USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 439 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 29 SER OG : rot -140:sc= -1.17 USER MOD Set 1.2: A 49 ASN : amide:sc= -4.18! C(o=-12!,f=-8.5!) USER MOD Set 1.3: A 52 MET CE :methyl 158:sc= -6.64! (180deg=-7.25!) USER MOD Single : A 5 THR OG1 : rot -69:sc= 0.218 USER MOD Single : A 8 GLN : amide:sc= -3.87! C(o=-3.9!,f=-5!) 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= -2.26! K(o=-2.3!,f=-1.2) USER MOD Single : A 24 ASN : amide:sc= -9.54! C(o=-9.5!,f=-12!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 71:sc= 0.744 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot -86:sc= 0.312 USER MOD Single : A 44 SER OG : rot 34:sc= 0.734 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 ASN : amide:sc= -9.38! C(o=-9.4!,f=-17!) USER MOD Single : A 61 HIS : no HD1:sc= -3! C(o=-3!,f=-4.4!) USER MOD Single : A 62 GLN : amide:sc= -0.185 X(o=-0.18,f=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl -118:sc= -1.09 (180deg=-3.78) USER MOD ----------------------------------------------------------------- ATOM 39 N LEU A 4 -15.874 0.258 -18.791 1.00 0.00 N ATOM 40 CA LEU A 4 -14.925 0.224 -17.642 1.00 0.00 C ATOM 41 C LEU A 4 -15.676 -0.111 -16.346 1.00 0.00 C ATOM 42 O LEU A 4 -16.117 -1.226 -16.151 1.00 0.00 O ATOM 43 CB LEU A 4 -14.318 1.628 -17.588 1.00 0.00 C ATOM 44 CG LEU A 4 -15.422 2.672 -17.764 1.00 0.00 C ATOM 45 CD1 LEU A 4 -15.076 3.924 -16.957 1.00 0.00 C ATOM 46 CD2 LEU A 4 -15.544 3.039 -19.245 1.00 0.00 C ATOM 0 HA LEU A 4 -14.155 -0.538 -17.757 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -13.810 1.779 -16.636 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -13.568 1.741 -18.371 1.00 0.00 H new ATOM 0 HG LEU A 4 -16.368 2.262 -17.410 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -15.863 4.667 -17.083 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -14.988 3.664 -15.902 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -14.130 4.334 -17.310 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -16.330 3.783 -19.372 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -14.597 3.448 -19.598 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -15.791 2.148 -19.822 1.00 0.00 H new ATOM 58 N THR A 5 -15.831 0.836 -15.457 1.00 0.00 N ATOM 59 CA THR A 5 -16.558 0.550 -14.185 1.00 0.00 C ATOM 60 C THR A 5 -16.002 -0.720 -13.534 1.00 0.00 C ATOM 61 O THR A 5 -14.821 -0.994 -13.597 1.00 0.00 O ATOM 62 CB THR A 5 -18.026 0.349 -14.586 1.00 0.00 C ATOM 63 OG1 THR A 5 -18.221 -0.986 -15.034 1.00 0.00 O ATOM 64 CG2 THR A 5 -18.400 1.325 -15.706 1.00 0.00 C ATOM 0 H THR A 5 -15.487 1.791 -15.556 1.00 0.00 H new ATOM 0 HA THR A 5 -16.446 1.358 -13.462 1.00 0.00 H new ATOM 0 HB THR A 5 -18.660 0.538 -13.720 1.00 0.00 H new ATOM 0 HG1 THR A 5 -17.761 -1.115 -15.889 1.00 0.00 H new ATOM 0 HG21 THR A 5 -19.443 1.176 -15.985 1.00 0.00 H new ATOM 0 HG22 THR A 5 -18.260 2.349 -15.359 1.00 0.00 H new ATOM 0 HG23 THR A 5 -17.764 1.146 -16.573 1.00 0.00 H new ATOM 72 N GLU A 6 -16.847 -1.496 -12.911 1.00 0.00 N ATOM 73 CA GLU A 6 -16.371 -2.750 -12.257 1.00 0.00 C ATOM 74 C GLU A 6 -15.361 -3.465 -13.157 1.00 0.00 C ATOM 75 O GLU A 6 -14.456 -4.127 -12.692 1.00 0.00 O ATOM 76 CB GLU A 6 -17.631 -3.597 -12.075 1.00 0.00 C ATOM 77 CG GLU A 6 -18.042 -4.209 -13.417 1.00 0.00 C ATOM 78 CD GLU A 6 -19.247 -5.129 -13.212 1.00 0.00 C ATOM 79 OE1 GLU A 6 -19.198 -5.943 -12.306 1.00 0.00 O ATOM 80 OE2 GLU A 6 -20.198 -5.002 -13.964 1.00 0.00 O ATOM 0 H GLU A 6 -17.847 -1.316 -12.826 1.00 0.00 H new ATOM 0 HA GLU A 6 -15.867 -2.561 -11.309 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -17.448 -4.386 -11.346 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -18.440 -2.982 -11.682 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -18.290 -3.420 -14.127 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -17.210 -4.771 -13.842 1.00 0.00 H new ATOM 87 N GLU A 7 -15.510 -3.329 -14.444 1.00 0.00 N ATOM 88 CA GLU A 7 -14.561 -3.991 -15.380 1.00 0.00 C ATOM 89 C GLU A 7 -13.189 -3.329 -15.270 1.00 0.00 C ATOM 90 O GLU A 7 -12.176 -3.987 -15.141 1.00 0.00 O ATOM 91 CB GLU A 7 -15.154 -3.774 -16.772 1.00 0.00 C ATOM 92 CG GLU A 7 -15.350 -5.127 -17.461 1.00 0.00 C ATOM 93 CD GLU A 7 -16.445 -5.914 -16.738 1.00 0.00 C ATOM 94 OE1 GLU A 7 -17.585 -5.482 -16.780 1.00 0.00 O ATOM 95 OE2 GLU A 7 -16.124 -6.936 -16.154 1.00 0.00 O ATOM 0 H GLU A 7 -16.250 -2.786 -14.889 1.00 0.00 H new ATOM 0 HA GLU A 7 -14.429 -5.051 -15.162 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -16.108 -3.252 -16.695 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -14.492 -3.144 -17.366 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -15.623 -4.979 -18.506 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -14.417 -5.690 -17.452 1.00 0.00 H new ATOM 102 N GLN A 8 -13.151 -2.024 -15.303 1.00 0.00 N ATOM 103 CA GLN A 8 -11.842 -1.323 -15.183 1.00 0.00 C ATOM 104 C GLN A 8 -11.341 -1.452 -13.743 1.00 0.00 C ATOM 105 O GLN A 8 -10.196 -1.770 -13.498 1.00 0.00 O ATOM 106 CB GLN A 8 -12.127 0.140 -15.561 1.00 0.00 C ATOM 107 CG GLN A 8 -12.536 0.948 -14.324 1.00 0.00 C ATOM 108 CD GLN A 8 -12.671 2.425 -14.701 1.00 0.00 C ATOM 109 OE1 GLN A 8 -11.999 2.899 -15.596 1.00 0.00 O ATOM 110 NE2 GLN A 8 -13.517 3.177 -14.053 1.00 0.00 N ATOM 0 H GLN A 8 -13.964 -1.417 -15.407 1.00 0.00 H new ATOM 0 HA GLN A 8 -11.069 -1.739 -15.828 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -11.240 0.583 -16.015 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -12.921 0.180 -16.307 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -13.481 0.575 -13.929 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -11.792 0.829 -13.536 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -14.081 2.780 -13.302 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -13.614 4.162 -14.297 1.00 0.00 H new ATOM 119 N ILE A 9 -12.203 -1.221 -12.791 1.00 0.00 N ATOM 120 CA ILE A 9 -11.794 -1.344 -11.367 1.00 0.00 C ATOM 121 C ILE A 9 -11.162 -2.713 -11.133 1.00 0.00 C ATOM 122 O ILE A 9 -9.998 -2.821 -10.811 1.00 0.00 O ATOM 123 CB ILE A 9 -13.090 -1.220 -10.572 1.00 0.00 C ATOM 124 CG1 ILE A 9 -13.699 0.165 -10.798 1.00 0.00 C ATOM 125 CG2 ILE A 9 -12.792 -1.411 -9.085 1.00 0.00 C ATOM 126 CD1 ILE A 9 -15.213 0.094 -10.598 1.00 0.00 C ATOM 0 H ILE A 9 -13.175 -0.952 -12.941 1.00 0.00 H new ATOM 0 HA ILE A 9 -11.063 -0.590 -11.076 1.00 0.00 H new ATOM 0 HB ILE A 9 -13.795 -1.982 -10.903 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -13.263 0.884 -10.104 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -13.470 0.515 -11.805 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -13.717 -1.323 -8.514 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -12.359 -2.398 -8.925 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -12.087 -0.648 -8.754 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -15.648 1.080 -10.759 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -15.641 -0.612 -11.310 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -15.431 -0.237 -9.583 1.00 0.00 H new ATOM 138 N ALA A 10 -11.920 -3.763 -11.298 1.00 0.00 N ATOM 139 CA ALA A 10 -11.354 -5.125 -11.090 1.00 0.00 C ATOM 140 C ALA A 10 -9.973 -5.215 -11.743 1.00 0.00 C ATOM 141 O ALA A 10 -9.010 -5.648 -11.136 1.00 0.00 O ATOM 142 CB ALA A 10 -12.337 -6.076 -11.774 1.00 0.00 C ATOM 0 H ALA A 10 -12.904 -3.736 -11.567 1.00 0.00 H new ATOM 0 HA ALA A 10 -11.229 -5.368 -10.035 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -11.987 -7.102 -11.663 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -13.320 -5.976 -11.314 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -12.406 -5.828 -12.833 1.00 0.00 H new ATOM 148 N GLU A 11 -9.869 -4.797 -12.975 1.00 0.00 N ATOM 149 CA GLU A 11 -8.551 -4.846 -13.668 1.00 0.00 C ATOM 150 C GLU A 11 -7.541 -3.983 -12.911 1.00 0.00 C ATOM 151 O GLU A 11 -6.396 -4.352 -12.739 1.00 0.00 O ATOM 152 CB GLU A 11 -8.812 -4.272 -15.061 1.00 0.00 C ATOM 153 CG GLU A 11 -9.400 -5.362 -15.960 1.00 0.00 C ATOM 154 CD GLU A 11 -8.361 -5.783 -16.999 1.00 0.00 C ATOM 155 OE1 GLU A 11 -7.914 -4.925 -17.744 1.00 0.00 O ATOM 156 OE2 GLU A 11 -8.028 -6.957 -17.034 1.00 0.00 O ATOM 0 H GLU A 11 -10.639 -4.424 -13.531 1.00 0.00 H new ATOM 0 HA GLU A 11 -8.142 -5.855 -13.719 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -9.500 -3.429 -14.996 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.884 -3.893 -15.490 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -9.698 -6.222 -15.360 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -10.298 -4.993 -16.457 1.00 0.00 H new ATOM 163 N PHE A 12 -7.962 -2.837 -12.449 1.00 0.00 N ATOM 164 CA PHE A 12 -7.036 -1.951 -11.694 1.00 0.00 C ATOM 165 C PHE A 12 -6.627 -2.626 -10.383 1.00 0.00 C ATOM 166 O PHE A 12 -5.460 -2.706 -10.052 1.00 0.00 O ATOM 167 CB PHE A 12 -7.841 -0.679 -11.424 1.00 0.00 C ATOM 168 CG PHE A 12 -7.987 0.101 -12.710 1.00 0.00 C ATOM 169 CD1 PHE A 12 -6.862 0.342 -13.507 1.00 0.00 C ATOM 170 CD2 PHE A 12 -9.241 0.581 -13.107 1.00 0.00 C ATOM 171 CE1 PHE A 12 -6.990 1.064 -14.699 1.00 0.00 C ATOM 172 CE2 PHE A 12 -9.369 1.304 -14.299 1.00 0.00 C ATOM 173 CZ PHE A 12 -8.244 1.544 -15.096 1.00 0.00 C ATOM 0 H PHE A 12 -8.910 -2.477 -12.563 1.00 0.00 H new ATOM 0 HA PHE A 12 -6.118 -1.737 -12.241 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -8.823 -0.934 -11.026 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -7.340 -0.071 -10.671 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -5.895 -0.029 -13.202 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -10.110 0.393 -12.493 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -6.121 1.251 -15.313 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -10.336 1.677 -14.603 1.00 0.00 H new ATOM 0 HZ PHE A 12 -8.343 2.099 -16.017 1.00 0.00 H new ATOM 183 N LYS A 13 -7.580 -3.121 -9.639 1.00 0.00 N ATOM 184 CA LYS A 13 -7.250 -3.801 -8.356 1.00 0.00 C ATOM 185 C LYS A 13 -6.034 -4.704 -8.558 1.00 0.00 C ATOM 186 O LYS A 13 -5.040 -4.586 -7.870 1.00 0.00 O ATOM 187 CB LYS A 13 -8.488 -4.632 -8.015 1.00 0.00 C ATOM 188 CG LYS A 13 -9.601 -3.709 -7.517 1.00 0.00 C ATOM 189 CD LYS A 13 -10.795 -4.550 -7.059 1.00 0.00 C ATOM 190 CE LYS A 13 -10.544 -5.061 -5.639 1.00 0.00 C ATOM 191 NZ LYS A 13 -11.323 -6.327 -5.543 1.00 0.00 N ATOM 0 H LYS A 13 -8.574 -3.083 -9.866 1.00 0.00 H new ATOM 0 HA LYS A 13 -7.007 -3.100 -7.558 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -8.823 -5.182 -8.894 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -8.244 -5.370 -7.251 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -9.237 -3.095 -6.693 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -9.906 -3.028 -8.311 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -11.706 -3.952 -7.086 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -10.944 -5.390 -7.738 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -9.482 -5.236 -5.464 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -10.874 -4.337 -4.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -11.201 -6.739 -4.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -12.330 -6.128 -5.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -10.982 -7.000 -6.259 1.00 0.00 H new ATOM 205 N GLU A 14 -6.099 -5.595 -9.510 1.00 0.00 N ATOM 206 CA GLU A 14 -4.934 -6.487 -9.762 1.00 0.00 C ATOM 207 C GLU A 14 -3.693 -5.630 -10.022 1.00 0.00 C ATOM 208 O GLU A 14 -2.622 -5.890 -9.506 1.00 0.00 O ATOM 209 CB GLU A 14 -5.307 -7.290 -11.008 1.00 0.00 C ATOM 210 CG GLU A 14 -5.890 -8.641 -10.589 1.00 0.00 C ATOM 211 CD GLU A 14 -5.227 -9.757 -11.397 1.00 0.00 C ATOM 212 OE1 GLU A 14 -4.878 -9.508 -12.539 1.00 0.00 O ATOM 213 OE2 GLU A 14 -5.078 -10.843 -10.860 1.00 0.00 O ATOM 0 H GLU A 14 -6.903 -5.743 -10.120 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.711 -7.142 -8.919 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -6.033 -6.738 -11.605 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.427 -7.440 -11.634 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.728 -8.804 -9.523 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.968 -8.650 -10.753 1.00 0.00 H new ATOM 220 N ALA A 15 -3.836 -4.600 -10.811 1.00 0.00 N ATOM 221 CA ALA A 15 -2.674 -3.713 -11.099 1.00 0.00 C ATOM 222 C ALA A 15 -2.224 -3.017 -9.813 1.00 0.00 C ATOM 223 O ALA A 15 -1.061 -3.030 -9.464 1.00 0.00 O ATOM 224 CB ALA A 15 -3.196 -2.691 -12.110 1.00 0.00 C ATOM 0 H ALA A 15 -4.708 -4.335 -11.269 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.815 -4.261 -11.486 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -2.396 -1.999 -12.374 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -3.539 -3.208 -13.006 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.026 -2.137 -11.672 1.00 0.00 H new ATOM 230 N PHE A 16 -3.139 -2.415 -9.100 1.00 0.00 N ATOM 231 CA PHE A 16 -2.753 -1.730 -7.834 1.00 0.00 C ATOM 232 C PHE A 16 -1.812 -2.630 -7.034 1.00 0.00 C ATOM 233 O PHE A 16 -0.673 -2.288 -6.781 1.00 0.00 O ATOM 234 CB PHE A 16 -4.060 -1.517 -7.070 1.00 0.00 C ATOM 235 CG PHE A 16 -3.742 -1.102 -5.653 1.00 0.00 C ATOM 236 CD1 PHE A 16 -3.355 0.216 -5.379 1.00 0.00 C ATOM 237 CD2 PHE A 16 -3.829 -2.036 -4.613 1.00 0.00 C ATOM 238 CE1 PHE A 16 -3.056 0.600 -4.066 1.00 0.00 C ATOM 239 CE2 PHE A 16 -3.528 -1.652 -3.300 1.00 0.00 C ATOM 240 CZ PHE A 16 -3.142 -0.335 -3.027 1.00 0.00 C ATOM 0 H PHE A 16 -4.130 -2.368 -9.338 1.00 0.00 H new ATOM 0 HA PHE A 16 -2.236 -0.787 -8.014 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.662 -0.751 -7.560 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -4.649 -2.434 -7.070 