 42.22 C ATOM 894 CG1 VAL A 62 6.939 2.584 -3.526 1.00 32.34 C ATOM 895 CG2 VAL A 62 5.971 0.395 -2.574 1.00 33.40 C ATOM 0 H VAL A 62 7.037 -1.174 -5.407 1.00 64.21 H new ATOM 0 HA VAL A 62 5.293 1.157 -5.027 1.00 74.04 H new ATOM 0 HB VAL A 62 7.876 0.657 -3.532 1.00 42.22 H new ATOM 0 HG11 VAL A 62 7.360 2.849 -2.556 1.00 32.34 H new ATOM 0 HG12 VAL A 62 7.573 2.983 -4.318 1.00 32.34 H new ATOM 0 HG13 VAL A 62 5.938 3.007 -3.615 1.00 32.34 H new ATOM 0 HG21 VAL A 62 6.367 0.632 -1.586 1.00 33.40 H new ATOM 0 HG22 VAL A 62 4.956 0.783 -2.661 1.00 33.40 H new ATOM 0 HG23 VAL A 62 5.959 -0.686 -2.709 1.00 33.40 H new ATOM 905 N ASN A 63 6.644 1.745 -7.125 1.00 43.25 N ATOM 906 CA ASN A 63 7.399 2.284 -8.247 1.00 14.42 C ATOM 907 C ASN A 63 8.241 1.209 -8.902 1.00 14.24 C ATOM 908 O ASN A 63 9.370 1.449 -9.300 1.00 11.51 O ATOM 909 CB ASN A 63 8.284 3.508 -7.878 1.00 63.20 C ATOM 910 CG ASN A 63 8.687 4.235 -9.162 1.00 1.24 C ATOM 911 OD1 ASN A 63 7.820 4.597 -9.981 1.00 52.04 O ATOM 912 ND2 ASN A 63 9.997 4.456 -9.350 1.00 30.13 N ATOM 0 H ASN A 63 5.637 1.884 -7.210 1.00 43.25 H new ATOM 0 HA ASN A 63 6.653 2.644 -8.955 1.00 14.42 H new ATOM 0 HB2 ASN A 63 7.738 4.183 -7.219 1.00 63.20 H new ATOM 0 HB3 ASN A 63 9.171 3.181 -7.336 1.00 63.20 H new ATOM 0 HD21 ASN A 63 10.318 4.938 -10.190 1.00 30.13 H new ATOM 0 HD22 ASN A 63 10.672 4.142 -8.653 1.00 30.13 H new ATOM 919 N GLY A 64 7.689 -0.003 -9.063 1.00 1.24 N ATOM 920 CA GLY A 64 8.407 -1.041 -9.782 1.00 62.33 C ATOM 921 C GLY A 64 9.377 -1.726 -8.860 1.00 41.25 C ATOM 922 O GLY A 64 10.256 -2.456 -9.321 1.00 70.24 O ATOM 0 H GLY A 64 6.771 -0.275 -8.712 1.00 1.24 H new ATOM 0 HA2 GLY A 64 7.703 -1.767 -10.188 1.00 62.33 H new ATOM 0 HA3 GLY A 64 8.940 -0.607 -10.628 1.00 62.33 H new ATOM 926 N VAL A 65 9.230 -1.534 -7.532 1.00 73.40 N ATOM 927 CA VAL A 65 10.023 -2.293 -6.596 1.00 72.12 C ATOM 928 C VAL A 65 9.028 -3.181 -5.898 1.00 74.45 C ATOM 929 O VAL A 65 8.127 -2.700 -5.244 1.00 44.32 O ATOM 930 CB VAL A 65 10.744 -1.427 -5.564 1.00 34.23 C ATOM 931 CG1 VAL A 65 11.624 -2.329 -4.665 1.00 52.42 C ATOM 932 CG2 VAL A 65 11.572 -0.362 -6.328 1.00 2.13 C ATOM 0 H VAL A 65 8.580 -0.871 -7.110 1.00 73.40 H new ATOM 0 HA VAL A 65 10.813 -2.831 -7.120 1.00 72.12 H new ATOM 0 HB VAL A 65 10.041 -0.912 -4.909 1.00 34.23 H new ATOM 0 HG11 VAL A 65 12.140 -1.715 -3.927 1.00 52.42 H new ATOM 0 HG12 VAL A 65 10.995 -3.058 -4.154 1.00 52.42 H new ATOM 0 HG13 VAL A 65 12.358 -2.851 -5.280 1.00 52.42 H new ATOM 0 HG21 VAL A 65 12.098 0.271 -5.614 1.00 2.13 H new ATOM 0 HG22 VAL A 65 12.296 -0.859 -6.974 1.00 2.13 H new ATOM 0 HG23 VAL A 65 10.905 0.251 -6.934 1.00 2.13 H new ATOM 942 N SER A 66 9.184 -4.503 -6.078 1.00 14.14 N ATOM 943 CA SER A 66 8.207 -5.505 -5.628 1.00 43.14 C ATOM 944 C SER A 66 8.285 -5.734 -4.140 1.00 60.34 C ATOM 945 O SER A 66 7.602 -6.623 -3.627 1.00 3.33 O ATOM 946 CB SER A 66 8.433 -6.872 -6.319 1.00 30.32 C ATOM 947 OG SER A 66 8.523 -6.712 -7.746 1.00 54.13 O ATOM 0 H SER A 66 9.997 -4.908 -6.543 1.00 14.14 H new ATOM 0 HA SER A 66 7.229 -5.104 -5.894 1.00 43.14 H new ATOM 0 HB2 SER A 66 9.347 -7.329 -5.941 1.00 30.32 H new ATOM 0 HB3 SER A 66 7.614 -7.548 -6.075 1.00 30.32 H new ATOM 0 HG SER A 66 8.668 -7.586 -8.165 1.00 54.13 H new ATOM 953 N LEU A 67 9.098 -4.906 -3.422 1.00 44.22 N ATOM 954 CA LEU A 67 9.345 -5.012 -1.955 1.00 40.11 C ATOM 955 C LEU A 67 9.340 -6.468 -1.482 1.00 4.24 C ATOM 956 O LEU A 67 8.780 -6.776 -0.424 1.00 13.50 O ATOM 957 CB LEU A 67 8.251 -4.279 -1.130 1.00 51.13 C ATOM 958 CG LEU A 67 8.069 -2.792 -1.398 1.00 42.42 C ATOM 959 CD1 LEU A 67 6.974 -2.202 -0.487 1.00 1.24 C ATOM 960 CD2 LEU A 67 9.362 -2.025 -1.301 1.00 31.51 C ATOM 0 H LEU A 67 9.607 -4.135 -3.854 1.00 44.22 H new ATOM 0 HA LEU A 67 10.322 -4.555 -1.794 1.00 40.11 H new ATOM 0 HB2 LEU A 67 7.298 -4.776 -1.313 1.00 51.13 H new ATOM 0 HB3 LEU A 67 8.480 -4.408 -0.072 1.00 51.13 H new ATOM 0 HG LEU A 67 7.737 -2.686 -2.431 1.00 42.42 