USER MOD reduce.3.24.130724 H: found=0, std=0, add=563, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 563 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 22 THR OG1 : rot 180:sc= 0.0171 USER MOD Set 1.2: A 25 ASN : amide:sc= -2.4! K(o=-2.4!,f=0.24) USER MOD Set 2.1: A 7 THR OG1 : rot -80:sc= 1.66 USER MOD Set 2.2: A 9 THR OG1 : rot -86:sc= 1.09 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 152:sc= -0.0319 (180deg=-0.366) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -101:sc= 0.00955 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -145:sc= -0.705 (180deg=-2.01) USER MOD Single : A 29 LYS NZ :NH3+ 143:sc= 0.244 (180deg=-0.0345) USER MOD Single : A 31 GLN : amide:sc= -1.03 X(o=-1,f=-1.3) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.738 K(o=-0.74,f=0) USER MOD Single : A 41 GLN : amide:sc= -8.26! C(o=-8.3!,f=-7.5!) USER MOD Single : A 48 LYS NZ :NH3+ -127:sc= -1.24 (180deg=-3.01!) USER MOD Single : A 49 GLN : amide:sc= -2.53 K(o=-2.5,f=-11!) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.52 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 165:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.385 K(o=-0.39,f=0.34) USER MOD Single : A 62 GLN : amide:sc= -0.0288 K(o=-0.029,f=-1.7!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -160:sc= -0.605 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.00067) USER MOD ----------------------------------------------------------------- ATOM 37 N ILE A 3 75.303 -12.605 2.587 1.00 0.00 N ATOM 38 CA ILE A 3 74.395 -12.422 1.457 1.00 0.00 C ATOM 39 C ILE A 3 75.009 -11.451 0.454 1.00 0.00 C ATOM 40 O ILE A 3 76.051 -10.854 0.719 1.00 0.00 O ATOM 41 CB ILE A 3 73.066 -11.842 1.945 1.00 0.00 C ATOM 42 CG1 ILE A 3 73.336 -10.652 2.867 1.00 0.00 C ATOM 43 CG2 ILE A 3 72.278 -12.904 2.709 1.00 0.00 C ATOM 44 CD1 ILE A 3 72.182 -9.655 2.754 1.00 0.00 C ATOM 0 HA ILE A 3 74.226 -13.390 0.985 1.00 0.00 H new ATOM 0 HB ILE A 3 72.484 -11.516 1.083 1.00 0.00 H new ATOM 0 HG12 ILE A 3 73.439 -10.992 3.898 1.00 0.00 H new ATOM 0 HG13 ILE A 3 74.275 -10.171 2.594 1.00 0.00 H new ATOM 0 HG21 ILE A 3 71.334 -12.480 3.052 1.00 0.00 H new ATOM 0 HG22 ILE A 3 72.079 -13.751 2.053 1.00 0.00 H new ATOM 0 HG23 ILE A 3 72.858 -13.240 3.569 1.00 0.00 H new ATOM 0 HD11 ILE A 3 72.370 -8.805 3.410 1.00 0.00 H new ATOM 0 HD12 ILE A 3 72.101 -9.308 1.724 1.00 0.00 H new ATOM 0 HD13 ILE A 3 71.251 -10.141 3.048 1.00 0.00 H new ATOM 56 N PHE A 4 74.361 -11.303 -0.697 1.00 0.00 N ATOM 57 CA PHE A 4 74.859 -10.410 -1.738 1.00 0.00 C ATOM 58 C PHE A 4 73.870 -9.279 -2.008 1.00 0.00 C ATOM 59 O PHE A 4 72.664 -9.500 -2.050 1.00 0.00 O ATOM 60 CB PHE A 4 75.078 -11.202 -3.028 1.00 0.00 C ATOM 61 CG PHE A 4 76.144 -12.249 -2.804 1.00 0.00 C ATOM 62 CD1 PHE A 4 77.498 -11.898 -2.852 1.00 0.00 C ATOM 63 CD2 PHE A 4 75.772 -13.573 -2.543 1.00 0.00 C ATOM 64 CE1 PHE A 4 78.481 -12.872 -2.640 1.00 0.00 C ATOM 65 CE2 PHE A 4 76.755 -14.547 -2.331 1.00 0.00 C ATOM 66 CZ PHE A 4 78.110 -14.197 -2.379 1.00 0.00 C ATOM 0 H PHE A 4 73.494 -11.787 -0.932 1.00 0.00 H new ATOM 0 HA PHE A 4 75.800 -9.978 -1.397 1.00 0.00 H new ATOM 0 HB2 PHE A 4 74.147 -11.677 -3.338 1.00 0.00 H new ATOM 0 HB3 PHE A 4 75.377 -10.530 -3.833 1.00 0.00 H new ATOM 0 HD1 PHE A 4 77.784 -10.876 -3.053 1.00 0.00 H new ATOM 0 HD2 PHE A 4 74.727 -13.843 -2.505 1.00 0.00 H new ATOM 0 HE1 PHE A 4 79.526 -12.601 -2.678 1.00 0.00 H new ATOM 0 HE2 PHE A 4 76.468 -15.569 -2.130 1.00 0.00 H new ATOM 0 HZ PHE A 4 78.868 -14.948 -2.215 1.00 0.00 H new ATOM 76 N VAL A 5 74.394 -8.072 -2.200 1.00 0.00 N ATOM 77 CA VAL A 5 73.554 -6.911 -2.488 1.00 0.00 C ATOM 78 C VAL A 5 74.012 -6.250 -3.783 1.00 0.00 C ATOM 79 O VAL A 5 75.120 -5.724 -3.859 1.00 0.00 O ATOM 80 CB VAL A 5 73.626 -5.903 -1.338 1.00 0.00 C ATOM 81 CG1 VAL A 5 73.005 -4.577 -1.782 1.00 0.00 C ATOM 82 CG2 VAL A 5 72.852 -6.447 -0.133 1.00 0.00 C ATOM 0 H VAL A 5 75.393 -7.871 -2.162 1.00 0.00 H new ATOM 0 HA VAL A 5 72.522 -7.244 -2.598 1.00 0.00 H new ATOM 0 HB VAL A 5 74.668 -5.743 -1.061 1.00 0.00 H new ATOM 0 HG11 VAL A 5 73.056 -3.859 -0.963 1.00 0.00 H new ATOM 0 HG12 VAL A 5 73.553 -4.188 -2.640 1.00 0.00 H new ATOM 0 HG13 VAL A 5 71.963 -4.738 -2.059 1.00 0.00 H new ATOM 0 HG21 VAL A 5 72.903 -5.730 0.686 1.00 0.00 H new ATOM 0 HG22 VAL A 5 71.810 -6.606 -0.411 1.00 0.00 H new ATOM 0 HG23 VAL A 5 73.291 -7.393 0.185 1.00 0.00 H new ATOM 92 N LYS A 6 73.162 -6.285 -4.803 1.00 0.00 N ATOM 93 CA LYS A 6 73.510 -5.691 -6.091 1.00 0.00 C ATOM 94 C LYS A 6 72.885 -4.309 -6.244 1.00 0.00 C ATOM 95 O LYS A 6 71.708 -4.111 -5.943 1.00 0.00 O ATOM 96 CB LYS A 6 73.033 -6.595 -7.228 1.00 0.00 C ATOM 97 CG LYS A 6 73.743 -7.949 -7.137 1.00 0.00 C ATOM 98 CD LYS A 6 73.608 -8.689 -8.468 1.00 0.00 C ATOM 99 CE LYS A 6 72.150 -8.652 -8.930 1.00 0.00 C ATOM 100 NZ LYS A 6 71.930 -9.699 -9.967 1.00 0.00 N ATOM 0 H LYS A 6 72.237 -6.713 -4.766 1.00 0.00 H new ATOM 0 HA LYS A 6 74.594 -5.588 -6.134 1.00 0.00 H new ATOM 0 HB2 LYS A 6 71.954 -6.734 -7.168 1.00 0.00 H new ATOM 0 HB3 LYS A 6 73.241 -6.127 -8.190 1.00 0.00 H new ATOM 0 HG2 LYS A 6 74.796 -7.803 -6.895 1.00 0.00 H new ATOM 0 HG3 LYS A 6 73.311 -8.544 -6.333 1.00 0.00 H new ATOM 0 HD2 LYS A 6 74.250 -8.228 -9.219 1.00 0.00 H new ATOM 0 HD3 LYS A 6 73.939 -9.722 -8.357 1.00 0.00 H new ATOM 0 HE2 LYS A 6 71.485 -8.819 -8.083 1.00 0.00 H new ATOM 0 HE3 LYS A 6 71.911 -7.669 -9.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 70.939 -9.674 -10.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 72.555 -9.520 -10.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 72.142 -10.635 -9.566 1.00 0.00 H new ATOM 114 N THR A 7 73.683 -3.359 -6.724 1.00 0.00 N ATOM 115 CA THR A 7 73.204 -1.996 -6.925 1.00 0.00 C ATOM 116 C THR A 7 72.982 -1.724 -8.409 1.00 0.00 C ATOM 117 O THR A 7 73.245 -2.582 -9.253 1.00 0.00 O ATOM 118 CB THR A 7 74.219 -0.996 -6.367 1.00 0.00 C ATOM 119 OG1 THR A 7 75.209 -0.733 -7.351 1.00 0.00 O ATOM 120 CG2 THR A 7 74.881 -1.578 -5.117 1.00 0.00 C ATOM 0 H THR A 7 74.659 -3.507 -6.980 1.00 0.00 H new ATOM 0 HA THR A 7 72.257 -1.881 -6.398 1.00 0.00 H new ATOM 0 HB THR A 7 73.709 -0.069 -6.105 1.00 0.00 H new ATOM 0 HG1 THR A 7 75.866 -1.460 -7.357 1.00 0.00 H new ATOM 0 HG21 THR A 7 75.603 -0.864 -4.722 1.00 0.00 H new ATOM 0 HG22 THR A 7 74.120 -1.780 -4.363 1.00 0.00 H new ATOM 0 HG23 THR A 7 75.392 -2.506 -5.374 1.00 0.00 H new ATOM 128 N LEU A 8 72.500 -0.527 -8.724 1.00 0.00 N ATOM 129 CA LEU A 8 72.249 -0.156 -10.111 1.00 0.00 C ATOM 130 C LEU A 8 73.564 0.039 -10.860 1.00 0.00 C ATOM 131 O LEU A 8 73.573 0.234 -12.077 1.00 0.00 O ATOM 132 CB LEU A 8 71.432 1.136 -10.167 1.00 0.00 C ATOM 133 CG LEU A 8 70.088 0.922 -9.470 1.00 0.00 C ATOM 134 CD1 LEU A 8 69.783 2.121 -8.571 1.00 0.00 C ATOM 135 CD2 LEU A 8 68.986 0.781 -10.520 1.00 0.00 C ATOM 0 H LEU A 8 72.277 0.198 -8.043 1.00 0.00 H new ATOM 0 HA LEU A 8 71.689 -0.961 -10.587 1.00 0.00 H new ATOM 0 HB2 LEU A 8 71.979 1.946 -9.684 1.00 0.00 H new ATOM 0 HB3 LEU A 8 71.273 1.433 -11.204 1.00 0.00 H new ATOM 0 HG LEU A 8 70.133 0.016 -8.866 1.00 0.00 H new ATOM 0 HD11 LEU A 8 68.825 1.969 -8.074 1.00 0.00 H new ATOM 0 HD12 LEU A 8 70.568 2.223 -7.822 1.00 0.00 H new ATOM 0 HD13 LEU A 8 69.738 3.027 -9.175 1.00 0.00 H new ATOM 0 HD21 LEU A 8 68.028 0.628 -10.023 1.00 0.00 H new ATOM 0 HD22 LEU A 8 68.941 1.687 -11.124 1.00 0.00 H new ATOM 0 HD23 LEU A 8 69.202 -0.073 -11.162 1.00 0.00 H new ATOM 147 N THR A 9 74.670 -0.013 -10.128 1.00 0.00 N ATOM 148 CA THR A 9 75.986 0.161 -10.735 1.00 0.00 C ATOM 149 C THR A 9 76.590 -1.189 -11.105 1.00 0.00 C ATOM 150 O THR A 9 77.552 -1.260 -11.869 1.00 0.00 O ATOM 151 CB THR A 9 76.917 0.889 -9.764 1.00 0.00 C ATOM 152 OG1 THR A 9 77.288 0.006 -8.716 1.00 0.00 O ATOM 153 CG2 THR A 9 76.196 2.104 -9.178 1.00 0.00 C