USER MOD reduce.3.24.130724 H: found=0, std=0, add=842, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 842 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 59 THR OG1 : rot -67:sc= 1.02 USER MOD Set 1.2: A 74 LYS NZ :NH3+ -139:sc= -0.0308 (180deg=-0.219) USER MOD Set 2.1: A 9 THR OG1 : rot -170:sc= 1.17 USER MOD Set 2.2: A 13 THR OG1 : rot 118:sc= 1.35 USER MOD Single : A 1 MET CE :methyl 173:sc= -0.724 (180deg=-1.01) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -165:sc= 1.31 (180deg=1.16) USER MOD Single : A -3 SER OG : rot 180:sc= 0 USER MOD Single : A -7 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN :FLIP amide:sc= -0.0536 F(o=-1.4!,f=-0.054) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.926 K(o=-0.93,f=-5.5!) USER MOD Single : A 24 ASN :FLIP amide:sc= -0.378 F(o=-1.2,f=-0.38) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 49:sc= 0.0367 USER MOD Single : A 32 SER OG : rot -91:sc= 0.913 USER MOD Single : A 33 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 37 CYS SG : rot -22:sc= 0.00637 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 39:sc= 0.00875 USER MOD Single : A 41 LYS NZ :NH3+ -145:sc= 0.0366 (180deg=0) USER MOD Single : A 43 SER OG : rot 12:sc= 0.547 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl -110:sc= -0.293 (180deg=-2.39!) USER MOD Single : A 49 CYS SG : rot 150:sc= -0.856 USER MOD Single : A 52 LYS NZ :NH3+ 142:sc= 0.84 (180deg=0.067!) USER MOD Single : A 54 HIS : no HD1:sc= -0.0889 X(o=-0.089,f=-0.22) USER MOD Single : A 55 SER OG : rot 180:sc= 0.0551 USER MOD Single : A 58 ASN : amide:sc= 0.436 K(o=0.44,f=-2.1!) USER MOD Single : A 61 MET CE :methyl 165:sc= -0.0403 (180deg=-0.513) USER MOD Single : A 69 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 70 HIS : no HD1:sc= -0.175 X(o=-0.17,f=-0.17) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 MET CE :methyl 174:sc= -1.71 (180deg=-1.83) USER MOD Single : A 77 ASN : amide:sc= -0.279 K(o=-0.28,f=-11!) USER MOD Single : A 82 GLN : amide:sc= 0.517 K(o=0.52,f=-0.022) USER MOD Single : A 90 SER OG : rot -95:sc= 0.0513 USER MOD Single : A 91 SER OG : rot 166:sc= 0.727 USER MOD Single : A 92 LYS NZ :NH3+ -167:sc= 0.505 (180deg=-0.327!) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 150:sc= 0.0665 USER MOD Single : A 98 THR OG1 : rot 19:sc= 0.654 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -7 -13.261 -1.142 8.839 1.00 0.00 N ATOM 2 CA GLY A -7 -13.246 -0.363 7.578 1.00 0.00 C ATOM 3 C GLY A -7 -13.705 1.064 7.780 1.00 0.00 C ATOM 4 O GLY A -7 -14.468 1.343 8.703 1.00 0.00 O ATOM 0 H1 GLY A -7 -12.939 -2.113 8.651 1.00 0.00 H new ATOM 0 H2 GLY A -7 -12.627 -0.695 9.531 1.00 0.00 H new ATOM 0 H3 GLY A -7 -14.228 -1.166 9.221 1.00 0.00 H new ATOM 0 HA2 GLY A -7 -12.237 -0.363 7.165 1.00 0.00 H new ATOM 0 HA3 GLY A -7 -13.890 -0.849 6.845 1.00 0.00 H new ATOM 10 N PRO A -6 -13.236 1.992 6.932 1.00 0.00 N ATOM 11 CA PRO A -6 -13.607 3.412 7.003 1.00 0.00 C ATOM 12 C PRO A -6 -15.103 3.650 6.775 1.00 0.00 C ATOM 13 O PRO A -6 -15.565 3.771 5.638 1.00 0.00 O ATOM 14 CB PRO A -6 -12.790 4.065 5.883 1.00 0.00 C ATOM 15 CG PRO A -6 -12.378 2.949 4.986 1.00 0.00 C ATOM 16 CD PRO A -6 -12.283 1.727 5.844 1.00 0.00 C ATOM 0 HA PRO A -6 -13.403 3.822 7.992 1.00 0.00 H new ATOM 0 HB2 PRO A -6 -13.384 4.803 5.344 1.00 0.00 H new ATOM 0 HB3 PRO A -6 -11.921 4.587 6.284 1.00 0.00 H new ATOM 0 HG2 PRO A -6 -13.105 2.806 4.186 1.00 0.00 H new ATOM 0 HG3 PRO A -6 -11.421 3.166 4.512 1.00 0.00 H new ATOM 0 HD2 PRO A -6 -12.548 0.827 5.290 1.00 0.00 H new ATOM 0 HD3 PRO A -6 -11.272 1.582 6.224 1.00 0.00 H new ATOM 24 N LEU A -5 -15.851 3.696 7.869 1.00 0.00 N ATOM 25 CA LEU A -5 -17.274 4.015 7.828 1.00 0.00 C ATOM 26 C LEU A -5 -17.540 5.256 8.658 1.00 0.00 C ATOM 27 O LEU A -5 -17.390 5.239 9.880 1.00 0.00 O ATOM 28 CB LEU A -5 -18.134 2.851 8.348 1.00 0.00 C ATOM 29 CG LEU A -5 -18.519 1.781 7.313 1.00 0.00 C ATOM 30 CD1 LEU A -5 -19.191 2.419 6.104 1.00 0.00 C ATOM 31 CD2 LEU A -5 -17.307 0.966 6.885 1.00 0.00 C ATOM 0 H LEU A -5 -15.492 3.514 8.806 1.00 0.00 H new ATOM 0 HA LEU A -5 -17.548 4.194 6.788 1.00 0.00 H new ATOM 0 HB2 LEU A -5 -17.597 2.364 9.162 1.00 0.00 H new ATOM 0 HB3 LEU A -5 -19.049 3.263 8.772 1.00 0.00 H new ATOM 0 HG LEU A -5 -19.229 1.102 7.784 1.00 0.00 H new ATOM 0 HD11 LEU A -5 -19.455 1.645 5.384 1.00 0.00 H new ATOM 0 HD12 LEU A -5 -20.093 2.941 6.423 1.00 0.00 H new ATOM 0 HD13 LEU A -5 -18.506 3.128 5.639 1.00 0.00 H new ATOM 0 HD21 LEU A -5 -17.612 0.218 6.153 1.00 0.00 H new ATOM 0 HD22 LEU A -5 -16.563 1.627 6.440 1.00 0.00 H new ATOM 0 HD23 LEU A -5 -16.877 0.469 7.755 1.00 0.00 H new ATOM 43 N GLY A -4 -17.901 6.339 7.990 1.00 0.00 N ATOM 44 CA GLY A -4 -18.159 7.584 8.682 1.00 0.00 C ATOM 45 C GLY A -4 -16.885 8.361 8.926 1.00 0.00 C ATOM 46 O GLY A -4 -16.744 9.502 8.482 1.00 0.00 O ATOM 0 H GLY A -4 -18.020 6.379 6.978 1.00 0.00 H new ATOM 0 HA2 GLY A -4 -18.849 8.191 8.095 1.00 0.00 H new ATOM 0 HA3 GLY A -4 -18.647 7.377 9.634 1.00 0.00 H new ATOM 50 N SER A -3 -15.959 7.733 9.632 1.00 0.00 N ATOM 51 CA SER A -3 -14.659 8.322 9.896 1.00 0.00 C ATOM 52 C SER A -3 -13.873 8.445 8.590 1.00 0.00 C ATOM 53 O SER A -3 -13.780 7.483 7.825 1.00 0.00 O ATOM 54 CB SER A -3 -13.893 7.464 10.913 1.00 0.00 C ATOM 55 OG SER A -3 -12.698 8.104 11.333 1.00 0.00 O ATOM 0 H SER A -3 -16.087 6.805 10.036 1.00 0.00 H new ATOM 0 HA SER A -3 -14.791 9.319 10.317 1.00 0.00 H new ATOM 0 HB2 SER A -3 -14.527 7.269 11.778 1.00 0.00 H new ATOM 0 HB3 SER A -3 -13.654 6.498 10.469 1.00 0.00 H new ATOM 0 HG SER A -3 -12.233 7.535 11.981 1.00 0.00 H new ATOM 61 N PRO A -2 -13.338 9.648 8.313 1.00 0.00 N ATOM 62 CA PRO A -2 -12.558 9.925 7.102 1.00 0.00 C ATOM 63 C PRO A -2 -11.476 8.881 6.841 1.00 0.00 C ATOM 64 O PRO A -2 -10.661 8.573 7.716 1.00 0.00 O ATOM 65 CB PRO A -2 -11.937 11.289 7.390 1.00 0.00 C ATOM 66 CG PRO A -2 -12.901 11.945 8.312 1.00 0.00 C ATOM 67 CD PRO A -2 -13.469 10.843 9.163 1.00 0.00 C ATOM 0 HA PRO A -2 -13.179 9.903 6.206 1.00 0.00 H new ATOM 0 HB2 PRO A -2 -10.953 11.189 7.849 1.00 0.00 H new ATOM 0 HB3 PRO A -2 -11.805 11.867 6.475 1.00 0.00 H new ATOM 0 HG2 PRO A -2 -12.405 12.697 8.926 1.00 0.00 H new ATOM 0 HG3 PRO A -2 -13.688 12.455 7.757 1.00 0.00 H new ATOM 0 HD2 PRO A -2 -12.918 10.733 10.097 1.00 0.00 H new ATOM 0 HD3 PRO A -2 -14.509 11.035 9.427 1.00 0.00 H new ATOM 75 N GLU A -1 -11.491 8.343 5.630 1.00 0.00 N ATOM 76 CA GLU A -1 -10.550 7.312 5.214 1.00 0.00 C ATOM 77 C GLU A -1 -9.157 7.901 4.999 1.00 0.00 C ATOM 78 O GLU A -1 -8.786 8.273 3.885 1.00 0.00 O ATOM 79 CB GLU A -1 -11.064 6.657 3.930 1.00 0.00 C ATOM 80 CG GLU A -1 -10.180 5.559 3.376 1.00 0.00 C ATOM 81 CD GLU A -1 -10.701 5.055 2.051 1.00 0.00 C ATOM 82 OE1 GLU A -1 -10.490 5.743 1.030 1.00 0.00 O ATOM 83 OE2 GLU A -1 -11.362 3.999 2.030 1.00 0.00 O ATOM 0 H GLU A -1 -12.158 8.610 4.906 1.00 0.00 H new ATOM 0 HA GLU A -1 -10.471 6.560 5.999 1.00 0.00 H new ATOM 0 HB2 GLU A -1 -12.054 6.244 4.121 1.00 0.00 H new ATOM 0 HB3 GLU A -1 -11.182 7.428 3.168 1.00 0.00 H new ATOM 0 HG2 GLU A -1 -9.164 5.934 3.251 1.00 0.00 H new ATOM 0 HG3 GLU A -1 -10.130 4.735 4.088 1.00 0.00 H new ATOM 90 N PHE A 0 -8.408 8.020 6.082 1.00 0.00 N ATOM 91 CA PHE A 0 -7.033 8.479 6.014 1.00 0.00 C ATOM 92 C PHE A 0 -6.122 7.481 6.716 1.00 0.00 C ATOM 93 O PHE A 0 -6.382 7.091 7.854 1.00 0.00 O ATOM 94 CB PHE A 0 -6.897 9.865 6.650 1.00 0.00 C ATOM 95 CG PHE A 0 -5.555 10.502 6.426 1.00 0.00 C ATOM 96 CD1 PHE A 0 -5.292 11.203 5.261 1.00 0.00 C ATOM 97 CD2 PHE A 0 -4.560 10.404 7.385 1.00 0.00 C ATOM 98 CE1 PHE A 0 -4.059 11.793 5.053 1.00 0.00 C ATOM 99 CE2 PHE A 0 -3.326 10.991 7.183 1.00 0.00 C ATOM 100 CZ PHE A 0 -3.075 11.687 6.016 1.00 0.00 C ATOM 0 H PHE A 0 -8.733 7.803 7.024 1.00 0.00 H new ATOM 0 HA PHE A 0 -6.738 8.554 4.967 1.00 0.00 H new ATOM 0 HB2 PHE A 0 -7.671 10.518 6.247 1.00 0.00 H new ATOM 0 HB3 PHE A 0 -7.076 9.782 7.722 1.00 0.00 H new ATOM 0 HD1 PHE A 0 -6.059 11.290 4.506 1.00 0.00 H new ATOM 0 HD2 PHE A 0 -4.751 9.863 8.300 1.00 0.00 H new ATOM 0 HE1 PHE A 0 -3.866 12.336 4.139 1.00 0.00 H new ATOM 0 HE2 PHE A 0 -2.558 10.906 7.937 1.00 0.00 H new ATOM 0 HZ PHE A 0 -2.111 12.147 5.857 1.00 0.00 H new ATOM 110 N MET A 1 -5.074 7.060 6.027 1.00 0.00 N ATOM 111 CA MET A 1 -4.107 6.125 6.587 1.00 0.00 C ATOM 112 C MET A 1 -2.694 6.526 6.182 1.00 0.00 C ATOM 113 O MET A 1 -2.463 6.903 5.032 1.00 0.00 O ATOM 114 CB MET A 1 -4.411 4.702 6.106 1.00 0.00 C ATOM 115 CG MET A 1 -3.383 3.671 6.545 1.00 0.00 C ATOM 116 SD MET A 1 -3.274 3.504 8.335 1.00 0.00 S ATOM 117 CE MET A 1 -1.869 2.403 8.466 1.00 0.00 C ATOM 0 H MET A 1 -4.869 7.353 5.072 1.00 0.00 H new ATOM 0 HA MET A 1 -4.181 6.152 7.674 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.391 4.405 6.478 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.470 4.702 5.018 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.637 2.704 6.110 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.406 3.950 6.151 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.588 2.295 9.514 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.132 1.427 8.058 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.030 2.816 7.906 1.00 0.00 H new ATOM 127 N GLU A 2 -1.756 6.443 7.115 1.00 0.00 N ATOM 128 CA GLU A 2 -0.383 6.840 6.848 1.00 0.00 C ATOM 129 C GLU A 2 0.598 5.830 7.441 1.00 0.00 C ATOM 130 O GLU A 2 0.229 5.015 8.284 1.00 0.00 O ATOM 131 CB GLU A 2 -0.108 8.247 7.406 1.00 0.00 C ATOM 132 CG GLU A 2 -0.014 8.330 8.930 1.00 0.00 C ATOM 133 CD GLU A 2 -1.331 8.057 9.635 1.00 0.00 C ATOM 134 OE1 GLU A 2 -2.114 9.009 9.830 1.00 0.00 O ATOM 135 OE2 GLU A 2 -1.578 6.895 10.016 1.00 0.00 O ATOM 0 H GLU A 2 -1.922 6.104 8.063 1.00 0.00 H new ATOM 0 HA GLU A 2 -0.240 6.863 5.768 1.00 0.00 H new ATOM 0 HB2 GLU A 2 0.825 8.615 6.979 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -0.899 8.916 7.069 1.00 0.00 H new ATOM 0 HG2 GLU A 2 0.731 7.615 9.279 1.00 0.00 H new ATOM 0 HG3 GLU A 2 0.340 9.322 9.211 1.00 0.00 H new ATOM 142 N GLY A 3 1.840 5.874 6.976 1.00 0.00 N ATOM 143 CA GLY A 3 2.866 4.991 7.497 1.00 0.00 C ATOM 144 C GLY A 3 3.827 4.551 6.412 1.00 0.00 C ATOM 145 O GLY A 3 3.730 5.011 5.272 1.00 0.00 O ATOM 0 H GLY A 3 2.156 6.509 6.243 1.00 0.00 H new ATOM 0 HA2 GLY A 3 3.417 5.500 8.288 1.00 0.00 H new ATOM 0 HA3 GLY A 3 2.399 4.115 7.947 1.00 0.00 H new ATOM 149 N VAL A 4 4.756 3.667 6.750 1.00 0.00 N ATOM 150 CA VAL A 4 5.716 3.181 5.769 1.00 0.00 C ATOM 151 C VAL A 4 5.517 1.689 5.534 1.00 0.00 C ATOM 152 O VAL A 4 4.943 0.988 6.374 1.00 0.00 O ATOM 153 CB VAL A 4 7.193 3.448 6.181 1.00 0.00 C ATOM 154 CG1 VAL A 4 7.312 4.706 7.029 1.00 0.00 C ATOM 155 CG2 VAL A 4 7.811 2.243 6.885 1.00 0.00 C ATOM 0 H VAL A 4 4.865 3.275 7.686 1.00 0.00 H new ATOM 0 HA VAL A 4 5.530 3.737 4.850 1.00 0.00 H new ATOM 0 HB VAL A 4 7.760 3.611 5.264 1.00 0.00 H new ATOM 0 HG11 VAL A 4 8.356 4.865 7.300 1.00 0.00 H new ATOM 0 HG12 VAL A 4 6.950 5.563 6.461 1.00 0.00 H new ATOM 0 HG13 VAL A 4 6.715 4.593 7.934 1.00 0.00 H new ATOM 0 HG21 VAL A 4 8.842 2.470 7.156 1.00 0.00 H new ATOM 0 HG22 VAL A 4 7.240 2.016 7.785 1.00 0.00 H new ATOM 0 HG23 VAL A 4 7.793 1.382 6.217 1.00 0.00 H new ATOM 165 N LEU A 5 5.983 1.215 4.392 1.00 0.00 N ATOM 166 CA LEU A 5 5.917 -0.199 4.056 1.00 0.00 C ATOM 167 C LEU A 5 7.280 -0.684 3.594 1.00 0.00 C ATOM 168 O LEU A 5 8.041 0.064 2.970 1.00 0.00 O ATOM 169 CB LEU A 5 4.892 -0.486 2.944 1.00 0.00 C ATOM 170 CG LEU A 5 3.408 -0.512 3.347 1.00 0.00 C ATOM 171 CD1 LEU A 5 3.166 -1.453 4.519 1.00 0.00 C ATOM 172 CD2 LEU A 5 2.908 0.884 3.663 1.00 0.00 C ATOM 0 H LEU A 5 6.416 1.795 3.673 1.00 0.00 H new ATOM 0 HA LEU A 5 5.603 -0.727 4.957 1.00 0.00 H new ATOM 0 HB2 LEU A 5 5.018 0.267 2.166 1.00 0.00 H new ATOM 0 HB3 LEU A 5 5.138 -1.450 2.498 1.00 0.00 H new ATOM 0 HG LEU A 5 2.842 -0.892 2.496 1.00 0.00 H new ATOM 0 HD11 LEU A 5 2.107 -1.447 4.778 1.00 0.00 H new ATOM 0 HD12 LEU A 5 3.466 -2.464 4.242 1.00 0.00 H new ATOM 0 HD13 LEU A 5 3.751 -1.123 5.377 1.00 0.00 H new ATOM 0 HD21 LEU A 5 1.856 0.839 3.945 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.487 1.300 4.487 1.00 0.00 H new ATOM 0 HD23 LEU A 5 3.021 1.519 2.784 1.00 0.00 H new ATOM 184 N TYR A 6 7.584 -1.926 3.929 1.00 0.00 N ATOM 185 CA TYR A 6 8.758 -2.606 3.417 1.00 0.00 C ATOM 186 C TYR A 6 8.653 -2.725 1.905 1.00 0.00 C ATOM 187 O TYR A 6 7.661 -3.234 1.375 1.00 0.00 O ATOM 188 CB TYR A 6 8.876 -3.982 4.095 1.00 0.00 C ATOM 189 CG TYR A 6 9.703 -5.033 3.370 1.00 0.00 C ATOM 190 CD1 TYR A 6 9.186 -5.736 2.286 1.00 0.00 C ATOM 191 CD2 TYR A 6 10.986 -5.350 3.796 1.00 0.00 C ATOM 192 CE1 TYR A 6 9.922 -6.715 1.649 1.00 0.00 C ATOM 193 CE2 TYR A 6 11.731 -6.327 3.160 1.00 0.00 C ATOM 194 CZ TYR A 6 11.195 -7.005 2.087 1.00 0.00 C ATOM 195 OH TYR A 6 11.930 -7.983 1.457 1.00 0.00 O ATOM 0 H TYR A 6 7.022 -2.491 4.565 1.00 0.00 H new ATOM 0 HA TYR A 6 9.661 -2.039 3.643 1.00 0.00 H new ATOM 0 HB2 TYR A 6 9.304 -3.837 5.087 1.00 0.00 H new ATOM 0 HB3 TYR A 6 7.871 -4.379 4.237 1.00 0.00 H new ATOM 0 HD1 TYR A 6 8.189 -5.511 1.936 1.00 0.00 H new ATOM 0 HD2 TYR A 6 11.410 -4.824 4.639 1.00 0.00 H new ATOM 0 HE1 TYR A 6 9.501 -7.251 0.811 1.00 0.00 H new ATOM 0 HE2 TYR A 6 12.729 -6.557 3.503 1.00 0.00 H new ATOM 0 HH TYR A 6 12.807 -8.062 1.888 1.00 0.00 H new ATOM 205 N LYS A 7 9.656 -2.218 1.220 1.00 0.00 N ATOM 206 CA LYS A 7 9.673 -2.244 -0.232 1.00 0.00 C ATOM 207 C LYS A 7 10.937 -2.912 -0.747 1.00 0.00 C ATOM 208 O LYS A 7 12.044 -2.433 -0.497 1.00 0.00 O ATOM 209 CB LYS A 7 9.574 -0.819 -0.786 1.00 0.00 C ATOM 210 CG LYS A 7 9.543 -0.750 -2.307 1.00 0.00 C ATOM 211 CD LYS A 7 8.271 -1.361 -2.874 1.00 0.00 C ATOM 212 CE LYS A 7 7.040 -0.574 -2.448 1.00 0.00 C ATOM 213 NZ LYS A 7 5.786 -1.182 -2.961 1.00 0.00 N ATOM 0 H LYS A 7 10.474 -1.781 1.645 1.00 0.00 H new ATOM 0 HA LYS A 7 8.814 -2.822 -0.572 1.00 0.00 H new ATOM 0 HB2 LYS A 7 8.673 -0.348 -0.392 1.00 0.00 H new ATOM 0 HB3 LYS A 7 10.422 -0.239 -0.423 1.00 0.00 H new ATOM 0 HG2 LYS A 7 9.620 0.290 -2.625 1.00 0.00 H new ATOM 0 HG3 LYS A 7 10.409 -1.273 -2.712 1.00 0.00 H new ATOM 0 HD2 LYS A 7 8.331 -1.385 -3.962 1.00 0.00 H new ATOM 0 HD3 LYS A 7 8.180 -2.393 -2.537 1.00 0.00 H new ATOM 0 HE2 LYS A 7 7.000 -0.524 -1.360 1.00 0.00 H new ATOM 0 HE3 LYS A 7 7.121 0.451 -2.