H new ATOM 0 HD11 LEU A 67 6.861 -1.138 -0.696 1.00 1.24 H new ATOM 0 HD12 LEU A 67 6.029 -2.711 -0.677 1.00 1.24 H new ATOM 0 HD13 LEU A 67 7.256 -2.339 0.557 1.00 1.24 H new ATOM 0 HD21 LEU A 67 9.175 -0.970 -1.501 1.00 31.51 H new ATOM 0 HD22 LEU A 67 9.777 -2.137 -0.299 1.00 31.51 H new ATOM 0 HD23 LEU A 67 10.071 -2.413 -2.033 1.00 31.51 H new ATOM 972 N GLU A 68 9.891 -7.406 -2.278 1.00 13.10 N ATOM 973 CA GLU A 68 9.687 -8.804 -1.973 1.00 31.30 C ATOM 974 C GLU A 68 10.568 -9.200 -0.841 1.00 0.42 C ATOM 975 O GLU A 68 11.775 -8.917 -0.831 1.00 15.14 O ATOM 976 CB GLU A 68 9.843 -9.776 -3.155 1.00 44.11 C ATOM 977 CG GLU A 68 11.103 -9.584 -4.007 1.00 33.13 C ATOM 978 CD GLU A 68 10.971 -10.511 -5.185 1.00 15.43 C ATOM 979 OE1 GLU A 68 10.961 -11.741 -4.979 1.00 52.33 O ATOM 980 OE2 GLU A 68 10.815 -10.017 -6.317 1.00 65.21 O ATOM 0 H GLU A 68 10.458 -7.215 -3.104 1.00 13.10 H new ATOM 0 HA GLU A 68 8.636 -8.891 -1.698 1.00 31.30 H new ATOM 0 HB2 GLU A 68 9.840 -10.795 -2.768 1.00 44.11 H new ATOM 0 HB3 GLU A 68 8.971 -9.678 -3.801 1.00 44.11 H new ATOM 0 HG2 GLU A 68 11.194 -8.549 -4.337 1.00 33.13 H new ATOM 0 HG3 GLU A 68 11.999 -9.815 -3.431 1.00 33.13 H new ATOM 987 N GLY A 69 9.964 -9.845 0.167 1.00 64.24 N ATOM 988 CA GLY A 69 10.706 -10.337 1.300 1.00 34.12 C ATOM 989 C GLY A 69 10.992 -9.202 2.227 1.00 13.42 C ATOM 990 O GLY A 69 11.659 -9.388 3.244 1.00 1.33 O ATOM 0 H GLY A 69 8.962 -10.030 0.206 1.00 64.24 H new ATOM 0 HA2 GLY A 69 10.136 -11.109 1.816 1.00 34.12 H new ATOM 0 HA3 GLY A 69 11.638 -10.796 0.969 1.00 34.12 H new ATOM 994 N ALA A 70 10.521 -7.962 1.894 1.00 74.41 N ATOM 995 CA ALA A 70 10.764 -6.828 2.745 1.00 24.02 C ATOM 996 C ALA A 70 10.006 -7.032 4.008 1.00 41.21 C ATOM 997 O ALA A 70 8.999 -7.722 4.031 1.00 42.32 O ATOM 998 CB ALA A 70 10.312 -5.481 2.140 1.00 21.41 C ATOM 0 H ALA A 70 9.984 -7.757 1.051 1.00 74.41 H new ATOM 0 HA ALA A 70 11.842 -6.769 2.894 1.00 24.02 H new ATOM 0 HB1 ALA A 70 10.529 -4.676 2.842 1.00 21.41 H new ATOM 0 HB2 ALA A 70 10.847 -5.303 1.207 1.00 21.41 H new ATOM 0 HB3 ALA A 70 9.240 -5.512 1.944 1.00 21.41 H new ATOM 1004 N THR A 71 10.496 -6.458 5.092 1.00 61.22 N ATOM 1005 CA THR A 71 9.854 -6.616 6.350 1.00 14.41 C ATOM 1006 C THR A 71 8.669 -5.659 6.388 1.00 13.00 C ATOM 1007 O THR A 71 8.598 -4.696 5.614 1.00 45.50 O ATOM 1008 CB THR A 71 10.799 -6.350 7.507 1.00 32.51 C ATOM 1009 OG1 THR A 71 11.520 -5.125 7.284 1.00 41.30 O ATOM 1010 CG2 THR A 71 11.802 -7.522 7.562 1.00 63.41 C ATOM 0 H THR A 71 11.337 -5.881 5.109 1.00 61.22 H new ATOM 0 HA THR A 71 9.519 -7.647 6.460 1.00 14.41 H new ATOM 0 HB THR A 71 10.241 -6.262 8.439 1.00 32.51 H new ATOM 0 HG1 THR A 71 12.126 -4.961 8.036 1.00 41.30 H new ATOM 0 HG21 THR A 71 12.500 -7.365 8.384 1.00 63.41 H new ATOM 0 HG22 THR A 71 11.262 -8.456 7.717 1.00 63.41 H new ATOM 0 HG23 THR A 71 12.353 -7.573 6.623 1.00 63.41 H new ATOM 1018 N HIS A 72 7.700 -5.940 7.286 1.00 52.22 N ATOM 1019 CA HIS A 72 6.486 -5.136 7.394 1.00 15.23 C ATOM 1020 C HIS A 72 6.880 -3.747 7.784 1.00 42.44 C ATOM 1021 O HIS A 72 6.379 -2.777 7.246 1.00 13.12 O ATOM 1022 CB HIS A 72 5.455 -5.679 8.421 1.00 53.54 C ATOM 1023 CG HIS A 72 5.872 -5.578 9.874 1.00 14.24 C ATOM 1024 ND1 HIS A 72 5.236 -4.757 10.760 1.00 70.14 N ATOM 1025 CD2 HIS A 72 6.833 -6.226 10.556 1.00 22.10 C ATOM 1026 CE1 HIS A 72 5.802 -4.896 11.947 1.00 61.51 C ATOM 1027 NE2 HIS A 72 6.778 -5.785 11.844 1.00 22.14 N ATOM 0 H HIS A 72 7.745 -6.720 7.942 1.00 52.22 H new ATOM 0 HA HIS A 72 5.992 -5.169 6.423 1.00 15.23 H new ATOM 0 HB2 HIS A 72 4.518 -5.138 8.291 1.00 53.54 H new ATOM 0 HB3 HIS A 72 5.254 -6.725 8.190 1.00 53.54 H new ATOM 0 HD2 HIS A 72 7.519 -6.958 10.158 1.00 22.10 H new ATOM 0 HE1 HIS A 72 5.517 -4.373 12.848 1.00 61.51 H new ATOM 0 HE2 HIS A 72 7.388 -6.089 12.603 1.00 22.14 H new ATOM 1036 N LYS A 73 7.845 -3.652 8.723 1.00 62.41 N ATOM 1037 CA LYS A 73 8.387 -2.385 9.158 1.00 33.10 C ATOM 1038 C LYS A 73 8.971 -1.637 