USER MOD reduce.3.24.130724 H: found=0, std=0, add=645, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 645 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 21 ASN :FLIP amide:sc= 0.245 F(o=-0.51,f=1.3) USER MOD Set 1.2: A 67 THR OG1 : rot 76:sc= 1.02 USER MOD Set 2.1: A 44 SER OG : rot 180:sc= 0.0684 USER MOD Set 2.2: A 46 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 28 CYS SG : rot -27:sc=-0.00559 USER MOD Set 3.2: A 31 HIS :FLIP no HD1:sc= 0.802 F(o=-2.5,f=0.8) USER MOD Set 4.1: A 11 SER OG : rot 68:sc= 0.102 USER MOD Set 4.2: A 49 TYR OH : rot -117:sc= 1.35 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ -141:sc= 2.45 (180deg=0.801!) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 23 ASN : amide:sc= -0.825 K(o=-0.82,f=-2) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 HIS : no HD1:sc= -0.0719 X(o=-0.072,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 151:sc= 0.395 (180deg=-1.35!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 HIS : no HD1:sc= 0.908 K(o=0.91,f=-3.7!) USER MOD Single : A 43 HIS : no HD1:sc= -0.092 X(o=-0.092,f=-0.44) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot -56:sc= 0.434 USER MOD Single : A 55 THR OG1 : rot -76:sc= 1.1 USER MOD Single : A 59 THR OG1 : rot -30:sc= 0.155 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 168:sc= 1.23 (180deg=1.15) USER MOD Single : A 64 HIS : no HE2:sc= 1.11 K(o=1.1,f=-6.1!) USER MOD Single : A 70 LYS NZ :NH3+ 171:sc=-0.00494 (180deg=-0.119) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HE2:sc= -0.284 K(o=-0.28,f=-2.7!) USER MOD Single : A 80 HIS : no HE2:sc= 0.326 K(o=0.33,f=-4.7!) USER MOD Single : A 81 HIS :FLIP no HD1:sc= -0.203 F(o=-2.1!,f=-0.2) USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=-0.0011) USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 68.159 -32.958 1.826 1.00 0.00 N ATOM 2 CA MET A 1 68.894 -32.323 0.712 1.00 0.00 C ATOM 3 C MET A 1 68.487 -32.951 -0.613 1.00 0.00 C ATOM 4 O MET A 1 68.753 -34.126 -0.863 1.00 0.00 O ATOM 5 CB MET A 1 70.404 -32.470 0.912 1.00 0.00 C ATOM 6 CG MET A 1 71.228 -31.714 -0.118 1.00 0.00 C ATOM 7 SD MET A 1 73.004 -31.897 0.136 1.00 0.00 S ATOM 8 CE MET A 1 73.636 -30.790 -1.125 1.00 0.00 C ATOM 0 H1 MET A 1 68.446 -32.521 2.725 1.00 0.00 H new ATOM 0 H2 MET A 1 67.137 -32.826 1.687 1.00 0.00 H new ATOM 0 H3 MET A 1 68.377 -33.975 1.851 1.00 0.00 H new ATOM 0 HA MET A 1 68.643 -31.262 0.697 1.00 0.00 H new ATOM 0 HB2 MET A 1 70.667 -32.114 1.908 1.00 0.00 H new ATOM 0 HB3 MET A 1 70.667 -33.527 0.871 1.00 0.00 H new ATOM 0 HG2 MET A 1 70.970 -32.070 -1.115 1.00 0.00 H new ATOM 0 HG3 MET A 1 70.967 -30.656 -0.080 1.00 0.00 H new ATOM 0 HE1 MET A 1 74.726 -30.791 -1.097 1.00 0.00 H new ATOM 0 HE2 MET A 1 73.298 -31.125 -2.106 1.00 0.00 H new ATOM 0 HE3 MET A 1 73.269 -29.780 -0.940 1.00 0.00 H new ATOM 20 N ALA A 2 67.837 -32.166 -1.459 1.00 0.00 N ATOM 21 CA ALA A 2 67.400 -32.638 -2.766 1.00 0.00 C ATOM 22 C ALA A 2 67.769 -31.628 -3.839 1.00 0.00 C ATOM 23 O ALA A 2 67.165 -31.580 -4.909 1.00 0.00 O ATOM 24 CB ALA A 2 65.898 -32.895 -2.762 1.00 0.00 C ATOM 0 H ALA A 2 67.599 -31.194 -1.263 1.00 0.00 H new ATOM 0 HA ALA A 2 67.907 -33.577 -2.988 1.00 0.00 H new ATOM 0 HB1 ALA A 2 65.587 -33.247 -3.745 1.00 0.00 H new ATOM 0 HB2 ALA A 2 65.660 -33.651 -2.014 1.00 0.00 H new ATOM 0 HB3 ALA A 2 65.371 -31.971 -2.524 1.00 0.00 H new ATOM 30 N GLY A 3 68.786 -30.836 -3.547 1.00 0.00 N ATOM 31 CA GLY A 3 69.195 -29.787 -4.450 1.00 0.00 C ATOM 32 C GLY A 3 68.997 -28.419 -3.832 1.00 0.00 C ATOM 33 O GLY A 3 68.161 -28.258 -2.941 1.00 0.00 O ATOM 0 H GLY A 3 69.339 -30.903 -2.693 1.00 0.00 H new ATOM 0 HA2 GLY A 3 70.244 -29.920 -4.714 1.00 0.00 H new ATOM 0 HA3 GLY A 3 68.622 -29.857 -5.375 1.00 0.00 H new ATOM 37 N ASP A 4 69.770 -27.447 -4.288 1.00 0.00 N ATOM 38 CA ASP A 4 69.663 -26.079 -3.792 1.00 0.00 C ATOM 39 C ASP A 4 68.494 -25.361 -4.464 1.00 0.00 C ATOM 40 O ASP A 4 68.545 -25.063 -5.654 1.00 0.00 O ATOM 41 CB ASP A 4 70.970 -25.321 -4.037 1.00 0.00 C ATOM 42 CG ASP A 4 70.878 -23.855 -3.662 1.00 0.00 C ATOM 43 OD1 ASP A 4 70.525 -23.554 -2.506 1.00 0.00 O ATOM 44 OD2 ASP A 4 71.178 -23.002 -4.522 1.00 0.00 O ATOM 0 H ASP A 4 70.483 -27.578 -5.005 1.00 0.00 H new ATOM 0 HA ASP A 4 69.478 -26.111 -2.718 1.00 0.00 H new ATOM 0 HB2 ASP A 4 71.769 -25.789 -3.462 1.00 0.00 H new ATOM 0 HB3 ASP A 4 71.242 -25.406 -5.089 1.00 0.00 H new ATOM 49 N PRO A 5 67.415 -25.106 -3.711 1.00 0.00 N ATOM 50 CA PRO A 5 66.196 -24.521 -4.233 1.00 0.00 C ATOM 51 C PRO A 5 66.058 -23.029 -3.933 1.00 0.00 C ATOM 52 O PRO A 5 64.960 -22.485 -4.053 1.00 0.00 O ATOM 53 CB PRO A 5 65.143 -25.300 -3.454 1.00 0.00 C ATOM 54 CG PRO A 5 65.766 -25.543 -2.110 1.00 0.00 C ATOM 55 CD PRO A 5 67.264 -25.407 -2.281 1.00 0.00 C ATOM 0 HA PRO A 5 66.135 -24.584 -5.319 1.00 0.00 H new ATOM 0 HB2 PRO A 5 64.217 -24.733 -3.364 1.00 0.00 H new ATOM 0 HB3 PRO A 5 64.896 -26.238 -3.951 1.00 0.00 H new ATOM 0 HG2 PRO A 5 65.395 -24.825 -1.378 1.00 0.00 H new ATOM 0 HG3 PRO A 5 65.509 -26.536 -1.741 1.00 0.00 H new ATOM 0 HD2 PRO A 5 67.669 -24.610 -1.657 1.00 0.00 H new ATOM 0 HD3 PRO A 5 67.785 -26.324 -2.006 1.00 0.00 H new ATOM 63 N LEU A 6 67.167 -22.386 -3.548 1.00 0.00 N ATOM 64 CA LEU A 6 67.159 -20.978 -3.129 1.00 0.00 C ATOM 65 C LEU A 6 66.507 -20.080 -4.184 1.00 0.00 C ATOM 66 O LEU A 6 67.091 -19.818 -5.235 1.00 0.00 O ATOM 67 CB LEU A 6 68.588 -20.499 -2.852 1.00 0.00 C ATOM 68 CG LEU A 6 68.708 -19.053 -2.366 1.00 0.00 C ATOM 69 CD1 LEU A 6 68.005 -18.876 -1.030 1.00 0.00 C ATOM 70 CD2 LEU A 6 70.168 -18.648 -2.262 1.00 0.00 C ATOM 0 H LEU A 6 68.089 -22.822 -3.518 1.00 0.00 H new ATOM 0 HA LEU A 6 66.569 -20.910 -2.215 1.00 0.00 H new ATOM 0 HB2 LEU A 6 69.035 -21.155 -2.105 1.00 0.00 H new ATOM 0 HB3 LEU A 6 69.174 -20.609 -3.764 1.00 0.00 H new ATOM 0 HG LEU A 6 68.222 -18.404 -3.094 1.00 0.00 H new ATOM 0 HD11 LEU A 6 68.102 -17.841 -0.702 1.00 0.00 H new ATOM 0 HD12 LEU A 6 66.949 -19.125 -1.139 1.00 0.00 H new ATOM 0 HD13 LEU A 6 68.459 -19.535 -0.290 1.00 0.00 H new ATOM 0 HD21 LEU A 6 70.236 -17.617 -1.915 1.00 0.00 H new ATOM 0 HD22 LEU A 6 70.678 -19.303 -1.555 1.00 0.00 H new ATOM 0 HD23 LEU A 6 70.640 -18.733 -3.241 1.00 0.00 H new ATOM 82 N PRO A 7 65.278 -19.609 -3.918 1.00 0.00 N ATOM 83 CA PRO A 7 64.501 -18.830 -4.867 1.00 0.00 C ATOM 84 C PRO A 7 64.541 -17.322 -4.608 1.00 0.00 C ATOM 85 O PRO A 7 63.927 -16.543 -5.341 1.00 0.00 O ATOM 86 CB PRO A 7 63.098 -19.374 -4.614 1.00 0.00 C ATOM 87 CG PRO A 7 63.071 -19.718 -3.151 1.00 0.00 C ATOM 88 CD PRO A 7 64.508 -19.838 -2.687 1.00 0.00 C ATOM 0 HA PRO A 7 64.871 -18.926 -5.888 1.00 0.00 H new ATOM 0 HB2 PRO A 7 62.337 -18.633 -4.859 1.00 0.00 H new ATOM 0 HB3 PRO A 7 62.898 -20.251 -5.229 1.00 0.00 H new ATOM 0 HG2 PRO A 7 62.548 -18.947 -2.585 1.00 0.00 H new ATOM 0 HG3 PRO A 7 62.535 -20.653 -2.986 1.00 0.00 H new ATOM 0 HD2 PRO A 7 64.746 -19.101 -1.920 1.00 0.00 H new ATOM 0 HD3 PRO A 7 64.713 -20.820 -2.261 1.00 0.00 H new ATOM 96 N LYS A 8 65.256 -16.908 -3.574 1.00 0.00 N ATOM 97 CA LYS A 8 65.287 -15.504 -3.196 1.00 0.00 C ATOM 98 C LYS A 8 66.706 -14.969 -3.242 1.00 0.00 C ATOM 99 O LYS A 8 67.599 -15.504 -2.585 1.00 0.00 O ATOM 100 CB LYS A 8 64.711 -15.310 -1.790 1.00 0.00 C ATOM 101 CG LYS A 8 64.400 -13.856 -1.457 1.00 0.00 C ATOM 102 CD LYS A 8 64.984 -13.436 -0.114 1.00 0.00 C ATOM 103 CE LYS A 8 66.490 -13.230 -0.199 1.00 0.00 C ATOM 104 NZ LYS A 8 67.070 -12.827 1.106 1.00 0.00 N ATOM 0 H LYS A 8 65.820 -17.520 -2.984 1.00 0.00 H new ATOM 0 HA LYS A 8 64.676 -14.951 -3.909 1.00 0.00 H new ATOM 0 HB2 LYS A 8 63.799 -15.900 -1.695 1.00 0.00 H new ATOM 0 HB3 LYS A 8 65.420 -15.699 -1.059 1.00 0.00 H new ATOM 0 HG2 LYS A 8 64.798 -13.212 -2.242 1.00 0.00 H new ATOM 0 HG3 LYS A 8 63.320 -13.711 -1.443 1.00 0.00 H new ATOM 0 HD2 LYS A 8 64.508 -12.513 0.218 1.00 0.00 H new ATOM 0 HD3 LYS A 8 64.762 -14.197 0.634 1.00 0.00 H new ATOM 0 HE2 LYS A 8 66.964 -14.152 -0.537 1.00 0.00 H new ATOM 0 HE3 LYS A 8 66.710 -12.466 -0.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 67.809 -12.112 0.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 66.323 -12.428 1.