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -3.287 0.936 -6.181 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -4.128 -3.052 -4.823 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -2.759 1.617 -3.855 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -3.594 -2.373 -2.498 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.910 -0.039 -2.014 1.00 0.00 H new ATOM 250 N ALA A 17 -2.277 -3.784 -6.639 1.00 0.00 N ATOM 251 CA ALA A 17 -1.404 -4.708 -5.864 1.00 0.00 C ATOM 252 C ALA A 17 -0.020 -4.764 -6.512 1.00 0.00 C ATOM 253 O ALA A 17 0.991 -4.624 -5.852 1.00 0.00 O ATOM 254 CB ALA A 17 -2.093 -6.071 -5.944 1.00 0.00 C ATOM 0 H ALA A 17 -3.221 -4.125 -6.819 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.267 -4.389 -4.831 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.507 -6.808 -5.394 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -3.089 -6.001 -5.508 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -2.174 -6.377 -6.987 1.00 0.00 H new ATOM 260 N LEU A 18 0.033 -4.955 -7.802 1.00 0.00 N ATOM 261 CA LEU A 18 1.354 -5.006 -8.490 1.00 0.00 C ATOM 262 C LEU A 18 2.231 -3.853 -7.999 1.00 0.00 C ATOM 263 O LEU A 18 3.397 -4.026 -7.705 1.00 0.00 O ATOM 264 CB LEU A 18 1.035 -4.847 -9.977 1.00 0.00 C ATOM 265 CG LEU A 18 1.534 -6.075 -10.740 1.00 0.00 C ATOM 266 CD1 LEU A 18 0.772 -6.200 -12.061 1.00 0.00 C ATOM 267 CD2 LEU A 18 3.030 -5.922 -11.028 1.00 0.00 C ATOM 0 H LEU A 18 -0.779 -5.078 -8.408 1.00 0.00 H new ATOM 0 HA LEU A 18 1.895 -5.931 -8.293 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.039 -4.729 -10.119 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.509 -3.946 -10.367 1.00 0.00 H new ATOM 0 HG LEU A 18 1.368 -6.969 -10.139 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.128 -7.075 -12.605 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.293 -6.307 -11.858 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.938 -5.307 -12.663 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.387 -6.797 -11.572 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.195 -5.028 -11.630 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.574 -5.832 -10.088 1.00 0.00 H new ATOM 279 N PHE A 19 1.674 -2.676 -7.898 1.00 0.00 N ATOM 280 CA PHE A 19 2.469 -1.512 -7.415 1.00 0.00 C ATOM 281 C PHE A 19 2.835 -1.714 -5.943 1.00 0.00 C ATOM 282 O PHE A 19 3.981 -1.597 -5.556 1.00 0.00 O ATOM 283 CB PHE A 19 1.547 -0.302 -7.576 1.00 0.00 C ATOM 284 CG PHE A 19 1.134 -0.163 -9.023 1.00 0.00 C ATOM 285 CD1 PHE A 19 1.999 -0.580 -10.042 1.00 0.00 C ATOM 286 CD2 PHE A 19 -0.113 0.387 -9.344 1.00 0.00 C ATOM 287 CE1 PHE A 19 1.616 -0.448 -11.382 1.00 0.00 C ATOM 288 CE2 PHE A 19 -0.496 0.519 -10.684 1.00 0.00 C ATOM 289 CZ PHE A 19 0.369 0.101 -11.704 1.00 0.00 C ATOM 0 H PHE A 19 0.702 -2.471 -8.129 1.00 0.00 H new ATOM 0 HA PHE A 19 3.400 -1.385 -7.968 1.00 0.00 H new ATOM 0 HB2 PHE A 19 0.665 -0.419 -6.946 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.058 0.603 -7.245 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.961 -1.003 -9.794 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -0.779 0.709 -8.558 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.283 -0.770 -12.168 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -1.458 0.943 -10.932 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.074 0.202 -12.738 1.00 0.00 H new ATOM 299 N ASP A 20 1.869 -2.021 -5.122 1.00 0.00 N ATOM 300 CA ASP A 20 2.156 -2.238 -3.676 1.00 0.00 C ATOM 301 C ASP A 20 2.926 -3.549 -3.486 1.00 0.00 C ATOM 302 O ASP A 20 2.448 -4.613 -3.825 1.00 0.00 O ATOM 303 CB ASP A 20 0.783 -2.320 -3.008 1.00 0.00 C ATOM 304 CG ASP A 20 0.953 -2.683 -1.532 1.00 0.00 C ATOM 305 OD1 ASP A 20 2.084 -2.874 -1.115 1.00 0.00 O ATOM 306 OD2 ASP A 20 -0.050 -2.766 -0.842 1.00 0.00 O ATOM 0 H ASP A 20 0.891 -2.131 -5.391 1.00 0.00 H new ATOM 0 HA ASP A 20 2.768 -1.443 -3.250 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.264 -1.366 -3.101 1.00 0.00 H new ATOM 0 HB3 ASP A 20 0.168 -3.068 -3.509 1.00 0.00 H new ATOM 311 N LYS A 21 4.114 -3.480 -2.952 1.00 0.00 N ATOM 312 CA LYS A 21 4.912 -4.723 -2.748 1.00 0.00 C ATOM 313 C LYS A 21 4.559 -5.370 -1.404 1.00 0.00 C ATOM 314 O LYS A 21 5.221 -6.284 -0.954 1.00 0.00 O ATOM 315 CB LYS A 21 6.369 -4.263 -2.755 1.00 0.00 C ATOM 316 CG LYS A 21 6.763 -3.840 -4.173 1.00 0.00 C ATOM 317 CD LYS A 21 7.482 -4.997 -4.869 1.00 0.00 C ATOM 318 CE LYS A 21 8.898 -4.562 -5.253 1.00 0.00 C ATOM 319 NZ LYS A 21 9.739 -5.777 -5.059 1.00 0.00 N ATOM 0 H LYS A 21 4.567 -2.618 -2.648 1.00 0.00 H new ATOM 0 HA LYS A 21 4.715 -5.469 -3.518 1.00 0.00 H new ATOM 0 HB2 LYS A 21 6.502 -3.430 -2.065 1.00 0.00 H new ATOM 0 HB3 LYS A 21 7.018 -5.068 -2.411 1.00 0.00 H new ATOM 0 HG2 LYS A 21 5.876 -3.556 -4.739 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.411 -2.965 -4.136 1.00 0.00 H new ATOM 0 HD2 LYS A 21 7.523 -5.863 -4.209 1.00 0.00 H new ATOM 0 HD3 LYS A 21 6.930 -5.300 -5.758 1.00 0.00 H new ATOM 0 HE2 LYS A 21 8.938 -4.215 -6.285 1.00 0.00 H new ATOM 0 HE3 LYS A 21 9.242 -3.739 -4.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 10.726 -5.558 -5.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 9.686 -6.081 -4.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 9.392 -6.541 -5.673 1.00 0.00 H new ATOM 333 N ASP A 22 3.525 -4.902 -0.762 1.00 0.00 N ATOM 334 CA ASP A 22 3.135 -5.493 0.552 1.00 0.00 C ATOM 335 C ASP A 22 1.673 -5.950 0.517 1.00 0.00 C ATOM 336 O ASP A 22 1.218 -6.668 1.385 1.00 0.00 O ATOM 337 CB ASP A 22 3.317 -4.361 1.562 1.00 0.00 C ATOM 338 CG ASP A 22 4.650 -3.655 1.310 1.00 0.00 C ATOM 339 OD1 ASP A 22 5.655 -4.342 1.227 1.00 0.00 O ATOM 340 OD2 ASP A 22 4.643 -2.440 1.203 1.00 0.00 O ATOM 0 H ASP A 22 2.933 -4.138 -1.088 1.00 0.00 H new ATOM 0 HA ASP A 22 3.734 -6.368 0.805 1.00 0.00 H new ATOM 0 HB2 ASP A 22 2.496 -3.649 1.477 1.00 0.00 H new ATOM 0 HB3 ASP A 22 3.291 -4.758 2.577 1.00 0.00 H new ATOM 345 N ASN A 23 0.936 -5.540 -0.478 1.00 0.00 N ATOM 346 CA ASN A 23 -0.496 -5.950 -0.567 1.00 0.00 C ATOM 347 C ASN A 23 -1.277 -5.407 0.631 1.00 0.00 C ATOM 348 O ASN A 23 -2.298 -5.945 1.013 1.00 0.00 O ATOM 349 CB ASN A 23 -0.486 -7.479 -0.538 1.00 0.00 C ATOM 350 CG ASN A 23 0.675 -8.010 -1.382 1.00 0.00 C ATOM 351 OD1 ASN A 23 0.583 -8.074 -2.591 1.00 0.00 O ATOM 352 ND2 ASN A 23 1.771 -8.398 -0.790 1.00 0.00 N ATOM 0 H ASN A 23 1.263 -4.938 -1.234 1.00 0.00 H new ATOM 0 HA ASN A 23 -0.972 -5.563 -1.468 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -0.391 -7.831 0.489 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -1.431 -7.865 -0.921 1.00 0.00 H new ATOM 0 HD21 ASN A 23 2.550 -8.755 -1.343 1.00 0.00 H new ATOM 0 HD22 ASN A 23 1.849 -8.344 0.226 1.00 0.00 H new ATOM 359 N ASN A 24 -0.812 -4.344 1.227 1.00 0.00 N ATOM 360 CA ASN A 24 -1.537 -3.770 2.397 1.00 0.00 C ATOM 361 