USER MOD reduce.3.24.130724 H: found=0, std=0, add=497, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 497 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 49 ASN : amide:sc= 0 K(o=-2.5,f=-3.3) USER MOD Set 1.2: A 53 ASN :FLIP amide:sc= -2.5! C(o=-3.8!,f=-2.5!) USER MOD Single : A 5 THR OG1 : rot 41:sc= 0.809 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -0.0052 X(o=-0.0052,f=-0.0052) USER MOD Single : A 24 ASN : amide:sc= -0.046 K(o=-0.046,f=-1.3) USER MOD Single : A 26 SER OG : rot 45:sc= 0.0116 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= -0.798 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl -126:sc= -4.86! (180deg=-6.16!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot -67:sc= 1.09 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl -157:sc= -7.47! (180deg=-8.17!) USER MOD Single : A 60 ASN : amide:sc= -0.0493 X(o=-0.049,f=-0.049) USER MOD Single : A 61 HIS : no HE2:sc= -14.1! C(o=-14!,f=-14!) USER MOD Single : A 62 GLN : amide:sc= -0.144 K(o=-0.14,f=-2.3) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl -112:sc= -0.013 (180deg=-0.257) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 58 N THR A 5 -10.276 -8.103 -14.397 1.00 0.00 N ATOM 59 CA THR A 5 -11.270 -9.208 -14.272 1.00 0.00 C ATOM 60 C THR A 5 -11.137 -9.887 -12.905 1.00 0.00 C ATOM 61 O THR A 5 -10.406 -9.435 -12.046 1.00 0.00 O ATOM 62 CB THR A 5 -10.921 -10.187 -15.393 1.00 0.00 C ATOM 63 OG1 THR A 5 -10.111 -9.530 -16.358 1.00 0.00 O ATOM 64 CG2 THR A 5 -12.206 -10.685 -16.057 1.00 0.00 C ATOM 0 HA THR A 5 -12.296 -8.850 -14.351 1.00 0.00 H new ATOM 0 HB THR A 5 -10.377 -11.036 -14.978 1.00 0.00 H new ATOM 0 HG1 THR A 5 -9.456 -8.961 -15.902 1.00 0.00 H new ATOM 0 HG21 THR A 5 -11.956 -11.383 -16.856 1.00 0.00 H new ATOM 0 HG22 THR A 5 -12.827 -11.189 -15.316 1.00 0.00 H new ATOM 0 HG23 THR A 5 -12.752 -9.838 -16.473 1.00 0.00 H new ATOM 72 N GLU A 6 -11.838 -10.968 -12.699 1.00 0.00 N ATOM 73 CA GLU A 6 -11.751 -11.674 -11.389 1.00 0.00 C ATOM 74 C GLU A 6 -10.301 -12.067 -11.094 1.00 0.00 C ATOM 75 O GLU A 6 -9.657 -11.499 -10.236 1.00 0.00 O ATOM 76 CB GLU A 6 -12.622 -12.921 -11.552 1.00 0.00 C ATOM 77 CG GLU A 6 -14.078 -12.572 -11.238 1.00 0.00 C ATOM 78 CD GLU A 6 -14.932 -13.839 -11.302 1.00 0.00 C ATOM 79 OE1 GLU A 6 -14.733 -14.707 -10.467 1.00 0.00 O ATOM 80 OE2 GLU A 6 -15.770 -13.921 -12.184 1.00 0.00 O ATOM 0 H GLU A 6 -12.467 -11.393 -13.380 1.00 0.00 H new ATOM 0 HA GLU A 6 -12.085 -11.049 -10.561 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -12.540 -13.304 -12.569 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -12.274 -13.710 -10.885 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -14.150 -12.122 -10.248 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -14.448 -11.835 -11.951 1.00 0.00 H new ATOM 87 N GLU A 7 -9.783 -13.034 -11.801 1.00 0.00 N ATOM 88 CA GLU A 7 -8.374 -13.461 -11.559 1.00 0.00 C ATOM 89 C GLU A 7 -7.475 -12.236 -11.381 1.00 0.00 C ATOM 90 O GLU A 7 -6.652 -12.182 -10.490 1.00 0.00 O ATOM 91 CB GLU A 7 -7.976 -14.241 -12.812 1.00 0.00 C ATOM 92 CG GLU A 7 -8.564 -15.652 -12.744 1.00 0.00 C ATOM 93 CD GLU A 7 -7.600 -16.640 -13.405 1.00 0.00 C ATOM 94 OE1 GLU A 7 -6.730 -16.190 -14.133 1.00 0.00 O ATOM 95 OE2 GLU A 7 -7.746 -17.828 -13.170 1.00 0.00 O ATOM 0 H GLU A 7 -10.273 -13.546 -12.534 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.273 -14.063 -10.656 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -8.338 -13.728 -13.703 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -6.890 -14.292 -12.892 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -8.737 -15.936 -11.706 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.531 -15.679 -13.247 1.00 0.00 H new ATOM 102 N GLN A 8 -7.628 -11.249 -12.221 1.00 0.00 N ATOM 103 CA GLN A 8 -6.782 -10.027 -12.096 1.00 0.00 C ATOM 104 C GLN A 8 -6.851 -9.488 -10.665 1.00 0.00 C ATOM 105 O GLN A 8 -5.876 -9.500 -9.940 1.00 0.00 O ATOM 106 CB GLN A 8 -7.387 -9.023 -13.078 1.00 0.00 C ATOM 107 CG GLN A 8 -6.272 -8.171 -13.687 1.00 0.00 C ATOM 108 CD GLN A 8 -5.723 -8.863 -14.936 1.00 0.00 C ATOM 109 OE1 GLN A 8 -4.775 -9.617 -14.858 1.00 0.00 O ATOM 110 NE2 GLN A 8 -6.284 -8.634 -16.092 1.00 0.00 N ATOM 0 H GLN A 8 -8.301 -11.235 -12.987 1.00 0.00 H new ATOM 0 HA GLN A 8 -5.732 -10.224 -12.314 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -7.929 -9.548 -13.864 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -8.108 -8.386 -12.566 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -6.654 -7.183 -13.944 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -5.474 -8.024 -12.959 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -7.081 -8.000 -16.156 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -5.926 -9.089 -16.932 1.00 0.00 H new ATOM 119 N ILE A 9 -7.997 -9.019 -10.251 1.00 0.00 N ATOM 120 CA ILE A 9 -8.126 -8.486 -8.865 1.00 0.00 C ATOM 121 C ILE A 9 -7.472 -9.449 -7.872 1.00 0.00 C ATOM 122 O ILE A 9 -6.899 -9.042 -6.882 1.00 0.00 O ATOM 123 CB ILE A 9 -9.631 -8.395 -8.614 1.00 0.00 C ATOM 124 CG1 ILE A 9 -10.252 -7.399 -9.595 1.00 0.00 C ATOM 125 CG2 ILE A 9 -9.882 -7.920 -7.181 1.00 0.00 C ATOM 126 CD1 ILE A 9 -11.738 -7.226 -9.278 1.00 0.00 C ATOM 0 H ILE A 9 -8.848 -8.982 -10.812 1.00 0.00 H new ATOM 0 HA ILE A 9 -7.636 -7.520 -8.743 1.00 0.00 H new ATOM 0 HB ILE A 9 -10.082 -9.377 -8.756 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -9.741 -6.439 -9.526 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -10.127 -7.754 -10.618 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -10.955 -7.855 -7.002 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -9.439 -8.628 -6.480 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -9.430 -6.938 -7.039 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -12.179 -6.516 -9.978 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -12.244 -8.187 -9.369 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -11.852 -6.851 -8.261 1.00 0.00 H new ATOM 138 N ALA A 10 -7.555 -10.725 -8.132 1.00 0.00 N ATOM 139 CA ALA A 10 -6.939 -11.717 -7.207 1.00 0.00 C ATOM 140 C ALA A 10 -5.416 -11.558 -7.201 1.00 0.00 C ATOM 141 O ALA A 10 -4.794 -11.482 -6.161 1.00 0.00 O ATOM 142 CB ALA A 10 -7.334 -13.083 -7.771 1.00 0.00 C ATOM 0 H ALA A 10 -8.023 -11.123 -8.946 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.276 -11.588 -6.178 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -6.917 -13.870 -7.143 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.420 -13.169 -7.788 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.946 -13.184 -8.785 1.00 0.00 H new ATOM 148 N GLU A 11 -4.813 -11.505 -8.358 1.00 0.00 N ATOM 149 CA GLU A 11 -3.331 -11.348 -8.417 1.00 0.00 C ATOM 150 C GLU A 11 -2.910 -10.051 -7.722 1.00 0.00 C ATOM 151 O GLU A 11 -1.844 -9.962 -7.145 1.00 0.00 O ATOM 152 CB GLU A 11 -2.999 -11.290 -9.909 1.00 0.00 C ATOM 153 CG GLU A 11 -2.615 -12.686 -10.402 1.00 0.00 C ATOM 154 CD GLU A 11 -2.823 -12.770 -11.916 1.00 0.00 C ATOM 155 OE1 GLU A 11 -3.962 -12.671 -12.343 1.00 0.00 O ATOM 156 OE2 GLU A 11 -1.841 -12.930 -12.620 1.00 0.00 O ATOM 0 H GLU A 11 -5.281 -11.563 -9.263 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.808 -12.162 -7.915 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.857 -10.919 -10.469 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -2.179 -10.593 -10.083 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -1.574 -12.896 -10.155 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.221 -13.440 -9.899 1.00 0.00 H new ATOM 163 N PHE A 12 -3.742 -9.046 -7.768 1.00 0.00 N ATOM 164 CA PHE A 12 -3.389 -7.757 -7.106 