ATOM 0 H THR A 9 74.684 -0.173 -9.121 1.00 0.00 H new ATOM 0 HA THR A 9 75.870 0.754 -11.642 1.00 0.00 H new ATOM 0 HB THR A 9 77.810 1.220 -10.294 1.00 0.00 H new ATOM 0 HG1 THR A 9 76.613 0.039 -8.006 1.00 0.00 H new ATOM 0 HG21 THR A 9 76.860 2.622 -8.486 1.00 0.00 H new ATOM 0 HG22 THR A 9 75.911 2.781 -9.983 1.00 0.00 H new ATOM 0 HG23 THR A 9 75.303 1.776 -8.646 1.00 0.00 H new ATOM 161 N GLY A 10 76.019 -2.258 -10.558 1.00 0.00 N ATOM 162 CA GLY A 10 76.511 -3.600 -10.838 1.00 0.00 C ATOM 163 C GLY A 10 77.425 -4.089 -9.720 1.00 0.00 C ATOM 164 O GLY A 10 77.849 -5.245 -9.711 1.00 0.00 O ATOM 0 H GLY A 10 75.221 -2.221 -9.923 1.00 0.00 H new ATOM 0 HA2 GLY A 10 75.670 -4.284 -10.951 1.00 0.00 H new ATOM 0 HA3 GLY A 10 77.053 -3.603 -11.784 1.00 0.00 H new ATOM 168 N LYS A 11 77.726 -3.200 -8.779 1.00 0.00 N ATOM 169 CA LYS A 11 78.592 -3.552 -7.659 1.00 0.00 C ATOM 170 C LYS A 11 77.859 -4.468 -6.684 1.00 0.00 C ATOM 171 O LYS A 11 76.745 -4.167 -6.255 1.00 0.00 O ATOM 172 CB LYS A 11 79.042 -2.286 -6.929 1.00 0.00 C ATOM 173 CG LYS A 11 80.532 -2.389 -6.597 1.00 0.00 C ATOM 174 CD LYS A 11 80.959 -1.172 -5.774 1.00 0.00 C ATOM 175 CE LYS A 11 81.516 -1.634 -4.427 1.00 0.00 C ATOM 176 NZ LYS A 11 82.737 -2.457 -4.652 1.00 0.00 N ATOM 0 H LYS A 11 77.386 -2.238 -8.769 1.00 0.00 H new ATOM 0 HA LYS A 11 79.464 -4.076 -8.049 1.00 0.00 H new ATOM 0 HB2 LYS A 11 78.857 -1.410 -7.551 1.00 0.00 H new ATOM 0 HB3 LYS A 11 78.463 -2.156 -6.015 1.00 0.00 H new ATOM 0 HG2 LYS A 11 80.728 -3.305 -6.040 1.00 0.00 H new ATOM 0 HG3 LYS A 11 81.117 -2.443 -7.515 1.00 0.00 H new ATOM 0 HD2 LYS A 11 81.714 -0.601 -6.315 1.00 0.00 H new ATOM 0 HD3 LYS A 11 80.108 -0.508 -5.619 1.00 0.00 H new ATOM 0 HE2 LYS A 11 81.755 -0.772 -3.805 1.00 0.00 H new ATOM 0 HE3 LYS A 11 80.766 -2.216 -3.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 83.366 -2.378 -3.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 82.465 -3.452 -4.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 83.234 -2.116 -5.500 1.00 0.00 H new ATOM 190 N THR A 12 78.491 -5.585 -6.339 1.00 0.00 N ATOM 191 CA THR A 12 77.891 -6.539 -5.413 1.00 0.00 C ATOM 192 C THR A 12 78.536 -6.430 -4.035 1.00 0.00 C ATOM 193 O THR A 12 79.712 -6.754 -3.866 1.00 0.00 O ATOM 194 CB THR A 12 78.063 -7.964 -5.946 1.00 0.00 C ATOM 195 OG1 THR A 12 77.642 -8.014 -7.302 1.00 0.00 O ATOM 196 CG2 THR A 12 77.218 -8.929 -5.111 1.00 0.00 C ATOM 0 H THR A 12 79.413 -5.851 -6.684 1.00 0.00 H new ATOM 0 HA THR A 12 76.829 -6.309 -5.324 1.00 0.00 H new ATOM 0 HB THR A 12 79.112 -8.253 -5.880 1.00 0.00 H new ATOM 0 HG1 THR A 12 77.753 -8.925 -7.646 1.00 0.00 H new ATOM 0 HG21 THR A 12 77.341 -9.943 -5.491 1.00 0.00 H new ATOM 0 HG22 THR A 12 77.542 -8.890 -4.071 1.00 0.00 H new ATOM 0 HG23 THR A 12 76.168 -8.642 -5.175 1.00 0.00 H new ATOM 204 N ILE A 13 77.763 -5.979 -3.050 1.00 0.00 N ATOM 205 CA ILE A 13 78.283 -5.844 -1.694 1.00 0.00 C ATOM 206 C ILE A 13 77.985 -7.098 -0.881 1.00 0.00 C ATOM 207 O ILE A 13 76.828 -7.494 -0.731 1.00 0.00 O ATOM 208 CB ILE A 13 77.654 -4.634 -0.994 1.00 0.00 C ATOM 209 CG1 ILE A 13 76.984 -3.727 -2.030 1.00 0.00 C ATOM 210 CG2 ILE A 13 78.740 -3.848 -0.251 1.00 0.00 C ATOM 211 CD1 ILE A 13 76.632 -2.386 -1.385 1.00 0.00 C ATOM 0 H ILE A 13 76.787 -5.704 -3.163 1.00 0.00 H new ATOM 0 HA ILE A 13 79.362 -5.703 -1.762 1.00 0.00 H new ATOM 0 HB ILE A 13 76.905 -4.981 -0.282 1.00 0.00 H new ATOM 0 HG12 ILE A 13 77.652 -3.571 -2.877 1.00 0.00 H new ATOM 0 HG13 ILE A 13 76.083 -4.203 -2.417 1.00 0.00 H new ATOM 0 HG21 ILE A 13 78.291 -2.988 0.246 1.00 0.00 H new ATOM 0 HG22 ILE A 13 79.211 -4.492 0.492 1.00 0.00 H new ATOM 0 HG23 ILE A 13 79.491 -3.505 -0.962 1.00 0.00 H new ATOM 0 HD11 ILE A 13 76.155 -1.741 -2.123 1.00 0.00 H new ATOM 0 HD12 ILE A 13 75.949 -2.551 -0.552 1.00 0.00 H new ATOM 0 HD13 ILE A 13 77.541 -1.908 -1.019 1.00 0.00 H new ATOM 223 N THR A 14 79.034 -7.713 -0.348 1.00 0.00 N ATOM 224 CA THR A 14 78.873 -8.917 0.461 1.00 0.00 C ATOM 225 C THR A 14 78.971 -8.561 1.941 1.00 0.00 C ATOM 226 O THR A 14 79.913 -7.891 2.362 1.00 0.00 O ATOM 227 CB THR A 14 79.959 -9.934 0.102 1.00 0.00 C ATOM 228 OG1 THR A 14 80.186 -9.907 -1.300 1.00 0.00 O ATOM 229 CG2 THR A 14 79.512 -11.333 0.522 1.00 0.00 C ATOM 0 H THR A 14 79.999 -7.402 -0.460 1.00 0.00 H new ATOM 0 HA THR A 14 77.894 -9.353 0.260 1.00 0.00 H new ATOM 0 HB THR A 14 80.881 -9.680 0.625 1.00 0.00 H new ATOM 0 HG1 THR A 14 79.726 -10.663 -1.721 1.00 0.00 H new ATOM 0 HG21 THR A 14 80.287 -12.055 0.265 1.00 0.00 H new ATOM 0 HG22 THR A 14 79.340 -11.352 1.598 1.00 0.00 H new ATOM 0 HG23 THR A 14 78.589 -11.591 0.003 1.00 0.00 H new ATOM 237 N LEU A 15 77.992 -9.003 2.727 1.00 0.00 N ATOM 238 CA LEU A 15 77.989 -8.703 4.157 1.00 0.00 C ATOM 239 C LEU A 15 77.434 -9.875 4.959 1.00 0.00 C ATOM 240 O LEU A 15 76.734 -10.736 4.424 1.00 0.00 O ATOM 241 CB LEU A 15 77.126 -7.463 4.459 1.00 0.00 C ATOM 242 CG LEU A 15 77.140 -6.462 3.293 1.00 0.00 C ATOM 243 CD1 LEU A 15 76.043 -5.419 3.517 1.00 0.00 C ATOM 244 CD2 LEU A 15 78.498 -5.757 3.231 1.00 0.00 C ATOM 0 H LEU A 15 77.202 -9.562 2.405 1.00 0.00 H new ATOM 0 HA LEU A 15 79.023 -8.513 4.445 1.00 0.00 H new ATOM 0 HB2 LEU A 15 76.101 -7.774 4.659 1.00 0.00 H new ATOM 0 HB3 LEU A 15 77.494 -6.975 5.362 1.00 0.00 H new ATOM 0 HG LEU A 15 76.966 -6.993 2.357 1.00 0.00 H new ATOM 0 HD11 LEU A 15 76.046 -4.705 2.694 1.00 0.00 H new ATOM 0 HD12 LEU A 15 75.073 -5.915 3.563 1.00 0.00 H new ATOM 0 HD13 LEU A 15 76.227 -4.893 4.454 1.00 0.00 H new ATOM 0 HD21 LEU A 15 78.503 -5.048 2.403 1.00 0.00 H new ATOM 0 HD22 LEU A 15 78.674 -5.224 4.165 1.00 0.00 H new ATOM 0 HD23 LEU A 15 79.285 -6.496 3.081 1.00 0.00 H new ATOM 256 N GLU A 16 77.729 -9.881 6.257 1.00 0.00 N ATOM 257 CA GLU A 16 77.232 -10.926 7.144 1.00 0.00 C ATOM 258 C GLU A 16 75.962 -10.434 7.825 1.00 0.00 C ATOM 259 O GLU A 16 75.941 -9.339 8.386 1.00 0.00 O ATOM 260 CB GLU A 16 78.286 -11.273 8.199 1.00 0.00 C ATOM 261 CG GLU A 16 78.601 -10.032 9.037 1.00 0.00 C ATOM 262 CD GLU A 16 80.021 -10.120 9.581 1.00 0.00 C ATOM 263 OE1 GLU A 16 80.256 -10.954 10.442 1.00 0.00 O ATOM 264 OE2 GLU A 16 80.858 -9.356 9.129 1.00 0.00 O ATOM 0 H GLU A 16 78.307 -9.177 6.715 1.00 0.00 H new ATOM 0 HA GLU A 16 77.017 -11.822 6.562 1.00 0.00 H new ATOM 0 HB2 GLU A 16 77.922 -12.075 8.841 1.00 0.00 H new ATOM 0 HB3 GLU A 16 79.192 -11.638 7.716 1.00 0.00 H new ATOM 0 HG2 GLU A 16 78.490 -9.134 8.429 1.00 0.00 H new ATOM 0 HG3 GLU A 16 77.891 -9.949 9.860 1.00 0.00 H new ATOM 271 N VAL A 17 74.896 -11.225 7.751 1.00 0.00 N ATOM 272 CA VAL A 17 73.630 -10.812 8.346 1.00 0.00 C ATOM 273 C VAL A 17 72.901 -11.981 9.011 1.00 0.00 C ATOM 274 O VAL A 17 73.066 -13.136 8.621 1.00 0.00 O ATOM 275 CB VAL A 17 72.747 -10.198 7.259 1.00 0.00 C ATOM 276 CG1 VAL A 17 73.592 -9.281 6.375 1.00 0.00 C ATOM 277 CG2 VAL A 17 72.136 -11.310 6.400 1.00 0.00 C ATOM 0 H VAL A 17 74.882 -12.137 7.295 1.00 0.00 H new ATOM 0 HA VAL A 17 73.841 -10.078 9.124 1.00 0.00 H new ATOM 0 HB VAL A 17 71.948 -9.622 7.726 1.00 0.00 H new ATOM 0 HG11 VAL A 17 72.964 -8.843 5.600 1.00 0.00 H new ATOM 0 HG12 VAL A 17 74.025 -8.487 6.983 1.00 0.00 H new ATOM 0 HG13 VAL A 17 74.391 -9.859 5.911 1.00 0.00 H new ATOM 0 HG21 VAL A 17 71.507 -10.869 5.627 1.00 0.00 H new ATOM 0 HG22 VAL A 17 72.933 -11.889 5.933 1.00 0.00 H new ATOM 0 HG23 VAL A 17 71.532 -11.965 7.028 1.00 0.00 H new ATOM 287 N GLU A 18 72.088 -11.656 10.020 1.00 0.00 N ATOM 288 CA GLU A 18 71.319 -12.667 10.748 1.00 0.00 C ATOM 289 C GLU A 18 69.819 -12.432 10.531 1.00 0.00 C ATOM 290 O GLU A 18 69.437 -11.519 9.811 1.00 0.00 O ATOM 291 CB GLU A 18 71.643 -12.590 12.247 1.00 0.00 C ATOM 292 CG GLU A 18 72.984 -11.881 12.468 1.00 0.00 C ATOM 293 CD GLU A 18 74.070 -12.492 11.589 1.00 0.00 C ATOM 294 OE1 GLU A 18 