7.969 1.00 73.24 C ATOM 1039 O LYS A 73 8.762 -0.445 7.848 1.00 3.54 O ATOM 1040 CB LYS A 73 9.478 -2.541 10.252 1.00 53.32 C ATOM 1041 CG LYS A 73 10.581 -3.556 9.892 1.00 0.23 C ATOM 1042 CD LYS A 73 11.541 -3.872 11.030 1.00 44.05 C ATOM 1043 CE LYS A 73 12.431 -2.694 11.437 1.00 70.43 C ATOM 1044 NZ LYS A 73 13.328 -3.089 12.536 1.00 34.54 N ATOM 0 H LYS A 73 8.257 -4.460 9.189 1.00 62.41 H new ATOM 0 HA LYS A 73 7.563 -1.822 9.596 1.00 33.10 H new ATOM 0 HB2 LYS A 73 9.937 -1.569 10.435 1.00 53.32 H new ATOM 0 HB3 LYS A 73 9.003 -2.850 11.183 1.00 53.32 H new ATOM 0 HG2 LYS A 73 10.111 -4.482 9.561 1.00 0.23 H new ATOM 0 HG3 LYS A 73 11.152 -3.169 9.048 1.00 0.23 H new ATOM 0 HD2 LYS A 73 10.966 -4.197 11.897 1.00 44.05 H new ATOM 0 HD3 LYS A 73 12.175 -4.709 10.736 1.00 44.05 H new ATOM 0 HE2 LYS A 73 13.018 -2.360 10.581 1.00 70.43 H new ATOM 0 HE3 LYS A 73 11.812 -1.852 11.748 1.00 70.43 H new ATOM 0 HZ1 LYS A 73 13.926 -2.281 12.803 1.00 34.54 H new ATOM 0 HZ2 LYS A 73 12.762 -3.387 13.356 1.00 34.54 H new ATOM 0 HZ3 LYS A 73 13.930 -3.878 12.226 1.00 34.54 H new ATOM 1058 N GLN A 74 9.701 -2.338 7.042 1.00 61.42 N ATOM 1059 CA GLN A 74 10.350 -1.669 5.914 1.00 22.21 C ATOM 1060 C GLN A 74 9.285 -1.112 5.006 1.00 31.43 C ATOM 1061 O GLN A 74 9.458 -0.059 4.422 1.00 35.30 O ATOM 1062 CB GLN A 74 11.228 -2.646 5.068 1.00 63.10 C ATOM 1063 CG GLN A 74 11.998 -1.982 3.900 1.00 3.34 C ATOM 1064 CD GLN A 74 13.042 -1.035 4.474 1.00 21.43 C ATOM 1065 OE1 GLN A 74 12.944 0.188 4.326 1.00 51.33 O ATOM 1066 NE2 GLN A 74 14.062 -1.594 5.144 1.00 22.35 N ATOM 0 H GLN A 74 9.840 -3.348 7.071 1.00 61.42 H new ATOM 0 HA GLN A 74 10.994 -0.890 6.322 1.00 22.21 H new ATOM 0 HB2 GLN A 74 11.946 -3.131 5.729 1.00 63.10 H new ATOM 0 HB3 GLN A 74 10.588 -3.430 4.663 1.00 63.10 H new ATOM 0 HG2 GLN A 74 12.477 -2.743 3.284 1.00 3.34 H new ATOM 0 HG3 GLN A 74 11.308 -1.437 3.255 1.00 3.34 H new ATOM 0 HE21 GLN A 74 14.110 -2.608 5.246 1.00 22.35 H new ATOM 0 HE22 GLN A 74 14.789 -1.005 5.551 1.00 22.35 H new ATOM 1075 N ALA A 75 8.141 -1.820 4.886 1.00 31.53 N ATOM 1076 CA ALA A 75 7.041 -1.366 4.031 1.00 52.14 C ATOM 1077 C ALA A 75 6.559 -0.009 4.529 1.00 41.11 C ATOM 1078 O ALA A 75 6.196 0.858 3.741 1.00 42.30 O ATOM 1079 CB ALA A 75 5.841 -2.339 4.023 1.00 51.24 C ATOM 0 H ALA A 75 7.963 -2.700 5.369 1.00 31.53 H new ATOM 0 HA ALA A 75 7.426 -1.311 3.013 1.00 52.14 H new ATOM 0 HB1 ALA A 75 5.059 -1.947 3.372 1.00 51.24 H new ATOM 0 HB2 ALA A 75 6.165 -3.313 3.656 1.00 51.24 H new ATOM 0 HB3 ALA A 75 5.451 -2.444 5.035 1.00 51.24 H new ATOM 1085 N VAL A 76 6.592 0.201 5.862 1.00 5.21 N ATOM 1086 CA VAL A 76 6.193 1.475 6.438 1.00 64.24 C ATOM 1087 C VAL A 76 7.287 2.476 6.118 1.00 42.41 C ATOM 1088 O VAL A 76 7.015 3.554 5.580 1.00 51.53 O ATOM 1089 CB VAL A 76 6.005 1.422 7.952 1.00 1.42 C ATOM 1090 CG1 VAL A 76 5.497 2.799 8.452 1.00 53.44 C ATOM 1091 CG2 VAL A 76 5.034 0.268 8.272 1.00 13.53 C ATOM 0 H VAL A 76 6.890 -0.497 6.543 1.00 5.21 H new ATOM 0 HA VAL A 76 5.229 1.753 6.013 1.00 64.24 H new ATOM 0 HB VAL A 76 6.943 1.226 8.471 1.00 1.42 H new ATOM 0 HG11 VAL A 76 5.361 2.766 9.533 1.00 53.44 H new ATOM 0 HG12 VAL A 76 6.227 3.569 8.201 1.00 53.44 H new ATOM 0 HG13 VAL A 76 4.546 3.031 7.974 1.00 53.44 H new ATOM 0 HG21 VAL A 76 4.882 0.208 9.350 1.00 13.53 H new ATOM 0 HG22 VAL A 76 4.078 0.450 7.781 1.00 13.53 H new ATOM 0 HG23 VAL A 76 5.454 -0.671 7.912 1.00 13.53 H new ATOM 1101 N CYS A 77 8.565 2.107 6.465 1.00 62.13 N ATOM 1102 CA CYS A 77 9.746 3.046 6.288 1.00 43.23 C ATOM 1103 C CYS A 77 9.758 3.548 4.822 1.00 21.41 C ATOM 1104 O CYS A 77 10.393 4.513 4.481 1.00 31.32 O ATOM 1105 CB CYS A 77 11.096 2.335 6.557 1.00 30.01 C ATOM 1106 SG CYS A 77 11.170 1.558 8.217 1.00 43.14 S ATOM 0 H CYS A 77 8.807 1.197 6.857 1.00 62.13 H new ATOM 0 HA CYS A 77 9.636 3.864 7.000 1.00 43.23 H new ATOM 0 HB2 CYS A 77 11.258 1.572 5.796 1.00 30.01 H new ATOM 0 HB3 CYS A 77 11.907 3.057 6.462 1.00 30.01 