USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 755 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 96 HIS : no HD1:sc= -1.36 X(o=-1.4,f=-1.1) USER MOD Set 1.2: A 97 HIS : no HD1:sc= -0.051 X(o=-1.4,f=-1.1) USER MOD Set 2.1: A 10 TYR OH : rot -7:sc=-0.00457 USER MOD Set 2.2: A 45 HIS :FLIP no HE2:sc= 0.167 F(o=-1.2,f=0.16) USER MOD Single : A 1 GLU N :NH3+ -171:sc=-0.00644 (180deg=-0.14) USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.394 USER MOD Single : A 14 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 16 HIS : no HD1:sc= -0.171 X(o=-0.17,f=-0.0022) USER MOD Single : A 18 LYS NZ :NH3+ -179:sc= 1.22 (180deg=1.22) USER MOD Single : A 19 HIS : no HD1:sc= -0.0274 X(o=-0.027,f=0.003) USER MOD Single : A 21 ASN : amide:sc= -0.37 K(o=-0.37,f=-2.2!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 92:sc= 0.379 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot -25:sc= -1.01 USER MOD Single : A 43 TYR OH : rot 39:sc= -0.121 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 153:sc= -1.02 (180deg=-2.51!) USER MOD Single : A 50 TYR OH : rot 31:sc= 0.0189 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 77:sc= 0.862 USER MOD Single : A 63 TYR OH : rot -140:sc= -0.397 USER MOD Single : A 65 GLN :FLIP amide:sc= -0.0625 F(o=-1.1,f=-0.063) USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.358 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 LYS NZ :NH3+ -171:sc=-0.00956 (180deg=-0.119) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 GLN :FLIP amide:sc= -0.908 F(o=-2!,f=-0.91) USER MOD Single : A 86 LYS NZ :NH3+ -132:sc= 0.719 (180deg=0.0745) USER MOD Single : A 88 LYS NZ :NH3+ 136:sc= 0.771 (180deg=-1.86!) USER MOD Single : A 94 HIS : no HD1:sc= -0.606 X(o=-0.61,f=-0.45) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 98 HIS : no HD1:sc= -0.0635 X(o=-0.063,f=-0.52) USER MOD Single : A 99 HIS : no HE2:sc= -0.188 K(o=-0.19,f=-2) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 2.590 -1.322 -0.977 1.00 21.30 N ATOM 2 CA GLU A 1 3.389 -1.335 -2.232 1.00 0.20 C ATOM 3 C GLU A 1 2.748 -2.221 -3.307 1.00 44.05 C ATOM 4 O GLU A 1 2.899 -3.441 -3.287 1.00 34.43 O ATOM 5 CB GLU A 1 4.815 -1.824 -1.947 1.00 31.01 C ATOM 6 CG GLU A 1 5.591 -0.936 -0.984 1.00 41.52 C ATOM 7 CD GLU A 1 7.014 -1.414 -0.773 1.00 32.04 C ATOM 8 OE1 GLU A 1 7.890 -1.060 -1.588 1.00 54.30 O ATOM 9 OE2 GLU A 1 7.261 -2.149 0.210 1.00 63.44 O ATOM 0 H1 GLU A 1 2.968 -0.599 -0.332 1.00 21.30 H new ATOM 0 H2 GLU A 1 1.598 -1.103 -1.199 1.00 21.30 H new ATOM 0 H3 GLU A 1 2.644 -2.255 -0.521 1.00 21.30 H new ATOM 0 HA GLU A 1 3.418 -0.313 -2.610 1.00 0.20 H new ATOM 0 HB2 GLU A 1 4.767 -2.833 -1.537 1.00 31.01 H new ATOM 0 HB3 GLU A 1 5.362 -1.887 -2.888 1.00 31.01 H new ATOM 0 HG2 GLU A 1 5.607 0.084 -1.368 1.00 41.52 H new ATOM 0 HG3 GLU A 1 5.075 -0.908 -0.025 1.00 41.52 H new ATOM 18 N ASP A 2 2.033 -1.603 -4.242 1.00 42.14 N ATOM 19 CA ASP A 2 1.402 -2.330 -5.344 1.00 14.45 C ATOM 20 C ASP A 2 2.185 -2.131 -6.650 1.00 2.33 C ATOM 21 O ASP A 2 2.712 -1.047 -6.904 1.00 62.11 O ATOM 22 CB ASP A 2 -0.042 -1.851 -5.526 1.00 73.44 C ATOM 23 CG ASP A 2 -0.872 -2.045 -4.273 1.00 15.04 C ATOM 24 OD1 ASP A 2 -0.810 -1.182 -3.372 1.00 64.32 O ATOM 25 OD2 ASP A 2 -1.583 -3.066 -4.173 1.00 41.41 O ATOM 0 H ASP A 2 1.874 -0.596 -4.260 1.00 42.14 H new ATOM 0 HA ASP A 2 1.403 -3.392 -5.100 1.00 14.45 H new ATOM 0 HB2 ASP A 2 -0.041 -0.796 -5.799 1.00 73.44 H new ATOM 0 HB3 ASP A 2 -0.502 -2.394 -6.352 1.00 73.44 H new ATOM 30 N PRO A 3 2.254 -3.162 -7.515 1.00 3.10 N ATOM 31 CA PRO A 3 2.968 -3.069 -8.805 1.00 54.01 C ATOM 32 C PRO A 3 2.405 -1.956 -9.707 1.00 73.15 C ATOM 33 O PRO A 3 3.010 -1.584 -10.712 1.00 21.25 O ATOM 34 CB PRO A 3 2.748 -4.453 -9.443 1.00 74.14 C ATOM 35 CG PRO A 3 1.571 -5.031 -8.725 1.00 72.03 C ATOM 36 CD PRO A 3 1.640 -4.489 -7.324 1.00 32.15 C ATOM 0 HA PRO A 3 4.020 -2.816 -8.670 1.00 54.01 H new ATOM 0 HB2 PRO A 3 2.554 -4.368 -10.512 1.00 74.14 H new ATOM 0 HB3 PRO A 3 3.629 -5.085 -9.328 1.00 74.14 H new ATOM 0 HG2 PRO A 3 0.638 -4.744 -9.210 1.00 72.03 H new ATOM 0 HG3 PRO A 3 1.609 -6.120 -8.725 1.00 72.03 H new ATOM 0 HD2 PRO A 3 0.652 -4.415 -6.870 1.00 32.15 H new ATOM 0 HD3 PRO A 3 2.243 -5.124 -6.674 1.00 32.15 H new ATOM 44 N GLU A 4 1.239 -1.436 -9.334 1.00 71.01 N ATOM 45 CA GLU A 4 0.583 -0.357 -10.076 1.00 43.22 C ATOM 46 C GLU A 4 1.245 1.005 -9.803 1.00 31.43 C ATOM 47 O GLU A 4 1.304 1.862 -10.687 1.00 50.12 O ATOM 48 CB GLU A 4 -0.899 -0.300 -9.691 1.00 20.14 C ATOM 49 CG GLU A 4 -1.600 -1.652 -9.757 1.00 61.44 C ATOM 50 CD GLU A 4 -1.611 -2.253 -11.155 1.00 74.31 C ATOM 51 OE1 GLU A 4 -2.550 -1.959 -11.924 1.00 55.10 O ATOM 52 OE2 GLU A 4 -0.689 -3.029 -11.488 1.00 23.44 O ATOM 0 H GLU A 4 0.722 -1.748 -8.512 1.00 71.01 H new ATOM 0 HA GLU A 4 0.684 -0.568 -11.141 1.00 43.22 H new ATOM 0 HB2 GLU A 4 -0.988 0.097 -8.680 1.00 20.14 H new ATOM 0 HB3 GLU A 4 -1.411 0.398 -10.353 1.00 20.14 H new ATOM 0 HG2 GLU A 4 -1.106 -2.344 -9.075 1.00 61.44 H new ATOM 0 HG3 GLU A 4 -2.627 -1.539 -9.409 1.00 61.44 H new ATOM 59 N ASP A 5 1.742 1.196 -8.578 1.00 24.41 N ATOM 60 CA ASP A 5 2.373 2.463 -8.186 1.00 1.33 C ATOM 61 C ASP A 5 3.611 2.758 -9.053 1.00 71.54 C ATOM 62 O ASP A 5 4.493 1.905 -9.186 1.00 13.34 O ATOM 63 CB ASP A 5 2.776 2.428 -6.706 1.00 2.24 C ATOM 64 CG ASP A 5 1.619 2.072 -5.789 1.00 13.30 C ATOM 65 OD1 ASP A 5 0.542 2.687 -5.916 1.00 0.21 O ATOM 66 OD2 ASP A 5 1.790 1.187 -4.926 1.00 42.34 O ATOM 0 H ASP A 5 1.721 0.492 -7.840 1.00 24.41 H new ATOM 0 HA ASP A 5 1.643 3.258 -8.340 1.00 1.33 H new ATOM 0 HB2 ASP A 5 3.578 1.703 -6.570 1.00 2.24 H new ATOM 0 HB3 ASP A 5 3.174 3.401 -6.420 1.00 2.24 H new ATOM 71 N PRO A 6 3.698 3.975 -9.639 1.00 62.21 N ATOM 72 CA PRO A 6 4.799 4.364 -10.542 1.00 30.22 C ATOM 73 C PRO A 6 6.196 4.013 -9.996 1.00 4.31 C ATOM 74 O PRO A 6 7.001 3.384 -10.686 1.00 21.11 O ATOM 75 CB PRO A 6 4.636 5.893 -10.692 1.00 54.02 C ATOM 76 CG PRO A 6 3.583 6.292 -9.701 1.00 3.00 C ATOM 77 CD PRO A 6 2.734 5.072 -9.475 1.00 72.10 C ATOM 0 HA PRO A 6 4.739 3.823 -11.486 1.00 30.22 H new ATOM 0 HB2 PRO A 6 5.576 6.408 -10.492 1.00 54.02 H new ATOM 0 HB3 PRO A 6 4.338 6.157 -11.707 1.00 54.02 H new ATOM 0 HG2 PRO A 6 4.035 6.630 -8.768 1.00 3.00 H new ATOM 0 HG3 PRO A 6 2.983 7.118 -10.082 1.00 3.00 H new ATOM 0 HD2 PRO A 6 2.283 5.070 -8.483 1.00 72.10 H new ATOM 0 HD3 PRO A 6 1.919 5.006 -10.196 1.00 72.10 H new ATOM 85 N PHE A 7 6.474 4.406 -8.755 1.00 31.43 N ATOM 86 CA PHE A 7 7.778 4.134 -8.138 1.00 31.50 C ATOM 87 C PHE A 7 7.966 2.637 -7.839 1.00 33.43 C ATOM 88 O PHE A 7 9.043 2.088 -8.061 1.00 51.10 O ATOM 89 CB PHE A 7 7.949 4.952 -6.849 1.00 74.24 C ATOM 90 CG PHE A 7 9.276 4.724 -6.163 1.00 74.21 C ATOM 91 CD1 PHE A 7 10.438 5.297 -6.663 1.00 61.14 C ATOM 92 CD2 PHE A 7 9.363 3.930 -5.026 1.00 2.05 C ATOM 93 CE1 PHE A 7 11.656 5.084 -6.046 1.00 3.30 C ATOM 94 CE2 PHE A 7 10.580 3.713 -4.406 1.00 62.30 C ATOM 95 CZ PHE A 7 11.727 4.291 -4.916 1.00 74.53 C ATOM 0 H PHE A 7 5.821 4.911 -8.157 1.00 31.43 H new ATOM 0 HA PHE A 7 8.543 4.433 -8.855 1.00 31.50 H new ATOM 0 HB2 PHE A 7 7.848 6.012 -7.084 1.00 74.24 H new ATOM 0 HB3 PHE A 7 7.144 4.700 -6.159 1.00 74.24 H new ATOM 0 HD1 PHE A 7 10.389 5.917 -7.546 1.00 61.14 H new ATOM 0 HD2 PHE A 7 8.470 3.477 -4.622 1.00 2.05 H new ATOM 0 HE1 PHE A 7 12.551 5.537 -6.446 1.00 3.30 H new ATOM 0 HE2 PHE A 7 10.634 3.092 -3.524 1.00 62.30 H new ATOM 0 HZ PHE A 7 12.678 4.123 -4.432 1.00 74.53 H new ATOM 105 N THR A 8 6.918 1.979 -7.340 1.00 31.25 N ATOM 106 CA THR A 8 6.993 0.546 -7.008 1.00 74.11 C ATOM 107 C THR A 8 7.374 -0.302 -8.236 1.00 22.31 C ATOM 108 O THR A 8 8.350 -1.047 -8.201 1.00 64.04 O ATOM 109 CB THR A 8 5.660 0.017 -6.420 1.00 45.00 C ATOM 110 OG1 THR A 8 5.296 0.771 -5.251 1.00 61.12 O ATOM 111 CG2 THR A 8 5.766 -1.462 -6.050 1.00 4.41 C ATOM 0 H THR A 8 6.011 2.408 -7.156 1.00 31.25 H new ATOM 0 HA THR A 8 7.773 0.451 -6.252 1.00 74.11 H new ATOM 0 HB THR A 8 4.893 0.133 -7.186 1.00 45.00 H new ATOM 0 HG1 THR A 8 4.452 0.428 -4.890 1.00 61.12 H new ATOM 0 HG21 THR A 8 4.815 -1.804 -5.640 1.00 4.41 H new ATOM 0 HG22 THR A 8 6.008 -2.043 -6.940 1.00 4.41 H new ATOM 0 HG23 THR A 8 6.551 -1.595 -5.305 1.00 4.41 H new ATOM 119 N ARG A 9 6.612 -0.176 -9.322 1.00 12.45 N ATOM 120 CA ARG A 9 6.904 -0.911 -10.568 1.00 75.32 C ATOM 121 C ARG A 9 8.287 -0.536 -11.133 1.00 42.13 C ATOM 122 O ARG A 9 8.986 -1.378 -11.699 1.00 62.54 O ATOM 123 CB ARG A 9 5.799 -0.651 -11.601 1.00 42.44 C ATOM 124 CG ARG A 9 5.520 0.828 -11.846 1.00 21.31 C ATOM 125 CD ARG A 9 4.126 1.065 -12.423 1.00 1.34 C ATOM 126 NE ARG A 9 4.007 0.629 -13.814 1.00 41.32 N ATOM 127 CZ ARG A 9 3.418 -0.470 -14.205 1.00 41.34 C ATOM 128 NH1 ARG A 9 2.953 -1.325 -13.350 1.00 20.41 N ATOM 129 NH2 ARG A 9 3.298 -0.706 -15.464 1.00 53.41 N ATOM 0 H ARG A 9 5.789 0.424 -9.372 1.00 12.45 H new ATOM 0 HA ARG A 9 6.927 -1.976 -10.339 1.00 75.32 H new ATOM 0 HB2 ARG A 9 6.079 -1.119 -12.545 1.00 42.44 H new ATOM 0 HB3 ARG A 9 4.881 -1.134 -11.266 1.00 42.44 H new ATOM 0 HG2 ARG A 9 5.621 1.375 -10.909 1.00 21.31 H new ATOM 0 HG3 ARG A 9 6.268 1.228 -12.531 1.00 21.31 H new ATOM 0 HD2 ARG A 9 3.392 0.535 -11.817 1.00 1.34 H new ATOM 0 HD3 ARG A 9 3.886 2.126 -12.358 1.00 1.34 H new ATOM 0 HE ARG A 9 4.414 1.228 -14.533 1.00 41.32 H new ATOM 0 HH11 ARG A 9 3.043 -1.147 -12.350 1.00 20.41 H new ATOM 0 HH12 ARG A 9 2.497 -2.177 -13.677 1.00 20.41 H new ATOM 0 HH21 ARG A 9 3.661 -0.039 -16.145 1.00 53.41 H new ATOM 0 HH22 ARG A 9 2.840 -1.560 -15.781 1.00 53.41 H new ATOM 143 N TYR A 10 8.674 0.727 -10.963 1.00 10.30 N ATOM 144 CA TYR A 10 10.017 1.191 -11.330 1.00 61.02 C ATOM 145 C TYR A 10 11.087 0.426 -10.528 1.00 65.23 C ATOM 146 O TYR A 10 12.090 -0.036 -11.076 1.00 34.22 O ATOM 147 CB TYR A 10 10.118 2.701 -11.062 1.00 34.05 C ATOM 148 CG TYR A 10 11.456 3.330 -11.420 1.00 45.20 C ATOM 149 CD1 TYR A 10 11.685 3.855 -12.689 1.00 74.01 C ATOM 150 CD2 TYR A 10 12.482 3.418 -10.482 1.00 54.34 C ATOM 151 CE1 TYR A 10 12.895 4.441 -13.012 1.00 75.44 C ATOM 152 CE2 TYR A 10 13.691 4.007 -10.798 1.00 63.32 C ATOM 153 CZ TYR A 10 13.891 4.516 -12.063 1.00 24.54 C ATOM 154 OH TYR A 10 15.091 5.113 -12.377 1.00 1.12 O ATOM 0 H TYR A 10 8.075 1.454 -10.571 1.00 10.30 H new ATOM 0 HA TYR A 10 10.191 1.001 -12.389 1.00 61.02 H new ATOM 0 HB2 TYR A 10 9.334 3.208 -11.624 1.00 34.05 H new ATOM 0 HB3 TYR A 10 9.920 2.881 -10.005 1.00 34.05 H new ATOM 0 HD1 TYR A 10 10.904 3.804 -13.434 1.00 74.01 H new ATOM 0 HD2 TYR A 10 12.330 3.019 -9.490 1.00 54.34 H new ATOM 0 HE1 TYR A 10 13.059 4.838 -14.003 1.00 75.44 H new ATOM 0 HE2 TYR A 10 14.475 4.068 -10.058 1.00 63.32 H new ATOM 0 HH TYR A 10 15.109 5.328 -13.333 1.00 1.12 H new ATOM 164 N ALA A 11 10.845 0.284 -9.225 1.00 45.50 N ATOM 165 CA ALA A 11 11.745 -0.455 -8.339 1.00 73.44 C ATOM 166 C ALA A 11 11.784 -1.951 -8.694 1.00 65.41 C ATOM 167 O ALA A 11 12.858 -2.548 -8.779 1.00 31.14 O ATOM 168 CB ALA A 11 11.325 -0.263 -6.884 1.00 60.23 C ATOM 0 H ALA A 11 10.027 0.674 -8.757 1.00 45.50 H new ATOM 0 HA ALA A 11 12.751 -0.057 -8.475 1.00 73.44 H new ATOM 0 HB1 ALA A 11 12.002 -0.817 -6.234 1.00 60.23 H new ATOM 0 HB2 ALA A 11 11.365 0.796 -6.631 1.00 60.23 H new ATOM 0 HB3 ALA A 11 10.308 -0.631 -6.747 1.00 60.23 H new ATOM 174 N LEU A 12 10.610 -2.553 -8.904 1.00 62.32 N ATOM 175 CA LEU A 12 10.517 -3.970 -9.290 1.00 21.13 C ATOM 176 C LEU A 12 11.275 -4.252 -10.595 1.00 24.21 C ATOM 177 O LEU A 12 11.860 -5.324 -10.764 1.00 64.43 O ATOM 178 CB LEU A 12 9.046 -4.410 -9.414 1.00 20.34 C ATOM 179 CG LEU A 12 8.388 -4.907 -8.112 1.00 21.33 C ATOM 180 CD1 LEU A 12 9.096 -6.154 -7.595 1.00 71.44 C ATOM 181 CD2 LEU A 12 8.378 -3.818 -7.043 1.00 42.21 C ATOM 0 H LEU A 12 9.709 -2.084 -8.814 1.00 62.32 H new ATOM 0 HA LEU A 12 10.988 -4.554 -8.499 1.00 21.13 H new ATOM 0 HB2 LEU A 12 8.465 -3.570 -9.796 1.00 20.34 H new ATOM 0 HB3 LEU A 12 8.985 -5.205 -10.157 1.00 20.34 H new ATOM 0 HG LEU A 12 7.353 -5.162 -8.340 1.00 21.33 H new ATOM 0 HD11 LEU A 12 8.617 -6.489 -6.675 1.00 71.44 H new ATOM 0 HD12 LEU A 12 9.036 -6.943 -8.344 1.00 71.44 H new ATOM 0 HD13 LEU A 12 10.142 -5.922 -7.395 1.00 71.44 H new ATOM 0 HD21 LEU A 12 7.907 -4.201 -6.138 1.00 42.21 H new ATOM 0 HD22 LEU A 12 9.402 -3.517 -6.820 1.00 42.21 H new ATOM 0 HD23 LEU A 12 7.818 -2.956 -7.406 1.00 42.21 H new ATOM 193 N ALA A 13 11.264 -3.291 -11.516 1.00 11.30 N ATOM 194 CA ALA A 13 12.067 -3.393 -12.738 1.00 41.35 C ATOM 195 C ALA A 13 13.555 -3.572 -12.396 1.00 52.11 C ATOM 196 O ALA A 13 14.238 -4.432 -12.958 1.00 62.43 O ATOM 197 CB ALA A 13 11.858 -2.164 -13.615 1.00 73.24 C ATOM 0 H ALA A 13 10.712 -2.436 -11.443 1.00 11.30 H new ATOM 0 HA ALA A 13 11.740 -4.271 -13.294 1.00 41.35 H new ATOM 0 HB1 ALA A 13 12.461 -2.255 -14.518 1.00 73.24 H new ATOM 0 HB2 ALA A 13 10.805 -2.086 -13.888 1.00 73.24 H new ATOM 0 HB3 ALA A 13 12.158 -1.271 -13.067 1.00 73.24 H new ATOM 203 N GLN A 14 14.040 -2.771 -11.447 1.00 22.23 N ATOM 204 CA GLN A 14 15.424 -2.874 -10.971 1.00 30.52 C ATOM 205 C GLN A 14 15.667 -4.212 -10.247 1.00 1.22 C ATOM 206 O GLN A 14 16.760 -4.779 -10.317 1.00 15.42 O ATOM 207 CB GLN A 14 15.753 -1.698 -10.039 1.00 0.14 C ATOM 208 CG GLN A 14 15.533 -0.329 -10.677 1.00 4.01 C ATOM 209 CD GLN A 14 15.890 0.816 -9.745 1.00 23.20 C ATOM 210 OE1 GLN A 14 15.060 1.305 -8.986 1.00 41.44 O ATOM 211 NE2 GLN A 14 17.133 1.251 -9.789 1.00 74.54 N ATOM 0 H GLN A 14 13.494 -2.040 -10.990 1.00 22.23 H new ATOM 0 HA GLN A 14 16.083 -2.836 -11.838 1.00 30.52 H new ATOM 0 HB2 GLN A 14 15.138 -1.774 -9.142 1.00 0.14 H new ATOM 0 HB3 GLN A 14 16.792 -1.778 -9.721 1.00 0.14 H new ATOM 0 HG2 GLN A 14 16.133 -0.255 -11.584 1.00 4.01 H new ATOM 0 HG3 GLN A 14 14.489 -0.236 -10.977 1.00 4.01 H new ATOM 0 HE21 GLN A 14 17.800 0.824 -10.431 1.00 74.54 H new ATOM 0 HE22 GLN A 14 17.428 2.015 -9.181 1.00 74.54 H new ATOM 220 N GLU A 15 14.644 -4.711 -9.550 1.00 24.11 N ATOM 221 CA GLU A 15 14.720 -6.030 -8.904 1.00 41.51 C ATOM 222 C GLU A 15 14.923 -7.136 -9.954 1.00 11.32 C ATOM 223 O GLU A 15 15.705 -8.066 -9.753 1.00 33.22 O ATOM 224 CB GLU A 15 13.450 -6.308 -8.083 1.00 10.44 C ATOM 225 CG GLU A 15 13.156 -5.261 -7.009 1.00 74.42 C ATOM 226 CD GLU A 15 14.282 -5.109 -5.995 1.00 32.25 C ATOM 227 OE1 GLU A 15 14.290 -5.848 -4.988 1.00 70.00 O ATOM 228 OE2 GLU A 15 15.163 -4.245 -6.197 1.00 34.33 O ATOM 0 H GLU A 15 13.756 -4.227 -9.417 1.00 24.11 H new ATOM 0 HA GLU A 15 15.576 -6.027 -8.229 1.00 41.51 H new ATOM 0 HB2 GLU A 15 12.598 -6.366 -8.761 1.00 10.44 H new ATOM 0 HB3 GLU A 15 13.545 -7.284 -7.607 1.00 10.44 H new ATOM 0 HG2 GLU A 15 12.975 -4.299 -7.488 1.00 74.42 H new ATOM 0 HG3 GLU A 15 12.239 -5.534 -6.486 1.00 74.42 H new ATOM 235 N HIS A 16 14.219 -7.019 -11.082 1.00 32.14 N ATOM 236 CA HIS A 16 14.413 -7.940 -12.208 1.00 72.34 C ATOM 237 C HIS A 16 15.856 -7.867 -12.738 1.00 73.12 C ATOM 238 O HIS A 16 16.454 -8.890 -13.072 1.00 33.10 O ATOM 239 CB HIS A 16 13.422 -7.642 -13.342 1.00 55.45 C ATOM 240 CG HIS A 16 12.000 -7.986 -13.013 1.00 62.23 C ATOM 241 ND1 HIS A 16 11.576 -9.273 -12.767 1.00 71.00 N ATOM 242 CD2 HIS A 16 10.898 -7.207 -12.903 1.00 13.34 C ATOM 243 CE1 HIS A 16 10.283 -9.271 -12.522 1.00 72.11 C ATOM 244 NE2 HIS A 16 9.846 -8.033 -12.597 1.00 32.43 N ATOM 0 H HIS A 16 13.513 -6.300 -11.241 1.00 32.14 H new ATOM 0 HA HIS A 16 14.227 -8.949 -11.841 1.00 72.34 H new ATOM 0 HB2 HIS A 16 13.480 -6.583 -13.593 1.00 55.45 H new ATOM 0 HB3 HIS A 16 13.724 -8.197 -14.230 1.00 55.45 H new ATOM 0 HD2 HIS A 16 10.855 -6.136 -13.032 1.00 13.34 H new ATOM 0 HE1 HIS A 16 9.682 -10.140 -12.297 1.00 72.11 H new ATOM 0 HE2 HIS A 16 8.881 -7.735 -12.451 1.00 32.43 H new ATOM 253 N LEU A 17 16.407 -6.653 -12.803 1.00 24.54 N ATOM 254 CA LEU A 17 17.801 -6.451 -13.228 1.00 54.13 C ATOM 255 C LEU A 17 18.784 -7.194 -12.306 1.00 15.04 C ATOM 256 O LEU A 17 19.788 -7.741 -12.771 1.00 41.23 O ATOM 257 CB LEU A 17 18.140 -4.953 -13.264 1.00 51.04 C ATOM 258 CG LEU A 17 17.345 -4.124 -14.288 1.00 1.40 C ATOM 259 CD1 LEU A 17 17.715 -2.645 -14.192 1.00 60.41 C ATOM 260 CD2 LEU A 17 17.577 -4.651 -15.705 1.00 33.41 C ATOM 0 H LEU A 17 15.912 -5.793 -12.568 1.00 24.54 H new ATOM 0 HA LEU A 17 17.903 -6.863 -14.232 1.00 54.13 H new ATOM 0 HB2 LEU A 17 17.970 -4.535 -12.272 1.00 51.04 H new ATOM 0 HB3 LEU A 17 19.203 -4.843 -13.478 1.00 51.04 H new ATOM 0 HG LEU A 17 16.284 -4.223 -14.057 1.00 1.40 H new ATOM 0 HD11 LEU A 17 17.141 -2.078 -14.925 1.00 60.41 H new ATOM 0 HD12 LEU A 17 17.489 -2.278 -13.191 1.00 60.41 H new ATOM 0 HD13 LEU A 17 18.780 -2.523 -14.391 1.00 60.41 H new ATOM 0 HD21 LEU A 17 17.006 -4.052 -16.414 1.00 33.41 H new ATOM 0 HD22 LEU A 17 18.638 -4.588 -15.948 1.00 33.41 H new ATOM 0 HD23 LEU A 17 17.253 -5.690 -15.764 1.00 33.41 H new ATOM 272 N LYS A 18 18.488 -7.214 -11.001 1.00 5.11 N ATOM 273 CA LYS A 18 19.287 -7.983 -10.034 1.00 74.52 C ATOM 274 C LYS A 18 19.383 -9.460 -10.442 1.00 33.00 C ATOM 275 O LYS A 18 20.447 -10.075 -10.356 1.00 44.31 O ATOM 276 CB LYS A 18 18.680 -7.893 -8.625 1.00 12.12 C ATOM 277 CG LYS A 18 18.810 -6.524 -7.965 1.00 51.23 C ATOM 278 CD LYS A 18 18.209 -6.532 -6.560 1.00 3.14 C ATOM 279 CE LYS A 18 18.466 -5.228 -5.812 1.00 3.23 C ATOM 280 NZ LYS A 18 17.894 -4.054 -6.520 1.00 4.42 N ATOM 0 H LYS A 18 17.704 -6.709 -10.589 1.00 5.11 H new ATOM 0 HA LYS A 18 20.287 -7.548 -10.027 1.00 74.52 H new ATOM 0 HB2 LYS A 18 17.624 -8.156 -8.681 1.00 12.12 H new ATOM 0 HB3 LYS A 18 19.160 -8.636 -7.988 1.00 12.12 H new ATOM 0 HG2 LYS A 18 19.861 -6.240 -7.913 1.00 51.23 H new ATOM 0 HG3 LYS A 18 18.307 -5.773 -8.575 1.00 51.23 H new ATOM 0 HD2 LYS A 18 17.135 -6.703 -6.628 1.00 3.14 H new ATOM 0 HD3 LYS A 18 18.629 -7.362 -5.992 1.00 3.14 H new ATOM 0 HE2 LYS A 18 18.035 -5.293 -4.813 1.00 3.23 H new ATOM 0 HE3 LYS A 18 19.540 -5.088 -5.688 1.00 3.23 H new ATOM 0 HZ1 LYS A 18 18.107 -3.188 -5.985 1.00 4.42 H new ATOM 0 HZ2 LYS A 18 18.311 -3.985 -7.470 1.00 4.42 H new ATOM 0 HZ3 LYS A 18 16.863 -4.166 -6.601 1.00 4.42 H new ATOM 294 N HIS A 19 18.261 -10.020 -10.896 1.00 30.13 N ATOM 295 CA HIS A 19 18.210 -11.421 -11.336 1.00 55.01 C ATOM 296 C HIS A 19 18.465 -11.537 -12.851 1.00 1.21 C ATOM 297 O HIS A 19 18.157 -12.556 -13.476 1.00 35.44 O ATOM 298 CB HIS A 19 16.854 -12.038 -10.966 1.00 61.12 C ATOM 299 CG HIS A 19 16.535 -11.930 -9.503 1.00 24.21 C ATOM 300 ND1 HIS A 19 17.083 -12.759 -8.549 1.00 33.04 N ATOM 301 CD2 HIS A 19 15.734 -11.071 -8.828 1.00 34.23 C ATOM 302 CE1 HIS A 19 16.637 -12.417 -7.358 1.00 50.12 C ATOM 303 NE2 HIS A 19 15.818 -11.396 -7.497 1.00 73.32 N ATOM 0 H HIS A 19 17.372 -9.526 -10.970 1.00 30.13 H new ATOM 0 HA HIS A 19 18.999 -11.971 -10.824 1.00 55.01 H new ATOM 0 HB2 HIS A 19 16.069 -11.545 -11.540 1.00 61.12 H new ATOM 0 HB3 HIS A 19 16.849 -13.089 -11.256 1.00 61.12 H new ATOM 0 HD2 HIS A 19 15.140 -10.278 -9.257 1.00 34.23 H new ATOM 0 HE1 HIS A 19 16.899 -12.894 -6.425 1.00 50.12 H new ATOM 0 HE2 HIS A 19 15.326 -10.923 -6.739 1.00 73.32 H new ATOM 312 N ASP A 20 19.027 -10.471 -13.424 1.00 41.54 N ATOM 313 CA ASP A 20 19.437 -10.429 -14.834 1.00 71.15 C ATOM 314 C ASP A 20 18.244 -10.532 -15.812 1.00 32.15 C ATOM 315 O ASP A 20 18.432 -10.699 -17.018 1.00 14.33 O ATOM 316 CB ASP A 20 20.478 -11.525 -15.115 1.00 4.33 C ATOM 317 CG ASP A 20 21.169 -11.335 -16.454 1.00 35.02 C ATOM 318 OD1 ASP A 20 21.699 -10.230 -16.699 1.00 12.52 O ATOM 319 OD2 ASP A 20 21.198 -12.287 -17.262 1.00 62.21 O ATOM 0 H ASP A 20 19.213 -9.604 -12.920 1.00 41.54 H new ATOM 0 HA ASP A 20 19.889 -9.452 -15.009 1.00 71.15 H new ATOM 0 HB2 ASP A 20 21.224 -11.526 -14.321 1.00 4.33 H new ATOM 0 HB3 ASP A 20 19.990 -12.500 -15.096 1.00 4.33 H new ATOM 324 N ASN A 21 17.019 -10.401 -15.300 1.00 41.00 N ATOM 325 CA ASN A 21 15.824 -10.400 -16.154 1.00 35.15 C ATOM 326 C ASN A 21 15.666 -9.048 -16.865 1.00 20.12 C ATOM 327 O ASN A 21 14.705 -8.306 -16.632 1.00 14.41 O ATOM 328 CB ASN A 21 14.568 -10.720 -15.335 1.00 3.44 C ATOM 329 CG ASN A 21 14.631 -12.094 -14.698 1.00 13.31 C ATOM 330 OD1 ASN A 21 15.051 -12.247 -13.556 1.00 21.23 O ATOM 331 ND2 ASN A 21 14.230 -13.108 -15.432 1.00 71.44 N ATOM 0 H ASN A 21 16.826 -10.295 -14.304 1.00 41.00 H new ATOM 0 HA ASN A 21 15.949 -11.176 -16.909 1.00 35.15 H new ATOM 0 HB2 ASN A 21 14.443 -9.967 -14.557 1.00 3.44 H new ATOM 0 HB3 ASN A 21 13.691 -10.661 -15.980 1.00 3.44 H new ATOM 0 HD21 ASN A 21 14.263 -14.055 -15.055 1.00 71.44 H new ATOM 0 HD22 ASN A 21 13.886 -12.948 -16.379 1.00 71.44 H new ATOM 338 N ALA A 22 16.625 -8.744 -17.737 1.00 71.22 N ATOM 339 CA ALA A 22 16.675 -7.463 -18.445 1.00 23.54 C ATOM 340 C ALA A 22 15.448 -7.257 -19.336 1.00 3.12 C ATOM 341 O ALA A 22 14.890 -6.167 -19.386 1.00 74.53 O ATOM 342 CB ALA A 22 17.953 -7.370 -19.272 1.00 73.23 C ATOM 0 H ALA A 22 17.389 -9.377 -17.974 1.00 71.22 H new ATOM 0 HA ALA A 22 16.673 -6.670 -17.697 1.00 23.54 H new ATOM 0 HB1 ALA A 22 17.980 -6.414 -19.794 1.00 73.23 H new ATOM 0 HB2 ALA A 22 18.819 -7.449 -18.614 1.00 73.23 H new ATOM 0 HB3 ALA A 22 17.975 -8.181 -20.000 1.00 73.23 H new ATOM 348 N SER A 23 15.028 -8.313 -20.028 1.00 12.04 N ATOM 349 CA SER A 23 13.858 -8.242 -20.918 1.00 1.20 C ATOM 350 C SER A 23 12.576 -7.888 -20.146 1.00 25.10 C ATOM 351 O SER A 23 11.846 -6.970 -20.523 1.00 75.23 O ATOM 352 CB SER A 23 13.665 -9.573 -21.653 1.00 34.04 C ATOM 353 OG SER A 23 12.509 -9.547 -22.475 1.00 32.14 O ATOM 0 H SER A 23 15.475 -9.229 -19.994 1.00 12.04 H new ATOM 0 HA SER A 23 14.048 -7.450 -21.642 1.00 1.20 H new ATOM 0 HB2 SER A 23 14.543 -9.784 -22.264 1.00 34.04 H new ATOM 0 HB3 SER A 23 13.579 -10.382 -20.928 1.00 34.04 H new ATOM 0 HG SER A 23 12.413 -10.409 -22.932 1.00 32.14 H new ATOM 359 N ARG A 24 12.310 -8.611 -19.056 1.00 24.21 N ATOM 360 CA ARG A 24 11.114 -8.359 -18.239 1.00 12.05 C ATOM 361 C ARG A 24 11.156 -6.961 -17.597 1.00 73.45 C ATOM 362 O ARG A 24 10.131 -6.290 -17.484 1.00 30.30 O ATOM 363 CB ARG A 24 10.963 -9.438 -17.157 1.00 51.22 C ATOM 364 CG ARG A 24 10.841 -10.857 -17.710 1.00 1.41 C ATOM 365 CD ARG A 24 9.641 -11.018 -18.644 1.00 15.34 C ATOM 366 NE ARG A 24 9.511 -12.393 -19.126 1.00 63.42 N ATOM 367 CZ ARG A 24 8.552 -12.821 -19.906 1.00 1.22 C ATOM 368 NH1 ARG A 24 7.637 -12.009 -20.325 1.00 35.34 N ATOM 369 NH2 ARG A 24 8.514 -14.066 -20.265 1.00 42.10 N ATOM 0 H ARG A 24 12.900 -9.371 -18.718 1.00 24.21 H new ATOM 0 HA ARG A 24 10.248 -8.399 -18.899 1.00 12.05 H new ATOM 0 HB2 ARG A 24 11.823 -9.392 -16.489 1.00 51.22 H new ATOM 0 HB3 ARG A 24 10.081 -9.216 -16.557 1.00 51.22 H new ATOM 0 HG2 ARG A 24 11.754 -11.114 -18.248 1.00 1.41 H new ATOM 0 HG3 ARG A 24 10.750 -11.560 -16.882 1.00 1.41 H new ATOM 0 HD2 ARG A 24 8.730 -10.729 -18.120 1.00 15.34 H new ATOM 0 HD3 ARG A 24 9.748 -10.343 -19.493 1.00 15.34 H new ATOM 0 HE ARG A 24 10.219 -13.066 -18.833 1.00 63.42 H new ATOM 0 HH11 ARG A 24 7.660 -11.028 -20.048 1.00 35.34 H new ATOM 0 HH12 ARG A 24 6.892 -12.350 -20.933 1.00 35.34 H new ATOM 0 HH21 ARG A 24 9.232 -14.713 -19.939 1.00 42.10 H new ATOM 0 HH22 ARG A 24 7.766 -14.399 -20.873 1.00 42.10 H new ATOM 383 N ALA A 25 12.345 -6.529 -17.176 1.00 13.23 N ATOM 384 CA ALA A 25 12.530 -5.171 -16.646 1.00 13.13 C ATOM 385 C ALA A 25 12.298 -4.117 -17.741 1.00 53.13 C ATOM 386 O ALA A 25 11.613 -3.111 -17.528 1.00 13.52 O ATOM 387 CB ALA A 25 13.928 -5.022 -16.056 1.00 2.23 C ATOM 0 H ALA A 25 13.194 -7.095 -17.190 1.00 13.23 H new ATOM 0 HA ALA A 25 11.795 -5.009 -15.858 1.00 13.13 H new ATOM 0 HB1 ALA A 25 14.053 -4.012 -15.667 1.00 2.23 H new ATOM 0 HB2 ALA A 25 14.060 -5.741 -15.248 1.00 2.23 H new ATOM 0 HB3 ALA A 25 14.672 -5.206 -16.831 1.00 2.23 H new ATOM 393 N LEU A 26 12.869 -4.378 -18.914 1.00 22.11 N ATOM 394 CA LEU A 26 12.725 -3.512 -20.088 1.00 32.55 C ATOM 395 C LEU A 26 11.245 -3.305 -20.435 1.00 23.41 C ATOM 396 O LEU A 26 10.802 -2.182 -20.687 1.00 23.21 O ATOM 397 CB LEU A 26 13.469 -4.143 -21.276 1.00 55.32 C ATOM 398 CG LEU A 26 13.585 -3.276 -22.538 1.00 52.24 C ATOM 399 CD1 LEU A 26 14.401 -2.016 -22.255 1.00 12.43 C ATOM 400 CD2 LEU A 26 14.207 -4.080 -23.678 1.00 61.35 C ATOM 0 H LEU A 26 13.449 -5.200 -19.081 1.00 22.11 H new ATOM 0 HA LEU A 26 13.156 -2.536 -19.865 1.00 32.55 H new ATOM 0 HB2 LEU A 26 14.474 -4.409 -20.949 1.00 55.32 H new ATOM 0 HB3 LEU A 26 12.964 -5.072 -21.543 1.00 55.32 H new ATOM 0 HG LEU A 26 12.584 -2.968 -22.840 1.00 52.24 H new ATOM 0 HD11 LEU A 26 14.471 -1.416 -23.162 1.00 12.43 H new ATOM 0 HD12 LEU A 26 13.913 -1.435 -21.472 1.00 12.43 H new ATOM 0 HD13 LEU A 26 15.402 -2.297 -21.928 1.00 12.43 H new ATOM 0 HD21 LEU A 26 14.283 -3.453 -24.566 1.00 61.35 H new ATOM 0 HD22 LEU A 26 15.201 -4.417 -23.385 1.00 61.35 H new ATOM 0 HD23 LEU A 26 13.581 -4.945 -23.897 1.00 61.35 H new ATOM 412 N ALA A 27 10.488 -4.401 -20.428 1.00 22.12 N ATOM 413 CA ALA A 27 9.046 -4.359 -20.686 1.00 64.32 C ATOM 414 C ALA A 27 8.316 -3.428 -19.702 1.00 50.20 C ATOM 415 O ALA A 27 7.426 -2.668 -20.094 1.00 15.52 O ATOM 416 CB ALA A 27 8.465 -5.767 -20.617 1.00 10.13 C ATOM 0 H ALA A 27 10.851 -5.337 -20.245 1.00 22.12 H new ATOM 0 HA ALA A 27 8.896 -3.955 -21.687 1.00 64.32 H new ATOM 0 HB1 ALA A 27 7.393 -5.728 -20.810 1.00 10.13 H new ATOM 0 HB2 ALA A 27 8.946 -6.396 -21.366 1.00 10.13 H new ATOM 0 HB3 ALA A 27 8.640 -6.185 -19.626 1.00 10.13 H new ATOM 422 N LEU A 28 8.695 -3.493 -18.422 1.00 11.04 N ATOM 423 CA LEU A 28 8.118 -2.609 -17.401 1.00 35.23 C ATOM 424 C LEU A 28 8.419 -1.134 -17.705 1.00 34.41 C ATOM 425 O LEU A 28 7.528 -0.283 -17.628 1.00 10.41 O ATOM 426 CB LEU A 28 8.644 -2.975 -16.004 1.00 5.12 C ATOM 427 CG LEU A 28 8.174 -4.333 -15.458 1.00 24.21 C ATOM 428 CD1 LEU A 28 8.789 -4.604 -14.087 1.00 31.41 C ATOM 429 CD2 LEU A 28 6.647 -4.389 -15.386 1.00 32.44 C ATOM 0 H LEU A 28 9.395 -4.145 -18.068 1.00 11.04 H new ATOM 0 HA LEU A 28 7.037 -2.749 -17.419 1.00 35.23 H new ATOM 0 HB2 LEU A 28 9.734 -2.971 -16.032 1.00 5.12 H new ATOM 0 HB3 LEU A 28 8.340 -2.196 -15.304 1.00 5.12 H new ATOM 0 HG LEU A 28 8.511 -5.111 -16.143 1.00 24.21 H new ATOM 0 HD11 LEU A 28 8.444 -5.570 -13.718 1.00 31.41 H new ATOM 0 HD12 LEU A 28 9.876 -4.615 -14.171 1.00 31.41 H new ATOM 0 HD13 LEU A 28 8.487 -3.821 -13.392 1.00 31.41 H new ATOM 0 HD21 LEU A 28 6.336 -5.359 -14.997 1.00 32.44 H new ATOM 0 HD22 LEU A 28 6.285 -3.600 -14.726 1.00 32.44 H new ATOM 0 HD23 LEU A 28 6.230 -4.248 -16.383 1.00 32.44 H new ATOM 441 N PHE A 29 9.672 -0.833 -18.051 1.00 64.04 N ATOM 442 CA PHE A 29 10.057 0.535 -18.419 1.00 2.41 C ATOM 443 C PHE A 29 9.270 1.028 -19.646 1.00 63.32 C ATOM 444 O PHE A 29 8.762 2.149 -19.658 1.00 33.23 O ATOM 445 CB PHE A 29 11.566 0.633 -18.688 1.00 11.21 C ATOM 446 CG PHE A 29 12.428 0.484 -17.456 1.00 73.53 C ATOM 447 CD1 PHE A 29 12.360 1.417 -16.429 1.00 54.24 C ATOM 448 CD2 PHE A 29 13.312 -0.579 -17.329 1.00 32.14 C ATOM 449 CE1 PHE A 29 13.154 1.291 -15.304 1.00 33.24 C ATOM 450 CE2 PHE A 29 14.106 -0.709 -16.205 1.00 42.41 C ATOM 451 CZ PHE A 29 14.027 0.227 -15.192 1.00 53.53 C ATOM 0 H PHE A 29 10.434 -1.511 -18.085 1.00 64.04 H new ATOM 0 HA PHE A 29 9.812 1.177 -17.573 1.00 2.41 H new ATOM 0 HB2 PHE A 29 11.846 -0.136 -19.408 1.00 11.21 H new ATOM 0 HB3 PHE A 29 11.779 1.596 -19.152 1.00 11.21 H new ATOM 0 HD1 PHE A 29 11.679 2.251 -16.510 1.00 54.24 H new ATOM 0 HD2 PHE A 29 13.380 -1.313 -18.118 1.00 32.14 H new ATOM 0 HE1 PHE A 29 13.091 2.024 -14.513 1.00 33.24 H new ATOM 0 HE2 PHE A 29 14.788 -1.542 -16.119 1.00 42.41 H new ATOM 0 HZ PHE A 29 14.647 0.127 -14.314 1.00 53.53 H new ATOM 461 N GLU A 30 9.159 0.185 -20.673 1.00 33.25 N ATOM 462 CA GLU A 30 8.366 0.523 -21.862 1.00 53.32 C ATOM 463 C GLU A 30 6.898 0.796 -21.494 1.00 52.30 C ATOM 464 O GLU A 30 6.274 1.721 -22.020 1.00 43.15 O ATOM 465 CB GLU A 30 8.438 -0.603 -22.906 1.00 43.21 C ATOM 466 CG GLU A 30 9.803 -0.758 -23.569 1.00 43.22 C ATOM 467 CD GLU A 30 9.793 -1.780 -24.697 1.00 4.33 C ATOM 468 OE1 GLU A 30 8.930 -1.666 -25.597 1.00 43.21 O ATOM 469 OE2 GLU A 30 10.637 -2.702 -24.694 1.00 55.33 O ATOM 0 H GLU A 30 9.604 -0.732 -20.709 1.00 33.25 H new ATOM 0 HA GLU A 30 8.791 1.431 -22.290 1.00 53.32 H new ATOM 0 HB2 GLU A 30 8.171 -1.545 -22.426 1.00 43.21 H new ATOM 0 HB3 GLU A 30 7.691 -0.415 -23.678 1.00 43.21 H new ATOM 0 HG2 GLU A 30 10.124 0.207 -23.961 1.00 43.22 H new ATOM 0 HG3 GLU A 30 10.535 -1.057 -22.819 1.00 43.22 H new ATOM 476 N GLU A 31 6.351 -0.023 -20.600 1.00 33.33 N ATOM 477 CA GLU A 31 4.973 0.147 -20.126 1.00 64.30 C ATOM 478 C GLU A 31 4.821 1.465 -19.342 1.00 45.50 C ATOM 479 O GLU A 31 3.787 2.130 -19.415 1.00 44.34 O ATOM 480 CB GLU A 31 4.567 -1.066 -19.269 1.00 13.14 C ATOM 481 CG GLU A 31 3.099 -1.083 -18.841 1.00 71.11 C ATOM 482 CD GLU A 31 2.674 -2.423 -18.245 1.00 33.04 C ATOM 483 OE1 GLU A 31 3.040 -2.716 -17.089 1.00 3.53 O ATOM 484 OE2 GLU A 31 1.985 -3.195 -18.938 1.00 23.31 O ATOM 0 H GLU A 31 6.841 -0.816 -20.185 1.00 33.33 H new ATOM 0 HA GLU A 31 4.305 0.203 -20.985 1.00 64.30 H new ATOM 0 HB2 GLU A 31 4.779 -1.977 -19.829 1.00 13.14 H new ATOM 0 HB3 GLU A 31 5.192 -1.089 -18.376 1.00 13.14 H new ATOM 0 HG2 GLU A 31 2.929 -0.294 -18.108 1.00 71.11 H new ATOM 0 HG3 GLU A 31 2.471 -0.858 -19.703 1.00 71.11 H new ATOM 491 N LEU A 32 5.870 1.848 -18.613 1.00 44.01 N ATOM 492 CA LEU A 32 5.905 3.138 -17.907 1.00 13.32 C ATOM 493 C LEU A 32 5.824 4.327 -18.881 1.00 11.41 C ATOM 494 O LEU A 32 5.215 5.349 -18.570 1.00 33.25 O ATOM 495 CB LEU A 32 7.185 3.247 -17.063 1.00 24.14 C ATOM 496 CG LEU A 32 7.189 2.444 -15.753 1.00 63.00 C ATOM 497 CD1 LEU A 32 8.577 2.447 -15.115 1.00 10.12 C ATOM 498 CD2 LEU A 32 6.159 3.012 -14.780 1.00 13.13 C ATOM 0 H LEU A 32 6.711 1.284 -18.493 1.00 44.01 H new ATOM 0 HA LEU A 32 5.032 3.177 -17.256 1.00 13.32 H new ATOM 0 HB2 LEU A 32 8.028 2.920 -17.671 1.00 24.14 H new ATOM 0 HB3 LEU A 32 7.353 4.297 -16.825 1.00 24.14 H new ATOM 0 HG LEU A 32 6.923 1.413 -15.986 1.00 63.00 H new ATOM 0 HD11 LEU A 32 8.553 1.872 -14.189 1.00 10.12 H new ATOM 0 HD12 LEU A 32 9.294 1.999 -15.802 1.00 10.12 H new ATOM 0 HD13 LEU A 32 8.875 3.473 -14.897 1.00 10.12 H new ATOM 0 HD21 LEU A 32 6.173 2.433 -13.856 1.00 13.13 H new ATOM 0 HD22 LEU A 32 6.401 4.052 -14.560 1.00 13.13 H new ATOM 0 HD23 LEU A 32 5.167 2.957 -15.228 1.00 13.13 H new ATOM 510 N VAL A 33 6.438 4.187 -20.055 1.00 41.33 N ATOM 511 CA VAL A 33 6.444 5.262 -21.059 1.00 74.32 C ATOM 512 C VAL A 33 5.030 5.579 -21.576 1.00 14.14 C ATOM 513 O VAL A 33 4.599 6.732 -21.568 1.00 25.05 O ATOM 514 CB VAL A 33 7.353 4.907 -22.265 1.00 1.42 C ATOM 515 CG1 VAL A 33 7.332 6.022 -23.315 1.00 45.12 C ATOM 516 CG2 VAL A 33 8.780 4.626 -21.799 1.00 41.40 C ATOM 0 H VAL A 33 6.938 3.344 -20.338 1.00 41.33 H new ATOM 0 HA VAL A 33 6.839 6.144 -20.555 1.00 74.32 H new ATOM 0 HB VAL A 33 6.961 4.002 -22.730 1.00 1.42 H new ATOM 0 HG11 VAL A 33 7.977 5.748 -24.150 1.00 45.12 H new ATOM 0 HG12 VAL A 33 6.313 6.163 -23.675 1.00 45.12 H new ATOM 0 HG13 VAL A 33 7.691 6.949 -22.868 1.00 45.12 H new ATOM 0 HG21 VAL A 33 9.402 4.379 -22.660 1.00 41.40 H new ATOM 0 HG22 VAL A 33 9.181 5.510 -21.303 1.00 41.40 H new ATOM 0 HG23 VAL A 33 8.777 3.788 -21.101 1.00 41.40 H new ATOM 526 N GLU A 34 4.312 4.550 -22.022 1.00 20.13 N ATOM 527 CA GLU A 34 2.973 4.738 -22.600 1.00 73.34 C ATOM 528 C GLU A 34 1.944 5.207 -21.553 1.00 34.11 C ATOM 529 O GLU A 34 0.975 5.892 -21.890 1.00 74.53 O ATOM 530 CB GLU A 34 2.491 3.447 -23.283 1.00 23.04 C ATOM 531 CG GLU A 34 2.423 2.233 -22.362 1.00 42.52 C ATOM 532 CD GLU A 34 1.956 0.976 -23.082 1.00 14.32 C ATOM 533 OE1 GLU A 34 2.783 0.328 -23.755 1.00 51.23 O ATOM 534 OE2 GLU A 34 0.759 0.636 -22.990 1.00 41.24 O ATOM 0 H GLU A 34 4.628 3.581 -21.997 1.00 20.13 H new ATOM 0 HA GLU A 34 3.057 5.527 -23.348 1.00 73.34 H new ATOM 0 HB2 GLU A 34 1.502 3.622 -23.706 1.00 23.04 H new ATOM 0 HB3 GLU A 34 3.158 3.220 -24.115 1.00 23.04 H new ATOM 0 HG2 GLU A 34 3.407 2.055 -21.929 1.00 42.52 H new ATOM 0 HG3 GLU A 34 1.745 2.446 -21.535 1.00 42.52 H new ATOM 541 N THR A 35 2.152 4.842 -20.287 1.00 52.12 N ATOM 542 CA THR A 35 1.247 5.259 -19.203 1.00 52.35 C ATOM 543 C THR A 35 1.625 6.638 -18.646 1.00 74.11 C ATOM 544 O THR A 35 0.795 7.551 -18.598 1.00 73.42 O ATOM 545 CB THR A 35 1.241 4.246 -18.034 1.00 10.54 C ATOM 546 OG1 THR A 35 2.550 4.154 -17.448 1.00 64.30 O ATOM 547 CG2 THR A 35 0.791 2.866 -18.506 1.00 21.25 C ATOM 0 H THR A 35 2.934 4.261 -19.983 1.00 52.12 H new ATOM 0 HA THR A 35 0.252 5.305 -19.647 1.00 52.35 H new ATOM 0 HB THR A 35 0.534 4.603 -17.285 1.00 10.54 H new ATOM 0 HG1 THR A 35 2.620 4.787 -16.703 1.00 64.30 H new ATOM 0 HG21 THR A 35 0.796 2.174 -17.664 1.00 21.25 H new ATOM 0 HG22 THR A 35 -0.217 2.932 -18.915 1.00 21.25 H new ATOM 0 HG23 THR A 35 1.472 2.505 -19.277 1.00 21.25 H new ATOM 555 N ASP A 36 2.883 6.787 -18.235 1.00 44.02 N ATOM 556 CA ASP A 36 3.378 8.042 -17.652 1.00 51.20 C ATOM 557 C ASP A 36 4.491 8.671 -18.516 1.00 14.11 C ATOM 558 O ASP A 36 5.680 8.484 -18.241 1.00 44.51 O ATOM 559 CB ASP A 36 3.907 7.794 -16.229 1.00 54.03 C ATOM 560 CG ASP A 36 2.825 7.323 -15.271 1.00 75.10 C ATOM 561 OD1 ASP A 36 2.498 6.115 -15.276 1.00 73.31 O ATOM 562 OD2 ASP A 36 2.307 8.154 -14.492 1.00 51.32 O ATOM 0 H ASP A 36 3.586 6.050 -18.294 1.00 44.02 H new ATOM 0 HA ASP A 36 2.541 8.740 -17.616 1.00 51.20 H new ATOM 0 HB2 ASP A 36 4.702 7.049 -16.267 1.00 54.03 H new ATOM 0 HB3 ASP A 36 4.350 8.713 -15.846 1.00 54.03 H new ATOM 567 N PRO A 37 4.128 9.441 -19.567 1.00 24.01 N ATOM 568 CA PRO A 37 5.119 10.076 -20.454 1.00 34.32 C ATOM 569 C PRO A 37 5.854 11.246 -19.777 1.00 14.11 C ATOM 570 O PRO A 37 6.820 11.783 -20.316 1.00 11.13 O ATOM 571 CB PRO A 37 4.269 10.555 -21.641 1.00 24.34 C ATOM 572 CG PRO A 37 2.918 10.796 -21.055 1.00 3.11 C ATOM 573 CD PRO A 37 2.743 9.750 -19.978 1.00 