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 67.485 -13.658 1.573 1.00 0.00 H new ATOM 118 N TYR A 9 66.911 -13.916 -4.019 1.00 0.00 N ATOM 119 CA TYR A 9 68.195 -13.242 -4.064 1.00 0.00 C ATOM 120 C TYR A 9 68.034 -11.754 -3.790 1.00 0.00 C ATOM 121 O TYR A 9 68.246 -11.298 -2.670 1.00 0.00 O ATOM 122 CB TYR A 9 68.882 -13.460 -5.415 1.00 0.00 C ATOM 123 CG TYR A 9 69.660 -14.751 -5.497 1.00 0.00 C ATOM 124 CD1 TYR A 9 70.995 -14.791 -5.123 1.00 0.00 C ATOM 125 CD2 TYR A 9 69.065 -15.926 -5.945 1.00 0.00 C ATOM 126 CE1 TYR A 9 71.720 -15.963 -5.193 1.00 0.00 C ATOM 127 CE2 TYR A 9 69.785 -17.104 -6.017 1.00 0.00 C ATOM 128 CZ TYR A 9 71.113 -17.115 -5.640 1.00 0.00 C ATOM 129 OH TYR A 9 71.834 -18.284 -5.706 1.00 0.00 O ATOM 0 H TYR A 9 66.200 -13.510 -4.628 1.00 0.00 H new ATOM 0 HA TYR A 9 68.824 -13.673 -3.285 1.00 0.00 H new ATOM 0 HB2 TYR A 9 68.128 -13.449 -6.202 1.00 0.00 H new ATOM 0 HB3 TYR A 9 69.557 -12.626 -5.609 1.00 0.00 H new ATOM 0 HD1 TYR A 9 71.475 -13.890 -4.771 1.00 0.00 H new ATOM 0 HD2 TYR A 9 68.026 -15.918 -6.241 1.00 0.00 H new ATOM 0 HE1 TYR A 9 72.759 -15.977 -4.898 1.00 0.00 H new ATOM 0 HE2 TYR A 9 69.312 -18.010 -6.366 1.00 0.00 H new ATOM 0 HH TYR A 9 71.260 -19.004 -6.041 1.00 0.00 H new ATOM 139 N TRP A 10 67.617 -11.009 -4.804 1.00 0.00 N ATOM 140 CA TRP A 10 67.557 -9.559 -4.704 1.00 0.00 C ATOM 141 C TRP A 10 66.216 -9.044 -5.203 1.00 0.00 C ATOM 142 O TRP A 10 65.898 -9.160 -6.388 1.00 0.00 O ATOM 143 CB TRP A 10 68.696 -8.926 -5.512 1.00 0.00 C ATOM 144 CG TRP A 10 70.024 -9.567 -5.257 1.00 0.00 C ATOM 145 CD1 TRP A 10 70.753 -9.508 -4.106 1.00 0.00 C ATOM 146 CD2 TRP A 10 70.779 -10.368 -6.172 1.00 0.00 C ATOM 147 NE1 TRP A 10 71.911 -10.229 -4.248 1.00 0.00 N ATOM 148 CE2 TRP A 10 71.954 -10.762 -5.507 1.00 0.00 C ATOM 149 CE3 TRP A 10 70.578 -10.788 -7.488 1.00 0.00 C ATOM 150 CZ2 TRP A 10 72.921 -11.558 -6.113 1.00 0.00 C ATOM 151 CZ3 TRP A 10 71.540 -11.578 -8.090 1.00 0.00 C ATOM 152 CH2 TRP A 10 72.698 -11.955 -7.401 1.00 0.00 C ATOM 0 H TRP A 10 67.316 -11.384 -5.703 1.00 0.00 H new ATOM 0 HA TRP A 10 67.668 -9.281 -3.656 1.00 0.00 H new ATOM 0 HB2 TRP A 10 68.463 -8.997 -6.574 1.00 0.00 H new ATOM 0 HB3 TRP A 10 68.759 -7.865 -5.270 1.00 0.00 H new ATOM 0 HD1 TRP A 10 70.462 -8.973 -3.214 1.00 0.00 H new ATOM 0 HE1 TRP A 10 72.626 -10.349 -3.530 1.00 0.00 H new ATOM 0 HE3 TRP A 10 69.687 -10.501 -8.026 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 73.816 -11.851 -5.584 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 71.395 -11.909 -9.108 1.00 0.00 H new ATOM 0 HH2 TRP A 10 73.431 -12.573 -7.898 1.00 0.00 H new ATOM 163 N SER A 11 65.439 -8.475 -4.301 1.00 0.00 N ATOM 164 CA SER A 11 64.143 -7.927 -4.647 1.00 0.00 C ATOM 165 C SER A 11 64.269 -6.455 -5.022 1.00 0.00 C ATOM 166 O SER A 11 63.596 -5.971 -5.934 1.00 0.00 O ATOM 167 CB SER A 11 63.182 -8.100 -3.468 1.00 0.00 C ATOM 168 OG SER A 11 63.809 -7.739 -2.245 1.00 0.00 O ATOM 0 H SER A 11 65.686 -8.380 -3.316 1.00 0.00 H new ATOM 0 HA SER A 11 63.748 -8.464 -5.510 1.00 0.00 H new ATOM 0 HB2 SER A 11 62.296 -7.484 -3.623 1.00 0.00 H new ATOM 0 HB3 SER A 11 62.846 -9.136 -3.417 1.00 0.00 H new ATOM 0 HG SER A 11 63.981 -6.774 -2.238 1.00 0.00 H new ATOM 174 N TYR A 12 65.165 -5.760 -4.335 1.00 0.00 N ATOM 175 CA TYR A 12 65.326 -4.326 -4.514 1.00 0.00 C ATOM 176 C TYR A 12 66.435 -4.021 -5.517 1.00 0.00 C ATOM 177 O TYR A 12 67.568 -4.484 -5.364 1.00 0.00 O ATOM 178 CB TYR A 12 65.617 -3.663 -3.168 1.00 0.00 C ATOM 179 CG TYR A 12 64.563 -3.965 -2.128 1.00 0.00 C ATOM 180 CD1 TYR A 12 63.249 -3.556 -2.310 1.00 0.00 C ATOM 181 CD2 TYR A 12 64.875 -4.674 -0.975 1.00 0.00 C ATOM 182 CE1 TYR A 12 62.275 -3.842 -1.373 1.00 0.00 C ATOM 183 CE2 TYR A 12 63.906 -4.969 -0.034 1.00 0.00 C ATOM 184 CZ TYR A 12 62.607 -4.549 -0.236 1.00 0.00 C ATOM 185 OH TYR A 12 61.636 -4.838 0.695 1.00 0.00 O ATOM 0 H TYR A 12 65.794 -6.170 -3.645 1.00 0.00 H new ATOM 0 HA TYR A 12 64.397 -3.920 -4.913 1.00 0.00 H new ATOM 0 HB2 TYR A 12 66.588 -4.000 -2.804 1.00 0.00 H new ATOM 0 HB3 TYR A 12 65.686 -2.584 -3.307 1.00 0.00 H new ATOM 0 HD1 TYR A 12 62.983 -3.004 -3.200 1.00 0.00 H new ATOM 0 HD2 TYR A 12 65.891 -5.000 -0.811 1.00 0.00 H new ATOM 0 HE1 TYR A 12 61.258 -3.514 -1.530 1.00 0.00 H new ATOM 0 HE2 TYR A 12 64.164 -5.525 0.855 1.00 0.00 H new ATOM 0 HH TYR A 12 62.033 -5.342 1.436 1.00 0.00 H new ATOM 195 N PRO A 13 66.114 -3.247 -6.568 1.00 0.00 N ATOM 196 CA PRO A 13 67.074 -2.883 -7.617 1.00 0.00 C ATOM 197 C PRO A 13 68.170 -1.948 -7.109 1.00 0.00 C ATOM 198 O PRO A 13 68.056 -1.360 -6.030 1.00 0.00 O ATOM 199 CB PRO A 13 66.217 -2.163 -8.670 1.00 0.00 C ATOM 200 CG PRO A 13 64.802 -2.456 -8.307 1.00 0.00 C ATOM 201 CD PRO A 13 64.790 -2.668 -6.824 1.00 0.00 C ATOM 0 HA PRO A 13 67.595 -3.761 -7.999 1.00 0.00 H new ATOM 0 HB2 PRO A 13 66.409 -1.090 -8.664 1.00 0.00 H new ATOM 0 HB3 PRO A 13 66.446 -2.522 -9.673 1.00 0.00 H new ATOM 0 HG2 PRO A 13 64.148 -1.630 -8.588 1.00 0.00 H new ATOM 0 HG3 PRO A 13 64.440 -3.341 -8.830 1.00 0.00 H new ATOM 0 HD2 PRO A 13 64.646 -1.733 -6.283 1.00 0.00 H new ATOM 0 HD3 PRO A 13 63.988 -3.340 -6.518 1.00 0.00 H new ATOM 209 N VAL A 14 69.227 -1.820 -7.897 1.00 0.00 N ATOM 210 CA VAL A 14 70.333 -0.928 -7.578 1.00 0.00 C ATOM 211 C VAL A 14 69.929 0.524 -7.823 1.00 0.00 C ATOM 212 O VAL A 14 69.258 0.831 -8.812 1.00 0.00 O ATOM 213 CB VAL A 14 71.576 -1.273 -8.428 1.00 0.00 C ATOM 214 CG1 VAL A 14 72.708 -0.289 -8.178 1.00 0.00 C ATOM 215 CG2 VAL A 14 72.037 -2.693 -8.143 1.00 0.00 C ATOM 0 H VAL A 14 69.343 -2.330 -8.773 1.00 0.00 H new ATOM 0 HA VAL A 14 70.582 -1.058 -6.525 1.00 0.00 H new ATOM 0 HB VAL A 14 71.293 -1.199 -9.478 1.00 0.00 H new ATOM 0 HG11 VAL A 14 73.568 -0.560 -8.791 1.00 0.00 H new ATOM 0 HG12 VAL A 14 72.379 0.717 -8.438 1.00 0.00 H new ATOM 0 HG13 VAL A 14 72.990 -0.318 -7.125 1.00 0.00 H new ATOM 0 HG21 VAL A 14 72.913 -2.920 -8.750 1.00 0.00 H new ATOM 0 HG22 VAL A 14 72.292 -2.788 -7.088 1.00 0.00 H new ATOM 0 HG23 VAL A 14 71.236 -3.391 -8.387 1.00 0.00 H new ATOM 225 N GLY A 15 70.326 1.410 -6.916 1.00 0.00 N ATOM 226 CA GLY A 15 69.993 2.815 -7.048 1.00 0.00 C ATOM 227 C GLY A 15 68.831 3.212 -6.162 1.00 0.00 C ATOM 228 O GLY A 15 68.405 4.368 -6.160 1.00 0.00 O ATOM 0 H GLY A 15 70.875 1.178 -6.088 1.00 0.00 H new ATOM 0 HA2 GLY A 15 70.864 3.419 -6.794 1.00 0.00 H new ATOM 0 HA3 GLY A 15 69.746 3.032 -8.087 1.00 0.00 H new ATOM 232 N LEU A 16 68.321 2.254 -5.401 1.00 0.00 N ATOM 233 CA LEU A 16 67.193 2.497 -4.520 1.00 0.00 C ATOM 234 C LEU A 16 67.674 2.976 -3.155 1.00 0.00 C ATOM 235 O LEU A 16 68.554 2.365 -2.541 1.00 0.00 O ATOM 236 CB LEU A 16 66.360 1.220 -4.371 1.00 0.00 C ATOM 237 CG LEU A 16 65.089 1.360 -3.527 1.00 0.00 C ATOM 238 CD1 LEU A 16 64.143 2.379 -4.142 1.00 0.00 C ATOM 239 CD2 LEU A 16 64.399 0.013 -3.383 1.00 0.00 C ATOM 0 H LEU A 16 68.674 1.297 -5.378 1.00 0.00 H new ATOM 0 HA LEU A 16 66.570 3.277 -4.958 1.00 0.00 H new ATOM 0 HB2 LEU A 16 66.079 0.871 -5.365 1.00 0.00 H new ATOM 0 HB3 LEU A 16 66.987 0.447 -3.927 1.00 0.00 H new ATOM 0 HG LEU A 16 65.373 1.714 -2.536 1.00 0.00 H new ATOM 0 HD11 LEU A 16 63.247 2.462 -3.526 1.00 0.00 H new ATOM 0 HD12 LEU A 16 64.638 3.349 -4.196 1.00 0.00 H new ATOM 0 HD13 LEU A 16 63.865 2.058 -5.146 1.00 0.00 H new ATOM 0 HD21 LEU A 16 63.498 0.128 -2.781 1.00 0.00 H new ATOM 0 HD22 LEU A 16 64.131 -0.366 -4.369 1.00 0.00 H new ATOM 0 HD23 LEU A 16 65.073 -0.691 -2.895 1.00 0.00 H new ATOM 251 N ALA A 17 67.107 4.083 -2.696 1.00 0.00 N ATOM 252 CA ALA A 17 67.421 4.618 -1.383 1.00 0.00 C ATOM 253 C ALA A 17 66.595 3.915 -0.311 1.00 0.00 C ATOM 254 O ALA A 17 65.373 3.783 -0.436 1.00 0.00 O ATOM 255 CB ALA A 17 67.191 6.123 -1.345 1.00 0.00 C ATOM 0 H ALA A 17 66.423 4.630 -3.219 1.00 0.00 H new ATOM 0 HA ALA A 17 68.476 4.434 -1.178 1.00 0.00 H new ATOM 0 HB1 ALA A 17 67.432 6.503 -0.352 1.00 0.00 H new ATOM 0 HB2 ALA A 17 67.829 6.607 -2.084 1.00 0.00 H new ATOM 0 HB3 ALA A 17 66.147 6.337 -1.571 1.00 0.00 H new ATOM 261 N VAL A 18 67.269 3.462 0.732 1.00 0.00 N ATOM 262 CA VAL A 18 66.635 2.696 1.795 1.00 0.00 C ATOM 263 C VAL A 18 67.118 3.177 3.162 1.00 0.00 C ATOM 264 O VAL A 18 68.271 3.570 3.315 1.00 0.00 O ATOM 265 CB VAL A 18 66.932 1.183 1.653 1.00 0.00 C ATOM 266 CG1 VAL A 18 66.261 0.605 0.415 1.00 0.00 C ATOM 267 CG2 VAL A 18 68.433 0.934 1.603 1.00 0.00 C ATOM 0 H VAL A 18 68.269 3.613 0.867 1.00 0.00 H new ATOM 0 HA VAL A 18 65.559 2.851 1.712 1.00 0.00 H new ATOM 0 HB VAL A 18 66.522 0.680 2.528 1.00 0.00 H new ATOM 0 HG11 VAL A 18 66.487 -0.459 0.342 1.00 0.00 H new ATOM 0 HG12 VAL A 18 65.182 0.742 0.488 1.00 0.00 H new ATOM 0 HG13 VAL A 18 66.632 1.117 -0.473 1.00 0.00 H new ATOM 0 HG21 VAL A 18 68.621 -0.135 1.503 1.00 0.00 H new ATOM 0 HG22 VAL A 18 68.861 1.459 0.749 1.00 0.00 H new ATOM 0 HG23 VAL A 18 68.893 1.299 2.521 1.00 0.00 H new ATOM 277 N GLU A 19 66.232 3.166 4.149 1.00 0.00 N ATOM 278 CA GLU A 19 66.598 3.564 5.503 1.00 0.00 C ATOM 279 C GLU A 19 66.808 2.341 6.389 1.00 0.00 C ATOM 280 O GLU A 19 66.142 1.312 6.214 1.00 0.00 O ATOM 281 CB GLU A 19 65.523 4.467 6.121 1.00 0.00 C ATOM 282 CG GLU A 19 64.147 3.825 6.189 1.00 0.00 C ATOM 283 CD GLU A 19 63.193 4.582 7.091 1.00 0.00 C ATOM 284 OE1 GLU A 19 63.169 5.831 7.028 1.00 0.00 O ATOM 285 OE2 GLU A 19 62.451 3.929 7.863 1.00 0.00 O ATOM 0 H GLU A 19 65.257 2.887 4.039 1.00 0.00 H new ATOM 0 HA GLU A 19 67.532 4.122 5.440 1.00 0.00 H new ATOM 0 HB2 GLU A 19 65.833 4.748 7.128 1.00 0.00 H new ATOM 0 HB3 GLU A 19 65.456 5.387 5.540 1.00 0.00 H new ATOM 0 HG2 GLU A 19 63.726 3.771 5.185 1.00 0.00 H new ATOM 0 HG3 GLU A 19 64.246 2.801 6.549 1.00 0.00 H new ATOM 292 N ILE A 20 67.743 2.447 7.325 1.00 0.00 N ATOM 293 CA ILE A 20 67.941 1.403 8.321 1.00 0.00 C ATOM 294 C ILE A 20 66.940 1.599 9.452 1.00 0.00 C ATOM 295 O ILE A 20 66.833 2.693 10.009 1.00 0.00 O ATOM 296 CB ILE A 20 69.385 1.394 8.892 1.00 0.00 C ATOM 297 CG1 ILE A 20 70.387 0.870 7.852 1.00 0.00 C ATOM 298 CG2 ILE A 20 69.457 0.554 10.161 1.00 0.00 C ATOM 299 CD1 ILE A 20 70.671 1.830 6.716 1.00 0.00 C ATOM 0 H ILE A 20 68.374 3.243 7.415 1.00 0.00 H new ATOM 0 HA ILE A 20 67.784 0.441 7.833 1.00 0.00 H new ATOM 0 HB ILE A 20 69.652 2.422 9.137 1.00 0.00 H new ATOM 0 HG12 ILE A 20 71.325 0.635 8.356 1.00 0.00 H new ATOM 0 HG13 