74.713 -11.736 10.877 1.00 0.00 O ATOM 295 OE2 GLU A 18 74.250 -13.697 11.643 1.00 0.00 O ATOM 0 H GLU A 18 71.946 -10.702 10.350 1.00 0.00 H new ATOM 0 HA GLU A 18 71.586 -13.656 10.375 1.00 0.00 H new ATOM 0 HB2 GLU A 18 70.851 -12.054 12.770 1.00 0.00 H new ATOM 0 HB3 GLU A 18 71.681 -13.594 12.669 1.00 0.00 H new ATOM 0 HG2 GLU A 18 72.881 -10.820 12.242 1.00 0.00 H new ATOM 0 HG3 GLU A 18 73.273 -11.957 13.516 1.00 0.00 H new ATOM 302 N PRO A 19 68.958 -13.222 11.125 1.00 0.00 N ATOM 303 CA PRO A 19 67.485 -13.045 10.963 1.00 0.00 C ATOM 304 C PRO A 19 66.951 -11.826 11.727 1.00 0.00 C ATOM 305 O PRO A 19 65.740 -11.621 11.795 1.00 0.00 O ATOM 306 CB PRO A 19 66.873 -14.338 11.523 1.00 0.00 C ATOM 307 CG PRO A 19 68.014 -15.222 11.928 1.00 0.00 C ATOM 308 CD PRO A 19 69.269 -14.356 11.999 1.00 0.00 C ATOM 0 HA PRO A 19 67.226 -12.867 9.919 1.00 0.00 H new ATOM 0 HB2 PRO A 19 66.230 -14.123 12.376 1.00 0.00 H new ATOM 0 HB3 PRO A 19 66.253 -14.828 10.772 1.00 0.00 H new ATOM 0 HG2 PRO A 19 67.814 -15.686 12.894 1.00 0.00 H new ATOM 0 HG3 PRO A 19 68.147 -16.029 11.208 1.00 0.00 H new ATOM 0 HD2 PRO A 19 69.474 -14.031 13.019 1.00 0.00 H new ATOM 0 HD3 PRO A 19 70.150 -14.898 11.654 1.00 0.00 H new ATOM 316 N SER A 20 67.857 -11.022 12.291 1.00 0.00 N ATOM 317 CA SER A 20 67.455 -9.817 13.034 1.00 0.00 C ATOM 318 C SER A 20 68.038 -8.580 12.353 1.00 0.00 C ATOM 319 O SER A 20 67.938 -7.455 12.841 1.00 0.00 O ATOM 320 CB SER A 20 67.940 -9.896 14.482 1.00 0.00 C ATOM 321 OG SER A 20 69.330 -10.197 14.495 1.00 0.00 O ATOM 0 H SER A 20 68.864 -11.178 12.250 1.00 0.00 H new ATOM 0 HA SER A 20 66.367 -9.749 13.038 1.00 0.00 H new ATOM 0 HB2 SER A 20 67.756 -8.950 14.992 1.00 0.00 H new ATOM 0 HB3 SER A 20 67.385 -10.663 15.023 1.00 0.00 H new ATOM 0 HG SER A 20 69.645 -10.247 15.422 1.00 0.00 H new ATOM 327 N ASP A 21 68.619 -8.843 11.203 1.00 0.00 N ATOM 328 CA ASP A 21 69.229 -7.848 10.329 1.00 0.00 C ATOM 329 C ASP A 21 68.155 -7.164 9.524 1.00 0.00 C ATOM 330 O ASP A 21 68.194 -7.136 8.292 1.00 0.00 O ATOM 331 CB ASP A 21 70.255 -8.464 9.410 1.00 0.00 C ATOM 332 CG ASP A 21 71.591 -8.598 10.132 1.00 0.00 C ATOM 333 OD1 ASP A 21 72.579 -8.127 9.594 1.00 0.00 O ATOM 334 OD2 ASP A 21 71.603 -9.148 11.221 1.00 0.00 O ATOM 0 H ASP A 21 68.685 -9.790 10.831 1.00 0.00 H new ATOM 0 HA ASP A 21 69.746 -7.119 10.952 1.00 0.00 H new ATOM 0 HB2 ASP A 21 69.914 -9.444 9.076 1.00 0.00 H new ATOM 0 HB3 ASP A 21 70.374 -7.847 8.519 1.00 0.00 H new ATOM 339 N THR A 22 67.128 -6.741 10.212 1.00 0.00 N ATOM 340 CA THR A 22 65.964 -6.208 9.537 1.00 0.00 C ATOM 341 C THR A 22 66.302 -4.945 8.778 1.00 0.00 C ATOM 342 O THR A 22 67.161 -4.167 9.170 1.00 0.00 O ATOM 343 CB THR A 22 64.917 -5.818 10.585 1.00 0.00 C ATOM 344 OG1 THR A 22 64.995 -4.418 10.817 1.00 0.00 O ATOM 345 CG2 THR A 22 65.198 -6.559 11.886 1.00 0.00 C ATOM 0 H THR A 22 67.069 -6.753 11.230 1.00 0.00 H new ATOM 0 HA THR A 22 65.599 -6.972 8.850 1.00 0.00 H new ATOM 0 HB THR A 22 63.922 -6.081 10.226 1.00 0.00 H new ATOM 0 HG1 THR A 22 64.327 -4.160 11.486 1.00 0.00 H new ATOM 0 HG21 THR A 22 64.453 -6.281 12.631 1.00 0.00 H new ATOM 0 HG22 THR A 22 65.152 -7.634 11.710 1.00 0.00 H new ATOM 0 HG23 THR A 22 66.191 -6.293 12.249 1.00 0.00 H new ATOM 353 N ILE A 23 65.616 -4.810 7.646 1.00 0.00 N ATOM 354 CA ILE A 23 65.796 -3.697 6.725 1.00 0.00 C ATOM 355 C ILE A 23 66.328 -2.457 7.437 1.00 0.00 C ATOM 356 O ILE A 23 67.210 -1.769 6.922 1.00 0.00 O ATOM 357 CB ILE A 23 64.457 -3.389 6.066 1.00 0.00 C ATOM 358 CG1 ILE A 23 63.660 -4.691 5.851 1.00 0.00 C ATOM 359 CG2 ILE A 23 64.674 -2.694 4.728 1.00 0.00 C ATOM 360 CD1 ILE A 23 64.517 -5.750 5.133 1.00 0.00 C ATOM 0 H ILE A 23 64.911 -5.481 7.341 1.00 0.00 H new ATOM 0 HA ILE A 23 66.533 -3.979 5.973 1.00 0.00 H new ATOM 0 HB ILE A 23 63.892 -2.727 6.722 1.00 0.00 H new ATOM 0 HG12 ILE A 23 63.325 -5.080 6.813 1.00 0.00 H new ATOM 0 HG13 ILE A 23 62.766 -4.482 5.263 1.00 0.00 H new ATOM 0 HG21 ILE A 23 63.709 -2.480 4.268 1.00 0.00 H new ATOM 0 HG22 ILE A 23 65.215 -1.761 4.886 1.00 0.00 H new ATOM 0 HG23 ILE A 23 65.253 -3.343 4.071 1.00 0.00 H new ATOM 0 HD11 ILE A 23 63.931 -6.659 4.994 1.00 0.00 H new ATOM 0 HD12 ILE A 23 64.830 -5.367 4.161 1.00 0.00 H new ATOM 0 HD13 ILE A 23 65.397 -5.975 5.735 1.00 0.00 H new ATOM 372 N GLU A 24 65.800 -2.183 8.621 1.00 0.00 N ATOM 373 CA GLU A 24 66.244 -1.028 9.389 1.00 0.00 C ATOM 374 C GLU A 24 67.733 -1.158 9.715 1.00 0.00 C ATOM 375 O GLU A 24 68.513 -0.234 9.486 1.00 0.00 O ATOM 376 CB GLU A 24 65.423 -0.922 10.676 1.00 0.00 C ATOM 377 CG GLU A 24 65.784 0.370 11.411 1.00 0.00 C ATOM 378 CD GLU A 24 64.756 0.652 12.502 1.00 0.00 C ATOM 379 OE1 GLU A 24 65.155 0.749 13.651 1.00 0.00 O ATOM 380 OE2 GLU A 24 63.589 0.767 12.172 1.00 0.00 O ATOM 0 H GLU A 24 65.070 -2.738 9.068 1.00 0.00 H new ATOM 0 HA GLU A 24 66.096 -0.123 8.800 1.00 0.00 H new ATOM 0 HB2 GLU A 24 64.358 -0.934 10.442 1.00 0.00 H new ATOM 0 HB3 GLU A 24 65.618 -1.783 11.316 1.00 0.00 H new ATOM 0 HG2 GLU A 24 66.778 0.283 11.850 1.00 0.00 H new ATOM 0 HG3 GLU A 24 65.818 1.202 10.707 1.00 0.00 H new ATOM 387 N ASN A 25 68.118 -2.322 10.231 1.00 0.00 N ATOM 388 CA ASN A 25 69.514 -2.590 10.567 1.00 0.00 C ATOM 389 C ASN A 25 70.345 -2.739 9.298 1.00 0.00 C ATOM 390 O ASN A 25 71.453 -2.207 9.203 1.00 0.00 O ATOM 391 CB ASN A 25 69.612 -3.879 11.389 1.00 0.00 C ATOM 392 CG ASN A 25 68.789 -3.742 12.665 1.00 0.00 C ATOM 393 OD1 ASN A 25 69.345 -3.705 13.763 1.00 0.00 O ATOM 394 ND2 ASN A 25 67.490 -3.648 12.585 1.00 0.00 N ATOM 0 H ASN A 25 67.483 -3.096 10.426 1.00 0.00 H new ATOM 0 HA ASN A 25 69.898 -1.753 11.150 1.00 0.00 H new ATOM 0 HB2 ASN A 25 69.252 -4.724 10.802 1.00 0.00 H new ATOM 0 HB3 ASN A 25 70.653 -4.084 11.637 1.00 0.00 H new ATOM 0 HD21 ASN A 25 66.933 -3.544 13.433 1.00 0.00 H new ATOM 0 HD22 ASN A 25 67.032 -3.679 11.674 1.00 0.00 H new ATOM 401 N ALA A 26 69.805 -3.467 8.326 1.00 0.00 N ATOM 402 CA ALA A 26 70.503 -3.684 7.064 1.00 0.00 C ATOM 403 C ALA A 26 70.819 -2.354 6.392 1.00 0.00 C ATOM 404 O ALA A 26 71.891 -2.178 5.812 1.00 0.00 O ATOM 405 CB ALA A 26 69.644 -4.540 6.133 1.00 0.00 C ATOM 0 H ALA A 26 68.891 -3.915 8.387 1.00 0.00 H new ATOM 0 HA ALA A 26 71.439 -4.203 7.272 1.00 0.00 H new ATOM 0 HB1 ALA A 26 70.172 -4.697 5.193 1.00 0.00 H new ATOM 0 HB2 ALA A 26 69.446 -5.503 6.604 1.00 0.00 H new ATOM 0 HB3 ALA A 26 68.700 -4.031 5.938 1.00 0.00 H new ATOM 411 N LYS A 27 69.880 -1.417 6.478 1.00 0.00 N ATOM 412 CA LYS A 27 70.072 -0.104 5.876 1.00 0.00 C ATOM 413 C LYS A 27 71.285 0.586 6.492 1.00 0.00 C ATOM 414 O LYS A 27 72.077 1.217 5.792 1.00 0.00 O ATOM 415 CB LYS A 27 68.829 0.761 6.109 1.00 0.00 C ATOM 416 CG LYS A 27 67.753 0.415 5.080 1.00 0.00 C ATOM 417 CD LYS A 27 66.390 0.873 5.604 1.00 0.00 C ATOM 418 CE LYS A 27 65.340 0.738 4.500 1.00 0.00 C ATOM 419 NZ LYS A 27 64.036 0.339 5.102 1.00 0.00 N ATOM 0 H LYS A 27 68.987 -1.541 6.954 1.00 0.00 H new ATOM 0 HA LYS A 27 70.235 -0.232 4.806 1.00 0.00 H new ATOM 0 HB2 LYS A 27 68.446 0.599 7.117 1.00 0.00 H new ATOM 0 HB3 LYS A 27 69.091 1.816 6.033 1.00 0.00 H new ATOM 0 HG2 LYS A 27 67.972 0.901 4.129 1.00 0.00 H new ATOM 0 HG3 LYS A 27 67.742 -0.659 4.894 1.00 0.00 H new ATOM 0 HD2 LYS A 27 66.102 0.274 6.468 1.00 0.00 H new ATOM 0 HD3 LYS A 27 66.448 1.909 5.939 1.00 0.00 H new ATOM 0 HE2 LYS A 27 65.233 1.683 3.967 1.00 0.00 H new ATOM 0 HE3 LYS A 27 65.658 -0.006 3.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 63.532 -0.295 4.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 64.205 -0.154 6.