USER MOD reduce.3.24.130724 H: found=0, std=0, add=631, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 628 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 69 THR OG1 : rot 180:sc= 0.939 USER MOD Set 1.2: A 72 SER OG : rot 74:sc= 0.794 USER MOD Set 2.1: A 63 SER OG : rot 180:sc= -0.0185 USER MOD Set 2.2: A 66 THR OG1 : rot -127:sc= 0.778 USER MOD Set 3.1: A 9 ASN : amide:sc= 0.657 K(o=1.5,f=-11!) USER MOD Set 3.2: A 21 LYS NZ :NH3+ 162:sc= 0.83 (180deg=-0.379) USER MOD Single : A 1 MET CE :methyl -147:sc= 0 (180deg=-0.356) USER MOD Single : A 1 MET N :NH3+ 159:sc= 1.29 (180deg=1.07) USER MOD Single : A 2 GLN : amide:sc= -1.79! K(o=-1.8!,f=0.08) USER MOD Single : A 3 HIS : no HD1:sc= -0.741 X(o=-0.74,f=-1.1) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 22 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 23 THR OG1 : rot -41:sc= 0.269 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 150:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 0.0633 K(o=0.063,f=-0.51) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc=-0.00329 K(o=-0.0033,f=-0.58) USER MOD Single : A 47 THR OG1 : rot 78:sc= 0.873 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -0.0199 X(o=-0.02,f=-0.02) USER MOD Single : A 79 HIS : no HD1:sc= -0.378 X(o=-0.38,f=0.079) USER MOD Single : A 80 LYS NZ :NH3+ -174:sc= 0.849 (180deg=0.82) USER MOD Single : A 82 SER OG : rot 82:sc= 1.17 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.962 -8.934 -5.498 1.00 0.00 N ATOM 2 CA MET A 1 -6.567 -8.540 -5.221 1.00 0.00 C ATOM 3 C MET A 1 -5.863 -9.628 -4.414 1.00 0.00 C ATOM 4 O MET A 1 -6.439 -10.200 -3.487 1.00 0.00 O ATOM 5 CB MET A 1 -6.507 -7.164 -4.497 1.00 0.00 C ATOM 6 CG MET A 1 -6.734 -5.980 -5.437 1.00 0.00 C ATOM 7 SD MET A 1 -8.298 -6.105 -6.340 1.00 0.00 S ATOM 8 CE MET A 1 -8.016 -5.012 -7.734 1.00 0.00 C ATOM 0 H1 MET A 1 -8.525 -8.087 -5.717 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.984 -9.584 -6.309 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.361 -9.408 -4.663 1.00 0.00 H new ATOM 0 HA MET A 1 -6.043 -8.428 -6.170 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.259 -7.143 -3.708 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.535 -7.056 -4.015 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.723 -5.055 -4.861 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.910 -5.922 -6.149 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.954 -4.535 -8.018 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.289 -4.248 -7.456 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.633 -5.588 -8.576 1.00 0.00 H new ATOM 18 N GLN A 2 -4.622 -9.925 -4.813 1.00 0.00 N ATOM 19 CA GLN A 2 -3.746 -10.895 -4.140 1.00 0.00 C ATOM 20 C GLN A 2 -2.749 -10.173 -3.226 1.00 0.00 C ATOM 21 O GLN A 2 -2.472 -10.641 -2.120 1.00 0.00 O ATOM 22 CB GLN A 2 -3.000 -11.811 -5.165 1.00 0.00 C ATOM 23 CG GLN A 2 -2.447 -11.112 -6.439 1.00 0.00 C ATOM 24 CD GLN A 2 -3.440 -11.127 -7.612 1.00 0.00 C ATOM 25 OE1 GLN A 2 -3.493 -12.082 -8.378 1.00 0.00 O ATOM 26 NE2 GLN A 2 -4.194 -10.064 -7.789 1.00 0.00 N ATOM 0 H GLN A 2 -4.188 -9.491 -5.628 1.00 0.00 H new ATOM 0 HA GLN A 2 -4.375 -11.541 -3.528 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -2.168 -12.293 -4.651 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -3.683 -12.601 -5.477 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -2.193 -10.080 -6.199 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -1.524 -11.605 -6.745 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -4.133 -9.281 -7.138 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -4.840 -10.023 -8.577 1.00 0.00 H new ATOM 35 N HIS A 3 -2.256 -9.000 -3.682 1.00 0.00 N ATOM 36 CA HIS A 3 -1.122 -8.297 -3.053 1.00 0.00 C ATOM 37 C HIS A 3 -1.463 -7.674 -1.687 1.00 0.00 C ATOM 38 O HIS A 3 -0.552 -7.459 -0.896 1.00 0.00 O ATOM 39 CB HIS A 3 -0.546 -7.216 -4.008 1.00 0.00 C ATOM 40 CG HIS A 3 0.124 -7.759 -5.249 1.00 0.00 C ATOM 41 ND1 HIS A 3 0.920 -8.883 -5.245 1.00 0.00 N ATOM 42 CD2 HIS A 3 0.131 -7.312 -6.527 1.00 0.00 C ATOM 43 CE1 HIS A 3 1.378 -9.101 -6.457 1.00 0.00 C ATOM 44 NE2 HIS A 3 0.914 -8.165 -7.259 1.00 0.00 N ATOM 0 H HIS A 3 -2.635 -8.516 -4.496 1.00 0.00 H new ATOM 0 HA HIS A 3 -0.366 -9.059 -2.865 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -1.354 -6.550 -4.310 1.00 0.00 H new ATOM 0 HB3 HIS A 3 0.175 -6.612 -3.457 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -0.387 -6.441 -6.901 1.00 0.00 H new ATOM 0 HE1 HIS A 3 2.028 -9.913 -6.748 1.00 0.00 H new ATOM 0 HE2 HIS A 3 1.106 -8.088 -8.258 1.00 0.00 H new ATOM 53 N LEU A 4 -2.767 -7.419 -1.417 1.00 0.00 N ATOM 54 CA LEU A 4 -3.248 -6.750 -0.169 1.00 0.00 C ATOM 55 C LEU A 4 -2.707 -7.410 1.122 1.00 0.00 C ATOM 56 O LEU A 4 -2.493 -6.728 2.129 1.00 0.00 O ATOM 57 CB LEU A 4 -4.814 -6.704 -0.107 1.00 0.00 C ATOM 58 CG LEU A 4 -5.579 -8.017 0.302 1.00 0.00 C ATOM 59 CD1 LEU A 4 -7.097 -7.776 0.385 1.00 0.00 C ATOM 60 CD2 LEU A 4 -5.273 -9.199 -0.642 1.00 0.00 C ATOM 0 H LEU A 4 -3.521 -7.670 -2.056 1.00 0.00 H new ATOM 0 HA LEU A 4 -2.854 -5.735 -0.216 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -5.097 -5.921 0.596 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -5.178 -6.398 -1.088 1.00 0.00 H new ATOM 0 HG LEU A 4 -5.214 -8.290 1.292 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -7.597 -8.702 0.670 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -7.303 -7.008 1.130 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -7.467 -7.447 -0.586 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -5.826 -10.079 -0.314 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -5.572 -8.940 -1.658 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -4.205 -9.414 -0.622 1.00 0.00 H new ATOM 72 N GLU A 5 -2.489 -8.739 1.068 1.00 0.00 N ATOM 73 CA GLU A 5 -2.064 -9.524 2.232 1.00 0.00 C ATOM 74 C GLU A 5 -0.575 -9.286 2.553 1.00 0.00 C ATOM 75 O GLU A 5 -0.194 -9.175 3.722 1.00 0.00 O ATOM 76 CB GLU A 5 -2.371 -11.024 2.024 1.00 0.00 C ATOM 77 CG GLU A 5 -2.017 -11.900 3.240 1.00 0.00 C ATOM 78 CD GLU A 5 -2.503 -13.346 3.103 1.00 0.00 C ATOM 79 OE1 GLU A 5 -3.651 -13.636 3.501 1.00 0.00 O ATOM 80 OE2 GLU A 5 -1.748 -14.189 2.580 1.00 0.00 O ATOM 0 H GLU A 5 -2.603 -9.291 0.218 1.00 0.00 H new ATOM 0 HA GLU A 5 -2.637 -9.187 3.096 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -3.431 -11.141 1.798 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -1.819 -11.382 1.155 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -0.936 -11.898 3.379 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -2.454 -11.460 4.136 1.00 0.00 H new ATOM 87 N ALA A 6 0.253 -9.202 1.506 1.00 0.00 N ATOM 88 CA ALA A 6 1.678 -8.848 1.636 1.00 0.00 C ATOM 89 C ALA A 6 1.847 -7.362 2.015 1.00 0.00 C ATOM 90 O ALA A 6 2.821 -7.005 2.675 1.00 0.00 O ATOM 91 CB ALA A 6 2.439 -9.181 0.352 1.00 0.00 C ATOM 0 H ALA A 6 -0.041 -9.376 0.545 1.00 0.00 H new ATOM 0 HA ALA A 6 2.103 -9.445 2.443 1.00 0.00 H new ATOM 0 HB1 ALA A 6 3.488 -8.911 0.471 1.00 0.00 H new ATOM 0 HB2 ALA A 6 2.359 -10.249 0.148 1.00 0.00 H new ATOM 0 HB3 ALA A 6 2.012 -8.620 -0.480 1.00 0.00 H new ATOM 97 N VAL A 7 0.878 -6.514 1.605 1.00 0.00 N ATOM 98 CA VAL A 7 0.856 -5.087 1.975 1.00 0.00 C ATOM 99 C VAL A 7 0.611 -4.947 3.496 1.00 0.00 C ATOM 100 O VAL A 7 1.353 -4.248 4.185 1.00 0.00 O ATOM 101 CB VAL A 7 -0.240 -4.261 1.189 1.00 0.00 C ATOM 102 CG1 VAL A 7 -0.262 -2.789 1.673 1.00 0.00 C ATOM 103 CG2 VAL A 7 -0.033 -4.319 -0.346 1.00 0.00 C ATOM 0 H VAL A 7 0.097 -6.799 1.014 1.00 0.00 H new ATOM 0 HA VAL A 7 1.827 -4.675 1.702 1.00 0.00 H new ATOM 0 HB VAL A 7 -1.203 -4.724 1.404 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -1.022 -2.236 1.121 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -0.493 -2.760 2.738 1.00 0.00 H new ATOM 0 HG13 VAL A 7 0.714 -2.335 1.501 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -0.811 -3.737 -0.840 1.00 0.00 H new ATOM 0 HG22 VAL A 7 0.944 -3.907 -0.597 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -0.087 -5.355 -0.682 1.00 0.00 H new ATOM 113 N ARG A 8 -0.423 -5.655 4.014 1.00 0.00 N ATOM 114 CA ARG A 8 -0.775 -5.606 5.454 1.00 0.00 C ATOM 115 C ARG A 8 0.283 -6.333 6.283 1.00 0.00 C ATOM 116 O ARG A 8 0.446 -6.029 7.456 1.00 0.00 O ATOM 117 CB ARG A 8 -2.190 -6.178 5.743 1.00 0.00 C ATOM 118 CG ARG A 8 -2.366 -7.676 5.453 1.00 0.00 C ATOM 119 CD ARG A 8 -3.808 -8.162 5.657 1.00 0.00 C ATOM 120 NE ARG A 8 -3.967 -9.587 5.314 1.00 0.00 N ATOM 121 CZ ARG A 8 -5.119 -10.272 5.368 1.00 0.00 C ATOM 122 NH1 ARG A 8 -6.220 -9.714 5.850 1.00 0.00 N ATOM 123 NH2 ARG A 8 -5.157 -11.528 4.958 1.00 0.00 N ATOM 0 H ARG A 8 -1.025 -6.264 3.459 1.00 0.00 H new ATOM 0 HA ARG A 8 -0.797 -4.556 5.744 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -2.429 -5.997 6.791 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -2.916 -5.622 5.150 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -2.062 -7.880 4.426 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -1.701 -8.246 6.102 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -4.099 -8.005 6.695 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -4.482 -7.564 5.043 1.00 0.00 H new ATOM 0 HE ARG