53.31 C ATOM 0 HA PRO A 37 5.917 9.392 -20.741 1.00 34.32 H new ATOM 0 HB2 PRO A 37 4.679 11.463 -22.082 1.00 24.34 H new ATOM 0 HB3 PRO A 37 4.232 9.805 -22.431 1.00 24.34 H new ATOM 0 HG2 PRO A 37 2.846 11.801 -20.639 1.00 3.11 H new ATOM 0 HG3 PRO A 37 2.141 10.709 -21.815 1.00 3.11 H new ATOM 0 HD2 PRO A 37 2.152 10.128 -19.144 1.00 53.31 H new ATOM 0 HD3 PRO A 37 2.230 8.866 -20.357 1.00 53.31 H new ATOM 581 N ASP A 38 5.382 11.625 -18.590 1.00 71.21 N ATOM 582 CA ASP A 38 6.018 12.668 -17.779 1.00 5.15 C ATOM 583 C ASP A 38 7.308 12.159 -17.114 1.00 30.12 C ATOM 584 O ASP A 38 8.296 12.890 -17.001 1.00 41.14 O ATOM 585 CB ASP A 38 5.029 13.146 -16.702 1.00 14.12 C ATOM 586 CG ASP A 38 5.705 13.916 -15.573 1.00 23.15 C ATOM 587 OD1 ASP A 38 5.857 15.148 -15.686 1.00 22.53 O ATOM 588 OD2 ASP A 38 6.086 13.286 -14.563 1.00 5.41 O ATOM 0 H ASP A 38 4.549 11.220 -18.162 1.00 71.21 H new ATOM 0 HA ASP A 38 6.287 13.496 -18.435 1.00 5.15 H new ATOM 0 HB2 ASP A 38 4.274 13.780 -17.166 1.00 14.12 H new ATOM 0 HB3 ASP A 38 4.509 12.283 -16.286 1.00 14.12 H new ATOM 593 N TYR A 39 7.292 10.898 -16.688 1.00 1.15 N ATOM 594 CA TYR A 39 8.369 10.346 -15.862 1.00 5.20 C ATOM 595 C TYR A 39 9.672 10.183 -16.667 1.00 42.10 C ATOM 596 O TYR A 39 9.966 9.111 -17.204 1.00 54.40 O ATOM 597 CB TYR A 39 7.922 9.008 -15.245 1.00 42.13 C ATOM 598 CG TYR A 39 8.606 8.670 -13.930 1.00 72.33 C ATOM 599 CD1 TYR A 39 8.648 9.599 -12.894 1.00 41.23 C ATOM 600 CD2 TYR A 39 9.188 7.425 -13.714 1.00 24.24 C ATOM 601 CE1 TYR A 39 9.251 9.299 -11.688 1.00 5.31 C ATOM 602 CE2 TYR A 39 9.795 7.118 -12.511 1.00 34.45 C ATOM 603 CZ TYR A 39 9.823 8.057 -11.501 1.00 12.05 C ATOM 604 OH TYR A 39 10.423 7.754 -10.298 1.00 14.10 O ATOM 0 H TYR A 39 6.545 10.237 -16.900 1.00 1.15 H new ATOM 0 HA TYR A 39 8.580 11.049 -15.056 1.00 5.20 H new ATOM 0 HB2 TYR A 39 6.844 9.037 -15.084 1.00 42.13 H new ATOM 0 HB3 TYR A 39 8.117 8.208 -15.959 1.00 42.13 H new ATOM 0 HD1 TYR A 39 8.201 10.572 -13.036 1.00 41.23 H new ATOM 0 HD2 TYR A 39 9.165 6.685 -14.500 1.00 24.24 H new ATOM 0 HE1 TYR A 39 9.275 10.032 -10.896 1.00 5.31 H new ATOM 0 HE2 TYR A 39 10.245 6.148 -12.362 1.00 34.45 H new ATOM 0 HH TYR A 39 10.775 6.840 -10.329 1.00 14.10 H new ATOM 614 N VAL A 40 10.441 11.273 -16.755 1.00 14.34 N ATOM 615 CA VAL A 40 11.714 11.289 -17.492 1.00 63.01 C ATOM 616 C VAL A 40 12.689 10.218 -16.970 1.00 0.31 C ATOM 617 O VAL A 40 13.484 9.661 -17.734 1.00 31.15 O ATOM 618 CB VAL A 40 12.392 12.685 -17.414 1.00 72.14 C ATOM 619 CG1 VAL A 40 13.690 12.717 -18.225 1.00 22.31 C ATOM 620 CG2 VAL A 40 11.432 13.780 -17.884 1.00 30.11 C ATOM 0 H VAL A 40 10.203 12.165 -16.321 1.00 14.34 H new ATOM 0 HA VAL A 40 11.475 11.065 -18.532 1.00 63.01 H new ATOM 0 HB VAL A 40 12.646 12.875 -16.371 1.00 72.14 H new ATOM 0 HG11 VAL A 40 14.141 13.707 -18.151 1.00 22.31 H new ATOM 0 HG12 VAL A 40 14.383 11.972 -17.833 1.00 22.31 H new ATOM 0 HG13 VAL A 40 13.472 12.495 -19.270 1.00 22.31 H new ATOM 0 HG21 VAL A 40 11.927 14.749 -17.821 1.00 30.11 H new ATOM 0 HG22 VAL A 40 11.139 13.588 -18.916 1.00 30.11 H new ATOM 0 HG23 VAL A 40 10.546 13.783 -17.250 1.00 30.11 H new ATOM 630 N GLY A 41 12.614 9.932 -15.669 1.00 41.25 N ATOM 631 CA GLY A 41 13.434 8.877 -15.078 1.00 22.32 C ATOM 632 C GLY A 41 13.305 7.545 -15.814 1.00 11.53 C ATOM 633 O GLY A 41 14.281 6.799 -15.946 1.00 1.10 O ATOM 0 H GLY A 41 12.000 10.412 -15.011 1.00 41.25 H new ATOM 0 HA2 GLY A 41 14.478 9.189 -15.082 1.00 22.32 H new ATOM 0 HA3 GLY A 41 13.146 8.740 -14.036 1.00 22.32 H new ATOM 637 N THR A 42 12.099 7.252 -16.301 1.00 21.41 N ATOM 638 CA THR A 42 11.856 6.053 -17.109 1.00 4.31 C ATOM 639 C THR A 42 12.673 6.085 -18.407 1.00 45.21 C ATOM 640 O THR A 42 13.413 5.152 -18.702 1.00 14.31 O ATOM 641 CB THR A 42 10.359 5.903 -17.475 1.00 64.45 C ATOM 642 OG1 THR A 42 9.565 5.793 -16.285 1.00 1.15 O ATOM 643 CG2 THR A 42 10.130 4.681 -18.358 1.00 2.53 C ATOM 0 H THR A 42 11.272 7.829 -16.150 1.00 21.41 H new ATOM 0 HA THR A 42 12.164 5.203 -16.500 1.00 4.31 H new ATOM 0 HB THR A 42 10.059 6.792 -18.029 1.00 64.45 H new ATOM 0 HG1 THR A 42 10.116 5.441 -15.555 1.00 1.15 H new ATOM 0 HG21 THR A 42 9.070 4.600 -18.600 1.00 2.53 H new ATOM 0 HG22 THR A 42 10.705 4.784 -19.278 1.00 2.53 H new ATOM 0 HG23 THR A 42 10.451 3.784 -17.828 1.00 2.53 H new ATOM 651 N TYR A 43 12.546 7.180 -19.162 1.00 5.43 N ATOM 652 CA TYR A 43 13.236 7.330 -20.455 1.00 12.42 C ATOM 653 C TYR A 43 14.751 7.111 -20.326 1.00 50.10 C ATOM 654 O TYR A 43 15.355 6.394 -21.125 1.00 2.44 O ATOM 655 CB TYR A 43 12.980 8.725 -21.040 1.00 52.24 C ATOM 656 CG TYR A 43 11.528 9.003 -21.380 1.00 43.30 C ATOM 657 CD1 TYR A 43 10.633 9.430 -20.405 1.00 51.30 C ATOM 658 CD2 TYR A 43 11.057 8.852 -22.680 1.00 2.30 C ATOM 659 CE1 TYR A 43 9.314 9.696 -20.714 1.00 72.02 C ATOM 660 CE2 TYR A 43 9.740 9.121 -22.997 1.00 30.03 C ATOM 661 CZ TYR A 43 8.872 9.542 -22.011 1.00 33.01 C ATOM 662 OH TYR A 43 7.562 9.819 -22.325 1.00 52.30 O ATOM 0 H TYR A 43 11.970 7.981 -18.902 1.00 5.43 H new ATOM 0 HA TYR A 43 12.833 6.567 -21.121 1.00 12.42 H new ATOM 0 HB2 TYR A 43 13.324 9.474 -20.326 1.00 52.24 H new ATOM 0 HB3 TYR A 43 13.581 8.844 -21.941 1.00 52.24 H new ATOM 0 HD1 TYR A 43 10.976 9.556 -19.389 1.00 51.30 H new ATOM 0 HD2 TYR A 43 11.732 8.519 -23.454 1.00 2.30 H new ATOM 0 HE1 TYR A 43 8.632 10.023 -19.943 1.00 72.02 H new ATOM 0 HE2 TYR A 43 9.391 9.002 -24.012 1.00 30.03 H new ATOM 0 HH TYR A 43 7.267 10.611 -21.829 1.00 52.30 H new ATOM 672 N TYR A 44 15.358 7.736 -19.316 1.00 44.50 N ATOM 673 CA TYR A 44 16.804 7.626 -19.103 1.00 75.30 C ATOM 674 C TYR A 44 17.236 6.168 -18.860 1.00 20.25 C ATOM 675 O TYR A 44 18.051 5.623 -19.600 1.00 71.12 O ATOM 676 CB TYR A 44 17.245 8.512 -17.928 1.00 21.13 C ATOM 677 CG TYR A 44 18.745 8.493 -17.683 1.00 55.42 C ATOM 678 CD1 TYR A 44 19.619 9.168 -18.533 1.00 42.25 C ATOM 679 CD2 TYR A 44 19.287 7.795 -16.608 1.00 10.15 C ATOM 680 CE1 TYR A 44 20.984 9.147 -18.316 1.00 14.02 C ATOM 681 CE2 TYR A 44 20.651 7.770 -16.387 1.00 63.15 C ATOM 682 CZ TYR A 44 21.494 8.448 -17.243 1.00 53.31 C ATOM 683 OH TYR A 44 22.854 8.424 -17.029 1.00 52.23 O ATOM 0 H TYR A 44 14.874 8.321 -18.635 1.00 44.50 H new ATOM 0 HA TYR A 44 17.294 7.971 -20.013 1.00 75.30 H new ATOM 0 HB2 TYR A 44 16.929 9.538 -18.118 1.00 21.13 H new ATOM 0 HB3 TYR A 44 16.733 8.183 -17.024 1.00 21.13 H new ATOM 0 HD1 TYR A 44 19.223 9.716 -19.375 1.00 42.25 H new ATOM 0 HD2 TYR A 44 18.630 7.264 -15.935 1.00 10.15 H new ATOM 0 HE1 TYR A 44 21.648 9.676 -18.984 1.00 14.02 H new ATOM 0 HE2 TYR A 44 21.055 7.222 -15.548 1.00 63.15 H new ATOM 0 HH TYR A 44 23.050 7.889 -16.232 1.00 52.23 H new ATOM 693 N HIS A 45 16.677 5.534 -17.827 1.00 13.11 N ATOM 694 CA HIS A 45 17.058 4.159 -17.471 1.00 72.22 C ATOM 695 C HIS A 45 16.631 3.152 -18.554 1.00 24.31 C ATOM 696 O HIS A 45 17.285 2.128 -18.749 1.00 24.32 O ATOM 697 CB HIS A 45 16.468 3.775 -16.107 1.00 4.10 C ATOM 698 CG HIS A 45 17.036 4.577 -14.970 1.00 30.04 C ATOM 699 ND1 HIS A 45 16.858 5.875 -14.619 1.00 75.43 N flip ATOM 700 CD2 HIS A 45 17.914 4.056 -14.042 1.00 64.32 C flip ATOM 701 CE1 HIS A 45 17.617 6.101 -13.500 1.00 61.32 C flip ATOM 702 NE2 HIS A 45 18.240 4.989 -13.172 1.00 44.10 N flip ATOM 0 H HIS A 45 15.964 5.944 -17.224 1.00 13.11 H new ATOM 0 HA HIS A 45 18.145 4.123 -17.404 1.00 72.22 H new ATOM 0 HB2 HIS A 45 15.387 3.911 -16.135 1.00 4.10 H new ATOM 0 HB3 HIS A 45 16.652 2.716 -15.924 1.00 4.10 H new ATOM 0 HD1 HIS A 45 16.269 6.556 -15.098 1.00 75.43 H new ATOM 0 HD2 HIS A 45 18.278 3.039 -14.031 1.00 64.32 H new ATOM 0 HE1 HIS A 45 17.692 7.040 -12.972 1.00 61.32 H new ATOM 711 N LEU A 46 15.540 3.458 -19.257 1.00 10.25 N ATOM 712 CA LEU A 46 15.095 2.651 -20.402 1.00 35.14 C ATOM 713 C LEU A 46 16.166 2.649 -21.505 1.00 30.20 C ATOM 714 O LEU A 46 16.557 1.594 -22.012 1.00 20.14 O ATOM 715 CB LEU A 46 13.770 3.203 -20.954 1.00 60.02 C ATOM 716 CG LEU A 46 13.203 2.482 -22.188 1.00 52.10 C ATOM 717 CD1 LEU A 46 12.884 1.023 -21.878 1.00 71.24 C ATOM 718 CD2 LEU A 46 11.963 3.202 -22.710 1.00 45.41 C ATOM 0 H LEU A 46 14.944 4.261 -19.055 1.00 10.25 H new ATOM 0 HA LEU A 46 14.939 1.626 -20.066 1.00 35.14 H new ATOM 0 HB2 LEU A 46 13.024 3.164 -20.160 1.00 60.02 H new ATOM 0 HB3 LEU A 46 13.913 4.254 -21.205 1.00 60.02 H new ATOM 0 HG LEU A 46 13.967 2.500 -22.965 1.00 52.10 H new ATOM 0 HD11 LEU A 46 12.485 0.540 -22.770 1.00 71.24 H new ATOM 0 HD12 LEU A 46 13.793 0.510 -21.564 1.00 71.24 H new ATOM 0 HD13 LEU A 46 12.145 0.974 -21.078 1.00 71.24 H new ATOM 0 HD21 LEU A 46 11.577 2.676 -23.583 1.00 45.41 H new ATOM 0 HD22 LEU A 46 11.200 3.222 -21.932 1.00 45.41 H new ATOM 0 HD23 LEU A 46 12.225 4.223 -22.988 1.00 45.41 H new ATOM 730 N GLY A 47 16.646 3.844 -21.854 1.00 42.12 N ATOM 731 CA GLY A 47 17.717 3.971 -22.836 1.00 73.22 C ATOM 732 C GLY A 47 19.005 3.282 -22.396 1.00 1.43 C ATOM 733 O GLY A 47 19.607 2.528 -23.161 1.00 41.21 O ATOM 0 H GLY A 47 16.312 4.729 -21.473 1.00 42.12 H new ATOM 0 HA2 GLY A 47 17.388 3.545 -23.784 1.00 73.22 H new ATOM 0 HA3 GLY A 47 17.918 5.027 -23.014 1.00 73.22 H new ATOM 737 N LYS A 48 19.421 3.531 -21.152 1.00 11.44 N ATOM 738 CA LYS A 48 20.631 2.904 -20.599 1.00 10.33 C ATOM 739 C LYS A 48 20.531 1.370 -20.639 1.00 14.12 C ATOM 740 O LYS A 48 21.524 0.679 -20.882 1.00 2.31 O ATOM 741 CB LYS A 48 20.877 3.372 -19.153 1.00 62.10 C ATOM 742 CG LYS A 48 20.952 4.890 -18.983 1.00 25.42 C ATOM 743 CD LYS A 48 22.073 5.542 -19.800 1.00 72.42 C ATOM 744 CE LYS A 48 23.458 5.311 -19.198 1.00 33.03 C ATOM 745 NZ LYS A 48 23.900 3.894 -19.290 1.00 71.41 N ATOM 0 H LYS A 48 18.942 4.160 -20.508 1.00 11.44 H new ATOM 0 HA LYS A 48 21.472 3.213 -21.220 1.00 10.33 H new ATOM 0 HB2 LYS A 48 20.078 2.987 -18.519 1.00 62.10 H new ATOM 0 HB3 LYS A 48 21.808 2.932 -18.795 1.00 62.10 H new ATOM 0 HG2 LYS A 48 19.998 5.328 -19.276 1.00 25.42 H new ATOM 0 HG3 LYS A 48 21.099 5.123 -17.928 1.00 25.42 H new ATOM 0 HD2 LYS A 48 22.053 5.146 -20.815 1.00 72.42 H new ATOM 0 HD3 LYS A 48 21.888 6.614 -19.872 1.00 72.42 H new ATOM 0 HE2 LYS A 48 24.181 5.946 -19.709 1.00 33.03 H new ATOM 0 HE3 LYS A 48 23.449 5.616 -18.152 1.00 33.03 H new ATOM 0 HZ1 LYS A 48 24.939 3.855 -19.311 1.00 71.41 H new ATOM 0 HZ2 LYS A 48 23.550 3.367 -18.465 1.00 71.41 H new ATOM 0 HZ3 LYS A 48 23.520 3.468 -20.159 1.00 71.41 H new ATOM 759 N LEU A 49 19.332 0.841 -20.399 1.00 33.51 N ATOM 760 CA LEU A 49 19.104 -0.606 -20.473 1.00 54.24 C ATOM 761 C LEU A 49 19.207 -1.103 -21.925 1.00 35.33 C ATOM 762 O LEU A 49 19.727 -2.190 -22.182 1.00 64.40 O ATOM 763 CB LEU A 49 17.740 -0.968 -19.864 1.00 43.14 C ATOM 764 CG LEU A 49 17.404 -2.473 -19.819 1.00 75.21 C ATOM 765 CD1 LEU A 49 18.536 -3.271 -19.177 1.00 30.14 C ATOM 766 CD2 LEU A 49 16.094 -2.707 -19.067 1.00 1.44 C ATOM 0 H LEU A 49 18.506 1.387 -20.153 1.00 33.51 H new ATOM 0 HA LEU A 49 19.880 -1.105 -19.893 1.00 54.24 H new ATOM 0 HB2 LEU A 49 17.701 -0.576 -18.848 1.00 43.14 H new ATOM 0 HB3 LEU A 49 16.962 -0.458 -20.433 1.00 43.14 H new ATOM 0 HG LEU A 49 17.285 -2.821 -20.845 1.00 75.21 H new ATOM 0 HD11 LEU A 49 18.271 -4.328 -19.159 1.00 30.14 H new ATOM 0 HD12 LEU A 49 19.450 -3.136 -19.755 1.00 30.14 H new ATOM 0 HD13 LEU A 49 18.696 -2.920 -18.158 1.00 30.14 H new ATOM 0 HD21 LEU A 49 15.873 -3.774 -19.045 1.00 1.44 H new ATOM 0 HD22 LEU A 49 16.189 -2.335 -18.047 1.00 1.44 H new ATOM 0 HD23 LEU A 49 15.285 -2.179 -19.572 1.00 1.44 H new ATOM 778 N TYR A 50 18.721 -0.299 -22.874 1.00 0.14 N ATOM 779 CA TYR A 50 18.904 -0.603 -24.297 1.00 62.04 C ATOM 780 C TYR A 50 20.398 -0.666 -24.654 1.00 11.44 C ATOM 781 O TYR A 50 20.843 -1.612 -25.304 1.00 4.13 O ATOM 782 CB TYR A 50 18.188 0.426 -25.187 1.00 1.45 C ATOM 783 CG TYR A 50 16.685 0.224 -25.285 1.00 51.40 C ATOM 784 CD1 TYR A 50 16.157 -1.018 -25.625 1.00 31.41 C ATOM 785 CD2 TYR A 50 15.796 1.269 -25.056 1.00 64.21 C ATOM 786 CE1 TYR A 50 14.795 -1.213 -25.732 1.00 52.32 C ATOM 787 CE2 TYR A 50 14.430 1.079 -25.160 1.00 1.23 C ATOM 788 CZ TYR A 50 13.934 -0.164 -25.497 1.00 74.11 C ATOM 789 OH TYR A 50 12.573 -0.361 -25.598 1.00 62.35 O ATOM 0 H TYR A 50 18.203 0.559 -22.687 1.00 0.14 H new ATOM 0 HA TYR A 50 18.458 -1.580 -24.483 1.00 62.04 H new ATOM 0 HB2 TYR A 50 18.385 1.425 -24.799 1.00 1.45 H new ATOM 0 HB3 TYR A 50 18.615 0.383 -26.189 1.00 1.45 H new ATOM 0 HD1 TYR A 50 16.826 -1.845 -25.809 1.00 31.41 H new ATOM 0 HD2 TYR A 50 16.178 2.244 -24.793 1.00 64.21 H new ATOM 0 HE1 TYR A 50 14.406 -2.184 -25.999 1.00 52.32 H new ATOM 0 HE2 TYR A 50 13.753 1.901 -24.978 1.00 1.23 H new ATOM 0 HH TYR A 50 12.357 -1.284 -25.351 1.00 62.35 H new ATOM 799 N GLU A 51 21.168 0.336 -24.219 1.00 64.31 N ATOM 800 CA GLU A 51 22.631 0.329 -24.404 1.00 51.10 C ATOM 801 C GLU A 51 23.235 -0.978 -23.868 1.00 3.43 C ATOM 802 O GLU A 51 24.073 -1.611 -24.511 1.00 13.23 O ATOM 803 CB GLU A 51 23.282 1.506 -23.663 1.00 5.32 C ATOM 804 CG GLU A 51 22.716 2.880 -24.007 1.00 31.22 C ATOM 805 CD GLU A 51 23.381 3.994 -23.211 1.00 11.54 C ATOM 806 OE1 GLU A 51 23.849 3.730 -22.078 1.00 35.51 O ATOM 807 OE2 GLU A 51 23.446 5.137 -23.705 1.00 22.31 O ATOM 0 H GLU A 51 20.809 1.161 -23.738 1.00 64.31 H new ATOM 0 HA GLU A 51 22.826 0.418 -25.473 1.00 51.10 H new ATOM 0 HB2 GLU A 51 23.174 1.344 -22.590 1.00 5.32 H new ATOM 0 HB3 GLU A 51 24.350 1.506 -23.880 1.00 5.32 H new ATOM 0 HG2 GLU A 51 22.848 3.069 -25.072 1.00 31.22 H new ATOM 0 HG3 GLU A 51 21.643 2.888 -23.813 1.00 31.22 H new ATOM 814 N ARG A 52 22.780 -1.370 -22.679 1.00 13.25 N ATOM 815 CA ARG A 52 23.246 -2.590 -22.012 1.00 51.35 C ATOM 816 C ARG A 52 23.008 -3.833 -22.889 1.00 41.44 C ATOM 817 O ARG A 52 23.813 -4.765 -22.902 1.00 35.13 O ATOM 818 CB ARG A 52 22.516 -2.729 -20.667 1.00 73.01 C ATOM 819 CG ARG A 52 23.183 -3.684 -19.684 1.00 43.31 C ATOM 820 CD ARG A 52 22.440 -3.725 -18.351 1.00 61.41 C ATOM 821 NE ARG A 52 23.248 -4.317 -17.289 1.00 52.21 N ATOM 822 CZ ARG A 52 22.941 -4.267 -16.021 1.00 30.11 C ATOM 823 NH1 ARG A 52 21.818 -3.752 -15.634 1.00 23.25 N ATOM 824 NH2 ARG A 52 23.761 -4.741 -15.141 1.00 33.53 N ATOM 0 H ARG A 52 22.078 -0.853 -22.149 1.00 13.25 H new ATOM 0 HA ARG A 52 24.320 -2.515 -21.843 1.00 51.35 H new ATOM 0 HB2 ARG A 52 22.441 -1.745 -20.205 1.00 73.01 H new ATOM 0 HB3 ARG A 52 21.498 -3.072 -20.854 1.00 73.01 H new ATOM 0 HG2 ARG A 52 23.217 -4.685 -20.114 1.00 43.31 H new ATOM 0 HG3 ARG A 52 24.215 -3.374 -19.517 1.00 43.31 H new ATOM 0 HD2 ARG A 52 22.152 -2.713 -18.066 1.00 61.41 H new ATOM 0 HD3 ARG A 52 21.520 -4.297 -18.467 1.00 61.41 H new ATOM 0 HE ARG A 52 24.106 -4.800 -17.554 1.00 52.21 H new ATOM 0 HH11 ARG A 52 21.163 -3.380 -16.322 1.00 23.25 H new ATOM 0 HH12 ARG A 52 21.588 -3.718 -14.641 1.00 23.25 H new ATOM 0 HH21 ARG A 52 24.646 -5.153 -15.438 1.00 33.53 H new ATOM 0 HH22 ARG A 52 23.523 -4.703 -14.150 1.00 33.53 H new ATOM 838 N LEU A 53 21.903 -3.826 -23.633 1.00 21.12 N ATOM 839 CA LEU A 53 21.563 -4.928 -24.549 1.00 65.41 C ATOM 840 C LEU A 53 22.059 -4.649 -25.986 1.00 2.01 C ATOM 841 O LEU A 53 21.600 -5.279 -26.943 1.00 31.24 O ATOM 842 CB LEU A 53 20.041 -5.152 -24.548 1.00 52.35 C ATOM 843 CG LEU A 53 19.429 -5.489 -23.176 1.00 33.11 C ATOM 844 CD1 LEU A 53 17.916 -5.653 -23.283 1.00 63.35 C ATOM 845 CD2 LEU A 53 20.070 -6.747 -22.588 1.00 42.41 C ATOM 0 H LEU A 53 21.221 -3.068 -23.623 1.00 21.12 H new ATOM 0 HA LEU A 53 22.066 -5.828 -24.196 1.00 65.41 H new ATOM 0 HB2 LEU A 53 19.557 -4.254 -24.933 1.00 52.35 H new ATOM 0 HB3 LEU A 53 19.808 -5.961 -25.240 1.00 52.35 H new ATOM 0 HG LEU A 53 19.634 -4.658 -22.502 1.00 33.11 H new ATOM 0 HD11 LEU A 53 17.505 -5.891 -22.302 1.00 63.35 H new ATOM 0 HD12 LEU A 53 17.474 -4.725 -23.646 1.00 63.35 H new ATOM 0 HD13 LEU A 53 17.686 -6.461 -23.978 1.00 63.35 H new ATOM 0 HD21 LEU A 53 19.621 -6.965 -21.619 1.00 42.41 H new ATOM 0 HD22 LEU A 53 19.905 -7.588 -23.261 1.00 42.41 H new ATOM 0 HD23 LEU A 53 21.141 -6.586 -22.464 1.00 42.41 H new ATOM 857 N ASP A 54 22.993 -3.699 -26.120 1.00 72.34 N ATOM 858 CA ASP A 54 23.590 -3.327 -27.418 1.00 22.23 C ATOM 859 C ASP A 54 22.551 -2.695 -28.372 1.00 14.10 C ATOM 860 O ASP A 54 22.811 -2.488 -29.558 1.00 43.44 O ATOM 861 CB ASP A 54 24.268 -4.549 -28.068 1.00 71.12 C ATOM 862 CG ASP A 54 25.035 -4.192 -29.332 1.00 62.51 C ATOM 863 OD1 ASP A 54 25.996 -3.395 -29.248 1.00 63.11 O ATOM 864 OD2 ASP A 54 24.693 -4.716 -30.415 1.00 14.50 O ATOM 0 H ASP A 54 23.359 -3.163 -25.333 1.00 72.34 H new ATOM 0 HA ASP A 54 24.349 -2.569 -27.227 1.00 22.23 H new ATOM 0 HB2 ASP A 54 24.950 -5.005 -27.351 1.00 71.12 H new ATOM 0 HB3 ASP A 54 23.510 -5.296 -28.306 1.00 71.12 H new ATOM 869 N ARG A 55 21.381 -2.362 -27.839 1.00 64.31 N ATOM 870 CA ARG A 55 20.323 -1.723 -28.625 1.00 1.21 C ATOM 871 C ARG A 55 20.581 -0.209 -28.766 1.00 41.11 C ATOM 872 O ARG A 55 19.792 0.618 -28.306 1.00 63.40 O ATOM 873 CB ARG A 55 18.956 -1.982 -27.971 1.00 43.34 C ATOM 874 CG ARG A 55 18.623 -3.463 -27.796 1.00 11.10 C ATOM 875 CD ARG A 55 18.557 -4.196 -29.131 1.00 45.21 C ATOM 876 NE ARG A 55 17.592 -3.579 -30.036 1.00 60.52 N ATOM 877 CZ ARG A 55 16.873 -4.222 -30.911 1.00 62.41 C ATOM 878 NH1 ARG A 55 16.988 -5.505 -31.053 1.00 75.24 N ATOM 879 NH2 ARG A 55 16.031 -3.570 -31.639 1.00 63.34 N ATOM 0 H ARG A 55 21.137 -2.523 -26.862 1.00 64.31 H new ATOM 0 HA ARG A 55 20.323 -2.156 -29.625 1.00 1.21 H new ATOM 0 HB2 ARG A 55 18.934 -1.497 -26.995 1.00 43.34 H new ATOM 0 HB3 ARG A 55 18.180 -1.515 -28.577 1.00 43.34 H new ATOM 0 HG2 ARG A 55 19.376 -3.931 -27.162 1.00 11.10 H new ATOM 0 HG3 ARG A 55 17.667 -3.561 -27.281 1.00 11.10 H new ATOM 0 HD2 ARG A 55 19.543 -4.197 -29.595 1.00 45.21 H new ATOM 0 HD3 ARG A 55 18.284 -5.237 -28.962 1.00 45.21 H new ATOM 0 HE ARG A 55 17.472 -2.568 -29.979 1.00 60.52 H new ATOM 0 HH11 ARG A 55 17.648 -6.025 -30.475 1.00 75.24 H new ATOM 0 HH12 ARG A 55 16.418 -5.995 -31.743 1.00 75.24 H new ATOM 0 HH21 ARG A 55 15.933 -2.561 -31.526 1.00 63.34 H new ATOM 0 HH22 ARG A 55 15.463 -4.064 -32.327 1.00 63.34 H new ATOM 893 N THR A 56 21.700 0.137 -29.408 1.00 22.10 N ATOM 894 CA THR A 56 22.132 1.538 -29.556 1.00 20.01 C ATOM 895 C THR A 56 21.052 2.423 -30.206 1.00 44.41 C ATOM 896 O THR A 56 20.694 3.476 -29.674 1.00 22.14 O ATOM 897 CB THR A 56 23.430 1.631 -30.402 1.00 1.25 C ATOM 898 OG1 THR A 56 24.457 0.803 -29.831 1.00 14.42 O ATOM 899 CG2 THR A 56 23.933 3.070 -30.500 1.00 43.55 C ATOM 0 H THR A 56 22.332 -0.538 -29.839 1.00 22.10 H new ATOM 0 HA THR A 56 22.316 1.906 -28.547 1.00 20.01 H new ATOM 0 HB THR A 56 23.193 1.281 -31.407 1.00 1.25 H new ATOM 0 HG1 THR A 56 25.270 0.869 -30.374 1.00 14.42 H new ATOM 0 HG21 THR A 56 24.843 3.097 -31.099 1.00 43.55 H new ATOM 0 HG22 THR A 56 23.170 3.691 -30.970 1.00 43.55 H new ATOM 0 HG23 THR A 56 24.145 3.450 -29.501 1.00 43.55 H new ATOM 907 N ASP A 57 20.530 1.984 -31.351 1.00 34.14 N ATOM 908 CA ASP A 57 19.505 2.743 -32.077 1.00 23.54 C ATOM 909 C ASP A 57 18.241 2.941 -31.222 1.00 73.41 C ATOM 910 O ASP A 57 17.692 4.043 -31.149 1.00 14.41 O ATOM 911 CB ASP A 57 19.157 2.029 -33.387 1.00 35.12 C ATOM 912 CG ASP A 57 18.108 2.775 -34.192 1.00 73.04 C ATOM 913 OD1 ASP A 57 18.457 3.772 -34.855 1.00 12.43 O ATOM 914 OD2 ASP A 57 16.927 2.371 -34.164 1.00 24.45 O ATOM 0 H ASP A 57 20.798 1.107 -31.798 1.00 34.14 H new ATOM 0 HA ASP A 57 19.909 3.730 -32.302 1.00 23.54 H new ATOM 0 HB2 ASP A 57 20.060 1.917 -33.987 1.00 35.12 H new ATOM 0 HB3 ASP A 57 18.795 1.025 -33.165 1.00 35.12 H new ATOM 919 N ASP A 58 17.790 1.864 -30.577 1.00 3.31 N ATOM 920 CA ASP A 58 16.629 1.915 -29.684 1.00 21.22 C ATOM 921 C ASP A 58 16.850 2.942 -28.563 1.00 12.31 C ATOM 922 O ASP A 58 15.974 3.760 -28.270 1.00 22.45 O ATOM 923 CB ASP A 58 16.373 0.529 -29.079 1.00 64.44 C ATOM 924 CG ASP A 58 16.271 -0.558 -30.134 1.00 2.52 C ATOM 925 OD1 ASP A 58 17.299 -0.871 -30.769 1.00 42.44 O ATOM 926 OD2 ASP A 58 15.176 -1.128 -30.316 1.00 63.44 O ATOM 0 H ASP A 58 18.214 0.940 -30.657 1.00 3.31 H new ATOM 0 HA ASP A 58 15.759 2.220 -30.266 1.00 21.22 H new ATOM 0 HB2 ASP A 58 17.179 0.284 -28.387 1.00 64.44 H new ATOM 0 HB3 ASP A 58 15.451 0.555 -28.498 1.00 64.44 H new ATOM 931 N ALA A 59 18.034 2.892 -27.947 1.00 42.30 N ATOM 932 CA ALA A 59 18.404 3.826 -26.881 1.00 10.21 C ATOM 933 C ALA A 59 18.325 5.282 -27.357 1.00 54.20 C ATOM 934 O ALA A 59 17.631 6.104 -26.758 1.00 44.32 O ATOM 935 CB ALA A 59 19.810 3.514 -26.375 1.00 60.04 C ATOM 0 H ALA A 59 18.758 2.209 -28.171 1.00 42.30 H new ATOM 0 HA ALA A 59 17.692 3.702 -26.065 1.00 10.21 H new ATOM 0 HB1 ALA A 59 20.075 4.214 -25.583 1.00 60.04 H new ATOM 0 HB2 ALA A 59 19.839 2.497 -25.985 1.00 60.04 H new ATOM 0 HB3 ALA A 59 20.521 3.608 -27.196 1.00 60.04 H new ATOM 941 N ILE A 60 19.030 5.589 -28.446 1.00 24.42 N ATOM 942 CA ILE A 60 19.066 6.951 -28.996 1.00 43.14 C ATOM 943 C ILE A 60 17.655 7.481 -29.315 1.00 50.02 C ATOM 944 O ILE A 60 17.302 8.603 -28.939 1.00 23.41 O ATOM 945 CB ILE A 60 19.952 7.023 -30.270 1.00 41.32 C ATOM 946 CG1 ILE A 60 21.399 6.609 -29.933 1.00 42.43 C ATOM 947 CG2 ILE A 60 19.919 8.429 -30.876 1.00 4.55 C ATOM 948 CD1 ILE A 60 22.340 6.620 -31.123 1.00 4.12 C ATOM 0 H ILE A 60 19.587 4.913 -28.969 1.00 24.42 H new ATOM 0 HA ILE A 60 19.503 7.585 -28.225 1.00 43.14 H new ATOM 0 HB ILE A 60 19.553 6.329 -31.010 1.00 41.32 H new ATOM 0 HG12 ILE A 60 21.789 7.281 -29.169 1.00 42.43 H new ATOM 0 HG13 ILE A 60 21.388 5.608 -29.502 1.00 42.43 H new ATOM 0 HG21 ILE A 60 20.546 8.456 -31.767 1.00 4.55 H new ATOM 0 HG22 ILE A 60 18.894 8.685 -31.146 1.00 4.55 H new ATOM 0 HG23 ILE A 60 20.293 9.148 -30.147 1.00 4.55 H new ATOM 0 HD11 ILE A 60 23.337 6.317 -30.802 1.00 4.12 H new ATOM 0 HD12 ILE A 60 21.976 5.926 -31.881 1.00 4.12 H new ATOM 0 HD13 ILE A 60 22.384 7.625 -31.543 1.00 4.12 H new ATOM 960 N ASP A 61 16.846 6.667 -29.988 1.00 33.21 N ATOM 961 CA ASP A 61 15.475 7.058 -30.336 1.00 53.42 C ATOM 962 C ASP A 61 14.618 7.256 -29.069 1.00 70.12 C ATOM 963 O ASP A 61 13.724 8.106 -29.032 1.00 31.43 O ATOM 964 CB ASP A 61 14.853 6.004 -31.258 1.00 22.03 C ATOM 965 CG ASP A 61 13.556 6.479 -31.894 1.00 11.02 C ATOM 966 OD1 ASP A 61 13.593 7.465 -32.664 1.00 14.30 O ATOM 967 OD2 ASP A 61 12.499 5.861 -31.650 1.00 65.54 O ATOM 0 H ASP A 61 17.111 5.734 -30.304 1.00 33.21 H new ATOM 0 HA ASP A 61 15.507 8.011 -30.863 1.00 53.42 H new ATOM 0 HB2 ASP A 61 15.565 5.746 -32.042 1.00 22.03 H new ATOM 0 HB3 ASP A 61 14.663 5.094 -30.688 1.00 22.03 H new ATOM 972 N THR A 62 14.904 6.470 -28.031 1.00 52.23 N