ILE A 20 70.006 -0.063 7.436 1.00 0.00 H new ATOM 0 HG21 ILE A 20 70.477 0.561 10.545 1.00 0.00 H new ATOM 0 HG22 ILE A 20 68.784 0.970 10.911 1.00 0.00 H new ATOM 0 HG23 ILE A 20 69.161 -0.471 9.936 1.00 0.00 H new ATOM 0 HD11 ILE A 20 71.388 1.379 6.029 1.00 0.00 H new ATOM 0 HD12 ILE A 20 69.745 2.047 6.183 1.00 0.00 H new ATOM 0 HD13 ILE A 20 71.085 2.755 7.117 1.00 0.00 H new ATOM 311 N ASN A 21 66.207 0.544 9.785 1.00 0.00 N ATOM 312 CA ASN A 21 65.101 0.653 10.727 1.00 0.00 C ATOM 313 C ASN A 21 65.096 -0.483 11.732 1.00 0.00 C ATOM 314 O ASN A 21 65.848 -1.452 11.594 1.00 0.00 O ATOM 315 CB ASN A 21 63.775 0.636 9.976 1.00 0.00 C ATOM 316 CG ASN A 21 63.539 -0.681 9.256 1.00 0.00 C ATOM 317 OD1 ASN A 21 64.096 -0.813 8.062 1.00 0.00 O flip ATOM 318 ND2 ASN A 21 62.876 -1.580 9.777 1.00 0.00 N flip ATOM 0 H ASN A 21 66.358 -0.395 9.417 1.00 0.00 H new ATOM 0 HA ASN A 21 65.230 1.593 11.264 1.00 0.00 H new ATOM 0 HB2 ASN A 21 62.960 0.816 10.677 1.00 0.00 H new ATOM 0 HB3 ASN A 21 63.759 1.451 9.253 1.00 0.00 H new ATOM 0 HD21 ASN A 21 62.463 -1.440 10.699 1.00 0.00 H new ATOM 0 HD22 ASN A 21 62.741 -2.464 9.286 1.00 0.00 H new ATOM 325 N ASN A 22 64.226 -0.342 12.737 1.00 0.00 N ATOM 326 CA ASN A 22 64.010 -1.362 13.767 1.00 0.00 C ATOM 327 C ASN A 22 65.336 -1.738 14.412 1.00 0.00 C ATOM 328 O ASN A 22 65.600 -2.903 14.698 1.00 0.00 O ATOM 329 CB ASN A 22 63.322 -2.594 13.169 1.00 0.00 C ATOM 330 CG ASN A 22 62.538 -3.384 14.203 1.00 0.00 C ATOM 331 OD1 ASN A 22 62.885 -3.418 15.383 1.00 0.00 O ATOM 332 ND2 ASN A 22 61.461 -4.015 13.768 1.00 0.00 N ATOM 0 H ASN A 22 63.648 0.489 12.859 1.00 0.00 H new ATOM 0 HA ASN A 22 63.355 -0.954 14.536 1.00 0.00 H new ATOM 0 HB2 ASN A 22 62.649 -2.279 12.371 1.00 0.00 H new ATOM 0 HB3 ASN A 22 64.073 -3.241 12.716 1.00 0.00 H new ATOM 0 HD21 ASN A 22 60.887 -4.552 14.418 1.00 0.00 H new ATOM 0 HD22 ASN A 22 61.204 -3.965 12.782 1.00 0.00 H new ATOM 339 N ASN A 23 66.161 -0.708 14.598 1.00 0.00 N ATOM 340 CA ASN A 23 67.522 -0.800 15.149 1.00 0.00 C ATOM 341 C ASN A 23 68.385 -1.835 14.424 1.00 0.00 C ATOM 342 O ASN A 23 69.500 -2.123 14.868 1.00 0.00 O ATOM 343 CB ASN A 23 67.530 -1.030 16.679 1.00 0.00 C ATOM 344 CG ASN A 23 67.106 -2.421 17.123 1.00 0.00 C ATOM 345 OD1 ASN A 23 67.922 -3.337 17.204 1.00 0.00 O ATOM 346 ND2 ASN A 23 65.831 -2.579 17.445 1.00 0.00 N ATOM 0 H ASN A 23 65.896 0.248 14.363 1.00 0.00 H new ATOM 0 HA ASN A 23 67.977 0.174 14.969 1.00 0.00 H new ATOM 0 HB2 ASN A 23 68.534 -0.836 17.055 1.00 0.00 H new ATOM 0 HB3 ASN A 23 66.869 -0.299 17.144 1.00 0.00 H new ATOM 0 HD21 ASN A 23 65.496 -3.485 17.773 1.00 0.00 H new ATOM 0 HD22 ASN A 23 65.184 -1.795 17.365 1.00 0.00 H new ATOM 353 N ALA A 24 67.884 -2.329 13.278 1.00 0.00 N ATOM 354 CA ALA A 24 68.558 -3.345 12.454 1.00 0.00 C ATOM 355 C ALA A 24 68.704 -4.695 13.167 1.00 0.00 C ATOM 356 O ALA A 24 68.407 -5.743 12.590 1.00 0.00 O ATOM 357 CB ALA A 24 69.914 -2.841 11.981 1.00 0.00 C ATOM 0 H ALA A 24 66.988 -2.029 12.894 1.00 0.00 H new ATOM 0 HA ALA A 24 67.918 -3.516 11.589 1.00 0.00 H new ATOM 0 HB1 ALA A 24 70.395 -3.607 11.374 1.00 0.00 H new ATOM 0 HB2 ALA A 24 69.779 -1.938 11.386 1.00 0.00 H new ATOM 0 HB3 ALA A 24 70.540 -2.616 12.845 1.00 0.00 H new ATOM 363 N ARG A 25 69.150 -4.651 14.420 1.00 0.00 N ATOM 364 CA ARG A 25 69.413 -5.845 15.230 1.00 0.00 C ATOM 365 C ARG A 25 70.632 -6.614 14.723 1.00 0.00 C ATOM 366 O ARG A 25 71.688 -6.601 15.357 1.00 0.00 O ATOM 367 CB ARG A 25 68.182 -6.759 15.298 1.00 0.00 C ATOM 368 CG ARG A 25 67.046 -6.160 16.101 1.00 0.00 C ATOM 369 CD ARG A 25 65.828 -7.065 16.130 1.00 0.00 C ATOM 370 NE ARG A 25 64.787 -6.529 17.004 1.00 0.00 N ATOM 371 CZ ARG A 25 63.501 -6.439 16.673 1.00 0.00 C ATOM 372 NH1 ARG A 25 63.069 -6.909 15.507 1.00 0.00 N ATOM 373 NH2 ARG A 25 62.634 -5.897 17.519 1.00 0.00 N ATOM 0 H ARG A 25 69.342 -3.777 14.910 1.00 0.00 H new ATOM 0 HA ARG A 25 69.634 -5.502 16.241 1.00 0.00 H new ATOM 0 HB2 ARG A 25 67.834 -6.968 14.286 1.00 0.00 H new ATOM 0 HB3 ARG A 25 68.468 -7.713 15.740 1.00 0.00 H new ATOM 0 HG2 ARG A 25 67.383 -5.973 17.121 1.00 0.00 H new ATOM 0 HG3 ARG A 25 66.770 -5.195 15.675 1.00 0.00 H new ATOM 0 HD2 ARG A 25 65.434 -7.180 15.120 1.00 0.00 H new ATOM 0 HD3 ARG A 25 66.118 -8.058 16.474 1.00 0.00 H new ATOM 0 HE ARG A 25 65.064 -6.202 17.930 1.00 0.00 H new ATOM 0 HH11 ARG A 25 63.725 -7.343 14.858 1.00 0.00 H new ATOM 0 HH12 ARG A 25 62.082 -6.836 15.262 1.00 0.00 H new ATOM 0 HH21 ARG A 25 62.953 -5.549 18.423 1.00 0.00 H new ATOM 0 HH22 ARG A 25 61.649 -5.828 17.265 1.00 0.00 H new ATOM 387 N TYR A 26 70.500 -7.263 13.578 1.00 0.00 N ATOM 388 CA TYR A 26 71.578 -8.076 13.039 1.00 0.00 C ATOM 389 C TYR A 26 72.100 -7.491 11.736 1.00 0.00 C ATOM 390 O TYR A 26 71.576 -7.768 10.661 1.00 0.00 O ATOM 391 CB TYR A 26 71.116 -9.520 12.837 1.00 0.00 C ATOM 392 CG TYR A 26 70.870 -10.261 14.135 1.00 0.00 C ATOM 393 CD1 TYR A 26 69.620 -10.245 14.747 1.00 0.00 C ATOM 394 CD2 TYR A 26 71.891 -10.970 14.752 1.00 0.00 C ATOM 395 CE1 TYR A 26 69.399 -10.913 15.936 1.00 0.00 C ATOM 396 CE2 TYR A 26 71.677 -11.642 15.939 1.00 0.00 C ATOM 397 CZ TYR A 26 70.430 -11.609 16.528 1.00 0.00 C ATOM 398 OH TYR A 26 70.217 -12.276 17.713 1.00 0.00 O ATOM 0 H TYR A 26 69.657 -7.243 13.004 1.00 0.00 H new ATOM 0 HA TYR A 26 72.395 -8.076 13.760 1.00 0.00 H new ATOM 0 HB2 TYR A 26 70.199 -9.521 12.247 1.00 0.00 H new ATOM 0 HB3 TYR A 26 71.868 -10.056 12.258 1.00 0.00 H new ATOM 0 HD1 TYR A 26 68.809 -9.701 14.285 1.00 0.00 H new ATOM 0 HD2 TYR A 26 72.870 -10.997 14.296 1.00 0.00 H new ATOM 0 HE1 TYR A 26 68.423 -10.890 16.399 1.00 0.00 H new ATOM 0 HE2 TYR A 26 72.482 -12.191 16.404 1.00 0.00 H new ATOM 0 HH TYR A 26 71.046 -12.716 17.994 1.00 0.00 H new ATOM 408 N GLY A 27 73.126 -6.664 11.851 1.00 0.00 N ATOM 409 CA GLY A 27 73.720 -6.046 10.685 1.00 0.00 C ATOM 410 C GLY A 27 74.302 -4.685 11.004 1.00 0.00 C ATOM 411 O GLY A 27 75.445 -4.390 10.660 1.00 0.00 O ATOM 0 H GLY A 27 73.561 -6.408 12.737 1.00 0.00 H new ATOM 0 HA2 GLY A 27 74.504 -6.693 10.290 1.00 0.00 H new ATOM 0 HA3 GLY A 27 72.967 -5.945 9.904 1.00 0.00 H new ATOM 415 N CYS A 28 73.517 -3.860 11.681 1.00 0.00 N ATOM 416 CA CYS A 28 73.953 -2.524 12.053 1.00 0.00 C ATOM 417 C CYS A 28 73.282 -2.107 13.361 1.00 0.00 C ATOM 418 O CYS A 28 72.241 -1.447 13.356 1.00 0.00 O ATOM 419 CB CYS A 28 73.624 -1.537 10.926 1.00 0.00 C ATOM 420 SG CYS A 28 74.466 0.054 11.055 1.00 0.00 S ATOM 0 H CYS A 28 72.572 -4.094 11.984 1.00 0.00 H new ATOM 0 HA CYS A 28 75.032 -2.521 12.205 1.00 0.00 H new ATOM 0 HB2 CYS A 28 73.884 -1.995 9.972 1.00 0.00 H new ATOM 0 HB3 CYS A 28 72.548 -1.364 10.914 1.00 0.00 H new ATOM 0 HG CYS A 28 74.733 0.304 12.303 1.00 0.00 H new ATOM 426 N PRO A 29 73.867 -2.511 14.502 1.00 0.00 N ATOM 427 CA PRO A 29 73.253 -2.333 15.826 1.00 0.00 C ATOM 428 C PRO A 29 73.018 -0.870 16.200 1.00 0.00 C ATOM 429 O PRO A 29 73.959 -0.116 16.449 1.00 0.00 O ATOM 430 CB PRO A 29 74.258 -2.981 16.786 1.00 0.00 C ATOM 431 CG PRO A 29 75.547 -3.004 16.041 1.00 0.00 C ATOM 432 CD PRO A 29 75.182 -3.167 14.594 1.00 0.00 C ATOM 0 HA PRO A 29 72.259 -2.780 15.858 1.00 0.00 H new ATOM 0 HB2 PRO A 29 74.347 -2.409 17.709 1.00 0.00 H new ATOM 0 HB3 PRO A 29 73.945 -3.988 17.064 1.00 0.00 H new ATOM 0 HG2 PRO A 29 76.107 -2.083 16.201 1.00 0.00 H new ATOM 0 HG3 PRO A 29 76.179 -3.825 16.379 1.00 0.00 H new ATOM 0 HD2 PRO A 29 75.914 -2.695 13.939 1.00 0.00 H new ATOM 0 HD3 PRO A 29 75.129 -4.217 14.308 1.00 0.00 H new ATOM 440 N HIS A 30 71.742 -0.485 16.213 1.00 0.00 N ATOM 441 CA HIS A 30 71.316 0.843 16.659 1.00 0.00 C ATOM 442 C HIS A 30 71.959 1.954 15.822 1.00 0.00 C ATOM 443 O HIS A 30 72.841 2.674 16.290 1.00 0.00 O ATOM 444 CB HIS A 30 71.631 1.034 18.157 1.00 0.00 C ATOM 445 CG HIS A 30 70.972 2.233 18.785 1.00 0.00 C ATOM 446 ND1 HIS A 30 69.860 2.144 19.596 1.00 0.00 N ATOM 447 CD2 HIS A 30 71.281 3.550 18.726 1.00 0.00 C ATOM 448 CE1 HIS A 30 69.516 3.352 20.001 1.00 0.00 C ATOM 449 NE2 HIS A 30 70.361 4.222 19.489 1.00 0.00 N ATOM 0 H HIS A 30 70.973 -1.085 15.914 1.00 0.00 H new ATOM 0 HA HIS A 30 70.237 0.912 16.517 1.00 0.00 H new ATOM 0 HB2 HIS A 30 71.321 0.140 18.698 1.00 0.00 H new ATOM 0 HB3 HIS A 30 72.710 1.122 18.280 1.00 0.00 H new ATOM 0 HD2 HIS A 30 72.101 3.990 18.179 1.00 0.00 H new ATOM 0 HE1 HIS A 30 68.681 3.587 20.645 1.00 0.00 H new ATOM 0 HE2 HIS A 30 70.336 5.231 19.636 1.00 0.00 H new ATOM 458 N HIS A 31 71.533 2.066 14.570 1.00 0.00 N ATOM 459 CA HIS A 31 71.975 3.152 13.694 1.00 0.00 C ATOM 460 C HIS A 31 70.801 3.644 12.853 1.00 0.00 C ATOM 461 O HIS A 31 70.963 4.057 11.704 1.00 0.00 O ATOM 462 CB HIS A 31 73.129 2.697 12.791 1.00 0.00 C ATOM 463 CG HIS A 31 74.434 2.502 13.513 1.00 0.00 C ATOM 464 ND1 HIS A 31 75.035 1.378 13.974 1.00 0.00 N flip ATOM 465 CD2 HIS A 31 75.283 3.540 13.836 1.00 0.00 C flip ATOM 466 CE1 HIS A 31 76.221 1.755 14.554 1.00 0.00 C flip ATOM 467 NE2 HIS A 31 76.344 3.063 14.455 1.00 0.00 N flip ATOM 0 H HIS A 31 70.879 1.416 14.134 1.00 0.00 H new ATOM 0 HA HIS A 31 72.340 3.971 14.313 1.00 0.00 H new ATOM 0 HB2 HIS A 31 72.850 1.761 12.307 1.00 0.00 H new ATOM 0 HB3 HIS A 31 73.270 3.434 12.001 1.00 0.00 H new ATOM 0 HD2 HIS A 31 75.106 4.582 