A 8 -3.134 -10.092 5.011 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -6.199 -8.751 6.186 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -7.089 -10.247 5.885 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -4.312 -11.974 4.602 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -6.032 -12.051 4.998 1.00 0.00 H new ATOM 137 N ASN A 9 0.999 -7.291 5.653 1.00 0.00 N ATOM 138 CA ASN A 9 2.142 -7.981 6.268 1.00 0.00 C ATOM 139 C ASN A 9 3.246 -6.953 6.589 1.00 0.00 C ATOM 140 O ASN A 9 3.747 -6.887 7.718 1.00 0.00 O ATOM 141 CB ASN A 9 2.676 -9.079 5.310 1.00 0.00 C ATOM 142 CG ASN A 9 3.894 -9.855 5.835 1.00 0.00 C ATOM 143 OD1 ASN A 9 4.038 -10.097 7.030 1.00 0.00 O ATOM 144 ND2 ASN A 9 4.781 -10.245 4.940 1.00 0.00 N ATOM 0 H ASN A 9 0.796 -7.604 4.704 1.00 0.00 H new ATOM 0 HA ASN A 9 1.826 -8.461 7.194 1.00 0.00 H new ATOM 0 HB2 ASN A 9 1.872 -9.786 5.107 1.00 0.00 H new ATOM 0 HB3 ASN A 9 2.940 -8.615 4.360 1.00 0.00 H new ATOM 0 HD21 ASN A 9 5.610 -10.761 5.235 1.00 0.00 H new ATOM 0 HD22 ASN A 9 4.638 -10.031 3.953 1.00 0.00 H new ATOM 151 N ILE A 10 3.559 -6.132 5.568 1.00 0.00 N ATOM 152 CA ILE A 10 4.546 -5.045 5.647 1.00 0.00 C ATOM 153 C ILE A 10 4.157 -4.002 6.708 1.00 0.00 C ATOM 154 O ILE A 10 4.970 -3.666 7.558 1.00 0.00 O ATOM 155 CB ILE A 10 4.723 -4.357 4.237 1.00 0.00 C ATOM 156 CG1 ILE A 10 5.416 -5.341 3.239 1.00 0.00 C ATOM 157 CG2 ILE A 10 5.491 -3.014 4.332 1.00 0.00 C ATOM 158 CD1 ILE A 10 5.477 -4.857 1.803 1.00 0.00 C ATOM 0 H ILE A 10 3.123 -6.210 4.649 1.00 0.00 H new ATOM 0 HA ILE A 10 5.497 -5.484 5.948 1.00 0.00 H new ATOM 0 HB ILE A 10 3.730 -4.118 3.857 1.00 0.00 H new ATOM 0 HG12 ILE A 10 6.431 -5.532 3.586 1.00 0.00 H new ATOM 0 HG13 ILE A 10 4.886 -6.293 3.264 1.00 0.00 H new ATOM 0 HG21 ILE A 10 5.588 -2.579 3.337 1.00 0.00 H new ATOM 0 HG22 ILE A 10 4.944 -2.327 4.977 1.00 0.00 H new ATOM 0 HG23 ILE A 10 6.483 -3.191 4.749 1.00 0.00 H new ATOM 0 HD11 ILE A 10 5.975 -5.606 1.187 1.00 0.00 H new ATOM 0 HD12 ILE A 10 4.466 -4.695 1.430 1.00 0.00 H new ATOM 0 HD13 ILE A 10 6.035 -3.922 1.758 1.00 0.00 H new ATOM 170 N LEU A 11 2.914 -3.497 6.649 1.00 0.00 N ATOM 171 CA LEU A 11 2.426 -2.491 7.614 1.00 0.00 C ATOM 172 C LEU A 11 2.336 -3.087 9.037 1.00 0.00 C ATOM 173 O LEU A 11 2.601 -2.400 10.012 1.00 0.00 O ATOM 174 CB LEU A 11 1.069 -1.868 7.155 1.00 0.00 C ATOM 175 CG LEU A 11 1.171 -0.701 6.107 1.00 0.00 C ATOM 176 CD1 LEU A 11 1.752 -1.161 4.747 1.00 0.00 C ATOM 177 CD2 LEU A 11 -0.191 -0.005 5.924 1.00 0.00 C ATOM 0 H LEU A 11 2.227 -3.767 5.945 1.00 0.00 H new ATOM 0 HA LEU A 11 3.152 -1.678 7.646 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.453 -2.660 6.730 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.546 -1.495 8.036 1.00 0.00 H new ATOM 0 HG LEU A 11 1.878 0.023 6.514 1.00 0.00 H new ATOM 0 HD11 LEU A 11 1.798 -0.312 4.065 1.00 0.00 H new ATOM 0 HD12 LEU A 11 2.755 -1.561 4.896 1.00 0.00 H new ATOM 0 HD13 LEU A 11 1.113 -1.934 4.321 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -0.094 0.799 5.194 