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 63.459 1.187 5.275 1.00 0.00 H new ATOM 433 N ALA A 28 71.417 0.461 7.808 1.00 0.00 N ATOM 434 CA ALA A 28 72.531 1.076 8.521 1.00 0.00 C ATOM 435 C ALA A 28 73.860 0.454 8.099 1.00 0.00 C ATOM 436 O ALA A 28 74.861 1.152 7.945 1.00 0.00 O ATOM 437 CB ALA A 28 72.339 0.900 10.028 1.00 0.00 C ATOM 0 H ALA A 28 70.769 -0.058 8.401 1.00 0.00 H new ATOM 0 HA ALA A 28 72.552 2.137 8.273 1.00 0.00 H new ATOM 0 HB1 ALA A 28 73.173 1.361 10.557 1.00 0.00 H new ATOM 0 HB2 ALA A 28 71.408 1.376 10.334 1.00 0.00 H new ATOM 0 HB3 ALA A 28 72.299 -0.162 10.268 1.00 0.00 H new ATOM 443 N LYS A 29 73.862 -0.864 7.919 1.00 0.00 N ATOM 444 CA LYS A 29 75.077 -1.567 7.522 1.00 0.00 C ATOM 445 C LYS A 29 75.579 -1.069 6.171 1.00 0.00 C ATOM 446 O LYS A 29 76.778 -0.859 5.984 1.00 0.00 O ATOM 447 CB LYS A 29 74.807 -3.071 7.446 1.00 0.00 C ATOM 448 CG LYS A 29 75.146 -3.721 8.788 1.00 0.00 C ATOM 449 CD LYS A 29 74.606 -5.152 8.815 1.00 0.00 C ATOM 450 CE LYS A 29 75.376 -5.971 9.852 1.00 0.00 C ATOM 451 NZ LYS A 29 76.678 -6.407 9.274 1.00 0.00 N ATOM 0 H LYS A 29 73.044 -1.461 8.040 1.00 0.00 H new ATOM 0 HA LYS A 29 75.844 -1.370 8.271 1.00 0.00 H new ATOM 0 HB2 LYS A 29 73.761 -3.251 7.197 1.00 0.00 H new ATOM 0 HB3 LYS A 29 75.405 -3.519 6.652 1.00 0.00 H new ATOM 0 HG2 LYS A 29 76.225 -3.726 8.939 1.00 0.00 H new ATOM 0 HG3 LYS A 29 74.713 -3.142 9.604 1.00 0.00 H new ATOM 0 HD2 LYS A 29 73.543 -5.146 9.058 1.00 0.00 H new ATOM 0 HD3 LYS A 29 74.706 -5.608 7.830 1.00 0.00 H new ATOM 0 HE2 LYS A 29 75.546 -5.375 10.749 1.00 0.00 H new ATOM 0 HE3 LYS A 29 74.790 -6.840 10.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 77.412 -6.379 10.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 76.589 -7.377 8.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 76.944 -5.769 8.497 1.00 0.00 H new ATOM 465 N ILE A 30 74.659 -0.882 5.230 1.00 0.00 N ATOM 466 CA ILE A 30 75.028 -0.410 3.901 1.00 0.00 C ATOM 467 C ILE A 30 75.486 1.043 3.956 1.00 0.00 C ATOM 468 O ILE A 30 76.420 1.436 3.258 1.00 0.00 O ATOM 469 CB ILE A 30 73.840 -0.544 2.950 1.00 0.00 C ATOM 470 CG1 ILE A 30 73.796 -1.973 2.410 1.00 0.00 C ATOM 471 CG2 ILE A 30 73.997 0.436 1.783 1.00 0.00 C ATOM 472 CD1 ILE A 30 72.376 -2.311 1.966 1.00 0.00 C ATOM 0 H ILE A 30 73.661 -1.048 5.361 1.00 0.00 H new ATOM 0 HA ILE A 30 75.852 -1.021 3.534 1.00 0.00 H new ATOM 0 HB ILE A 30 72.917 -0.319 3.484 1.00 0.00 H new ATOM 0 HG12 ILE A 30 74.484 -2.076 1.571 1.00 0.00 H new ATOM 0 HG13 ILE A 30 74.123 -2.673 3.179 1.00 0.00 H new ATOM 0 HG21 ILE A 30 73.147 0.337 1.108 1.00 0.00 H new ATOM 0 HG22 ILE A 30 74.038 1.455 2.167 1.00 0.00 H new ATOM 0 HG23 ILE A 30 74.918 0.214 1.243 1.00 0.00 H new ATOM 0 HD11 ILE A 30 72.348 -3.331 1.581 1.00 0.00 H new ATOM 0 HD12 ILE A 30 71.699 -2.225 2.816 1.00 0.00 H new ATOM 0 HD13 ILE A 30 72.065 -1.619 1.183 1.00 0.00 H new ATOM 484 N GLN A 31 74.821 1.836 4.789 1.00 0.00 N ATOM 485 CA GLN A 31 75.170 3.245 4.923 1.00 0.00 C ATOM 486 C GLN A 31 76.632 3.397 5.331 1.00 0.00 C ATOM 487 O GLN A 31 77.347 4.244 4.800 1.00 0.00 O ATOM 488 CB GLN A 31 74.271 3.911 5.967 1.00 0.00 C ATOM 489 CG GLN A 31 74.788 5.319 6.264 1.00 0.00 C ATOM 490 CD GLN A 31 75.665 5.305 7.511 1.00 0.00 C ATOM 491 OE1 GLN A 31 76.873 5.526 7.427 1.00 0.00 O ATOM 492 NE2 GLN A 31 75.123 5.057 8.673 1.00 0.00 N ATOM 0 H GLN A 31 74.045 1.531 5.376 1.00 0.00 H new ATOM 0 HA GLN A 31 75.022 3.730 3.958 1.00 0.00 H new ATOM 0 HB2 GLN A 31 73.245 3.959 5.601 1.00 0.00 H new ATOM 0 HB3 GLN A 31 74.256 3.317 6.881 1.00 0.00 H new ATOM 0 HG2 GLN A 31 75.358 5.692 5.413 1.00 0.00 H new ATOM 0 HG3 GLN A 31 73.949 6.000 6.408 1.00 0.00 H new ATOM 0 HE21 GLN A 31 74.122 4.874 8.740 1.00 0.00 H new ATOM 0 HE22 GLN A 31 75.701 5.046 9.513 1.00 0.00 H new ATOM 501 N ASP A 32 77.069 2.574 6.276 1.00 0.00 N ATOM 502 CA ASP A 32 78.450 2.633 6.744 1.00 0.00 C ATOM 503 C ASP A 32 79.413 2.160 5.658 1.00 0.00 C ATOM 504 O ASP A 32 80.617 2.402 5.737 1.00 0.00 O ATOM 505 CB ASP A 32 78.616 1.762 7.989 1.00 0.00 C ATOM 506 CG ASP A 32 79.111 2.608 9.155 1.00 0.00 C ATOM 507 OD1 ASP A 32 80.301 2.571 9.428 1.00 0.00 O ATOM 508 OD2 ASP A 32 78.296 3.286 9.759 1.00 0.00 O ATOM 0 H ASP A 32 76.495 1.864 6.730 1.00 0.00 H new ATOM 0 HA ASP A 32 78.683 3.669 6.989 1.00 0.00 H new ATOM 0 HB2 ASP A 32 77.665 1.295 8.246 1.00 0.00 H new ATOM 0 HB3 ASP A 32 79.322 0.957 7.788 1.00 0.00 H new ATOM 513 N LYS A 33 78.879 1.474 4.653 1.00 0.00 N ATOM 514 CA LYS A 33 79.708 0.962 3.567 1.00 0.00 C ATOM 515 C LYS A 33 79.724 1.918 2.375 1.00 0.00 C ATOM 516 O LYS A 33 80.773 2.147 1.771 1.00 0.00 O ATOM 517 CB LYS A 33 79.184 -0.402 3.111 1.00 0.00 C ATOM 518 CG LYS A 33 79.355 -1.423 4.238 1.00 0.00 C ATOM 519 CD LYS A 33 80.312 -2.526 3.784 1.00 0.00 C ATOM 520 CE LYS A 33 80.524 -3.522 4.926 1.00 0.00 C ATOM 521 NZ LYS A 33 81.732 -3.132 5.706 1.00 0.00 N ATOM 0 H LYS A 33 77.885 1.261 4.567 1.00 0.00 H new ATOM 0 HA LYS A 33 80.726 0.865 3.944 1.00 0.00 H new ATOM 0 HB2 LYS A 33 78.133 -0.324 2.834 1.00 0.00 H new ATOM 0 HB3 LYS A 33 79.724 -0.732 2.223 1.00 0.00 H new ATOM 0 HG2 LYS A 33 79.744 -0.934 5.131 1.00 0.00 H new ATOM 0 HG3 LYS A 33 78.389 -1.852 4.505 1.00 0.00 H new ATOM 0 HD2 LYS A 33 79.906 -3.038 2.912 1.00 0.00 H new ATOM 0 HD3 LYS A 33 81.266 -2.093 3.484 1.00 0.00 H new ATOM 0 HE2 LYS A 33 79.649 -3.539 5.575 1.00 0.00 H new ATOM 0 HE3 LYS A 33 80.645 -4.529 4.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 81.877 -3.808 6.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 82.564 -3.137 5.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 81.599 -2.178 6.098 1.00 0.00 H new ATOM 535 N GLU A 34 78.560 2.460 2.029 1.00 0.00 N ATOM 536 CA GLU A 34 78.463 3.372 0.892 1.00 0.00 C ATOM 537 C GLU A 34 78.364 4.828 1.346 1.00 0.00 C ATOM 538 O GLU A 34 78.565 5.744 0.549 1.00 0.00 O ATOM 539 CB GLU A 34 77.236 3.020 0.047 1.00 0.00 C ATOM 540 CG GLU A 34 77.403 1.614 -0.536 1.00 0.00 C ATOM 541 CD GLU A 34 78.346 1.654 -1.733 1.00 0.00 C ATOM 542 OE1 GLU A 34 79.543 1.750 -1.516 1.00 0.00 O ATOM 543 OE2 GLU A 34 77.858 1.588 -2.849 1.00 0.00 O ATOM 0 H GLU A 34 77.679 2.287 2.513 1.00 0.00 H new ATOM 0 HA GLU A 34 79.370 3.260 0.298 1.00 0.00 H new ATOM 0 HB2 GLU A 34 76.335 3.067 0.658 1.00 0.00 H new ATOM 0 HB3 GLU A 34 77.114 3.746 -0.757 1.00 0.00 H new ATOM 0 HG2 GLU A 34 77.797 0.940 0.225 1.00 0.00 H new ATOM 0 HG3 GLU A 34 76.433 1.220 -0.840 1.00 0.00 H new ATOM 550 N GLY A 35 78.051 5.039 2.618 1.00 0.00 N ATOM 551 CA GLY A 35 77.928 6.395 3.141 1.00 0.00 C ATOM 552 C GLY A 35 76.554 6.973 2.822 1.00 0.00 C ATOM 553 O GLY A 35 76.271 8.132 3.122 1.00 0.00 O ATOM 0 H GLY A 35 77.879 4.300 3.300 1.00 0.00 H new ATOM 0 HA2 GLY A 35 78.084 6.390 4.220 1.00 0.00 H new ATOM 0 HA3 GLY A 35 78.703 7.028 2.710 1.00 0.00 H new ATOM 557 N ILE A 36 75.706 6.152 2.209 1.00 0.00 N ATOM 558 CA ILE A 36 74.361 6.585 1.848 1.00 0.00 C ATOM 559 C ILE A 36 73.425 6.491 3.064 1.00 0.00 C ATOM 560 O ILE A 36 73.276 5.410 3.634 1.00 0.00 O ATOM 561 CB ILE A 36 73.820 5.692 0.730 1.00 0.00 C ATOM 562 CG1 ILE A 36 74.777 5.729 -0.464 1.00 0.00 C ATOM 563 CG2 ILE A 36 72.444 6.199 0.291 1.00 0.00 C ATOM 564 CD1 ILE A 36 74.391 4.635 -1.462 1.00 0.00 C ATOM 0 H ILE A 36 75.925 5.189 1.953 1.00 0.00 H new ATOM 0 HA ILE A 36 74.405 7.620 1.510 1.00 0.00 H new ATOM 0 HB ILE A 36 73.733 4.669 1.096 1.00 0.00 H new ATOM 0 HG12 ILE A 36 74.737 6.706 -0.946 1.00 0.00 H new ATOM 0 HG13 ILE A 36 75.803 5.582 -0.126 1.00 0.00 H new ATOM 0 HG21 ILE A 36 72.059 5.562 -0.506 1.00 0.00 H new ATOM 0 HG22 ILE A 36 71.759 6.174 1.139 1.00 0.00 H new ATOM 0 HG23 ILE A 36 72.533 7.223 -0.073 1.00 0.00 H new ATOM 0 HD11 ILE A 36 75.072 4.661 -2.312 1.00 0.00 H new ATOM 0 HD12 ILE A 36 74.454 3.661 -0.977 1.00 0.00 H new ATOM 0 HD13 ILE A 36 73.371 4.802 -1.809 1.00 0.00 H new ATOM 576 N PRO A 37 72.791 7.569 3.483 1.00 0.00 N ATOM 577 CA PRO A 37 71.869 7.526 4.655 1.00 0.00 C ATOM 578 C PRO A 37 70.959 6.293 4.613 1.00 0.00 C ATOM 