13.616 1.00 0.00 H new ATOM 0 HE1 HIS A 31 76.935 1.089 15.015 1.00 0.00 H new ATOM 0 HE2 HIS A 31 77.130 3.615 14.800 1.00 0.00 H new ATOM 476 N VAL A 32 69.622 3.624 13.458 1.00 0.00 N ATOM 477 CA VAL A 32 68.391 3.996 12.774 1.00 0.00 C ATOM 478 C VAL A 32 68.365 5.491 12.484 1.00 0.00 C ATOM 479 O VAL A 32 68.762 6.305 13.318 1.00 0.00 O ATOM 480 CB VAL A 32 67.157 3.606 13.610 1.00 0.00 C ATOM 481 CG1 VAL A 32 65.868 3.962 12.886 1.00 0.00 C ATOM 482 CG2 VAL A 32 67.205 2.125 13.936 1.00 0.00 C ATOM 0 H VAL A 32 69.491 3.351 14.432 1.00 0.00 H new ATOM 0 HA VAL A 32 68.360 3.452 11.830 1.00 0.00 H new ATOM 0 HB VAL A 32 67.174 4.172 14.541 1.00 0.00 H new ATOM 0 HG11 VAL A 32 65.015 3.675 13.500 1.00 0.00 H new ATOM 0 HG12 VAL A 32 65.838 5.036 12.703 1.00 0.00 H new ATOM 0 HG13 VAL A 32 65.826 3.430 11.935 1.00 0.00 H new ATOM 0 HG21 VAL A 32 66.330 1.854 14.527 1.00 0.00 H new ATOM 0 HG22 VAL A 32 67.210 1.549 13.011 1.00 0.00 H new ATOM 0 HG23 VAL A 32 68.109 1.907 14.504 1.00 0.00 H new ATOM 492 N GLY A 33 67.903 5.844 11.297 1.00 0.00 N ATOM 493 CA GLY A 33 67.882 7.232 10.894 1.00 0.00 C ATOM 494 C GLY A 33 68.887 7.497 9.802 1.00 0.00 C ATOM 495 O GLY A 33 68.777 8.470 9.056 1.00 0.00 O ATOM 0 H GLY A 33 67.541 5.191 10.602 1.00 0.00 H new ATOM 0 HA2 GLY A 33 66.884 7.497 10.546 1.00 0.00 H new ATOM 0 HA3 GLY A 33 68.099 7.866 11.753 1.00 0.00 H new ATOM 499 N ARG A 34 69.880 6.627 9.718 1.00 0.00 N ATOM 500 CA ARG A 34 70.863 6.696 8.659 1.00 0.00 C ATOM 501 C ARG A 34 70.283 6.096 7.390 1.00 0.00 C ATOM 502 O ARG A 34 69.882 4.928 7.364 1.00 0.00 O ATOM 503 CB ARG A 34 72.143 5.968 9.067 1.00 0.00 C ATOM 504 CG ARG A 34 72.828 6.598 10.271 1.00 0.00 C ATOM 505 CD ARG A 34 74.020 5.783 10.743 1.00 0.00 C ATOM 506 NE ARG A 34 75.080 5.712 9.739 1.00 0.00 N ATOM 507 CZ ARG A 34 76.333 6.104 9.955 1.00 0.00 C ATOM 508 NH1 ARG A 34 76.666 6.698 11.092 1.00 0.00 N ATOM 509 NH2 ARG A 34 77.253 5.934 9.021 1.00 0.00 N ATOM 0 H ARG A 34 70.024 5.862 10.377 1.00 0.00 H new ATOM 0 HA ARG A 34 71.117 7.740 8.473 1.00 0.00 H new ATOM 0 HB2 ARG A 34 71.907 4.928 9.293 1.00 0.00 H new ATOM 0 HB3 ARG A 34 72.835 5.961 8.225 1.00 0.00 H new ATOM 0 HG2 ARG A 34 73.157 7.605 10.014 1.00 0.00 H new ATOM 0 HG3 ARG A 34 72.111 6.695 11.086 1.00 0.00 H new ATOM 0 HD2 ARG A 34 74.418 6.223 11.657 1.00 0.00 H new ATOM 0 HD3 ARG A 34 73.691 4.774 10.992 1.00 0.00 H new ATOM 0 HE ARG A 34 74.845 5.340 8.819 1.00 0.00 H new ATOM 0 HH11 ARG A 34 75.959 6.858 11.810 1.00 0.00 H new ATOM 0 HH12 ARG A 34 77.629 6.995 11.249 1.00 0.00 H new ATOM 0 HH21 ARG A 34 77.003 5.501 8.132 1.00 0.00 H new ATOM 0 HH22 ARG A 34 78.213 6.236 9.190 1.00 0.00 H new ATOM 523 N LYS A 35 70.206 6.909 6.353 1.00 0.00 N ATOM 524 CA LYS A 35 69.633 6.480 5.095 1.00 0.00 C ATOM 525 C LYS A 35 70.735 6.191 4.091 1.00 0.00 C ATOM 526 O LYS A 35 71.751 6.883 4.050 1.00 0.00 O ATOM 527 CB LYS A 35 68.670 7.547 4.572 1.00 0.00 C ATOM 528 CG LYS A 35 67.430 7.701 5.444 1.00 0.00 C ATOM 529 CD LYS A 35 66.511 8.825 4.972 1.00 0.00 C ATOM 530 CE LYS A 35 66.929 10.185 5.516 1.00 0.00 C ATOM 531 NZ LYS A 35 68.187 10.689 4.906 1.00 0.00 N ATOM 0 H LYS A 35 70.535 7.874 6.360 1.00 0.00 H new ATOM 0 HA LYS A 35 69.070 5.560 5.248 1.00 0.00 H new ATOM 0 HB2 LYS A 35 69.190 8.503 4.516 1.00 0.00 H new ATOM 0 HB3 LYS A 35 68.366 7.289 3.558 1.00 0.00 H new ATOM 0 HG2 LYS A 35 66.876 6.762 5.449 1.00 0.00 H new ATOM 0 HG3 LYS A 35 67.736 7.896 6.472 1.00 0.00 H new ATOM 0 HD2 LYS A 35 66.511 8.857 3.882 1.00 0.00 H new ATOM 0 HD3 LYS A 35 65.489 8.610 5.285 1.00 0.00 H new ATOM 0 HE2 LYS A 35 66.130 10.904 5.336 1.00 0.00 H new ATOM 0 HE3 LYS A 35 67.057 10.115 6.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 68.179 11.729 4.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 69.001 10.351 5.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 68.263 10.340 3.929 1.00 0.00 H new ATOM 545 N GLY A 36 70.545 5.156 3.301 1.00 0.00 N ATOM 546 CA GLY A 36 71.553 4.768 2.350 1.00 0.00 C ATOM 547 C GLY A 36 70.972 4.456 0.993 1.00 0.00 C ATOM 548 O GLY A 36 69.770 4.587 0.778 1.00 0.00 O ATOM 0 H GLY A 36 69.707 4.575 3.301 1.00 0.00 H new ATOM 0 HA2 GLY A 36 72.285 5.569 2.253 1.00 0.00 H new ATOM 0 HA3 GLY A 36 72.085 3.893 2.725 1.00 0.00 H new ATOM 552 N LYS A 37 71.829 4.044 0.083 1.00 0.00 N ATOM 553 CA LYS A 37 71.416 3.722 -1.274 1.00 0.00 C ATOM 554 C LYS A 37 72.087 2.435 -1.739 1.00 0.00 C ATOM 555 O LYS A 37 73.317 2.336 -1.749 1.00 0.00 O ATOM 556 CB LYS A 37 71.771 4.888 -2.198 1.00 0.00 C ATOM 557 CG LYS A 37 71.544 4.625 -3.677 1.00 0.00 C ATOM 558 CD LYS A 37 71.954 5.834 -4.504 1.00 0.00 C ATOM 559 CE LYS A 37 73.378 6.262 -4.181 1.00 0.00 C ATOM 560 NZ LYS A 37 73.771 7.521 -4.869 1.00 0.00 N ATOM 0 H LYS A 37 72.827 3.922 0.257 1.00 0.00 H new ATOM 0 HA LYS A 37 70.338 3.565 -1.301 1.00 0.00 H new ATOM 0 HB2 LYS A 37 71.183 5.757 -1.904 1.00 0.00 H new ATOM 0 HB3 LYS A 37 72.819 5.146 -2.047 1.00 0.00 H new ATOM 0 HG2 LYS A 37 72.118 3.752 -3.989 1.00 0.00 H new ATOM 0 HG3 LYS A 37 70.493 4.396 -3.854 1.00 0.00 H new ATOM 0 HD2 LYS A 37 71.874 5.597 -5.565 1.00 0.00 H new ATOM 0 HD3 LYS A 37 71.270 6.660 -4.310 1.00 0.00 H new ATOM 0 HE2 LYS A 37 73.477 6.396 -3.104 1.00 0.00 H new ATOM 0 HE3 LYS A 37 74.066 5.466 -4.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 74.749 7.766 -4.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 73.705 7.389 -5.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 73.134 8.290 -4.577 1.00 0.00 H new ATOM 574 N ILE A 38 71.276 1.449 -2.104 1.00 0.00 N ATOM 575 CA ILE A 38 71.786 0.160 -2.560 1.00 0.00 C ATOM 576 C ILE A 38 72.572 0.338 -3.851 1.00 0.00 C ATOM 577 O ILE A 38 72.043 0.845 -4.841 1.00 0.00 O ATOM 578 CB ILE A 38 70.640 -0.850 -2.789 1.00 0.00 C ATOM 579 CG1 ILE A 38 69.832 -1.032 -1.504 1.00 0.00 C ATOM 580 CG2 ILE A 38 71.192 -2.186 -3.272 1.00 0.00 C ATOM 581 CD1 ILE A 38 68.613 -1.914 -1.666 1.00 0.00 C ATOM 0 H ILE A 38 70.258 1.518 -2.093 1.00 0.00 H new ATOM 0 HA ILE A 38 72.440 -0.234 -1.782 1.00 0.00 H new ATOM 0 HB ILE A 38 69.978 -0.457 -3.561 1.00 0.00 H new ATOM 0 HG12 ILE A 38 70.478 -1.459 -0.737 1.00 0.00 H new ATOM 0 HG13 ILE A 38 69.515 -0.053 -1.144 1.00 0.00 H new ATOM 0 HG21 ILE A 38 70.370 -2.884 -3.428 1.00 0.00 H new ATOM 0 HG22 ILE A 38 71.727 -2.041 -4.210 1.00 0.00 H new ATOM 0 HG23 ILE A 38 71.874 -2.590 -2.524 1.00 0.00 H new ATOM 0 HD11 ILE A 38 68.093 -1.995 -0.712 1.00 0.00 H new ATOM 0 HD12 ILE A 38 67.944 -1.478 -2.408 1.00 0.00 H new ATOM 0 HD13 ILE A 38 68.923 -2.906 -1.995 1.00 0.00 H new ATOM 593 N ILE A 39 73.834 -0.074 -3.840 1.00 0.00 N ATOM 594 CA ILE A 39 74.711 0.148 -4.987 1.00 0.00 C ATOM 595 C ILE A 39 75.165 -1.164 -5.613 1.00 0.00 C ATOM 596 O ILE A 39 75.594 -1.192 -6.767 1.00 0.00 O ATOM 597 CB ILE A 39 75.955 0.983 -4.609 1.00 0.00 C ATOM 598 CG1 ILE A 39 76.686 0.355 -3.417 1.00 0.00 C ATOM 599 CG2 ILE A 39 75.558 2.421 -4.310 1.00 0.00 C ATOM 600 CD1 ILE A 39 77.947 1.089 -3.019 1.00 0.00 C ATOM 0 H ILE A 39 74.272 -0.560 -3.057 1.00 0.00 H new ATOM 0 HA ILE A 39 74.120 0.704 -5.714 1.00 0.00 H new ATOM 0 HB ILE A 39 76.640 0.989 -5.457 1.00 0.00 H new ATOM 0 HG12 ILE A 39 76.010 0.325 -2.563 1.00 0.00 H new ATOM 0 HG13 ILE A 39 76.939 -0.677 -3.660 1.00 0.00 H new ATOM 0 HG21 ILE A 39 76.445 2.996 -4.045 1.00 0.00 H new ATOM 0 HG22 ILE A 39 75.091 2.860 -5.191 1.00 0.00 H new ATOM 0 HG23 ILE A 39 74.853 2.439 -3.479 1.00 0.00 H new ATOM 0 HD11 ILE A 39 78.408 0.586 -2.169 1.00 0.00 H new ATOM 0 HD12 ILE A 39 78.643 1.097 -3.858 1.00 0.00 H new ATOM 0 HD13 ILE A 39 77.700 2.114 -2.743 1.00 0.00 H new ATOM 612 N GLU A 40 75.069 -2.249 -4.861 1.00 0.00 N ATOM 613 CA GLU A 40 75.527 -3.539 -5.350 1.00 0.00 C ATOM 614 C GLU A 40 74.701 -4.671 -4.754 1.00 0.00 C ATOM 615 O GLU A 40 74.340 -4.641 -3.576 1.00 0.00 O ATOM 616 CB GLU A 40 77.010 -3.725 -5.016 1.00 0.00 C ATOM 617 CG GLU A 40 77.633 -4.974 -5.621 1.00 0.00 C ATOM 618 CD GLU A 40 79.133 -5.023 -5.428 1.00 0.00 C ATOM 619 OE1 GLU A 40 79.856 -4.361 -6.203 1.00 0.00 O ATOM 620 OE2 GLU A 40 79.603 -5.716 -4.504 1.00 0.00 O ATOM 0 H GLU A 40 74.681 -2.263 -3.918 1.00 0.00 H new ATOM 0 HA GLU A 40 75.400 -3.565 -6.432 1.00 0.00 H new ATOM 0 HB2 GLU A 40 77.562 -2.852 -5.364 1.00 0.00 H new ATOM 0 HB3 GLU A 40 77.125 -3.763 -3.933 1.00 0.00 H new ATOM 0 HG2 GLU A 40 77.182 -5.857 -5.168 1.00 0.00 H new ATOM 0 HG3 GLU A 40 77.405 -5.011 -6.686 1.00 0.00 H new ATOM 627 N HIS A 41 74.381 -5.649 -5.588 1.00 0.00 N ATOM 628 CA HIS A 41 73.701 -6.853 -5.142 1.00 0.00 C ATOM 629 C HIS A 41 74.737 -7.882 -4.715 1.00 0.00 C ATOM 630 O HIS A 41 75.549 -8.317 -5.531 1.00 0.00 O ATOM 631 CB HIS A 41 72.825 -7.425 -6.261 1.00 0.00 C ATOM 632 CG HIS A 41 71.619 -6.598 -6.577 1.00 0.00 C ATOM 633 ND1 HIS A 41 71.041 -6.561 -7.825 1.00 0.00 N ATOM 634 CD2 HIS A 41 70.861 -5.798 -5.792 1.00 0.00 C ATOM 635 CE1 HIS A 41 69.983 -5.776 -7.796 1.00 0.00 C ATOM 636 NE2 HIS A 41 69.847 -5.298 -6.571 1.00 0.00 N ATOM 0 H HIS A 41 74.585 -5.630 -6.587 1.00 0.00 H new ATOM 0 HA HIS A 41 73.057 -6.606 -4.298 1.00 0.00 H new ATOM 0 HB2 HIS A 41 73.428 -7.528 -7.163 1.00 0.00 H new ATOM 0 HB3 HIS A 41 72.501 -8.427 -5.978 1.00 0.00 H new ATOM 0 HD2 HIS A 41 