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.925 -0.729 5.571 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.519 0.409 6.878 1.00 0.00 H new ATOM 189 N GLY A 12 1.996 -4.376 9.135 1.00 0.00 N ATOM 190 CA GLY A 12 1.965 -5.072 10.419 1.00 0.00 C ATOM 191 C GLY A 12 3.349 -5.352 10.984 1.00 0.00 C ATOM 192 O GLY A 12 3.492 -5.590 12.186 1.00 0.00 O ATOM 0 H GLY A 12 1.738 -4.957 8.337 1.00 0.00 H new ATOM 0 HA2 GLY A 12 1.402 -4.474 11.135 1.00 0.00 H new ATOM 0 HA3 GLY A 12 1.431 -6.015 10.301 1.00 0.00 H new ATOM 196 N ASP A 13 4.360 -5.357 10.108 1.00 0.00 N ATOM 197 CA ASP A 13 5.768 -5.547 10.496 1.00 0.00 C ATOM 198 C ASP A 13 6.376 -4.208 10.967 1.00 0.00 C ATOM 199 O ASP A 13 6.836 -4.077 12.106 1.00 0.00 O ATOM 200 CB ASP A 13 6.556 -6.102 9.275 1.00 0.00 C ATOM 201 CG ASP A 13 7.997 -6.525 9.602 1.00 0.00 C ATOM 202 OD1 ASP A 13 8.903 -5.663 9.599 1.00 0.00 O ATOM 203 OD2 ASP A 13 8.232 -7.724 9.853 1.00 0.00 O ATOM 0 H ASP A 13 4.227 -5.229 9.105 1.00 0.00 H new ATOM 0 HA ASP A 13 5.830 -6.257 11.321 1.00 0.00 H new ATOM 0 HB2 ASP A 13 6.020 -6.960 8.869 1.00 0.00 H new ATOM 0 HB3 ASP A 13 6.580 -5.342 8.494 1.00 0.00 H new ATOM 208 N VAL A 14 6.313 -3.213 10.070 1.00 0.00 N ATOM 209 CA VAL A 14 6.966 -1.904 10.223 1.00 0.00 C ATOM 210 C VAL A 14 6.260 -1.072 11.309 1.00 0.00 C ATOM 211 O VAL A 14 6.913 -0.521 12.202 1.00 0.00 O ATOM 212 CB VAL A 14 6.983 -1.132 8.845 1.00 0.00 C ATOM 213 CG1 VAL A 14 7.589 0.288 8.981 1.00 0.00 C ATOM 214 CG2 VAL A 14 7.739 -1.950 7.762 1.00 0.00 C ATOM 0 H VAL A 14 5.794 -3.298 9.196 1.00 0.00 H new ATOM 0 HA VAL A 14 7.997 -2.065 10.536 1.00 0.00 H new ATOM 0 HB VAL A 14 5.946 -1.014 8.530 1.00 0.00 H new ATOM 0 HG11 VAL A 14 7.580 0.782 8.009 1.00 0.00 H new ATOM 0 HG12 VAL A 14 6.998 0.869 9.689 1.00 0.00 H new ATOM 0 HG13 VAL A 14 8.615 0.213 9.341 1.00 0.00 H new ATOM 0 HG21 VAL A 14 7.737 -1.398 6.822 1.00 0.00 H new ATOM 0 HG22 VAL A 14 8.767 -2.116 8.083 1.00 0.00 H new ATOM 0 HG23 VAL A 14 7.244 -2.910 7.620 1.00 0.00 H new ATOM 224 N LEU A 15 4.917 -1.016 11.244 1.00 0.00 N ATOM 225 CA LEU A 15 4.104 -0.265 12.229 1.00 0.00 C ATOM 226 C LEU A 15 3.855 -1.120 13.491 1.00 0.00 C ATOM 227 O LEU A 15 3.257 -0.635 14.455 1.00 0.00 O ATOM 228 CB LEU A 15 2.754 0.182 11.607 1.00 0.00 C ATOM 229 CG LEU A 15 2.832 0.924 10.240 1.00 0.00 C ATOM 230 CD1 LEU A 15 1.428 1.338 9.743 1.00 0.00 C ATOM 231 CD2 LEU A 15 3.788 2.127 10.314 1.00 0.00 C ATOM 0 H LEU A 15 4.368 -1.481 10.521 1.00 0.00 H new ATOM 0 HA LEU A 15 4.661 0.627 12.516 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.127 -0.701 11.481 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.248 0.833 12.320 1.00 0.00 H new ATOM 0 HG LEU A 15 3.241 0.229 9.507 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.518 1.853 8.787 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.809 0.449 9.619 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.966 2.004 10.472 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.822 2.625 9.345 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.433 