1.00 0.00 C ATOM 165 C PHE A 12 -3.390 -7.932 -5.586 1.00 0.00 C ATOM 166 O PHE A 12 -2.509 -7.460 -4.896 1.00 0.00 O ATOM 167 CB PHE A 12 -4.480 -6.776 -7.535 1.00 0.00 C ATOM 168 CG PHE A 12 -4.190 -6.272 -8.929 1.00 0.00 C ATOM 169 CD1 PHE A 12 -4.080 -7.175 -9.993 1.00 0.00 C ATOM 170 CD2 PHE A 12 -4.032 -4.900 -9.157 1.00 0.00 C ATOM 171 CE1 PHE A 12 -3.813 -6.705 -11.285 1.00 0.00 C ATOM 172 CE2 PHE A 12 -3.764 -4.430 -10.448 1.00 0.00 C ATOM 173 CZ PHE A 12 -3.655 -5.332 -11.512 1.00 0.00 C ATOM 0 H PHE A 12 -4.649 -9.061 -8.234 1.00 0.00 H new ATOM 0 HA PHE A 12 -2.396 -7.405 -7.387 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -5.454 -7.266 -7.510 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -4.526 -5.940 -6.837 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -4.201 -8.234 -9.818 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -4.117 -4.203 -8.336 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -3.729 -7.401 -12.106 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.641 -3.371 -10.623 1.00 0.00 H new ATOM 0 HZ PHE A 12 -3.449 -4.970 -12.508 1.00 0.00 H new ATOM 183 N LYS A 13 -4.374 -8.610 -5.059 1.00 0.00 N ATOM 184 CA LYS A 13 -4.429 -8.817 -3.584 1.00 0.00 C ATOM 185 C LYS A 13 -3.169 -9.544 -3.110 1.00 0.00 C ATOM 186 O LYS A 13 -2.452 -9.068 -2.251 1.00 0.00 O ATOM 187 CB LYS A 13 -5.668 -9.681 -3.350 1.00 0.00 C ATOM 188 CG LYS A 13 -5.998 -9.708 -1.857 1.00 0.00 C ATOM 189 CD LYS A 13 -7.517 -9.724 -1.670 1.00 0.00 C ATOM 190 CE LYS A 13 -7.850 -9.581 -0.183 1.00 0.00 C ATOM 191 NZ LYS A 13 -8.419 -10.900 0.213 1.00 0.00 N ATOM 0 H LYS A 13 -5.141 -9.029 -5.586 1.00 0.00 H new ATOM 0 HA LYS A 13 -4.481 -7.877 -3.035 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -6.513 -9.284 -3.913 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.492 -10.694 -3.712 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -5.554 -10.588 -1.392 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -5.569 -8.836 -1.363 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -7.972 -8.911 -2.235 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -7.932 -10.654 -2.059 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -6.960 -9.344 0.400 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.565 -8.776 -0.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -8.672 -10.880 1.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -9.269 -11.096 -0.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -7.714 -11.646 0.048 1.00 0.00 H new ATOM 205 N GLU A 14 -2.889 -10.691 -3.667 1.00 0.00 N ATOM 206 CA GLU A 14 -1.672 -11.442 -3.250 1.00 0.00 C ATOM 207 C GLU A 14 -0.450 -10.521 -3.294 1.00 0.00 C ATOM 208 O GLU A 14 0.392 -10.549 -2.418 1.00 0.00 O ATOM 209 CB GLU A 14 -1.532 -12.570 -4.273 1.00 0.00 C ATOM 210 CG GLU A 14 -2.070 -13.871 -3.675 1.00 0.00 C ATOM 211 CD GLU A 14 -1.273 -15.055 -4.227 1.00 0.00 C ATOM 212 OE1 GLU A 14 -1.186 -15.173 -5.438 1.00 0.00 O ATOM 213 OE2 GLU A 14 -0.763 -15.824 -3.428 1.00 0.00 O ATOM 0 H GLU A 14 -3.450 -11.139 -4.392 1.00 0.00 H new ATOM 0 HA GLU A 14 -1.748 -11.825 -2.232 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.080 -12.321 -5.182 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.486 -12.692 -4.555 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -1.994 -13.843 -2.588 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -3.126 -13.985 -3.918 1.00 0.00 H new ATOM 220 N ALA A 15 -0.349 -9.703 -4.305 1.00 0.00 N ATOM 221 CA ALA A 15 0.815 -8.777 -4.404 1.00 0.00 C ATOM 222 C ALA A 15 0.756 -7.737 -3.281 1.00 0.00 C ATOM 223 O ALA A 15 1.545 -7.761 -2.359 1.00 0.00 O ATOM 224 CB ALA A 15 0.669 -8.103 -5.768 1.00 0.00 C ATOM 0 H ALA A 15 -1.023 -9.635 -5.068 1.00 0.00 H new ATOM 0 HA ALA A 15 1.768 -9.297 -4.307 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.491 -7.403 -5.918 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.689 -8.860 -6.552 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -0.278 -7.565 -5.808 1.00 0.00 H new ATOM 230 N PHE A 16 -0.175 -6.826 -3.355 1.00 0.00 N ATOM 231 CA PHE A 16 -0.291 -5.783 -2.295 1.00 0.00 C ATOM 232 C PHE A 16 -0.084 -6.406 -0.910 1.00 0.00 C ATOM 233 O PHE A 16 0.696 -5.924 -0.113 1.00 0.00 O ATOM 234 CB PHE A 16 -1.714 -5.244 -2.434 1.00 0.00 C ATOM 235 CG PHE A 16 -1.917 -4.093 -1.479 1.00 0.00 C ATOM 236 CD1 PHE A 16 -1.527 -2.799 -1.849 1.00 0.00 C ATOM 237 CD2 PHE A 16 -2.498 -4.317 -0.227 1.00 0.00 C ATOM 238 CE1 PHE A 16 -1.719 -1.731 -0.965 1.00 0.00 C ATOM 239 CE2 PHE A 16 -2.690 -3.249 0.658 1.00 0.00 C ATOM 240 CZ PHE A 16 -2.301 -1.956 0.289 1.00 0.00 C ATOM 0 H PHE A 16 -0.862 -6.758 -4.105 1.00 0.00 H new ATOM 0 HA PHE A 16 0.458 -4.998 -2.401 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.890 -4.915 -3.458 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.435 -6.034 -2.225 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -1.078 -2.626 -2.816 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -2.799 -5.314 0.058 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.418 -0.734 -1.250 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -3.138 -3.423 1.625 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.450 -1.132 0.971 1.00 0.00 H new ATOM 250 N ALA A 17 -0.780 -7.471 -0.619 1.00 0.00 N ATOM 251 CA ALA A 17 -0.626 -8.120 0.715 1.00 0.00 C ATOM 252 C ALA A 17 0.765 -8.751 0.846 1.00 0.00 C ATOM 253 O ALA A 17 1.274 -8.932 1.934 1.00 0.00 O ATOM 254 CB ALA A 17 -1.709 -9.199 0.757 1.00 0.00 C ATOM 0 H ALA A 17 -1.448 -7.920 -1.246 1.00 0.00 H new ATOM 0 HA ALA A 17 -0.726 -7.406 1.533 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.662 -9.725 1.711 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.689 -8.735 0.646 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.549 -9.907 -0.056 1.00 0.00 H new ATOM 260 N LEU A 18 1.382 -9.091 -0.253 1.00 0.00 N ATOM 261 CA LEU A 18 2.736 -9.712 -0.183 1.00 0.00 C ATOM 262 C LEU A 18 3.717 -8.772 0.524 1.00 0.00 C ATOM 263 O LEU A 18 4.716 -9.198 1.068 1.00 0.00 O ATOM 264 CB LEU A 18 3.153 -9.924 -1.639 1.00 0.00 C ATOM 265 CG LEU A 18 3.599 -11.374 -1.836 1.00 0.00 C ATOM 266 CD1 LEU A 18 3.581 -11.715 -3.327 1.00 0.00 C ATOM 267 CD2 LEU A 18 5.017 -11.549 -1.291 1.00 0.00 C ATOM 0 H LEU A 18 1.009 -8.966 -1.194 1.00 0.00 H new ATOM 0 HA LEU A 18 2.731 -10.646 0.380 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.320 -9.695 -2.304 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.965 -9.244 -1.899 1.00 0.00 H new ATOM 0 HG LEU A 18 2.919 -12.039 -1.303 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.899 -12.748 -3.468 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.571 -11.590 -3.717 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.261 -11.050 -3.860 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.336 -12.582 -1.431 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.696 -10.884 -1.824 1.00 0.00 H new ATOM 0 HD23 LEU A 18 5.031 -11.306 -0.229 1.00 0.00 H new ATOM 279 N PHE A 19 3.441 -7.496 0.522 1.00 0.00 N ATOM 280 CA PHE A 19 4.360 -6.535 1.196 1.00 0.00 C ATOM 281 C PHE A 19 3.630 -5.809 2.331 1.00 0.00 C ATOM 282 O PHE A 19 4.110 -4.830 2.864 1.00 0.00 O ATOM 283 CB PHE A 19 4.771 -5.546 0.105 1.00 0.00 C ATOM 284 CG PHE A 19 5.156 -6.302 -1.142 1.00 0.00 C ATOM 285 CD1 PHE A 19 4.168 -6.713 -2.044 1.00 0.00 C ATOM 286 CD2 PHE A 19 6.501 -6.592 -1.400 1.00 0.00 C ATOM 287 CE1 PHE A 19 4.523 -7.413 -3.202 1.00 0.00 C ATOM 288 CE2 PHE A 19 6.858 -7.293 -2.558 1.00 0.00 C ATOM 289 CZ PHE A 19 5.868 -7.703 -3.460 1.00 0.00 C ATOM 0 H PHE A 19 2.620 -7.078 0.084 1.00 0.00 H new ATOM 0 