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 5.007 -0.498 -2.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 5.909 -1.440 -3.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 5.562 -2.034 -2.409 1.00 0.00 H new ATOM 227 N TRP A 8 10.770 -4.022 -1.448 1.00 0.00 N ATOM 228 CA TRP A 8 11.887 -4.676 -2.106 1.00 0.00 C ATOM 229 C TRP A 8 12.259 -3.898 -3.361 1.00 0.00 C ATOM 230 O TRP A 8 11.403 -3.621 -4.206 1.00 0.00 O ATOM 231 CB TRP A 8 11.533 -6.125 -2.461 1.00 0.00 C ATOM 232 CG TRP A 8 12.651 -6.864 -3.138 1.00 0.00 C ATOM 233 CD1 TRP A 8 12.844 -7.014 -4.483 1.00 0.00 C ATOM 234 CD2 TRP A 8 13.735 -7.548 -2.500 1.00 0.00 C ATOM 235 NE1 TRP A 8 13.984 -7.744 -4.718 1.00 0.00 N ATOM 236 CE2 TRP A 8 14.545 -8.089 -3.517 1.00 0.00 C ATOM 237 CE3 TRP A 8 14.099 -7.760 -1.166 1.00 0.00 C ATOM 238 CZ2 TRP A 8 15.695 -8.823 -3.241 1.00 0.00 C ATOM 239 CZ3 TRP A 8 15.242 -8.490 -0.895 1.00 0.00 C ATOM 240 CH2 TRP A 8 16.027 -9.014 -1.929 1.00 0.00 C ATOM 0 H TRP A 8 9.872 -4.488 -1.575 1.00 0.00 H new ATOM 0 HA TRP A 8 12.739 -4.694 -1.427 1.00 0.00 H new ATOM 0 HB2 TRP A 8 11.255 -6.657 -1.551 1.00 0.00 H new ATOM 0 HB3 TRP A 8 10.659 -6.128 -3.112 1.00 0.00 H new ATOM 0 HD1 TRP A 8 12.195 -6.617 -5.249 1.00 0.00 H new ATOM 0 HE1 TRP A 8 14.352 -7.989 -5.637 1.00 0.00 H new ATOM 0 HE3 TRP A 8 13.498 -7.361 -0.362 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 16.304 -9.228 -4.036 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 15.534 -8.659 0.131 1.00 0.00 H new ATOM 0 HH2 TRP A 8 16.913 -9.581 -1.685 1.00 0.00 H new ATOM 251 N THR A 9 13.522 -3.521 -3.464 1.00 0.00 N ATOM 252 CA THR A 9 14.001 -2.786 -4.618 1.00 0.00 C ATOM 253 C THR A 9 14.915 -3.664 -5.470 1.00 0.00 C ATOM 254 O THR A 9 14.502 -4.186 -6.506 1.00 0.00 O ATOM 255 CB THR A 9 14.736 -1.502 -4.187 1.00 0.00 C ATOM 256 OG1 THR A 9 15.566 -1.769 -3.043 1.00 0.00 O ATOM 257 CG2 THR A 9 13.742 -0.400 -3.851 1.00 0.00 C ATOM 0 H THR A 9 14.234 -3.713 -2.760 1.00 0.00 H new ATOM 0 HA THR A 9 13.138 -2.498 -5.218 1.00 0.00 H new ATOM 0 HB THR A 9 15.360 -1.170 -5.017 1.00 0.00 H new ATOM 0 HG1 THR A 9 15.904 -0.924 -2.680 1.00 0.00 H new ATOM 0 HG21 THR A 9 14.282 0.497 -3.549 1.00 0.00 H new ATOM 0 HG22 THR A 9 13.133 -0.179 -4.728 1.00 0.00 H new ATOM 0 HG23 THR A 9 13.098 -0.727 -3.035 1.00 0.00 H new ATOM 265 N ASN A 10 16.149 -3.834 -5.019 1.00 0.00 N ATOM 266 CA ASN A 10 17.093 -4.741 -5.659 1.00 0.00 C ATOM 267 C ASN A 10 17.736 -5.603 -4.591 1.00 0.00 C ATOM 268 O ASN A 10 17.744 -5.229 -3.423 1.00 0.00 O ATOM 269 CB ASN A 10 18.189 -3.983 -6.420 1.00 0.00 C ATOM 270 CG ASN A 10 17.710 -3.317 -7.699 1.00 0.00 C ATOM 271 OD1 ASN A 10 16.691 -3.877 -8.337 1.00 0.00 O flip ATOM 272 ND2 ASN A 10 18.256 -2.296 -8.109 1.00 0.00 N flip ATOM 0 H ASN A 10 16.524 -3.350 -4.203 1.00 0.00 H new ATOM 0 HA ASN A 10 16.547 -5.350 -6.380 1.00 0.00 H new ATOM 0 HB2 ASN A 10 18.612 -3.223 -5.764 1.00 0.00 H new ATOM 0 HB3 ASN A 10 18.993 -4.677 -6.664 1.00 0.00 H new ATOM 0 HD21 ASN A 10 19.038 -1.893 -7.592 1.00 0.00 H new ATOM 0 HD22 ASN A 10 17.928 -1.851 -8.966 1.00 0.00 H new ATOM 279 N TYR A 11 18.287 -6.745 -4.979 1.00 0.00 N ATOM 280 CA TYR A 11 18.934 -7.633 -4.017 1.00 0.00 C ATOM 281 C TYR A 11 20.193 -6.990 -3.435 1.00 0.00 C ATOM 282 O TYR A 11 20.649 -7.362 -2.357 1.00 0.00 O ATOM 283 CB TYR A 11 19.258 -8.993 -4.653 1.00 0.00 C ATOM 284 CG TYR A 11 20.074 -8.923 -5.928 1.00 0.00 C ATOM 285 CD1 TYR A 11 19.454 -8.785 -7.165 1.00 0.00 C ATOM 286 CD2 TYR A 11 21.458 -9.009 -5.898 1.00 0.00 C ATOM 287 CE1 TYR A 11 20.190 -8.731 -8.330 1.00 0.00 C ATOM 288 CE2 TYR A 11 22.201 -8.955 -7.059 1.00 0.00 C ATOM 289 CZ TYR A 11 21.564 -8.817 -8.273 1.00 0.00 C ATOM 290 OH TYR A 11 22.302 -8.763 -9.434 1.00 0.00 O ATOM 0 H TYR A 11 18.301 -7.078 -5.943 1.00 0.00 H new ATOM 0 HA TYR A 11 18.235 -7.802 -3.198 1.00 0.00 H new ATOM 0 HB2 TYR A 11 19.799 -9.598 -3.926 1.00 0.00 H new ATOM 0 HB3 TYR A 11 18.322 -9.510 -4.866 1.00 0.00 H new ATOM 0 HD1 TYR A 11 18.377 -8.719 -7.214 1.00 0.00 H new ATOM 0 HD2 TYR A 11 21.963 -9.120 -4.950 1.00 0.00 H new ATOM 0 HE1 TYR A 11 19.692 -8.622 -9.282 1.00 0.00 H new ATOM 0 HE2 TYR A 11 23.278 -9.021 -7.017 1.00 0.00 H new ATOM 0 HH TYR A 11 23.255 -8.836 -9.219 1.00 0.00 H new ATOM 300 N LEU A 12 20.742 -6.019 -4.156 1.00 0.00 N ATOM 301 CA LEU A 12 21.917 -5.286 -3.694 1.00 0.00 C ATOM 302 C LEU A 12 21.552 -4.329 -2.561 1.00 0.00 C ATOM 303 O LEU A 12 22.282 -4.212 -1.577 1.00 0.00 O ATOM 304 CB LEU A 12 22.543 -4.507 -4.854 1.00 0.00 C ATOM 305 CG LEU A 12 23.058 -5.368 -6.011 1.00 0.00 C ATOM 306 CD1 LEU A 12 23.500 -4.493 -7.174 1.00 0.00 C ATOM 307 CD2 LEU A 12 24.204 -6.254 -5.544 1.00 0.00 C ATOM 0 H LEU A 12 20.391 -5.720 -5.066 1.00 0.00 H new ATOM 0 HA LEU A 12 22.641 -6.008 -3.315 1.00 0.00 H new ATOM 0 HB2 LEU A 12 21.803 -3.808 -5.243 1.00 0.00 H new ATOM 0 HB3 LEU A 12 23.371 -3.912 -4.467 1.00 0.00 H new ATOM 0 HG LEU A 12 22.244 -6.007 -6.354 1.00 0.00 H new ATOM 0 HD11 LEU A 12 23.863 -5.123 -7.986 1.00 0.00 H new ATOM 0 HD12 LEU A 12 22.655 -3.900 -7.524 1.00 0.00 H new ATOM 0 HD13 LEU A 12 24.299 -3.828 -6.846 1.00 0.00 H new ATOM 0 HD21 LEU A 12 24.559 -6.860 -6.378 1.00 0.00 H new ATOM 0 HD22 LEU A 12 25.019 -5.631 -5.176 1.00 0.00 H new ATOM 0 HD23 LEU A 12 23.856 -6.907 -4.744 1.00 0.00 H new ATOM 319 N THR A 13 20.413 -3.662 -2.703 1.00 0.00 N ATOM 320 CA THR A 13 19.966 -2.678 -1.727 1.00 0.00 C ATOM 321 C THR A 13 19.125 -3.320 -0.629 1.00 0.00 C ATOM 322 O THR A 13 19.091 -2.840 0.503 1.00 0.00 O ATOM 323 CB THR A 13 19.152 -1.573 -2.421 1.00 0.00 C ATOM 324 OG1 THR A 13 18.224 -2.165 -3.345 1.00 0.00 O ATOM 325 CG2 THR A 13 20.070 -0.614 -3.161 1.00 0.00 C ATOM 0 H THR A 13 19.778 -3.787 -3.492 1.00 0.00 H new ATOM 0 HA THR A 13 20.854 -2.244 -1.267 1.00 0.00 H new ATOM 0 HB THR A 13 18.606 -1.014 -1.661 1.00 0.00 H new ATOM 0 HG1 THR A 13 17.308 -1.950 -3.071 1.00 0.00 H new ATOM 0 HG21 THR A 13 19.474 0.160 -3.645 1.00 0.00 H new ATOM 0 HG22 THR A 13 20.760 -0.152 -2.454 1.00 0.00 H new ATOM 0 HG23 THR A 13 20.636 -1.161 -3.915 1.00 0.00 H new ATOM 333 N GLY A 14 18.445 -4.403 -0.978 1.00 0.00 N ATOM 334 CA GLY A 14 17.605 -5.095 -0.027 1.00 0.00 C ATOM 335 C GLY A 14 16.220 -4.496 0.026 1.00 0.00 C ATOM 336 O GLY A 14 15.449 -4.600 -0.930 1.00 0.00 O ATOM 0 H GLY A 14 18.462 -4.816 -1.911 1.00 0.00 H new ATOM 0 HA2 GLY A 14 17.537 -6.148 -0.299 1.00 0.00 H new ATOM 0 HA3 GLY A 14 18.060 -5.050 0.962 1.00 0.00 H new ATOM 340 N TRP A 15 15.920 -3.826 1.122 1.00 0.00 N ATOM 341 CA TRP A 15 14.603 -3.262 1.322 1.00 0.00 C ATOM 342 C TRP A 15 14.713 -1.772 1.604 1.00 0.00 C ATOM 343 O TRP A 15 15.720 -1.306 2.138 1.00 0.00 O ATOM 344 CB TRP A 15 13.900 -3.972 2.483 1.00 0.00 C ATOM 345 CG TRP A 15 14.202 -3.385 3.830 1.00 0.00 C ATOM 346 CD1 TRP A 15 15.370 -3.473 4.537 1.00 0.00 C ATOM 347 CD2 TRP A 15 13.303 -2.619 4.634 1.00 0.00 C ATOM 348 NE1 TRP A 15 15.252 -2.785 5.722 1.00 0.00 N ATOM 349 CE2 TRP A 15 13.992 -2.254 5.804 1.00 0.00 C ATOM 350 CE3 TRP A 15 11.983 -2.195 4.467 1.00 0.00 C ATOM 351 CZ2 TRP A 15 13.396 -1.492 6.807 1.00 0.00 C ATOM 352 CZ3 TRP A 15 11.393 -1.442 5.458 1.00 0.00 C ATOM 353 CH2 TRP A 15 12.100 -1.092 6.614 1.00 0.00 C ATOM 0 H TRP A 15 16.573 -3.660 1.888 1.00 0.00 H new ATOM 0 HA TRP A 15 14.014 -3.404 0.416 1.00 0.00 H new ATOM 0 HB2 TRP A 15 12.823 -3.939 2.317 1.00 0.00 H new ATOM 0 HB3 TRP A 15 14.191 -5.023 2.482 1.00 0.00 H new ATOM 0 HD1 TRP A 15 16.253 -4.004 4.213 1.00 0.00 H new ATOM 0 HE1 TRP A 15 15.984 -2.686 6.426 1.00 0.00 H new ATOM 0 HE3 TRP A 15 11.433 -2.454 3.574 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 13.936 -1.226 7.704 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 10.370 -1.117 5.341 1.00 0.00 H new ATOM 0 HH2 TRP A 15 11.613 -0.494 7.370 1.00 0.00 H new ATOM 364 N GLN A 16 13.693 -1.029 1.224 1.00 0.00 N ATOM 365 CA GLN A 16 13.625 0.386 1.545 1.00 0.00 C ATOM 366 C GLN A 16 12.257 0.715 2.128 1.00 0.00 C ATOM 367 O GLN A 16 11.233 0.456 1.496 1.00 0.00 O ATOM 368 CB GLN A 16 13.880 1.231 0.289 1.00 0.00 C ATOM 369 CG GLN A 16 15.258 1.022 -0.329 1.00 0.00 C ATOM 370 CD GLN A 16 16.386 1.600 0.509 1.00 0.00 C ATOM 371 OE1 GLN A 16 16.289 1.698 1.732 1.00 0.00 O ATOM 372 NE2 GLN A 16 17.475 1.977 -0.145 1.00 0.00 N ATOM 0 H GLN A 16 12.897 -1.381 0.691 1.00 0.00 H new ATOM 0 HA GLN A 16 14.394 0.619 2.282 1.00 0.00 H new ATOM 0 HB2 GLN A 16 13.120 0.995 -0.456 1.00 0.00 H new ATOM 0 HB3 GLN A 16 13.763 2.285 0.542 1.00 0.00 H new ATOM 0 HG2 GLN A 16 15.428 -0.046 -0.468 1.00 0.00 H new ATOM 0 HG3 GLN A 16 15.278 1.479 -1.318 1.00 0.00 H new ATOM 0 HE21 GLN A 16 17.520 1.881 -1.159 1.00 0.00 H new ATOM 0 HE22 GLN A 16 18.269 2.363 0.366 1.00 0.00 H new ATOM 381 N PRO A 17 12.216 1.254 3.356 1.00 0.00 N ATOM 382 CA PRO A 17 10.972 1.733 3.960 1.00 0.00 C ATOM 383 C PRO A 17 10.430 2.958 3.229 1.00 0.00 C ATOM 384 O PRO A 17 10.970 4.058 3.356 1.00 0.00 O ATOM 385 CB PRO A 17 11.385 2.101 5.388 1.00 0.00 C ATOM 386 CG PRO A 17 12.848 2.364 5.300 1.00 0.00 C ATOM 387 CD PRO A 17 13.364 1.403 4.271 1.00 0.00 C ATOM 0 HA PRO A 17 10.177 0.989 3.918 1.00 0.00 H new ATOM 0 HB2 PRO A 17 10.845 2.979 5.743 1.00 0.00 H new ATOM 0 HB3 PRO A 17 11.169 1.291 6.084 1.00 0.00 H new ATOM 0 HG2 PRO A 17 13.045 3.396 5.008 1.00 0.00 H new ATOM 0 HG3 PRO A 17 13.334 2.207 6.263 1.00 0.00 H new ATOM 0 HD2 PRO A 17 14.242 1.794 3.757 1.00 0.00 H new ATOM 0 HD3 PRO A 17 13.653 0.451 4.716 1.00 0.00 H new ATOM 395 N ARG A 18 9.372 2.770 2.460 1.00 0.00 N ATOM 396 CA ARG A 18 8.800 3.863 1.689 1.00 0.00 C ATOM 397 C ARG A 18 7.490 4.303 2.325 1.00 0.00 C ATOM 398 O ARG A 18 6.803 3.499 2.953 1.00 0.00 O ATOM 399 CB ARG A 18 8.580 3.447 0.230 1.00 0.00 C ATOM 400 CG ARG A 18 8.281 4.613 -0.708 1.00 0.00 C ATOM 401 CD ARG A 18 9.545 5.341 -1.167 1.00 0.00 C ATOM 402 NE ARG A 18 10.356 5.863 -0.064 1.00 0.00 N ATOM 403 CZ ARG A 18 11.465 6.583 -0.244 1.00 0.00 C ATOM 404 NH1 ARG A 18 11.900 6.836 -1.473 1.00 0.00 N ATOM 405 NH2 ARG A 18 12.146 7.039 0.800 1.00 0.00 N ATOM 0 H ARG A 18 8.893 1.876 2.352 1.00 0.00 H new ATOM 0 HA ARG A 18 9.498 4.700 1.693 1.00 0.00 H new ATOM 0 HB2 ARG A 18 9.468 2.925 -0.127 1.00 0.00 H new ATOM 0 HB3 ARG A 18 7.754 2.737 0.186 1.00 0.00 H new ATOM 0 HG2 ARG A 18 7.743 4.243 -1.581 1.00 0.00 H new ATOM 0 HG3 ARG A 18 7.622 5.320 -0.203 1.00 0.00 H new ATOM 0 HD2 ARG A 18 10.152 4.658 -1.761 1.00 0.00 H new ATOM 0 HD3 ARG A 18 9.262 6.166 -1.820 1.00 0.00 H new ATOM 0 HE ARG A 18 10.057 5.666 0.891 1.00 0.00 H new ATOM 0 HH11 ARG A 18 11.386 6.480 -2.279 1.00 0.00 H new ATOM 0 HH12 ARG A 18 12.748 7.386 -1.611 1.00 