2.828 11.070 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.787 1.782 10.580 1.00 0.00 H new ATOM 243 N ASN A 16 4.279 -2.408 13.436 1.00 0.00 N ATOM 244 CA ASN A 16 4.289 -3.336 14.583 1.00 0.00 C ATOM 245 C ASN A 16 2.851 -3.600 15.093 1.00 0.00 C ATOM 246 O ASN A 16 2.490 -3.261 16.222 1.00 0.00 O ATOM 247 CB ASN A 16 5.253 -2.833 15.706 1.00 0.00 C ATOM 248 CG ASN A 16 5.505 -3.859 16.821 1.00 0.00 C ATOM 249 OD1 ASN A 16 4.799 -3.891 17.833 1.00 0.00 O ATOM 250 ND2 ASN A 16 6.507 -4.713 16.636 1.00 0.00 N ATOM 0 H ASN A 16 4.628 -2.833 12.577 1.00 0.00 H new ATOM 0 HA ASN A 16 4.682 -4.297 14.250 1.00 0.00 H new ATOM 0 HB2 ASN A 16 6.207 -2.560 15.256 1.00 0.00 H new ATOM 0 HB3 ASN A 16 4.838 -1.927 16.147 1.00 0.00 H new ATOM 0 HD21 ASN A 16 6.711 -5.421 17.342 1.00 0.00 H new ATOM 0 HD22 ASN A 16 7.072 -4.660 15.788 1.00 0.00 H new ATOM 257 N LEU A 17 2.017 -4.142 14.191 1.00 0.00 N ATOM 258 CA LEU A 17 0.646 -4.605 14.509 1.00 0.00 C ATOM 259 C LEU A 17 0.691 -6.082 14.941 1.00 0.00 C ATOM 260 O LEU A 17 -0.151 -6.526 15.728 1.00 0.00 O ATOM 261 CB LEU A 17 -0.301 -4.427 13.275 1.00 0.00 C ATOM 262 CG LEU A 17 -0.889 -2.992 13.021 1.00 0.00 C ATOM 263 CD1 LEU A 17 0.192 -1.898 13.008 1.00 0.00 C ATOM 264 CD2 LEU A 17 -1.714 -2.964 11.708 1.00 0.00 C ATOM 0 H LEU A 17 2.272 -4.275 13.212 1.00 0.00 H new ATOM 0 HA LEU A 17 0.250 -4.002 15.326 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.247 -4.730 12.383 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.136 -5.119 13.387 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.548 -2.770 13.860 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.273 -0.929 12.828 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.705 -1.882 13.970 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.912 -2.107 12.217 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.113 -1.962 11.550 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.073 -3.236 10.870 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.537 -3.675 11.780 1.00 0.00 H new ATOM 276 N GLY A 18 1.682 -6.823 14.398 1.00 0.00 N ATOM 277 CA GLY A 18 1.845 -8.250 14.664 1.00 0.00 C ATOM 278 C GLY A 18 0.721 -9.081 14.065 1.00 0.00 C ATOM 279 O GLY A 18 0.801 -9.500 12.913 1.00 0.00 O ATOM 0 H GLY A 18 2.385 -6.440 13.766 1.00 0.00 H new ATOM 0 HA2 GLY A 18 2.799 -8.586 14.258 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.881 -8.415 15.741 1.00 0.00 H new ATOM 283 N GLU A 19 -0.343 -9.282 14.850 1.00 0.00 N ATOM 284 CA GLU A 19 -1.513 -10.083 14.458 1.00 0.00 C ATOM 285 C GLU A 19 -2.688 -9.168 14.022 1.00 0.00 C ATOM 286 O GLU A 19 -3.594 -9.621 13.327 1.00 0.00 O ATOM 287 CB GLU A 19 -1.925 -11.000 15.645 1.00 0.00 C ATOM 288 CG GLU A 19 -3.018 -12.035 15.309 1.00 0.00 C ATOM 289 CD GLU A 19 -3.506 -12.827 16.529 1.00 0.00 C ATOM 290 OE1 GLU A 19 -4.398 -12.332 17.253 1.00 0.00 O ATOM 291 OE2 GLU A 19 -3.000 -13.942 16.775 1.00 0.00 O ATOM 0 H GLU A 19 -0.419 -8.889 15.788 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.254 -10.706 13.602 