579 O PRO A 37 70.673 5.770 3.538 1.00 0.00 O ATOM 580 CB PRO A 37 71.054 8.810 4.522 1.00 0.00 C ATOM 581 CG PRO A 37 71.931 9.765 3.784 1.00 0.00 C ATOM 582 CD PRO A 37 72.867 8.927 2.909 1.00 0.00 C ATOM 0 HA PRO A 37 72.405 7.457 5.602 1.00 0.00 H new ATOM 0 HB2 PRO A 37 70.125 8.631 3.980 1.00 0.00 H new ATOM 0 HB3 PRO A 37 70.781 9.204 5.501 1.00 0.00 H new ATOM 0 HG2 PRO A 37 71.335 10.443 3.173 1.00 0.00 H new ATOM 0 HG3 PRO A 37 72.501 10.381 4.479 1.00 0.00 H new ATOM 0 HD2 PRO A 37 72.549 8.936 1.866 1.00 0.00 H new ATOM 0 HD3 PRO A 37 73.886 9.313 2.935 1.00 0.00 H new ATOM 590 N PRO A 38 70.496 5.821 5.749 1.00 0.00 N ATOM 591 CA PRO A 38 69.600 4.626 5.807 1.00 0.00 C ATOM 592 C PRO A 38 68.188 4.941 5.317 1.00 0.00 C ATOM 593 O PRO A 38 67.494 4.068 4.795 1.00 0.00 O ATOM 594 CB PRO A 38 69.590 4.252 7.289 1.00 0.00 C ATOM 595 CG PRO A 38 69.888 5.518 8.019 1.00 0.00 C ATOM 596 CD PRO A 38 70.769 6.359 7.095 1.00 0.00 C ATOM 0 HA PRO A 38 69.951 3.821 5.162 1.00 0.00 H new ATOM 0 HB2 PRO A 38 68.623 3.846 7.585 1.00 0.00 H new ATOM 0 HB3 PRO A 38 70.336 3.488 7.506 1.00 0.00 H new ATOM 0 HG2 PRO A 38 68.968 6.048 8.266 1.00 0.00 H new ATOM 0 HG3 PRO A 38 70.399 5.312 8.959 1.00 0.00 H new ATOM 0 HD2 PRO A 38 70.518 7.418 7.160 1.00 0.00 H new ATOM 0 HD3 PRO A 38 71.823 6.265 7.355 1.00 0.00 H new ATOM 604 N ASP A 39 67.769 6.190 5.493 1.00 0.00 N ATOM 605 CA ASP A 39 66.438 6.608 5.069 1.00 0.00 C ATOM 606 C ASP A 39 66.368 6.741 3.550 1.00 0.00 C ATOM 607 O ASP A 39 65.304 6.581 2.953 1.00 0.00 O ATOM 608 CB ASP A 39 66.082 7.947 5.716 1.00 0.00 C ATOM 609 CG ASP A 39 64.812 7.807 6.549 1.00 0.00 C ATOM 610 OD1 ASP A 39 63.740 7.822 5.966 1.00 0.00 O ATOM 611 OD2 ASP A 39 64.930 7.688 7.757 1.00 0.00 O ATOM 0 H ASP A 39 68.328 6.926 5.924 1.00 0.00 H new ATOM 0 HA ASP A 39 65.724 5.847 5.385 1.00 0.00 H new ATOM 0 HB2 ASP A 39 66.904 8.285 6.347 1.00 0.00 H new ATOM 0 HB3 ASP A 39 65.939 8.705 4.946 1.00 0.00 H new ATOM 616 N GLN A 40 67.506 7.039 2.933 1.00 0.00 N ATOM 617 CA GLN A 40 67.558 7.197 1.484 1.00 0.00 C ATOM 618 C GLN A 40 67.888 5.869 0.807 1.00 0.00 C ATOM 619 O GLN A 40 68.159 5.826 -0.394 1.00 0.00 O ATOM 620 CB GLN A 40 68.615 8.238 1.110 1.00 0.00 C ATOM 621 CG GLN A 40 68.077 9.639 1.408 1.00 0.00 C ATOM 622 CD GLN A 40 69.107 10.690 1.010 1.00 0.00 C ATOM 623 OE1 GLN A 40 69.233 11.719 1.672 1.00 0.00 O ATOM 624 NE2 GLN A 40 69.858 10.490 -0.040 1.00 0.00 N ATOM 0 H GLN A 40 68.398 7.175 3.409 1.00 0.00 H new ATOM 0 HA GLN A 40 66.579 7.532 1.141 1.00 0.00 H new ATOM 0 HB2 GLN A 40 69.531 8.061 1.674 1.00 0.00 H new ATOM 0 HB3 GLN A 40 68.869 8.151 0.054 1.00 0.00 H new ATOM 0 HG2 GLN A 40 67.148 9.804 0.863 1.00 0.00 H new ATOM 0 HG3 GLN A 40 67.844 9.730 2.469 1.00 0.00 H new ATOM 0 HE21 GLN A 40 69.752 9.636 -0.588 1.00 0.00 H new ATOM 0 HE22 GLN A 40 70.550 11.188 -0.312 1.00 0.00 H new ATOM 633 N GLN A 41 67.863 4.790 1.582 1.00 0.00 N ATOM 634 CA GLN A 41 68.164 3.468 1.043 1.00 0.00 C ATOM 635 C GLN A 41 66.882 2.690 0.768 1.00 0.00 C ATOM 636 O GLN A 41 65.931 2.746 1.550 1.00 0.00 O ATOM 637 CB GLN A 41 69.034 2.687 2.029 1.00 0.00 C ATOM 638 CG GLN A 41 70.493 3.117 1.875 1.00 0.00 C ATOM 639 CD GLN A 41 71.298 2.669 3.090 1.00 0.00 C ATOM 640 OE1 GLN A 41 70.822 1.861 3.888 1.00 0.00 O ATOM 641 NE2 GLN A 41 72.497 3.149 3.281 1.00 0.00 N ATOM 0 H GLN A 41 67.639 4.803 2.577 1.00 0.00 H new ATOM 0 HA GLN A 41 68.703 3.597 0.104 1.00 0.00 H new ATOM 0 HB2 GLN A 41 68.697 2.867 3.050 1.00 0.00 H new ATOM 0 HB3 GLN A 41 68.938 1.617 1.846 1.00 0.00 H new ATOM 0 HG2 GLN A 41 70.915 2.683 0.968 1.00 0.00 H new ATOM 0 HG3 GLN A 41 70.552 4.200 1.768 1.00 0.00 H new ATOM 0 HE21 GLN A 41 72.890 3.818 2.619 1.00 0.00 H new ATOM 0 HE22 GLN A 41 73.041 2.855 4.092 1.00 0.00 H new ATOM 650 N ARG A 42 66.865 1.965 -0.345 1.00 0.00 N ATOM 651 CA ARG A 42 65.698 1.173 -0.722 1.00 0.00 C ATOM 652 C ARG A 42 66.115 -0.242 -1.110 1.00 0.00 C ATOM 653 O ARG A 42 66.896 -0.431 -2.043 1.00 0.00 O ATOM 654 CB ARG A 42 64.977 1.835 -1.895 1.00 0.00 C ATOM 655 CG ARG A 42 63.479 1.908 -1.597 1.00 0.00 C ATOM 656 CD ARG A 42 62.727 2.300 -2.868 1.00 0.00 C ATOM 657 NE ARG A 42 61.708 3.297 -2.564 1.00 0.00 N ATOM 658 CZ ARG A 42 60.633 3.441 -3.333 1.00 0.00 C ATOM 659 NH1 ARG A 42 59.732 4.336 -3.035 1.00 0.00 N ATOM 660 NH2 ARG A 42 60.479 2.686 -4.386 1.00 0.00 N ATOM 0 H ARG A 42 67.644 1.909 -1.001 1.00 0.00 H new ATOM 0 HA ARG A 42 65.025 1.119 0.134 1.00 0.00 H new ATOM 0 HB2 ARG A 42 65.375 2.836 -2.062 1.00 0.00 H new ATOM 0 HB3 ARG A 42 65.150 1.267 -2.809 1.00 0.00 H new ATOM 0 HG2 ARG A 42 63.122 0.945 -1.233 1.00 0.00 H new ATOM 0 HG3 ARG A 42 63.289 2.637 -0.809 1.00 0.00 H new ATOM 0 HD2 ARG A 42 63.426 2.697 -3.605 1.00 0.00 H new ATOM 0 HD3 ARG A 42 62.263 1.419 -3.311 1.00 0.00 H new ATOM 0 HE ARG A 42 61.822 3.895 -1.746 1.00 0.00 H new ATOM 0 HH11 ARG A 42 59.852 4.926 -2.212 1.00 0.00 H new ATOM 0 HH12 ARG A 42 58.908 4.446 -3.625 1.00 0.00 H new ATOM 0 HH21 ARG A 42 61.183 1.986 -4.619 1.00 0.00 H new ATOM 0 HH22 ARG A 42 59.654 2.796 -4.976 1.00 0.00 H new ATOM 674 N LEU A 43 65.590 -1.230 -0.390 1.00 0.00 N ATOM 675 CA LEU A 43 65.915 -2.626 -0.669 1.00 0.00 C ATOM 676 C LEU A 43 64.740 -3.331 -1.337 1.00 0.00 C ATOM 677 O LEU A 43 63.590 -3.167 -0.931 1.00 0.00 O ATOM 678 CB LEU A 43 66.275 -3.347 0.631 1.00 0.00 C ATOM 679 CG LEU A 43 67.684 -2.938 1.067 1.00 0.00 C ATOM 680 CD1 LEU A 43 67.781 -2.984 2.592 1.00 0.00 C ATOM 681 CD2 LEU A 43 68.706 -3.907 0.465 1.00 0.00 C ATOM 0 H LEU A 43 64.942 -1.092 0.386 1.00 0.00 H new ATOM 0 HA LEU A 43 66.768 -2.651 -1.347 1.00 0.00 H new ATOM 0 HB2 LEU A 43 65.555 -3.097 1.410 1.00 0.00 H new ATOM 0 HB3 LEU A 43 66.226 -4.426 0.487 1.00 0.00 H new ATOM 0 HG LEU A 43 67.891 -1.926 0.719 1.00 0.00 H new ATOM 0 HD11 LEU A 43 68.785 -2.693 2.902 1.00 0.00 H new ATOM 0 HD12 LEU A 43 67.054 -2.296 3.024 1.00 0.00 H new ATOM 0 HD13 LEU A 43 67.574 -3.996 2.939 1.00 0.00 H new ATOM 0 HD21 LEU A 43 69.710 -3.616 0.775 1.00 0.00 H new ATOM 0 HD22 LEU A 43 68.497 -4.919 0.813 1.00 0.00 H new ATOM 0 HD23 LEU A 43 68.639 -3.877 -0.623 1.00 0.00 H new ATOM 693 N ILE A 44 65.042 -4.109 -2.372 1.00 0.00 N ATOM 694 CA ILE A 44 64.013 -4.839 -3.104 1.00 0.00 C ATOM 695 C ILE A 44 64.443 -6.286 -3.325 1.00 0.00 C ATOM 696 O ILE A 44 65.621 -6.568 -3.544 1.00 0.00 O ATOM 697 CB ILE A 44 63.761 -4.153 -4.448 1.00 0.00 C ATOM 698 CG1 ILE A 44 63.479 -2.665 -4.180 1.00 0.00 C ATOM 699 CG2 ILE A 44 62.566 -4.813 -5.156 1.00 0.00 C ATOM 700 CD1 ILE A 44 62.465 -2.115 -5.182 1.00 0.00 C ATOM 0 H ILE A 44 65.990 -4.250 -2.722 1.00 0.00 H new ATOM 0 HA ILE A 44 63.092 -4.839 -2.520 1.00 0.00 H new ATOM 0 HB ILE A 44 64.632 -4.251 -5.096 1.00 0.00 H new ATOM 0 HG12 ILE A 44 63.100 -2.539 -3.166 1.00 0.00 H new ATOM 0 HG13 ILE A 44 64.407 -2.097 -4.246 1.00 0.00 H new ATOM 0 HG21 ILE A 44 62.392 -4.320 -6.112 1.00 0.00 H new ATOM 0 HG22 ILE A 44 62.781 -5.868 -5.326 1.00 0.00 H new ATOM 0 HG23 ILE A 44 61.677 -4.720 -4.533 1.00 0.00 H new ATOM 0 HD11 ILE A 44 62.281 -1.061 -4.973 1.00 0.00 H new ATOM 0 HD12 ILE A 44 62.858 -2.221 -6.193 1.00 0.00 H new ATOM 0 HD13 ILE A 44 61.531 -2.670 -5.096 1.00 0.00 H new ATOM 712 N PHE A 45 63.478 -7.199 -3.270 1.00 0.00 N ATOM 713 CA PHE A 45 63.766 -8.616 -3.468 1.00 0.00 C ATOM 714 C PHE A 45 62.612 -9.296 -4.199 1.00 0.00 C ATOM 715 O PHE A 45 61.463 -9.222 -3.768 1.00 0.00 O ATOM 716 CB PHE A 45 63.989 -9.299 -2.116 1.00 0.00 C ATOM 717 CG PHE A 45 64.259 -10.769 -2.331 1.00 0.00 C ATOM 718 CD1 PHE A 45 65.536 -11.200 -2.712 1.00 0.00 C ATOM 719 CD2 PHE A 45 63.232 -11.704 -2.145 1.00 0.00 C ATOM 720 CE1 PHE A 45 65.786 -12.562 -2.908 1.00 0.00 C ATOM 721 CE2 PHE A 45 63.482 -13.066 -2.343 1.00 0.00 C ATOM 722 CZ PHE A 45 64.759 -13.497 -2.723 