0.00 H new ATOM 0 HH21 ARG A 18 11.822 6.840 1.747 1.00 0.00 H new ATOM 0 HH22 ARG A 18 12.993 7.589 0.656 1.00 0.00 H new ATOM 419 N TRP A 19 7.146 5.568 2.157 1.00 0.00 N ATOM 420 CA TRP A 19 5.982 6.136 2.816 1.00 0.00 C ATOM 421 C TRP A 19 4.773 6.086 1.892 1.00 0.00 C ATOM 422 O TRP A 19 4.862 6.434 0.714 1.00 0.00 O ATOM 423 CB TRP A 19 6.271 7.581 3.242 1.00 0.00 C ATOM 424 CG TRP A 19 5.193 8.192 4.089 1.00 0.00 C ATOM 425 CD1 TRP A 19 4.062 8.815 3.649 1.00 0.00 C ATOM 426 CD2 TRP A 19 5.151 8.244 5.519 1.00 0.00 C ATOM 427 NE1 TRP A 19 3.315 9.247 4.719 1.00 0.00 N ATOM 428 CE2 TRP A 19 3.961 8.906 5.879 1.00 0.00 C ATOM 429 CE3 TRP A 19 6.000 7.789 6.533 1.00 0.00 C ATOM 430 CZ2 TRP A 19 3.604 9.127 7.207 1.00 0.00 C ATOM 431 CZ3 TRP A 19 5.643 8.008 7.850 1.00 0.00 C ATOM 432 CH2 TRP A 19 4.454 8.670 8.177 1.00 0.00 C ATOM 0 H TRP A 19 7.658 6.224 1.567 1.00 0.00 H new ATOM 0 HA TRP A 19 5.760 5.547 3.706 1.00 0.00 H new ATOM 0 HB2 TRP A 19 7.211 7.606 3.794 1.00 0.00 H new ATOM 0 HB3 TRP A 19 6.409 8.192 2.350 1.00 0.00 H new ATOM 0 HD1 TRP A 19 3.793 8.949 2.612 1.00 0.00 H new ATOM 0 HE1 TRP A 19 2.425 9.741 4.660 1.00 0.00 H new ATOM 0 HE3 TRP A 19 6.919 7.275 6.291 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 2.689 9.641 7.462 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 6.293 7.662 8.640 1.00 0.00 H new ATOM 0 HH2 TRP A 19 4.202 8.823 9.216 1.00 0.00 H new ATOM 443 N PHE A 20 3.652 5.640 2.431 1.00 0.00 N ATOM 444 CA PHE A 20 2.418 5.548 1.673 1.00 0.00 C ATOM 445 C PHE A 20 1.269 6.148 2.473 1.00 0.00 C ATOM 446 O PHE A 20 1.282 6.118 3.704 1.00 0.00 O ATOM 447 CB PHE A 20 2.097 4.088 1.338 1.00 0.00 C ATOM 448 CG PHE A 20 3.128 3.402 0.481 1.00 0.00 C ATOM 449 CD1 PHE A 20 4.210 2.756 1.053 1.00 0.00 C ATOM 450 CD2 PHE A 20 3.004 3.394 -0.898 1.00 0.00 C ATOM 451 CE1 PHE A 20 5.149 2.116 0.267 1.00 0.00 C ATOM 452 CE2 PHE A 20 3.938 2.754 -1.690 1.00 0.00 C ATOM 453 CZ PHE A 20 5.013 2.115 -1.106 1.00 0.00 C ATOM 0 H PHE A 20 3.572 5.333 3.400 1.00 0.00 H new ATOM 0 HA PHE A 20 2.545 6.104 0.744 1.00 0.00 H new ATOM 0 HB2 PHE A 20 1.987 3.531 2.268 1.00 0.00 H new ATOM 0 HB3 PHE A 20 1.135 4.049 0.828 1.00 0.00 H new ATOM 0 HD1 PHE A 20 4.322 2.752 2.127 1.00 0.00 H new ATOM 0 HD2 PHE A 20 2.166 3.895 -1.361 1.00 0.00 H new ATOM 0 HE1 PHE A 20 5.989 1.617 0.727 1.00 0.00 H new ATOM 0 HE2 PHE A 20 3.827 2.754 -2.764 1.00 0.00 H new ATOM 0 HZ PHE A 20 5.746 1.615 -1.722 1.00 0.00 H new ATOM 463 N VAL A 21 0.292 6.708 1.777 1.00 0.00 N ATOM 464 CA VAL A 21 -0.917 7.209 2.419 1.00 0.00 C ATOM 465 C VAL A 21 -2.147 6.734 1.657 1.00 0.00 C ATOM 466 O VAL A 21 -2.162 6.751 0.427 1.00 0.00 O ATOM 467 CB VAL A 21 -0.945 8.760 2.531 1.00 0.00 C ATOM 468 CG1 VAL A 21 0.261 9.274 3.300 1.00 0.00 C ATOM 469 CG2 VAL A 21 -1.037 9.430 1.162 1.00 0.00 C ATOM 0 H VAL A 21 0.311 6.828 0.764 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.921 6.810 3.433 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.845 9.024 3.086 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.216 10.361 3.363 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.259 8.852 4.305 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.175 8.978 2.784 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.054 10.513 1.287 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.173 9.148 0.560 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.950 9.109 0.660 1.00 0.00 H new ATOM 479 N LEU A 22 -3.156 6.270 2.378 1.00 0.00 N ATOM 480 CA LEU A 22 -4.416 5.910 1.753 1.00 0.00 C ATOM 481 C LEU A 22 -5.410 7.011 2.054 1.00 0.00 C ATOM 482 O LEU A 22 -5.707 7.285 3.217 1.00 0.00 O ATOM 483 CB LEU A 22 -4.938 4.557 2.282 1.00 0.00 C ATOM 484 CG LEU A 22 -6.054 3.876 1.456 1.00 0.00 C ATOM 485 CD1 LEU A 22 -7.330 4.696 1.443 1.00 0.00 C ATOM 486 CD2 LEU A 22 -5.586 3.609 0.034 1.00 0.00 C ATOM 0 H LEU A 22 -3.127 6.135 3.389 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.275 5.801 0.678 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.095 3.869 2.349 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -5.308 4.707 3.296 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.276 2.925 1.940 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -8.087 4.181 0.852 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.691 4.823 2.464 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -7.130 5.674 1.004 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -6.387 3.130 -0.529 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.320 4.552 -0.445 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.715 2.954 0.055 1.00 0.00 H new ATOM 498 N ASP A 23 -5.896 7.647 1.010 1.00 0.00 N ATOM 499 CA ASP A 23 -6.880 8.702 1.165 1.00 0.00 C ATOM 500 C ASP A 23 -7.811 8.754 -0.047 1.00 0.00 C ATOM 501 O ASP A 23 -7.356 8.695 -1.187 1.00 0.00 O ATOM 502 CB ASP A 23 -6.183 10.055 1.397 1.00 0.00 C ATOM 503 CG ASP A 23 -5.727 10.750 0.127 1.00 0.00 C ATOM 504 OD1 ASP A 23 -4.672 10.373 -0.427 1.00 0.00 O ATOM 505 OD2 ASP A 23 -6.400 11.714 -0.291 1.00 0.00 O ATOM 0 H ASP A 23 -5.628 7.454 0.045 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.491 8.485 2.041 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -6.866 10.715 1.933 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.318 9.899 2.042 1.00 0.00 H new ATOM 510 N ASN A 24 -9.119 8.806 0.213 1.00 0.00 N ATOM 511 CA ASN A 24 -10.126 8.979 -0.847 1.00 0.00 C ATOM 512 C ASN A 24 -10.060 7.840 -1.875 1.00 0.00 C ATOM 513 O ASN A 24 -10.231 8.054 -3.080 1.00 0.00 O ATOM 514 CB ASN A 24 -9.926 10.340 -1.542 1.00 0.00 C ATOM 515 CG ASN A 24 -11.052 10.720 -2.487 1.00 0.00 C ATOM 516 OD1 ASN A 24 -12.276 10.396 -2.121 1.00 0.00 O flip ATOM 517 ND2 ASN A 24 -10.821 11.328 -3.532 1.00 0.00 N flip ATOM 0 H ASN A 24 -9.511 8.731 1.152 1.00 0.00 H new ATOM 0 HA ASN A 24 -11.113 8.951 -0.386 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -9.827 11.114 -0.781 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -8.989 10.318 -2.099 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -9.861 11.563 -3.784 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -11.590 11.597 -4.146 1.00 0.00 H new ATOM 524 N GLY A 25 -9.826 6.625 -1.396 1.00 0.00 N ATOM 525 CA GLY A 25 -9.714 5.477 -2.283 1.00 0.00 C ATOM 526 C GLY A 25 -8.431 5.484 -3.094 1.00 0.00 C ATOM 527 O GLY A 25 -8.281 4.709 -4.042 1.00 0.00 O ATOM 0 H GLY A 25 -9.711 6.411 -0.405 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -9.761 4.562 -1.693 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -10.567 5.463 -2.961 1.00 0.00 H new ATOM 531 N ILE A 26 -7.512 6.366 -2.741 1.00 0.00 N ATOM 532 CA ILE A 26 -6.250 6.473 -3.447 1.00 0.00 C ATOM 533 C ILE A 26 -5.091 6.124 -2.525 1.00 0.00 C ATOM 534 O ILE A 26 -5.012 6.606 -1.397 1.00 0.00 O ATOM 535 CB ILE A 26 -6.034 7.895 -4.011 1.00 0.00 C ATOM 536 CG1 ILE A 26 -7.228 8.330 -4.872 1.00 0.00 C ATOM 537 CG2 ILE A 26 -4.751 7.947 -4.821 1.00 0.00 C ATOM 538 CD1 ILE A 26 -7.564 7.359 -5.984 1.00 0.00 C ATOM 0 H ILE A 26 -7.618 7.020 -1.966 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.286 5.768 -4.278 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.951 8.587 -3.173 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.101 8.451 -4.231 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -7.014 9.306 -5.307 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -4.609 8.954 -5.214 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -3.907 7.684 -4.183 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -4.814 7.241 -5.649 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -8.418 7.734 -6.549 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -6.706 7.256 -6.649 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -7.810 6.387 -5.556 1.00 0.00 H new ATOM 550 N LEU A 27 -4.198 5.279 -3.006 1.00 0.00 N ATOM 551 CA LEU A 27 -3.014 4.918 -2.256 1.00 0.00 C ATOM 552 C LEU A 27 -1.823 5.644 -2.867 1.00 0.00 C ATOM 553 O LEU A 27 -1.406 5.340 -3.976 1.00 0.00 O ATOM 554 CB LEU A 27 -2.825 3.387 -2.275 1.00 0.00 C ATOM 555 CG LEU A 27 -1.855 2.811 -1.232 1.00 0.00 C ATOM 556 CD1 LEU A 27 -0.407 2.983 -1.661 1.00 0.00 C ATOM 557 CD2 LEU A 27 -2.090 3.463 0.124 1.00 0.00 C ATOM 0 H LEU A 27 -4.273 4.829 -3.918 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.111 5.216 -1.212 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.799 2.920 -2.132 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.475 3.097 -3.266 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.050 1.742 -1.150 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.250 2.564 -0.899 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.244 2.465 -2.606 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.188 4.043 -1.786 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.396 3.046 0.854 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.929 4.538 0.044 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -3.114 3.273 0.447 1.00 0.00 H new ATOM 569 N SER A 28 -1.277 6.599 -2.145 1.00 0.00 N ATOM 570 CA SER A 28 -0.250 7.462 -2.695 1.00 0.00 C ATOM 571 C SER A 28 1.116 7.107 -2.126 1.00 0.00 C ATOM 572 O SER A 28 1.252 6.858 -0.929 1.00 0.00 O ATOM 573 CB SER A 28 -0.596 8.918 -2.391 1.00 0.00 C ATOM 574 OG SER A 28 -1.924 9.214 -2.791 1.00 0.00 O ATOM 0 H SER A 28 -1.526 6.799 -1.176 1.00 0.00 H new ATOM 0 HA SER A 28 -0.208 7.320 -3.775 1.00 0.00 H new ATOM 0 HB2 SER A 28 -0.482 9.108 -1.324 1.00 0.00 H new ATOM 0 HB3 SER A 28 0.100 9.578 -2.909 1.00 0.00 H new ATOM 0 HG SER A 28 -2.126 10.151 -2.586 1.00 0.00 H new ATOM 580 N TYR A 29 2.118 7.071 -2.993 1.00 0.00 N ATOM 581 CA TYR A 29 3.467 6.722 -2.586 1.00 0.00 C ATOM 582 C TYR A 29 4.352 7.956 -2.568 1.00 0.00 C ATOM 583 O TYR A 29 4.303 8.775 -3.485 1.00 0.00 O ATOM 584 CB TYR A 29 4.057 5.656 -3.520 1.00 0.00 C ATOM 585 CG TYR A 29 4.170 6.072 -4.979 1.00 0.00 C ATOM 586 CD1 TYR A 29 3.075 5.993 -5.838 1.00 0.00 C ATOM 587 CD2 TYR A 29 5.376 6.533 -5.497 1.00 0.00 C ATOM 588 CE1 TYR A 29 3.184 6.361 -7.169 1.00 0.00 C ATOM 589 CE2 TYR A 29 5.490 6.905 -6.824 1.00 0.00 C ATOM 590 CZ TYR A 29 4.394 6.816 -7.657 1.00 0.00 C ATOM 591 OH TYR A 29 4.510 7.179 -8.983 1.00 0.00 O ATOM 0 H TYR A 29 2.019 7.281 -3.986 1.00 0.00 H new ATOM 0 HA TYR A 29 3.424 6.310 -1.578 1.00 0.00 H new ATOM 0 HB2 TYR A 29 5.048 5.385 -3.157 1.00 0.00 H new ATOM 0 HB3 TYR A 29 3.440 4.760 -3.460 1.00 0.00 H new ATOM 0 HD1 TYR A 29 2.127 5.639 -5.460 1.00 0.00 H new ATOM 0 HD2 TYR A 29 6.239 6.602 -4.851 1.00 0.00 H new ATOM 0 HE1 TYR A 29 2.327 6.293 -7.823 1.00 0.00 H new ATOM 0 HE2 TYR A 29 6.434 7.264 -7.207 1.00 0.00 H new ATOM 0 HH TYR A 29 5.426 7.477 -9.162 1.00 0.00 H new ATOM 601 N TYR A 30 5.143 8.089 -1.515 1.00 0.00 N ATOM 602 CA TYR A 30 6.053 9.218 -1.375 1.00 0.00 C ATOM 603 C TYR A 30 7.346 8.787 -0.693 1.00 0.00 C ATOM 604 O TYR A 30 7.454 7.663 -0.201 1.00 0.00 O ATOM 605 CB TYR A 30 5.402 10.355 -0.579 1.00 0.00 C ATOM 606 CG TYR A 30 4.220 10.995 -1.272 1.00 0.00 C ATOM 607 CD1 TYR A 30 4.404 11.843 -2.357 1.00 0.00 C ATOM 608 CD2 TYR A 30 2.925 10.756 -0.837 1.00 0.00 C ATOM 609 CE1 TYR A 30 3.329 12.438 -2.986 1.00 0.00 C ATOM 610 CE2 TYR A 30 1.842 11.341 -1.461 1.00 0.00 C ATOM 611 CZ TYR A 30 2.048 12.183 -2.535 1.00 0.00 C ATOM 612 OH TYR A 30 0.970 12.780 -3.151 1.00 0.00 O ATOM 0 H TYR A 30 5.174 7.426 -0.740 1.00 0.00 H new ATOM 0 HA TYR A 30 6.284 9.582 -2.376 1.00 0.00 H new ATOM 0 HB2 TYR A 30 5.078 9.968 0.387 1.00 0.00 H new ATOM 0 HB3 TYR A 30 6.152 11.121 -0.380 1.00 0.00 H new ATOM 0 HD1 TYR A 30 5.404 12.040 -2.714 1.00 0.00 H new ATOM 0 HD2 TYR A 30 2.761 10.100 0.005 1.00 0.00 H new ATOM 0 HE1 TYR A 30 3.488 13.099 -3.825 1.00 0.00 H new ATOM 0 HE2 TYR A 30 0.840 11.141 -1.111 1.00 0.00 H new ATOM 0 HH TYR A 30 1.045 12.668 -4.122 1.00 0.00 H new ATOM 622 N ASP A 31 8.321 9.680 -0.657 1.00 0.00 N ATOM 623 CA ASP A 31 9.602 9.389 -0.020 1.00 0.00 C ATOM 624 C ASP A 31 9.460 9.382 1.502 1.00 0.00 C ATOM 625 O ASP A 31 10.048 8.543 2.191 1.00 0.00 O ATOM 626 CB ASP A 31 10.646 10.432 -0.450 1.00 0.00 C ATOM 627 CG ASP A 31 11.902 10.412 0.404 1.00 0.00 C ATOM 628 OD1 ASP A 31 12.855 9.677 0.062 1.00 0.00 O ATOM 629 OD2 ASP A 31 11.950 11.149 1.415 1.00 0.00 O ATOM 0 H ASP A 31 8.253 10.614 -1.061 1.00 0.00 H new ATOM 0 HA ASP A 31 9.932 8.400 -0.337 1.00 0.00 H new ATOM 0 HB2 ASP A 31 10.919 10.255 -1.490 1.00 0.00 H new ATOM 0 HB3 ASP A 31 10.199 11.425 -0.403 1.00 0.00 H new ATOM 634 N SER A 32 8.642 10.290 