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -1.041 -11.528 16.003 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.276 -10.374 16.465 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.866 -11.522 14.856 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.632 -12.731 14.565 1.00 0.00 H new ATOM 298 N ARG A 20 -2.654 -7.873 14.415 1.00 0.00 N ATOM 299 CA ARG A 20 -3.746 -6.896 14.114 1.00 0.00 C ATOM 300 C ARG A 20 -3.901 -6.685 12.583 1.00 0.00 C ATOM 301 O ARG A 20 -4.992 -6.371 12.095 1.00 0.00 O ATOM 302 CB ARG A 20 -3.474 -5.559 14.883 1.00 0.00 C ATOM 303 CG ARG A 20 -4.655 -4.538 14.978 1.00 0.00 C ATOM 304 CD ARG A 20 -4.830 -3.651 13.730 1.00 0.00 C ATOM 305 NE ARG A 20 -5.893 -2.645 13.901 1.00 0.00 N ATOM 306 CZ ARG A 20 -7.081 -2.642 13.277 1.00 0.00 C ATOM 307 NH1 ARG A 20 -7.400 -3.591 12.397 1.00 0.00 N ATOM 308 NH2 ARG A 20 -7.938 -1.666 13.535 1.00 0.00 N ATOM 0 H ARG A 20 -1.880 -7.471 14.945 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.699 -7.295 14.462 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -3.161 -5.810 15.897 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.632 -5.059 14.404 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.581 -5.087 15.152 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.497 -3.897 15.845 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -3.889 -3.147 13.511 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.063 -4.280 12.871 1.00 0.00 H new ATOM 0 HE ARG A 20 -5.709 -1.882 14.553 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.736 -4.337 12.188 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -8.308 -3.572 11.933 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -7.691 -0.932 14.199 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -8.846 -1.648 13.070 1.00 0.00 H new ATOM 322 N LYS A 21 -2.803 -6.890 11.838 1.00 0.00 N ATOM 323 CA LYS A 21 -2.809 -6.859 10.360 1.00 0.00 C ATOM 324 C LYS A 21 -3.712 -7.981 9.775 1.00 0.00 C ATOM 325 O LYS A 21 -4.390 -7.785 8.770 1.00 0.00 O ATOM 326 CB LYS A 21 -1.370 -6.991 9.828 1.00 0.00 C ATOM 327 CG LYS A 21 -0.698 -8.318 10.194 1.00 0.00 C ATOM 328 CD LYS A 21 0.707 -8.476 9.609 1.00 0.00 C ATOM 329 CE LYS A 21 1.198 -9.912 9.725 1.00 0.00 C ATOM 330 NZ LYS A 21 2.612 -10.059 9.322 1.00 0.00 N ATOM 0 H LYS A 21 -1.885 -7.082 12.239 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.222 -5.903 10.039 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.382 -6.887 8.743 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.770 -6.170 10.220 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.642 -8.400 11.279 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -1.322 -9.140 9.844 1.00 0.00 H new ATOM 0 HD2 LYS A 21 0.703 -8.175 8.561 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.396 -7.811 10.129 1.00 0.00 H new ATOM 0 HE2 LYS A 21 1.079 -10.252 10.754 1.00 0.00 H new ATOM 0 HE3 LYS A 21 0.577 -10.557 9.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 2.988 -10.954 9.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 2.679 -10.061 8.