71.024 -5.591 -4.745 1.00 0.00 H new ATOM 0 HE1 HIS A 41 69.335 -5.559 -8.633 1.00 0.00 H new ATOM 0 HE2 HIS A 41 69.112 -4.664 -6.257 1.00 0.00 H new ATOM 645 N LEU A 42 74.725 -8.259 -3.447 1.00 0.00 N ATOM 646 CA LEU A 42 75.721 -9.185 -2.930 1.00 0.00 C ATOM 647 C LEU A 42 75.294 -10.621 -3.177 1.00 0.00 C ATOM 648 O LEU A 42 74.143 -10.980 -2.953 1.00 0.00 O ATOM 649 CB LEU A 42 75.944 -8.959 -1.433 1.00 0.00 C ATOM 650 CG LEU A 42 76.432 -7.562 -1.046 1.00 0.00 C ATOM 651 CD1 LEU A 42 76.665 -7.484 0.450 1.00 0.00 C ATOM 652 CD2 LEU A 42 77.704 -7.208 -1.798 1.00 0.00 C ATOM 0 H LEU A 42 74.042 -7.941 -2.760 1.00 0.00 H new ATOM 0 HA LEU A 42 76.658 -9.000 -3.456 1.00 0.00 H new ATOM 0 HB2 LEU A 42 75.008 -9.156 -0.910 1.00 0.00 H new ATOM 0 HB3 LEU A 42 76.669 -9.690 -1.076 1.00 0.00 H new ATOM 0 HG LEU A 42 75.662 -6.841 -1.320 1.00 0.00 H new ATOM 0 HD11 LEU A 42 77.012 -6.485 0.713 1.00 0.00 H new ATOM 0 HD12 LEU A 42 75.733 -7.694 0.975 1.00 0.00 H new ATOM 0 HD13 LEU A 42 77.418 -8.217 0.740 1.00 0.00 H new ATOM 0 HD21 LEU A 42 78.033 -6.210 -1.507 1.00 0.00 H new ATOM 0 HD22 LEU A 42 78.483 -7.932 -1.557 1.00 0.00 H new ATOM 0 HD23 LEU A 42 77.510 -7.228 -2.870 1.00 0.00 H new ATOM 664 N HIS A 43 76.227 -11.443 -3.633 1.00 0.00 N ATOM 665 CA HIS A 43 75.935 -12.848 -3.920 1.00 0.00 C ATOM 666 C HIS A 43 76.122 -13.697 -2.669 1.00 0.00 C ATOM 667 O HIS A 43 76.222 -14.923 -2.742 1.00 0.00 O ATOM 668 CB HIS A 43 76.813 -13.378 -5.065 1.00 0.00 C ATOM 669 CG HIS A 43 78.291 -13.262 -4.827 1.00 0.00 C ATOM 670 ND1 HIS A 43 78.999 -14.125 -4.018 1.00 0.00 N ATOM 671 CD2 HIS A 43 79.199 -12.377 -5.309 1.00 0.00 C ATOM 672 CE1 HIS A 43 80.271 -13.775 -4.009 1.00 0.00 C ATOM 673 NE2 HIS A 43 80.420 -12.719 -4.782 1.00 0.00 N ATOM 0 H HIS A 43 77.192 -11.167 -3.813 1.00 0.00 H new ATOM 0 HA HIS A 43 74.894 -12.916 -4.237 1.00 0.00 H new ATOM 0 HB2 HIS A 43 76.568 -14.426 -5.238 1.00 0.00 H new ATOM 0 HB3 HIS A 43 76.562 -12.837 -5.977 1.00 0.00 H new ATOM 0 HD2 HIS A 43 78.999 -11.556 -5.982 1.00 0.00 H new ATOM 0 HE1 HIS A 43 81.058 -14.271 -3.460 1.00 0.00 H new ATOM 0 HE2 HIS A 43 81.299 -12.234 -4.960 1.00 0.00 H new ATOM 682 N SER A 44 76.149 -13.036 -1.527 1.00 0.00 N ATOM 683 CA SER A 44 76.339 -13.704 -0.254 1.00 0.00 C ATOM 684 C SER A 44 75.005 -14.223 0.270 1.00 0.00 C ATOM 685 O SER A 44 73.955 -13.967 -0.315 1.00 0.00 O ATOM 686 CB SER A 44 76.964 -12.730 0.751 1.00 0.00 C ATOM 687 OG SER A 44 77.284 -13.373 1.975 1.00 0.00 O ATOM 0 H SER A 44 76.040 -12.024 -1.456 1.00 0.00 H new ATOM 0 HA SER A 44 77.010 -14.552 -0.390 1.00 0.00 H new ATOM 0 HB2 SER A 44 77.866 -12.294 0.322 1.00 0.00 H new ATOM 0 HB3 SER A 44 76.272 -11.909 0.941 1.00 0.00 H new ATOM 0 HG SER A 44 77.682 -12.723 2.592 1.00 0.00 H new ATOM 693 N ALA A 45 75.055 -14.959 1.365 1.00 0.00 N ATOM 694 CA ALA A 45 73.851 -15.427 2.019 1.00 0.00 C ATOM 695 C ALA A 45 73.728 -14.738 3.364 1.00 0.00 C ATOM 696 O ALA A 45 72.701 -14.817 4.037 1.00 0.00 O ATOM 697 CB ALA A 45 73.881 -16.941 2.183 1.00 0.00 C ATOM 0 H ALA A 45 75.922 -15.246 1.820 1.00 0.00 H new ATOM 0 HA ALA A 45 72.983 -15.183 1.407 1.00 0.00 H new ATOM 0 HB1 ALA A 45 72.967 -17.272 2.677 1.00 0.00 H new ATOM 0 HB2 ALA A 45 73.955 -17.412 1.203 1.00 0.00 H new ATOM 0 HB3 ALA A 45 74.743 -17.225 2.787 1.00 0.00 H new ATOM 703 N THR A 46 74.796 -14.050 3.738 1.00 0.00 N ATOM 704 CA THR A 46 74.868 -13.359 5.007 1.00 0.00 C ATOM 705 C THR A 46 74.361 -11.927 4.867 1.00 0.00 C ATOM 706 O THR A 46 73.677 -11.413 5.749 1.00 0.00 O ATOM 707 CB THR A 46 76.321 -13.346 5.510 1.00 0.00 C ATOM 708 OG1 THR A 46 76.984 -14.542 5.078 1.00 0.00 O ATOM 709 CG2 THR A 46 76.367 -13.265 7.024 1.00 0.00 C ATOM 0 H THR A 46 75.636 -13.958 3.166 1.00 0.00 H new ATOM 0 HA THR A 46 74.238 -13.884 5.725 1.00 0.00 H new ATOM 0 HB THR A 46 76.823 -12.470 5.099 1.00 0.00 H new ATOM 0 HG1 THR A 46 77.911 -14.535 5.396 1.00 0.00 H new ATOM 0 HG21 THR A 46 77.405 -13.257 7.357 1.00 0.00 H new ATOM 0 HG22 THR A 46 75.873 -12.351 7.355 1.00 0.00 H new ATOM 0 HG23 THR A 46 75.856 -14.128 7.450 1.00 0.00 H new ATOM 717 N TYR A 47 74.705 -11.292 3.753 1.00 0.00 N ATOM 718 CA TYR A 47 74.254 -9.937 3.461 1.00 0.00 C ATOM 719 C TYR A 47 73.729 -9.879 2.036 1.00 0.00 C ATOM 720 O TYR A 47 74.418 -10.299 1.105 1.00 0.00 O ATOM 721 CB TYR A 47 75.398 -8.932 3.636 1.00 0.00 C ATOM 722 CG TYR A 47 76.021 -8.941 5.014 1.00 0.00 C ATOM 723 CD1 TYR A 47 75.440 -8.243 6.064 1.00 0.00 C ATOM 724 CD2 TYR A 47 77.190 -9.648 5.263 1.00 0.00 C ATOM 725 CE1 TYR A 47 76.005 -8.251 7.324 1.00 0.00 C ATOM 726 CE2 TYR A 47 77.760 -9.662 6.519 1.00 0.00 C ATOM 727 CZ TYR A 47 77.163 -8.962 7.546 1.00 0.00 C ATOM 728 OH TYR A 47 77.725 -8.976 8.801 1.00 0.00 O ATOM 0 H TYR A 47 75.300 -11.698 3.031 1.00 0.00 H new ATOM 0 HA TYR A 47 73.459 -9.673 4.158 1.00 0.00 H new ATOM 0 HB2 TYR A 47 76.171 -9.145 2.898 1.00 0.00 H new ATOM 0 HB3 TYR A 47 75.023 -7.930 3.425 1.00 0.00 H new ATOM 0 HD1 TYR A 47 74.531 -7.685 5.893 1.00 0.00 H new ATOM 0 HD2 TYR A 47 77.661 -10.196 4.460 1.00 0.00 H new ATOM 0 HE1 TYR A 47 75.541 -7.703 8.131 1.00 0.00 H new ATOM 0 HE2 TYR A 47 78.669 -10.218 6.697 1.00 0.00 H new ATOM 0 HH TYR A 47 78.537 -9.524 8.790 1.00 0.00 H new ATOM 738 N ASP A 48 72.515 -9.378 1.862 1.00 0.00 N ATOM 739 CA ASP A 48 71.873 -9.395 0.556 1.00 0.00 C ATOM 740 C ASP A 48 72.270 -8.180 -0.292 1.00 0.00 C ATOM 741 O ASP A 48 72.344 -8.267 -1.521 1.00 0.00 O ATOM 742 CB ASP A 48 70.349 -9.445 0.724 1.00 0.00 C ATOM 743 CG ASP A 48 69.881 -10.621 1.568 1.00 0.00 C ATOM 744 OD1 ASP A 48 69.964 -10.538 2.812 1.00 0.00 O ATOM 745 OD2 ASP A 48 69.417 -11.632 0.998 1.00 0.00 O ATOM 0 H ASP A 48 71.957 -8.957 2.605 1.00 0.00 H new ATOM 0 HA ASP A 48 72.213 -10.288 0.031 1.00 0.00 H new ATOM 0 HB2 ASP A 48 70.009 -8.517 1.184 1.00 0.00 H new ATOM 0 HB3 ASP A 48 69.883 -9.503 -0.259 1.00 0.00 H new ATOM 750 N TYR A 49 72.537 -7.044 0.353 1.00 0.00 N ATOM 751 CA TYR A 49 72.794 -5.806 -0.382 1.00 0.00 C ATOM 752 C TYR A 49 74.014 -5.061 0.145 1.00 0.00 C ATOM 753 O TYR A 49 74.386 -5.188 1.312 1.00 0.00 O ATOM 754 CB TYR A 49 71.581 -4.875 -0.296 1.00 0.00 C ATOM 755 CG TYR A 49 70.295 -5.484 -0.801 1.00 0.00 C ATOM 756 CD1 TYR A 49 69.998 -5.512 -2.158 1.00 0.00 C ATOM 757 CD2 TYR A 49 69.379 -6.030 0.083 1.00 0.00 C ATOM 758 CE1 TYR A 49 68.821 -6.070 -2.619 1.00 0.00 C ATOM 759 CE2 TYR A 49 68.198 -6.591 -0.369 1.00 0.00 C ATOM 760 CZ TYR A 49 67.925 -6.608 -1.721 1.00 0.00 C ATOM 761 OH TYR A 49 66.748 -7.163 -2.177 1.00 0.00 O ATOM 0 H TYR A 49 72.581 -6.955 1.368 1.00 0.00 H new ATOM 0 HA TYR A 49 72.985 -6.092 -1.416 1.00 0.00 H new ATOM 0 HB2 TYR A 49 71.443 -4.572 0.742 1.00 0.00 H new ATOM 0 HB3 TYR A 49 71.790 -3.971 -0.867 1.00 0.00 H new ATOM 0 HD1 TYR A 49 70.698 -5.091 -2.864 1.00 0.00 H new ATOM 0 HD2 TYR A 49 69.590 -6.018 1.142 1.00 0.00 H new ATOM 0 HE1 TYR A 49 68.605 -6.084 -3.677 1.00 0.00 H new ATOM 0 HE2 TYR A 49 67.494 -7.013 0.333 1.00 0.00 H new ATOM 0 HH TYR A 49 65.988 -6.653 -1.826 1.00 0.00 H new ATOM 771 N ALA A 50 74.622 -4.278 -0.735 1.00 0.00 N ATOM 772 CA ALA A 50 75.675 -3.356 -0.351 1.00 0.00 C ATOM 773 C ALA A 50 75.131 -1.943 -0.455 1.00 0.00 C ATOM 774 O ALA A 50 74.757 -1.488 -1.542 1.00 0.00 O ATOM 775 CB ALA A 50 76.903 -3.531 -1.230 1.00 0.00 C ATOM 0 H ALA A 50 74.399 -4.266 -1.730 1.00 0.00 H new ATOM 0 HA ALA A 50 75.986 -3.559 0.674 1.00 0.00 H new ATOM 0 HB1 ALA A 50 77.676 -2.828 -0.920 1.00 0.00 H new ATOM 0 HB2 ALA A 50 77.279 -4.549 -1.132 1.00 0.00 H new ATOM 0 HB3 ALA A 50 76.636 -3.342 -2.270 1.00 0.00 H new ATOM 781 N VAL A 51 75.055 -1.267 0.672 1.00 0.00 N ATOM 782 CA VAL A 51 74.384 0.018 0.735 1.00 0.00 C ATOM 783 C VAL A 51 75.367 1.146 1.012 1.00 0.00 C ATOM 784 O VAL A 51 76.197 1.059 1.919 1.00 0.00 O ATOM 785 CB VAL A 51 73.281 0.001 1.817 1.00 0.00 C ATOM 786 CG1 VAL A 51 72.599 1.354 1.936 1.00 0.00 C ATOM 787 CG2 VAL A 51 72.259 -1.084 1.513 1.00 0.00 C ATOM 0 H VAL A 51 75.449 -1.584 1.558 1.00 0.00 H new ATOM 0 HA VAL A 51 73.926 0.198 -0.238 1.00 0.00 H new ATOM 0 HB VAL A 51 73.755 -0.218 2.774 1.00 0.00 H new ATOM 0 HG11 VAL A 51 71.829 1.307 2.706 1.00 0.00 H new ATOM 0 HG12 VAL A 51 73.336 2.110 2.206 1.00 0.00 H new ATOM 0 HG13 VAL A 51 72.142 1.617 0.982 1.00 0.00 H new ATOM 0 HG21 VAL A 51 71.488 -1.084 2.284 1.00 0.00 H new ATOM 0 HG22 VAL A 51 71.802 -0.891 0.542 1.00 0.00 H new ATOM 0 HG23 VAL A 51 72.754 -2.055 1.495 1.00 0.00 H new ATOM 797 N SER A 52 75.277 2.196 0.210 1.00 0.00 N ATOM 798 CA SER A 52 76.077 3.385 0.428 1.00 0.00 C ATOM 799 C SER A 52 75.392 4.279 1.453 1.00 0.00 C ATOM 800 O SER A 52 74.399 4.947 1.154 1.00 0.00 O ATOM 801 CB SER A 52 76.304 4.134 -0.891 1.00 0.00 C ATOM 802 OG SER A 52 75.079 4.413 -1.547 1.00 0.00 O ATOM 0 H SER A 52 74.656 2.246 -0.598 1.00 0.00 H new ATOM 0 HA SER A 52 77.054 3.093 0.814 1.00 0.00 H new ATOM 0 HB2 SER A 52 76.834 5.066 -0.695 1.00 0.00 H new ATOM 0 HB3 SER A 52 76.940 3.537 -1.545 1.00 0.00 H new ATOM 0 HG SER A 52 74.588 3.577 -1.693 1.00 0.00 H new ATOM 808 N ASP A 53 75.913 4.248 2.668 1.00 0.00 N ATOM 809 CA ASP A 53 75.364 5.005 3.785 1.00 0.00 C ATOM 810 C ASP A 53 75.365 6.502 3.474 1.00 0.00 C ATOM 811 O ASP A 53 76.100 6.959 