H new ATOM 1111 N THR A 78 9.219 2.704 3.909 1.00 0.35 N ATOM 1112 CA THR A 78 9.249 2.975 2.485 1.00 44.52 C ATOM 1113 C THR A 78 8.395 4.198 2.243 1.00 22.13 C ATOM 1114 O THR A 78 8.866 5.182 1.716 1.00 74.24 O ATOM 1115 CB THR A 78 8.722 1.805 1.652 1.00 32.43 C ATOM 1116 OG1 THR A 78 9.532 0.648 1.879 1.00 11.43 O ATOM 1117 CG2 THR A 78 8.775 2.173 0.148 1.00 32.43 C ATOM 0 H THR A 78 8.759 1.828 4.155 1.00 0.35 H new ATOM 0 HA THR A 78 10.282 3.133 2.177 1.00 44.52 H new ATOM 0 HB THR A 78 7.693 1.594 1.943 1.00 32.43 H new ATOM 0 HG1 THR A 78 9.394 0.327 2.794 1.00 11.43 H new ATOM 0 HG21 THR A 78 8.399 1.339 -0.444 1.00 32.43 H new ATOM 0 HG22 THR A 78 8.158 3.053 -0.033 1.00 32.43 H new ATOM 0 HG23 THR A 78 9.805 2.386 -0.138 1.00 32.43 H new ATOM 1125 N LEU A 79 7.112 4.151 2.678 1.00 22.44 N ATOM 1126 CA LEU A 79 6.179 5.270 2.497 1.00 73.23 C ATOM 1127 C LEU A 79 6.803 6.527 3.066 1.00 4.35 C ATOM 1128 O LEU A 79 6.946 7.512 2.373 1.00 64.42 O ATOM 1129 CB LEU A 79 4.812 5.039 3.180 1.00 72.10 C ATOM 1130 CG LEU A 79 4.077 3.777 2.662 1.00 15.30 C ATOM 1131 CD1 LEU A 79 2.768 3.511 3.424 1.00 73.54 C ATOM 1132 CD2 LEU A 79 3.871 3.783 1.125 1.00 2.33 C ATOM 0 H LEU A 79 6.708 3.346 3.156 1.00 22.44 H new ATOM 0 HA LEU A 79 5.994 5.363 1.427 1.00 73.23 H new ATOM 0 HB2 LEU A 79 4.961 4.949 4.256 1.00 72.10 H new ATOM 0 HB3 LEU A 79 4.180 5.912 3.018 1.00 72.10 H new ATOM 0 HG LEU A 79 4.740 2.938 2.872 1.00 15.30 H new ATOM 0 HD11 LEU A 79 2.290 2.617 3.025 1.00 73.54 H new ATOM 0 HD12 LEU A 79 2.986 3.364 4.482 1.00 73.54 H new ATOM 0 HD13 LEU A 79 2.099 4.363 3.306 1.00 73.54 H new ATOM 0 HD21 LEU A 79 3.351 2.873 0.824 1.00 2.33 H new ATOM 0 HD22 LEU A 79 3.277 4.652 0.841 1.00 2.33 H new ATOM 0 HD23 LEU A 79 4.840 3.828 0.628 1.00 2.33 H new ATOM 1144 N ARG A 80 7.202 6.464 4.342 1.00 21.32 N ATOM 1145 CA ARG A 80 7.908 7.583 5.007 1.00 22.12 C ATOM 1146 C ARG A 80 9.038 8.149 4.121 1.00 24.23 C ATOM 1147 O ARG A 80 9.203 9.369 4.034 1.00 53.01 O ATOM 1148 CB ARG A 80 8.542 7.192 6.360 1.00 24.43 C ATOM 1149 CG ARG A 80 7.550 6.574 7.358 1.00 75.44 C ATOM 1150 CD ARG A 80 8.171 6.345 8.745 1.00 14.50 C ATOM 1151 NE ARG A 80 8.471 7.690 9.341 1.00 44.51 N ATOM 1152 CZ ARG A 80 9.259 7.857 10.461 1.00 24.11 C ATOM 1153 NH1 ARG A 80 9.865 6.788 11.061 1.00 12.41 N ATOM 1154 NH2 ARG A 80 9.428 9.104 10.965 1.00 0.53 N ATOM 0 H ARG A 80 7.051 5.652 4.941 1.00 21.32 H new ATOM 0 HA ARG A 80 7.133 8.330 5.178 1.00 22.12 H new ATOM 0 HB2 ARG A 80 9.350 6.483 6.180 1.00 24.43 H new ATOM 0 HB3 ARG A 80 8.990 8.078 6.810 1.00 24.43 H new ATOM 0 HG2 ARG A 80 6.684 7.228 7.456 1.00 75.44 H new ATOM 0 HG3 ARG A 80 7.189 5.624 6.964 1.00 75.44 H new ATOM 0 HD2 ARG A 80 7.485 5.789 9.384 1.00 14.50 H new ATOM 0 HD3 ARG A 80 9.082 5.752 8.663 1.00 14.50 H new ATOM 0 HE ARG A 80 8.074 8.518 8.897 1.00 44.51 H new ATOM 0 HH11 ARG A 80 9.738 5.850 10.681 1.00 12.41 H new ATOM 0 HH12 ARG A 80 10.445 6.929 11.889 1.00 12.41 H new ATOM 0 HH21 ARG A 80 8.976 9.901 10.517 1.00 0.53 H new ATOM 0 HH22 ARG A 80 10.007 9.245 11.793 1.00 0.53 H new ATOM 1168 N ASN A 81 9.821 7.279 3.454 1.00 12.45 N ATOM 1169 CA ASN A 81 11.005 7.729 2.714 1.00 52.22 C ATOM 1170 C ASN A 81 10.631 8.152 1.293 1.00 11.04 C ATOM 1171 O ASN A 81 11.479 8.651 0.561 1.00 52.43 O ATOM 1172 CB ASN A 81 12.103 6.615 2.622 1.00 30.14 C ATOM 1173 CG ASN A 81 13.440 7.195 2.109 1.00 21.54 C ATOM 1174 OD1 ASN A 81 14.065 6.638 1.199 1.00 3.12 O ATOM 1175 ND2 ASN A 81 13.906 8.316 2.701 1.00 72.30 N ATOM 0 H ASN A 81 9.654 6.274 3.415 1.00 12.45 H new ATOM 0 HA ASN A 81 11.407 8.578 3.268 1.00 52.22 H new ATOM 0 HB2 ASN A 81 12.251 6.164 3.603 1.00 30.14 H new ATOM 0 HB3 ASN A 81 11.766 5.822 1.954 1.00 30.14 H new ATOM 0 HD21 ASN A 81 14.792 8.721 2.399 1.00 72.30 H new ATOM 0 HD22 ASN A 81 13.372 8.757 3.450 1.00 72.30 H new ATOM 1182 N THR A 82 9.365 7.967 0.858 1.00 74.52 N ATOM 1183 CA THR A 82 9.017 8.300 -0.531 1.00 4.44 C ATOM 1184 C