C ASN A 24 -2.624 -2.804 1.919 1.00 0.00 C ATOM 362 O ASN A 24 -3.039 -1.917 2.637 1.00 0.00 O ATOM 363 CB ASN A 24 -0.475 -3.015 3.200 1.00 0.00 C ATOM 364 CG ASN A 24 0.799 -3.857 3.293 1.00 0.00 C ATOM 365 OD1 ASN A 24 1.883 -3.326 3.430 1.00 0.00 O ATOM 366 ND2 ASN A 24 0.713 -5.158 3.224 1.00 0.00 N ATOM 0 H ASN A 24 0.037 -3.848 0.956 1.00 0.00 H new ATOM 0 HA ASN A 24 -2.026 -4.540 2.993 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -0.256 -2.059 2.723 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -0.850 -2.794 4.199 1.00 0.00 H new ATOM 0 HD21 ASN A 24 1.556 -5.729 3.285 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -0.197 -5.604 3.109 1.00 0.00 H new ATOM 373 N GLY A 25 -3.084 -2.965 0.708 1.00 0.00 N ATOM 374 CA GLY A 25 -4.135 -2.049 0.185 1.00 0.00 C ATOM 375 C GLY A 25 -3.591 -0.620 0.174 1.00 0.00 C ATOM 376 O GLY A 25 -4.328 0.337 0.049 1.00 0.00 O ATOM 0 H GLY A 25 -2.777 -3.690 0.060 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.428 -2.348 -0.822 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.028 -2.107 0.807 1.00 0.00 H new ATOM 380 N SER A 26 -2.301 -0.474 0.305 1.00 0.00 N ATOM 381 CA SER A 26 -1.698 0.888 0.306 1.00 0.00 C ATOM 382 C SER A 26 -0.358 0.867 -0.433 1.00 0.00 C ATOM 383 O SER A 26 0.311 -0.146 -0.497 1.00 0.00 O ATOM 384 CB SER A 26 -1.493 1.225 1.782 1.00 0.00 C ATOM 385 OG SER A 26 -0.204 1.796 1.960 1.00 0.00 O ATOM 0 H SER A 26 -1.637 -1.241 0.412 1.00 0.00 H new ATOM 0 HA SER A 26 -2.327 1.624 -0.196 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.261 1.922 2.118 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.591 0.325 2.389 1.00 0.00 H new ATOM 0 HG SER A 26 -0.071 2.014 2.906 1.00 0.00 H new ATOM 391 N ILE A 27 0.040 1.975 -0.995 1.00 0.00 N ATOM 392 CA ILE A 27 1.334 2.012 -1.732 1.00 0.00 C ATOM 393 C ILE A 27 2.185 3.194 -1.260 1.00 0.00 C ATOM 394 O ILE A 27 1.711 4.307 -1.147 1.00 0.00 O ATOM 395 CB ILE A 27 0.942 2.188 -3.199 1.00 0.00 C ATOM 396 CG1 ILE A 27 0.380 0.872 -3.735 1.00 0.00 C ATOM 397 CG2 ILE A 27 2.172 2.587 -4.015 1.00 0.00 C ATOM 398 CD1 ILE A 27 -0.460 1.153 -4.981 1.00 0.00 C ATOM 0 H ILE A 27 -0.475 2.856 -0.976 1.00 0.00 H new ATOM 0 HA ILE A 27 1.928 1.113 -1.569 1.00 0.00 H new ATOM 0 HB ILE A 27 0.186 2.969 -3.281 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.193 0.188 -3.977 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.230 0.386 -2.973 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.890 2.712 -5.061 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.573 3.526 -3.633 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.930 1.808 -3.934 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.863 0.217 -5.367 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.281 1.822 -4.723 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.164 1.621 -5.743 1.00 0.00 H new ATOM 410 N SER A 28 3.439 2.960 -0.985 1.00 0.00 N ATOM 411 CA SER A 28 4.322 4.069 -0.523 1.00 0.00 C ATOM 412 C SER A 28 5.177 4.583 -1.684 1.00 0.00 C ATOM 413 O SER A 28 5.010 4.177 -2.817 1.00 0.00 O ATOM 414 CB SER A 28 5.205 3.447 0.559 1.00 0.00 C ATOM 415 OG SER A 28 4.411 2.613 1.391 1.00 0.00 O ATOM 0 H SER A 28 3.891 2.049 -1.060 1.00 0.00 H new ATOM 0 HA SER A 28 3.754 4.920 -0.147 1.00 0.00 H new ATOM 0 HB2 SER A 28 6.006 2.867 0.101 1.00 0.00 H new ATOM 0 HB3 SER A 28 5.677 4.229 1.153 1.00 0.00 H new ATOM 0 HG SER A 28 4.153 1.808 0.896 1.00 0.00 H new ATOM 421 N SER A 29 6.090 5.475 -1.411 1.00 0.00 N ATOM 422 CA SER A 29 6.953 6.015 -2.501 1.00 0.00 C ATOM 423 C SER A 29 7.718 4.879 -3.185 1.00 0.00 C ATOM 424 O SER A 29 7.539 4.613 -4.355 1.00 0.00 O ATOM 425 CB SER A 29 7.922 6.968 -1.801 1.00 0.00 C ATOM 426 OG SER A 29 7.876 8.237 -2.441 1.00 0.00 O ATOM 0 H SER A 29 6.276 5.853 -0.482 1.00 0.00 H new ATOM 0 HA SER A 29 6.374 6.517 -3.276 1.00 0.00 H new ATOM 0 HB2 SER A 29 7.655 7.068 -0.749 1.00 0.00 H new ATOM 0 HB3 SER A 29 8.935 6.566 -1.836 1.00 0.00 H new ATOM 0 HG SER A 29 8.782 8.606 -2.501 1.00 0.00 H new ATOM 432 N SER A 30 8.572 4.206 -2.461 1.00 0.00 N ATOM 433 CA SER A 30 9.348 3.089 -3.070 1.00 0.00 C ATOM 434 C SER A 30 8.399 2.049 -3.673 1.00 0.00 C ATOM 435 O SER A 30 8.606 1.569 -4.769 1.00 0.00 O ATOM 436 CB SER A 30 10.142 2.482 -1.913 1.00 0.00 C ATOM 437 OG SER A 30 10.380 1.106 -2.179 1.00 0.00 O ATOM 0 H SER A 30 8.765 4.382 -1.475 1.00 0.00 H new ATOM 0 HA SER A 30 9.997 3.430 -3.877 1.00 0.00 H new ATOM 0 HB2 SER A 30 11.088 3.009 -1.789 1.00 0.00 H new ATOM 0 HB3 SER A 30 9.590 2.594 -0.980 1.00 0.00 H new ATOM 0 HG SER A 30 10.890 0.713 -1.440 1.00 0.00 H new ATOM 443 N GLU A 31 7.360 1.700 -2.967 1.00 0.00 N ATOM 444 CA GLU A 31 6.397 0.692 -3.500 1.00 0.00 C ATOM 445 C GLU A 31 6.102 0.971 -4.977 1.00 0.00 C ATOM 446 O GLU A 31 6.460 0.202 -5.847 1.00 0.00 O ATOM 447 CB GLU A 31 5.134 0.866 -2.658 1.00 0.00 C ATOM 448 CG GLU A 31 5.383 0.335 -1.245 1.00 0.00 C ATOM 449 CD GLU A 31 4.084 -0.234 -0.674 1.00 0.00 C ATOM 450 OE1 GLU A 31 3.301 0.542 -0.150 1.00 0.00 O ATOM 451 OE2 GLU A 31 3.892 -1.436 -0.770 1.00 0.00 O ATOM 0 H GLU A 31 7.135 2.069 -2.043 1.00 0.00 H new ATOM 0 HA GLU A 31 6.788 -0.324 -3.441 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.854 1.919 -2.618 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.302 0.332 -3.117 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.152 -0.437 -1.266 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.753 1.136 -0.605 1.00 0.00 H new ATOM 458 N LEU A 32 5.451 2.065 -5.266 1.00 0.00 N ATOM 459 CA LEU A 32 5.135 2.389 -6.687 1.00 0.00 C ATOM 460 C LEU A 32 6.426 2.583 -7.485 1.00 0.00 C ATOM 461 O LEU A 32 6.440 2.484 -8.696 1.00 0.00 O ATOM 462 CB LEU A 32 4.339 3.693 -6.628 1.00 0.00 C ATOM 463 CG LEU A 32 2.888 3.424 -7.031 1.00 0.00 C ATOM 464 CD1 LEU A 32 2.017 4.617 -6.633 1.00 0.00 C ATOM 465 CD2 LEU A 32 2.808 3.219 -8.546 1.00 0.00 C ATOM 0 H LEU A 32 5.125 2.747 -4.581 1.00 0.00 H new ATOM 0 HA LEU A 32 4.576 1.592 -7.178 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.377 4.109 -5.621 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.782 4.432 -7.295 1.00 0.00 H new ATOM 0 HG LEU A 32 2.532 2.528 -6.523 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.983 4.425 -6.920 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.072 4.764 -5.554 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.374 5.513 -7.140 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.774 3.027 -8.833 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.165 4.115 -9.054 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.427 2.369 -8.831 1.00 0.00 H new ATOM 477 N ALA A 33 7.513 2.861 -6.817 1.00 0.00 N ATOM 478 CA ALA A 33 8.802 3.061 -7.539 1.00 0.00 C ATOM 479 C ALA A 33 9.381 1.712 -7.975 1.00 0.00 C ATOM 480 O ALA A 33 10.026 1.605 -8.998 1.00 