2.594 1.00 0.00 O ATOM 812 CB ASP A 53 76.195 4.706 5.044 1.00 0.00 C ATOM 813 CG ASP A 53 75.671 5.360 6.308 1.00 0.00 C ATOM 814 OD1 ASP A 53 75.927 6.562 6.505 1.00 0.00 O ATOM 815 OD2 ASP A 53 75.039 4.664 7.128 1.00 0.00 O ATOM 0 H ASP A 53 76.734 3.694 2.911 1.00 0.00 H new ATOM 0 HA ASP A 53 74.330 4.706 3.956 1.00 0.00 H new ATOM 0 HB2 ASP A 53 76.229 3.627 5.195 1.00 0.00 H new ATOM 0 HB3 ASP A 53 77.220 5.037 4.876 1.00 0.00 H new ATOM 820 N GLU A 54 74.526 7.249 4.178 1.00 0.00 N ATOM 821 CA GLU A 54 74.427 8.696 4.013 1.00 0.00 C ATOM 822 C GLU A 54 75.772 9.384 4.256 1.00 0.00 C ATOM 823 O GLU A 54 76.026 10.473 3.743 1.00 0.00 O ATOM 824 CB GLU A 54 73.373 9.238 4.979 1.00 0.00 C ATOM 825 CG GLU A 54 72.838 10.609 4.608 1.00 0.00 C ATOM 826 CD GLU A 54 71.656 11.008 5.467 1.00 0.00 C ATOM 827 OE1 GLU A 54 70.685 10.226 5.551 1.00 0.00 O ATOM 828 OE2 GLU A 54 71.681 12.113 6.052 1.00 0.00 O ATOM 0 H GLU A 54 73.893 6.870 4.882 1.00 0.00 H new ATOM 0 HA GLU A 54 74.134 8.909 2.985 1.00 0.00 H new ATOM 0 HB2 GLU A 54 72.541 8.535 5.024 1.00 0.00 H new ATOM 0 HB3 GLU A 54 73.803 9.286 5.979 1.00 0.00 H new ATOM 0 HG2 GLU A 54 73.631 11.349 4.716 1.00 0.00 H new ATOM 0 HG3 GLU A 54 72.541 10.611 3.559 1.00 0.00 H new ATOM 835 N THR A 55 76.631 8.746 5.042 1.00 0.00 N ATOM 836 CA THR A 55 77.962 9.275 5.311 1.00 0.00 C ATOM 837 C THR A 55 78.922 8.979 4.158 1.00 0.00 C ATOM 838 O THR A 55 80.043 9.487 4.119 1.00 0.00 O ATOM 839 CB THR A 55 78.538 8.694 6.615 1.00 0.00 C ATOM 840 OG1 THR A 55 78.411 7.265 6.608 1.00 0.00 O ATOM 841 CG2 THR A 55 77.820 9.264 7.829 1.00 0.00 C ATOM 0 H THR A 55 76.429 7.860 5.505 1.00 0.00 H new ATOM 0 HA THR A 55 77.860 10.355 5.417 1.00 0.00 H new ATOM 0 HB THR A 55 79.591 8.969 6.676 1.00 0.00 H new ATOM 0 HG1 THR A 55 77.481 7.018 6.794 1.00 0.00 H new ATOM 0 HG21 THR A 55 78.246 8.837 8.737 1.00 0.00 H new ATOM 0 HG22 THR A 55 77.939 10.347 7.847 1.00 0.00 H new ATOM 0 HG23 THR A 55 76.760 9.016 7.774 1.00 0.00 H new ATOM 849 N GLY A 56 78.475 8.155 3.222 1.00 0.00 N ATOM 850 CA GLY A 56 79.306 7.789 2.089 1.00 0.00 C ATOM 851 C GLY A 56 80.003 6.460 2.293 1.00 0.00 C ATOM 852 O GLY A 56 80.694 5.969 1.398 1.00 0.00 O ATOM 0 H GLY A 56 77.548 7.730 3.225 1.00 0.00 H new ATOM 0 HA2 GLY A 56 78.691 7.740 1.191 1.00 0.00 H new ATOM 0 HA3 GLY A 56 80.052 8.566 1.922 1.00 0.00 H new ATOM 856 N ASP A 57 79.818 5.880 3.467 1.00 0.00 N ATOM 857 CA ASP A 57 80.446 4.607 3.810 1.00 0.00 C ATOM 858 C ASP A 57 79.667 3.445 3.205 1.00 0.00 C ATOM 859 O ASP A 57 78.439 3.428 3.248 1.00 0.00 O ATOM 860 CB ASP A 57 80.508 4.458 5.332 1.00 0.00 C ATOM 861 CG ASP A 57 81.259 3.220 5.773 1.00 0.00 C ATOM 862 OD1 ASP A 57 82.498 3.290 5.908 1.00 0.00 O ATOM 863 OD2 ASP A 57 80.617 2.173 6.001 1.00 0.00 O ATOM 0 H ASP A 57 79.234 6.271 4.206 1.00 0.00 H new ATOM 0 HA ASP A 57 81.457 4.594 3.403 1.00 0.00 H new ATOM 0 HB2 ASP A 57 80.987 5.339 5.759 1.00 0.00 H new ATOM 0 HB3 ASP A 57 79.494 4.423 5.730 1.00 0.00 H new ATOM 868 N ILE A 58 80.368 2.479 2.634 1.00 0.00 N ATOM 869 CA ILE A 58 79.713 1.312 2.063 1.00 0.00 C ATOM 870 C ILE A 58 79.536 0.237 3.125 1.00 0.00 C ATOM 871 O ILE A 58 80.505 -0.365 3.582 1.00 0.00 O ATOM 872 CB ILE A 58 80.500 0.728 0.870 1.00 0.00 C ATOM 873 CG1 ILE A 58 80.665 1.784 -0.226 1.00 0.00 C ATOM 874 CG2 ILE A 58 79.789 -0.503 0.319 1.00 0.00 C ATOM 875 CD1 ILE A 58 81.417 1.285 -1.437 1.00 0.00 C ATOM 0 H ILE A 58 81.385 2.479 2.553 1.00 0.00 H new ATOM 0 HA ILE A 58 78.740 1.638 1.696 1.00 0.00 H new ATOM 0 HB ILE A 58 81.490 0.431 1.217 1.00 0.00 H new ATOM 0 HG12 ILE A 58 79.679 2.130 -0.538 1.00 0.00 H new ATOM 0 HG13 ILE A 58 81.189 2.646 0.187 1.00 0.00 H new ATOM 0 HG21 ILE A 58 80.355 -0.904 -0.522 1.00 0.00 H new ATOM 0 HG22 ILE A 58 79.714 -1.260 1.100 1.00 0.00 H new ATOM 0 HG23 ILE A 58 78.789 -0.226 -0.016 1.00 0.00 H new ATOM 0 HD11 ILE A 58 81.496 2.086 -2.172 1.00 0.00 H new ATOM 0 HD12 ILE A 58 82.416 0.966 -1.139 1.00 0.00 H new ATOM 0 HD13 ILE A 58 80.883 0.442 -1.875 1.00 0.00 H new ATOM 887 N THR A 59 78.300 0.013 3.528 1.00 0.00 N ATOM 888 CA THR A 59 78.003 -0.971 4.548 1.00 0.00 C ATOM 889 C THR A 59 77.136 -2.078 3.956 1.00 0.00 C ATOM 890 O THR A 59 76.312 -1.825 3.075 1.00 0.00 O ATOM 891 CB THR A 59 77.278 -0.326 5.748 1.00 0.00 C ATOM 892 OG1 THR A 59 77.910 0.916 6.097 1.00 0.00 O ATOM 893 CG2 THR A 59 77.295 -1.256 6.954 1.00 0.00 C ATOM 0 H THR A 59 77.483 0.502 3.162 1.00 0.00 H new ATOM 0 HA THR A 59 78.944 -1.391 4.904 1.00 0.00 H new ATOM 0 HB THR A 59 76.243 -0.142 5.459 1.00 0.00 H new ATOM 0 HG1 THR A 59 78.863 0.872 5.874 1.00 0.00 H new ATOM 0 HG21 THR A 59 76.778 -0.780 7.788 1.00 0.00 H new ATOM 0 HG22 THR A 59 76.792 -2.189 6.701 1.00 0.00 H new ATOM 0 HG23 THR A 59 78.326 -1.465 7.238 1.00 0.00 H new ATOM 901 N TYR A 60 77.338 -3.300 4.416 1.00 0.00 N ATOM 902 CA TYR A 60 76.577 -4.429 3.910 1.00 0.00 C ATOM 903 C TYR A 60 75.346 -4.657 4.776 1.00 0.00 C ATOM 904 O TYR A 60 75.435 -4.651 6.002 1.00 0.00 O ATOM 905 CB TYR A 60 77.448 -5.685 3.889 1.00 0.00 C ATOM 906 CG TYR A 60 78.789 -5.481 3.218 1.00 0.00 C ATOM 907 CD1 TYR A 60 78.870 -5.074 1.893 1.00 0.00 C ATOM 908 CD2 TYR A 60 79.974 -5.687 3.915 1.00 0.00 C ATOM 909 CE1 TYR A 60 80.092 -4.881 1.280 1.00 0.00 C ATOM 910 CE2 TYR A 60 81.200 -5.498 3.309 1.00 0.00 C ATOM 911 CZ TYR A 60 81.255 -5.093 1.991 1.00 0.00 C ATOM 912 OH TYR A 60 82.473 -4.901 1.384 1.00 0.00 O ATOM 0 H TYR A 60 78.020 -3.536 5.137 1.00 0.00 H new ATOM 0 HA TYR A 60 76.256 -4.210 2.892 1.00 0.00 H new ATOM 0 HB2 TYR A 60 77.611 -6.021 4.913 1.00 0.00 H new ATOM 0 HB3 TYR A 60 76.911 -6.481 3.374 1.00 0.00 H new ATOM 0 HD1 TYR A 60 77.962 -4.906 1.333 1.00 0.00 H new ATOM 0 HD2 TYR A 60 79.935 -6.000 4.948 1.00 0.00 H new ATOM 0 HE1 TYR A 60 80.137 -4.565 0.248 1.00 0.00 H new ATOM 0 HE2 TYR A 60 82.111 -5.666 3.864 1.00 0.00 H new ATOM 0 HH TYR A 60 83.191 -5.092 2.023 1.00 0.00 H new ATOM 922 N PHE A 61 74.202 -4.848 4.139 1.00 0.00 N ATOM 923 CA PHE A 61 72.956 -5.047 4.860 1.00 0.00 C ATOM 924 C PHE A 61 72.162 -6.178 4.235 1.00 0.00 C ATOM 925 O PHE A 61 72.517 -6.690 3.170 1.00 0.00 O ATOM 926 CB PHE A 61 72.105 -3.773 4.844 1.00 0.00 C ATOM 927 CG PHE A 61 72.706 -2.607 5.576 1.00 0.00 C ATOM 928 CD1 PHE A 61 72.668 -2.544 6.957 1.00 0.00 C ATOM 929 CD2 PHE A 61 73.297 -1.565 4.879 1.00 0.00 C ATOM 930 CE1 PHE A 61 73.210 -1.467 7.629 1.00 0.00 C ATOM 931 CE2 PHE A 61 73.840 -0.486 5.546 1.00 0.00 C ATOM 932 CZ PHE A 61 73.796 -0.438 6.925 1.00 0.00 C ATOM 0 H PHE A 61 74.111 -4.869 3.123 1.00 0.00 H new ATOM 0 HA PHE A 61 73.205 -5.297 5.891 1.00 0.00 H new ATOM 0 HB2 PHE A 61 71.929 -3.483 3.808 1.00 0.00 H new ATOM 0 HB3 PHE A 61 71.132 -3.997 5.282 1.00 0.00 H new ATOM 0 HD1 PHE A 61 72.209 -3.346 7.516 1.00 0.00 H new ATOM 0 HD2 PHE A 61 73.333 -1.598 3.800 1.00 0.00 H new ATOM 0 HE1 PHE A 61 73.175 -1.431 8.708 1.00 0.00 H new ATOM 0 HE2 PHE A 61 74.298 0.319 4.991 1.00 0.00 H new ATOM 0 HZ PHE A 61 74.220 0.405 7.451 1.00 0.00 H new ATOM 942 N LYS A 62 71.095 -6.567 4.900 1.00 0.00 N ATOM 943 CA LYS A 62 70.160 -7.520 4.345 1.00 0.00 C ATOM 944 C LYS A 62 68.888 -6.797 3.937 1.00 0.00 C ATOM 945 O LYS A 62 68.779 -5.578 4.071 1.00 0.00 O ATOM 946 CB LYS A 62 69.830 -8.610 5.366 1.00 0.00 C ATOM 947 CG LYS A 62 70.981 -9.556 5.660 1.00 0.00 C ATOM 948 CD LYS A 62 70.584 -10.601 6.687 1.00 0.00 C ATOM 949 CE LYS A 62 69.274 -11.280 6.317 1.00 0.00 C ATOM 950 NZ LYS A 62 69.341 -11.965 4.999 1.00 0.00 N ATOM 0 H LYS A 62 70.853 -6.234 5.833 1.00 0.00 H new ATOM 0 HA LYS A 62 70.613 -7.991 3.473 1.00 0.00 H new ATOM 0 HB2 LYS A 62 69.516 -8.137 6.297 1.00 0.00 H new ATOM 0 HB3 LYS A 62 68.982 -9.190 5.001 1.00 0.00 H new ATOM 0 HG2 LYS A 62 71.295 -10.048 4.739 1.00 0.00 H new ATOM 0 HG3 LYS A 62 71.837 -8.989 6.026 1.00 0.00 H new ATOM 0 HD2 LYS A 62 71.372 -11.350 6.769 1.00 0.00 H new ATOM 0 HD3 LYS A 62 70.487 -10.132 7.666 1.00 0.00 H new ATOM 0 HE2 LYS A 62 69.014 -12.006 7.088 1.00 0.00 H new ATOM 0 HE3 LYS A 62 68.476 -10.537 6.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 68.508 -12.576 4.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 69.359 -11.255 4.