THR A 82 8.685 9.787 -0.601 1.00 72.33 C ATOM 1185 O THR A 82 8.586 10.469 0.423 1.00 74.53 O ATOM 1186 CB THR A 82 7.847 7.490 -1.104 1.00 52.14 C ATOM 1187 OG1 THR A 82 6.735 7.481 -0.203 1.00 61.22 O ATOM 1188 CG2 THR A 82 8.310 6.047 -1.389 1.00 73.01 C ATOM 0 H THR A 82 8.599 7.604 1.425 1.00 74.52 H new ATOM 0 HA THR A 82 9.882 8.044 -1.142 1.00 4.44 H new ATOM 0 HB THR A 82 7.522 7.960 -2.032 1.00 52.14 H new ATOM 0 HG1 THR A 82 7.029 7.163 0.676 1.00 61.22 H new ATOM 0 HG21 THR A 82 7.478 5.472 -1.796 1.00 73.01 H new ATOM 0 HG22 THR A 82 9.128 6.063 -2.110 1.00 73.01 H new ATOM 0 HG23 THR A 82 8.652 5.585 -0.463 1.00 73.01 H new ATOM 1196 N GLY A 83 8.536 10.304 -1.840 1.00 44.51 N ATOM 1197 CA GLY A 83 8.286 11.717 -2.080 1.00 33.23 C ATOM 1198 C GLY A 83 6.835 12.015 -1.836 1.00 75.11 C ATOM 1199 O GLY A 83 6.127 11.263 -1.164 1.00 62.03 O ATOM 0 H GLY A 83 8.588 9.744 -2.691 1.00 44.51 H new ATOM 0 HA2 GLY A 83 8.909 12.324 -1.423 1.00 33.23 H new ATOM 0 HA3 GLY A 83 8.555 11.976 -3.104 1.00 33.23 H new ATOM 1203 N GLN A 84 6.356 13.151 -2.366 1.00 75.13 N ATOM 1204 CA GLN A 84 5.019 13.604 -2.082 1.00 4.21 C ATOM 1205 C GLN A 84 4.069 12.802 -2.915 1.00 51.51 C ATOM 1206 O GLN A 84 2.942 12.565 -2.507 1.00 62.21 O ATOM 1207 CB GLN A 84 4.789 15.108 -2.368 1.00 41.44 C ATOM 1208 CG GLN A 84 5.189 15.565 -3.786 1.00 4.23 C ATOM 1209 CD GLN A 84 4.621 16.953 -4.010 1.00 63.45 C ATOM 1210 OE1 GLN A 84 3.774 17.150 -4.892 1.00 2.45 O ATOM 1211 NE2 GLN A 84 5.065 17.927 -3.208 1.00 31.33 N ATOM 0 H GLN A 84 6.886 13.759 -2.990 1.00 75.13 H new ATOM 0 HA GLN A 84 4.854 13.466 -1.013 1.00 4.21 H new ATOM 0 HB2 GLN A 84 3.735 15.336 -2.212 1.00 41.44 H new ATOM 0 HB3 GLN A 84 5.353 15.692 -1.641 1.00 41.44 H new ATOM 0 HG2 GLN A 84 6.274 15.576 -3.891 1.00 4.23 H new ATOM 0 HG3 GLN A 84 4.804 14.871 -4.533 1.00 4.23 H new ATOM 0 HE21 GLN A 84 5.764 17.721 -2.494 1.00 31.33 H new ATOM 0 HE22 GLN A 84 4.705 18.876 -3.310 1.00 31.33 H new ATOM 1220 N VAL A 85 4.527 12.333 -4.089 1.00 23.23 N ATOM 1221 CA VAL A 85 3.719 11.475 -4.900 1.00 22.25 C ATOM 1222 C VAL A 85 4.457 10.180 -4.906 1.00 52.11 C ATOM 1223 O VAL A 85 5.683 10.161 -5.055 1.00 4.12 O ATOM 1224 CB VAL A 85 3.507 11.945 -6.340 1.00 22.41 C ATOM 1225 CG1 VAL A 85 2.605 10.920 -7.073 1.00 31.31 C ATOM 1226 CG2 VAL A 85 2.876 13.354 -6.304 1.00 32.23 C ATOM 0 H VAL A 85 5.447 12.545 -4.474 1.00 23.23 H new ATOM 0 HA VAL A 85 2.712 11.433 -4.486 1.00 22.25 H new ATOM 0 HB VAL A 85 4.450 12.007 -6.884 1.00 22.41 H new ATOM 0 HG11 VAL A 85 2.447 11.245 -8.101 1.00 31.31 H new ATOM 0 HG12 VAL A 85 3.089 9.943 -7.071 1.00 31.31 H new ATOM 0 HG13 VAL A 85 1.644 10.850 -6.563 1.00 31.31 H new ATOM 0 HG21 VAL A 85 2.717 13.707 -7.323 1.00 32.23 H new ATOM 0 HG22 VAL A 85 1.921 13.312 -5.781 1.00 32.23 H new ATOM 0 HG23 VAL A 85 3.545 14.039 -5.783 1.00 32.23 H new ATOM 1236 N VAL A 86 3.739 9.070 -4.705 1.00 44.43 N ATOM 1237 CA VAL A 86 4.358 7.783 -4.654 1.00 3.25 C ATOM 1238 C VAL A 86 3.676 6.993 -5.720 1.00 5.13 C ATOM 1239 O VAL A 86 2.484 7.146 -5.919 1.00 71.14 O ATOM 1240 CB VAL A 86 4.117 7.082 -3.319 1.00 32.32 C ATOM 1241 CG1 VAL A 86 5.015 5.826 -3.233 1.00 64.42 C ATOM 1242 CG2 VAL A 86 4.385 8.100 -2.189 1.00 71.43 C ATOM 0 H VAL A 86 2.727 9.059 -4.577 1.00 44.43 H new ATOM 0 HA VAL A 86 5.437 7.874 -4.782 1.00 3.25 H new ATOM 0 HB VAL A 86 3.088 6.737 -3.221 1.00 32.32 H new ATOM 0 HG11 VAL A 86 4.846 5.322 -2.281 1.00 64.42 H new ATOM 0 HG12 VAL A 86 4.771 5.148 -4.051 1.00 64.42 H new ATOM 0 HG13 VAL A 86 6.062 6.121 -3.306 1.00 64.42 H new ATOM 0 HG21 VAL A 86 4.219 7.623 -1.223 1.00 71.43 H new ATOM 0 HG22 VAL A 86 5.416 8.448 -2.250 1.00 71.43 H new ATOM 0 HG23 VAL A 86 3.709 8.948 -2.296 1.00 71.43 H new ATOM 1252 N HIS A 87 4.411 6.127 -6.421 1.00 44.04 N ATOM 1253 CA HIS A 87 3.787 5.232 -7.372 1.00 41.23 C ATOM 1254 C HIS A 87 3.607 3.951 -6.634 1.00 52.52 C ATOM 1255 O HIS A 87 4.566 3.350 -6.191 1.00 34.45 O ATOM 