1.00 0.00 C ATOM 0 H PHE A 45 62.497 -6.986 -3.091 1.00 0.00 H new ATOM 0 HA PHE A 45 64.669 -8.705 -4.071 1.00 0.00 H new ATOM 0 HB2 PHE A 45 64.829 -8.836 -1.597 1.00 0.00 H new ATOM 0 HB3 PHE A 45 63.112 -9.169 -1.482 1.00 0.00 H new ATOM 0 HD1 PHE A 45 66.328 -10.480 -2.855 1.00 0.00 H new ATOM 0 HD2 PHE A 45 62.248 -11.373 -1.849 1.00 0.00 H new ATOM 0 HE1 PHE A 45 66.771 -12.893 -3.202 1.00 0.00 H new ATOM 0 HE2 PHE A 45 62.689 -13.786 -2.203 1.00 0.00 H new ATOM 0 HZ PHE A 45 64.952 -14.549 -2.873 1.00 0.00 H new ATOM 732 N ALA A 46 62.927 -9.957 -5.308 1.00 0.00 N ATOM 733 CA ALA A 46 61.906 -10.645 -6.092 1.00 0.00 C ATOM 734 C ALA A 46 60.990 -9.636 -6.777 1.00 0.00 C ATOM 735 O ALA A 46 59.901 -9.983 -7.232 1.00 0.00 O ATOM 736 CB ALA A 46 61.076 -11.554 -5.183 1.00 0.00 C ATOM 0 H ALA A 46 63.873 -10.031 -5.682 1.00 0.00 H new ATOM 0 HA ALA A 46 62.401 -11.247 -6.854 1.00 0.00 H new ATOM 0 HB1 ALA A 46 60.316 -12.064 -5.775 1.00 0.00 H new ATOM 0 HB2 ALA A 46 61.727 -12.292 -4.714 1.00 0.00 H new ATOM 0 HB3 ALA A 46 60.593 -10.954 -4.412 1.00 0.00 H new ATOM 742 N GLY A 47 61.440 -8.389 -6.847 1.00 0.00 N ATOM 743 CA GLY A 47 60.651 -7.337 -7.479 1.00 0.00 C ATOM 744 C GLY A 47 59.718 -6.680 -6.468 1.00 0.00 C ATOM 745 O GLY A 47 58.988 -5.744 -6.796 1.00 0.00 O ATOM 0 H GLY A 47 62.340 -8.082 -6.477 1.00 0.00 H new ATOM 0 HA2 GLY A 47 61.315 -6.587 -7.909 1.00 0.00 H new ATOM 0 HA3 GLY A 47 60.069 -7.756 -8.300 1.00 0.00 H new ATOM 749 N LYS A 48 59.748 -7.178 -5.236 1.00 0.00 N ATOM 750 CA LYS A 48 58.904 -6.634 -4.181 1.00 0.00 C ATOM 751 C LYS A 48 59.710 -5.698 -3.283 1.00 0.00 C ATOM 752 O LYS A 48 60.868 -5.972 -2.967 1.00 0.00 O ATOM 753 CB LYS A 48 58.318 -7.779 -3.350 1.00 0.00 C ATOM 754 CG LYS A 48 57.965 -7.277 -1.949 1.00 0.00 C ATOM 755 CD LYS A 48 56.970 -8.242 -1.299 1.00 0.00 C ATOM 756 CE LYS A 48 57.587 -9.640 -1.228 1.00 0.00 C ATOM 757 NZ LYS A 48 57.291 -10.377 -2.490 1.00 0.00 N ATOM 0 H LYS A 48 60.344 -7.953 -4.946 1.00 0.00 H new ATOM 0 HA LYS A 48 58.093 -6.065 -4.636 1.00 0.00 H new ATOM 0 HB2 LYS A 48 57.428 -8.176 -3.838 1.00 0.00 H new ATOM 0 HB3 LYS A 48 59.036 -8.596 -3.283 1.00 0.00 H new ATOM 0 HG2 LYS A 48 58.866 -7.201 -1.340 1.00 0.00 H new ATOM 0 HG3 LYS A 48 57.534 -6.277 -2.007 1.00 0.00 H new ATOM 0 HD2 LYS A 48 56.712 -7.896 -0.298 1.00 0.00 H new ATOM 0 HD3 LYS A 48 56.045 -8.270 -1.875 1.00 0.00 H new ATOM 0 HE2 LYS A 48 58.665 -9.567 -1.081 1.00 0.00 H new ATOM 0 HE3 LYS A 48 57.185 -10.184 -0.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 56.854 -11.293 -2.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 56.637 -9.817 -3.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 58.175 -10.535 -3.015 1.00 0.00 H new ATOM 771 N GLN A 49 59.091 -4.593 -2.879 1.00 0.00 N ATOM 772 CA GLN A 49 59.761 -3.623 -2.021 1.00 0.00 C ATOM 773 C GLN A 49 59.640 -4.028 -0.556 1.00 0.00 C ATOM 774 O GLN A 49 58.563 -4.412 -0.096 1.00 0.00 O ATOM 775 CB GLN A 49 59.142 -2.238 -2.223 1.00 0.00 C ATOM 776 CG GLN A 49 59.810 -1.238 -1.280 1.00 0.00 C ATOM 777 CD GLN A 49 58.905 -0.963 -0.085 1.00 0.00 C ATOM 778 OE1 GLN A 49 58.475 -1.893 0.596 1.00 0.00 O ATOM 779 NE2 GLN A 49 58.587 0.267 0.212 1.00 0.00 N ATOM 0 H GLN A 49 58.133 -4.348 -3.130 1.00 0.00 H new ATOM 0 HA GLN A 49 60.817 -3.594 -2.290 1.00 0.00 H new ATOM 0 HB2 GLN A 49 59.269 -1.919 -3.258 1.00 0.00 H new ATOM 0 HB3 GLN A 49 58.070 -2.276 -2.030 1.00 0.00 H new ATOM 0 HG2 GLN A 49 60.767 -1.631 -0.938 1.00 0.00 H new ATOM 0 HG3 GLN A 49 60.018 -0.309 -1.810 1.00 0.00 H new ATOM 0 HE21 GLN A 49 58.944 1.037 -0.354 1.00 0.00 H new ATOM 0 HE22 GLN A 49 57.981 0.459 1.010 1.00 0.00 H new ATOM 788 N LEU A 50 60.748 -3.943 0.173 1.00 0.00 N ATOM 789 CA LEU A 50 60.751 -4.309 1.586 1.00 0.00 C ATOM 790 C LEU A 50 60.500 -3.086 2.463 1.00 0.00 C ATOM 791 O LEU A 50 61.147 -2.051 2.302 1.00 0.00 O ATOM 792 CB LEU A 50 62.095 -4.938 1.965 1.00 0.00 C ATOM 793 CG LEU A 50 62.590 -5.831 0.827 1.00 0.00 C ATOM 794 CD1 LEU A 50 63.826 -6.606 1.285 1.00 0.00 C ATOM 795 CD2 LEU A 50 61.489 -6.817 0.435 1.00 0.00 C ATOM 0 H LEU A 50 61.649 -3.627 -0.187 1.00 0.00 H new ATOM 0 HA LEU A 50 59.951 -5.031 1.750 1.00 0.00 H new ATOM 0 HB2 LEU A 50 62.827 -4.157 2.171 1.00 0.00 H new ATOM 0 HB3 LEU A 50 61.988 -5.523 2.878 1.00 0.00 H new ATOM 0 HG LEU A 50 62.847 -5.212 -0.032 1.00 0.00 H new ATOM 0 HD11 LEU A 50 64.178 -7.242 0.473 1.00 0.00 H new ATOM 0 HD12 LEU A 50 64.613 -5.905 1.564 1.00 0.00 H new ATOM 0 HD13 LEU A 50 63.570 -7.224 2.145 1.00 0.00 H new ATOM 0 HD21 LEU A 50 61.842 -7.453 -0.376 1.00 0.00 H new ATOM 0 HD22 LEU A 50 61.231 -7.435 1.295 1.00 0.00 H new ATOM 0 HD23 LEU A 50 60.608 -6.266 0.107 1.00 0.00 H new ATOM 807 N GLU A 51 59.562 -3.217 3.395 1.00 0.00 N ATOM 808 CA GLU A 51 59.236 -2.120 4.302 1.00 0.00 C ATOM 809 C GLU A 51 60.084 -2.211 5.562 1.00 0.00 C ATOM 810 O GLU A 51 60.511 -3.295 5.959 1.00 0.00 O ATOM 811 CB GLU A 51 57.753 -2.174 4.677 1.00 0.00 C ATOM 812 CG GLU A 51 56.905 -1.752 3.478 1.00 0.00 C ATOM 813 CD GLU A 51 55.447 -2.140 3.709 1.00 0.00 C ATOM 814 OE1 GLU A 51 55.179 -3.328 3.794 1.00 0.00 O ATOM 815 OE2 GLU A 51 54.624 -1.246 3.802 1.00 0.00 O ATOM 0 H GLU A 51 59.016 -4.066 3.543 1.00 0.00 H new ATOM 0 HA GLU A 51 59.446 -1.177 3.798 1.00 0.00 H new ATOM 0 HB2 GLU A 51 57.483 -3.183 4.989 1.00 0.00 H new ATOM 0 HB3 GLU A 51 57.557 -1.516 5.523 1.00 0.00 H new ATOM 0 HG2 GLU A 51 56.984 -0.675 3.327 1.00 0.00 H new ATOM 0 HG3 GLU A 51 57.278 -2.229 2.572 1.00 0.00 H new ATOM 822 N ASP A 52 60.326 -1.066 6.190 1.00 0.00 N ATOM 823 CA ASP A 52 61.126 -1.034 7.403 1.00 0.00 C ATOM 824 C ASP A 52 60.330 -1.597 8.580 1.00 0.00 C ATOM 825 O ASP A 52 59.316 -1.028 8.982 1.00 0.00 O ATOM 826 CB ASP A 52 61.553 0.401 7.709 1.00 0.00 C ATOM 827 CG ASP A 52 60.887 1.365 6.732 1.00 0.00 C ATOM 828 OD1 ASP A 52 61.286 1.377 5.579 1.00 0.00 O ATOM 829 OD2 ASP A 52 59.981 2.067 7.148 1.00 0.00 O ATOM 0 H ASP A 52 59.982 -0.157 5.881 1.00 0.00 H new ATOM 0 HA ASP A 52 62.013 -1.649 7.251 1.00 0.00 H new ATOM 0 HB2 ASP A 52 61.279 0.660 8.732 1.00 0.00 H new ATOM 0 HB3 ASP A 52 62.637 0.489 7.637 1.00 0.00 H new ATOM 834 N GLY A 53 60.796 -2.718 9.127 1.00 0.00 N ATOM 835 CA GLY A 53 60.114 -3.345 10.255 1.00 0.00 C ATOM 836 C GLY A 53 60.180 -4.867 10.164 1.00 0.00 C ATOM 837 O GLY A 53 60.293 -5.553 11.181 1.00 0.00 O ATOM 0 H GLY A 53 61.634 -3.206 8.811 1.00 0.00 H new ATOM 0 HA2 GLY A 53 60.570 -3.014 11.188 1.00 0.00 H new ATOM 0 HA3 GLY A 53 59.072 -3.024 10.277 1.00 0.00 H new ATOM 841 N ARG A 54 60.113 -5.389 8.944 1.00 0.00 N ATOM 842 CA ARG A 54 60.170 -6.834 8.736 1.00 0.00 C ATOM 843 C ARG A 54 61.619 -7.301 8.755 1.00 0.00 C ATOM 844 O ARG A 54 62.520 -6.533 8.425 1.00 0.00 O ATOM 845 CB ARG A 54 59.539 -7.199 7.392 1.00 0.00 C ATOM 846 CG ARG A 54 58.419 -6.211 7.060 1.00 0.00 C ATOM 847 CD ARG A 54 57.422 -6.163 8.218 1.00 0.00 C ATOM 848 NE ARG A 54 56.083 -5.872 7.720 1.00 0.00 N ATOM 849 CZ ARG A 54 55.014 -6.012 8.498 1.00 0.00 C ATOM 850 NH1 ARG A 54 53.827 -5.739 8.031 1.00 0.00 N ATOM 851 NH2 ARG A 54 55.152 -6.423 9.729 1.00 0.00 N ATOM 0 H ARG A 54 60.020 -4.840 8.090 1.00 0.00 H new ATOM 0 HA ARG A 54 59.617 -7.325 9.537 1.00 0.00 H new ATOM 0 HB2 ARG A 54 60.296 -7.182 6.608 1.00 0.00 H new ATOM 0 HB3 ARG A 54 59.142 -8.213 7.430 1.00 0.00 H new ATOM 0 HG2 ARG A 54 58.835 -5.219 6.883 1.00 0.00 H new ATOM 0 HG3 ARG A 54 57.913 -6.513 6.143 1.00 0.00 H new ATOM 0 HD2 ARG A 54 57.422 -7.116 8.747 1.00 0.00 H new ATOM 0 HD3 ARG A 54 57.724 -5.401 8.936 1.00 0.00 H new ATOM 0 HE ARG A 54 55.964 -5.555 6.758 1.00 0.00 H new ATOM 0 HH11 ARG A 54 53.719 -5.418 7.069 1.00 0.00 H new ATOM 0 HH12 ARG A 54 53.007 -5.846 8.628 1.00 0.00 H new ATOM 0 HH21 ARG A 54 56.080 -6.637 10.094 1.00 0.00 H new ATOM 0 