ATOM 973 CA THR A 62 14.256 6.643 -26.722 1.00 4.40 C ATOM 974 C THR A 62 14.668 7.974 -26.077 1.00 2.53 C ATOM 975 O THR A 62 13.832 8.699 -25.529 1.00 30.43 O ATOM 976 CB THR A 62 14.597 5.480 -25.755 1.00 60.21 C ATOM 977 OG1 THR A 62 14.047 4.250 -26.252 1.00 25.40 O ATOM 978 CG2 THR A 62 14.062 5.742 -24.349 1.00 64.41 C ATOM 0 H THR A 62 15.579 5.706 -28.067 1.00 52.23 H new ATOM 0 HA THR A 62 13.181 6.644 -26.900 1.00 4.40 H new ATOM 0 HB THR A 62 15.683 5.406 -25.699 1.00 60.21 H new ATOM 0 HG1 THR A 62 14.603 3.917 -26.987 1.00 25.40 H new ATOM 0 HG21 THR A 62 14.320 4.905 -23.700 1.00 64.41 H new ATOM 0 HG22 THR A 62 14.505 6.657 -23.956 1.00 64.41 H new ATOM 0 HG23 THR A 62 12.978 5.851 -24.387 1.00 64.41 H new ATOM 986 N TYR A 63 15.961 8.296 -26.148 1.00 64.13 N ATOM 987 CA TYR A 63 16.467 9.576 -25.637 1.00 20.32 C ATOM 988 C TYR A 63 15.825 10.758 -26.375 1.00 31.34 C ATOM 989 O TYR A 63 15.604 11.811 -25.789 1.00 10.34 O ATOM 990 CB TYR A 63 17.998 9.658 -25.754 1.00 23.01 C ATOM 991 CG TYR A 63 18.741 8.632 -24.916 1.00 23.12 C ATOM 992 CD1 TYR A 63 18.469 8.478 -23.558 1.00 53.53 C ATOM 993 CD2 TYR A 63 19.722 7.822 -25.481 1.00 72.01 C ATOM 994 CE1 TYR A 63 19.149 7.547 -22.797 1.00 34.34 C ATOM 995 CE2 TYR A 63 20.403 6.891 -24.725 1.00 51.40 C ATOM 996 CZ TYR A 63 20.113 6.757 -23.386 1.00 61.51 C ATOM 997 OH TYR A 63 20.789 5.829 -22.635 1.00 13.42 O ATOM 0 H TYR A 63 16.676 7.692 -26.553 1.00 64.13 H new ATOM 0 HA TYR A 63 16.196 9.632 -24.583 1.00 20.32 H new ATOM 0 HB2 TYR A 63 18.279 9.529 -26.799 1.00 23.01 H new ATOM 0 HB3 TYR A 63 18.321 10.656 -25.458 1.00 23.01 H new ATOM 0 HD1 TYR A 63 17.715 9.096 -23.093 1.00 53.53 H new ATOM 0 HD2 TYR A 63 19.954 7.925 -26.531 1.00 72.01 H new ATOM 0 HE1 TYR A 63 18.926 7.439 -21.746 1.00 34.34 H new ATOM 0 HE2 TYR A 63 21.160 6.270 -25.181 1.00 51.40 H new ATOM 0 HH TYR A 63 21.733 5.821 -22.898 1.00 13.42 H new ATOM 1007 N ALA A 64 15.526 10.573 -27.661 1.00 44.02 N ATOM 1008 CA ALA A 64 14.824 11.593 -28.449 1.00 21.32 C ATOM 1009 C ALA A 64 13.459 11.935 -27.825 1.00 32.11 C ATOM 1010 O ALA A 64 13.142 13.107 -27.607 1.00 24.34 O ATOM 1011 CB ALA A 64 14.658 11.126 -29.890 1.00 65.32 C ATOM 0 H ALA A 64 15.758 9.727 -28.182 1.00 44.02 H new ATOM 0 HA ALA A 64 15.427 12.501 -28.445 1.00 21.32 H new ATOM 0 HB1 ALA A 64 14.136 11.892 -30.463 1.00 65.32 H new ATOM 0 HB2 ALA A 64 15.639 10.949 -30.330 1.00 65.32 H new ATOM 0 HB3 ALA A 64 14.080 10.202 -29.909 1.00 65.32 H new ATOM 1017 N GLN A 65 12.660 10.907 -27.531 1.00 61.22 N ATOM 1018 CA GLN A 65 11.396 11.091 -26.803 1.00 33.21 C ATOM 1019 C GLN A 65 11.646 11.736 -25.433 1.00 51.10 C ATOM 1020 O GLN A 65 10.903 12.621 -24.998 1.00 25.11 O ATOM 1021 CB GLN A 65 10.680 9.744 -26.624 1.00 73.24 C ATOM 1022 CG GLN A 65 9.975 9.247 -27.882 1.00 25.02 C ATOM 1023 CD GLN A 65 8.758 10.085 -28.259 1.00 5.41 C ATOM 1024 OE1 GLN A 65 8.054 10.610 -27.268 1.00 2.14 O flip ATOM 1025 NE2 GLN A 65 8.439 10.236 -29.434 1.00 1.32 N flip ATOM 0 H GLN A 65 12.862 9.940 -27.784 1.00 61.22 H new ATOM 0 HA GLN A 65 10.761 11.755 -27.390 1.00 33.21 H new ATOM 0 HB2 GLN A 65 11.407 8.996 -26.307 1.00 73.24 H new ATOM 0 HB3 GLN A 65 9.948 9.836 -25.822 1.00 73.24 H new ATOM 0 HG2 GLN A 65 10.682 9.250 -28.712 1.00 25.02 H new ATOM 0 HG3 GLN A 65 9.664 8.213 -27.732 1.00 25.02 H new ATOM 0 HE21 GLN A 65 9.004 9.818 -30.174 1.00 1.32 H new ATOM 0 HE22 GLN A 65 7.609 10.780 -29.671 1.00 1.32 H new ATOM 1034 N GLY A 66 12.702 11.282 -24.760 1.00 53.23 N ATOM 1035 CA GLY A 66 13.086 11.859 -23.479 1.00 34.13 C ATOM 1036 C GLY A 66 13.428 13.344 -23.571 1.00 12.01 C ATOM 1037 O GLY A 66 13.070 14.120 -22.692 1.00 43.20 O ATOM 0 H GLY A 66 13.302 10.521 -25.080 1.00 53.23 H new ATOM 0 HA2 GLY A 66 12.272 11.723 -22.767 1.00 34.13 H new ATOM 0 HA3 GLY A 66 13.947 11.317 -23.086 1.00 34.13 H new ATOM 1041 N ILE A 67 14.116 13.733 -24.643 1.00 41.25 N ATOM 1042 CA ILE A 67 14.511 15.129 -24.868 1.00 55.12 C ATOM 1043 C ILE A 67 13.293 16.062 -24.827 1.00 62.41 C ATOM 1044 O ILE A 67 13.312 17.112 -24.176 1.00 21.15 O ATOM 1045 CB ILE A 67 15.248 15.274 -26.234 1.00 1.40 C ATOM 1046 CG1 ILE A 67 16.680 14.715 -26.131 1.00 34.41 C ATOM 1047 CG2 ILE A 67 15.264 16.725 -26.720 1.00 61.15 C ATOM 1048 CD1 ILE A 67 17.462 14.756 -27.431 1.00 43.31 C ATOM 0 H ILE A 67 14.416 13.095 -25.380 1.00 41.25 H new ATOM 0 HA ILE A 67 15.191 15.417 -24.066 1.00 55.12 H new ATOM 0 HB ILE A 67 14.696 14.693 -26.973 1.00 1.40 H new ATOM 0 HG12 ILE A 67 17.225 15.281 -25.375 1.00 34.41 H new ATOM 0 HG13 ILE A 67 16.630 13.683 -25.783 1.00 34.41 H new ATOM 0 HG21 ILE A 67 15.787 16.783 -27.675 1.00 61.15 H new ATOM 0 HG22 ILE A 67 14.240 17.078 -26.845 1.00 61.15 H new ATOM 0 HG23 ILE A 67 15.776 17.348 -25.987 1.00 61.15 H new ATOM 0 HD11 ILE A 67 18.458 14.344 -27.269 1.00 43.31 H new ATOM 0 HD12 ILE A 67 16.943 14.166 -28.186 1.00 43.31 H new ATOM 0 HD13 ILE A 67 17.547 15.788 -27.772 1.00 43.31 H new ATOM 1060 N GLU A 68 12.231 15.647 -25.503 1.00 72.43 N ATOM 1061 CA GLU A 68 11.001 16.433 -25.600 1.00 73.34 C ATOM 1062 C GLU A 68 10.321 16.597 -24.230 1.00 42.12 C ATOM 1063 O GLU A 68 10.071 17.716 -23.774 1.00 11.02 O ATOM 1064 CB GLU A 68 10.055 15.750 -26.593 1.00 3.12 C ATOM 1065 CG GLU A 68 10.726 15.441 -27.927 1.00 32.50 C ATOM 1066 CD GLU A 68 9.840 14.658 -28.879 1.00 25.14 C ATOM 1067 OE1 GLU A 68 9.011 15.280 -29.572 1.00 21.41 O ATOM 1068 OE2 GLU A 68 9.990 13.423 -28.960 1.00 34.24 O ATOM 0 H GLU A 68 12.194 14.757 -26.001 1.00 72.43 H new ATOM 0 HA GLU A 68 11.251 17.434 -25.953 1.00 73.34 H new ATOM 0 HB2 GLU A 68 9.682 14.824 -26.155 1.00 3.12 H new ATOM 0 HB3 GLU A 68 9.191 16.392 -26.766 1.00 3.12 H new ATOM 0 HG2 GLU A 68 11.021 16.376 -28.403 1.00 32.50 H new ATOM 0 HG3 GLU A 68 11.639 14.875 -27.744 1.00 32.50 H new ATOM 1075 N VAL A 69 10.044 15.479 -23.565 1.00 3.44 N ATOM 1076 CA VAL A 69 9.385 15.508 -22.254 1.00 61.21 C ATOM 1077 C VAL A 69 10.299 16.097 -21.159 1.00 23.32 C ATOM 1078 O VAL A 69 9.818 16.643 -20.167 1.00 22.43 O ATOM 1079 CB VAL A 69 8.902 14.095 -21.830 1.00 35.13 C ATOM 1080 CG1 VAL A 69 7.874 13.554 -22.827 1.00 31.01 C ATOM 1081 CG2 VAL A 69 10.081 13.133 -21.689 1.00 53.43 C ATOM 0 H VAL A 69 10.263 14.543 -23.907 1.00 3.44 H new ATOM 0 HA VAL A 69 8.518 16.159 -22.360 1.00 61.21 H new ATOM 0 HB VAL A 69 8.421 14.180 -20.856 1.00 35.13 H new ATOM 0 HG11 VAL A 69 7.548 12.563 -22.512 1.00 31.01 H new ATOM 0 HG12 VAL A 69 7.015 14.224 -22.863 1.00 31.01 H new ATOM 0 HG13 VAL A 69 8.326 13.490 -23.817 1.00 31.01 H new ATOM 0 HG21 VAL A 69 9.715 12.150 -21.391 1.00 53.43 H new ATOM 0 HG22 VAL A 69 10.601 13.053 -22.644 1.00 53.43 H new ATOM 0 HG23 VAL A 69 10.769 13.509 -20.932 1.00 53.43 H new ATOM 1091 N ALA A 70 11.616 16.000 -21.348 1.00 51.23 N ATOM 1092 CA ALA A 70 12.578 16.540 -20.375 1.00 41.31 C ATOM 1093 C ALA A 70 12.494 18.068 -20.279 1.00 63.43 C ATOM 1094 O ALA A 70 12.340 18.623 -19.195 1.00 72.33 O ATOM 1095 CB ALA A 70 13.997 16.118 -20.733 1.00 22.32 C ATOM 0 H ALA A 70 12.043 15.556 -22.161 1.00 51.23 H new ATOM 0 HA ALA A 70 12.317 16.128 -19.400 1.00 41.31 H new ATOM 0 HB1 ALA A 70 14.694 16.527 -20.002 1.00 22.32 H new ATOM 0 HB2 ALA A 70 14.065 15.030 -20.730 1.00 22.32 H new ATOM 0 HB3 ALA A 70 14.249 16.494 -21.724 1.00 22.32 H new ATOM 1101 N ARG A 71 12.586 18.741 -21.422 1.00 65.30 N ATOM 1102 CA ARG A 71 12.528 20.208 -21.462 1.00 24.05 C ATOM 1103 C ARG A 71 11.145 20.751 -21.051 1.00 71.20 C ATOM 1104 O ARG A 71 11.045 21.830 -20.457 1.00 62.22 O ATOM 1105 CB ARG A 71 12.896 20.720 -22.866 1.00 23.35 C ATOM 1106 CG ARG A 71 12.143 20.019 -23.997 1.00 30.02 C ATOM 1107 CD ARG A 71 12.340 20.713 -25.341 1.00 72.33 C ATOM 1108 NE ARG A 71 11.597 21.968 -25.418 1.00 54.24 N ATOM 1109 CZ ARG A 71 11.762 22.871 -26.345 1.00 1.35 C ATOM 1110 NH1 ARG A 71 12.713 22.757 -27.218 1.00 42.11 N ATOM 1111 NH2 ARG A 71 10.994 23.909 -26.371 1.00 70.21 N ATOM 0 H ARG A 71 12.701 18.300 -22.334 1.00 65.30 H new ATOM 0 HA ARG A 71 13.254 20.576 -20.737 1.00 24.05 H new ATOM 0 HB2 ARG A 71 12.694 21.790 -22.917 1.00 23.35 H new ATOM 0 HB3 ARG A 71 13.967 20.590 -23.020 1.00 23.35 H new ATOM 0 HG2 ARG A 71 12.483 18.986 -24.071 1.00 30.02 H new ATOM 0 HG3 ARG A 71 11.080 19.989 -23.759 1.00 30.02 H new ATOM 0 HD2 ARG A 71 13.401 20.909 -25.497 1.00 72.33 H new ATOM 0 HD3 ARG A 71 12.017 20.050 -26.143 1.00 72.33 H new ATOM 0 HE ARG A 71 10.900 22.151 -24.696 1.00 54.24 H new ATOM 0 HH11 ARG A 71 13.342 21.955 -27.185 1.00 42.11 H new ATOM 0 HH12 ARG A 71 12.832 23.469 -27.938 1.00 42.11 H new ATOM 0 HH21 ARG A 71 10.263 24.020 -25.669 1.00 70.21 H new ATOM 0 HH22 ARG A 71 11.119 24.618 -27.094 1.00 70.21 H new ATOM 1125 N GLU A 72 10.081 20.015 -21.377 1.00 0.40 N ATOM 1126 CA GLU A 72 8.715 20.489 -21.110 1.00 44.43 C ATOM 1127 C GLU A 72 8.220 20.119 -19.701 1.00 54.54 C ATOM 1128 O GLU A 72 7.794 20.991 -18.940 1.00 31.33 O ATOM 1129 CB GLU A 72 7.749 19.941 -22.172 1.00 31.44 C ATOM 1130 CG GLU A 72 8.113 20.350 -23.597 1.00 2.34 C ATOM 1131 CD GLU A 72 8.250 21.856 -23.761 1.00 34.32 C ATOM 1132 OE1 GLU A 72 7.225 22.538 -23.953 1.00 54.21 O ATOM 1133 OE2 GLU A 72 9.384 22.369 -23.689 1.00 44.15 O ATOM 0 H GLU A 72 10.133 19.098 -21.821 1.00 0.40 H new ATOM 0 HA GLU A 72 8.740 21.578 -21.161 1.00 44.43 H new ATOM 0 HB2 GLU A 72 7.731 18.853 -22.108 1.00 31.44 H new ATOM 0 HB3 GLU A 72 6.741 20.290 -21.949 1.00 31.44 H new ATOM 0 HG2 GLU A 72 9.051 19.872 -23.879 1.00 2.34 H new ATOM 0 HG3 GLU A 72 7.349 19.982 -24.282 1.00 2.34 H new ATOM 1140 N GLU A 73 8.306 18.840 -19.343 1.00 63.45 N ATOM 1141 CA GLU A 73 7.748 18.354 -18.075 1.00 41.02 C ATOM 1142 C GLU A 73 8.789 18.372 -16.941 1.00 62.21 C ATOM 1143 O GLU A 73 8.449 18.580 -15.770 1.00 20.32 O ATOM 1144 CB GLU A 73 7.186 16.936 -18.262 1.00 63.21 C ATOM 1145 CG GLU A 73 6.199 16.808 -19.423 1.00 1.24 C ATOM 1146 CD GLU A 73 5.035 17.789 -19.334 1.00 70.21 C ATOM 1147 OE1 GLU A 73 4.065 17.503 -18.599 1.00 51.42 O ATOM 1148 OE2 GLU A 73 5.082 18.846 -19.994 1.00 4.42 O ATOM 0 H GLU A 73 8.755 18.120 -19.909 1.00 63.45 H new ATOM 0 HA GLU A 73 6.943 19.030 -17.785 1.00 41.02 H new ATOM 0 HB2 GLU A 73 8.014 16.246 -18.425 1.00 63.21 H new ATOM 0 HB3 GLU A 73 6.691 16.628 -17.341 1.00 63.21 H new ATOM 0 HG2 GLU A 73 6.730 16.968 -20.362 1.00 1.24 H new ATOM 0 HG3 GLU A 73 5.807 15.791 -19.448 1.00 1.24 H new ATOM 1155 N GLY A 74 10.052 18.141 -17.284 1.00 23.35 N ATOM 1156 CA GLY A 74 11.124 18.188 -16.290 1.00 64.21 C ATOM 1157 C GLY A 74 11.898 19.505 -16.319 1.00 12.35 C ATOM 1158 O GLY A 74 11.336 20.573 -16.061 1.00 33.20 O ATOM 0 H GLY A 74 10.359 17.921 -18.232 1.00 23.35 H new ATOM 0 HA2 GLY A 74 10.699 18.043 -15.297 1.00 64.21 H new ATOM 0 HA3 GLY A 74 11.813 17.362 -16.466 1.00 64.21 H new ATOM 1162 N THR A 75 13.192 19.432 -16.621 1.00 2.23 N ATOM 1163 CA THR A 75 14.027 20.633 -16.774 1.00 55.23 C ATOM 1164 C THR A 75 15.193 20.390 -17.746 1.00 61.50 C ATOM 1165 O THR A 75 15.471 19.249 -18.133 1.00 41.30 O ATOM 1166 CB THR A 75 14.596 21.123 -15.416 1.00 4.04 C ATOM 1167 OG1 THR A 75 15.491 22.227 -15.624 1.00 34.32 O ATOM 1168 CG2 THR A 75 15.331 20.008 -14.680 1.00 74.42 C ATOM 0 H THR A 75 13.691 18.554 -16.766 1.00 2.23 