1256 CB HIS A 87 4.636 4.946 -8.633 1.00 2.12 C ATOM 1257 CG HIS A 87 4.586 6.058 -9.652 1.00 23.34 C ATOM 1258 ND1 HIS A 87 4.972 7.344 -9.376 1.00 1.25 N ATOM 1259 CD2 HIS A 87 4.155 6.039 -10.932 1.00 12.41 C ATOM 1260 CE1 HIS A 87 4.775 8.075 -10.467 1.00 2.11 C ATOM 1261 NE2 HIS A 87 4.275 7.303 -11.415 1.00 3.32 N ATOM 0 H HIS A 87 5.424 6.034 -6.344 1.00 44.04 H new ATOM 0 HA HIS A 87 2.866 5.689 -7.734 1.00 41.23 H new ATOM 0 HB2 HIS A 87 5.672 4.782 -8.335 1.00 2.12 H new ATOM 0 HB3 HIS A 87 4.287 4.023 -9.096 1.00 2.12 H new ATOM 0 HD2 HIS A 87 3.784 5.180 -11.471 1.00 12.41 H new ATOM 0 HE1 HIS A 87 4.989 9.129 -10.563 1.00 2.11 H new ATOM 0 HE2 HIS A 87 4.021 7.606 -12.355 1.00 3.32 H new ATOM 1270 N LEU A 88 2.358 3.539 -6.456 1.00 61.12 N ATOM 1271 CA LEU A 88 2.054 2.347 -5.717 1.00 30.31 C ATOM 1272 C LEU A 88 1.412 1.440 -6.691 1.00 43.32 C ATOM 1273 O LEU A 88 0.621 1.878 -7.511 1.00 73.34 O ATOM 1274 CB LEU A 88 1.063 2.601 -4.562 1.00 43.41 C ATOM 1275 CG LEU A 88 1.625 3.569 -3.496 1.00 71.33 C ATOM 1276 CD1 LEU A 88 0.530 4.166 -2.613 1.00 25.21 C ATOM 1277 CD2 LEU A 88 2.784 2.955 -2.680 1.00 24.44 C ATOM 0 H LEU A 88 1.541 4.027 -6.822 1.00 61.12 H new ATOM 0 HA LEU A 88 2.963 1.946 -5.270 1.00 30.31 H new ATOM 0 HB2 LEU A 88 0.137 3.010 -4.966 1.00 43.41 H new ATOM 0 HB3 LEU A 88 0.812 1.652 -4.089 1.00 43.41 H new ATOM 0 HG LEU A 88 2.060 4.404 -4.045 1.00 71.33 H new ATOM 0 HD11 LEU A 88 0.979 4.838 -1.882 1.00 25.21 H new ATOM 0 HD12 LEU A 88 -0.174 4.721 -3.232 1.00 25.21 H new ATOM 0 HD13 LEU A 88 0.004 3.365 -2.094 1.00 25.21 H new ATOM 0 HD21 LEU A 88 3.138 3.681 -1.948 1.00 24.44 H new ATOM 0 HD22 LEU A 88 2.433 2.061 -2.165 1.00 24.44 H new ATOM 0 HD23 LEU A 88 3.601 2.689 -3.351 1.00 24.44 H new ATOM 1289 N LEU A 89 1.774 0.164 -6.651 1.00 55.11 N ATOM 1290 CA LEU A 89 1.246 -0.782 -7.594 1.00 60.10 C ATOM 1291 C LEU A 89 0.417 -1.718 -6.789 1.00 42.23 C ATOM 1292 O LEU A 89 0.884 -2.237 -5.757 1.00 63.13 O ATOM 1293 CB LEU A 89 2.361 -1.573 -8.311 1.00 65.24 C ATOM 1294 CG LEU A 89 1.927 -2.347 -9.572 1.00 1.30 C ATOM 1295 CD1 LEU A 89 1.251 -1.446 -10.614 1.00 13.43 C ATOM 1296 CD2 LEU A 89 3.098 -3.114 -10.189 1.00 72.34 C ATOM 0 H LEU A 89 2.429 -0.227 -5.974 1.00 55.11 H new ATOM 0 HA LEU A 89 0.681 -0.269 -8.372 1.00 60.10 H new ATOM 0 HB2 LEU A 89 3.153 -0.878 -8.589 1.00 65.24 H new ATOM 0 HB3 LEU A 89 2.792 -2.281 -7.603 1.00 65.24 H new ATOM 0 HG LEU A 89 1.180 -3.071 -9.246 1.00 1.30 H new ATOM 0 HD11 LEU A 89 0.966 -2.042 -11.481 1.00 13.43 H new ATOM 0 HD12 LEU A 89 0.362 -0.990 -10.179 1.00 13.43 H new ATOM 0 HD13 LEU A 89 1.945 -0.664 -10.924 1.00 13.43 H new ATOM 0 HD21 LEU A 89 2.756 -3.648 -11.076 1.00 72.34 H new ATOM 0 HD22 LEU A 89 3.885 -2.414 -10.468 1.00 72.34 H new ATOM 0 HD23 LEU A 89 3.488 -3.828 -9.463 1.00 72.34 H new ATOM 1308 N LEU A 90 -0.843 -1.922 -7.194 1.00 21.41 N ATOM 1309 CA LEU A 90 -1.757 -2.690 -6.398 1.00 62.23 C ATOM 1310 C LEU A 90 -2.401 -3.673 -7.312 1.00 42.30 C ATOM 1311 O LEU A 90 -2.455 -3.468 -8.526 1.00 41.03 O ATOM 1312 CB LEU A 90 -2.874 -1.859 -5.725 1.00 21.01 C ATOM 1313 CG LEU A 90 -2.358 -0.833 -4.685 1.00 25.30 C ATOM 1314 CD1 LEU A 90 -2.002 0.535 -5.301 1.00 61.54 C ATOM 1315 CD2 LEU A 90 -3.307 -0.704 -3.488 1.00 61.21 C ATOM 0 H LEU A 90 -1.233 -1.561 -8.065 1.00 21.41 H new ATOM 0 HA LEU A 90 -1.186 -3.145 -5.589 1.00 62.23 H new ATOM 0 HB2 LEU A 90 -3.433 -1.329 -6.496 1.00 21.01 H new ATOM 0 HB3 LEU A 90 -3.572 -2.538 -5.235 1.00 21.01 H new ATOM 0 HG LEU A 90 -1.418 -1.236 -4.307 1.00 25.30 H new ATOM 0 HD11 LEU A 90 -1.648 1.205 -4.518 1.00 61.54 H new ATOM 0 HD12 LEU A 90 -1.220 0.405 -6.049 1.00 61.54 H new ATOM 0 HD13 LEU A 90 -2.887 0.963 -5.772 1.00 61.54 H new ATOM 0 HD21 LEU A 90 -2.907 0.025 -2.784 1.00 61.21 H new ATOM 0 HD22 LEU A 90 -4.287 -0.375 -3.834 1.00 61.21 H new ATOM 0 HD23 LEU A 90 -3.403 -1.671 -2.994 1.00 61.21 H new ATOM 1327 N GLU A 91 -2.862 -4.801 -6.749 1.00 5.45 N ATOM 