2.014 1.00 0.00 N ATOM 635 CA SER A 32 8.474 10.451 3.450 1.00 0.00 C ATOM 636 C SER A 32 7.240 11.296 3.756 1.00 0.00 C ATOM 637 O SER A 32 6.491 11.647 2.844 1.00 0.00 O ATOM 638 CB SER A 32 9.734 11.082 4.051 1.00 0.00 C ATOM 639 OG SER A 32 10.135 12.228 3.317 1.00 0.00 O ATOM 0 H SER A 32 8.081 10.930 1.452 1.00 0.00 H new ATOM 0 HA SER A 32 8.325 9.471 3.902 1.00 0.00 H new ATOM 0 HB2 SER A 32 9.546 11.359 5.088 1.00 0.00 H new ATOM 0 HB3 SER A 32 10.542 10.351 4.058 1.00 0.00 H new ATOM 0 HG SER A 32 10.762 11.962 2.612 1.00 0.00 H new ATOM 645 N GLN A 33 7.030 11.617 5.029 1.00 0.00 N ATOM 646 CA GLN A 33 5.846 12.365 5.454 1.00 0.00 C ATOM 647 C GLN A 33 5.797 13.749 4.810 1.00 0.00 C ATOM 648 O GLN A 33 4.761 14.168 4.298 1.00 0.00 O ATOM 649 CB GLN A 33 5.818 12.499 6.980 1.00 0.00 C ATOM 650 CG GLN A 33 4.640 13.312 7.501 1.00 0.00 C ATOM 651 CD GLN A 33 4.660 13.476 9.009 1.00 0.00 C ATOM 652 OE1 GLN A 33 5.721 13.485 9.630 1.00 0.00 O ATOM 653 NE2 GLN A 33 3.487 13.619 9.607 1.00 0.00 N ATOM 0 H GLN A 33 7.665 11.371 5.788 1.00 0.00 H new ATOM 0 HA GLN A 33 4.969 11.807 5.126 1.00 0.00 H new ATOM 0 HB2 GLN A 33 5.785 11.504 7.423 1.00 0.00 H new ATOM 0 HB3 GLN A 33 6.745 12.965 7.312 1.00 0.00 H new ATOM 0 HG2 GLN A 33 4.648 14.296 7.033 1.00 0.00 H new ATOM 0 HG3 GLN A 33 3.710 12.826 7.205 1.00 0.00 H new ATOM 0 HE21 GLN A 33 2.629 13.606 9.056 1.00 0.00 H new ATOM 0 HE22 GLN A 33 3.442 13.742 10.619 1.00 0.00 H new ATOM 662 N ASP A 34 6.920 14.454 4.828 1.00 0.00 N ATOM 663 CA ASP A 34 6.981 15.799 4.261 1.00 0.00 C ATOM 664 C ASP A 34 6.875 15.752 2.741 1.00 0.00 C ATOM 665 O ASP A 34 6.282 16.634 2.117 1.00 0.00 O ATOM 666 CB ASP A 34 8.272 16.502 4.682 1.00 0.00 C ATOM 667 CG ASP A 34 8.382 17.907 4.120 1.00 0.00 C ATOM 668 OD1 ASP A 34 7.544 18.764 4.480 1.00 0.00 O ATOM 669 OD2 ASP A 34 9.304 18.157 3.318 1.00 0.00 O ATOM 0 H ASP A 34 7.798 14.121 5.226 1.00 0.00 H new ATOM 0 HA ASP A 34 6.134 16.367 4.646 1.00 0.00 H new ATOM 0 HB2 ASP A 34 8.319 16.545 5.770 1.00 0.00 H new ATOM 0 HB3 ASP A 34 9.127 15.914 4.349 1.00 0.00 H new ATOM 674 N ASP A 35 7.411 14.686 2.159 1.00 0.00 N ATOM 675 CA ASP A 35 7.423 14.513 0.706 1.00 0.00 C ATOM 676 C ASP A 35 6.007 14.313 0.170 1.00 0.00 C ATOM 677 O ASP A 35 5.756 14.481 -1.018 1.00 0.00 O ATOM 678 CB ASP A 35 8.302 13.318 0.322 1.00 0.00 C ATOM 679 CG ASP A 35 8.435 13.125 -1.181 1.00 0.00 C ATOM 680 OD1 ASP A 35 9.098 13.957 -1.833 1.00 0.00 O ATOM 681 OD2 ASP A 35 7.886 12.134 -1.710 1.00 0.00 O ATOM 0 H ASP A 35 7.847 13.921 2.673 1.00 0.00 H new ATOM 0 HA ASP A 35 7.836 15.418 0.259 1.00 0.00 H new ATOM 0 HB2 ASP A 35 9.294 13.453 0.753 1.00 0.00 H new ATOM 0 HB3 ASP A 35 7.884 12.413 0.762 1.00 0.00 H new ATOM 686 N VAL A 36 5.078 13.986 1.063 1.00 0.00 N ATOM 687 CA VAL A 36 3.681 13.774 0.687 1.00 0.00 C ATOM 688 C VAL A 36 3.112 15.009 0.000 1.00 0.00 C ATOM 689 O VAL A 36 2.322 14.911 -0.939 1.00 0.00 O ATOM 690 CB VAL A 36 2.811 13.425 1.919 1.00 0.00 C ATOM 691 CG1 VAL A 36 1.332 13.379 1.555 1.00 0.00 C ATOM 692 CG2 VAL A 36 3.251 12.101 2.520 1.00 0.00 C ATOM 0 H VAL A 36 5.267 13.861 2.057 1.00 0.00 H new ATOM 0 HA VAL A 36 3.658 12.933 -0.006 1.00 0.00 H new ATOM 0 HB VAL A 36 2.949 14.211 2.662 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.747 13.132 2.441 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.021 14.352 1.174 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.169 12.621 0.789 1.00 0.00 H new ATOM 0 HG21 VAL A 36 2.630 11.870 3.385 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.146 11.311 1.776 1.00 0.00 H new ATOM 0 HG23 VAL A 36 4.294 12.171 2.830 1.00 0.00 H new ATOM 702 N CYS A 37 3.537 16.172 0.458 1.00 0.00 N ATOM 703 CA CYS A 37 3.051 17.418 -0.088 1.00 0.00 C ATOM 704 C CYS A 37 3.879 17.842 -1.302 1.00 0.00 C ATOM 705 O CYS A 37 3.363 18.475 -2.226 1.00 0.00 O ATOM 706 CB CYS A 37 3.095 18.501 0.995 1.00 0.00 C ATOM 707 SG CYS A 37 2.504 20.122 0.461 1.00 0.00 S ATOM 0 H CYS A 37 4.220 16.276 1.209 1.00 0.00 H new ATOM 0 HA CYS A 37 2.022 17.280 -0.418 1.00 0.00 H new ATOM 0 HB2 CYS A 37 2.496 18.172 1.844 1.00 0.00 H new ATOM 0 HB3 CYS A 37 4.121 18.601 1.349 1.00 0.00 H new ATOM 0 HG CYS A 37 2.577 20.205 -0.834 1.00 0.00 H new ATOM 713 N LYS A 38 5.155 17.471 -1.302 1.00 0.00 N ATOM 714 CA LYS A 38 6.096 17.946 -2.302 1.00 0.00 C ATOM 715 C LYS A 38 6.127 17.062 -3.545 1.00 0.00 C ATOM 716 O LYS A 38 6.246 17.555 -4.666 1.00 0.00 O ATOM 717 CB LYS A 38 7.513 17.985 -1.721 1.00 0.00 C ATOM 718 CG LYS A 38 7.594 18.219 -0.219 1.00 0.00 C ATOM 719 CD LYS A 38 6.919 19.509 0.203 1.00 0.00 C ATOM 720 CE LYS A 38 7.513 20.022 1.501 1.00 0.00 C ATOM 721 NZ LYS A 38 6.779 21.197 2.031 1.00 0.00 N ATOM 0 H LYS A 38 5.561 16.837 -0.613 1.00 0.00 H new ATOM 0 HA LYS A 38 5.759 18.942 -2.588 1.00 0.00 H new ATOM 0 HB2 LYS A 38 8.009 17.042 -1.952 1.00 0.00 H new ATOM 0 HB3 LYS A 38 8.073 18.772 -2.225 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.129 17.382 0.302 1.00 0.00 H new ATOM 0 HG3 LYS A 38 8.640 18.243 0.086 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.036 20.260 -0.579 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.849 19.342 0.327 1.00 0.00 H new ATOM 0 HE2 LYS A 38 7.501 19.224 2.244 1.00 0.00 H new ATOM 0 HE3 LYS A 38 8.557 20.291 1.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 7.221 21.512 2.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.811 21.969 1.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.789 20.935 2.212 1.00 0.00 H new ATOM 735 N GLY A 39 6.015 15.761 -3.328 1.00 0.00 N ATOM 736 CA GLY A 39 6.374 14.795 -4.342 1.00 0.00 C ATOM 737 C GLY A 39 5.317 14.541 -5.392 1.00 0.00 C ATOM 738 O GLY A 39 4.743 15.467 -5.965 1.00 0.00 O ATOM 0 H GLY A 39 5.677 15.354 -2.456 1.00 0.00 H new ATOM 0 HA2 GLY A 39 7.283 15.135 -4.839 1.00 0.00 H new ATOM 0 HA3 GLY A 39 6.612 13.850 -3.853 1.00 0.00 H new ATOM 742 N SER A 40 5.057 13.269 -5.630 1.00 0.00 N ATOM 743 CA SER A 40 4.309 12.853 -6.799 1.00 0.00 C ATOM 744 C SER A 40 2.840 12.572 -6.519 1.00 0.00 C ATOM 745 O SER A 40 2.484 11.766 -5.666 1.00 0.00 O ATOM 746 CB SER A 40 4.974 11.637 -7.438 1.00 0.00 C ATOM 747 OG SER A 40 5.256 10.632 -6.476 1.00 0.00 O ATOM 0 H SER A 40 5.355 12.503 -5.025 1.00 0.00 H new ATOM 0 HA SER A 40 4.325 13.694 -7.492 1.00 0.00 H new ATOM 0 HB2 SER A 40 4.323 11.229 -8.211 1.00 0.00 H new ATOM 0 HB3 SER A 40 5.898 11.942 -7.928 1.00 0.00 H new ATOM 0 HG SER A 40 4.516 10.576 -5.835 1.00 0.00 H new ATOM 753 N LYS A 41 1.995 13.210 -7.315 1.00 0.00 N ATOM 754 CA LYS A 41 0.550 13.081 -7.189 1.00 0.00 C ATOM 755 C LYS A 41 0.036 12.029 -8.162 1.00 0.00 C ATOM 756 O LYS A 41 -1.163 11.940 -8.431 1.00 0.00 O ATOM 757 CB LYS A 41 -0.148 14.425 -7.441 1.00 0.00 C ATOM 758 CG LYS A 41 -0.040 15.394 -6.276 1.00 0.00 C ATOM 759 CD LYS A 41 1.390 15.855 -6.065 1.00 0.00 C ATOM 760 CE LYS A 41 1.645 16.221 -4.617 1.00 0.00 C ATOM 761 NZ LYS A 41 0.948 17.473 -4.214 1.00 0.00 N ATOM 0 H LYS A 41 2.291 13.832 -8.067 1.00 0.00 H new ATOM 0 HA LYS A 41 0.321 12.768 -6.170 1.00 0.00 H new ATOM 0 HB2 LYS A 41 0.283 14.888 -8.329 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -1.201 14.243 -7.655 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -0.678 16.258 -6.460 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -0.406 14.915 -5.368 1.00 0.00 H new ATOM 0 HD2 LYS A 41 2.077 15.065 -6.369 1.00 0.00 H new ATOM 0 HD3 LYS A 41 1.594 16.717 -6.701 1.00 0.00 H new ATOM 0 HE2 LYS A 41 1.316 15.403 -3.976 1.00 0.00 H new ATOM 0 HE3 LYS A 41 2.717 16.339 -4.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 1.537 17.995 -3.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 0.782 18.064 -5.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 0.037 17.236 -3.772 1.00 0.00 H new ATOM 775 N GLY A 42 0.964 11.252 -8.705 1.00 0.00 N ATOM 776 CA GLY A 42 0.601 10.151 -9.576 1.00 0.00 C ATOM 777 C GLY A 42 -0.232 9.127 -8.839 1.00 0.00 C ATOM 778 O GLY A 42 -1.277 8.697 -9.332 1.00 0.00 O ATOM 0 H GLY A 42 1.967 11.366 -8.557 1.00 0.00 H new ATOM 0 HA2 GLY A 42 0.044 10.529 -10.433 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.503 9.679 -9.966 1.00 0.00 H new ATOM 782 N SER A 43 0.243 8.764 -7.642 1.00 0.00 N ATOM 783 CA SER A 43 -0.461 7.873 -6.713 1.00 0.00 C ATOM 784 C SER A 43 -0.853 6.533 -7.346 1.00 0.00 C ATOM 785 O SER A 43 -0.498 6.229 -8.485 1.00 0.00 O ATOM 786 CB SER A 43 -1.699 8.574 -6.131 1.00 0.00 C ATOM 787 OG SER A 43 -2.622 8.953 -7.139 1.00 0.00 O ATOM 0 H SER A 43 1.143 9.087 -7.286 1.00 0.00 H new ATOM 0 HA SER A 43 0.239 7.645 -5.909 1.00 0.00 H new ATOM 0 HB2 SER A 43 -2.191 7.909 -5.421 1.00 0.00 H new ATOM 0 HB3 SER A 43 -1.386 9.458 -5.575 1.00 0.00 H new ATOM 0 HG SER A 43 -2.372 8.531 -7.987 1.00 0.00 H new ATOM 793 N ILE A 44 -1.544 5.716 -6.563 1.00 0.00 N ATOM 794 CA ILE A 44 -2.075 4.450 -7.026 1.00 0.00 C ATOM 795 C ILE A 44 -3.572 4.401 -6.758 1.00 0.00 C ATOM 796 O ILE A 44 -4.017 4.515 -5.617 1.00 0.00 O ATOM 797 CB ILE A 44 -1.396 3.250 -6.329 1.00 0.00 C ATOM 798 CG1 ILE A 44 0.101 3.225 -6.651 1.00 0.00 C ATOM 799 CG2 ILE A 44 -2.063 1.947 -6.754 1.00 0.00 C ATOM 800 CD1 ILE A 44 0.859 2.130 -5.932 1.00 0.00 C ATOM 0 H ILE A 44 -1.751 5.918 -5.585 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.874 4.377 -8.095 1.00 0.00 H new ATOM 0 HB ILE A 44 -1.511 3.358 -5.251 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.230 3.099 -7.726 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.536 4.189 -6.388 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -1.575 1.109 -6.256 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -3.117 1.970 -6.477 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -1.975 1.828 -7.834 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.912 2.174 -6.209 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.761 2.266 -4.855 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.450 1.159 -6.213 1.00 0.00 H new ATOM 812 N LYS A 45 -4.342 4.244 -7.813 1.00 0.00 N ATOM 813 CA LYS A 45 -5.792 4.192 -7.703 1.00 0.00 C ATOM 814 C LYS A 45 -6.237 2.820 -7.208 1.00 0.00 C ATOM 815 O LYS A 45 -6.034 1.818 -7.887 1.00 0.00 O ATOM 816 CB LYS A 45 -6.421 4.506 -9.064 1.00 0.00 C ATOM 817 CG LYS A 45 -7.867 4.056 -9.203 1.00 0.00 C ATOM 818 CD LYS A 45 -8.439 4.457 -10.551 1.00 0.00 C ATOM 819 CE LYS A 45 -8.448 5.966 -10.704 1.00 0.00 C ATOM 820 NZ LYS A 45 -8.942 6.408 -12.036 1.00 0.00 N ATOM 0 H LYS A 45 -3.989 4.149 -8.765 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.124 4.937 -6.980 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.369 5.581 -9.236 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -5.828 4.029 -9.844 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -7.927 2.974 -9.087 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -8.466 4.496 -8.405 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.848 4.009 -11.350 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -9.453 4.071 -10.650 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -9.075 6.402 -9.926 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.439 6.348 -10.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -8.927 7.447 -12.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.330 6.017 -12.