HA PHE A 19 5.222 -7.033 1.641 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.949 -4.864 -0.110 1.00 0.00 H new ATOM 0 HB3 PHE A 19 5.608 -4.938 0.447 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.130 -6.489 -1.846 1.00 0.00 H new ATOM 0 HD2 PHE A 19 7.264 -6.275 -0.705 1.00 0.00 H new ATOM 0 HE1 PHE A 19 3.759 -7.730 -3.897 1.00 0.00 H new ATOM 0 HE2 PHE A 19 7.896 -7.517 -2.756 1.00 0.00 H new ATOM 0 HZ PHE A 19 6.142 -8.243 -4.354 1.00 0.00 H new ATOM 299 N ASP A 20 2.472 -6.285 2.703 1.00 0.00 N ATOM 300 CA ASP A 20 1.714 -5.622 3.803 1.00 0.00 C ATOM 301 C ASP A 20 2.293 -6.023 5.161 1.00 0.00 C ATOM 302 O ASP A 20 2.036 -7.100 5.664 1.00 0.00 O ATOM 303 CB ASP A 20 0.281 -6.132 3.658 1.00 0.00 C ATOM 304 CG ASP A 20 -0.665 -5.234 4.457 1.00 0.00 C ATOM 305 OD1 ASP A 20 -0.204 -4.614 5.402 1.00 0.00 O ATOM 306 OD2 ASP A 20 -1.832 -5.180 4.109 1.00 0.00 O ATOM 0 H ASP A 20 2.019 -7.102 2.294 1.00 0.00 H new ATOM 0 HA ASP A 20 1.767 -4.535 3.745 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -0.009 -6.139 2.607 1.00 0.00 H new ATOM 0 HB3 ASP A 20 0.212 -7.160 4.015 1.00 0.00 H new ATOM 311 N LYS A 21 3.074 -5.168 5.760 1.00 0.00 N ATOM 312 CA LYS A 21 3.670 -5.501 7.087 1.00 0.00 C ATOM 313 C LYS A 21 2.564 -5.702 8.126 1.00 0.00 C ATOM 314 O LYS A 21 2.589 -6.639 8.900 1.00 0.00 O ATOM 315 CB LYS A 21 4.533 -4.292 7.448 1.00 0.00 C ATOM 316 CG LYS A 21 5.687 -4.740 8.348 1.00 0.00 C ATOM 317 CD LYS A 21 6.959 -3.980 7.964 1.00 0.00 C ATOM 318 CE LYS A 21 7.402 -3.101 9.136 1.00 0.00 C ATOM 319 NZ LYS A 21 7.155 -1.704 8.684 1.00 0.00 N ATOM 0 H LYS A 21 3.326 -4.252 5.389 1.00 0.00 H new ATOM 0 HA LYS A 21 4.252 -6.422 7.060 1.00 0.00 H new ATOM 0 HB2 LYS A 21 4.923 -3.827 6.543 1.00 0.00 H new ATOM 0 HB3 LYS A 21 3.930 -3.541 7.958 1.00 0.00 H new ATOM 0 HG2 LYS A 21 5.441 -4.553 9.393 1.00 0.00 H new ATOM 0 HG3 LYS A 21 5.847 -5.813 8.245 1.00 0.00 H new ATOM 0 HD2 LYS A 21 7.750 -4.683 7.703 1.00 0.00 H new ATOM 0 HD3 LYS A 21 6.776 -3.365 7.083 1.00 0.00 H new ATOM 0 HE2 LYS A 21 6.835 -3.330 10.038 1.00 0.00 H new ATOM 0 HE3 LYS A 21 8.454 -3.259 9.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 7.435 -1.041 9.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 7.713 -1.512 7.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 6.144 -1.581 8.473 1.00 0.00 H new ATOM 333 N ASP A 22 1.593 -4.829 8.151 1.00 0.00 N ATOM 334 CA ASP A 22 0.488 -4.971 9.142 1.00 0.00 C ATOM 335 C ASP A 22 -0.384 -6.180 8.791 1.00 0.00 C ATOM 336 O ASP A 22 -1.142 -6.668 9.605 1.00 0.00 O ATOM 337 CB ASP A 22 -0.316 -3.677 9.024 1.00 0.00 C ATOM 338 CG ASP A 22 0.369 -2.573 9.833 1.00 0.00 C ATOM 339 OD1 ASP A 22 1.514 -2.765 10.206 1.00 0.00 O ATOM 340 OD2 ASP A 22 -0.263 -1.556 10.065 1.00 0.00 O ATOM 0 H ASP A 22 1.517 -4.024 7.529 1.00 0.00 H new ATOM 0 HA ASP A 22 0.858 -5.130 10.155 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.395 -3.380 7.978 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.331 -3.833 9.389 1.00 0.00 H new ATOM 345 N ASN A 23 -0.283 -6.666 7.584 1.00 0.00 N ATOM 346 CA ASN A 23 -1.106 -7.843 7.183 1.00 0.00 C ATOM 347 C ASN A 23 -2.593 -7.540 7.380 1.00 0.00 C ATOM 348 O ASN A 23 -3.413 -8.432 7.467 1.00 0.00 O ATOM 349 CB ASN A 23 -0.661 -8.973 8.112 1.00 0.00 C ATOM 350 CG ASN A 23 -0.983 -10.322 7.466 1.00 0.00 C ATOM 351 OD1 ASN A 23 -0.307 -10.747 6.550 1.00 0.00 O ATOM 352 ND2 ASN A 23 -1.994 -11.018 7.909 1.00 0.00 N ATOM 0 H ASN A 23 0.333 -6.300 6.858 1.00 0.00 H new ATOM 0 HA ASN A 23 -0.972 -8.102 6.133 1.00 0.00 H new ATOM 0 HB2 ASN A 23 0.409 -8.897 8.307 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -1.167 -8.888 9.074 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -2.217 -11.919 7.486 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -2.561 -10.661 8.678 1.00 0.00 H new ATOM 359 N ASN A 24 -2.948 -6.285 7.452 1.00 0.00 N ATOM 360 CA ASN A 24 -4.383 -5.927 7.643 1.00 0.00 C ATOM 361 C ASN A 24 -4.982 -5.424 6.327 1.00 0.00 C ATOM 362 O ASN A 24 -6.148 -5.085 6.254 1.00 0.00 O ATOM 363 CB ASN A 24 -4.376 -4.812 8.689 1.00 0.00 C ATOM 364 CG ASN A 24 -3.948 -5.384 10.042 1.00 0.00 C ATOM 365 OD1 ASN A 24 -4.144 -6.553 10.311 1.00 0.00 O ATOM 366 ND2 ASN A 24 -3.366 -4.604 10.912 1.00 0.00 N ATOM 0 H ASN A 24 -2.308 -5.494 7.387 1.00 0.00 H new ATOM 0 HA ASN A 24 -4.983 -6.780 7.960 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -3.693 -4.018 8.385 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -5.368 -4.367 8.768 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -3.076 -4.976 11.817 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -3.201 -3.623 10.687 1.00 0.00 H new ATOM 373 N GLY A 25 -4.197 -5.374 5.286 1.00 0.00 N ATOM 374 CA GLY A 25 -4.723 -4.894 3.978 1.00 0.00 C ATOM 375 C GLY A 25 -4.210 -3.478 3.708 1.00 0.00 C ATOM 376 O GLY A 25 -4.808 -2.720 2.971 1.00 0.00 O ATOM 0 H GLY A 25 -3.214 -5.645 5.285 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.407 -5.565 3.179 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.813 -4.901 3.988 1.00 0.00 H new ATOM 380 N SER A 26 -3.105 -3.115 4.301 1.00 0.00 N ATOM 381 CA SER A 26 -2.555 -1.747 4.078 1.00 0.00 C ATOM 382 C SER A 26 -1.027 -1.799 3.992 1.00 0.00 C ATOM 383 O SER A 26 -0.366 -2.349 4.851 1.00 0.00 O ATOM 384 CB SER A 26 -2.995 -0.939 5.297 1.00 0.00 C ATOM 385 OG SER A 26 -2.916 -1.758 6.457 1.00 0.00 O ATOM 0 H SER A 26 -2.560 -3.705 4.929 1.00 0.00 H new ATOM 0 HA SER A 26 -2.911 -1.306 3.147 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.360 -0.061 5.414 1.00 0.00 H new ATOM 0 HB3 SER A 26 -4.015 -0.579 5.160 1.00 0.00 H new ATOM 0 HG SER A 26 -2.073 -2.257 6.448 1.00 0.00 H new ATOM 391 N ILE A 27 -0.461 -1.232 2.962 1.00 0.00 N ATOM 392 CA ILE A 27 1.023 -1.251 2.823 1.00 0.00 C ATOM 393 C ILE A 27 1.566 0.179 2.746 1.00 0.00 C ATOM 394 O ILE A 27 0.821 1.132 2.636 1.00 0.00 O ATOM 395 CB ILE A 27 1.290 -1.996 1.513 1.00 0.00 C ATOM 396 CG1 ILE A 27 0.948 -1.088 0.328 1.00 0.00 C ATOM 397 CG2 ILE A 27 0.421 -3.254 1.455 1.00 0.00 C ATOM 398 CD1 ILE A 27 1.156 -1.852 -0.981 1.00 0.00 C ATOM 0 H ILE A 27 -0.962 -0.757 2.211 1.00 0.00 H new ATOM 0 HA ILE A 27 1.510 -1.731 3.672 1.00 0.00 H new ATOM 0 HB ILE A 27 2.342 -2.276 1.465 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.085 -0.749 0.403 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.577 -0.198 0.345 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.611 -3.785 0.522 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.663 -3.902 2.297 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -0.631 -2.972 1.504 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.912 -1.204 -1.823 1.00 0.00 H new ATOM 0 HD12 ILE A 27 2.196 -2.169 -1.056 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.508 -2.728 -0.998 1.00 0.00 H new ATOM 410 N SER A 28 2.860 0.334 2.801 1.00 0.00 N ATOM 411 CA SER A 28 3.450 1.701 2.727 1.00 0.00 C ATOM 412 C SER A 28 3.798 2.042 1.276 1.00 0.00 C ATOM 413 O SER A 28 4.076 1.172 0.474 1.00 0.00 O ATOM 414 CB SER A 28 4.715 1.635 3.581 1.00 0.00 C ATOM 415 OG SER A 28 4.411 2.059 4.904 1.00 0.00 O ATOM 0 H SER A 28 3.534 -0.426 2.894 1.00 0.00 H new ATOM 0 HA SER A 28 2.763 2.469 3.081 1.00 0.00 H new ATOM 0 HB2 SER A 28 5.107 0.618 3.594 1.00 0.00 H new ATOM 0 HB3 SER A 28 5.491 2.270 3.152 1.00 0.00 H new ATOM 0 HG SER A 28 5.220 2.016 5.455 1.00 0.00 H new ATOM 421 N SER A 29 3.785 3.300 0.929 1.00 0.00 N ATOM 422 CA SER A 29 4.114 3.689 -0.472 1.00 0.00 C ATOM 423 C SER A 29 5.337 2.911 -0.962 1.00 0.00 C ATOM 424 O SER A 29 5.305 2.270 -1.994 1.00 0.00 O ATOM 425 CB SER A 29 4.419 