1328 CA GLU A 91 -3.516 -5.808 -7.536 1.00 22.04 C ATOM 1329 C GLU A 91 -4.744 -6.143 -6.788 1.00 52.22 C ATOM 1330 O GLU A 91 -4.715 -6.300 -5.570 1.00 35.10 O ATOM 1331 CB GLU A 91 -2.691 -7.112 -7.696 1.00 32.25 C ATOM 1332 CG GLU A 91 -3.354 -8.172 -8.607 1.00 60.01 C ATOM 1333 CD GLU A 91 -2.452 -9.385 -8.671 1.00 22.13 C ATOM 1334 OE1 GLU A 91 -1.425 -9.407 -7.968 1.00 53.20 O ATOM 1335 OE2 GLU A 91 -2.779 -10.332 -9.406 1.00 4.14 O ATOM 0 H GLU A 91 -2.785 -5.020 -5.756 1.00 5.45 H new ATOM 0 HA GLU A 91 -3.680 -5.421 -8.542 1.00 22.04 H new ATOM 0 HB2 GLU A 91 -1.711 -6.861 -8.102 1.00 32.25 H new ATOM 0 HB3 GLU A 91 -2.526 -7.548 -6.711 1.00 32.25 H new ATOM 0 HG2 GLU A 91 -4.333 -8.449 -8.215 1.00 60.01 H new ATOM 0 HG3 GLU A 91 -3.514 -7.766 -9.606 1.00 60.01 H new ATOM 1342 N LYS A 92 -5.861 -6.254 -7.498 1.00 74.33 N ATOM 1343 CA LYS A 92 -7.122 -6.524 -6.862 1.00 32.34 C ATOM 1344 C LYS A 92 -7.220 -7.968 -6.450 1.00 72.10 C ATOM 1345 O LYS A 92 -6.535 -8.846 -6.962 1.00 45.42 O ATOM 1346 CB LYS A 92 -8.375 -6.110 -7.650 1.00 42.33 C ATOM 1347 CG LYS A 92 -8.599 -4.599 -7.671 1.00 34.23 C ATOM 1348 CD LYS A 92 -8.722 -4.002 -6.258 1.00 62.52 C ATOM 1349 CE LYS A 92 -9.076 -2.505 -6.252 1.00 1.41 C ATOM 1350 NZ LYS A 92 -9.056 -1.928 -4.894 1.00 61.44 N ATOM 0 H LYS A 92 -5.908 -6.159 -8.513 1.00 74.33 H new ATOM 0 HA LYS A 92 -7.118 -5.877 -5.985 1.00 32.34 H new ATOM 0 HB2 LYS A 92 -8.289 -6.473 -8.674 1.00 42.33 H new ATOM 0 HB3 LYS A 92 -9.248 -6.594 -7.213 1.00 42.33 H new ATOM 0 HG2 LYS A 92 -7.771 -4.119 -8.194 1.00 34.23 H new ATOM 0 HG3 LYS A 92 -9.504 -4.377 -8.236 1.00 34.23 H new ATOM 0 HD2 LYS A 92 -9.486 -4.550 -5.706 1.00 62.52 H new ATOM 0 HD3 LYS A 92 -7.781 -4.147 -5.728 1.00 62.52 H new ATOM 0 HE2 LYS A 92 -8.371 -1.965 -6.884 1.00 1.41 H new ATOM 0 HE3 LYS A 92 -10.065 -2.367 -6.688 1.00 1.41 H new ATOM 0 HZ1 LYS A 92 -9.678 -1.095 -4.861 1.00 61.44 H new ATOM 0 HZ2 LYS A 92 -9.391 -2.637 -4.211 1.00 61.44 H new ATOM 0 HZ3 LYS A 92 -8.085 -1.645 -4.652 1.00 61.44 H new ATOM 1364 N GLY A 93 -8.024 -8.163 -5.427 1.00 33.20 N ATOM 1365 CA GLY A 93 -8.211 -9.444 -4.794 1.00 24.40 C ATOM 1366 C GLY A 93 -8.062 -9.184 -3.357 1.00 2.43 C ATOM 1367 O GLY A 93 -7.309 -9.848 -2.670 1.00 0.24 O ATOM 0 H GLY A 93 -8.577 -7.417 -5.005 1.00 33.20 H new ATOM 0 HA2 GLY A 93 -9.194 -9.856 -5.020 1.00 24.40 H new ATOM 0 HA3 GLY A 93 -7.474 -10.168 -5.143 1.00 24.40 H new ATOM 1371 N GLN A 94 -8.757 -8.153 -2.888 1.00 11.31 N ATOM 1372 CA GLN A 94 -8.650 -7.751 -1.519 1.00 30.43 C ATOM 1373 C GLN A 94 -9.937 -8.086 -0.865 1.00 21.24 C ATOM 1374 O GLN A 94 -10.935 -8.403 -1.532 1.00 60.22 O ATOM 1375 CB GLN A 94 -8.329 -6.234 -1.324 1.00 44.21 C ATOM 1376 CG GLN A 94 -9.140 -5.261 -2.213 1.00 31.34 C ATOM 1377 CD GLN A 94 -10.556 -5.145 -1.683 1.00 62.31 C ATOM 1378 OE1 GLN A 94 -10.766 -4.751 -0.545 1.00 42.43 O ATOM 1379 NE2 GLN A 94 -11.545 -5.488 -2.512 1.00 73.32 N ATOM 0 H GLN A 94 -9.397 -7.590 -3.448 1.00 11.31 H new ATOM 0 HA GLN A 94 -7.808 -8.280 -1.073 1.00 30.43 H new ATOM 0 HB2 GLN A 94 -8.503 -5.975 -0.280 1.00 44.21 H new ATOM 0 HB3 GLN A 94 -7.268 -6.077 -1.518 1.00 44.21 H new ATOM 0 HG2 GLN A 94 -8.664 -4.280 -2.224 1.00 31.34 H new ATOM 0 HG3 GLN A 94 -9.155 -5.620 -3.242 1.00 31.34 H new ATOM 0 HE21 GLN A 94 -11.331 -5.812 -3.455 1.00 73.32 H new ATOM 0 HE22 GLN A 94 -12.515 -5.425 -2.202 1.00 73.32 H new ATOM 1388 N SER A 95 -9.938 -8.039 0.454 1.00 45.41 N ATOM 1389 CA SER A 95 -11.127 -8.208 1.225 1.00 24.43 C ATOM 1390 C SER A 95 -11.345 -6.865 1.877 1.00 53.45 C ATOM 1391 O SER A 95 -10.368 -6.203 2.289 1.00 31.02 O ATOM 1392 CB SER A 95 -10.948 -9.242 2.358 1.00 54.20 C ATOM 1393 OG SER A 95 -10.504 -10.488 1.819 1.00 52.12 O ATOM 0 H SER A 95 -9.100 -7.880 1.013 1.00 45.41 H new ATOM 0 HA SER A 95 -11.944 -8.552 0.590 1.00 24.43 H new ATOM 0 HB2 SER A 95 -10.225 -8.874 3.086 1.00 54.20 H new ATOM 0 HB3 SER A 95 -11.891 -9.381 2.887 1.00 54.20 H new ATOM 0 HG