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -9.915 6.069 -12.175 1.00 0.00 H new ATOM 834 N MET A 46 -6.846 2.778 -6.024 1.00 0.00 N ATOM 835 CA MET A 46 -7.311 1.516 -5.454 1.00 0.00 C ATOM 836 C MET A 46 -8.426 0.915 -6.292 1.00 0.00 C ATOM 837 O MET A 46 -8.559 -0.293 -6.373 1.00 0.00 O ATOM 838 CB MET A 46 -7.812 1.698 -4.019 1.00 0.00 C ATOM 839 CG MET A 46 -6.708 1.873 -2.984 1.00 0.00 C ATOM 840 SD MET A 46 -6.882 0.728 -1.609 1.00 0.00 S ATOM 841 CE MET A 46 -6.553 -0.818 -2.444 1.00 0.00 C ATOM 0 H MET A 46 -7.028 3.598 -5.445 1.00 0.00 H new ATOM 0 HA MET A 46 -6.456 0.840 -5.449 1.00 0.00 H new ATOM 0 HB2 MET A 46 -8.468 2.568 -3.984 1.00 0.00 H new ATOM 0 HB3 MET A 46 -8.416 0.833 -3.745 1.00 0.00 H new ATOM 0 HG2 MET A 46 -5.739 1.723 -3.460 1.00 0.00 H new ATOM 0 HG3 MET A 46 -6.723 2.896 -2.608 1.00 0.00 H new ATOM 0 HE1 MET A 46 -7.473 -1.399 -2.509 1.00 0.00 H new ATOM 0 HE2 MET A 46 -6.179 -0.617 -3.448 1.00 0.00 H new ATOM 0 HE3 MET A 46 -5.806 -1.382 -1.885 1.00 0.00 H new ATOM 851 N ALA A 47 -9.213 1.770 -6.929 1.00 0.00 N ATOM 852 CA ALA A 47 -10.356 1.319 -7.720 1.00 0.00 C ATOM 853 C ALA A 47 -9.920 0.520 -8.949 1.00 0.00 C ATOM 854 O ALA A 47 -10.736 -0.131 -9.599 1.00 0.00 O ATOM 855 CB ALA A 47 -11.203 2.510 -8.136 1.00 0.00 C ATOM 0 H ALA A 47 -9.083 2.782 -6.915 1.00 0.00 H new ATOM 0 HA ALA A 47 -10.951 0.654 -7.094 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -12.052 2.164 -8.725 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -11.564 3.028 -7.247 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -10.601 3.194 -8.734 1.00 0.00 H new ATOM 861 N VAL A 48 -8.635 0.582 -9.266 1.00 0.00 N ATOM 862 CA VAL A 48 -8.095 -0.122 -10.419 1.00 0.00 C ATOM 863 C VAL A 48 -6.925 -1.017 -9.993 1.00 0.00 C ATOM 864 O VAL A 48 -6.289 -1.682 -10.811 1.00 0.00 O ATOM 865 CB VAL A 48 -7.643 0.888 -11.496 1.00 0.00 C ATOM 866 CG1 VAL A 48 -6.384 1.620 -11.065 1.00 0.00 C ATOM 867 CG2 VAL A 48 -7.447 0.223 -12.845 1.00 0.00 C ATOM 0 H VAL A 48 -7.944 1.115 -8.738 1.00 0.00 H new ATOM 0 HA VAL A 48 -8.875 -0.754 -10.844 1.00 0.00 H new ATOM 0 HB VAL A 48 -8.442 1.621 -11.606 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -6.089 2.325 -11.842 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -6.577 2.161 -10.139 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.582 0.900 -10.904 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -7.129 0.968 -13.575 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.685 -0.552 -12.761 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -8.386 -0.225 -13.169 1.00 0.00 H new ATOM 877 N CYS A 49 -6.659 -1.037 -8.696 1.00 0.00 N ATOM 878 CA CYS A 49 -5.533 -1.778 -8.151 1.00 0.00 C ATOM 879 C CYS A 49 -5.987 -2.662 -7.002 1.00 0.00 C ATOM 880 O CYS A 49 -6.569 -2.183 -6.031 1.00 0.00 O ATOM 881 CB CYS A 49 -4.446 -0.810 -7.675 1.00 0.00 C ATOM 882 SG CYS A 49 -3.038 -1.600 -6.857 1.00 0.00 S ATOM 0 H CYS A 49 -7.213 -0.544 -7.996 1.00 0.00 H new ATOM 0 HA CYS A 49 -5.121 -2.413 -8.936 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -4.081 -0.245 -8.532 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -4.893 -0.092 -6.987 1.00 0.00 H new ATOM 0 HG CYS A 49 -1.966 -0.893 -7.060 1.00 0.00 H new ATOM 888 N GLU A 50 -5.694 -3.946 -7.103 1.00 0.00 N ATOM 889 CA GLU A 50 -6.105 -4.894 -6.089 1.00 0.00 C ATOM 890 C GLU A 50 -5.062 -4.992 -4.991 1.00 0.00 C ATOM 891 O GLU A 50 -3.862 -5.082 -5.254 1.00 0.00 O ATOM 892 CB GLU A 50 -6.339 -6.279 -6.700 1.00 0.00 C ATOM 893 CG GLU A 50 -7.651 -6.402 -7.456 1.00 0.00 C ATOM 894 CD GLU A 50 -8.828 -6.637 -6.529 1.00 0.00 C ATOM 895 OE1 GLU A 50 -9.090 -5.790 -5.654 1.00 0.00 O ATOM 896 OE2 GLU A 50 -9.491 -7.689 -6.660 1.00 0.00 O ATOM 0 H GLU A 50 -5.172 -4.354 -7.879 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.040 -4.535 -5.660 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -5.517 -6.511 -7.377 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -6.317 -7.025 -5.905 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -7.822 -5.494 -8.034 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -7.582 -7.224 -8.168 1.00 0.00 H new ATOM 903 N ILE A 51 -5.533 -4.951 -3.763 1.00 0.00 N ATOM 904 CA ILE A 51 -4.696 -5.192 -2.607 1.00 0.00 C ATOM 905 C ILE A 51 -4.910 -6.624 -2.156 1.00 0.00 C ATOM 906 O ILE A 51 -6.022 -7.017 -1.807 1.00 0.00 O ATOM 907 CB ILE A 51 -5.017 -4.206 -1.459 1.00 0.00 C ATOM 908 CG1 ILE A 51 -4.392 -4.654 -0.133 1.00 0.00 C ATOM 909 CG2 ILE A 51 -6.521 -4.035 -1.306 1.00 0.00 C ATOM 910 CD1 ILE A 51 -2.884 -4.560 -0.093 1.00 0.00 C ATOM 0 H ILE A 51 -6.507 -4.750 -3.538 1.00 0.00 H new ATOM 0 HA ILE A 51 -3.652 -5.034 -2.878 1.00 0.00 H new ATOM 0 HB ILE A 51 -4.577 -3.244 -1.722 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -4.804 -4.046 0.673 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -4.685 -5.685 0.063 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.727 -3.338 -0.494 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -6.939 -3.645 -2.234 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -6.976 -5.000 -1.081 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.524 -4.896 0.880 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -2.459 -5.190 -0.874 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -2.579 -3.526 -0.255 1.00 0.00 H new ATOM 922 N LYS A 52 -3.853 -7.406 -2.178 1.00 0.00 N ATOM 923 CA LYS A 52 -3.975 -8.826 -1.923 1.00 0.00 C ATOM 924 C LYS A 52 -3.959 -9.070 -0.422 1.00 0.00 C ATOM 925 O LYS A 52 -2.935 -8.889 0.243 1.00 0.00 O ATOM 926 CB LYS A 52 -2.845 -9.593 -2.618 1.00 0.00 C ATOM 927 CG LYS A 52 -2.695 -9.279 -4.109 1.00 0.00 C ATOM 928 CD LYS A 52 -3.940 -9.627 -4.912 1.00 0.00 C ATOM 929 CE LYS A 52 -3.587 -10.124 -6.309 1.00 0.00 C ATOM 930 NZ LYS A 52 -2.613 -11.250 -6.292 1.00 0.00 N ATOM 0 H LYS A 52 -2.904 -7.086 -2.369 1.00 0.00 H new ATOM 0 HA LYS A 52 -4.919 -9.189 -2.329 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -1.905 -9.367 -2.115 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -3.021 -10.662 -2.500 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.473 -8.219 -4.232 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.844 -9.831 -4.508 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -4.510 -10.393 -4.386 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -4.581 -8.749 -4.989 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -4.497 -10.444 -6.816 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -3.172 -9.300 -6.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -2.861 -11.934 -7.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.655 -10.883 -6.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -2.642 -11.720 -5.365 1.00 0.00 H new ATOM 944 N VAL A 53 -5.112 -9.469 0.099 1.00 0.00 N ATOM 945 CA VAL A 53 -5.320 -9.591 1.533 1.00 0.00 C ATOM 946 C VAL A 53 -5.840 -10.986 1.894 1.00 0.00 C ATOM 947 O VAL A 53 -6.537 -11.619 1.101 1.00 0.00 O ATOM 948 CB VAL A 53 -6.288 -8.481 2.043 1.00 0.00 C ATOM 949 CG1 VAL A 53 -6.720 -8.722 3.483 1.00 0.00 C ATOM 950 CG2 VAL A 53 -5.618 -7.120 1.925 1.00 0.00 C ATOM 0 H VAL A 53 -5.928 -9.717 -0.461 1.00 0.00 H new ATOM 0 HA VAL A 53 -4.359 -9.456 2.030 1.00 0.00 H new ATOM 0 HB VAL A 53 -7.183 -8.509 1.421 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -7.394 -7.926 3.799 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -7.234 -9.681 3.553 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -5.842 -8.732 4.129 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -6.298 -6.347 2.283 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -4.708 -7.109 2.526 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.366 -6.928 0.882 1.00 0.00 H new ATOM 960 N HIS A 54 -5.456 -11.460 3.087 1.00 0.00 N ATOM 961 CA HIS A 54 -5.835 -12.785 3.592 1.00 0.00 C ATOM 962 C HIS A 54 -5.095 -13.882 2.821 1.00 0.00 C ATOM 963 O HIS A 54 -5.661 -14.918 2.473 1.00 0.00 O ATOM 964 CB HIS A 54 -7.359 -12.991 3.527 1.00 0.00 C ATOM 965 CG HIS A 54 -7.855 -14.154 4.345 1.00 0.00 C ATOM 966 ND1 HIS A 54 -8.311 -15.333 3.790 1.00 0.00 N ATOM 967 CD2 HIS A 54 -7.962 -14.310 5.687 1.00 0.00 C ATOM 968 CE1 HIS A 54 -8.676 -16.159 4.754 1.00 0.00 C ATOM 969 NE2 HIS A 54 -8.473 -15.562 5.910 1.00 0.00 N ATOM 0 H HIS A 54 -4.870 -10.931 3.732 1.00 0.00 H new ATOM 0 HA HIS A 54 -5.542 -12.847 4.640 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -7.853 -12.082 3.870 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -7.651 -13.140 2.488 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -7.695 -13.583 6.440 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -9.073 -17.154 4.617 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -8.666 -15.967 6.826 1.00 0.00 H new ATOM 978 N SER A 55 -3.822 -13.630 2.541 1.00 0.00 N ATOM 979 CA SER A 55 -2.968 -14.614 1.893 1.00 0.00 C ATOM 980 C SER A 55 -2.738 -15.811 2.817 1.00 0.00 C ATOM 981 O SER A 55 -3.297 -16.884 2.607 1.00 0.00 O ATOM 982 CB SER A 55 -1.635 -13.965 1.530 1.00 0.00 C ATOM 983 OG SER A 55 -1.816 -12.589 1.242 1.00 0.00 O ATOM 0 H SER A 55 -3.358 -12.747 2.755 1.00 0.00 H new ATOM 0 HA SER A 55 -3.456 -14.970 0.986 1.00 0.00 H new ATOM 0 HB2 SER A 55 -0.931 -14.081 2.354 1.00 0.00 H new ATOM 0 HB3 SER A 55 -1.201 -14.469 0.667 1.00 0.00 H new ATOM 0 HG SER A 55 -0.952 -12.186 1.013 1.00 0.00 H new ATOM 989 N ALA A 56 -1.925 -15.602 3.853 1.00 0.00 N ATOM 990 CA ALA A 56 -1.641 -16.633 4.847 1.00 0.00 C ATOM 991 C ALA A 56 -0.944 -16.011 6.047 1.00 0.00 C ATOM 992 O ALA A 56 -1.563 -15.768 7.084 1.00 0.00 O ATOM 993 CB ALA A 56 -0.779 -17.743 4.255 1.00 0.00 C ATOM 0 H ALA A 56 -1.448 -14.717 4.025 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.585 -17.074 5.166 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -0.583 -18.497 5.017 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -1.302 -18.202 3.416 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.165 -17.324 3.908 1.00 0.00 H new ATOM 999 N ASP A 57 0.343 -15.734 5.886 1.00 0.00 N ATOM 1000 CA ASP A 57 1.118 -15.038 6.908 1.00 0.00 C ATOM 1001 C ASP A 57 0.678 -13.586 6.989 1.00 0.00 C ATOM 1002 O ASP A 57 0.061 -13.063 6.056 1.00 0.00 O ATOM 1003 CB ASP A 57 2.611 -15.088 6.580 1.00 0.00 C ATOM 1004 CG ASP A 57 3.176 -16.490 6.573 1.00 0.00 C ATOM 1005 OD1 ASP A 57 3.044 -17.181 5.541 1.00 0.00 O ATOM 1006 OD2 ASP A 57 3.774 -16.897 7.589 1.00 0.00 O ATOM 0 H ASP A 57 0.876 -15.982 5.053 1.00 0.00 H new ATOM 0 HA ASP A 57 0.945 -15.533 7.864 1.00 0.00 H new ATOM 0 HB2 ASP A 57 2.777 -14.632 5.604 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.156 -14.488 7.309 1.00 0.00 H new ATOM 1011 N ASN A 58 0.990 -12.934 8.096 1.00 0.00 N ATOM 1012 CA ASN A 58 0.635 -11.536 8.269 1.00 0.00 C ATOM 1013 C ASN A 58 1.790 -10.622 7.890 1.00 0.00 C ATOM 1014 O ASN A 58 2.850 -11.095 7.503 1.00 0.00 O ATOM 1015 CB ASN A 58 0.182 -11.258 9.700 1.00 0.00 C ATOM 1016 CG ASN A 58 -1.222 -11.763 9.965 1.00 0.00 C ATOM 1017 OD1 ASN A 58 -2.201 -11.069 9.689 1.00 0.00 O ATOM 1018 ND2 ASN A 58 -1.328 -12.965 10.505 1.00 0.00 N ATOM 0 H ASN A 58 1.486 -13.348 8.885 1.00 0.00 H new ATOM 0 HA ASN A 58 -0.198 -11.325 7.598 1.00 0.00 H new ATOM 0 HB2 ASN A 58 0.874 -11.731 10.397 1.00 0.00 H new ATOM 0 HB3 ASN A 58 0.222 -10.185 9.890 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -2.249 -13.353 10.710 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -0.489 -13.505 10.717 1.00 0.00 H new ATOM 1025 N THR A 59 1.550 -9.311 8.019 1.00 0.00 N ATOM 1026 CA THR A 59 2.459 -8.229 7.586 1.00 0.00 C ATOM 1027 C THR A 59 2.561 -8.132 6.059 1.00 0.00 C ATOM 1028 O THR A 59 3.135 -7.184 5.535 1.00 0.00 O ATOM 1029 CB THR A 59 3.897 -8.331 8.170 1.00 0.00 C ATOM 1030 OG1 THR A 59 4.654 -9.348 7.510 1.00 0.00 O ATOM 1031 CG2 THR A 59 3.872 -8.620 9.659 1.00 0.00 C ATOM 0 H THR A 59 0.691 -8.957 8.441 1.00 0.00 H new ATOM 0 HA THR A 59 1.997 -7.327 7.988 1.00 0.00 H new ATOM 0 HB THR A 59 4.372 -7.364 8.003 1.00 0.00 H new ATOM 0 HG1 THR A 59 4.277 -10.227 7.723 1.00 0.00 H new ATOM 0 HG21 THR A 59 4.893 -8.685 10.034 1.00 0.00 H new ATOM 0 HG22 THR A 59 3.345 -7.818 10.176 1.00 0.00 H new ATOM 0 HG23 THR A 59 3.359 -9.565 9.838 1.00 0.00 H new ATOM 1039 N ARG A 60 1.970 -9.086 5.352 1.00 0.00 N ATOM 1040 CA ARG A 60 2.230 -9.254 3.924 1.00 0.00 C ATOM 1041 C ARG A 60 1.025 -8.879 3.066 1.00 0.00 C ATOM 1042 O ARG A 60 -0.062 -9.444 3.229 1.00 0.00 O ATOM 1043 CB ARG A 60 2.605 -10.708 3.666 1.00 0.00 C ATOM 1044 CG ARG A 60 3.650 -11.235 4.634 1.00 0.00 C ATOM 1045 CD ARG A 60 3.875 -12.726 4.442 1.00 0.00 C ATOM 1046 NE ARG A 60 4.214 -13.052 3.055 1.00 0.00 N ATOM 1047 CZ ARG A 60 3.918 -14.213 2.461 1.00 0.00 C ATOM 1048 NH1 ARG A 60 3.337 -15.190 3.150 1.00 0.00 N ATOM 1049 NH2 ARG A 60 4.233 -14.405 1.185 1.00 0.00 N ATOM 0 H ARG A 60 1.307 -9.756 5.742 1.00 0.00 H new ATOM 0 HA ARG A 60 3.044 -8.584 3.647 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.710 -11.326 3.736 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.980 -10.805 2.647 1.00 0.00 H new ATOM 0 HG2 ARG A 60 4.589 -10.701 4.486 1.00 0.00 H new ATOM 0 HG3 ARG A 60 3.331 -11.042 5.658 1.00 0.00 H new ATOM 0 HD2 ARG A 60 4.677 -13.060 5.100 1.00 0.00 H new ATOM 0 HD3 ARG A 60 2.976 -13.269 4.734 1.00 0.00 H new ATOM 0 HE ARG A 60 4.708 -12.348 2.507 1.00 0.00 H new ATOM 0 HH11 ARG A 60 3.115 -15.056 4.136 1.00 0.00 H new ATOM 0 HH12 ARG A 60 3.113 -16.074 2.692 1.00 0.00 H new ATOM 0 HH21 ARG A 60 4.701 -13.667 0.659 1.00 0.00 H new ATOM 0 HH22 ARG A 60 4.007 -15.290 0.732 1.00 0.00 H new ATOM 1063 N MET A 61 1.212 -7.909 2.173 1.00 0.00 N ATOM 1064 CA MET A 61 0.186 -7.535 1.206 1.00 0.00 C ATOM 1065 C MET A 61 0.815 -7.220 -0.155 1.00 0.00 C ATOM 1066 O MET A 61 