5.185 -0.407 1.00 0.00 C ATOM 426 OG SER A 29 5.827 5.376 -0.374 1.00 0.00 O ATOM 0 H SER A 29 3.561 4.074 1.554 1.00 0.00 H new ATOM 0 HA SER A 29 3.301 3.470 -1.164 1.00 0.00 H new ATOM 0 HB2 SER A 29 3.992 5.693 -1.272 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.960 5.623 0.479 1.00 0.00 H new ATOM 0 HG SER A 29 6.026 6.335 -0.334 1.00 0.00 H new ATOM 432 N SER A 30 6.417 2.961 -0.231 1.00 0.00 N ATOM 433 CA SER A 30 7.639 2.221 -0.657 1.00 0.00 C ATOM 434 C SER A 30 7.271 0.800 -1.092 1.00 0.00 C ATOM 435 O SER A 30 7.886 0.231 -1.973 1.00 0.00 O ATOM 436 CB SER A 30 8.535 2.188 0.580 1.00 0.00 C ATOM 437 OG SER A 30 9.181 0.924 0.658 1.00 0.00 O ATOM 0 H SER A 30 6.506 3.481 0.642 1.00 0.00 H new ATOM 0 HA SER A 30 8.134 2.695 -1.505 1.00 0.00 H new ATOM 0 HB2 SER A 30 9.276 2.986 0.528 1.00 0.00 H new ATOM 0 HB3 SER A 30 7.942 2.362 1.478 1.00 0.00 H new ATOM 0 HG SER A 30 9.758 0.900 1.450 1.00 0.00 H new ATOM 443 N GLU A 31 6.272 0.224 -0.482 1.00 0.00 N ATOM 444 CA GLU A 31 5.864 -1.160 -0.860 1.00 0.00 C ATOM 445 C GLU A 31 4.959 -1.125 -2.095 1.00 0.00 C ATOM 446 O GLU A 31 4.976 -2.023 -2.914 1.00 0.00 O ATOM 447 CB GLU A 31 5.097 -1.691 0.351 1.00 0.00 C ATOM 448 CG GLU A 31 5.963 -1.550 1.605 1.00 0.00 C ATOM 449 CD GLU A 31 5.199 -2.088 2.817 1.00 0.00 C ATOM 450 OE1 GLU A 31 4.064 -2.501 2.640 1.00 0.00 O ATOM 451 OE2 GLU A 31 5.761 -2.077 3.900 1.00 0.00 O ATOM 0 H GLU A 31 5.720 0.651 0.262 1.00 0.00 H new ATOM 0 HA GLU A 31 6.718 -1.789 -1.109 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.165 -1.139 0.475 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.830 -2.736 0.196 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.897 -2.098 1.478 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.226 -0.504 1.763 1.00 0.00 H new ATOM 458 N LEU A 32 4.169 -0.096 -2.237 1.00 0.00 N ATOM 459 CA LEU A 32 3.266 -0.007 -3.419 1.00 0.00 C ATOM 460 C LEU A 32 4.084 -0.076 -4.712 1.00 0.00 C ATOM 461 O LEU A 32 3.714 -0.745 -5.656 1.00 0.00 O ATOM 462 CB LEU A 32 2.572 1.350 -3.291 1.00 0.00 C ATOM 463 CG LEU A 32 1.734 1.614 -4.542 1.00 0.00 C ATOM 464 CD1 LEU A 32 0.720 0.483 -4.727 1.00 0.00 C ATOM 465 CD2 LEU A 32 0.990 2.942 -4.385 1.00 0.00 C ATOM 0 H LEU A 32 4.110 0.687 -1.586 1.00 0.00 H new ATOM 0 HA LEU A 32 2.548 -0.826 -3.453 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.937 1.363 -2.405 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.313 2.139 -3.164 1.00 0.00 H new ATOM 0 HG LEU A 32 2.388 1.662 -5.413 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.123 0.672 -5.619 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.248 -0.464 -4.837 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.066 0.435 -3.856 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.392 3.132 -5.276 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.337 2.892 -3.514 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.710 3.749 -4.253 1.00 0.00 H new ATOM 477 N ALA A 33 5.195 0.606 -4.760 1.00 0.00 N ATOM 478 CA ALA A 33 6.034 0.570 -5.992 1.00 0.00 C ATOM 479 C ALA A 33 6.360 -0.880 -6.355 1.00 0.00 C ATOM 480 O ALA A 33 6.298 -1.272 -7.503 1.00 0.00 O ATOM 481 CB ALA A 33 7.307 1.335 -5.629 1.00 0.00 C ATOM 0 H ALA A 33 5.558 1.185 -4.003 1.00 0.00 H new ATOM 0 HA ALA A 33 5.531 1.011 -6.853 1.00 0.00 H new ATOM 0 HB1 ALA A 33 7.978 1.353 -6.488 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.050 2.356 -5.348 1.00 0.00 H new ATOM 0 HB3 ALA A 33 7.802 0.842 -4.792 1.00 0.00 H new ATOM 487 N THR A 34 6.702 -1.680 -5.382 1.00 0.00 N ATOM 488 CA THR A 34 7.025 -3.105 -5.671 1.00 0.00 C ATOM 489 C THR A 34 5.796 -3.809 -6.251 1.00 0.00 C ATOM 490 O THR A 34 5.775 -4.193 -7.403 1.00 0.00 O ATOM 491 CB THR A 34 7.403 -3.713 -4.321 1.00 0.00 C ATOM 492 OG1 THR A 34 8.660 -3.198 -3.906 1.00 0.00 O ATOM 493 CG2 THR A 34 7.492 -5.232 -4.456 1.00 0.00 C ATOM 0 H THR A 34 6.771 -1.408 -4.401 1.00 0.00 H new ATOM 0 HA THR A 34 7.830 -3.208 -6.399 1.00 0.00 H new ATOM 0 HB THR A 34 6.645 -3.458 -3.580 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.903 -3.586 -3.039 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.762 -5.668 -3.494 1.00 0.00 H new ATOM 0 HG22 THR A 34 6.527 -5.626 -4.775 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.251 -5.488 -5.195 1.00 0.00 H new ATOM 501 N VAL A 35 4.767 -3.975 -5.462 1.00 0.00 N ATOM 502 CA VAL A 35 3.539 -4.647 -5.976 1.00 0.00 C ATOM 503 C VAL A 35 3.204 -4.107 -7.369 1.00 0.00 C ATOM 504 O VAL A 35 2.665 -4.803 -8.207 1.00 0.00 O ATOM 505 CB VAL A 35 2.437 -4.280 -4.981 1.00 0.00 C ATOM 506 CG1 VAL A 35 2.798 -4.820 -3.596 1.00 0.00 C ATOM 507 CG2 VAL A 35 2.298 -2.758 -4.910 1.00 0.00 C ATOM 0 H VAL A 35 4.724 -3.675 -4.488 1.00 0.00 H new ATOM 0 HA VAL A 35 3.659 -5.727 -6.064 1.00 0.00 H new ATOM 0 HB VAL A 35 1.494 -4.718 -5.309 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.012 -4.558 -2.887 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.898 -5.904 -3.643 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.742 -4.383 -3.270 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.512 -2.497 -4.201 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.242 -2.321 -4.583 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.041 -2.370 -5.895 1.00 0.00 H new ATOM 517 N MET A 36 3.526 -2.867 -7.617 1.00 0.00 N ATOM 518 CA MET A 36 3.235 -2.263 -8.948 1.00 0.00 C ATOM 519 C MET A 36 3.957 -3.036 -10.056 1.00 0.00 C ATOM 520 O MET A 36 3.338 -3.594 -10.940 1.00 0.00 O ATOM 521 CB MET A 36 3.769 -0.833 -8.852 1.00 0.00 C ATOM 522 CG MET A 36 3.052 0.054 -9.873 1.00 0.00 C ATOM 523 SD MET A 36 1.277 0.066 -9.521 1.00 0.00 S ATOM 524 CE MET A 36 1.007 1.836 -9.790 1.00 0.00 C ATOM 0 H MET A 36 3.981 -2.243 -6.951 1.00 0.00 H new ATOM 0 HA MET A 36 2.173 -2.289 -9.191 1.00 0.00 H new ATOM 0 HB2 MET A 36 3.615 -0.444 -7.846 1.00 0.00 H new ATOM 0 HB3 MET A 36 4.843 -0.822 -9.037 1.00 0.00 H new ATOM 0 HG2 MET A 36 3.449 1.068 -9.831 1.00 0.00 H new ATOM 0 HG3 MET A 36 3.231 -0.317 -10.882 1.00 0.00 H new ATOM 0 HE1 MET A 36 0.527 2.268 -8.912 1.00 0.00 H new ATOM 0 HE2 MET A 36 1.964 2.328 -9.960 1.00 0.00 H new ATOM 0 HE3 MET A 36 0.367 1.978 -10.660 1.00 0.00 H new ATOM 534 N ARG A 37 5.262 -3.072 -10.017 1.00 0.00 N ATOM 535 CA ARG A 37 6.017 -3.809 -11.073 1.00 0.00 C ATOM 536 C ARG A 37 5.850 -5.322 -10.898 1.00 0.00 C ATOM 537 O ARG A 37 6.082 -6.090 -11.810 1.00 0.00 O ATOM 538 CB ARG A 37 7.478 -3.404 -10.866 1.00 0.00 C ATOM 539 CG ARG A 37 7.602 -1.882 -10.937 1.00 0.00 C ATOM 540 CD ARG A 37 9.068 -1.497 -11.147 1.00 0.00 C ATOM 541 NE ARG A 37 9.828 -2.337 -10.181 1.00 0.00 N ATOM 542 CZ ARG A 37 10.639 -1.778 -9.326 1.00 0.00 C ATOM 543 NH1 ARG A 37 10.166 -1.225 -8.242 1.00 0.00 N ATOM 544 NH2 ARG A 37 11.924 -1.769 -9.554 1.00 0.00 N ATOM 0 H ARG A 37 5.837 -2.625 -9.303 1.00 0.00 H new ATOM 0 HA ARG A 37 5.661 -3.569 -12.075 1.00 0.00 H new ATOM 0 HB2 ARG A 37 7.832 -3.763 -9.900 1.00 0.00 H new ATOM 0 HB3 ARG A 37 8.106 -3.866 -11.628 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.993 -1.495 -11.754 1.00 0.00 H new ATOM 0 HG3 ARG A 37 7.225 -1.433 -10.018 1.00 0.00 H new ATOM 0 HD2 ARG A 37 9.384 -1.690 -12.172 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.228 -0.435 -10.959 1.00 0.00 H new ATOM 0 HE ARG A 37 9.714 -3.351 -10.188 1.00 0.00 H new ATOM 0 HH11 ARG A 37 9.162 -1.230 -8.063 1.00 0.00 H new ATOM 0 HH12 ARG A 37 10.801 -0.788 -7.574 1.00 0.00 H new ATOM 0 HH21 ARG A 37 12.295 -2.199 -10.401 1.00 0.00 H new ATOM 0 HH22 ARG A 37 12.558 -1.332 -8.885 1.00 0.00 H new ATOM 558 N SER A 38 5.453 -5.757 -9.733 1.00 