0.00 O ATOM 481 CB ALA A 33 9.724 3.737 -6.523 1.00 0.00 C ATOM 0 H ALA A 33 7.564 2.958 -5.803 1.00 0.00 H new ATOM 0 HA ALA A 33 8.680 3.660 -8.442 1.00 0.00 H new ATOM 0 HB1 ALA A 33 10.697 3.919 -6.979 1.00 0.00 H new ATOM 0 HB2 ALA A 33 9.287 4.685 -6.210 1.00 0.00 H new ATOM 0 HB3 ALA A 33 9.846 3.089 -5.655 1.00 0.00 H new ATOM 487 N THR A 34 9.156 0.683 -7.205 1.00 0.00 N ATOM 488 CA THR A 34 9.695 -0.657 -7.577 1.00 0.00 C ATOM 489 C THR A 34 9.000 -1.175 -8.839 1.00 0.00 C ATOM 490 O THR A 34 9.423 -2.143 -9.439 1.00 0.00 O ATOM 491 CB THR A 34 9.379 -1.557 -6.382 1.00 0.00 C ATOM 492 OG1 THR A 34 7.980 -1.547 -6.140 1.00 0.00 O ATOM 493 CG2 THR A 34 10.118 -1.046 -5.144 1.00 0.00 C ATOM 0 H THR A 34 8.623 0.711 -6.336 1.00 0.00 H new ATOM 0 HA THR A 34 10.763 -0.627 -7.793 1.00 0.00 H new ATOM 0 HB THR A 34 9.703 -2.575 -6.599 1.00 0.00 H new ATOM 0 HG1 THR A 34 7.753 -0.788 -5.563 1.00 0.00 H new ATOM 0 HG21 THR A 34 9.891 -1.689 -4.294 1.00 0.00 H new ATOM 0 HG22 THR A 34 11.192 -1.057 -5.331 1.00 0.00 H new ATOM 0 HG23 THR A 34 9.798 -0.027 -4.924 1.00 0.00 H new ATOM 501 N VAL A 35 7.936 -0.537 -9.246 1.00 0.00 N ATOM 502 CA VAL A 35 7.215 -0.993 -10.468 1.00 0.00 C ATOM 503 C VAL A 35 8.054 -0.701 -11.716 1.00 0.00 C ATOM 504 O VAL A 35 7.867 -1.300 -12.756 1.00 0.00 O ATOM 505 CB VAL A 35 5.920 -0.181 -10.491 1.00 0.00 C ATOM 506 CG1 VAL A 35 5.062 -0.618 -11.679 1.00 0.00 C ATOM 507 CG2 VAL A 35 5.149 -0.419 -9.191 1.00 0.00 C ATOM 0 H VAL A 35 7.535 0.280 -8.785 1.00 0.00 H new ATOM 0 HA VAL A 35 7.023 -2.066 -10.458 1.00 0.00 H new ATOM 0 HB VAL A 35 6.157 0.879 -10.587 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.139 -0.038 -11.694 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.611 -0.450 -12.606 1.00 0.00 H new ATOM 0 HG13 VAL A 35 4.823 -1.677 -11.585 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.225 0.159 -9.205 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.913 -1.479 -9.097 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.759 -0.107 -8.344 1.00 0.00 H new ATOM 639 N SER A 44 14.660 8.188 -8.472 1.00 0.00 N ATOM 640 CA SER A 44 14.937 8.673 -7.090 1.00 0.00 C ATOM 641 C SER A 44 13.653 9.208 -6.451 1.00 0.00 C ATOM 642 O SER A 44 12.678 9.464 -7.128 1.00 0.00 O ATOM 643 CB SER A 44 15.959 9.797 -7.262 1.00 0.00 C ATOM 644 OG SER A 44 16.898 9.427 -8.263 1.00 0.00 O ATOM 0 HA SER A 44 15.309 7.880 -6.441 1.00 0.00 H new ATOM 0 HB2 SER A 44 15.456 10.722 -7.543 1.00 0.00 H new ATOM 0 HB3 SER A 44 16.471 9.986 -6.319 1.00 0.00 H new ATOM 0 HG SER A 44 16.449 8.892 -8.950 1.00 0.00 H new ATOM 650 N GLU A 45 13.649 9.370 -5.152 1.00 0.00 N ATOM 651 CA GLU A 45 12.434 9.883 -4.448 1.00 0.00 C ATOM 652 C GLU A 45 11.700 10.913 -5.311 1.00 0.00 C ATOM 653 O GLU A 45 10.497 10.855 -5.473 1.00 0.00 O ATOM 654 CB GLU A 45 12.964 10.537 -3.171 1.00 0.00 C ATOM 655 CG GLU A 45 14.077 11.526 -3.527 1.00 0.00 C ATOM 656 CD GLU A 45 14.912 11.824 -2.281 1.00 0.00 C ATOM 657 OE1 GLU A 45 15.446 10.886 -1.711 1.00 0.00 O ATOM 658 OE2 GLU A 45 15.005 12.984 -1.917 1.00 0.00 O ATOM 0 H GLU A 45 14.442 9.167 -4.544 1.00 0.00 H new ATOM 0 HA GLU A 45 11.719 9.087 -4.238 1.00 0.00 H new ATOM 0 HB2 GLU A 45 12.156 11.054 -2.652 1.00 0.00 H new ATOM 0 HB3 GLU A 45 13.344 9.775 -2.490 1.00 0.00 H new ATOM 0 HG2 GLU A 45 14.710 11.111 -4.311 1.00 0.00 H new ATOM 0 HG3 GLU A 45 13.647 12.448 -3.919 1.00 0.00 H new ATOM 665 N ALA A 46 12.411 11.853 -5.872 1.00 0.00 N ATOM 666 CA ALA A 46 11.743 12.876 -6.726 1.00 0.00 C ATOM 667 C ALA A 46 10.761 12.193 -7.682 1.00 0.00 C ATOM 668 O ALA A 46 9.584 12.495 -7.699 1.00 0.00 O ATOM 669 CB ALA A 46 12.876 13.543 -7.505 1.00 0.00 C ATOM 0 H ALA A 46 13.421 11.957 -5.777 1.00 0.00 H new ATOM 0 HA ALA A 46 11.173 13.599 -6.143 1.00 0.00 H new ATOM 0 HB1 ALA A 46 12.464 14.311 -8.159 1.00 0.00 H new ATOM 0 HB2 ALA A 46 13.578 13.999 -6.807 1.00 0.00 H new ATOM 0 HB3 ALA A 46 13.394 12.795 -8.105 1.00 0.00 H new ATOM 675 N GLU A 47 11.236 11.270 -8.473 1.00 0.00 N ATOM 676 CA GLU A 47 10.331 10.561 -9.424 1.00 0.00 C ATOM 677 C GLU A 47 9.469 9.546 -8.667 1.00 0.00 C ATOM 678 O GLU A 47 8.311 9.347 -8.973 1.00 0.00 O ATOM 679 CB GLU A 47 11.266 9.848 -10.401 1.00 0.00 C ATOM 680 CG GLU A 47 12.227 10.864 -11.022 1.00 0.00 C ATOM 681 CD GLU A 47 11.495 11.668 -12.098 1.00 0.00 C ATOM 682 OE1 GLU A 47 10.417 12.162 -11.810 1.00 0.00 O ATOM 683 OE2 GLU A 47 12.024 11.777 -13.191 1.00 0.00 O ATOM 0 H GLU A 47 12.212 10.976 -8.502 1.00 0.00 H new ATOM 0 HA GLU A 47 9.650 11.241 -9.936 1.00 0.00 H new ATOM 0 HB2 GLU A 47 11.827 9.071 -9.882 1.00 0.00 H new ATOM 0 HB3 GLU A 47 10.686 9.355 -11.182 1.00 0.00 H new ATOM 0 HG2 GLU A 47 12.613 11.533 -10.253 1.00 0.00 H new ATOM 0 HG3 GLU A 47 13.084 10.351 -11.457 1.00 0.00 H new ATOM 690 N VAL A 48 10.028 8.911 -7.674 1.00 0.00 N ATOM 691 CA VAL A 48 9.249 7.913 -6.887 1.00 0.00 C ATOM 692 C VAL A 48 8.080 8.607 -6.188 1.00 0.00 C ATOM 693 O VAL A 48 6.928 8.397 -6.515 1.00 0.00 O ATOM 694 CB VAL A 48 10.237 7.372 -5.851 1.00 0.00 C ATOM 695 CG1 VAL A 48 9.624 6.175 -5.127 1.00 0.00 C ATOM 696 CG2 VAL A 48 11.524 6.936 -6.549 1.00 0.00 C ATOM 0 H VAL A 48 10.994 9.041 -7.373 1.00 0.00 H new ATOM 0 HA VAL A 48 8.834 7.121 -7.511 1.00 0.00 H new ATOM 0 HB VAL A 48 10.461 8.156 -5.128 1.00 0.00 H new ATOM 0 HG11 VAL A 48 10.332 5.794 -4.391 1.00 0.00 H new ATOM 0 HG12 VAL A 48 8.708 6.484 -4.624 1.00 0.00 H new ATOM 0 HG13 VAL A 48 9.394 5.391 -5.849 1.00 0.00 H new ATOM 0 HG21 VAL A 48 12.226 6.551 -5.810 1.00 0.00 H new ATOM 0 HG22 VAL A 48 11.298 6.155 -7.275 1.00 0.00 H new ATOM 0 HG23 VAL A 48 11.968 7.790 -7.061 1.00 0.00 H new ATOM 706 N ASN A 49 8.379 9.441 -5.234 1.00 0.00 N ATOM 707 CA ASN A 49 7.306 10.167 -4.507 1.00 0.00 C ATOM 708 C ASN A 49 6.381 10.867 -5.510 1.00 0.00 C ATOM 709 O ASN A 49 5.187 10.961 -5.306 1.00 0.00 O ATOM 710 CB ASN A 49 8.068 11.176 -3.638 1.00 0.00 C ATOM 711 CG ASN A 49 7.222 12.432 -3.402 1.00 0.00 C ATOM 712 OD1 ASN A 49 7.748 13.520 -3.290 1.00 0.00 O ATOM 713 ND2 ASN A 49 5.923 12.324 -3.320 1.00 0.00 N ATOM 0 H ASN A 49 9.328 9.652 -4.925 1.00 0.00 H new ATOM 0 HA ASN A 49 6.667 9.518 -3.908 1.00 0.00 H new ATOM 0 HB2 ASN A 49 8.325 10.720 -2.682 1.00 0.00 H new ATOM 0 HB3 ASN A 49 9.005 11.448 -4.124 1.00 0.00 H new ATOM 0 HD21 ASN A 49 5.351 13.154 -3.162 1.00 0.00 H new ATOM 0 HD22 ASN A 49 5.480 11.410 -3.414 1.00 0.00 H new ATOM 720 N ASP A 50 6.923 11.352 -6.594 1.00 0.00 N ATOM 721 CA ASP A 50 6.073 12.038 -7.608 1.00 0.00 C ATOM 722 C ASP A 50 4.910 11.130 -8.015 1.00 0.00 C ATOM 723 O ASP A 50 3.760 11.519 -7.968 1.00 0.00 O ATOM 724 CB ASP A 50 6.999 12.290 -8.799 1.00 0.00 C ATOM 725 CG ASP A 50 7.357 13.776 -8.860 1.00 0.00 C ATOM 726 OD1 ASP A 50 6.536 14.581 -8.452 1.00 0.00 O ATOM 727 OD2 ASP A 50 