H new ATOM 0 HA THR A 75 13.374 21.405 -17.181 1.00 55.23 H new ATOM 0 HB THR A 75 13.753 21.441 -14.803 1.00 4.04 H new ATOM 0 HG1 THR A 75 15.843 22.530 -14.761 1.00 34.32 H new ATOM 0 HG21 THR A 75 15.715 20.389 -13.734 1.00 74.42 H new ATOM 0 HG22 THR A 75 14.644 19.184 -14.487 1.00 74.42 H new ATOM 0 HG23 THR A 75 16.160 19.653 -15.292 1.00 74.42 H new ATOM 1176 N GLN A 76 15.882 21.465 -18.132 1.00 73.24 N ATOM 1177 CA GLN A 76 17.033 21.364 -19.038 1.00 60.33 C ATOM 1178 C GLN A 76 18.140 20.490 -18.422 1.00 1.23 C ATOM 1179 O GLN A 76 18.937 19.882 -19.137 1.00 34.31 O ATOM 1180 CB GLN A 76 17.587 22.762 -19.358 1.00 11.34 C ATOM 1181 CG GLN A 76 18.639 22.776 -20.466 1.00 34.13 C ATOM 1182 CD GLN A 76 19.241 24.154 -20.696 1.00 45.33 C ATOM 1183 OE1 GLN A 76 20.256 24.515 -20.108 1.00 53.01 O ATOM 1184 NE2 GLN A 76 18.612 24.942 -21.542 1.00 40.35 N ATOM 0 H GLN A 76 15.665 22.416 -17.833 1.00 73.24 H new ATOM 0 HA GLN A 76 16.695 20.895 -19.962 1.00 60.33 H new ATOM 0 HB2 GLN A 76 16.761 23.411 -19.648 1.00 11.34 H new ATOM 0 HB3 GLN A 76 18.022 23.185 -18.453 1.00 11.34 H new ATOM 0 HG2 GLN A 76 19.435 22.075 -20.213 1.00 34.13 H new ATOM 0 HG3 GLN A 76 18.187 22.424 -21.393 1.00 34.13 H new ATOM 0 HE21 GLN A 76 17.770 24.614 -22.016 1.00 40.35 H new ATOM 0 HE22 GLN A 76 18.966 25.881 -21.724 1.00 40.35 H new ATOM 1193 N LYS A 77 18.164 20.420 -17.091 1.00 12.30 N ATOM 1194 CA LYS A 77 19.165 19.627 -16.374 1.00 73.44 C ATOM 1195 C LYS A 77 19.025 18.127 -16.695 1.00 43.52 C ATOM 1196 O LYS A 77 20.017 17.396 -16.728 1.00 53.33 O ATOM 1197 CB LYS A 77 19.046 19.869 -14.862 1.00 24.01 C ATOM 1198 CG LYS A 77 20.285 19.451 -14.079 1.00 52.12 C ATOM 1199 CD LYS A 77 20.122 19.684 -12.579 1.00 71.03 C ATOM 1200 CE LYS A 77 21.421 19.417 -11.825 1.00 60.52 C ATOM 1201 NZ LYS A 77 21.933 18.040 -12.058 1.00 32.33 N ATOM 0 H LYS A 77 17.501 20.904 -16.486 1.00 12.30 H new ATOM 0 HA LYS A 77 20.153 19.946 -16.706 1.00 73.44 H new ATOM 0 HB2 LYS A 77 18.855 20.927 -14.686 1.00 24.01 H new ATOM 0 HB3 LYS A 77 18.184 19.321 -14.481 1.00 24.01 H new ATOM 0 HG2 LYS A 77 20.490 18.396 -14.261 1.00 52.12 H new ATOM 0 HG3 LYS A 77 21.148 20.010 -14.441 1.00 52.12 H new ATOM 0 HD2 LYS A 77 19.803 20.711 -12.402 1.00 71.03 H new ATOM 0 HD3 LYS A 77 19.336 19.035 -12.193 1.00 71.03 H new ATOM 0 HE2 LYS A 77 22.175 20.140 -12.136 1.00 60.52 H new ATOM 0 HE3 LYS A 77 21.257 19.566 -10.758 1.00 60.52 H new ATOM 0 HZ1 LYS A 77 22.727 17.851 -11.413 1.00 32.33 H new ATOM 0 HZ2 LYS A 77 21.173 17.353 -11.882 1.00 32.33 H new ATOM 0 HZ3 LYS A 77 22.258 17.952 -13.042 1.00 32.33 H new ATOM 1215 N ASP A 78 17.788 17.674 -16.927 1.00 21.32 N ATOM 1216 CA ASP A 78 17.539 16.302 -17.394 1.00 21.45 C ATOM 1217 C ASP A 78 17.936 16.177 -18.872 1.00 65.05 C ATOM 1218 O ASP A 78 18.582 15.213 -19.290 1.00 73.41 O ATOM 1219 CB ASP A 78 16.057 15.933 -17.234 1.00 42.14 C ATOM 1220 CG ASP A 78 15.542 16.152 -15.824 1.00 12.02 C ATOM 1221 OD1 ASP A 78 15.918 15.379 -14.919 1.00 32.31 O ATOM 1222 OD2 ASP A 78 14.750 17.096 -15.616 1.00 13.14 O ATOM 0 H ASP A 78 16.945 18.234 -16.800 1.00 21.32 H new ATOM 0 HA ASP A 78 18.138 15.620 -16.791 1.00 21.45 H new ATOM 0 HB2 ASP A 78 15.463 16.527 -17.928 1.00 42.14 H new ATOM 0 HB3 ASP A 78 15.917 14.887 -17.508 1.00 42.14 H new ATOM 1227 N LEU A 79 17.538 17.186 -19.649 1.00 25.04 N ATOM 1228 CA LEU A 79 17.854 17.270 -21.079 1.00 45.24 C ATOM 1229 C LEU A 79 19.366 17.127 -21.343 1.00 72.03 C ATOM 1230 O LEU A 79 19.786 16.428 -22.268 1.00 30.04 O ATOM 1231 CB LEU A 79 17.346 18.613 -21.629 1.00 30.52 C ATOM 1232 CG LEU A 79 17.680 18.906 -23.099 1.00 55.24 C ATOM 1233 CD1 LEU A 79 17.099 17.836 -24.011 1.00 10.40 C ATOM 1234 CD2 LEU A 79 17.179 20.291 -23.499 1.00 54.34 C ATOM 0 H LEU A 79 16.986 17.971 -19.305 1.00 25.04 H new ATOM 0 HA LEU A 79 17.357 16.444 -21.588 1.00 45.24 H new ATOM 0 HB2 LEU A 79 16.263 18.646 -21.509 1.00 30.52 H new ATOM 0 HB3 LEU A 79 17.759 19.414 -21.016 1.00 30.52 H new ATOM 0 HG LEU A 79 18.764 18.890 -23.211 1.00 55.24 H new ATOM 0 HD11 LEU A 79 17.349 18.066 -25.047 1.00 10.40 H new ATOM 0 HD12 LEU A 79 17.516 16.865 -23.744 1.00 10.40 H new ATOM 0 HD13 LEU A 79 16.015 17.810 -23.897 1.00 10.40 H new ATOM 0 HD21 LEU A 79 17.426 20.479 -24.544 1.00 54.34 H new ATOM 0 HD22 LEU A 79 16.098 20.339 -23.367 1.00 54.34 H new ATOM 0 HD23 LEU A 79 17.655 21.045 -22.872 1.00 54.34 H new ATOM 1246 N SER A 80 20.175 17.795 -20.524 1.00 73.55 N ATOM 1247 CA SER A 80 21.641 17.736 -20.650 1.00 51.11 C ATOM 1248 C SER A 80 22.168 16.300 -20.506 1.00 64.15 C ATOM 1249 O SER A 80 23.154 15.917 -21.143 1.00 14.23 O ATOM 1250 CB SER A 80 22.303 18.633 -19.595 1.00 74.11 C ATOM 1251 OG SER A 80 23.718 18.621 -19.720 1.00 52.30 O ATOM 0 H SER A 80 19.845 18.387 -19.762 1.00 73.55 H new ATOM 0 HA SER A 80 21.896 18.093 -21.648 1.00 51.11 H new ATOM 0 HB2 SER A 80 21.935 19.654 -19.700 1.00 74.11 H new ATOM 0 HB3 SER A 80 22.021 18.294 -18.598 1.00 74.11 H new ATOM 0 HG SER A 80 24.112 19.202 -19.036 1.00 52.30 H new ATOM 1257 N GLU A 81 21.504 15.506 -19.670 1.00 42.24 N ATOM 1258 CA GLU A 81 21.909 14.116 -19.429 1.00 13.30 C ATOM 1259 C GLU A 81 21.524 13.214 -20.608 1.00 3.14 C ATOM 1260 O GLU A 81 22.336 12.433 -21.103 1.00 10.10 O ATOM 1261 CB GLU A 81 21.260 13.589 -18.142 1.00 54.54 C ATOM 1262 CG GLU A 81 21.404 14.525 -16.947 1.00 52.35 C ATOM 1263 CD GLU A 81 22.853 14.830 -16.595 1.00 53.43 C ATOM 1264 OE1 GLU A 81 23.413 15.810 -17.132 1.00 53.24 O ATOM 1265 OE2 GLU A 81 23.430 14.102 -15.763 1.00 23.01 O ATOM 0 H GLU A 81 20.680 15.799 -19.145 1.00 42.24 H new ATOM 0 HA GLU A 81 22.994 14.098 -19.321 1.00 13.30 H new ATOM 0 HB2 GLU A 81 20.200 13.413 -18.327 1.00 54.54 H new ATOM 0 HB3 GLU A 81 21.704 12.626 -17.891 1.00 54.54 H new ATOM 0 HG2 GLU A 81 20.885 15.459 -17.161 1.00 52.35 H new ATOM 0 HG3 GLU A 81 20.913 14.078 -16.082 1.00 52.35 H new ATOM 1272 N LEU A 82 20.274 13.333 -21.054 1.00 60.12 N ATOM 1273 CA LEU A 82 19.760 12.532 -22.172 1.00 54.03 C ATOM 1274 C LEU A 82 20.558 12.772 -23.467 1.00 30.20 C ATOM 1275 O LEU A 82 20.863 11.831 -24.205 1.00 63.05 O ATOM 1276 CB LEU A 82 18.277 12.848 -22.392 1.00 55.33 C ATOM 1277 CG LEU A 82 17.366 12.515 -21.198 1.00 43.41 C ATOM 1278 CD1 LEU A 82 15.948 13.016 -21.439 1.00 73.13 C ATOM 1279 CD2 LEU A 82 17.371 11.011 -20.922 1.00 63.51 C ATOM 0 H LEU A 82 19.592 13.980 -20.657 1.00 60.12 H new ATOM 0 HA LEU A 82 19.876 11.479 -21.913 1.00 54.03 H new ATOM 0 HB2 LEU A 82 18.176 13.908 -22.624 1.00 55.33 H new ATOM 0 HB3 LEU A 82 17.927 12.296 -23.264 1.00 55.33 H new ATOM 0 HG LEU A 82 17.757 13.026 -20.318 1.00 43.41 H new ATOM 0 HD11 LEU A 82 15.324 12.768 -20.581 1.00 73.13 H new ATOM 0 HD12 LEU A 82 15.963 14.097 -21.577 1.00 73.13 H new ATOM 0 HD13 LEU A 82 15.541 12.542 -22.332 1.00 73.13 H new ATOM 0 HD21 LEU A 82 16.721 10.795 -20.074 1.00 63.51 H new ATOM 0 HD22 LEU A 82 17.009 10.478 -21.802 1.00 63.51 H new ATOM 0 HD23 LEU A 82 18.386 10.686 -20.693 1.00 63.51 H new ATOM 1291 N GLN A 83 20.896 14.033 -23.742 1.00 64.32 N ATOM 1292 CA GLN A 83 21.741 14.371 -24.895 1.00 70.32 C ATOM 1293 C GLN A 83 23.123 13.713 -24.766 1.00 1.03 C ATOM 1294 O GLN A 83 23.620 13.086 -25.704 1.00 72.21 O ATOM 1295 CB GLN A 83 21.909 15.890 -25.017 1.00 13.23 C ATOM 1296 CG GLN A 83 20.613 16.641 -25.301 1.00 74.02 C ATOM 1297 CD GLN A 83 20.827 18.141 -25.400 1.00 11.32 C ATOM 1298 OE1 GLN A 83 20.744 18.827 -24.277 1.00 2.34 O flip ATOM 1299 NE2 GLN A 83 21.077 18.676 -26.475 1.00 61.13 N flip ATOM 0 H GLN A 83 20.601 14.836 -23.186 1.00 64.32 H new ATOM 0 HA GLN A 83 21.248 13.994 -25.791 1.00 70.32 H new ATOM 0 HB2 GLN A 83 22.342 16.272 -24.092 1.00 13.23 H new ATOM 0 HB3 GLN A 83 22.621 16.103 -25.814 1.00 13.23 H new ATOM 0 HG2 GLN A 83 20.180 16.276 -26.232 1.00 74.02 H new ATOM 0 HG3 GLN A 83 19.893 16.430 -24.511 1.00 74.02 H new ATOM 0 HE21 GLN A 83 21.133 18.113 -27.324 1.00 61.13 H new ATOM 0 HE22 GLN A 83 21.229 19.684 -26.520 1.00 61.13 H new ATOM 1308 N ASP A 84 23.725 13.854 -23.588 1.00 43.12 N ATOM 1309 CA ASP A 84 25.037 13.265 -23.301 1.00 25.22 C ATOM 1310 C ASP A 84 25.001 11.730 -23.429 1.00 2.11 C ATOM 1311 O ASP A 84 25.965 11.108 -23.887 1.00 73.11 O ATOM 1312 CB ASP A 84 25.482 13.673 -21.889 1.00 3.32 C ATOM 1313 CG ASP A 84 26.886 13.202 -21.560 1.00 12.11 C ATOM 1314 OD1 ASP A 84 27.856 13.840 -22.021 1.00 11.44 O ATOM 1315 OD2 ASP A 84 27.029 12.184 -20.854 1.00 71.12 O ATOM 0 H ASP A 84 23.324 14.375 -22.808 1.00 43.12 H new ATOM 0 HA ASP A 84 25.754 13.640 -24.032 1.00 25.22 H new ATOM 0 HB2 ASP A 84 25.436 14.758 -21.797 1.00 3.32 H new ATOM 0 HB3 ASP A 84 24.785 13.262 -21.159 1.00 3.32 H new ATOM 1320 N ALA A 85 23.879 11.135 -23.027 1.00 50.43 N ATOM 1321 CA ALA A 85 23.695 9.681 -23.083 1.00 60.43 C ATOM 1322 C ALA A 85 23.726 9.149 -24.525 1.00 42.41 C ATOM 1323 O ALA A 85 24.420 8.175 -24.819 1.00 44.22 O ATOM 1324 CB ALA A 85 22.388 9.293 -22.402 1.00 14.25 C ATOM 0 H ALA A 85 23.075 11.641 -22.655 1.00 50.43 H new ATOM 0 HA ALA A 85 24.530 9.223 -22.552 1.00 60.43 H new ATOM 0 HB1 ALA A 85 22.260 8.212 -22.449 1.00 14.25 H new ATOM 0 HB2 ALA A 85 22.413 9.611 -21.360 1.00 14.25 H new ATOM 0 HB3 ALA A 85 21.555 9.779 -22.910 1.00 14.25 H new ATOM 1330 N LYS A 86 22.973 9.786 -25.426 1.00 25.42 N ATOM 1331 CA LYS A 86 22.965 9.369 -26.836 1.00 50.20 C ATOM 1332 C LYS A 86 24.287 9.748 -27.526 1.00 35.52 C ATOM 1333 O LYS A 86 24.785 9.017 -28.379 1.00 74.42 O ATOM 1334 CB LYS A 86 21.775 9.986 -27.595 1.00 45.41 C ATOM 1335 CG LYS A 86 21.918 11.477 -27.888 1.00 41.32 C ATOM 1336 CD LYS A 86 20.718 12.023 -28.659 1.00 33.40 C ATOM 1337 CE LYS A 86 20.973 13.434 -29.181 1.00 12.11 C ATOM 1338 NZ LYS A 86 22.000 13.454 -30.260 1.00 72.10 N ATOM 0 H LYS A 86 22.369 10.580 -25.212 1.00 25.42 H new ATOM 0 HA LYS A 86 22.858 8.284 -26.857 1.00 50.20 H new ATOM 0 HB2 LYS A 86 21.646 9.454 -28.537 1.00 45.41 H new ATOM 0 HB3 LYS A 86 20.867 9.828 -27.013 1.00 45.41 H new ATOM 0 HG2 LYS A 86 22.026 12.023 -26.951 1.00 41.32 H new ATOM 0 HG3 LYS A 86 22.828 11.648 -28.463 1.00 41.32 H new ATOM 0 HD2 LYS A 86 20.492 11.362 -29.495 1.00 33.40 H new ATOM 0 HD3 LYS A 86 19.842 12.028 -28.011 1.00 33.40 H new ATOM 0 HE2 LYS A 86 20.041 13.854 -29.560 1.00 12.11 H new ATOM 0 HE3 LYS A 86 21.299 14.071 -28.359 1.00 12.11 H new ATOM 0 HZ1 LYS A 86 22.697 14.200 -30.062 1.00 72.10 H new ATOM 0 HZ2 LYS A 86 22.480 12.532 -30.299 1.00 72.10 H new ATOM 0 HZ3 LYS A 86 21.540 13.644 -31.173 1.00 72.10 H new ATOM 1352 N LEU A 87 24.854 10.890 -27.131 1.00 14.44 N ATOM 1353 CA LEU A 87 26.118 11.377 -27.697 1.00 51.55 C ATOM 1354 C LEU A 87 27.249 10.347 -27.534 1.00 71.31 C ATOM 1355 O LEU A 87 27.947 10.015 -28.496 1.00 74.21 O ATOM 1356 CB LEU A 87 26.517 12.699 -27.024 1.00 15.11 C ATOM 1357 CG LEU A 87 27.819 13.339 -27.537 1.00 63.33 C ATOM 1358 CD1 LEU A 87 27.700 13.712 -29.014 1.00 70.31 C ATOM 1359 CD2 LEU A 87 28.190 14.561 -26.697 1.00 53.34 C ATOM 0 H LEU A 87 24.456 11.500 -26.417 1.00 14.44 H new ATOM 0 HA LEU A 87 25.964 11.538 -28.764 1.00 51.55 H new ATOM 0 HB2 LEU A 87 25.705 13.414 -27.157 1.00 15.11 H new ATOM 0 HB3 LEU A 87 26.616 12.525 -25.953 1.00 15.11 H new ATOM 0 HG LEU A 87 28.617 12.603 -27.439 