HH22 ARG A 54 54.332 -6.530 10.326 1.00 0.00 H new ATOM 865 N THR A 55 61.845 -8.554 9.148 1.00 0.00 N ATOM 866 CA THR A 55 63.205 -9.076 9.206 1.00 0.00 C ATOM 867 C THR A 55 63.525 -9.972 8.026 1.00 0.00 C ATOM 868 O THR A 55 62.640 -10.379 7.275 1.00 0.00 O ATOM 869 CB THR A 55 63.438 -9.826 10.512 1.00 0.00 C ATOM 870 OG1 THR A 55 62.658 -11.013 10.531 1.00 0.00 O ATOM 871 CG2 THR A 55 63.041 -8.920 11.667 1.00 0.00 C ATOM 0 H THR A 55 61.118 -9.214 9.426 1.00 0.00 H new ATOM 0 HA THR A 55 63.877 -8.219 9.160 1.00 0.00 H new ATOM 0 HB THR A 55 64.489 -10.101 10.604 1.00 0.00 H new ATOM 0 HG1 THR A 55 62.812 -11.492 11.372 1.00 0.00 H new ATOM 0 HG21 THR A 55 63.202 -9.442 12.610 1.00 0.00 H new ATOM 0 HG22 THR A 55 63.648 -8.015 11.645 1.00 0.00 H new ATOM 0 HG23 THR A 55 61.988 -8.653 11.575 1.00 0.00 H new ATOM 879 N LEU A 56 64.812 -10.264 7.868 1.00 0.00 N ATOM 880 CA LEU A 56 65.259 -11.103 6.773 1.00 0.00 C ATOM 881 C LEU A 56 64.538 -12.445 6.828 1.00 0.00 C ATOM 882 O LEU A 56 64.219 -13.034 5.795 1.00 0.00 O ATOM 883 CB LEU A 56 66.771 -11.349 6.875 1.00 0.00 C ATOM 884 CG LEU A 56 67.567 -10.081 6.526 1.00 0.00 C ATOM 885 CD1 LEU A 56 69.060 -10.369 6.669 1.00 0.00 C ATOM 886 CD2 LEU A 56 67.287 -9.662 5.082 1.00 0.00 C ATOM 0 H LEU A 56 65.556 -9.932 8.482 1.00 0.00 H new ATOM 0 HA LEU A 56 65.036 -10.597 5.834 1.00 0.00 H new ATOM 0 HB2 LEU A 56 67.022 -11.672 7.885 1.00 0.00 H new ATOM 0 HB3 LEU A 56 67.057 -12.157 6.202 1.00 0.00 H new ATOM 0 HG LEU A 56 67.267 -9.280 7.202 1.00 0.00 H new ATOM 0 HD11 LEU A 56 69.629 -9.472 6.422 1.00 0.00 H new ATOM 0 HD12 LEU A 56 69.277 -10.665 7.695 1.00 0.00 H new ATOM 0 HD13 LEU A 56 69.342 -11.175 5.991 1.00 0.00 H new ATOM 0 HD21 LEU A 56 67.857 -8.763 4.847 1.00 0.00 H new ATOM 0 HD22 LEU A 56 67.582 -10.465 4.406 1.00 0.00 H new ATOM 0 HD23 LEU A 56 66.223 -9.459 4.962 1.00 0.00 H new ATOM 898 N SER A 57 64.290 -12.922 8.045 1.00 0.00 N ATOM 899 CA SER A 57 63.609 -14.200 8.228 1.00 0.00 C ATOM 900 C SER A 57 62.137 -14.092 7.838 1.00 0.00 C ATOM 901 O SER A 57 61.563 -15.027 7.281 1.00 0.00 O ATOM 902 CB SER A 57 63.716 -14.643 9.687 1.00 0.00 C ATOM 903 OG SER A 57 62.414 -14.885 10.202 1.00 0.00 O ATOM 0 H SER A 57 64.547 -12.448 8.911 1.00 0.00 H new ATOM 0 HA SER A 57 64.089 -14.937 7.584 1.00 0.00 H new ATOM 0 HB2 SER A 57 64.322 -15.546 9.761 1.00 0.00 H new ATOM 0 HB3 SER A 57 64.215 -13.874 10.277 1.00 0.00 H new ATOM 0 HG SER A 57 62.480 -15.171 11.137 1.00 0.00 H new ATOM 909 N ASP A 58 61.532 -12.947 8.137 1.00 0.00 N ATOM 910 CA ASP A 58 60.124 -12.733 7.817 1.00 0.00 C ATOM 911 C ASP A 58 59.900 -12.751 6.308 1.00 0.00 C ATOM 912 O ASP A 58 58.870 -13.232 5.833 1.00 0.00 O ATOM 913 CB ASP A 58 59.658 -11.392 8.384 1.00 0.00 C ATOM 914 CG ASP A 58 59.869 -11.361 9.894 1.00 0.00 C ATOM 915 OD1 ASP A 58 60.040 -12.422 10.470 1.00 0.00 O ATOM 916 OD2 ASP A 58 59.849 -10.276 10.452 1.00 0.00 O ATOM 0 H ASP A 58 61.989 -12.159 8.596 1.00 0.00 H new ATOM 0 HA ASP A 58 59.547 -13.542 8.266 1.00 0.00 H new ATOM 0 HB2 ASP A 58 60.211 -10.578 7.915 1.00 0.00 H new ATOM 0 HB3 ASP A 58 58.604 -11.237 8.153 1.00 0.00 H new ATOM 921 N TYR A 59 60.863 -12.224 5.560 1.00 0.00 N ATOM 922 CA TYR A 59 60.748 -12.191 4.106 1.00 0.00 C ATOM 923 C TYR A 59 61.254 -13.498 3.512 1.00 0.00 C ATOM 924 O TYR A 59 61.248 -13.685 2.295 1.00 0.00 O ATOM 925 CB TYR A 59 61.549 -11.017 3.538 1.00 0.00 C ATOM 926 CG TYR A 59 60.629 -9.839 3.308 1.00 0.00 C ATOM 927 CD1 TYR A 59 59.595 -9.934 2.369 1.00 0.00 C ATOM 928 CD2 TYR A 59 60.809 -8.655 4.033 1.00 0.00 C ATOM 929 CE1 TYR A 59 58.740 -8.846 2.155 1.00 0.00 C ATOM 930 CE2 TYR A 59 59.953 -7.567 3.820 1.00 0.00 C ATOM 931 CZ TYR A 59 58.919 -7.662 2.882 1.00 0.00 C ATOM 932 OH TYR A 59 58.077 -6.590 2.671 1.00 0.00 O ATOM 0 H TYR A 59 61.722 -11.818 5.930 1.00 0.00 H new ATOM 0 HA TYR A 59 59.698 -12.063 3.842 1.00 0.00 H new ATOM 0 HB2 TYR A 59 62.346 -10.740 4.228 1.00 0.00 H new ATOM 0 HB3 TYR A 59 62.025 -11.308 2.602 1.00 0.00 H new ATOM 0 HD1 TYR A 59 59.457 -10.847 1.809 1.00 0.00 H new ATOM 0 HD2 TYR A 59 61.608 -8.581 4.756 1.00 0.00 H new ATOM 0 HE1 TYR A 59 57.943 -8.920 1.430 1.00 0.00 H new ATOM 0 HE2 TYR A 59 60.091 -6.654 4.380 1.00 0.00 H new ATOM 0 HH TYR A 59 58.176 -5.947 3.404 1.00 0.00 H new ATOM 942 N ASN A 60 61.687 -14.401 4.385 1.00 0.00 N ATOM 943 CA ASN A 60 62.191 -15.695 3.947 1.00 0.00 C ATOM 944 C ASN A 60 63.520 -15.542 3.216 1.00 0.00 C ATOM 945 O ASN A 60 63.963 -16.457 2.520 1.00 0.00 O ATOM 946 CB ASN A 60 61.171 -16.366 3.023 1.00 0.00 C ATOM 947 CG ASN A 60 61.335 -17.881 3.075 1.00 0.00 C ATOM 948 OD1 ASN A 60 62.249 -18.430 2.459 1.00 0.00 O ATOM 949 ND2 ASN A 60 60.494 -18.594 3.772 1.00 0.00 N ATOM 0 H ASN A 60 61.699 -14.261 5.395 1.00 0.00 H new ATOM 0 HA ASN A 60 62.349 -16.316 4.829 1.00 0.00 H new ATOM 0 HB2 ASN A 60 60.160 -16.091 3.324 1.00 0.00 H new ATOM 0 HB3 ASN A 60 61.307 -16.012 2.001 1.00 0.00 H new ATOM 0 HD21 ASN A 60 60.593 -19.609 3.808 1.00 0.00 H new ATOM 0 HD22 ASN A 60 59.738 -18.137 4.281 1.00 0.00 H new ATOM 956 N ILE A 61 64.158 -14.386 3.375 1.00 0.00 N ATOM 957 CA ILE A 61 65.436 -14.143 2.720 1.00 0.00 C ATOM 958 C ILE A 61 66.480 -15.139 3.215 1.00 0.00 C ATOM 959 O ILE A 61 66.483 -15.517 4.385 1.00 0.00 O ATOM 960 CB ILE A 61 65.900 -12.706 2.980 1.00 0.00 C ATOM 961 CG1 ILE A 61 65.153 -11.777 2.013 1.00 0.00 C ATOM 962 CG2 ILE A 61 67.408 -12.598 2.734 1.00 0.00 C ATOM 963 CD1 ILE A 61 65.235 -10.327 2.492 1.00 0.00 C ATOM 0 H ILE A 61 63.815 -13.612 3.945 1.00 0.00 H new ATOM 0 HA ILE A 61 65.311 -14.277 1.646 1.00 0.00 H new ATOM 0 HB ILE A 61 65.690 -12.424 4.012 1.00 0.00 H new ATOM 0 HG12 ILE A 61 65.582 -11.861 1.014 1.00 0.00 H new ATOM 0 HG13 ILE A 61 64.110 -12.083 1.939 1.00 0.00 H new ATOM 0 HG21 ILE A 61 67.735 -11.575 2.920 1.00 0.00 H new ATOM 0 HG22 ILE A 61 67.936 -13.275 3.406 1.00 0.00 H new ATOM 0 HG23 ILE A 61 67.628 -12.867 1.701 1.00 0.00 H new ATOM 0 HD11 ILE A 61 64.700 -9.683 1.794 1.00 0.00 H new ATOM 0 HD12 ILE A 61 64.784 -10.244 3.481 1.00 0.00 H new ATOM 0 HD13 ILE A 61 66.279 -10.019 2.542 1.00 0.00 H new ATOM 975 N GLN A 62 67.351 -15.574 2.311 1.00 0.00 N ATOM 976 CA GLN A 62 68.380 -16.545 2.665 1.00 0.00 C ATOM 977 C GLN A 62 69.655 -15.846 3.121 1.00 0.00 C ATOM 978 O GLN A 62 69.735 -14.618 3.134 1.00 0.00 O ATOM 979 CB GLN A 62 68.691 -17.436 1.461 1.00 0.00 C ATOM 980 CG GLN A 62 67.385 -17.961 0.862 1.00 0.00 C ATOM 981 CD GLN A 62 67.658 -19.221 0.046 1.00 0.00 C ATOM 982 OE1 GLN A 62 68.814 -19.561 -0.203 1.00 0.00 O ATOM 983 NE2 GLN A 62 66.656 -19.938 -0.385 1.00 0.00 N ATOM 0 H GLN A 62 67.366 -15.273 1.336 1.00 0.00 H new ATOM 0 HA GLN A 62 68.004 -17.155 3.487 1.00 0.00 H new ATOM 0 HB2 GLN A 62 69.246 -16.872 0.712 1.00 0.00 H new ATOM 0 HB3 GLN A 62 69.324 -18.269 1.766 1.00 0.00 H new ATOM 0 HG2 GLN A 62 66.672 -18.179 1.657 1.00 0.00 H new ATOM 0 HG3 GLN A 62 66.932 -17.198 0.229 1.00 0.00 H new ATOM 0 HE21 GLN A 62 65.699 -19.654 -0.177 1.00 0.00 H new ATOM 0 HE22 GLN A 62 66.830 -20.783 -0.930 1.00 0.00 H new ATOM 992 N LYS A 63 70.647 -16.644 3.500 1.00 0.00 N ATOM 993 CA LYS A 63 71.917 -16.106 3.968 1.00 0.00 C ATOM 994 C LYS A 63 72.887 -15.922 2.815 1.00 0.00 C ATOM 995 O LYS A 63 73.976 -15.401 3.001 1.00 0.00 O ATOM 996 CB LYS A 63 72.534 -17.050 4.997 1.00 0.00 C ATOM 997 CG LYS A 63 72.631 -18.458 4.404 1.00 0.00 C ATOM 998 CD LYS A 63 71.801 -19.426 5.249 1.00 0.00 C ATOM 999 CE LYS A 63 71.838 -20.818 4.614 1.00 0.00 C ATOM 1000 NZ LYS A 63 71.269 -21.813 5.566 1.00 0.00 N ATOM 0 H LYS A 63 70.596 -17.663 3.492 1.00 0.00 H new ATOM 0 HA LYS A 63 71.725 -15.135 4.424 1.00 0.00 H new ATOM 0 HB2 LYS A 63 73.524 -16.696 5.284 1.00 0.00 H new ATOM 0 HB3 LYS A 63 71.927 -17.066 5.902 1.00 0.00 H new ATOM 0 HG2 LYS A 63 72.271 -18.456 3.375 1.00 0.00 H new ATOM 0 HG3 LYS A 63 73.671 -18.782 4.377 1.00 0.00 H new ATOM 0 HD2 LYS A 63 72.194 -19.467 6.265 1.00 0.00 H new ATOM 0 HD3 LYS A 63 70.772 -19.074 5.319 1.00 0.00 H new ATOM 0 HE2 LYS A 63 71.268 -20.821 3.685 1.00 0.00 H new ATOM 0 HE3 LYS A 63 72.863 -21.087 4.