1.980 -6.828 -0.238 1.00 0.00 O ATOM 1067 CB MET A 61 -0.607 -6.323 1.705 1.00 0.00 C ATOM 1068 CG MET A 61 -1.045 -6.440 3.150 1.00 0.00 C ATOM 1069 SD MET A 61 0.120 -5.695 4.308 1.00 0.00 S ATOM 1070 CE MET A 61 -0.266 -3.964 4.081 1.00 0.00 C ATOM 0 H MET A 61 2.072 -7.365 2.101 1.00 0.00 H new ATOM 0 HA MET A 61 -0.494 -8.379 1.092 1.00 0.00 H new ATOM 0 HB2 MET A 61 0.003 -5.427 1.590 1.00 0.00 H new ATOM 0 HB3 MET A 61 -1.488 -6.191 1.076 1.00 0.00 H new ATOM 0 HG2 MET A 61 -2.019 -5.964 3.267 1.00 0.00 H new ATOM 0 HG3 MET A 61 -1.173 -7.493 3.400 1.00 0.00 H new ATOM 0 HE1 MET A 61 0.164 -3.385 4.898 1.00 0.00 H new ATOM 0 HE2 MET A 61 0.150 -3.619 3.134 1.00 0.00 H new ATOM 0 HE3 MET A 61 -1.348 -3.831 4.072 1.00 0.00 H new ATOM 1080 N GLU A 62 0.040 -7.401 -1.216 1.00 0.00 N ATOM 1081 CA GLU A 62 0.506 -7.144 -2.575 1.00 0.00 C ATOM 1082 C GLU A 62 -0.428 -6.171 -3.283 1.00 0.00 C ATOM 1083 O GLU A 62 -1.643 -6.250 -3.135 1.00 0.00 O ATOM 1084 CB GLU A 62 0.594 -8.463 -3.350 1.00 0.00 C ATOM 1085 CG GLU A 62 0.737 -8.300 -4.856 1.00 0.00 C ATOM 1086 CD GLU A 62 0.847 -9.635 -5.565 1.00 0.00 C ATOM 1087 OE1 GLU A 62 -0.205 -10.221 -5.904 1.00 0.00 O ATOM 1088 OE2 GLU A 62 1.984 -10.108 -5.780 1.00 0.00 O ATOM 0 H GLU A 62 -0.925 -7.728 -1.161 1.00 0.00 H new ATOM 0 HA GLU A 62 1.497 -6.693 -2.530 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.444 -9.034 -2.976 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.300 -9.052 -3.144 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.122 -7.753 -5.244 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.621 -7.701 -5.073 1.00 0.00 H new ATOM 1095 N LEU A 63 0.142 -5.238 -4.025 1.00 0.00 N ATOM 1096 CA LEU A 63 -0.647 -4.292 -4.791 1.00 0.00 C ATOM 1097 C LEU A 63 -0.474 -4.567 -6.276 1.00 0.00 C ATOM 1098 O LEU A 63 0.642 -4.528 -6.804 1.00 0.00 O ATOM 1099 CB LEU A 63 -0.228 -2.854 -4.466 1.00 0.00 C ATOM 1100 CG LEU A 63 -0.857 -2.236 -3.210 1.00 0.00 C ATOM 1101 CD1 LEU A 63 -2.353 -2.051 -3.388 1.00 0.00 C ATOM 1102 CD2 LEU A 63 -0.575 -3.088 -1.987 1.00 0.00 C ATOM 0 H LEU A 63 1.151 -5.116 -4.113 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.697 -4.411 -4.524 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.856 -2.829 -4.355 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -0.475 -2.223 -5.320 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.404 -1.256 -3.059 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.775 -1.612 -2.484 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.540 -1.390 -4.234 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.820 -3.018 -3.573 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.031 -2.628 -1.110 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -0.993 -4.084 -2.133 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.502 -3.165 -1.837 1.00 0.00 H new ATOM 1114 N ILE A 64 -1.577 -4.842 -6.944 1.00 0.00 N ATOM 1115 CA ILE A 64 -1.549 -5.165 -8.358 1.00 0.00 C ATOM 1116 C ILE A 64 -2.445 -4.213 -9.157 1.00 0.00 C ATOM 1117 O ILE A 64 -3.664 -4.188 -8.989 1.00 0.00 O ATOM 1118 CB ILE A 64 -1.951 -6.650 -8.590 1.00 0.00 C ATOM 1119 CG1 ILE A 64 -2.417 -6.900 -10.034 1.00 0.00 C ATOM 1120 CG2 ILE A 64 -3.010 -7.100 -7.587 1.00 0.00 C ATOM 1121 CD1 ILE A 64 -1.323 -6.747 -11.073 1.00 0.00 C ATOM 0 H ILE A 64 -2.508 -4.848 -6.528 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.528 -5.034 -8.718 1.00 0.00 H new ATOM 0 HB ILE A 64 -1.057 -7.252 -8.429 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.830 -7.907 -10.102 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.225 -6.208 -10.269 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -3.270 -8.142 -7.775 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -2.618 -7.001 -6.575 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -3.900 -6.479 -7.694 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.733 -6.940 -12.064 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.925 -5.733 -11.036 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.523 -7.458 -10.867 1.00 0.00 H new ATOM 1133 N ILE A 65 -1.811 -3.433 -10.026 1.00 0.00 N ATOM 1134 CA ILE A 65 -2.489 -2.450 -10.852 1.00 0.00 C ATOM 1135 C ILE A 65 -2.064 -2.631 -12.312 1.00 0.00 C ATOM 1136 O ILE A 65 -0.893 -2.460 -12.649 1.00 0.00 O ATOM 1137 CB ILE A 65 -2.171 -1.009 -10.347 1.00 0.00 C ATOM 1138 CG1 ILE A 65 -2.253 0.039 -11.465 1.00 0.00 C ATOM 1139 CG2 ILE A 65 -0.788 -0.968 -9.707 1.00 0.00 C ATOM 1140 CD1 ILE A 65 -3.585 0.123 -12.176 1.00 0.00 C ATOM 0 H ILE A 65 -0.803 -3.468 -10.175 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.567 -2.596 -10.783 1.00 0.00 H new ATOM 0 HB ILE A 65 -2.931 -0.759 -9.607 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -2.024 1.017 -11.041 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -1.480 -0.178 -12.202 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -0.578 0.043 -9.359 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -0.757 -1.656 -8.862 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -0.038 -1.262 -10.442 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -3.538 0.892 -12.947 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -3.813 -0.838 -12.636 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -4.365 0.376 -11.458 1.00 0.00 H new ATOM 1152 N PRO A 66 -3.012 -2.996 -13.189 1.00 0.00 N ATOM 1153 CA PRO A 66 -2.732 -3.254 -14.605 1.00 0.00 C ATOM 1154 C PRO A 66 -2.103 -2.051 -15.306 1.00 0.00 C ATOM 1155 O PRO A 66 -2.705 -0.980 -15.396 1.00 0.00 O ATOM 1156 CB PRO A 66 -4.111 -3.556 -15.197 1.00 0.00 C ATOM 1157 CG PRO A 66 -4.946 -3.973 -14.035 1.00 0.00 C ATOM 1158 CD PRO A 66 -4.440 -3.178 -12.871 1.00 0.00 C ATOM 0 HA PRO A 66 -2.013 -4.064 -14.732 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -4.530 -2.679 -15.690 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -4.055 -4.346 -15.946 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -6.001 -3.772 -14.218 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -4.853 -5.043 -13.849 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -4.958 -2.223 -12.779 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -4.579 -3.708 -11.929 1.00 0.00 H new ATOM 1166 N GLY A 67 -0.883 -2.235 -15.789 1.00 0.00 N ATOM 1167 CA GLY A 67 -0.182 -1.168 -16.467 1.00 0.00 C ATOM 1168 C GLY A 67 1.202 -0.963 -15.899 1.00 0.00 C ATOM 1169 O GLY A 67 2.200 -1.102 -16.605 1.00 0.00 O ATOM 0 H GLY A 67 -0.365 -3.111 -15.722 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -0.109 -1.398 -17.530 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -0.753 -0.243 -16.379 1.00 0.00 H new ATOM 1173 N GLU A 68 1.262 -0.640 -14.615 1.00 0.00 N ATOM 1174 CA GLU A 68 2.538 -0.436 -13.944 1.00 0.00 C ATOM 1175 C GLU A 68 2.822 -1.594 -12.992 1.00 0.00 C ATOM 1176 O GLU A 68 3.859 -2.250 -13.113 1.00 0.00 O ATOM 1177 CB GLU A 68 2.537 0.905 -13.206 1.00 0.00 C ATOM 1178 CG GLU A 68 2.177 2.071 -14.116 1.00 0.00 C ATOM 1179 CD GLU A 68 2.564 3.422 -13.549 1.00 0.00 C ATOM 1180 OE1 GLU A 68 3.740 3.823 -13.703 1.00 0.00 O ATOM 1181 OE2 GLU A 68 1.691 4.102 -12.972 1.00 0.00 O ATOM 0 H GLU A 68 0.444 -0.514 -14.018 1.00 0.00 H new ATOM 0 HA GLU A 68 3.334 -0.410 -14.688 1.00 0.00 H new ATOM 0 HB2 GLU A 68 1.828 0.861 -12.380 1.00 0.00 H new ATOM 0 HB3 GLU A 68 3.522 1.078 -12.772 1.00 0.00 H new ATOM 0 HG2 GLU A 68 2.669 1.935 -15.079 1.00 0.00 H new ATOM 0 HG3 GLU A 68 1.103 2.058 -14.302 1.00 0.00 H new ATOM 1188 N GLN A 69 1.883 -1.840 -12.065 1.00 0.00 N ATOM 1189 CA GLN A 69 1.903 -3.002 -11.149 1.00 0.00 C ATOM 1190 C GLN A 69 3.275 -3.255 -10.506 1.00 0.00 C ATOM 1191 O GLN A 69 4.133 -2.369 -10.467 1.00 0.00 O ATOM 1192 CB GLN A 69 1.400 -4.267 -11.874 1.00 0.00 C ATOM 1193 CG GLN A 69 2.232 -4.681 -13.077 1.00 0.00 C ATOM 1194 CD GLN A 69 1.716 -5.920 -13.771 1.00 0.00 C ATOM 1195 OE1 GLN A 69 0.519 -6.203 -13.769 1.00 0.00 O ATOM 1196 NE2 GLN A 69 2.622 -6.659 -14.382 1.00 0.00 N ATOM 0 H GLN A 69 1.076 -1.232 -11.925 1.00 0.00 H new ATOM 0 HA GLN A 69 1.227 -2.758 -10.330 1.00 0.00 H new ATOM 0 HB2 GLN A 69 1.378 -5.093 -11.163 1.00 0.00 H new ATOM 0 HB3 GLN A 69 0.373 -4.099 -12.199 1.00 0.00 H new ATOM 0 HG2 GLN A 69 2.257 -3.858 -13.791 1.00 0.00 H new ATOM 0 HG3 GLN A 69 3.259 -4.856 -12.756 1.00 0.00 H new ATOM 0 HE21 GLN A 69 3.604 -6.385 -14.357 1.00 0.00 H new ATOM 0 HE22 GLN A 69 2.340 -7.504 -14.879 1.00 0.00 H new ATOM 1205 N HIS A 70 3.445 -4.466 -9.958 1.00 0.00 N ATOM 1206 CA HIS A 70 4.707 -4.890 -9.355 1.00 0.00 C ATOM 1207 C HIS A 70 4.978 -4.109 -8.066 1.00 0.00 C ATOM 1208 O HIS A 70 6.053 -3.544 -7.870 1.00 0.00 O ATOM 1209 CB HIS A 70 5.859 -4.735 -10.366 1.00 0.00 C ATOM 1210 CG HIS A 70 7.172 -5.303 -9.917 1.00 0.00 C ATOM 1211 ND1 HIS A 70 7.392 -6.650 -9.758 1.00 0.00 N ATOM 1212 CD2 HIS A 70 8.345 -4.697 -9.616 1.00 0.00 C ATOM 1213 CE1 HIS A 70 8.640 -6.850 -9.380 1.00 0.00 C ATOM 1214 NE2 HIS A 70 9.245 -5.680 -9.287 1.00 0.00 N ATOM 0 H HIS A 70 2.712 -5.174 -9.922 1.00 0.00 H new ATOM 0 HA HIS A 70 4.635 -5.945 -9.089 1.00 0.00 H new ATOM 0 HB2 HIS A 70 5.571 -5.218 -11.300 1.00 0.00 H new ATOM 0 HB3 HIS A 70 5.993 -3.675 -10.583 1.00 0.00 H new ATOM 0 HD2 HIS A 70 8.537 -3.634 -9.632 1.00 0.00 H new ATOM 0 HE1 HIS A 70 9.092 -7.810 -9.180 1.00 0.00 H new ATOM 0 HE2 HIS A 70 10.217 -5.532 -9.016 1.00 0.00 H new ATOM 1223 N PHE A 71 3.989 -4.086 -7.178 1.00 0.00 N ATOM 1224 CA PHE A 71 4.141 -3.406 -5.903 1.00 0.00 C ATOM 1225 C PHE A 71 3.922 -4.366 -4.743 1.00 0.00 C ATOM 1226 O PHE A 71 2.814 -4.831 -4.508 1.00 0.00 O ATOM 1227 CB PHE A 71 3.165 -2.232 -5.791 1.00 0.00 C ATOM 1228 CG PHE A 71 3.443 -1.108 -6.751 1.00 0.00 C ATOM 1229 CD1 PHE A 71 4.526 -0.265 -6.559 1.00 0.00 C ATOM 1230 CD2 PHE A 71 2.614 -0.889 -7.840 1.00 0.00 C ATOM 1231 CE1 PHE A 71 4.779 0.773 -7.434 1.00 0.00 C ATOM 1232 CE2 PHE A 71 2.863 0.148 -8.721 1.00 0.00 C ATOM 1233 CZ PHE A 71 3.948 0.980 -8.516 1.00 0.00 C ATOM 0 H PHE A 71 3.081 -4.528 -7.319 1.00 0.00 H new ATOM 0 HA PHE A 71 5.161 -3.024 -5.855 1.00 0.00 H new ATOM 0 HB2 PHE A 71 2.152 -2.598 -5.960 1.00 0.00 H new ATOM 0 HB3 PHE A 71 3.197 -1.843 -4.773 1.00 0.00 H new ATOM 0 HD1 PHE A 71 5.180 -0.422 -5.714 1.00 0.00 H new ATOM 0 HD2 PHE A 71 1.764 -1.535 -8.003 1.00 0.00 H new ATOM 0 HE1 PHE A 71 5.627 1.422 -7.272 1.00 0.00 H new ATOM 0 HE2 PHE A 71 2.211 0.307 -9.567 1.00 0.00 H new ATOM 0 HZ PHE A 71 4.145 1.791 -9.202 1.00 0.00 H new ATOM 1243 N TYR A 72 4.988 -4.653 -4.018 1.00 0.00 N ATOM 1244 CA TYR A 72 4.891 -5.446 -2.805 1.00 0.00 C ATOM 1245 C TYR A 72 4.979 -4.512 -1.607 1.00 0.00 C ATOM 1246 O TYR A 72 5.755 -3.552 -1.628 1.00 0.00 O ATOM 1247 CB TYR A 72 6.016 -6.488 -2.763 1.00 0.00 C ATOM 1248 CG TYR A 72 5.927 -7.467 -1.611 1.00 0.00 C ATOM 1249 CD1 TYR A 72 5.179 -8.630 -1.722 1.00 0.00 C ATOM 1250 CD2 TYR A 72 6.602 -7.234 -0.420 1.00 0.00 C ATOM 1251 CE1 TYR A 72 5.105 -9.536 -0.680 1.00 0.00 C ATOM 1252 CE2 TYR A 72 6.532 -8.132 0.628 1.00 0.00 C ATOM 1253 CZ TYR A 72 5.784 -9.282 0.494 1.00 0.00 C ATOM 1254 OH TYR A 72 5.718 -10.184 1.537 1.00 0.00 O ATOM 0 H TYR A 72 5.934 -4.348 -4.249 1.00 0.00 H new ATOM 0 HA TYR A 72 3.940 -5.979 -2.782 1.00 0.00 H new ATOM 0 HB2 TYR A 72 6.010 -7.047 -3.699 1.00 0.00 H new ATOM 0 HB3 TYR A 72 6.973 -5.968 -2.708 1.00 0.00 H new ATOM 0 HD1 TYR A 72 4.645 -8.831 -2.639 1.00 0.00 H new ATOM 0 HD2 TYR A 72 7.192 -6.336 -0.311 1.00 0.00 H new ATOM 0 HE1 TYR A 72 4.519 -10.437 -0.784 1.00 0.00 H new ATOM 0 HE2 TYR A 72 7.061 -7.934 1.548 1.00 0.00 H new ATOM 0 HH TYR A 72 6.253 -9.854 2.289 1.00 0.00 H new ATOM 1264 N MET A 73 4.166 -4.755 -0.594 1.00 0.00 N ATOM 1265 CA MET A 73 4.193 -3.942 0.613 1.00 0.00 C ATOM 1266 C MET A 73 4.126 -4.839 1.839 1.00 0.00 C ATOM 1267 O MET A 73 3.340 -5.782 1.888 1.00 0.00 O ATOM 1268 CB MET A 73 3.028 -2.931 0.603 1.00 0.00 C ATOM 1269 CG MET A 73 3.243 -1.790 -0.386 1.00 0.00 C ATOM 1270 SD MET A 73 1.744 -0.888 -0.837 1.00 0.00 S ATOM 1271 CE MET A 73 1.311 -0.057 0.689 1.00 0.00 C ATOM 0 H MET A 73 3.478 -5.508 -0.581 1.00 0.00 H new ATOM 0 HA MET A 73 5.126 -3.380 0.647 1.00 0.00 H new ATOM 0 HB2 MET A 73 2.103 -3.452 0.354 1.00 0.00 H new ATOM 0 HB3 MET A 73 2.902 -2.519 1.604 1.00 0.00 H new ATOM 0 HG2 MET A 73 3.959 -1.087 0.041 1.00 0.00 H new ATOM 0 HG3 MET A 73 3.694 -2.193 -1.292 1.00 0.00 H new ATOM 0 HE1 MET A 73 0.469 0.613 0.512 1.00 0.00 H new ATOM 0 HE2 MET A 73 1.035 -0.797 1.440 1.00 0.00 H new ATOM 0 HE3 MET A 73 2.165 0.520 1.044 1.00 0.00 H new ATOM 1281 N LYS A 74 4.953 -4.548 2.826 1.00 0.00 N ATOM 1282 CA LYS A 74 4.978 -5.339 4.043 1.00 0.00 C ATOM 1283 C LYS A 74 5.062 -4.425 5.252 1.00 0.00 C ATOM 1284 O LYS A 74 5.943 -3.573 5.338 1.00 0.00 O ATOM 1285 CB LYS A 74 6.156 -6.323 4.031 1.00 0.00 C ATOM 1286 CG LYS A 74 6.284 -7.148 5.304 1.00 0.00 C ATOM 1287 CD LYS A 74 7.572 -7.957 5.324 1.00 0.00 C ATOM 1288 CE LYS A 74 7.651 -8.849 6.554 1.00 0.00 C ATOM 1289 NZ LYS A 74 7.531 -8.075 7.819 1.00 0.00 N ATOM 0 H LYS A 74 5.615 -3.772 2.810 1.00 0.00 H new ATOM 0 HA LYS A 74 4.056 -5.918 4.100 1.00 0.00 H new ATOM 0 HB2 LYS A 74 6.044 -6.998 3.182 1.00 0.00 H new ATOM 0 HB3 LYS A 74 7.080 -5.766 3.876 1.00 0.00 H new ATOM 0 HG2 LYS A 74 6.256 -6.487 6.170 1.00 0.00 H new ATOM 0 HG3 LYS A 74 5.431 -7.821 5.389 1.00 0.00 H new ATOM 0 HD2 LYS A 74 7.632 -8.570 4.424 1.00 0.00 H new ATOM 0 HD3 LYS A 74 8.427 -7.282 5.307 1.00 0.00 H new ATOM 0 HE2 LYS A 74 6.858 -9.596 6.511 1.00 0.00 H new ATOM 0 HE3 LYS A 74 8.598 -9.389 6.