1.00 63.33 H new ATOM 0 HD11 LEU A 87 28.633 14.162 -29.352 1.00 70.31 H new ATOM 0 HD12 LEU A 87 27.496 12.816 -29.600 1.00 70.31 H new ATOM 0 HD13 LEU A 87 26.885 14.424 -29.145 1.00 70.31 H new ATOM 0 HD21 LEU A 87 29.114 14.997 -27.078 1.00 53.34 H new ATOM 0 HD22 LEU A 87 27.390 15.299 -26.754 1.00 53.34 H new ATOM 0 HD23 LEU A 87 28.332 14.260 -25.659 1.00 53.34 H new ATOM 1371 N LYS A 88 27.426 9.840 -26.313 1.00 73.31 N ATOM 1372 CA LYS A 88 28.466 8.841 -26.042 1.00 65.14 C ATOM 1373 C LYS A 88 28.224 7.550 -26.843 1.00 62.42 C ATOM 1374 O LYS A 88 29.160 6.804 -27.132 1.00 21.52 O ATOM 1375 CB LYS A 88 28.542 8.525 -24.540 1.00 3.13 C ATOM 1376 CG LYS A 88 27.279 7.887 -23.973 1.00 20.13 C ATOM 1377 CD LYS A 88 27.426 7.555 -22.492 1.00 33.32 C ATOM 1378 CE LYS A 88 26.152 6.943 -21.927 1.00 23.45 C ATOM 1379 NZ LYS A 88 25.765 5.704 -22.650 1.00 25.23 N ATOM 0 H LYS A 88 26.868 10.101 -25.500 1.00 73.31 H new ATOM 0 HA LYS A 88 29.418 9.266 -26.359 1.00 65.14 H new ATOM 0 HB2 LYS A 88 29.385 7.857 -24.363 1.00 3.13 H new ATOM 0 HB3 LYS A 88 28.746 9.447 -23.996 1.00 3.13 H new ATOM 0 HG2 LYS A 88 26.436 8.564 -24.111 1.00 20.13 H new ATOM 0 HG3 LYS A 88 27.051 6.977 -24.528 1.00 20.13 H new ATOM 0 HD2 LYS A 88 28.256 6.862 -22.354 1.00 33.32 H new ATOM 0 HD3 LYS A 88 27.672 8.461 -21.938 1.00 33.32 H new ATOM 0 HE2 LYS A 88 26.295 6.717 -20.870 1.00 23.45 H new ATOM 0 HE3 LYS A 88 25.341 7.669 -21.991 1.00 23.45 H new ATOM 0 HZ1 LYS A 88 25.483 4.975 -21.964 1.00 25.23 H new ATOM 0 HZ2 LYS A 88 24.968 5.908 -23.286 1.00 25.23 H new ATOM 0 HZ3 LYS A 88 26.573 5.360 -23.207 1.00 25.23 H new ATOM 1393 N ALA A 89 26.961 7.291 -27.192 1.00 72.42 N ATOM 1394 CA ALA A 89 26.603 6.144 -28.038 1.00 53.33 C ATOM 1395 C ALA A 89 26.978 6.404 -29.507 1.00 43.14 C ATOM 1396 O ALA A 89 27.501 5.523 -30.192 1.00 13.34 O ATOM 1397 CB ALA A 89 25.113 5.835 -27.914 1.00 62.13 C ATOM 0 H ALA A 89 26.166 7.860 -26.902 1.00 72.42 H new ATOM 0 HA ALA A 89 27.169 5.279 -27.693 1.00 53.33 H new ATOM 0 HB1 ALA A 89 24.864 4.983 -28.547 1.00 62.13 H new ATOM 0 HB2 ALA A 89 24.876 5.598 -26.877 1.00 62.13 H new ATOM 0 HB3 ALA A 89 24.534 6.703 -28.230 1.00 62.13 H new ATOM 1403 N GLU A 90 26.716 7.626 -29.976 1.00 43.20 N ATOM 1404 CA GLU A 90 27.072 8.039 -31.344 1.00 52.15 C ATOM 1405 C GLU A 90 28.592 7.974 -31.576 1.00 74.31 C ATOM 1406 O GLU A 90 29.055 7.752 -32.696 1.00 51.44 O ATOM 1407 CB GLU A 90 26.572 9.471 -31.616 1.00 53.21 C ATOM 1408 CG GLU A 90 25.053 9.633 -31.546 1.00 33.22 C ATOM 1409 CD GLU A 90 24.591 11.062 -31.822 1.00 51.20 C ATOM 1410 OE1 GLU A 90 24.711 11.516 -32.983 1.00 42.15 O ATOM 1411 OE2 GLU A 90 24.107 11.739 -30.884 1.00 65.41 O ATOM 0 H GLU A 90 26.256 8.353 -29.429 1.00 43.20 H new ATOM 0 HA GLU A 90 26.590 7.345 -32.032 1.00 52.15 H new ATOM 0 HB2 GLU A 90 27.031 10.146 -30.894 1.00 53.21 H new ATOM 0 HB3 GLU A 90 26.913 9.781 -32.604 1.00 53.21 H new ATOM 0 HG2 GLU A 90 24.588 8.961 -32.268 1.00 33.22 H new ATOM 0 HG3 GLU A 90 24.706 9.329 -30.558 1.00 33.22 H new ATOM 1418 N GLY A 91 29.360 8.179 -30.506 1.00 2.32 N ATOM 1419 CA GLY A 91 30.816 8.155 -30.598 1.00 2.24 C ATOM 1420 C GLY A 91 31.429 6.757 -30.477 1.00 35.00 C ATOM 1421 O GLY A 91 32.643 6.598 -30.636 1.00 33.14 O ATOM 0 H GLY A 91 28.998 8.363 -29.570 1.00 2.32 H new ATOM 0 HA2 GLY A 91 31.116 8.590 -31.551 1.00 2.24 H new ATOM 0 HA3 GLY A 91 31.229 8.790 -29.814 1.00 2.24 H new ATOM 1425 N LEU A 92 30.604 5.747 -30.193 1.00 53.14 N ATOM 1426 CA LEU A 92 31.088 4.361 -30.066 1.00 40.43 C ATOM 1427 C LEU A 92 31.525 3.790 -31.423 1.00 61.43 C ATOM 1428 O LEU A 92 32.713 3.541 -31.653 1.00 13.54 O ATOM 1429 CB LEU A 92 30.010 3.463 -29.438 1.00 31.13 C ATOM 1430 CG LEU A 92 29.725 3.727 -27.950 1.00 24.31 C ATOM 1431 CD1 LEU A 92 28.619 2.807 -27.437 1.00 65.41 C ATOM 1432 CD2 LEU A 92 30.998 3.551 -27.123 1.00 41.54 C ATOM 0 H LEU A 92 29.601 5.857 -30.046 1.00 53.14 H new ATOM 0 HA LEU A 92 31.959 4.379 -29.410 1.00 40.43 H new ATOM 0 HB2 LEU A 92 29.083 3.590 -29.997 1.00 31.13 H new ATOM 0 HB3 LEU A 92 30.313 2.423 -29.555 1.00 31.13 H new ATOM 0 HG LEU A 92 29.384 4.757 -27.845 1.00 24.31 H new ATOM 0 HD11 LEU A 92 28.435 3.012 -26.382 1.00 65.41 H new ATOM 0 HD12 LEU A 92 27.706 2.983 -28.006 1.00 65.41 H new ATOM 0 HD13 LEU A 92 28.926 1.768 -27.556 1.00 65.41 H new ATOM 0 HD21 LEU A 92 30.779 3.742 -26.072 1.00 41.54 H new ATOM 0 HD22 LEU A 92 31.368 2.532 -27.237 1.00 41.54 H new ATOM 0 HD23 LEU A 92 31.756 4.254 -27.468 1.00 41.54 H new ATOM 1444 N GLU A 93 30.567 3.575 -32.319 1.00 3.21 N ATOM 1445 CA GLU A 93 30.881 3.093 -33.664 1.00 32.01 C ATOM 1446 C GLU A 93 31.374 4.246 -34.549 1.00 53.21 C ATOM 1447 O GLU A 93 30.626 5.166 -34.873 1.00 73.13 O ATOM 1448 CB GLU A 93 29.665 2.395 -34.298 1.00 14.23 C ATOM 1449 CG GLU A 93 28.402 3.250 -34.372 1.00 61.03 C ATOM 1450 CD GLU A 93 27.258 2.530 -35.066 1.00 64.25 C ATOM 1451 OE1 GLU A 93 26.592 1.693 -34.414 1.00 63.32 O ATOM 1452 OE2 GLU A 93 27.027 2.783 -36.269 1.00 33.24 O ATOM 0 H GLU A 93 29.574 3.725 -32.143 1.00 3.21 H new ATOM 0 HA GLU A 93 31.682 2.358 -33.583 1.00 32.01 H new ATOM 0 HB2 GLU A 93 29.931 2.077 -35.306 1.00 14.23 H new ATOM 0 HB3 GLU A 93 29.443 1.493 -33.727 1.00 14.23 H new ATOM 0 HG2 GLU A 93 28.095 3.528 -33.364 1.00 61.03 H new ATOM 0 HG3 GLU A 93 28.623 4.175 -34.905 1.00 61.03 H new ATOM 1459 N HIS A 94 32.649 4.199 -34.926 1.00 14.44 N ATOM 1460 CA HIS A 94 33.236 5.257 -35.759 1.00 13.13 C ATOM 1461 C HIS A 94 32.692 5.210 -37.200 1.00 44.31 C ATOM 1462 O HIS A 94 32.001 4.265 -37.587 1.00 55.41 O ATOM 1463 CB HIS A 94 34.780 5.217 -35.725 1.00 64.53 C ATOM 1464 CG HIS A 94 35.370 3.873 -35.423 1.00 15.04 C ATOM 1465 ND1 HIS A 94 35.700 2.954 -36.391 1.00 24.10 N ATOM 1466 CD2 HIS A 94 35.698 3.299 -34.240 1.00 1.15 C ATOM 1467 CE1 HIS A 94 36.201 1.877 -35.823 1.00 72.24 C ATOM 1468 NE2 HIS A 94 36.212 2.061 -34.520 1.00 2.52 N ATOM 0 H HIS A 94 33.294 3.450 -34.674 1.00 14.44 H new ATOM 0 HA HIS A 94 32.932 6.213 -35.333 1.00 13.13 H new ATOM 0 HB2 HIS A 94 35.159 5.556 -36.689 1.00 64.53 H new ATOM 0 HB3 HIS A 94 35.131 5.928 -34.977 1.00 64.53 H new ATOM 0 HD2 HIS A 94 35.577 3.736 -33.260 1.00 1.15 H new ATOM 0 HE1 HIS A 94 36.545 0.993 -36.339 1.00 72.24 H new ATOM 0 HE2 HIS A 94 36.549 1.390 -33.830 1.00 2.52 H new ATOM 1477 N HIS A 95 33.020 6.238 -37.984 1.00 45.24 N ATOM 1478 CA HIS A 95 32.373 6.493 -39.281 1.00 75.24 C ATOM 1479 C HIS A 95 30.900 6.893 -39.081 1.00 41.14 C ATOM 1480 O HIS A 95 30.609 8.065 -38.884 1.00 45.12 O ATOM 1481 CB HIS A 95 32.467 5.289 -40.238 1.00 44.33 C ATOM 1482 CG HIS A 95 33.865 4.906 -40.621 1.00 21.25 C ATOM 1483 ND1 HIS A 95 34.389 3.652 -40.393 1.00 73.35 N ATOM 1484 CD2 HIS A 95 34.838 5.603 -41.256 1.00 12.13 C ATOM 1485 CE1 HIS A 95 35.616 3.594 -40.865 1.00 71.01 C ATOM 1486 NE2 HIS A 95 35.916 4.761 -41.395 1.00 72.24 N ATOM 0 H HIS A 95 33.740 6.919 -37.742 1.00 45.24 H new ATOM 0 HA HIS A 95 32.915 7.318 -39.744 1.00 75.24 H new ATOM 0 HB2 HIS A 95 31.984 4.431 -39.770 1.00 44.33 H new ATOM 0 HB3 HIS A 95 31.905 5.516 -41.144 1.00 44.33 H new ATOM 0 HD2 HIS A 95 34.778 6.628 -41.590 1.00 12.13 H new ATOM 0 HE1 HIS A 95 36.267 2.734 -40.824 1.00 71.01 H new ATOM 0 HE2 HIS A 95 36.803 5.001 -41.837 1.00 72.24 H new ATOM 1495 N HIS A 96 30.008 5.885 -39.066 1.00 11.53 N ATOM 1496 CA HIS A 96 28.530 6.035 -38.964 1.00 21.53 C ATOM 1497 C HIS A 96 27.927 7.226 -39.765 1.00 1.21 C ATOM 1498 O HIS A 96 27.080 7.008 -40.631 1.00 22.45 O ATOM 1499 CB HIS A 96 28.055 6.025 -37.493 1.00 71.43 C ATOM 1500 CG HIS A 96 28.444 7.208 -36.657 1.00 25.23 C ATOM 1501 ND1 HIS A 96 27.541 8.168 -36.263 1.00 52.55 N ATOM 1502 CD2 HIS A 96 29.622 7.556 -36.088 1.00 5.02 C ATOM 1503 CE1 HIS A 96 28.139 9.048 -35.491 1.00 52.42 C ATOM 1504 NE2 HIS A 96 29.401 8.703 -35.370 1.00 24.44 N ATOM 0 H HIS A 96 30.298 4.909 -39.126 1.00 11.53 H new ATOM 0 HA HIS A 96 28.129 5.151 -39.460 1.00 21.53 H new ATOM 0 HB2 HIS A 96 26.968 5.945 -37.486 1.00 71.43 H new ATOM 0 HB3 HIS A 96 28.444 5.126 -37.015 1.00 71.43 H new ATOM 0 HD2 HIS A 96 30.560 7.029 -36.182 1.00 5.02 H new ATOM 0 HE1 HIS A 96 27.672 9.908 -35.034 1.00 52.42 H new ATOM 0 HE2 HIS A 96 30.103 9.207 -34.829 1.00 24.44 H new ATOM 1513 N HIS A 97 28.332 8.467 -39.460 1.00 50.43 N ATOM 1514 CA HIS A 97 27.891 9.661 -40.212 1.00 55.24 C ATOM 1515 C HIS A 97 27.840 9.421 -41.732 1.00 60.35 C ATOM 1516 O HIS A 97 28.840 9.042 -42.344 1.00 62.42 O ATOM 1517 CB HIS A 97 28.843 10.843 -39.958 1.00 61.20 C ATOM 1518 CG HIS A 97 28.849 11.357 -38.553 1.00 43.24 C ATOM 1519 ND1 HIS A 97 27.875 12.200 -38.061 1.00 72.23 N ATOM 1520 CD2 HIS A 97 29.728 11.169 -37.537 1.00 3.13 C ATOM 1521 CE1 HIS A 97 28.151 12.507 -36.810 1.00 23.13 C ATOM 1522 NE2 HIS A 97 29.266 11.895 -36.468 1.00 42.04 N ATOM 0 H HIS A 97 28.970 8.676 -38.692 1.00 50.43 H new ATOM 0 HA HIS A 97 26.885 9.883 -39.855 1.00 55.24 H new ATOM 0 HB2 HIS A 97 29.856 10.538 -40.222 1.00 61.20 H new ATOM 0 HB3 HIS A 97 28.571 11.660 -40.627 1.00 61.20 H new ATOM 0 HD2 HIS A 97 30.622 10.563 -37.564 1.00 3.13 H new ATOM 0 HE1 HIS A 97 27.563 13.151 -36.173 1.00 23.13 H new ATOM 0 HE2 HIS A 97 29.715 11.952 -35.554 1.00 42.04 H new ATOM 1531 N HIS A 98 26.680 9.660 -42.339 1.00 23.05 N ATOM 1532 CA HIS A 98 26.553 9.632 -43.801 1.00 73.32 C ATOM 1533 C HIS A 98 27.057 10.966 -44.389 1.00 14.20 C ATOM 1534 O HIS A 98 26.330 11.665 -45.099 1.00 41.11 O ATOM 1535 CB HIS A 98 25.088 9.374 -44.189 1.00 50.54 C ATOM 1536 CG HIS A 98 24.879 9.051 -45.640 1.00 4.33 C ATOM 1537 ND1 HIS A 98 24.511 9.987 -46.583 1.00 12.20 N ATOM 1538 CD2 HIS A 98 24.971 7.876 -46.306 1.00 32.14 C ATOM 1539 CE1 HIS A 98 24.387 9.405 -47.758 1.00 12.15 C ATOM 1540 NE2 HIS A 98 24.661 8.127 -47.618 1.00 13.41 N ATOM 0 H HIS A 98 25.814 9.875 -41.846 1.00 23.05 H new ATOM 0 HA HIS A 98 27.161 8.825 -44.210 1.00 73.32 H new ATOM 0 HB2 HIS A 98 24.705 8.550 -43.587 1.00 50.54 H new ATOM 0 HB3 HIS A 98 24.497 10.255 -43.936 1.00 50.54 H new ATOM 0 HD2 HIS A 98 25.239 6.919 -45.883 1.00 32.14 H new ATOM 0 HE1 HIS A 98 24.108 9.894 -48.679 1.00 12.15 H new ATOM 0 HE2 HIS A 98 24.646 7.433 -48.366 1.00 13.41 H new ATOM 1549 N HIS A 99 28.327 11.279 -44.093 1.00 0.54 N ATOM 1550 CA HIS A 99 28.921 12.604 -44.347 1.00 12.32 C ATOM 1551 C HIS A 99 28.304 13.679 -43.423 1.00 41.50 C ATOM 1552 O HIS A 99 27.285 14.300 -43.803 1.00 37.78 O ATOM 1553 CB HIS A 99 28.785 13.016 -45.825 1.00 3.04 C ATOM 1554 CG HIS A 99 29.341 14.381 -46.124 1.00 50.02 C ATOM 1555 ND1 HIS A 99 28.651 15.544 -45.853 1.00 73.33 N ATOM 1556 CD2 HIS A 99 30.524 14.771 -46.656 1.00 23.32 C ATOM 1557 CE1 HIS A 99 29.376 16.581 -46.205 1.00 55.33 C ATOM 1558 NE2 HIS A 99 30.515 16.144 -46.693 1.00 12.04 N ATOM 1559 OXT HIS A 99 28.841 13.895 -42.313 1.00 37.78 O ATOM 0 H HIS A 99 28.977 10.617 -43.668 1.00 0.54 H new ATOM 0 HA HIS A 99 29.984 12.528 -44.121 1.00 12.32 H new ATOM 0 HB2 HIS A 99 29.296 12.281 -46.447 1.00 3.04 H new ATOM 0 HB3 HIS A 99 27.732 12.993 -46.104 1.00 3.04 H new ATOM 0 HD1 HIS A 99 27.719 15.592 -45.442 1.00 73.33 H new ATOM 0 HD2 HIS A 99 31.323 14.125 -46.988 1.00 23.32 H new ATOM 0 HE1 HIS A 99 29.085 17.617 -46.110 1.00 55.33 H new TER 1568 HIS A 99