0.00 N ATOM 559 CA SER A 38 5.277 -7.219 -9.502 1.00 0.00 C ATOM 560 C SER A 38 4.084 -7.749 -10.303 1.00 0.00 C ATOM 561 O SER A 38 4.077 -8.882 -10.743 1.00 0.00 O ATOM 562 CB SER A 38 5.016 -7.354 -8.003 1.00 0.00 C ATOM 563 OG SER A 38 5.932 -8.288 -7.448 1.00 0.00 O ATOM 0 H SER A 38 5.243 -5.163 -8.931 1.00 0.00 H new ATOM 0 HA SER A 38 6.148 -7.791 -9.820 1.00 0.00 H new ATOM 0 HB2 SER A 38 5.126 -6.386 -7.515 1.00 0.00 H new ATOM 0 HB3 SER A 38 3.992 -7.684 -7.829 1.00 0.00 H new ATOM 0 HG SER A 38 5.768 -8.375 -6.486 1.00 0.00 H new ATOM 569 N LEU A 39 3.078 -6.944 -10.494 1.00 0.00 N ATOM 570 CA LEU A 39 1.890 -7.413 -11.267 1.00 0.00 C ATOM 571 C LEU A 39 2.289 -7.719 -12.713 1.00 0.00 C ATOM 572 O LEU A 39 1.713 -8.572 -13.358 1.00 0.00 O ATOM 573 CB LEU A 39 0.892 -6.254 -11.220 1.00 0.00 C ATOM 574 CG LEU A 39 0.130 -6.280 -9.892 1.00 0.00 C ATOM 575 CD1 LEU A 39 -0.999 -5.249 -9.932 1.00 0.00 C ATOM 576 CD2 LEU A 39 -0.467 -7.672 -9.666 1.00 0.00 C ATOM 0 H LEU A 39 3.024 -5.985 -10.151 1.00 0.00 H new ATOM 0 HA LEU A 39 1.466 -8.327 -10.852 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.417 -5.305 -11.330 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.193 -6.330 -12.053 1.00 0.00 H new ATOM 0 HG LEU A 39 0.817 -6.043 -9.080 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.542 -5.267 -8.987 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.579 -4.256 -10.090 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.682 -5.489 -10.747 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.008 -7.687 -8.720 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.152 -7.911 -10.480 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.334 -8.411 -9.637 1.00 0.00 H new ATOM 588 N GLY A 40 3.271 -7.032 -13.228 1.00 0.00 N ATOM 589 CA GLY A 40 3.704 -7.290 -14.631 1.00 0.00 C ATOM 590 C GLY A 40 3.969 -5.961 -15.343 1.00 0.00 C ATOM 591 O GLY A 40 3.697 -5.812 -16.518 1.00 0.00 O ATOM 0 H GLY A 40 3.792 -6.304 -12.739 1.00 0.00 H new ATOM 0 HA2 GLY A 40 4.606 -7.902 -14.637 1.00 0.00 H new ATOM 0 HA3 GLY A 40 2.935 -7.851 -15.162 1.00 0.00 H new ATOM 595 N LEU A 41 4.500 -4.997 -14.644 1.00 0.00 N ATOM 596 CA LEU A 41 4.784 -3.680 -15.285 1.00 0.00 C ATOM 597 C LEU A 41 6.093 -3.101 -14.744 1.00 0.00 C ATOM 598 O LEU A 41 6.723 -3.672 -13.877 1.00 0.00 O ATOM 599 CB LEU A 41 3.602 -2.781 -14.910 1.00 0.00 C ATOM 600 CG LEU A 41 3.226 -3.003 -13.444 1.00 0.00 C ATOM 601 CD1 LEU A 41 2.952 -1.655 -12.777 1.00 0.00 C ATOM 602 CD2 LEU A 41 1.969 -3.874 -13.368 1.00 0.00 C ATOM 0 H LEU A 41 4.750 -5.063 -13.657 1.00 0.00 H new ATOM 0 HA LEU A 41 4.896 -3.767 -16.366 1.00 0.00 H new ATOM 0 HB2 LEU A 41 3.862 -1.735 -15.074 1.00 0.00 H new ATOM 0 HB3 LEU A 41 2.748 -3.001 -15.551 1.00 0.00 H new ATOM 0 HG LEU A 41 4.047 -3.502 -12.930 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.684 -1.814 -11.732 1.00 0.00 H new ATOM 0 HD12 LEU A 41 3.846 -1.033 -12.832 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.130 -1.155 -13.290 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.699 -4.033 -12.324 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.148 -3.374 -13.882 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.163 -4.835 -13.843 1.00 0.00 H new ATOM 614 N SER A 42 6.507 -1.971 -15.250 1.00 0.00 N ATOM 615 CA SER A 42 7.775 -1.359 -14.763 1.00 0.00 C ATOM 616 C SER A 42 7.905 0.075 -15.282 1.00 0.00 C ATOM 617 O SER A 42 8.490 0.310 -16.321 1.00 0.00 O ATOM 618 CB SER A 42 8.885 -2.239 -15.338 1.00 0.00 C ATOM 619 OG SER A 42 9.966 -1.417 -15.759 1.00 0.00 O ATOM 0 H SER A 42 6.023 -1.446 -15.978 1.00 0.00 H new ATOM 0 HA SER A 42 7.817 -1.307 -13.675 1.00 0.00 H new ATOM 0 HB2 SER A 42 9.226 -2.951 -14.587 1.00 0.00 H new ATOM 0 HB3 SER A 42 8.506 -2.820 -16.179 1.00 0.00 H new ATOM 0 HG SER A 42 9.685 -0.874 -16.525 1.00 0.00 H new ATOM 625 N PRO A 43 7.352 0.989 -14.533 1.00 0.00 N ATOM 626 CA PRO A 43 7.403 2.422 -14.913 1.00 0.00 C ATOM 627 C PRO A 43 8.823 2.970 -14.735 1.00 0.00 C ATOM 628 O PRO A 43 9.784 2.227 -14.707 1.00 0.00 O ATOM 629 CB PRO A 43 6.434 3.085 -13.938 1.00 0.00 C ATOM 630 CG PRO A 43 6.389 2.170 -12.756 1.00 0.00 C ATOM 631 CD PRO A 43 6.634 0.776 -13.272 1.00 0.00 C ATOM 0 HA PRO A 43 7.138 2.601 -15.955 1.00 0.00 H new ATOM 0 HB2 PRO A 43 6.778 4.080 -13.654 1.00 0.00 H new ATOM 0 HB3 PRO A 43 5.446 3.204 -14.383 1.00 0.00 H new ATOM 0 HG2 PRO A 43 7.146 2.449 -12.023 1.00 0.00 H new ATOM 0 HG3 PRO A 43 5.422 2.232 -12.256 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.225 0.188 -12.570 1.00 0.00 H new ATOM 0 HD3 PRO A 43 5.699 0.238 -13.430 1.00 0.00 H new ATOM 639 N SER A 44 8.964 4.262 -14.617 1.00 0.00 N ATOM 640 CA SER A 44 10.324 4.848 -14.443 1.00 0.00 C ATOM 641 C SER A 44 10.397 5.636 -13.133 1.00 0.00 C ATOM 642 O SER A 44 9.394 6.076 -12.605 1.00 0.00 O ATOM 643 CB SER A 44 10.508 5.781 -15.640 1.00 0.00 C ATOM 644 OG SER A 44 9.634 5.379 -16.687 1.00 0.00 O ATOM 0 H SER A 44 8.199 4.936 -14.633 1.00 0.00 H new ATOM 0 HA SER A 44 11.100 4.084 -14.397 1.00 0.00 H new ATOM 0 HB2 SER A 44 10.297 6.810 -15.349 1.00 0.00 H new ATOM 0 HB3 SER A 44 11.542 5.752 -15.983 1.00 0.00 H new ATOM 0 HG SER A 44 9.748 5.976 -17.456 1.00 0.00 H new ATOM 650 N GLU A 45 11.576 5.820 -12.605 1.00 0.00 N ATOM 651 CA GLU A 45 11.711 6.580 -11.329 1.00 0.00 C ATOM 652 C GLU A 45 10.815 7.821 -11.361 1.00 0.00 C ATOM 653 O GLU A 45 9.898 7.956 -10.577 1.00 0.00 O ATOM 654 CB GLU A 45 13.185 6.983 -11.261 1.00 0.00 C ATOM 655 CG GLU A 45 14.046 5.734 -11.060 1.00 0.00 C ATOM 656 CD GLU A 45 14.404 5.593 -9.580 1.00 0.00 C ATOM 657 OE1 GLU A 45 13.740 6.216 -8.768 1.00 0.00 O ATOM 658 OE2 GLU A 45 15.336 4.864 -9.283 1.00 0.00 O ATOM 0 H GLU A 45 12.451 5.477 -13.001 1.00 0.00 H new ATOM 0 HA GLU A 45 11.411 5.992 -10.462 1.00 0.00 H new ATOM 0 HB2 GLU A 45 13.476 7.495 -12.178 1.00 0.00 H new ATOM 0 HB3 GLU A 45 13.344 7.683 -10.441 1.00 0.00 H new ATOM 0 HG2 GLU A 45 13.507 4.850 -11.400 1.00 0.00 H new ATOM 0 HG3 GLU A 45 14.954 5.805 -11.659 1.00 0.00 H new ATOM 665 N ALA A 46 11.071 8.727 -12.266 1.00 0.00 N ATOM 666 CA ALA A 46 10.228 9.953 -12.348 1.00 0.00 C ATOM 667 C ALA A 46 8.747 9.574 -12.274 1.00 0.00 C ATOM 668 O ALA A 46 7.972 10.191 -11.572 1.00 0.00 O ATOM 669 CB ALA A 46 10.558 10.572 -13.707 1.00 0.00 C ATOM 0 H ALA A 46 11.826 8.671 -12.950 1.00 0.00 H new ATOM 0 HA ALA A 46 10.422 10.647 -11.530 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.975 11.483 -13.843 1.00 0.00 H new ATOM 0 HB2 ALA A 46 11.620 10.812 -13.749 1.00 0.00 H new ATOM 0 HB3 ALA A 46 10.314 9.863 -14.498 1.00 0.00 H new ATOM 675 N GLU A 47 8.352 8.556 -12.991 1.00 0.00 N ATOM 676 CA GLU A 47 6.924 8.133 -12.958 1.00 0.00 C ATOM 677 C GLU A 47 6.540 7.699 -11.541 1.00 0.00 C ATOM 678 O GLU A 47 5.433 7.919 -11.090 1.00 0.00 O ATOM 679 CB GLU A 47 6.838 6.951 -13.924 1.00 0.00 C ATOM 680 CG GLU A 47 5.686 7.176 -14.905 1.00 0.00 C ATOM 681 CD GLU A 47 6.048 8.308 -15.868 1.00 0.00 C ATOM 682 OE1 GLU A 47 6.938 9.075 -15.541 1.00 0.00 O ATOM 683 OE2 GLU A 47 5.430 8.388 -16.917 1.00 0.00 O ATOM 0 H GLU A 47 8.956 8.001 -13.597 1.00 0.00 H new ATOM 0 HA GLU A 47 6.245 8.938 -13.241 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.777 6.843 -14.468 1.00 0.00 H new ATOM 0 HB3 GLU A 47 6.682 6.025 -13.370 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.485 6.261 -15.462 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.775 7.425 -14.361 1.00 0.00 H new ATOM 690 N VAL A 48 7.450 7.084 -10.836 1.00 0.00 N ATOM 691 CA VAL A 48 7.143 6.636 -9.447 1.00 0.00 C ATOM 692 C VAL A 48 7.029 7.847 -8.517 1.00 0.00 C ATOM 693 O VAL A 48 6.116 7.950 -7.723 1.00 0.00 O ATOM 694 CB VAL A 48 8.327 5.759 -9.038 1.00 0.00 C ATOM 695 CG1 VAL A 48 7.950 4.933 -7.807 1.00 0.00 C ATOM 696 CG2 VAL A 48 8.690 4.817 -10.190 1.00 0.00 C ATOM 0 H VAL A 48 8.393 6.872 -11.162 1.00 0.00 H new ATOM 0 HA VAL A 48 6.198 6.096 -9.388 1.00 0.00 H new ATOM 0 HB VAL A 48 9.182 6.393 -8.804 1.00 0.00 H new ATOM 0 HG11 VAL A 48 8.794 4.308 -7.516 1.00 0.00 H new ATOM 0 HG12 VAL A 48 7.693 5.601 -6.985 1.00 0.00 H new ATOM 0 HG13 VAL A 48 7.094 4.300 -8.042 1.00 0.00 H new ATOM 0 HG21 VAL A 48 9.534 4.193 -9.897 1.00 0.00 H new ATOM 0 HG22 VAL A 48 7.835 4.184 -10.426 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.960 5.403 -11.068 1.00 0.00 H new ATOM 706 N ASN A 49 7.951 8.766 -8.613 1.00 0.00 N ATOM 707 CA ASN A 49 7.898 9.971 -7.736 1.00 0.00 C ATOM 708 C ASN A 49 6.518 10.628 -7.823 1.00 0.00 C ATOM 709 O ASN A 49 5.891 10.912 -6.821 1.00 0.00 O ATOM 710 CB ASN A 49 8.974 10.909 -8.287 1.00 0.00 C ATOM 711 CG ASN A 49 9.062 12.158 -7.408 1.00 0.00 C ATOM 712 OD1 ASN A 49 9.200 12.061 -6.206 1.00 0.00 O ATOM 713 ND2 ASN A 49 8.984 13.336 -7.962 1.00 0.00 N ATOM 0 H ASN A 49 8.739 8.735 -9.260 1.00 0.00 H new ATOM 0 HA ASN A 49 8.068 9.727 -6.687 1.00 0.00 H new ATOM 0 HB2 ASN A 49 9.937 10.400 -8.311 1.00 0.00 H new ATOM 0 HB3 ASN A 49 8.736 11.190 -9.313 1.00 0.00 H new ATOM 0 HD21 ASN A 49 9.039 14.175 -7.385 1.00 0.00 H new ATOM 0 HD22 ASN A 49 8.868 13.418 -8.972 1.00 0.00 H new ATOM 720 N ASP A 50 6.040 10.872 -9.012 1.00 0.00 N ATOM 721 CA ASP A 50 4.700 11.511 -9.161 1.00 0.00 C ATOM 722 C ASP A 50 3.599 10.530 -8.752 1.00 0.00 C ATOM 723 O ASP A 50 2.660 10.886 -8.067 1.00 0.00 O ATOM 724 CB ASP A 50 4.589 11.854 -10.647 1.00 0.00 C ATOM 725 CG ASP A 50 5.437 13.090 -10.951 1.00 0.00 C ATOM 726 OD1 ASP A 50 6.337 13.372 -10.177 1.00 0.00 O ATOM 727 OD2 ASP A 50 5.173 13.735 -11.953 1.00 0.00 O ATOM 0 H ASP A 50 6.518 10.657 -9.887 1.00 0.00 H new ATOM 0 HA ASP A 50 4.589 12.393 -8.530 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.925 11.012 -11.251 1.00 0.00 H new ATOM 0 HB3 ASP A 50 3.548 12.040 -10.911 1.00 0.00 H new ATOM 732 N LEU A 51 3.705 9.297 -9.166 1.00 0.00 N ATOM 733 CA LEU A 51 2.663 8.294 -8.801 1.00 0.00 C ATOM 734 C LEU A 51 2.491 8.239 -7.280 1.00 0.00 C ATOM 735 O LEU A 51 1.390 8.151 -6.773 1.00 0.00 O ATOM 736 CB LEU A 51 3.193 6.962 -9.331 1.00 0.00 C ATOM 737 CG LEU A 51 2.281 5.827 -8.862 1.00 0.00 C ATOM 738 CD1 LEU A 51 0.966 5.873 -9.642 1.00 0.00 C ATOM 739 CD2 LEU A 51 2.972 4.484 -9.110 1.00 0.00 C ATOM 0 H LEU A 51 4.468 8.940 -9.741 1.00 0.00 H new ATOM 0 HA LEU A 51 1.688 8.540 -9.221 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.235 6.983 -10.420 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.210 6.796 -8.976 1.00 0.00 H new ATOM 0 HG LEU A 51 2.077 5.942 -7.798 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.316 5.064 -9.308 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.473 6.830 -9.468 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.170 5.758 -10.707 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.323 3.674 -8.776 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.176 4.371 -10.175 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.910 4.450 -8.556 1.00 0.00 H new ATOM 751 N MET A 52 3.570 8.287 -6.549 1.00 0.00 N ATOM 752 CA MET A 52 3.468 8.235 -5.063 1.00 0.00 C ATOM 753 C MET A 52 3.301 9.647 -4.493 1.00 0.00 C ATOM 754 O MET A 52 2.658 9.847 -3.482 1.00 0.00 O ATOM 755 CB MET A 52 4.787 7.620 -4.595 1.00 0.00 C ATOM 756 CG MET A 52 5.047 6.324 -5.364 1.00 0.00 C ATOM 757 SD MET A 52 3.583 5.263 -5.273 1.00 0.00 S ATOM 758 CE MET A 52 3.604 5.000 -3.483 1.00 0.00 C ATOM 0 H MET A 52 4.519 8.360 -6.916 1.00 0.00 H new ATOM 0 HA MET A 52 2.608 7.655 -4.729 1.00 0.00 H new ATOM 0 HB2 MET A 52 5.605 8.322 -4.757 1.00 0.00 H new ATOM 0 HB3 MET A 52 4.747 7.418 -3.525 1.00 0.00 H new ATOM 0 HG2 MET A 52 5.283 6.547 -6.404 1.00 0.00 H new ATOM 0 HG3 MET A 52 5.910 5.807 -4.945 1.00 0.00 H new ATOM 0 HE1 MET A 52 3.068 4.082 -3.244 1.00 0.00 H new ATOM 0 HE2 MET A 52 4.635 4.918 -3.139 1.00 0.00 H new ATOM 0 HE3 MET A 52 3.122 5.842 -2.986 1.00 0.00 H new ATOM 768 N ASN A 53 3.877 10.628 -5.134 1.00 0.00 N ATOM 769 CA ASN A 53 3.750 12.025 -4.627 1.00 0.00 C ATOM 770 C ASN A 53 2.282 12.459 -4.636 1.00 0.00 C ATOM 771 O ASN A 53 1.896 13.389 -3.956 1.00 0.00 O ATOM 772 CB ASN A 53 4.567 12.875 -5.600 1.00 0.00 C ATOM 773 CG ASN A 53 6.034 12.880 -5.168 1.00 0.00 C ATOM 774 OD1 ASN A 53 6.489 11.902 -4.433 1.00 0.00 O flip ATOM 775 ND2 ASN A 53 6.776 13.783 -5.502 1.00 0.00 N flip ATOM 0 H ASN A 53 4.429 10.523 -5.985 1.00 0.00 H new ATOM 0 HA ASN A 53 4.104 12.126 -3.601 1.00 0.00 H new ATOM 0 HB2 ASN A 53 4.476 12.478 -6.611 1.00 0.00 H new ATOM 0 HB3 ASN A 53 4.180 13.894 -5.622 1.00 0.00 H new ATOM 0 HD21 ASN A 53 6.422 14.548 -6.076 1.00 0.00 H new ATOM 0 HD22 ASN A 53 7.753 13.776 -5.208 1.00 0.00 H new ATOM 782 N GLU A 54 1.461 11.794 -5.401 1.00 0.00 N ATOM 783 CA GLU A 54 0.019 12.170 -5.451 1.00 0.00 C ATOM 784 C GLU A 54 -0.757 11.446 -4.348 1.00 0.00 C ATOM 785 O GLU A 54 -1.864 11.813 -4.009 1.00 0.00 O ATOM 786 CB GLU A 54 -0.461 11.716 -6.831 1.00 0.00 C ATOM 787 CG GLU A 54 -0.501 12.916 -7.779 1.00 0.00 C ATOM 788 CD GLU A 54 0.826 13.017 -8.533 1.00 0.00 C ATOM 789 OE1 GLU A 54 1.842 13.203 -7.884 1.00 0.00 O ATOM 790 OE2 GLU A 54 0.804 12.903 -9.748 1.00 0.00 O ATOM 0 H GLU A 54 1.725 11.007 -5.993 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.134 13.238 -5.296 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.206 10.950 -7.226 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.451 11.267 -6.754 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.325 12.808 -8.485 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.682 13.832 -7.216 1.00 0.00 H new ATOM 797 N ILE A 55 -0.183 10.418 -3.784 1.00 0.00 N ATOM 798 CA ILE A 55 -0.888 9.671 -2.702 1.00 0.00 C ATOM 799 C ILE A 55 -0.066 9.708 -1.411 1.00 0.00 C ATOM 800 O ILE A 55 -0.590 9.553 -0.326 1.00 0.00 O ATOM 801 CB ILE A 55 -1.008 8.239 -3.223 1.00 0.00 C ATOM 802 CG1 ILE A 55 -1.734 7.380 -2.184 1.00 0.00 C ATOM 803 CG2 ILE A 55 0.389 7.667 -3.469 1.00 0.00 C ATOM 804 CD1 ILE A 55 -1.603 5.904 -2.562 1.00 0.00 C ATOM 0 H ILE A 55 0.742 10.063 -4.025 1.00 0.00 H new ATOM 0 HA ILE A 55 -1.862 10.102 -2.469 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.571 8.237 -4.156 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -1.311 7.552 -1.194 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.786 7.662 -2.134 1.00 0.00 H new ATOM 0 HG21 ILE A 55 0.304 6.646 -3.841 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.908 8.279 -4.206 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.952 7.668 -2.536 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -2.120 5.292 -1.823 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -2.047 5.739 -3.544 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -0.549 5.628 -2.589 1.00 0.00 H new ATOM 816 N ASP A 56 1.218 9.909 -1.521 1.00 0.00 N ATOM 817 CA ASP A 56 2.073 9.955 -0.299 1.00 0.00 C ATOM 818 C ASP A 56 1.792 11.233 0.496 1.00 0.00 C ATOM 819 O ASP A 56 2.260 11.401 1.605 1.00 0.00 O ATOM 820 CB ASP A 56 3.511 9.952 -0.820 1.00 0.00 C ATOM 821 CG ASP A 56 4.481 9.943 0.361 1.00 0.00 C ATOM 822 OD1 ASP A 56 4.615 10.974 1.000 1.00 0.00 O ATOM 823 OD2 ASP A 56 5.075 8.906 0.607 1.00 0.00 O ATOM 0 H ASP A 56 1.713 10.043 -2.403 1.00 0.00 H new ATOM 0 HA ASP A 56 1.881 9.117 0.371 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.679 