8.447 14.084 -9.315 1.00 0.00 O ATOM 0 H ASP A 50 7.916 11.303 -6.821 1.00 0.00 H new ATOM 0 HA ASP A 50 5.640 12.964 -7.229 1.00 0.00 H new ATOM 0 HB2 ASP A 50 7.904 11.690 -8.703 1.00 0.00 H new ATOM 0 HB3 ASP A 50 6.511 11.984 -9.724 1.00 0.00 H new ATOM 732 N LEU A 51 5.200 9.920 -8.409 1.00 0.00 N ATOM 733 CA LEU A 51 4.110 8.987 -8.814 1.00 0.00 C ATOM 734 C LEU A 51 3.146 8.771 -7.645 1.00 0.00 C ATOM 735 O LEU A 51 1.954 8.968 -7.766 1.00 0.00 O ATOM 736 CB LEU A 51 4.818 7.681 -9.176 1.00 0.00 C ATOM 737 CG LEU A 51 4.503 7.315 -10.627 1.00 0.00 C ATOM 738 CD1 LEU A 51 5.781 7.390 -11.463 1.00 0.00 C ATOM 739 CD2 LEU A 51 3.944 5.890 -10.681 1.00 0.00 C ATOM 0 H LEU A 51 6.144 9.537 -8.468 1.00 0.00 H new ATOM 0 HA LEU A 51 3.522 9.372 -9.647 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.894 7.789 -9.043 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.493 6.882 -8.510 1.00 0.00 H new ATOM 0 HG LEU A 51 3.767 8.013 -11.026 1.00 0.00 H new ATOM 0 HD11 LEU A 51 5.555 7.129 -12.497 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.183 8.403 -11.424 1.00 0.00 H new ATOM 0 HD13 LEU A 51 6.518 6.692 -11.065 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.719 5.627 -11.714 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.682 5.194 -10.282 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.033 5.834 -10.085 1.00 0.00 H new ATOM 751 N MET A 52 3.655 8.368 -6.512 1.00 0.00 N ATOM 752 CA MET A 52 2.767 8.144 -5.336 1.00 0.00 C ATOM 753 C MET A 52 2.004 9.429 -5.002 1.00 0.00 C ATOM 754 O MET A 52 0.860 9.395 -4.593 1.00 0.00 O ATOM 755 CB MET A 52 3.710 7.764 -4.192 1.00 0.00 C ATOM 756 CG MET A 52 2.982 7.911 -2.854 1.00 0.00 C ATOM 757 SD MET A 52 3.247 9.579 -2.203 1.00 0.00 S ATOM 758 CE MET A 52 4.986 9.369 -1.747 1.00 0.00 C ATOM 0 H MET A 52 4.645 8.185 -6.350 1.00 0.00 H new ATOM 0 HA MET A 52 2.022 7.370 -5.520 1.00 0.00 H new ATOM 0 HB2 MET A 52 4.056 6.738 -4.318 1.00 0.00 H new ATOM 0 HB3 MET A 52 4.593 8.402 -4.209 1.00 0.00 H new ATOM 0 HG2 MET A 52 1.916 7.726 -2.986 1.00 0.00 H new ATOM 0 HG3 MET A 52 3.349 7.170 -2.145 1.00 0.00 H new ATOM 0 HE1 MET A 52 5.468 10.345 -1.690 1.00 0.00 H new ATOM 0 HE2 MET A 52 5.051 8.875 -0.777 1.00 0.00 H new ATOM 0 HE3 MET A 52 5.488 8.760 -2.499 1.00 0.00 H new ATOM 768 N ASN A 53 2.630 10.561 -5.175 1.00 0.00 N ATOM 769 CA ASN A 53 1.942 11.849 -4.868 1.00 0.00 C ATOM 770 C ASN A 53 0.872 12.142 -5.923 1.00 0.00 C ATOM 771 O ASN A 53 -0.274 12.389 -5.607 1.00 0.00 O ATOM 772 CB ASN A 53 3.045 12.907 -4.914 1.00 0.00 C ATOM 773 CG ASN A 53 2.424 14.298 -4.786 1.00 0.00 C ATOM 774 OD1 ASN A 53 1.977 14.682 -3.723 1.00 0.00 O ATOM 775 ND2 ASN A 53 2.374 15.077 -5.832 1.00 0.00 N ATOM 0 H ASN A 53 3.587 10.651 -5.515 1.00 0.00 H new ATOM 0 HA ASN A 53 1.437 11.828 -3.902 1.00 0.00 H new ATOM 0 HB2 ASN A 53 3.758 12.740 -4.106 1.00 0.00 H new ATOM 0 HB3 ASN A 53 3.599 12.829 -5.849 1.00 0.00 H new ATOM 0 HD21 ASN A 53 1.960 16.006 -5.756 1.00 0.00 H new ATOM 0 HD22 ASN A 53 2.749 14.757 -6.725 1.00 0.00 H new ATOM 782 N GLU A 54 1.239 12.117 -7.175 1.00 0.00 N ATOM 783 CA GLU A 54 0.244 12.396 -8.250 1.00 0.00 C ATOM 784 C GLU A 54 -1.055 11.631 -7.980 1.00 0.00 C ATOM 785 O GLU A 54 -2.120 12.028 -8.411 1.00 0.00 O ATOM 786 CB GLU A 54 0.902 11.897 -9.538 1.00 0.00 C ATOM 787 CG GLU A 54 1.469 13.087 -10.315 1.00 0.00 C ATOM 788 CD GLU A 54 0.356 13.736 -11.138 1.00 0.00 C ATOM 789 OE1 GLU A 54 -0.177 13.068 -12.009 1.00 0.00 O ATOM 790 OE2 GLU A 54 0.057 14.892 -10.886 1.00 0.00 O ATOM 0 H GLU A 54 2.184 11.916 -7.500 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.016 13.453 -8.308 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.698 11.190 -9.302 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.173 11.364 -10.149 1.00 0.00 H new ATOM 0 HG2 GLU A 54 1.897 13.814 -9.625 1.00 0.00 H new ATOM 0 HG3 GLU A 54 2.275 12.756 -10.970 1.00 0.00 H new ATOM 797 N ILE A 55 -0.977 10.538 -7.271 1.00 0.00 N ATOM 798 CA ILE A 55 -2.209 9.751 -6.977 1.00 0.00 C ATOM 799 C ILE A 55 -2.602 9.913 -5.505 1.00 0.00 C ATOM 800 O ILE A 55 -3.706 9.596 -5.111 1.00 0.00 O ATOM 801 CB ILE A 55 -1.833 8.300 -7.276 1.00 0.00 C ATOM 802 CG1 ILE A 55 -1.323 8.193 -8.715 1.00 0.00 C ATOM 803 CG2 ILE A 55 -3.064 7.408 -7.106 1.00 0.00 C ATOM 804 CD1 ILE A 55 -1.069 6.726 -9.061 1.00 0.00 C ATOM 0 H ILE A 55 -0.115 10.156 -6.883 1.00 0.00 H new ATOM 0 HA ILE A 55 -3.062 10.081 -7.571 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.052 7.978 -6.587 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.054 8.618 -9.403 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -0.404 8.769 -8.830 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.796 6.373 -7.319 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.430 7.484 -6.082 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -3.845 7.730 -7.795 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -0.706 6.652 -10.086 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -0.323 6.316 -8.381 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -1.997 6.163 -8.963 1.00 0.00 H new ATOM 816 N ASP A 56 -1.707 10.404 -4.692 1.00 0.00 N ATOM 817 CA ASP A 56 -2.032 10.585 -3.248 1.00 0.00 C ATOM 818 C ASP A 56 -3.153 11.615 -3.085 1.00 0.00 C ATOM 819 O ASP A 56 -2.908 12.799 -2.960 1.00 0.00 O ATOM 820 CB ASP A 56 -0.739 11.093 -2.610 1.00 0.00 C ATOM 821 CG ASP A 56 -0.606 10.519 -1.199 1.00 0.00 C ATOM 822 OD1 ASP A 56 -1.604 10.054 -0.673 1.00 0.00 O ATOM 823 OD2 ASP A 56 0.492 10.553 -0.669 1.00 0.00 O ATOM 0 H ASP A 56 -0.766 10.687 -4.964 1.00 0.00 H new ATOM 0 HA ASP A 56 -2.378 9.662 -2.784 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.118 10.799 -3.216 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.743 12.182 -2.572 1.00 0.00 H new ATOM 828 N VAL A 57 -4.381 11.174 -3.085 1.00 0.00 N ATOM 829 CA VAL A 57 -5.516 12.129 -2.929 1.00 0.00 C ATOM 830 C VAL A 57 -5.418 12.850 -1.582 1.00 0.00 C ATOM 831 O VAL A 57 -5.793 13.999 -1.454 1.00 0.00 O ATOM 832 CB VAL A 57 -6.774 11.263 -2.986 1.00 0.00 C ATOM 833 CG1 VAL A 57 -6.926 10.674 -4.389 1.00 0.00 C ATOM 834 CG2 VAL A 57 -6.660 10.128 -1.966 1.00 0.00 C ATOM 0 H VAL A 57 -4.648 10.195 -3.186 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.518 12.899 -3.701 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.646 11.875 -2.753 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -7.823 10.056 -4.429 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -7.009 11.482 -5.116 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -6.054 10.063 -4.624 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -7.557 9.511 -2.007 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -5.788 9.517 -2.198 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -6.553 10.547 -0.966 1.00 0.00 H new ATOM 