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 70.204 -12.544 4.952 1.00 0.00 H new ATOM 964 N GLU A 63 67.925 -7.550 3.448 1.00 0.00 N ATOM 965 CA GLU A 63 66.620 -6.994 3.085 1.00 0.00 C ATOM 966 C GLU A 63 65.731 -6.824 4.319 1.00 0.00 C ATOM 967 O GLU A 63 64.573 -6.418 4.216 1.00 0.00 O ATOM 968 CB GLU A 63 65.922 -7.870 2.034 1.00 0.00 C ATOM 969 CG GLU A 63 66.605 -9.207 1.765 1.00 0.00 C ATOM 970 CD GLU A 63 66.380 -10.235 2.857 1.00 0.00 C ATOM 971 OE1 GLU A 63 67.017 -10.137 3.923 1.00 0.00 O ATOM 972 OE2 GLU A 63 65.576 -11.165 2.643 1.00 0.00 O ATOM 0 H GLU A 63 68.013 -8.554 3.289 1.00 0.00 H new ATOM 0 HA GLU A 63 66.789 -6.009 2.650 1.00 0.00 H new ATOM 0 HB2 GLU A 63 64.899 -8.059 2.359 1.00 0.00 H new ATOM 0 HB3 GLU A 63 65.862 -7.313 1.099 1.00 0.00 H new ATOM 0 HG2 GLU A 63 66.240 -9.608 0.819 1.00 0.00 H new ATOM 0 HG3 GLU A 63 67.676 -9.041 1.649 1.00 0.00 H new ATOM 979 N HIS A 64 66.288 -7.118 5.482 1.00 0.00 N ATOM 980 CA HIS A 64 65.555 -7.013 6.735 1.00 0.00 C ATOM 981 C HIS A 64 65.742 -5.638 7.377 1.00 0.00 C ATOM 982 O HIS A 64 64.795 -5.055 7.905 1.00 0.00 O ATOM 983 CB HIS A 64 66.013 -8.126 7.688 1.00 0.00 C ATOM 984 CG HIS A 64 65.517 -7.978 9.094 1.00 0.00 C ATOM 985 ND1 HIS A 64 66.321 -7.552 10.126 1.00 0.00 N ATOM 986 CD2 HIS A 64 64.301 -8.208 9.640 1.00 0.00 C ATOM 987 CE1 HIS A 64 65.625 -7.523 11.244 1.00 0.00 C ATOM 988 NE2 HIS A 64 64.393 -7.919 10.980 1.00 0.00 N ATOM 0 H HIS A 64 67.252 -7.434 5.586 1.00 0.00 H new ATOM 0 HA HIS A 64 64.491 -7.131 6.528 1.00 0.00 H new ATOM 0 HB2 HIS A 64 65.676 -9.085 7.296 1.00 0.00 H new ATOM 0 HB3 HIS A 64 67.103 -8.152 7.701 1.00 0.00 H new ATOM 0 HD1 HIS A 64 67.305 -7.298 10.039 1.00 0.00 H new ATOM 0 HD2 HIS A 64 63.421 -8.555 9.119 1.00 0.00 H new ATOM 0 HE1 HIS A 64 65.999 -7.226 12.213 1.00 0.00 H new ATOM 997 N GLU A 65 66.957 -5.123 7.317 1.00 0.00 N ATOM 998 CA GLU A 65 67.304 -3.875 7.993 1.00 0.00 C ATOM 999 C GLU A 65 66.892 -2.663 7.168 1.00 0.00 C ATOM 1000 O GLU A 65 66.864 -1.539 7.670 1.00 0.00 O ATOM 1001 CB GLU A 65 68.817 -3.798 8.263 1.00 0.00 C ATOM 1002 CG GLU A 65 69.360 -4.875 9.196 1.00 0.00 C ATOM 1003 CD GLU A 65 69.227 -6.263 8.617 1.00 0.00 C ATOM 1004 OE1 GLU A 65 69.596 -6.448 7.441 1.00 0.00 O ATOM 1005 OE2 GLU A 65 68.703 -7.151 9.318 1.00 0.00 O ATOM 0 H GLU A 65 67.729 -5.550 6.804 1.00 0.00 H new ATOM 0 HA GLU A 65 66.762 -3.866 8.939 1.00 0.00 H new ATOM 0 HB2 GLU A 65 69.345 -3.863 7.311 1.00 0.00 H new ATOM 0 HB3 GLU A 65 69.046 -2.821 8.688 1.00 0.00 H new ATOM 0 HG2 GLU A 65 70.410 -4.672 9.407 1.00 0.00 H new ATOM 0 HG3 GLU A 65 68.829 -4.829 10.147 1.00 0.00 H new ATOM 1012 N LEU A 66 66.562 -2.892 5.909 1.00 0.00 N ATOM 1013 CA LEU A 66 66.339 -1.797 4.977 1.00 0.00 C ATOM 1014 C LEU A 66 64.863 -1.616 4.647 1.00 0.00 C ATOM 1015 O LEU A 66 64.130 -2.585 4.455 1.00 0.00 O ATOM 1016 CB LEU A 66 67.119 -2.050 3.688 1.00 0.00 C ATOM 1017 CG LEU A 66 68.613 -2.304 3.872 1.00 0.00 C ATOM 1018 CD1 LEU A 66 69.254 -2.664 2.545 1.00 0.00 C ATOM 1019 CD2 LEU A 66 69.293 -1.088 4.479 1.00 0.00 C ATOM 0 H LEU A 66 66.442 -3.822 5.508 1.00 0.00 H new ATOM 0 HA LEU A 66 66.688 -0.883 5.457 1.00 0.00 H new ATOM 0 HB2 LEU A 66 66.681 -2.909 3.179 1.00 0.00 H new ATOM 0 HB3 LEU A 66 66.991 -1.190 3.030 1.00 0.00 H new ATOM 0 HG LEU A 66 68.738 -3.143 4.557 1.00 0.00 H new ATOM 0 HD11 LEU A 66 70.319 -2.842 2.692 1.00 0.00 H new ATOM 0 HD12 LEU A 66 68.787 -3.565 2.148 1.00 0.00 H new ATOM 0 HD13 LEU A 66 69.117 -1.844 1.840 1.00 0.00 H new ATOM 0 HD21 LEU A 66 70.357 -1.290 4.602 1.00 0.00 H new ATOM 0 HD22 LEU A 66 69.160 -0.230 3.820 1.00 0.00 H new ATOM 0 HD23 LEU A 66 68.850 -0.871 5.451 1.00 0.00 H new ATOM 1031 N THR A 67 64.431 -0.363 4.603 1.00 0.00 N ATOM 1032 CA THR A 67 63.102 -0.022 4.113 1.00 0.00 C ATOM 1033 C THR A 67 63.213 0.979 2.964 1.00 0.00 C ATOM 1034 O THR A 67 63.845 2.025 3.113 1.00 0.00 O ATOM 1035 CB THR A 67 62.216 0.570 5.230 1.00 0.00 C ATOM 1036 OG1 THR A 67 61.997 -0.417 6.243 1.00 0.00 O ATOM 1037 CG2 THR A 67 60.872 1.051 4.688 1.00 0.00 C ATOM 0 H THR A 67 64.986 0.439 4.903 1.00 0.00 H new ATOM 0 HA THR A 67 62.633 -0.941 3.761 1.00 0.00 H new ATOM 0 HB THR A 67 62.737 1.430 5.651 1.00 0.00 H new ATOM 0 HG1 THR A 67 62.805 -0.510 6.790 1.00 0.00 H new ATOM 0 HG21 THR A 67 60.276 1.461 5.504 1.00 0.00 H new ATOM 0 HG22 THR A 67 61.038 1.823 3.936 1.00 0.00 H new ATOM 0 HG23 THR A 67 60.341 0.213 4.237 1.00 0.00 H new ATOM 1045 N PRO A 68 62.627 0.654 1.801 1.00 0.00 N ATOM 1046 CA PRO A 68 62.668 1.515 0.613 1.00 0.00 C ATOM 1047 C PRO A 68 61.942 2.839 0.825 1.00 0.00 C ATOM 1048 O PRO A 68 60.807 2.868 1.298 1.00 0.00 O ATOM 1049 CB PRO A 68 61.956 0.690 -0.468 1.00 0.00 C ATOM 1050 CG PRO A 68 61.927 -0.704 0.059 1.00 0.00 C ATOM 1051 CD PRO A 68 61.875 -0.580 1.553 1.00 0.00 C ATOM 0 HA PRO A 68 63.692 1.786 0.355 1.00 0.00 H new ATOM 0 HB2 PRO A 68 60.948 1.064 -0.648 1.00 0.00 H new ATOM 0 HB3 PRO A 68 62.489 0.741 -1.417 1.00 0.00 H new ATOM 0 HG2 PRO A 68 61.060 -1.246 -0.318 1.00 0.00 H new ATOM 0 HG3 PRO A 68 62.811 -1.259 -0.256 1.00 0.00 H new ATOM 0 HD2 PRO A 68 60.850 -0.510 1.918 1.00 0.00 H new ATOM 0 HD3 PRO A 68 62.331 -1.438 2.047 1.00 0.00 H new ATOM 1059 N LEU A 69 62.598 3.927 0.455 1.00 0.00 N ATOM 1060 CA LEU A 69 62.019 5.259 0.579 1.00 0.00 C ATOM 1061 C LEU A 69 61.305 5.652 -0.709 1.00 0.00 C ATOM 1062 O LEU A 69 61.168 6.833 -1.027 1.00 0.00 O ATOM 1063 CB LEU A 69 63.117 6.275 0.896 1.00 0.00 C ATOM 1064 CG LEU A 69 63.887 6.012 2.187 1.00 0.00 C ATOM 1065 CD1 LEU A 69 65.035 6.996 2.325 1.00 0.00 C ATOM 1066 CD2 LEU A 69 62.961 6.106 3.390 1.00 0.00 C ATOM 0 H LEU A 69 63.540 3.915 0.063 1.00 0.00 H new ATOM 0 HA LEU A 69 61.292 5.249 1.391 1.00 0.00 H new ATOM 0 HB2 LEU A 69 63.824 6.294 0.067 1.00 0.00 H new ATOM 0 HB3 LEU A 69 62.668 7.266 0.954 1.00 0.00 H new ATOM 0 HG LEU A 69 64.296 5.002 2.146 1.00 0.00 H new ATOM 0 HD11 LEU A 69 65.576 6.797 3.250 1.00 0.00 H new ATOM 0 HD12 LEU A 69 65.712 6.886 1.478 1.00 0.00 H new ATOM 0 HD13 LEU A 69 64.642 8.013 2.346 1.00 0.00 H new ATOM 0 HD21 LEU A 69 63.528 5.916 4.301 1.00 0.00 H new ATOM 0 HD22 LEU A 69 62.524 7.104 3.436 1.00 0.00 H new ATOM 0 HD23 LEU A 69 62.166 5.366 3.296 1.00 0.00 H new ATOM 1078 N LYS A 70 60.832 4.653 -1.429 1.00 0.00 N ATOM 1079 CA LYS A 70 60.204 4.882 -2.719 1.00 0.00 C ATOM 1080 C LYS A 70 58.709 5.118 -2.539 1.00 0.00 C ATOM 1081 O LYS A 70 57.929 4.174 -2.395 1.00 0.00 O ATOM 1082 CB LYS A 70 60.453 3.692 -3.653 1.00 0.00 C ATOM 1083 CG LYS A 70 60.242 4.011 -5.126 1.00 0.00 C ATOM 1084 CD LYS A 70 61.211 5.079 -5.602 1.00 0.00 C ATOM 1085 CE LYS A 70 61.093 5.327 -7.100 1.00 0.00 C ATOM 1086 NZ LYS A 70 59.710 5.701 -7.503 1.00 0.00 N ATOM 0 H LYS A 70 60.870 3.674 -1.144 1.00 0.00 H new ATOM 0 HA LYS A 70 60.644 5.770 -3.172 1.00 0.00 H new ATOM 0 HB2 LYS A 70 61.474 3.338 -3.510 1.00 0.00 H new ATOM 0 HB3 LYS A 70 59.790 2.875 -3.369 1.00 0.00 H new ATOM 0 HG2 LYS A 70 60.374 3.106 -5.719 1.00 0.00 H new ATOM 0 HG3 LYS A 70 59.218 4.349 -5.284 1.00 0.00 H new ATOM 0 HD2 LYS A 70 61.020 6.008 -5.064 1.00 0.00 H new ATOM 0 HD3 LYS A 70 62.231 4.776 -5.363 1.00 0.00 H new ATOM 0 HE2 LYS A 70 61.781 6.121 -7.390 1.00 0.00 H new ATOM 0 HE3 LYS A 70 61.396 4.430 -7.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 59.709 6.007 -8.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 59.082 4.879 -7.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 59.371 6.479 -6.901 1.00 0.00 H new ATOM 1100 N GLY A 71 58.323 6.383 -2.520 1.00 0.00 N ATOM 1101 CA GLY A 71 56.929 6.731 -2.338 1.00 0.00 C ATOM 1102 C GLY A 71 56.550 7.991 -3.083 1.00 0.00 C ATOM 1103 O GLY A 71 55.520 8.036 -3.756 1.00 0.00 O ATOM 0 H GLY A 71 58.952 7.179 -2.628 1.00 0.00 H new ATOM 0 HA2 GLY A 71 56.303 5.907 -2.681 1.00 0.00 H new ATOM 0 HA3 GLY A 71 56.726 6.865 -1.275 1.00 0.00 H new ATOM 1107 N GLY A 72 57.387 9.012 -2.976 1.00 0.00 N ATOM 1108 CA GLY A 72 57.118 10.262 -3.654 1.00 0.00 C ATOM 1109 C GLY A 72 56.590 11.315 -2.709 1.00 0.00 C ATOM 1110 O GLY A 72 57.231 11.637 -1.708 1.00 0.00 O ATOM 0 H GLY A 72 58.249 8.997 -2.431 1.00 0.00 H new ATOM 0 HA2 GLY A 72 58.032 10.623 -4.125 1.00 0.00 H new ATOM 0 HA3 GLY A 72 56.394 10.094 -4.451 1.00 0.00 H new ATOM 1114 N LEU A 73 55.418 11.848 -3.016 1.00 0.00 N ATOM 1115 CA LEU A 73 54.797 12.859 -2.174 1.00 0.00 C ATOM 1116 C LEU A 73 53.547 12.298 -1.508 1.00 0.00 C ATOM 1117 O LEU A 73 52.500 12.167 -2.141 1.00 0.00 O ATOM 1118 CB LEU A 73 54.441 14.107 -2.987 1.00 0.00 C ATOM 1119 CG LEU A 73 55.630 14.846 -3.606 1.00 0.00 C ATOM 1120 CD1 LEU A 73 55.149 16.035 -4.422 1.00 0.00 C ATOM 1121 CD2 LEU A 73 56.604 15.296 -2.526 1.00 0.00 C ATOM 0 H LEU A 73 54.877 11.597 -3.843 1.00 0.00 H new ATOM 0 HA LEU A 73 55.514 13.143 -1.404 1.00 0.00 H new ATOM 0 HB2 LEU A 73 53.759 13.817 -3.786 1.00 0.00 H new ATOM 0 HB3 LEU A 73 53.900 14.799 -2.341 1.00 0.00 H new ATOM 0 HG LEU A 73 56.153 14.160 -4.272 1.00 0.00 H new ATOM 0 HD11 LEU A 73 56.007 16.550 -4.855 1.00 0.00 H new ATOM 0 HD12 LEU A 73 54.493 15.687 -5.220 1.00 0.00 H new ATOM 0 HD13 LEU A 73 54.602 16.722 -3.776 1.00 0.00 H new ATOM 0 HD21 LEU A 73 57.442 15.819 -2.987 1.00 0.00 H new ATOM 0 HD22 LEU A 73 56.095 15.966 -1.833 1.00 0.00 H new ATOM 0 HD23 LEU A 73 56.974 14.426 -1.984 1.00 0.00 H new ATOM 1133 N ALA A 74 53.669 11.951 -0.237 1.00 0.00 N ATOM 1134 CA ALA A 74 52.554 11.393 0.508 1.00 0.00 C ATOM 1135 C ALA A 74 52.266 12.223 1.754 1.00 0.00 C ATOM 1136 O ALA A 74 52.790 11.947 2.835 1.00 0.00 O ATOM 1137 CB ALA A 74 52.826 9.940 0.876 1.00 0.00 C ATOM 0 H ALA A 74 54.531 12.046 0.300 1.00 0.00 H new ATOM 0 HA ALA A 74 51.670 11.422 -0.129 1.00 0.00 H new ATOM 0 HB1 ALA A 74 51.979 9.541 1.434 1.00 0.00 H new ATOM 0 HB2 ALA A 74 52.970 9.355 -0.033 1.00 0.00 H new ATOM 0 HB3 ALA A 74 53.724 9.882 1.491 1.00 0.00 H new ATOM 1143 N TYR A 75 51.468 13.269 1.586 1.00 0.00 N ATOM 1144 CA TYR A 75 51.065 14.119 2.699 1.00 0.00 C ATOM 1145 C TYR A 75 49.555 14.317 2.659 1.00 0.00 C ATOM 1146 O TYR A 75 48.842 13.928 3.585 1.00 0.00 O ATOM 1147 CB TYR A 75 51.769 15.481 2.640 1.00 0.00 C ATOM 1148 CG TYR A 75 53.277 15.399 2.548 1.00 0.00 C ATOM 1149 CD1 TYR A 75 54.061 15.290 3.689 1.00 0.00 C ATOM 1150 CD2 TYR A 75 53.914 15.438 