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 8.207 -8.444 8.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 7.737 -7.073 7.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 6.564 -8.166 8.192 1.00 0.00 H new ATOM 1303 N ALA A 75 4.130 -4.591 6.170 1.00 0.00 N ATOM 1304 CA ALA A 75 4.074 -3.757 7.352 1.00 0.00 C ATOM 1305 C ALA A 75 5.013 -4.271 8.433 1.00 0.00 C ATOM 1306 O ALA A 75 5.531 -5.387 8.331 1.00 0.00 O ATOM 1307 CB ALA A 75 2.654 -3.686 7.873 1.00 0.00 C ATOM 0 H ALA A 75 3.398 -5.300 6.118 1.00 0.00 H new ATOM 0 HA ALA A 75 4.400 -2.754 7.077 1.00 0.00 H new ATOM 0 HB1 ALA A 75 2.624 -3.056 8.762 1.00 0.00 H new ATOM 0 HB2 ALA A 75 2.006 -3.262 7.106 1.00 0.00 H new ATOM 0 HB3 ALA A 75 2.309 -4.688 8.127 1.00 0.00 H new ATOM 1313 N VAL A 76 5.225 -3.458 9.462 1.00 0.00 N ATOM 1314 CA VAL A 76 6.123 -3.816 10.554 1.00 0.00 C ATOM 1315 C VAL A 76 5.722 -5.150 11.177 1.00 0.00 C ATOM 1316 O VAL A 76 6.513 -6.094 11.210 1.00 0.00 O ATOM 1317 CB VAL A 76 6.141 -2.729 11.650 1.00 0.00 C ATOM 1318 CG1 VAL A 76 7.065 -3.124 12.792 1.00 0.00 C ATOM 1319 CG2 VAL A 76 6.553 -1.386 11.064 1.00 0.00 C ATOM 0 H VAL A 76 4.785 -2.543 9.563 1.00 0.00 H new ATOM 0 HA VAL A 76 7.123 -3.903 10.128 1.00 0.00 H new ATOM 0 HB VAL A 76 5.132 -2.634 12.051 1.00 0.00 H new ATOM 0 HG11 VAL A 76 7.060 -2.342 13.551 1.00 0.00 H new ATOM 0 HG12 VAL A 76 6.720 -4.059 13.232 1.00 0.00 H new ATOM 0 HG13 VAL A 76 8.078 -3.254 12.412 1.00 0.00 H new ATOM 0 HG21 VAL A 76 6.560 -0.632 11.851 1.00 0.00 H new ATOM 0 HG22 VAL A 76 7.550 -1.468 10.632 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.844 -1.094 10.289 1.00 0.00 H new ATOM 1329 N ASN A 77 4.488 -5.228 11.646 1.00 0.00 N ATOM 1330 CA ASN A 77 3.986 -6.438 12.273 1.00 0.00 C ATOM 1331 C ASN A 77 2.571 -6.728 11.798 1.00 0.00 C ATOM 1332 O ASN A 77 2.033 -6.000 10.957 1.00 0.00 O ATOM 1333 CB ASN A 77 4.050 -6.340 13.808 1.00 0.00 C ATOM 1334 CG ASN A 77 3.206 -5.217 14.396 1.00 0.00 C ATOM 1335 OD1 ASN A 77 2.183 -4.831 13.845 1.00 0.00 O ATOM 1336 ND2 ASN A 77 3.631 -4.696 15.535 1.00 0.00 N ATOM 0 H ASN A 77 3.813 -4.464 11.604 1.00 0.00 H new ATOM 0 HA ASN A 77 4.625 -7.269 11.975 1.00 0.00 H new ATOM 0 HB2 ASN A 77 3.723 -7.288 14.236 1.00 0.00 H new ATOM 0 HB3 ASN A 77 5.088 -6.196 14.109 1.00 0.00 H new ATOM 0 HD21 ASN A 77 3.102 -3.948 15.983 1.00 0.00 H new ATOM 0 HD22 ASN A 77 4.488 -5.042 15.966 1.00 0.00 H new ATOM 1343 N ALA A 78 1.983 -7.797 12.309 1.00 0.00 N ATOM 1344 CA ALA A 78 0.662 -8.229 11.870 1.00 0.00 C ATOM 1345 C ALA A 78 -0.374 -7.124 12.088 1.00 0.00 C ATOM 1346 O ALA A 78 -1.228 -6.881 11.236 1.00 0.00 O ATOM 1347 CB ALA A 78 0.249 -9.487 12.616 1.00 0.00 C ATOM 0 H ALA A 78 2.400 -8.385 13.031 1.00 0.00 H new ATOM 0 HA ALA A 78 0.710 -8.447 10.803 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -0.739 -9.801 12.280 1.00 0.00 H new ATOM 0 HB2 ALA A 78 0.969 -10.281 12.417 1.00 0.00 H new ATOM 0 HB3 ALA A 78 0.221 -9.283 13.686 1.00 0.00 H new ATOM 1353 N ALA A 79 -0.278 -6.454 13.234 1.00 0.00 N ATOM 1354 CA ALA A 79 -1.186 -5.369 13.585 1.00 0.00 C ATOM 1355 C ALA A 79 -1.051 -4.193 12.623 1.00 0.00 C ATOM 1356 O ALA A 79 -2.046 -3.595 12.209 1.00 0.00 O ATOM 1357 CB ALA A 79 -0.909 -4.922 15.003 1.00 0.00 C ATOM 0 H ALA A 79 0.430 -6.648 13.942 1.00 0.00 H new ATOM 0 HA ALA A 79 -2.209 -5.737 13.509 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -1.587 -4.111 15.268 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -1.061 -5.759 15.685 1.00 0.00 H new ATOM 0 HB3 ALA A 79 0.121 -4.574 15.080 1.00 0.00 H new ATOM 1363 N GLU A 80 0.188 -3.871 12.273 1.00 0.00 N ATOM 1364 CA GLU A 80 0.472 -2.829 11.295 1.00 0.00 C ATOM 1365 C GLU A 80 -0.147 -3.195 9.955 1.00 0.00 C ATOM 1366 O GLU A 80 -0.700 -2.346 9.256 1.00 0.00 O ATOM 1367 CB GLU A 80 1.984 -2.646 11.149 1.00 0.00 C ATOM 1368 CG GLU A 80 2.646 -2.039 12.373 1.00 0.00 C ATOM 1369 CD GLU A 80 2.341 -0.566 12.528 1.00 0.00 C ATOM 1370 OE1 GLU A 80 1.179 -0.225 12.818 1.00 0.00 O ATOM 1371 OE2 GLU A 80 3.263 0.258 12.355 1.00 0.00 O ATOM 0 H GLU A 80 1.019 -4.321 12.656 1.00 0.00 H new ATOM 0 HA GLU A 80 0.038 -1.890 11.638 1.00 0.00 H new ATOM 0 HB2 GLU A 80 2.440 -3.614 10.943 1.00 0.00 H new ATOM 0 HB3 GLU A 80 2.183 -2.010 10.286 1.00 0.00 H new ATOM 0 HG2 GLU A 80 2.312 -2.571 13.264 1.00 0.00 H new ATOM 0 HG3 GLU A 80 3.725 -2.178 12.304 1.00 0.00 H new ATOM 1378 N ARG A 81 -0.060 -4.477 9.614 1.00 0.00 N ATOM 1379 CA ARG A 81 -0.703 -4.997 8.416 1.00 0.00 C ATOM 1380 C ARG A 81 -2.203 -4.757 8.490 1.00 0.00 C ATOM 1381 O ARG A 81 -2.816 -4.311 7.526 1.00 0.00 O ATOM 1382 CB ARG A 81 -0.445 -6.497 8.268 1.00 0.00 C ATOM 1383 CG ARG A 81 -1.069 -7.099 7.020 1.00 0.00 C ATOM 1384 CD ARG A 81 -1.350 -8.582 7.190 1.00 0.00 C ATOM 1385 NE ARG A 81 -1.408 -9.281 5.908 1.00 0.00 N ATOM 1386 CZ ARG A 81 -1.855 -10.529 5.757 1.00 0.00 C ATOM 1387 NH1 ARG A 81 -2.381 -11.192 6.790 1.00 0.00 N ATOM 1388 NH2 ARG A 81 -1.787 -11.110 4.563 1.00 0.00 N ATOM 0 H ARG A 81 0.452 -5.175 10.153 1.00 0.00 H new ATOM 0 HA ARG A 81 -0.285 -4.478 7.553 1.00 0.00 H new ATOM 0 HB2 ARG A 81 0.631 -6.672 8.248 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -0.836 -7.013 9.145 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -1.998 -6.577 6.790 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -0.401 -6.950 6.172 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -0.574 -9.029 7.811 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -2.295 -8.713 7.717 1.00 0.00 H new ATOM 0 HE ARG A 81 -1.087 -8.784 5.077 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -2.444 -10.745 7.704 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -2.720 -12.146 6.665 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -1.395 -10.602 3.770 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -2.127 -12.064 4.440 1.00 0.00 H new ATOM 1402 N GLN A 82 -2.776 -5.046 9.653 1.00 0.00 N ATOM 1403 CA GLN A 82 -4.207 -4.900 9.869 1.00 0.00 C ATOM 1404 C GLN A 82 -4.650 -3.454 9.668 1.00 0.00 C ATOM 1405 O GLN A 82 -5.739 -3.206 9.159 1.00 0.00 O ATOM 1406 CB GLN A 82 -4.584 -5.386 11.272 1.00 0.00 C ATOM 1407 CG GLN A 82 -6.070 -5.276 11.591 1.00 0.00 C ATOM 1408 CD GLN A 82 -6.940 -6.146 10.699 1.00 0.00 C ATOM 1409 OE1 GLN A 82 -7.219 -7.303 11.015 1.00 0.00 O ATOM 1410 NE2 GLN A 82 -7.382 -5.588 9.584 1.00 0.00 N ATOM 0 H GLN A 82 -2.264 -5.386 10.467 1.00 0.00 H new ATOM 0 HA GLN A 82 -4.725 -5.514 9.133 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -4.277 -6.426 11.379 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -4.022 -4.810 12.007 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -6.233 -5.556 12.632 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -6.381 -4.236 11.488 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -7.127 -4.626 9.359 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -7.978 -6.120 8.949 1.00 0.00 H new ATOM 1419 N ARG A 83 -3.805 -2.503 10.056 1.00 0.00 N ATOM 1420 CA ARG A 83 -4.120 -1.087 9.876 1.00 0.00 C ATOM 1421 C ARG A 83 -4.281 -0.756 8.395 1.00 0.00 C ATOM 1422 O ARG A 83 -5.257 -0.119 7.981 1.00 0.00 O ATOM 1423 CB ARG A 83 -3.010 -0.216 10.468 1.00 0.00 C ATOM 1424 CG ARG A 83 -2.983 -0.167 11.984 1.00 0.00 C ATOM 1425 CD ARG A 83 -1.813 0.664 12.475 1.00 0.00 C ATOM 1426 NE ARG A 83 -2.119 1.376 13.717 1.00 0.00 N ATOM 1427 CZ ARG A 83 -1.194 1.856 14.548 1.00 0.00 C ATOM 1428 NH1 ARG A 83 0.083 1.547 14.373 1.00 0.00 N ATOM 1429 NH2 ARG A 83 -1.554 2.618 15.576 1.00 0.00 N ATOM 0 H ARG A 83 -2.902 -2.684 10.495 1.00 0.00 H new ATOM 0 HA ARG A 83 -5.058 -0.882 10.393 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -2.048 -0.586 10.113 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -3.121 0.799 10.087 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -3.916 0.256 12.355 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -2.910 -1.178 12.384 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -0.951 0.016 12.633 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -1.533 1.384 11.706 1.00 0.00 H new ATOM 0 HE ARG A 83 -3.100 1.513 13.961 1.00 0.00 H new ATOM 0 HH11 ARG A 83 0.360 0.941 13.601 1.00 0.00 H new ATOM 0 HH12 ARG A 83 0.789 1.916 15.010 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -2.539 2.836 15.729 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -0.846 2.985 16.212 1.00 0.00 H new ATOM 1443 N TRP A 84 -3.339 -1.230 7.594 1.00 0.00 N ATOM 1444 CA TRP A 84 -3.401 -1.037 6.156 1.00 0.00 C ATOM 1445 C TRP A 84 -4.542 -1.845 5.568 1.00 0.00 C ATOM 1446 O TRP A 84 -5.204 -1.412 4.640 1.00 0.00 O ATOM 1447 CB TRP A 84 -2.071 -1.407 5.503 1.00 0.00 C ATOM 1448 CG TRP A 84 -1.003 -0.405 5.789 1.00 0.00 C ATOM 1449 CD1 TRP A 84 -0.022 -0.489 6.730 1.00 0.00 C ATOM 1450 CD2 TRP A 84 -0.823 0.849 5.130 1.00 0.00 C ATOM 1451 NE1 TRP A 84 0.747 0.647 6.709 1.00 0.00 N ATOM 1452 CE2 TRP A 84 0.277 1.482 5.731 1.00 0.00 C ATOM 1453 CE3 TRP A 84 -1.488 1.496 4.089 1.00 0.00 C ATOM 1454 CZ2 TRP A 84 0.722 2.737 5.332 1.00 0.00 C ATOM 1455 CZ3 TRP A 84 -1.043 2.738 3.688 1.00 0.00 C ATOM 1456 CH2 TRP A 84 0.054 3.347 4.308 1.00 0.00 C ATOM 0 H TRP A 84 -2.523 -1.751 7.917 1.00 0.00 H new ATOM 0 HA TRP A 84 -3.588 0.017 5.953 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -1.753 -2.386 5.861 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -2.209 -1.491 4.425 1.00 0.00 H new ATOM 0 HD1 TRP A 84 0.128 -1.327 7.395 1.00 0.00 H new ATOM 0 HE1 TRP A 84 1.540 0.838 7.322 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -2.336 1.033 3.606 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 1.564 3.212 5.813 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -1.549 3.249 2.882 1.00 0.00 H new ATOM 0 HH2 TRP A 84 0.379 4.320 3.970 1.00 0.00 H new ATOM 1467 N LEU A 85 -4.769 -3.015 6.139 1.00 0.00 N ATOM 1468 CA LEU A 85 -5.875 -3.876 5.743 1.00 0.00 C ATOM 1469 C LEU A 85 -7.221 -3.207 5.994 1.00 0.00 C ATOM 1470 O LEU A 85 -8.182 -3.466 5.282 1.00 0.00 O ATOM 1471 CB LEU A 85 -5.788 -5.224 6.454 1.00 0.00 C ATOM 1472 CG LEU A 85 -5.143 -6.346 5.640 1.00 0.00 C ATOM 1473 CD1 LEU A 85 -3.844 -5.877 4.997 1.00 0.00 C ATOM 1474 CD2 LEU A 85 -4.892 -7.547 6.534 1.00 0.00 C ATOM 0 H LEU A 85 -4.194 -3.397 6.890 1.00 0.00 H new ATOM 0 HA LEU A 85 -5.795 -4.051 4.670 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.223 -5.095 7.377 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -6.794 -5.534 6.737 1.00 0.00 H new ATOM 0 HG LEU A 85 -5.825 -6.633 4.840 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -3.406 -6.694 4.424 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.049 -5.037 4.333 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.146 -5.563 5.773 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -4.432 -8.345 5.951 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -4.225 -7.262 7.348 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -5.838 -7.898 6.946 1.00 0.00 H new ATOM 1486 N VAL A 86 -7.305 -2.374 7.022 1.00 0.00 N ATOM 1487 CA VAL A 86 -8.531 -1.641 7.283 1.00 0.00 C ATOM 1488 C VAL A 86 -8.842 -0.688 6.131 1.00 0.00 C ATOM 1489 O VAL A 86 -9.950 -0.707 5.597 1.00 0.00 O ATOM 1490 CB VAL A 86 -8.436 -0.843 8.600 1.00 0.00 C ATOM 1491 CG1 VAL A 86 -9.600 0.133 8.739 1.00 0.00 C ATOM 1492 CG2 VAL A 86 -8.385 -1.788 9.789 1.00 0.00 C ATOM 0 H VAL A 86 -6.548 -2.192 7.680 1.00 0.00 H new ATOM 0 HA VAL A 86 -9.336 -2.370 7.375 1.00 0.00 H new ATOM 0 HB VAL A 86 -7.514 -0.261 8.577 