SER A 95 -10.392 -11.137 2.545 1.00 52.12 H new ATOM 1399 N PRO A 96 -12.617 -6.438 1.985 1.00 70.25 N ATOM 1400 CA PRO A 96 -12.970 -5.205 2.667 1.00 60.34 C ATOM 1401 C PRO A 96 -12.622 -5.386 4.119 1.00 2.13 C ATOM 1402 O PRO A 96 -13.189 -6.280 4.766 1.00 35.24 O ATOM 1403 CB PRO A 96 -14.482 -5.043 2.442 1.00 64.43 C ATOM 1404 CG PRO A 96 -14.989 -6.471 2.136 1.00 44.34 C ATOM 1405 CD PRO A 96 -13.789 -7.151 1.463 1.00 20.55 C ATOM 0 HA PRO A 96 -12.447 -4.318 2.308 1.00 60.34 H new ATOM 0 HB2 PRO A 96 -14.971 -4.630 3.324 1.00 64.43 H new ATOM 0 HB3 PRO A 96 -14.689 -4.364 1.615 1.00 64.43 H new ATOM 0 HG2 PRO A 96 -15.286 -6.993 3.046 1.00 44.34 H new ATOM 0 HG3 PRO A 96 -15.859 -6.454 1.479 1.00 44.34 H new ATOM 0 HD2 PRO A 96 -13.748 -8.213 1.706 1.00 20.55 H new ATOM 0 HD3 PRO A 96 -13.848 -7.075 0.377 1.00 20.55 H new ATOM 1413 N THR A 97 -11.673 -4.612 4.616 1.00 25.20 N ATOM 1414 CA THR A 97 -11.176 -4.785 5.932 1.00 12.14 C ATOM 1415 C THR A 97 -11.569 -3.501 6.673 1.00 1.24 C ATOM 1416 O THR A 97 -11.600 -2.424 6.023 1.00 73.44 O ATOM 1417 CB THR A 97 -9.666 -4.909 5.906 1.00 62.22 C ATOM 1418 OG1 THR A 97 -9.298 -5.940 4.977 1.00 42.31 O ATOM 1419 CG2 THR A 97 -9.144 -5.263 7.313 1.00 53.21 C ATOM 0 H THR A 97 -11.236 -3.848 4.100 1.00 25.20 H new ATOM 0 HA THR A 97 -11.574 -5.682 6.405 1.00 12.14 H new ATOM 0 HB THR A 97 -9.226 -3.961 5.597 1.00 62.22 H new ATOM 0 HG1 THR A 97 -9.666 -5.731 4.093 1.00 42.31 H new ATOM 0 HG21 THR A 97 -8.058 -5.351 7.287 1.00 53.21 H new ATOM 0 HG22 THR A 97 -9.428 -4.479 8.014 1.00 53.21 H new ATOM 0 HG23 THR A 97 -9.577 -6.211 7.634 1.00 53.21 H new TER 1427 THR A 97 HETATM 1428 C1 33B A 101 2.000 1.871 9.650 1.00 55.41 C HETATM 1429 C2 33B A 101 2.864 1.746 10.888 1.00 54.22 C HETATM 1430 O2 33B A 101 3.240 0.632 11.268 1.00 22.05 O HETATM 1431 N3 33B A 101 3.188 2.928 11.512 1.00 13.21 N HETATM 1432 C4 33B A 101 4.007 3.070 12.795 1.00 12.24 C HETATM 1433 C5 33B A 101 4.479 1.924 13.512 1.00 34.32 C HETATM 1434 C6 33B A 101 4.342 4.400 13.337 1.00 54.52 C HETATM 1435 S6 33B A 101 3.863 5.973 12.558 1.00 4.23 S HETATM 1436 C7 33B A 101 5.227 2.059 14.672 1.00 64.50 C HETATM 1437 C8 33B A 101 5.105 4.467 14.528 1.00 61.15 C HETATM 1438 C9 33B A 101 5.543 3.315 15.190 1.00 1.33 C HETATM 1439 N10 33B A 101 6.413 3.417 16.418 1.00 31.40 N HETATM 1440 N11 33B A 101 7.679 3.294 16.379 1.00 64.51 N HETATM 1441 C12 33B A 101 8.448 3.059 15.100 1.00 23.40 C HETATM 1442 C13 33B A 101 8.423 4.015 14.084 1.00 15.53 C HETATM 1443 C14 33B A 101 9.155 1.875 14.913 1.00 13.10 C HETATM 1444 C15 33B A 101 9.082 3.812 12.885 1.00 12.41 C HETATM 1445 C16 33B A 101 9.874 1.614 13.721 1.00 32.43 C HETATM 1446 C17 33B A 101 9.836 2.624 12.640 1.00 74.31 C HETATM 1447 S17 33B A 101 10.764 0.058 13.606 1.00 73.20 S HETATM 1448 N18 33B A 101 10.604 2.420 11.306 1.00 10.42 N HETATM 1449 C19 33B A 101 10.597 3.311 10.244 1.00 22.03 C HETATM 1450 O19 33B A 101 9.842 4.259 10.175 1.00 72.33 O HETATM 1451 C20 33B A 101 11.608 3.075 9.125 1.00 45.15 C HETATM 1452 O61 33B A 101 3.008 5.629 11.447 1.00 60.30 O HETATM 1453 O62 33B A 101 3.187 6.660 13.654 1.00 20.33 O HETATM 1454 O63 33B A 101 5.129 6.547 12.200 1.00 51.33 O HETATM 1455 O71 33B A 101 11.237 -0.146 14.961 1.00 23.42 O HETATM 1456 O72 33B A 101 9.726 -0.862 13.189 1.00 11.13 O HETATM 1457 O73 33B A 101 11.795 0.305 12.636 1.00 4.24 O HETATM 0 HO72 33B A 101 10.105 -1.760 13.092 1.00 11.13 H new HETATM 0 HO62 33B A 101 2.878 7.539 13.349 1.00 20.33 H new HETATM 0 HN18 33B A 101 11.154 1.567 11.204 1.00 10.42 H new HETATM 0 HN3 33B A 101 2.851 3.788 11.079 1.00 13.21 H new HETATM 0 H8 33B A 101 5.358 5.444 14.941 1.00 61.15 H new HETATM 0 H7 33B A 101 5.575 1.165 15.190 1.00 64.50 H new HETATM 0 H5 33B A 101 4.246 0.927 13.139 1.00 34.32 H new HETATM 0 H15 33B A 101 9.025 4.576 12.110 1.00 12.41 H new HETATM 0 H14 33B A 101 9.155 1.127 15.706 1.00 13.10 H new HETATM 0 H13 33B A 101 7.872 4.943 14.239 1.00 15.53 H new