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 71.294 -22.759 5.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 71.830 -21.816 6.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 70.285 -21.559 5.787 1.00 0.00 H new ATOM 1014 N GLU A 64 72.478 -16.358 1.632 1.00 0.00 N ATOM 1015 CA GLU A 64 73.300 -16.240 0.444 1.00 0.00 C ATOM 1016 C GLU A 64 72.523 -15.542 -0.671 1.00 0.00 C ATOM 1017 O GLU A 64 73.056 -15.282 -1.749 1.00 0.00 O ATOM 1018 CB GLU A 64 73.745 -17.627 -0.021 1.00 0.00 C ATOM 1019 CG GLU A 64 75.174 -17.887 0.460 1.00 0.00 C ATOM 1020 CD GLU A 64 75.595 -19.309 0.103 1.00 0.00 C ATOM 1021 OE1 GLU A 64 74.895 -20.229 0.495 1.00 0.00 O ATOM 1022 OE2 GLU A 64 76.615 -19.458 -0.550 1.00 0.00 O ATOM 0 H GLU A 64 71.573 -16.800 1.473 1.00 0.00 H new ATOM 0 HA GLU A 64 74.180 -15.644 0.684 1.00 0.00 H new ATOM 0 HB2 GLU A 64 73.072 -18.389 0.373 1.00 0.00 H new ATOM 0 HB3 GLU A 64 73.698 -17.691 -1.108 1.00 0.00 H new ATOM 0 HG2 GLU A 64 75.856 -17.171 0.002 1.00 0.00 H new ATOM 0 HG3 GLU A 64 75.236 -17.741 1.538 1.00 0.00 H new ATOM 1029 N SER A 65 71.248 -15.270 -0.406 1.00 0.00 N ATOM 1030 CA SER A 65 70.379 -14.630 -1.391 1.00 0.00 C ATOM 1031 C SER A 65 70.986 -13.338 -1.931 1.00 0.00 C ATOM 1032 O SER A 65 71.881 -12.753 -1.322 1.00 0.00 O ATOM 1033 CB SER A 65 69.021 -14.322 -0.760 1.00 0.00 C ATOM 1034 OG SER A 65 68.183 -15.464 -0.870 1.00 0.00 O ATOM 0 H SER A 65 70.793 -15.482 0.482 1.00 0.00 H new ATOM 0 HA SER A 65 70.261 -15.323 -2.224 1.00 0.00 H new ATOM 0 HB2 SER A 65 69.147 -14.049 0.288 1.00 0.00 H new ATOM 0 HB3 SER A 65 68.560 -13.469 -1.259 1.00 0.00 H new ATOM 0 HG SER A 65 67.246 -15.193 -0.769 1.00 0.00 H new ATOM 1040 N THR A 66 70.473 -12.901 -3.077 1.00 0.00 N ATOM 1041 CA THR A 66 70.941 -11.673 -3.711 1.00 0.00 C ATOM 1042 C THR A 66 69.877 -10.584 -3.579 1.00 0.00 C ATOM 1043 O THR A 66 68.746 -10.754 -4.030 1.00 0.00 O ATOM 1044 CB THR A 66 71.229 -11.931 -5.192 1.00 0.00 C ATOM 1045 OG1 THR A 66 71.999 -13.117 -5.323 1.00 0.00 O ATOM 1046 CG2 THR A 66 72.004 -10.749 -5.775 1.00 0.00 C ATOM 0 H THR A 66 69.731 -13.381 -3.587 1.00 0.00 H new ATOM 0 HA THR A 66 71.856 -11.345 -3.218 1.00 0.00 H new ATOM 0 HB THR A 66 70.289 -12.047 -5.731 1.00 0.00 H new ATOM 0 HG1 THR A 66 72.183 -13.285 -6.271 1.00 0.00 H new ATOM 0 HG21 THR A 66 72.209 -10.933 -6.830 1.00 0.00 H new ATOM 0 HG22 THR A 66 71.411 -9.840 -5.674 1.00 0.00 H new ATOM 0 HG23 THR A 66 72.945 -10.630 -5.238 1.00 0.00 H new ATOM 1054 N LEU A 67 70.244 -9.470 -2.952 1.00 0.00 N ATOM 1055 CA LEU A 67 69.308 -8.368 -2.757 1.00 0.00 C ATOM 1056 C LEU A 67 69.603 -7.228 -3.726 1.00 0.00 C ATOM 1057 O LEU A 67 70.746 -7.024 -4.134 1.00 0.00 O ATOM 1058 CB LEU A 67 69.412 -7.847 -1.321 1.00 0.00 C ATOM 1059 CG LEU A 67 68.592 -8.746 -0.393 1.00 0.00 C ATOM 1060 CD1 LEU A 67 69.254 -8.805 0.985 1.00 0.00 C ATOM 1061 CD2 LEU A 67 67.178 -8.177 -0.254 1.00 0.00 C ATOM 0 H LEU A 67 71.177 -9.307 -2.573 1.00 0.00 H new ATOM 0 HA LEU A 67 68.301 -8.739 -2.945 1.00 0.00 H new ATOM 0 HB2 LEU A 67 70.454 -7.832 -1.003 1.00 0.00 H new ATOM 0 HB3 LEU A 67 69.047 -6.821 -1.267 1.00 0.00 H new ATOM 0 HG LEU A 67 68.543 -9.751 -0.813 1.00 0.00 H new ATOM 0 HD11 LEU A 67 68.668 -9.446 1.643 1.00 0.00 H new ATOM 0 HD12 LEU A 67 70.261 -9.210 0.888 1.00 0.00 H new ATOM 0 HD13 LEU A 67 69.305 -7.801 1.407 1.00 0.00 H new ATOM 0 HD21 LEU A 67 66.592 -8.816 0.407 1.00 0.00 H new ATOM 0 HD22 LEU A 67 67.230 -7.172 0.165 1.00 0.00 H new ATOM 0 HD23 LEU A 67 66.704 -8.137 -1.235 1.00 0.00 H new ATOM 1073 N HIS A 68 68.561 -6.481 -4.085 1.00 0.00 N ATOM 1074 CA HIS A 68 68.718 -5.356 -5.000 1.00 0.00 C ATOM 1075 C HIS A 68 68.695 -4.043 -4.224 1.00 0.00 C ATOM 1076 O HIS A 68 67.717 -3.732 -3.545 1.00 0.00 O ATOM 1077 CB HIS A 68 67.597 -5.358 -6.037 1.00 0.00 C ATOM 1078 CG HIS A 68 67.686 -6.613 -6.854 1.00 0.00 C ATOM 1079 ND1 HIS A 68 66.940 -7.742 -6.552 1.00 0.00 N ATOM 1080 CD2 HIS A 68 68.436 -6.942 -7.955 1.00 0.00 C ATOM 1081 CE1 HIS A 68 67.255 -8.688 -7.455 1.00 0.00 C ATOM 1082 NE2 HIS A 68 68.161 -8.253 -8.334 1.00 0.00 N ATOM 0 H HIS A 68 67.607 -6.634 -3.759 1.00 0.00 H new ATOM 0 HA HIS A 68 69.676 -5.455 -5.511 1.00 0.00 H new ATOM 0 HB2 HIS A 68 66.627 -5.299 -5.543 1.00 0.00 H new ATOM 0 HB3 HIS A 68 67.680 -4.483 -6.682 1.00 0.00 H new ATOM 0 HD2 HIS A 68 69.134 -6.284 -8.452 1.00 0.00 H new ATOM 0 HE1 HIS A 68 66.827 -9.679 -7.467 1.00 0.00 H new ATOM 0 HE2 HIS A 68 68.565 -8.770 -9.115 1.00 0.00 H new ATOM 1090 N LEU A 69 69.778 -3.280 -4.322 1.00 0.00 N ATOM 1091 CA LEU A 69 69.867 -2.009 -3.616 1.00 0.00 C ATOM 1092 C LEU A 69 69.521 -0.849 -4.546 1.00 0.00 C ATOM 1093 O LEU A 69 70.269 -0.540 -5.474 1.00 0.00 O ATOM 1094 CB LEU A 69 71.284 -1.831 -3.055 1.00 0.00 C ATOM 1095 CG LEU A 69 71.479 -0.406 -2.524 1.00 0.00 C ATOM 1096 CD1 LEU A 69 70.326 -0.034 -1.590 1.00 0.00 C ATOM 1097 CD2 LEU A 69 72.797 -0.334 -1.751 1.00 0.00 C ATOM 0 H LEU A 69 70.599 -3.517 -4.878 1.00 0.00 H new ATOM 0 HA LEU A 69 69.150 -2.013 -2.795 1.00 0.00 H new ATOM 0 HB2 LEU A 69 71.457 -2.550 -2.254 1.00 0.00 H new ATOM 0 HB3 LEU A 69 72.018 -2.038 -3.834 1.00 0.00 H new ATOM 0 HG LEU A 69 71.500 0.290 -3.362 1.00 0.00 H new ATOM 0 HD11 LEU A 69 70.472 0.980 -1.217 1.00 0.00 H new ATOM 0 HD12 LEU A 69 69.384 -0.088 -2.136 1.00 0.00 H new ATOM 0 HD13 LEU A 69 70.299 -0.729 -0.751 1.00 0.00 H new ATOM 0 HD21 LEU A 69 72.941 0.677 -1.371 1.00 0.00 H new ATOM 0 HD22 LEU A 69 72.768 -1.035 -0.916 1.00 0.00 H new ATOM 0 HD23 LEU A 69 73.622 -0.593 -2.414 1.00 0.00 H new ATOM 1109 N VAL A 70 68.383 -0.211 -4.282 1.00 0.00 N ATOM 1110 CA VAL A 70 67.934 0.919 -5.089 1.00 0.00 C ATOM 1111 C VAL A 70 67.844 2.176 -4.228 1.00 0.00 C ATOM 1112 O VAL A 70 67.507 2.105 -3.047 1.00 0.00 O ATOM 1113 CB VAL A 70 66.562 0.615 -5.696 1.00 0.00 C ATOM 1114 CG1 VAL A 70 66.377 1.427 -6.979 1.00 0.00 C ATOM 1115 CG2 VAL A 70 66.466 -0.877 -6.019 1.00 0.00 C ATOM 0 H VAL A 70 67.756 -0.458 -3.516 1.00 0.00 H new ATOM 0 HA VAL A 70 68.654 1.085 -5.890 1.00 0.00 H new ATOM 0 HB VAL A 70 65.783 0.884 -4.982 1.00 0.00 H new ATOM 0 HG11 VAL A 70 65.400 1.209 -7.410 1.00 0.00 H new ATOM 0 HG12 VAL A 70 66.444 2.490 -6.749 1.00 0.00 H new ATOM 0 HG13 VAL A 70 67.156 1.161 -7.694 1.00 0.00 H new ATOM 0 HG21 VAL A 70 65.489 -1.094 -6.451 1.00 0.00 H new ATOM 0 HG22 VAL A 70 67.246 -1.146 -6.732 1.00 0.00 H new ATOM 0 HG23 VAL A 70 66.595 -1.456 -5.105 1.00 0.00 H new ATOM 1125 N LEU A 71 68.150 3.323 -4.824 1.00 0.00 N ATOM 1126 CA LEU A 71 68.101 4.585 -4.092 1.00 0.00 C ATOM 1127 C LEU A 71 66.805 5.332 -4.391 1.00 0.00 C ATOM 1128 O LEU A 71 66.461 5.562 -5.549 1.00 0.00 O ATOM 1129 CB LEU A 71 69.296 5.459 -4.479 1.00 0.00 C ATOM 1130 CG LEU A 71 70.569 4.611 -4.488 1.00 0.00 C ATOM 1131 CD1 LEU A 71 71.783 5.515 -4.714 1.00 0.00 C ATOM 1132 CD2 LEU A 71 70.713 3.894 -3.143 1.00 0.00 C ATOM 0 H LEU A 71 68.432 3.406 -5.801 1.00 0.00 H new ATOM 0 HA LEU A 71 68.140 4.365 -3.025 1.00 0.00 H new ATOM 0 HB2 LEU A 71 69.134 5.900 -5.462 1.00 0.00 H new ATOM 0 HB3 LEU A 71 69.401 6.283 -3.773 1.00 0.00 H new ATOM 0 HG LEU A 71 70.509 3.875 -5.290 1.00 0.00 H new ATOM 0 HD11 LEU A 71 72.690 4.911 -4.720 1.00 0.00 H new ATOM 0 HD12 LEU A 71 71.682 6.028 -5.670 1.00 0.00 H new ATOM 0 HD13 LEU A 71 71.843 6.251 -3.912 1.00 0.00 H new ATOM 0 HD21 LEU A 71 71.620 3.289 -3.148 1.00 0.00 H new ATOM 0 HD22 LEU A 71 70.773 4.631 -2.342 1.00 0.00 H new ATOM 0 HD23 LEU A 71 69.849 3.250 -2.979 1.00 0.00 H new