1.314 1.00 0.00 C ATOM 1151 CE1 TYR A 75 55.439 15.223 3.602 1.00 0.00 C ATOM 1152 CE2 TYR A 75 55.289 15.372 1.219 1.00 0.00 C ATOM 1153 CZ TYR A 75 56.047 15.264 2.367 1.00 0.00 C ATOM 1154 OH TYR A 75 57.418 15.201 2.274 1.00 0.00 O ATOM 0 H TYR A 75 51.085 13.551 0.684 1.00 0.00 H new ATOM 0 HA TYR A 75 51.353 13.631 3.630 1.00 0.00 H new ATOM 0 HB2 TYR A 75 51.394 16.034 1.779 1.00 0.00 H new ATOM 0 HB3 TYR A 75 51.501 16.054 3.528 1.00 0.00 H new ATOM 0 HD1 TYR A 75 53.587 15.257 4.659 1.00 0.00 H new ATOM 0 HD2 TYR A 75 53.323 15.521 0.414 1.00 0.00 H new ATOM 0 HE1 TYR A 75 56.036 15.139 4.498 1.00 0.00 H new ATOM 0 HE2 TYR A 75 55.769 15.405 0.252 1.00 0.00 H new ATOM 0 HH TYR A 75 57.684 15.241 1.332 1.00 0.00 H new ATOM 1164 N VAL A 76 49.090 14.912 1.558 1.00 0.00 N ATOM 1165 CA VAL A 76 47.661 15.119 1.302 1.00 0.00 C ATOM 1166 C VAL A 76 47.057 16.150 2.253 1.00 0.00 C ATOM 1167 O VAL A 76 46.879 15.896 3.445 1.00 0.00 O ATOM 1168 CB VAL A 76 46.856 13.800 1.383 1.00 0.00 C ATOM 1169 CG1 VAL A 76 45.374 14.044 1.120 1.00 0.00 C ATOM 1170 CG2 VAL A 76 47.405 12.773 0.402 1.00 0.00 C ATOM 0 H VAL A 76 49.695 15.265 0.816 1.00 0.00 H new ATOM 0 HA VAL A 76 47.591 15.501 0.283 1.00 0.00 H new ATOM 0 HB VAL A 76 46.962 13.407 2.394 1.00 0.00 H new ATOM 0 HG11 VAL A 76 44.833 13.100 1.183 1.00 0.00 H new ATOM 0 HG12 VAL A 76 44.982 14.738 1.864 1.00 0.00 H new ATOM 0 HG13 VAL A 76 45.246 14.469 0.125 1.00 0.00 H new ATOM 0 HG21 VAL A 76 46.825 11.853 0.475 1.00 0.00 H new ATOM 0 HG22 VAL A 76 47.336 13.166 -0.612 1.00 0.00 H new ATOM 0 HG23 VAL A 76 48.448 12.564 0.640 1.00 0.00 H new ATOM 1180 N LEU A 77 46.744 17.317 1.712 1.00 0.00 N ATOM 1181 CA LEU A 77 46.104 18.373 2.483 1.00 0.00 C ATOM 1182 C LEU A 77 44.590 18.260 2.355 1.00 0.00 C ATOM 1183 O LEU A 77 44.083 17.805 1.325 1.00 0.00 O ATOM 1184 CB LEU A 77 46.575 19.746 1.993 1.00 0.00 C ATOM 1185 CG LEU A 77 46.037 20.950 2.774 1.00 0.00 C ATOM 1186 CD1 LEU A 77 46.559 20.936 4.202 1.00 0.00 C ATOM 1187 CD2 LEU A 77 46.415 22.248 2.076 1.00 0.00 C ATOM 0 H LEU A 77 46.924 17.558 0.737 1.00 0.00 H new ATOM 0 HA LEU A 77 46.381 18.264 3.532 1.00 0.00 H new ATOM 0 HB2 LEU A 77 47.664 19.770 2.029 1.00 0.00 H new ATOM 0 HB3 LEU A 77 46.288 19.857 0.947 1.00 0.00 H new ATOM 0 HG LEU A 77 44.950 20.883 2.808 1.00 0.00 H new ATOM 0 HD11 LEU A 77 46.167 21.798 4.741 1.00 0.00 H new ATOM 0 HD12 LEU A 77 46.237 20.020 4.698 1.00 0.00 H new ATOM 0 HD13 LEU A 77 47.648 20.979 4.192 1.00 0.00 H new ATOM 0 HD21 LEU A 77 46.025 23.093 2.643 1.00 0.00 H new ATOM 0 HD22 LEU A 77 47.500 22.324 2.012 1.00 0.00 H new ATOM 0 HD23 LEU A 77 45.990 22.258 1.072 1.00 0.00 H new ATOM 1199 N GLU A 78 43.875 18.649 3.405 1.00 0.00 N ATOM 1200 CA GLU A 78 42.418 18.624 3.392 1.00 0.00 C ATOM 1201 C GLU A 78 41.887 19.548 2.299 1.00 0.00 C ATOM 1202 O GLU A 78 42.198 20.739 2.271 1.00 0.00 O ATOM 1203 CB GLU A 78 41.863 19.045 4.753 1.00 0.00 C ATOM 1204 CG GLU A 78 40.365 18.837 4.885 1.00 0.00 C ATOM 1205 CD GLU A 78 39.821 19.320 6.209 1.00 0.00 C ATOM 1206 OE1 GLU A 78 40.096 18.678 7.240 1.00 0.00 O ATOM 1207 OE2 GLU A 78 39.102 20.344 6.222 1.00 0.00 O ATOM 0 H GLU A 78 44.282 18.986 4.277 1.00 0.00 H new ATOM 0 HA GLU A 78 42.090 17.605 3.184 1.00 0.00 H new ATOM 0 HB2 GLU A 78 42.371 18.480 5.535 1.00 0.00 H new ATOM 0 HB3 GLU A 78 42.092 20.097 4.921 1.00 0.00 H new ATOM 0 HG2 GLU A 78 39.857 19.362 4.076 1.00 0.00 H new ATOM 0 HG3 GLU A 78 40.138 17.777 4.769 1.00 0.00 H new ATOM 1214 N HIS A 79 41.076 19.000 1.407 1.00 0.00 N ATOM 1215 CA HIS A 79 40.582 19.762 0.266 1.00 0.00 C ATOM 1216 C HIS A 79 39.195 20.337 0.543 1.00 0.00 C ATOM 1217 O HIS A 79 38.279 20.218 -0.265 1.00 0.00 O ATOM 1218 CB HIS A 79 40.597 18.921 -1.029 1.00 0.00 C ATOM 1219 CG HIS A 79 39.949 17.567 -0.933 1.00 0.00 C ATOM 1220 ND1 HIS A 79 38.805 17.224 -1.625 1.00 0.00 N ATOM 1221 CD2 HIS A 79 40.312 16.458 -0.246 1.00 0.00 C ATOM 1222 CE1 HIS A 79 38.494 15.969 -1.365 1.00 0.00 C ATOM 1223 NE2 HIS A 79 39.392 15.482 -0.529 1.00 0.00 N ATOM 0 H HIS A 79 40.746 18.036 1.449 1.00 0.00 H new ATOM 0 HA HIS A 79 41.262 20.600 0.114 1.00 0.00 H new ATOM 0 HB2 HIS A 79 40.098 19.488 -1.815 1.00 0.00 H new ATOM 0 HB3 HIS A 79 41.633 18.787 -1.342 1.00 0.00 H new ATOM 0 HD1 HIS A 79 38.281 17.845 -2.242 1.00 0.00 H new ATOM 0 HD2 HIS A 79 41.168 16.360 0.405 1.00 0.00 H new ATOM 0 HE1 HIS A 79 37.648 15.431 -1.768 1.00 0.00 H new ATOM 1232 N HIS A 80 39.058 20.969 1.707 1.00 0.00 N ATOM 1233 CA HIS A 80 37.853 21.728 2.041 1.00 0.00 C ATOM 1234 C HIS A 80 38.076 23.207 1.764 1.00 0.00 C ATOM 1235 O HIS A 80 37.164 24.018 1.903 1.00 0.00 O ATOM 1236 CB HIS A 80 37.464 21.558 3.513 1.00 0.00 C ATOM 1237 CG HIS A 80 36.664 20.325 3.807 1.00 0.00 C ATOM 1238 ND1 HIS A 80 36.884 19.543 4.917 1.00 0.00 N ATOM 1239 CD2 HIS A 80 35.616 19.765 3.158 1.00 0.00 C ATOM 1240 CE1 HIS A 80 36.008 18.558 4.940 1.00 0.00 C ATOM 1241 NE2 HIS A 80 35.225 18.669 3.885 1.00 0.00 N ATOM 0 H HIS A 80 39.769 20.971 2.438 1.00 0.00 H new ATOM 0 HA HIS A 80 37.045 21.342 1.420 1.00 0.00 H new ATOM 0 HB2 HIS A 80 38.372 21.539 4.116 1.00 0.00 H new ATOM 0 HB3 HIS A 80 36.891 22.431 3.827 1.00 0.00 H new ATOM 0 HD1 HIS A 80 37.612 19.701 5.614 1.00 0.00 H new ATOM 0 HD2 HIS A 80 35.171 20.116 2.239 1.00 0.00 H new ATOM 0 HE1 HIS A 80 35.943 17.789 5.696 1.00 0.00 H new ATOM 1250 N HIS A 81 39.297 23.547 1.371 1.00 0.00 N ATOM 1251 CA HIS A 81 39.665 24.935 1.079 1.00 0.00 C ATOM 1252 C HIS A 81 39.167 25.338 -0.313 1.00 0.00 C ATOM 1253 O HIS A 81 39.870 26.019 -1.061 1.00 0.00 O ATOM 1254 CB HIS A 81 41.194 25.114 1.180 1.00 0.00 C ATOM 1255 CG HIS A 81 41.991 24.398 0.119 1.00 0.00 C ATOM 1256 ND1 HIS A 81 42.117 23.079 -0.162 1.00 0.00 N flip ATOM 1257 CD2 HIS A 81 42.780 25.056 -0.802 1.00 0.00 C flip ATOM 1258 CE1 HIS A 81 42.963 22.969 -1.234 1.00 0.00 C flip ATOM 1259 NE2 HIS A 81 43.349 24.176 -1.603 1.00 0.00 N flip ATOM 0 H HIS A 81 40.057 22.879 1.245 1.00 0.00 H new ATOM 0 HA HIS A 81 39.191 25.584 1.815 1.00 0.00 H new ATOM 0 HB2 HIS A 81 41.424 26.178 1.130 1.00 0.00 H new ATOM 0 HB3 HIS A 81 41.522 24.763 2.158 1.00 0.00 H new ATOM 0 HD2 HIS A 81 42.911 26.126 -0.858 1.00 0.00 H new ATOM 0 HE1 HIS A 81 43.265 22.044 -1.702 1.00 0.00 H new ATOM 0 HE2 HIS A 81 43.979 24.391 -2.375 1.00 0.00 H new ATOM 1268 N HIS A 82 37.930 24.944 -0.616 1.00 0.00 N ATOM 1269 CA HIS A 82 37.357 25.053 -1.960 1.00 0.00 C ATOM 1270 C HIS A 82 38.027 24.048 -2.888 1.00 0.00 C ATOM 1271 O HIS A 82 39.034 23.436 -2.521 1.00 0.00 O ATOM 1272 CB HIS A 82 37.473 26.476 -2.533 1.00 0.00 C ATOM 1273 CG HIS A 82 36.628 27.486 -1.821 1.00 0.00 C ATOM 1274 ND1 HIS A 82 35.512 28.063 -2.380 1.00 0.00 N ATOM 1275 CD2 HIS A 82 36.744 28.020 -0.585 1.00 0.00 C ATOM 1276 CE1 HIS A 82 34.978 28.907 -1.520 1.00 0.00 C ATOM 1277 NE2 HIS A 82 35.706 28.900 -0.419 1.00 0.00 N ATOM 0 H HIS A 82 37.292 24.537 0.068 1.00 0.00 H new ATOM 0 HA HIS A 82 36.293 24.829 -1.884 1.00 0.00 H new ATOM 0 HB2 HIS A 82 38.515 26.792 -2.488 1.00 0.00 H new ATOM 0 HB3 HIS A 82 37.191 26.458 -3.586 1.00 0.00 H new ATOM 0 HD2 HIS A 82 37.513 27.795 0.139 1.00 0.00 H new ATOM 0 HE1 HIS A 82 34.094 29.504 -1.688 1.00 0.00 H new ATOM 0 HE2 HIS A 82 35.526 29.457 0.416 1.00 0.00 H new ATOM 1286 N HIS A 83 37.467 23.884 -4.082 1.00 0.00 N ATOM 1287 CA HIS A 83 37.953 22.897 -5.046 1.00 0.00 C ATOM 1288 C HIS A 83 37.795 21.488 -4.479 1.00 0.00 C ATOM 1289 O HIS A 83 38.772 20.848 -4.080 1.00 0.00 O ATOM 1290 CB HIS A 83 39.417 23.153 -5.442 1.00 0.00 C ATOM 1291 CG HIS A 83 39.655 24.497 -6.061 1.00 0.00 C ATOM 1292 ND1 HIS A 83 39.733 24.700 -7.419 1.00 0.00 N ATOM 1293 CD2 HIS A 83 39.835 25.711 -5.492 1.00 0.00 C ATOM 1294 CE1 HIS A 83 39.952 25.978 -7.659 1.00 0.00 C ATOM 1295 NE2 HIS A 83 40.017 26.617 -6.507 1.00 0.00 N ATOM 0 H HIS A 83 36.668 24.427 -4.410 1.00 0.00 H new ATOM 0 HA HIS A 83 37.350 22.992 -5.949 1.00 0.00 H new ATOM 0 HB2 HIS A 83 40.045 23.056 -4.556 1.00 0.00 H new ATOM 0 HB3 HIS A 83 39.734 22.380 -6.143 1.00 0.00 H new ATOM 0 HD2 HIS A 83 39.835 25.928 -4.434 1.00 0.00 H new ATOM 0 HE1 HIS A 83 40.060 26.426 -8.636 1.00 0.00 H new ATOM 0 HE2 HIS A 83 40.176 27.618 -6.390 1.00 0.00 H new ATOM 1304 N HIS A 84 36.550 21.031 -4.419 1.00 0.00 N ATOM 1305 CA HIS A 84 36.232 19.704 -3.907 1.00 0.00 C ATOM 1306 C HIS A 84 36.980 18.629 -4.684 1.00 0.00 C ATOM 1307 O HIS A 84 37.677 17.810 -4.047 1.00 0.00 O ATOM 1308 CB HIS A 84 34.723 19.448 -3.980 1.00 0.00 C ATOM 1309 CG HIS A 84 34.320 18.099 -3.473 1.00 0.00 C ATOM 1310 ND1 HIS A 84 33.976 17.058 -4.304 1.00 0.00 N ATOM 1311 CD2 HIS A 84 34.204 17.622 -2.213 1.00 0.00 C ATOM 1312 CE1 HIS A 84 33.667 16.004 -3.580 1.00 0.00 C ATOM 1313 NE2 HIS A 84 33.799 16.317 -2.309 1.00 0.00 N ATOM 1314 OXT HIS A 84 36.867 18.613 -5.925 1.00 0.00 O ATOM 0 H HIS A 84 35.737 21.567 -4.722 1.00 0.00 H new ATOM 0 HA HIS A 84 36.548 19.661 -2.865 1.00 0.00 H new ATOM 0 HB2 HIS A 84 34.205 20.214 -3.403 1.00 0.00 H new ATOM 0 HB3 HIS A 84 34.395 19.551 -5.014 1.00 0.00 H new ATOM 0 HD2 HIS A 84 34.395 18.168 -1.301 1.00 0.00 H new ATOM 0 HE1 HIS A 84 33.357 15.043 -3.964 1.00 0.00 H new ATOM 0 HE2 HIS A 84 33.628 15.690 -1.523 1.00 0.00 H new TER 1323 HIS A 84