9.078 -1.449 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.686 10.830 -1.441 1.00 0.00 H new ATOM 828 N VAL A 57 1.032 12.136 -0.063 1.00 0.00 N ATOM 829 CA VAL A 57 0.723 13.401 0.663 1.00 0.00 C ATOM 830 C VAL A 57 2.018 14.095 1.092 1.00 0.00 C ATOM 831 O VAL A 57 2.537 14.947 0.398 1.00 0.00 O ATOM 832 CB VAL A 57 -0.085 12.969 1.887 1.00 0.00 C ATOM 833 CG1 VAL A 57 -0.302 14.173 2.806 1.00 0.00 C ATOM 834 CG2 VAL A 57 -1.440 12.422 1.434 1.00 0.00 C ATOM 0 H VAL A 57 0.613 12.053 -0.989 1.00 0.00 H new ATOM 0 HA VAL A 57 0.174 14.109 0.042 1.00 0.00 H new ATOM 0 HB VAL A 57 0.458 12.194 2.427 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -0.878 13.865 3.679 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.663 14.564 3.128 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.846 14.949 2.267 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.018 12.113 2.305 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.984 13.198 0.894 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.286 11.565 0.779 1.00 0.00 H new ATOM 844 N ASP A 58 2.545 13.736 2.231 1.00 0.00 N ATOM 845 CA ASP A 58 3.807 14.376 2.703 1.00 0.00 C ATOM 846 C ASP A 58 4.612 13.391 3.556 1.00 0.00 C ATOM 847 O ASP A 58 4.290 13.139 4.700 1.00 0.00 O ATOM 848 CB ASP A 58 3.355 15.570 3.545 1.00 0.00 C ATOM 849 CG ASP A 58 2.574 15.071 4.762 1.00 0.00 C ATOM 850 OD1 ASP A 58 1.766 14.173 4.595 1.00 0.00 O ATOM 851 OD2 ASP A 58 2.799 15.595 5.841 1.00 0.00 O ATOM 0 H ASP A 58 2.157 13.028 2.855 1.00 0.00 H new ATOM 0 HA ASP A 58 4.450 14.680 1.877 1.00 0.00 H new ATOM 0 HB2 ASP A 58 4.220 16.149 3.868 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.731 16.235 2.947 1.00 0.00 H new ATOM 856 N GLY A 59 5.656 12.833 3.008 1.00 0.00 N ATOM 857 CA GLY A 59 6.480 11.866 3.788 1.00 0.00 C ATOM 858 C GLY A 59 6.026 10.439 3.477 1.00 0.00 C ATOM 859 O GLY A 59 6.198 9.948 2.379 1.00 0.00 O ATOM 0 H GLY A 59 5.974 13.004 2.054 1.00 0.00 H new ATOM 0 HA2 GLY A 59 7.534 11.986 3.538 1.00 0.00 H new ATOM 0 HA3 GLY A 59 6.381 12.066 4.855 1.00 0.00 H new ATOM 863 N ASN A 60 5.445 9.770 4.435 1.00 0.00 N ATOM 864 CA ASN A 60 4.980 8.373 4.193 1.00 0.00 C ATOM 865 C ASN A 60 3.491 8.247 4.526 1.00 0.00 C ATOM 866 O ASN A 60 2.839 9.212 4.876 1.00 0.00 O ATOM 867 CB ASN A 60 5.817 7.508 5.136 1.00 0.00 C ATOM 868 CG ASN A 60 7.293 7.889 5.003 1.00 0.00 C ATOM 869 OD1 ASN A 60 7.919 8.282 5.968 1.00 0.00 O ATOM 870 ND2 ASN A 60 7.879 7.786 3.842 1.00 0.00 N ATOM 0 H ASN A 60 5.272 10.129 5.374 1.00 0.00 H new ATOM 0 HA ASN A 60 5.099 8.072 3.152 1.00 0.00 H new ATOM 0 HB2 ASN A 60 5.486 7.648 6.165 1.00 0.00 H new ATOM 0 HB3 ASN A 60 5.680 6.453 4.897 1.00 0.00 H new ATOM 0 HD21 ASN A 60 8.863 8.035 3.744 1.00 0.00 H new ATOM 0 HD22 ASN A 60 7.353 7.456 3.033 1.00 0.00 H new ATOM 877 N HIS A 61 2.948 7.065 4.423 1.00 0.00 N ATOM 878 CA HIS A 61 1.502 6.879 4.735 1.00 0.00 C ATOM 879 C HIS A 61 1.118 5.402 4.602 1.00 0.00 C ATOM 880 O HIS A 61 1.835 4.614 4.018 1.00 0.00 O ATOM 881 CB HIS A 61 0.759 7.723 3.698 1.00 0.00 C ATOM 882 CG HIS A 61 0.854 7.062 2.350 1.00 0.00 C ATOM 883 ND1 HIS A 61 1.787 6.075 2.074 1.00 0.00 N ATOM 884 CD2 HIS A 61 0.138 7.237 1.191 1.00 0.00 C ATOM 885 CE1 HIS A 61 1.609 5.697 0.794 1.00 0.00 C ATOM 886 NE2 HIS A 61 0.616 6.373 0.210 1.00 0.00 N ATOM 0 H HIS A 61 3.443 6.220 4.136 1.00 0.00 H new ATOM 0 HA HIS A 61 1.258 7.180 5.754 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -0.286 7.835 3.987 1.00 0.00 H new ATOM 0 HB3 HIS A 61 1.187 8.724 3.655 1.00 0.00 H new ATOM 0 HD1 HIS A 61 2.481 5.703 2.722 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -0.673 7.938 1.061 1.00 0.00 H new ATOM 0 HE1 HIS A 61 2.198 4.939 0.299 1.00 0.00 H new ATOM 894 N GLN A 62 -0.009 5.022 5.139 1.00 0.00 N ATOM 895 CA GLN A 62 -0.439 3.598 5.041 1.00 0.00 C ATOM 896 C GLN A 62 -1.400 3.416 3.864 1.00 0.00 C ATOM 897 O GLN A 62 -2.551 3.805 3.923 1.00 0.00 O ATOM 898 CB GLN A 62 -1.149 3.306 6.364 1.00 0.00 C ATOM 899 CG GLN A 62 -2.260 4.334 6.584 1.00 0.00 C ATOM 900 CD GLN A 62 -1.902 5.228 7.773 1.00 0.00 C ATOM 901 OE1 GLN A 62 -0.762 5.614 7.936 1.00 0.00 O ATOM 902 NE2 GLN A 62 -2.835 5.574 8.618 1.00 0.00 N ATOM 0 H GLN A 62 -0.651 5.636 5.641 1.00 0.00 H new ATOM 0 HA GLN A 62 0.401 2.924 4.872 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -1.568 2.300 6.350 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -0.436 3.343 7.188 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -2.392 4.939 5.687 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -3.207 3.827 6.769 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -3.792 5.250 8.481 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -2.607 6.168 9.415 1.00 0.00 H new ATOM 911 N ILE A 63 -0.939 2.829 2.793 1.00 0.00 N ATOM 912 CA ILE A 63 -1.826 2.625 1.613 1.00 0.00 C ATOM 913 C ILE A 63 -2.846 1.521 1.901 1.00 0.00 C ATOM 914 O ILE A 63 -2.687 0.737 2.815 1.00 0.00 O ATOM 915 CB ILE A 63 -0.889 2.204 0.481 1.00 0.00 C ATOM 916 CG1 ILE A 63 0.125 3.321 0.218 1.00 0.00 C ATOM 917 CG2 ILE A 63 -1.704 1.948 -0.787 1.00 0.00 C ATOM 918 CD1 ILE A 63 1.008 2.937 -0.970 1.00 0.00 C ATOM 0 H ILE A 63 0.014 2.482 2.684 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.391 3.523 1.363 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.362 1.293 0.765 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.394 4.257 0.012 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.739 3.485 1.103 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -1.036 1.648 -1.594 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.427 1.154 -0.600 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -2.230 2.859 -1.071 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.730 3.731 -1.158 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.537 2.011 -0.746 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.387 2.795 -1.854 1.00 0.00 H new ATOM 930 N GLU A 64 -3.893 1.453 1.123 1.00 0.00 N ATOM 931 CA GLU A 64 -4.921 0.397 1.349 1.00 0.00 C ATOM 932 C GLU A 64 -5.179 -0.370 0.049 1.00 0.00 C ATOM 933 O GLU A 64 -5.384 0.216 -0.995 1.00 0.00 O ATOM 934 CB GLU A 64 -6.176 1.154 1.785 1.00 0.00 C ATOM 935 CG GLU A 64 -6.250 1.183 3.314 1.00 0.00 C ATOM 936 CD GLU A 64 -7.572 0.566 3.773 1.00 0.00 C ATOM 937 OE1 GLU A 64 -8.601 0.955 3.243 1.00 0.00 O ATOM 938 OE2 GLU A 64 -7.535 -0.283 4.648 1.00 0.00 O ATOM 0 H GLU A 64 -4.080 2.082 0.342 1.00 0.00 H new ATOM 0 HA GLU A 64 -4.609 -0.335 2.094 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.155 2.170 1.392 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -7.064 0.672 1.376 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -5.412 0.631 3.740 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -6.171 2.209 3.673 1.00 0.00 H new ATOM 945 N PHE A 65 -5.169 -1.673 0.103 1.00 0.00 N ATOM 946 CA PHE A 65 -5.411 -2.471 -1.132 1.00 0.00 C ATOM 947 C PHE A 65 -6.564 -1.866 -1.937 1.00 0.00 C ATOM 948 O PHE A 65 -6.528 -1.818 -3.151 1.00 0.00 O ATOM 949 CB PHE A 65 -5.781 -3.870 -0.637 1.00 0.00 C ATOM 950 CG PHE A 65 -5.926 -4.798 -1.818 1.00 0.00 C ATOM 951 CD1 PHE A 65 -4.914 -4.868 -2.782 1.00 0.00 C ATOM 952 CD2 PHE A 65 -7.074 -5.589 -1.949 1.00 0.00 C ATOM 953 CE1 PHE A 65 -5.050 -5.728 -3.879 1.00 0.00 C ATOM 954 CE2 PHE A 65 -7.210 -6.449 -3.045 1.00 0.00 C ATOM 955 CZ PHE A 65 -6.198 -6.519 -4.010 1.00 0.00 C ATOM 0 H PHE A 65 -5.004 -2.220 0.948 1.00 0.00 H new ATOM 0 HA PHE A 65 -4.540 -2.488 -1.787 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -5.013 -4.243 0.040 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -6.713 -3.833 -0.073 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -4.028 -4.259 -2.680 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -7.854 -5.536 -1.204 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -4.270 -5.781 -4.624 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -8.096 -7.059 -3.146 1.00 0.00 H new ATOM 0 HZ PHE A 65 -6.303 -7.183 -4.855 1.00 0.00 H new ATOM 965 N SER A 66 -7.586 -1.400 -1.272 1.00 0.00 N ATOM 966 CA SER A 66 -8.738 -0.797 -2.001 1.00 0.00 C ATOM 967 C SER A 66 -8.283 0.448 -2.767 1.00 0.00 C ATOM 968 O SER A 66 -8.096 0.417 -3.966 1.00 0.00 O ATOM 969 CB SER A 66 -9.742 -0.421 -0.912 1.00 0.00 C ATOM 970 OG SER A 66 -10.753 -1.418 -0.841 1.00 0.00 O ATOM 0 H SER A 66 -7.673 -1.411 -0.256 1.00 0.00 H new ATOM 0 HA SER A 66 -9.169 -1.480 -2.733 1.00 0.00 H new ATOM 0 HB2 SER A 66 -9.236 -0.330 0.049 1.00 0.00 H new ATOM 0 HB3 SER A 66 -10.187 0.550 -1.131 1.00 0.00 H new ATOM 0 HG SER A 66 -11.398 -1.181 -0.142 1.00 0.00 H new ATOM 976 N GLU A 67 -8.103 1.544 -2.082 1.00 0.00 N ATOM 977 CA GLU A 67 -7.659 2.790 -2.771 1.00 0.00 C ATOM 978 C GLU A 67 -6.507 2.480 -3.729 1.00 0.00 C ATOM 979 O GLU A 67 -6.397 3.058 -4.793 1.00 0.00 O ATOM 980 CB GLU A 67 -7.191 3.717 -1.647 1.00 0.00 C ATOM 981 CG GLU A 67 -6.343 4.847 -2.232 1.00 0.00 C ATOM 982 CD GLU A 67 -4.907 4.730 -1.717 1.00 0.00 C ATOM 983 OE1 GLU A 67 -4.579 3.690 -1.169 1.00 0.00 O ATOM 984 OE2 GLU A 67 -4.161 5.681 -1.877 1.00 0.00 O ATOM 0 H GLU A 67 -8.244 1.631 -1.076 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.453 3.241 -3.366 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.052 4.130 -1.121 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -6.610 3.154 -0.916 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.355 4.798 -3.321 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.763 5.813 -1.952 1.00 0.00 H new ATOM 991 N PHE A 68 -5.646 1.570 -3.362 1.00 0.00 N ATOM 992 CA PHE A 68 -4.501 1.222 -4.252 1.00 0.00 C ATOM 993 C PHE A 68 -5.008 0.871 -5.653 1.00 0.00 C ATOM 994 O PHE A 68 -4.714 1.547 -6.618 1.00 0.00 O ATOM 995 CB PHE A 68 -3.846 0.006 -3.597 1.00 0.00 C ATOM 996 CG PHE A 68 -2.900 -0.650 -4.576 1.00 0.00 C ATOM 997 CD1 PHE A 68 -2.301 0.109 -5.588 1.00 0.00 C ATOM 998 CD2 PHE A 68 -2.621 -2.018 -4.468 1.00 0.00 C ATOM 999 CE1 PHE A 68 -1.423 -0.498 -6.492 1.00 0.00 C ATOM 1000 CE2 PHE A 68 -1.743 -2.625 -5.373 1.00 0.00 C ATOM 1001 CZ PHE A 68 -1.144 -1.867 -6.386 1.00 0.00 C ATOM 0 H PHE A 68 -5.686 1.052 -2.484 1.00 0.00 H new ATOM 0 HA PHE A 68 -3.800 2.049 -4.367 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -3.305 0.310 -2.701 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.610 -0.705 -3.282 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -2.517 1.164 -5.671 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -3.083 -2.604 -3.687 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.960 0.089 -7.272 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -1.527 -3.680 -5.290 1.00 0.00 H new ATOM 0 HZ PHE A 68 -0.468 -2.337 -7.085 1.00 0.00 H new ATOM 1011 N LEU A 69 -5.768 -0.183 -5.771 1.00 0.00 N ATOM 1012 CA LEU A 69 -6.293 -0.577 -7.110 1.00 0.00 C ATOM 1013 C LEU A 69 -7.388 0.396 -7.555 1.00 0.00 C ATOM 1014 O LEU A 69 -7.423 0.829 -8.690 1.00 0.00 O ATOM 1015 CB LEU A 69 -6.868 -1.980 -6.912 1.00 0.00 C ATOM 1016 CG LEU A 69 -5.785 -3.020 -7.202 1.00 0.00 C ATOM 1017 CD1 LEU A 69 -4.498 -2.640 -6.467 1.00 0.00 C ATOM 1018 CD2 LEU A 69 -6.257 -4.394 -6.721 1.00 0.00 C ATOM 0 H LEU A 69 -6.048 -0.788 -4.999 1.00 0.00 H new ATOM 0 HA LEU A 69 -5.521 -0.558 -7.879 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.233 -2.094 -5.891 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.720 -2.132 -7.574 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.594 -3.053 -8.275 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.727 -3.382 -6.675 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.160 -1.661 -6.807 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.688 -2.605 -5.394 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.486 -5.136 -6.927 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.449 -4.358 -5.649 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.173 -4.668 -7.244 1.00 0.00 H new ATOM 1030 N ALA A 70 -8.282 0.743 -6.670 1.00 0.00 N ATOM 1031 CA ALA A 70 -9.373 1.688 -7.044 1.00 0.00 C ATOM 1032 C ALA A 70 -8.803 2.857 -7.853 1.00 0.00 C ATOM 1033 O ALA A 70 -9.481 3.451 -8.666 1.00 0.00 O ATOM 1034 CB ALA A 70 -9.942 2.183 -5.715 1.00 0.00 C ATOM 0 H ALA A 70 -8.304 0.414 -5.705 1.00 0.00 H new ATOM 0 HA ALA A 70 -10.136 1.215 -7.662 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -10.753 2.886 -5.906 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -10.322 1.336 -5.144 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -9.157 2.681 -5.146 1.00 0.00 H new ATOM 1040 N LEU A 71 -7.560 3.189 -7.636 1.00 0.00 N ATOM 1041 CA LEU A 71 -6.946 4.318 -8.393 1.00 0.00 C ATOM 1042 C LEU A 71 -6.034 3.779 -9.498 1.00 0.00 C ATOM 1043 O LEU A 71 -5.888 4.380 -10.544 1.00 0.00 O ATOM 1044 CB LEU A 71 -6.132 5.094 -7.357 1.00 0.00 C ATOM 1045 CG LEU A 71 -7.042 6.088 -6.633 1.00 0.00 C ATOM 1046 CD1 LEU A 71 -8.275 5.357 -6.097 1.00 0.00 C ATOM 1047 CD2 LEU A 71 -6.278 6.720 -5.467 1.00 0.00 C ATOM 0 H LEU A 71 -6.943 2.728 -6.968 1.00 0.00 H new ATOM 0 HA LEU A 71 -7.694 4.946 -8.877 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.685 4.405 -6.640 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.313 5.623 -7.844 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.356 6.866 -7.329 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.923 6.066 -5.581 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.819 4.905 -6.926 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.962 4.579 -5.401 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.925 7.429 -4.950 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -5.965 5.941 -4.772 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.400 7.241 -5.847 1.00 0.00 H new ATOM 1059 N MET A 72 -5.420 2.649 -9.275 1.00 0.00 N ATOM 1060 CA MET A 72 -4.518 2.073 -10.313 1.00 0.00 C ATOM 1061 C MET A 72 -5.309 1.762 -11.587 1.00 0.00 C ATOM 1062 O MET A 72 -4.758 1.677 -12.667 1.00 0.00 O ATOM 1063 CB MET A 72 -3.972 0.786 -9.693 1.00 0.00 C ATOM 1064 CG MET A 72 -2.443 0.843 -9.662 1.00 0.00 C ATOM 1065 SD MET A 72 -1.805 0.836 -11.356 1.00 0.00 S ATOM 1066 CE MET A 72 -1.957 -0.942 -11.648 1.00 0.00 C ATOM 0 H MET A 72 -5.504 2.100 -8.419 1.00 0.00 H new ATOM 0 HA MET A 72 -3.720 2.760 -10.595 1.00 0.00 H new ATOM 0 HB2 MET A 72 -4.362 0.662 -8.683 1.00 0.00 H new ATOM 0 HB3 MET A 72 -4.303 -0.077 -10.271 1.00 0.00 H new ATOM 0 HG2 MET A 72 -2.112 1.742 -9.141 1.00 0.00 H new ATOM 0 HG3 MET A 72 -2.048 -0.009 -9.110 1.00 0.00 H new ATOM 0 HE1 MET A 72 -0.964 -1.384 -11.729 1.00 0.00 H new ATOM 0 HE2 MET A 72 -2.493 -1.403 -10.818 1.00 0.00 H new ATOM 0 HE3 MET A 72 -2.506 -1.113 -12.574 1.00 0.00 H new ATOM 1076 N SER A 73 -6.597 1.590 -11.469 1.00 0.00 N ATOM 1077 CA SER A 73 -7.422 1.284 -12.673 1.00 0.00 C ATOM 1078 C SER A 73 -7.193 2.343 -13.755 1.00 0.00 C ATOM 1079 O SER A 73 -7.487 2.133 -14.915 1.00 0.00 O ATOM 1080 CB SER A 73 -8.868 1.323 -12.183 1.00 0.00 C ATOM 1081 OG SER A 73 -9.153 0.130 -11.466 1.00 0.00 O ATOM 0 H SER A 73 -7.114 1.648 -10.592 1.00 0.00 H new ATOM 0 HA SER A 73 -7.167 0.320 -13.114 1.00 0.00 H new ATOM 0 HB2 SER A 73 -9.024 2.192 -11.543 1.00 0.00 H new ATOM 0 HB3 SER A 73 -9.548 1.424 -13.029 1.00 0.00 H new ATOM 0 HG SER A 73 -10.080 0.153 -11.149 1.00 0.00 H new