844 N ASP A 58 -4.916 12.185 -0.578 1.00 0.00 N ATOM 845 CA ASP A 58 -4.792 12.835 0.758 1.00 0.00 C ATOM 846 C ASP A 58 -3.392 13.431 0.926 1.00 0.00 C ATOM 847 O ASP A 58 -3.210 14.431 1.592 1.00 0.00 O ATOM 848 CB ASP A 58 -5.021 11.709 1.768 1.00 0.00 C ATOM 849 CG ASP A 58 -3.984 10.606 1.547 1.00 0.00 C ATOM 850 OD1 ASP A 58 -3.658 10.348 0.400 1.00 0.00 O ATOM 851 OD2 ASP A 58 -3.536 10.037 2.529 1.00 0.00 O ATOM 0 H ASP A 58 -4.587 11.221 -0.624 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.503 13.651 0.890 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.944 12.096 2.784 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.027 11.305 1.656 1.00 0.00 H new ATOM 856 N GLY A 59 -2.403 12.827 0.325 1.00 0.00 N ATOM 857 CA GLY A 59 -1.017 13.361 0.448 1.00 0.00 C ATOM 858 C GLY A 59 -0.369 12.815 1.720 1.00 0.00 C ATOM 859 O GLY A 59 0.017 13.559 2.600 1.00 0.00 O ATOM 0 H GLY A 59 -2.495 11.987 -0.246 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -0.428 13.076 -0.424 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.037 14.450 0.477 1.00 0.00 H new ATOM 863 N ASN A 60 -0.242 11.520 1.826 1.00 0.00 N ATOM 864 CA ASN A 60 0.385 10.929 3.044 1.00 0.00 C ATOM 865 C ASN A 60 1.614 10.102 2.659 1.00 0.00 C ATOM 866 O ASN A 60 1.976 9.162 3.337 1.00 0.00 O ATOM 867 CB ASN A 60 -0.697 10.036 3.652 1.00 0.00 C ATOM 868 CG ASN A 60 -1.172 9.025 2.608 1.00 0.00 C ATOM 869 OD1 ASN A 60 -0.994 9.227 1.424 1.00 0.00 O ATOM 870 ND2 ASN A 60 -1.775 7.936 2.999 1.00 0.00 N ATOM 0 H ASN A 60 -0.545 10.846 1.123 1.00 0.00 H new ATOM 0 HA ASN A 60 0.725 11.691 3.745 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -0.305 9.515 4.526 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -1.535 10.644 3.993 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -2.096 7.256 2.310 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -1.925 7.765 3.993 1.00 0.00 H new ATOM 877 N HIS A 61 2.257 10.447 1.574 1.00 0.00 N ATOM 878 CA HIS A 61 3.467 9.686 1.133 1.00 0.00 C ATOM 879 C HIS A 61 3.062 8.315 0.582 1.00 0.00 C ATOM 880 O HIS A 61 3.880 7.430 0.432 1.00 0.00 O ATOM 881 CB HIS A 61 4.342 9.526 2.383 1.00 0.00 C ATOM 882 CG HIS A 61 4.317 10.794 3.194 1.00 0.00 C ATOM 883 ND1 HIS A 61 3.950 12.014 2.646 1.00 0.00 N ATOM 884 CD2 HIS A 61 4.609 11.047 4.511 1.00 0.00 C ATOM 885 CE1 HIS A 61 4.031 12.938 3.622 1.00 0.00 C ATOM 886 NE2 HIS A 61 4.428 12.401 4.780 1.00 0.00 N ATOM 0 H HIS A 61 1.996 11.227 0.971 1.00 0.00 H new ATOM 0 HA HIS A 61 4.000 10.206 0.337 1.00 0.00 H new ATOM 0 HB2 HIS A 61 3.981 8.692 2.985 1.00 0.00 H new ATOM 0 HB3 HIS A 61 5.366 9.290 2.093 1.00 0.00 H new ATOM 0 HD2 HIS A 61 4.930 10.308 5.230 1.00 0.00 H new ATOM 0 HE1 HIS A 61 3.803 13.985 3.486 1.00 0.00 H new ATOM 0 HE2 HIS A 61 4.568 12.880 5.669 1.00 0.00 H new ATOM 894 N GLN A 62 1.806 8.136 0.276 1.00 0.00 N ATOM 895 CA GLN A 62 1.350 6.825 -0.272 1.00 0.00 C ATOM 896 C GLN A 62 -0.088 6.936 -0.776 1.00 0.00 C ATOM 897 O GLN A 62 -0.795 7.875 -0.469 1.00 0.00 O ATOM 898 CB GLN A 62 1.430 5.845 0.898 1.00 0.00 C ATOM 899 CG GLN A 62 0.863 6.499 2.159 1.00 0.00 C ATOM 900 CD GLN A 62 1.122 5.594 3.365 1.00 0.00 C ATOM 901 OE1 GLN A 62 0.211 5.273 4.104 1.00 0.00 O ATOM 902 NE2 GLN A 62 2.333 5.166 3.597 1.00 0.00 N ATOM 0 H GLN A 62 1.075 8.840 0.381 1.00 0.00 H new ATOM 0 HA GLN A 62 1.962 6.500 -1.114 1.00 0.00 H new ATOM 0 HB2 GLN A 62 0.871 4.939 0.664 1.00 0.00 H new ATOM 0 HB3 GLN A 62 2.465 5.547 1.065 1.00 0.00 H new ATOM 0 HG2 GLN A 62 1.326 7.473 2.316 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -0.207 6.670 2.043 1.00 0.00 H new ATOM 0 HE21 GLN A 62 3.097 5.435 2.977 1.00 0.00 H new ATOM 0 HE22 GLN A 62 2.516 4.562 4.398 1.00 0.00 H new ATOM 911 N ILE A 63 -0.528 5.983 -1.548 1.00 0.00 N ATOM 912 CA ILE A 63 -1.918 6.032 -2.072 1.00 0.00 C ATOM 913 C ILE A 63 -2.603 4.673 -1.897 1.00 0.00 C ATOM 914 O ILE A 63 -1.963 3.641 -1.884 1.00 0.00 O ATOM 915 CB ILE A 63 -1.765 6.364 -3.555 1.00 0.00 C ATOM 916 CG1 ILE A 63 -1.250 5.135 -4.306 1.00 0.00 C ATOM 917 CG2 ILE A 63 -0.775 7.516 -3.724 1.00 0.00 C ATOM 918 CD1 ILE A 63 -2.429 4.230 -4.665 1.00 0.00 C ATOM 0 H ILE A 63 0.017 5.171 -1.839 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.531 6.764 -1.547 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.734 6.657 -3.960 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.724 5.441 -5.210 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.534 4.591 -3.689 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.668 7.751 -4.783 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.144 8.394 -3.193 1.00 0.00 H new ATOM 0 HG23 ILE A 63 0.194 7.226 -3.317 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -2.065 3.353 -5.200 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -2.936 3.914 -3.753 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -3.128 4.777 -5.298 1.00 0.00 H new ATOM 930 N GLU A 64 -3.900 4.668 -1.773 1.00 0.00 N ATOM 931 CA GLU A 64 -4.631 3.379 -1.613 1.00 0.00 C ATOM 932 C GLU A 64 -5.230 2.964 -2.957 1.00 0.00 C ATOM 933 O GLU A 64 -5.276 3.742 -3.888 1.00 0.00 O ATOM 934 CB GLU A 64 -5.735 3.670 -0.596 1.00 0.00 C ATOM 935 CG GLU A 64 -5.112 4.204 0.696 1.00 0.00 C ATOM 936 CD GLU A 64 -6.116 5.112 1.409 1.00 0.00 C ATOM 937 OE1 GLU A 64 -7.237 5.206 0.940 1.00 0.00 O ATOM 938 OE2 GLU A 64 -5.744 5.699 2.413 1.00 0.00 O ATOM 0 H GLU A 64 -4.487 5.502 -1.775 1.00 0.00 H new ATOM 0 HA GLU A 64 -3.985 2.567 -1.280 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.436 4.399 -1.003 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.303 2.763 -0.390 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.830 3.376 1.346 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -4.201 4.758 0.471 1.00 0.00 H new ATOM 945 N PHE A 65 -5.687 1.748 -3.075 1.00 0.00 N ATOM 946 CA PHE A 65 -6.274 1.311 -4.372 1.00 0.00 C ATOM 947 C PHE A 65 -7.208 2.393 -4.917 1.00 0.00 C ATOM 948 O PHE A 65 -6.902 3.054 -5.888 1.00 0.00 O ATOM 949 CB PHE A 65 -7.061 0.040 -4.064 1.00 0.00 C ATOM 950 CG PHE A 65 -7.902 -0.302 -5.266 1.00 0.00 C ATOM 951 CD1 PHE A 65 -7.282 -0.660 -6.468 1.00 0.00 C ATOM 952 CD2 PHE A 65 -9.298 -0.243 -5.186 1.00 0.00 C ATOM 953 CE1 PHE A 65 -8.057 -0.959 -7.592 1.00 0.00 C ATOM 954 CE2 PHE A 65 -10.073 -0.545 -6.310 1.00 0.00 C ATOM 955 CZ PHE A 65 -9.453 -0.902 -7.512 1.00 0.00 C ATOM 0 H PHE A 65 -5.680 1.044 -2.337 1.00 0.00 H new ATOM 0 HA PHE A 65 -5.505 1.135 -5.124 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.381 -0.780 -3.831 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -7.693 0.188 -3.189 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -6.205 -0.705 -6.527 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -9.776 0.035 -4.258 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -7.579 -1.234 -8.521 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -11.151 -0.503 -6.250 1.00 0.00 H new ATOM 0 HZ PHE A 65 -10.053 -1.134 -8.380 1.00 0.00 H new ATOM 965 N SER A 66 -8.347 2.570 -4.296 1.00 0.00 N ATOM 966 CA SER A 66 -9.319 3.607 -4.765 1.00 0.00 C ATOM 967 C SER A 66 -8.579 4.838 -5.299 1.00 0.00 C ATOM 968 O SER A 66 -8.933 5.387 -6.323 1.00 0.00 O ATOM 969 CB SER A 66 -10.134 3.971 -3.525 1.00 0.00 C ATOM 970 OG SER A 66 -10.397 5.368 -3.530 1.00 0.00 O ATOM 0 H SER A 66 -8.648 2.038 -3.479 1.00 0.00 H new ATOM 0 HA SER A 66 -9.946 3.242 -5.578 1.00 0.00 H new ATOM 0 HB2 SER A 66 -11.070 3.413 -3.514 1.00 0.00 H new ATOM 0 HB3 SER A 66 -9.588 3.695 -2.623 1.00 0.00 H new ATOM 0 HG SER A 66 -10.921 5.605 -2.737 1.00 0.00 H new ATOM 976 N GLU A 67 -7.546 5.266 -4.624 1.00 0.00 N ATOM 977 CA GLU A 67 -6.784 6.450 -5.113 1.00 0.00 C ATOM 978 C GLU A 67 -6.149 6.117 -6.463 1.00 0.00 C ATOM 979 O GLU A 67 -6.202 6.891 -7.398 1.00 0.00 O ATOM 980 CB GLU A 67 -5.711 6.702 -4.053 1.00 0.00 C ATOM 981 CG GLU A 67 -6.376 6.850 -2.684 1.00 0.00 C ATOM 982 CD GLU A 67 -5.439 7.605 -1.739 1.00 0.00 C ATOM 983 OE1 GLU A 67 -4.427 8.098 -2.210 1.00 0.00 O ATOM 984 OE2 GLU A 67 -5.750 7.679 -0.562 1.00 0.00 O ATOM 0 H GLU A 67 -7.199 4.849 -3.760 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.412 7.329 -5.256 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -4.999 5.877 -4.037 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.148 7.603 -4.296 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.320 7.387 -2.783 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.609 5.868 -2.273 1.00 0.00 H new ATOM 991 N PHE A 68 -5.565 4.955 -6.575 1.00 0.00 N ATOM 992 CA PHE A 68 -4.943 4.550 -7.866 1.00 0.00 C ATOM 993 C PHE A 68 -6.001 4.619 -8.974 1.00 0.00 C ATOM 994 O PHE A 68 -5.697 4.873 -10.123 1.00 0.00 O ATOM 995 CB PHE A 68 -4.467 3.110 -7.630 1.00 0.00 C ATOM 996 CG PHE A 68 -4.427 2.344 -8.933 1.00 0.00 C ATOM 997 CD1 PHE A 68 -3.729 2.859 -10.031 1.00 0.00 C ATOM 998 CD2 PHE A 68 -5.087 1.112 -9.037 1.00 0.00 C ATOM 999 CE1 PHE A 68 -3.692 2.143 -11.234 1.00 0.00 C ATOM 1000 CE2 PHE A 68 -5.048 0.397 -10.239 1.00 0.00 C ATOM 1001 CZ PHE A 68 -4.350 0.913 -11.338 1.00 0.00 C ATOM 0 H PHE A 68 -5.492 4.267 -5.825 1.00 0.00 H new ATOM 0 HA PHE A 68 -4.118 5.192 -8.174 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -3.476 3.118 -7.176 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -5.135 2.611 -6.928 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -3.219 3.808 -9.951 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.626 0.715 -8.189 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -3.155 2.541 -12.082 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.556 -0.553 -10.319 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.320 0.361 -12.266 1.00 0.00 H new ATOM 1011 N LEU A 69 -7.240 4.403 -8.628 1.00 0.00 N ATOM 1012 CA LEU A 69 -8.325 4.464 -9.649 1.00 0.00 C ATOM 1013 C LEU A 69 -8.616 5.923 -10.008 1.00 0.00 C ATOM 1014 O LEU A 69 -8.952 6.245 -11.130 1.00 0.00 O ATOM 1015 CB LEU A 69 -9.540 3.828 -8.973 1.00 0.00 C ATOM 1016 CG LEU A 69 -9.552 2.325 -9.245 1.00 0.00 C ATOM 1017 CD1 LEU A 69 -9.854 2.075 -10.722 1.00 0.00 C ATOM 1018 CD2 LEU A 69 -8.184 1.733 -8.898 1.00 0.00 C ATOM 0 H LEU A 69 -7.549 4.186 -7.680 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.059 3.950 -10.573 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -9.509 4.013 -7.899 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -10.457 4.283 -9.348 1.00 0.00 H new ATOM 0 HG LEU A 69 -10.320 1.852 -8.632 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -9.862 1.002 -10.915 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -10.828 2.496 -10.971 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -9.087 2.548 -11.335 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.192 0.660 -9.092 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -7.417 2.207 -9.510 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.968 1.910 -7.844 1.00 0.00 H new ATOM 1030 N ALA A 70 -8.489 6.807 -9.056 1.00 0.00 N ATOM 1031 CA ALA A 70 -8.756 8.248 -9.329 1.00 0.00 C ATOM 1032 C ALA A 70 -7.757 8.785 -10.357 1.00 0.00 C ATOM 1033 O ALA A 70 -8.121 9.476 -11.288 1.00 0.00 O ATOM 1034 CB ALA A 70 -8.565 8.944 -7.981 1.00 0.00 C ATOM 0 H ALA A 70 -8.211 6.593 -8.098 1.00 0.00 H new ATOM 0 HA ALA A 70 -9.752 8.415 -9.738 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -8.744 10.013 -8.095 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -9.269 8.534 -7.257 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -7.546 8.782 -7.629 1.00 0.00 H new ATOM 1040 N LEU A 71 -6.500 8.471 -10.199 1.00 0.00 N ATOM 1041 CA LEU A 71 -5.480 8.965 -11.167 1.00 0.00 C ATOM 1042 C LEU A 71 -5.398 8.026 -12.374 1.00 0.00 C ATOM 1043 O LEU A 71 -5.257 8.460 -13.501 1.00 0.00 O ATOM 1044 CB LEU A 71 -4.162 8.958 -10.392 1.00 0.00 C ATOM 1045 CG LEU A 71 -3.510 10.338 -10.482 1.00 0.00 C ATOM 1046 CD1 LEU A 71 -3.345 10.731 -11.951 1.00 0.00 C ATOM 1047 CD2 LEU A 71 -4.398 11.367 -9.778 1.00 0.00 C ATOM 0 H LEU A 71 -6.135 7.894 -9.441 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.721 9.956 -11.551 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.342 8.697 -9.349 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.492 8.200 -10.799 1.00 0.00 H new ATOM 0 HG LEU A 71 -2.532 10.309 -10.001 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.880 11.715 -12.014 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.714 9.999 -12.455 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -4.323 10.760 -12.432 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.934 12.352 -9.841 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -5.375 11.394 -10.260 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.517 11.089 -8.731 1.00 0.00 H new ATOM 1059 N MET A 72 -5.484 6.744 -12.149 1.00 0.00 N ATOM 1060 CA MET A 72 -5.409 5.780 -13.284 1.00 0.00 C ATOM 1061 C MET A 72 -6.528 6.062 -14.292 1.00 0.00 C ATOM 1062 O MET A 72 -6.373 6.858 -15.197 1.00 0.00 O ATOM 1063 CB MET A 72 -5.588 4.402 -12.647 1.00 0.00 C ATOM 1064 CG MET A 72 -5.645 3.337 -13.743 1.00 0.00 C ATOM 1065 SD MET A 72 -4.217 3.523 -14.840 1.00 0.00 S ATOM 1066 CE MET A 72 -3.613 1.822 -14.717 1.00 0.00 C ATOM 0 H MET A 72 -5.603 6.322 -11.228 1.00 0.00 H new ATOM 0 HA MET A 72 -4.468 5.854 -13.829 1.00 0.00 H new ATOM 0 HB2 MET A 72 -4.763 4.194 -11.966 1.00 0.00 H new ATOM 0 HB3 MET A 72 -6.503 4.379 -12.055 1.00 0.00 H new ATOM 0 HG2 MET A 72 -5.648 2.342 -13.298 1.00 0.00 H new ATOM 0 HG3 MET A 72 -6.569 3.435 -14.312 1.00 0.00 H new ATOM 0 HE1 MET A 72 -2.614 1.821 -14.281 1.00 0.00 H new ATOM 0 HE2 MET A 72 -4.285 1.242 -14.084 1.00 0.00 H new ATOM 0 HE3 MET A 72 -3.576 1.376 -15.711 1.00 0.00 H new