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -9.506 0.681 9.677 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -9.587 0.835 7.906 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -10.540 -0.419 8.734 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -8.318 -1.210 10.711 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -9.288 -2.398 9.808 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -7.512 -2.435 9.702 1.00 0.00 H new ATOM 1502 N ALA A 87 -7.865 0.130 5.747 1.00 0.00 N ATOM 1503 CA ALA A 87 -8.070 1.092 4.660 1.00 0.00 C ATOM 1504 C ALA A 87 -8.095 0.415 3.282 1.00 0.00 C ATOM 1505 O ALA A 87 -9.000 0.639 2.484 1.00 0.00 O ATOM 1506 CB ALA A 87 -6.995 2.172 4.698 1.00 0.00 C ATOM 0 H ALA A 87 -6.934 0.149 6.164 1.00 0.00 H new ATOM 0 HA ALA A 87 -9.047 1.550 4.814 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -7.160 2.879 3.885 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -7.041 2.698 5.651 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -6.013 1.712 4.585 1.00 0.00 H new ATOM 1512 N LEU A 88 -7.093 -0.414 3.017 1.00 0.00 N ATOM 1513 CA LEU A 88 -6.945 -1.085 1.727 1.00 0.00 C ATOM 1514 C LEU A 88 -7.963 -2.213 1.552 1.00 0.00 C ATOM 1515 O LEU A 88 -8.523 -2.398 0.474 1.00 0.00 O ATOM 1516 CB LEU A 88 -5.524 -1.640 1.593 1.00 0.00 C ATOM 1517 CG LEU A 88 -4.401 -0.597 1.640 1.00 0.00 C ATOM 1518 CD1 LEU A 88 -3.065 -1.269 1.919 1.00 0.00 C ATOM 1519 CD2 LEU A 88 -4.335 0.183 0.334 1.00 0.00 C ATOM 0 H LEU A 88 -6.359 -0.641 3.688 1.00 0.00 H new ATOM 0 HA LEU A 88 -7.130 -0.349 0.945 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -5.358 -2.363 2.392 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.452 -2.184 0.651 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.618 0.102 2.448 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.278 -0.515 1.949 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -3.110 -1.785 2.878 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.848 -1.989 1.130 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -3.532 0.917 0.389 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.143 -0.504 -0.491 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -5.283 0.694 0.167 1.00 0.00 H new ATOM 1531 N GLY A 89 -8.190 -2.966 2.621 1.00 0.00 N ATOM 1532 CA GLY A 89 -9.032 -4.147 2.548 1.00 0.00 C ATOM 1533 C GLY A 89 -10.480 -3.829 2.247 1.00 0.00 C ATOM 1534 O GLY A 89 -11.143 -4.581 1.532 1.00 0.00 O ATOM 0 H GLY A 89 -7.802 -2.778 3.546 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -8.645 -4.814 1.777 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -8.974 -4.686 3.494 1.00 0.00 H new ATOM 1538 N SER A 90 -10.972 -2.716 2.780 1.00 0.00 N ATOM 1539 CA SER A 90 -12.335 -2.290 2.507 1.00 0.00 C ATOM 1540 C SER A 90 -12.496 -1.972 1.028 1.00 0.00 C ATOM 1541 O SER A 90 -13.578 -2.108 0.465 1.00 0.00 O ATOM 1542 CB SER A 90 -12.684 -1.073 3.359 1.00 0.00 C ATOM 1543 OG SER A 90 -11.732 -0.040 3.188 1.00 0.00 O ATOM 0 H SER A 90 -10.449 -2.097 3.400 1.00 0.00 H new ATOM 0 HA SER A 90 -13.019 -3.099 2.763 1.00 0.00 H new ATOM 0 HB2 SER A 90 -13.674 -0.707 3.088 1.00 0.00 H new ATOM 0 HB3 SER A 90 -12.727 -1.361 4.409 1.00 0.00 H new ATOM 0 HG SER A 90 -11.057 -0.096 3.897 1.00 0.00 H new ATOM 1549 N SER A 91 -11.399 -1.559 0.407 1.00 0.00 N ATOM 1550 CA SER A 91 -11.379 -1.302 -1.017 1.00 0.00 C ATOM 1551 C SER A 91 -11.508 -2.605 -1.799 1.00 0.00 C ATOM 1552 O SER A 91 -12.316 -2.694 -2.712 1.00 0.00 O ATOM 1553 CB SER A 91 -10.096 -0.565 -1.398 1.00 0.00 C ATOM 1554 OG SER A 91 -9.983 0.652 -0.676 1.00 0.00 O ATOM 0 H SER A 91 -10.508 -1.395 0.876 1.00 0.00 H new ATOM 0 HA SER A 91 -12.230 -0.671 -1.272 1.00 0.00 H new ATOM 0 HB2 SER A 91 -9.233 -1.197 -1.192 1.00 0.00 H new ATOM 0 HB3 SER A 91 -10.093 -0.360 -2.469 1.00 0.00 H new ATOM 0 HG SER A 91 -9.067 0.993 -0.751 1.00 0.00 H new ATOM 1560 N LYS A 92 -10.731 -3.627 -1.427 1.00 0.00 N ATOM 1561 CA LYS A 92 -10.787 -4.905 -2.113 1.00 0.00 C ATOM 1562 C LYS A 92 -12.161 -5.554 -1.958 1.00 0.00 C ATOM 1563 O LYS A 92 -12.658 -6.228 -2.868 1.00 0.00 O ATOM 1564 CB LYS A 92 -9.686 -5.830 -1.584 1.00 0.00 C ATOM 1565 CG LYS A 92 -10.110 -7.287 -1.464 1.00 0.00 C ATOM 1566 CD LYS A 92 -8.978 -8.249 -1.781 1.00 0.00 C ATOM 1567 CE LYS A 92 -8.577 -8.169 -3.248 1.00 0.00 C ATOM 1568 NZ LYS A 92 -9.740 -8.383 -4.154 1.00 0.00 N ATOM 0 H LYS A 92 -10.062 -3.587 -0.658 1.00 0.00 H new ATOM 0 HA LYS A 92 -10.622 -4.734 -3.177 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -8.822 -5.766 -2.246 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -9.364 -5.473 -0.605 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -10.470 -7.475 -0.453 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -10.944 -7.476 -2.140 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -8.117 -8.020 -1.154 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -9.285 -9.267 -1.541 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -8.134 -7.194 -3.451 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -7.812 -8.917 -3.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -9.400 -8.541 -5.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -10.279 -9.214 -3.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -10.354 -7.544 -4.134 1.00 0.00 H new ATOM 1582 N ALA A 93 -12.764 -5.350 -0.801 1.00 0.00 N ATOM 1583 CA ALA A 93 -14.057 -5.916 -0.503 1.00 0.00 C ATOM 1584 C ALA A 93 -15.164 -5.184 -1.257 1.00 0.00 C ATOM 1585 O ALA A 93 -15.598 -4.109 -0.850 1.00 0.00 O ATOM 1586 CB ALA A 93 -14.294 -5.875 0.996 1.00 0.00 C ATOM 0 H ALA A 93 -12.369 -4.788 -0.047 1.00 0.00 H new ATOM 0 HA ALA A 93 -14.074 -6.954 -0.834 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -15.271 -6.303 1.222 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -13.520 -6.451 1.503 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -14.262 -4.842 1.341 1.00 0.00 H new ATOM 1592 N SER A 94 -15.596 -5.783 -2.367 1.00 0.00 N ATOM 1593 CA SER A 94 -16.698 -5.263 -3.177 1.00 0.00 C ATOM 1594 C SER A 94 -16.301 -3.981 -3.911 1.00 0.00 C ATOM 1595 O SER A 94 -17.055 -3.006 -3.940 1.00 0.00 O ATOM 1596 CB SER A 94 -17.934 -5.018 -2.309 1.00 0.00 C ATOM 1597 OG SER A 94 -18.177 -6.121 -1.448 1.00 0.00 O ATOM 0 H SER A 94 -15.190 -6.645 -2.731 1.00 0.00 H new ATOM 0 HA SER A 94 -16.938 -6.016 -3.928 1.00 0.00 H new ATOM 0 HB2 SER A 94 -17.794 -4.114 -1.717 1.00 0.00 H new ATOM 0 HB3 SER A 94 -18.803 -4.851 -2.946 1.00 0.00 H new ATOM 0 HG SER A 94 -18.971 -5.941 -0.902 1.00 0.00 H new ATOM 1603 N LEU A 95 -15.120 -3.999 -4.515 1.00 0.00 N ATOM 1604 CA LEU A 95 -14.619 -2.856 -5.268 1.00 0.00 C ATOM 1605 C LEU A 95 -15.348 -2.735 -6.613 1.00 0.00 C ATOM 1606 O LEU A 95 -16.237 -3.534 -6.924 1.00 0.00 O ATOM 1607 CB LEU A 95 -13.109 -3.011 -5.481 1.00 0.00 C ATOM 1608 CG LEU A 95 -12.363 -1.797 -6.046 1.00 0.00 C ATOM 1609 CD1 LEU A 95 -12.559 -0.571 -5.165 1.00 0.00 C ATOM 1610 CD2 LEU A 95 -10.887 -2.118 -6.184 1.00 0.00 C ATOM 0 H LEU A 95 -14.487 -4.799 -4.498 1.00 0.00 H new ATOM 0 HA LEU A 95 -14.807 -1.943 -4.703 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -12.656 -3.273 -4.525 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -12.945 -3.853 -6.153 1.00 0.00 H new ATOM 0 HG LEU A 95 -12.774 -1.569 -7.030 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -12.018 0.274 -5.591 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -13.621 -0.330 -5.107 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -12.179 -0.777 -4.164 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -10.362 -1.251 -6.586 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -10.476 -2.369 -5.206 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -10.760 -2.964 -6.859 1.00 0.00 H new ATOM 1622 N THR A 96 -14.967 -1.745 -7.406 1.00 0.00 N ATOM 1623 CA THR A 96 -15.570 -1.509 -8.708 1.00 0.00 C ATOM 1624 C THR A 96 -15.281 -2.634 -9.699 1.00 0.00 C ATOM 1625 O THR A 96 -14.707 -3.670 -9.350 1.00 0.00 O ATOM 1626 CB THR A 96 -15.075 -0.171 -9.283 1.00 0.00 C ATOM 1627 OG1 THR A 96 -13.685 0.006 -8.969 1.00 0.00 O ATOM 1628 CG2 THR A 96 -15.877 0.992 -8.717 1.00 0.00 C ATOM 0 H THR A 96 -14.230 -1.082 -7.164 1.00 0.00 H new ATOM 0 HA THR A 96 -16.649 -1.475 -8.559 1.00 0.00 H new ATOM 0 HB THR A 96 -15.209 -0.191 -10.365 1.00 0.00 H new ATOM 0 HG1 THR A 96 -13.256 0.537 -9.672 1.00 0.00 H new ATOM 0 HG21 THR A 96 -15.509 1.927 -9.138 1.00 0.00 H new ATOM 0 HG22 THR A 96 -16.929 0.868 -8.974 1.00 0.00 H new ATOM 0 HG23 THR A 96 -15.769 1.015 -7.633 1.00 0.00 H new ATOM 1636 N ASP A 97 -15.714 -2.426 -10.930 1.00 0.00 N ATOM 1637 CA ASP A 97 -15.507 -3.383 -12.006 1.00 0.00 C ATOM 1638 C ASP A 97 -14.029 -3.551 -12.341 1.00 0.00 C ATOM 1639 O ASP A 97 -13.164 -2.863 -11.794 1.00 0.00 O ATOM 1640 CB ASP A 97 -16.267 -2.947 -13.265 1.00 0.00 C ATOM 1641 CG ASP A 97 -17.772 -3.016 -13.108 1.00 0.00 C ATOM 1642 OD1 ASP A 97 -18.371 -2.036 -12.609 1.00 0.00 O ATOM 1643 OD2 ASP A 97 -18.369 -4.041 -13.498 1.00 0.00 O ATOM 0 H ASP A 97 -16.220 -1.587 -11.214 1.00 0.00 H new ATOM 0 HA ASP A 97 -15.890 -4.343 -11.659 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -15.981 -1.926 -13.519 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -15.966 -3.579 -14.100 1.00 0.00 H new ATOM 1648 N THR A 98 -13.772 -4.494 -13.240 1.00 0.00 N ATOM 1649 CA THR A 98 -12.439 -4.770 -13.779 1.00 0.00 C ATOM 1650 C THR A 98 -11.420 -5.091 -12.686 1.00 0.00 C ATOM 1651 O THR A 98 -10.342 -4.500 -12.627 1.00 0.00 O ATOM 1652 CB THR A 98 -11.914 -3.628 -14.690 1.00 0.00 C ATOM 1653 OG1 THR A 98 -11.960 -2.357 -14.024 1.00 0.00 O ATOM 1654 CG2 THR A 98 -12.726 -3.554 -15.975 1.00 0.00 C ATOM 0 H THR A 98 -14.496 -5.101 -13.624 1.00 0.00 H new ATOM 0 HA THR A 98 -12.557 -5.660 -14.397 1.00 0.00 H new ATOM 0 HB THR A 98 -10.875 -3.856 -14.927 1.00 0.00 H new ATOM 0 HG1 THR A 98 -12.023 -2.497 -13.056 1.00 0.00 H new ATOM 0 HG21 THR A 98 -12.344 -2.748 -16.601 1.00 0.00 H new ATOM 0 HG22 THR A 98 -12.645 -4.499 -16.511 1.00 0.00 H new ATOM 0 HG23 THR A 98 -13.772 -3.362 -15.734 1.00 0.00 H new ATOM 1662 N ARG A 99 -11.768 -6.040 -11.830 1.00 0.00 N ATOM 1663 CA ARG A 99 -10.849 -6.531 -10.816 1.00 0.00 C ATOM 1664 C ARG A 99 -10.207 -7.828 -11.281 1.00 0.00 C ATOM 1665 O ARG A 99 -10.880 -8.846 -11.431 1.00 0.00 O ATOM 1666 CB ARG A 99 -11.569 -6.740 -9.487 1.00 0.00 C ATOM 1667 CG ARG A 99 -11.723 -5.468 -8.676 1.00 0.00 C ATOM 1668 CD ARG A 99 -12.548 -5.704 -7.420 1.00 0.00 C ATOM 1669 NE ARG A 99 -13.981 -5.758 -7.705 1.00 0.00 N ATOM 1670 CZ ARG A 99 -14.799 -6.716 -7.279 1.00 0.00 C ATOM 1671 NH1 ARG A 99 -14.327 -7.768 -6.624 1.00 0.00 N ATOM 1672 NH2 ARG A 99 -16.095 -6.632 -7.526 1.00 0.00 N ATOM 0 H ARG A 99 -12.685 -6.487 -11.818 1.00 0.00 H new ATOM 0 HA ARG A 99 -10.069 -5.785 -10.665 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -12.556 -7.160 -9.680 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -11.020 -7.474 -8.897 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -10.739 -5.090 -8.400 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -12.200 -4.701 -9.287 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -12.236 -6.638 -6.952 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -12.351 -4.907 -6.703 1.00 0.00 H new ATOM 0 HE ARG A 99 -14.381 -5.009 -8.270 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -13.327 -7.849 -6.442 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -14.964 -8.496 -6.302 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -16.465 -5.834 -8.042 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -16.725 -7.365 -7.200 1.00 0.00 H new ATOM 1686 N THR A 100 -8.910 -7.777 -11.528 1.00 0.00 N ATOM 1687 CA THR A 100 -8.181 -8.928 -12.028 1.00 0.00 C ATOM 1688 C THR A 100 -7.856 -9.909 -10.900 1.00 0.00 C ATOM 1689 O THR A 100 -8.545 -10.951 -10.803 1.00 0.00 O ATOM 1690 CB THR A 100 -6.888 -8.483 -12.738 1.00 0.00 C ATOM 1691 OG1 THR A 100 -7.206 -7.494 -13.729 1.00 0.00 O ATOM 1692 CG2 THR A 100 -6.193 -9.662 -13.405 1.00 0.00 C ATOM 1693 OXT THR A 100 -6.931 -9.629 -10.112 1.00 0.00 O ATOM 0 H THR A 100 -8.337 -6.945 -11.389 1.00 0.00 H new ATOM 0 HA THR A 100 -8.819 -9.440 -12.749 1.00 0.00 H new ATOM 0 HB THR A 100 -6.213 -8.065 -11.992 1.00 0.00 H new ATOM 0 HG1 THR A 100 -6.385 -7.208 -14.181 1.00 0.00 H new ATOM 0 HG21 THR A 100 -5.284 -9.317 -13.898 1.00 0.00 H new ATOM 0 HG22 THR A 100 -5.937 -10.407 -12.652 1.00 0.00 H new ATOM 0 HG23 THR A 100 -6.860 -10.107 -14.144 1.00 0.00 H new TER 1701 THR A 100