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 3.166 -9.266 9.703 1.00 0.00 H new ATOM 344 N HIS A 22 -3.729 -9.133 10.463 1.00 0.00 N ATOM 345 CA HIS A 22 -4.451 -10.346 10.038 1.00 0.00 C ATOM 346 C HIS A 22 -5.980 -10.145 10.141 1.00 0.00 C ATOM 347 O HIS A 22 -6.736 -10.743 9.370 1.00 0.00 O ATOM 348 CB HIS A 22 -3.979 -11.543 10.915 1.00 0.00 C ATOM 349 CG HIS A 22 -4.514 -12.906 10.542 1.00 0.00 C ATOM 350 ND1 HIS A 22 -3.852 -13.761 9.688 1.00 0.00 N ATOM 351 CD2 HIS A 22 -5.636 -13.570 10.925 1.00 0.00 C ATOM 352 CE1 HIS A 22 -4.528 -14.881 9.570 1.00 0.00 C ATOM 353 NE2 HIS A 22 -5.615 -14.795 10.310 1.00 0.00 N ATOM 0 H HIS A 22 -3.233 -9.252 11.346 1.00 0.00 H new ATOM 0 HA HIS A 22 -4.227 -10.556 8.992 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -2.890 -11.583 10.880 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -4.257 -11.339 11.949 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -6.402 -13.201 11.591 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -4.241 -15.730 8.967 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -6.325 -15.521 10.409 1.00 0.00 H new ATOM 362 N THR A 23 -6.426 -9.283 11.086 1.00 0.00 N ATOM 363 CA THR A 23 -7.870 -9.088 11.374 1.00 0.00 C ATOM 364 C THR A 23 -8.483 -7.915 10.572 1.00 0.00 C ATOM 365 O THR A 23 -9.707 -7.717 10.605 1.00 0.00 O ATOM 366 CB THR A 23 -8.143 -8.903 12.912 1.00 0.00 C ATOM 367 OG1 THR A 23 -9.556 -9.016 13.184 1.00 0.00 O ATOM 368 CG2 THR A 23 -7.625 -7.557 13.457 1.00 0.00 C ATOM 0 H THR A 23 -5.808 -8.711 11.662 1.00 0.00 H new ATOM 0 HA THR A 23 -8.365 -10.003 11.048 1.00 0.00 H new ATOM 0 HB THR A 23 -7.594 -9.695 13.422 1.00 0.00 H new ATOM 0 HG1 THR A 23 -10.062 -8.548 12.487 1.00 0.00 H new ATOM 0 HG21 THR A 23 -7.843 -7.488 14.523 1.00 0.00 H new ATOM 0 HG22 THR A 23 -6.548 -7.492 13.302 1.00 0.00 H new ATOM 0 HG23 THR A 23 -8.118 -6.738 12.932 1.00 0.00 H new ATOM 376 N LEU A 24 -7.648 -7.146 9.842 1.00 0.00 N ATOM 377 CA LEU A 24 -8.142 -6.052 8.974 1.00 0.00 C ATOM 378 C LEU A 24 -8.206 -6.533 7.512 1.00 0.00 C ATOM 379 O LEU A 24 -7.474 -7.455 7.117 1.00 0.00 O ATOM 380 CB LEU A 24 -7.298 -4.743 9.157 1.00 0.00 C ATOM 381 CG LEU A 24 -5.749 -4.793 8.900 1.00 0.00 C ATOM 382 CD1 LEU A 24 -5.394 -4.770 7.397 1.00 0.00 C ATOM 383 CD2 LEU A 24 -5.016 -3.650 9.649 1.00 0.00 C ATOM 0 H LEU A 24 -6.634 -7.260 9.835 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.156 -5.788 9.275 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.717 -3.986 8.494 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -7.451 -4.393 10.178 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.404 -5.747 9.298 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.311 -4.806 7.278 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.842 -5.633 6.904 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.778 -3.855 6.946 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.946 -3.713 9.451 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.394 -2.688 9.303 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.193 -3.745 10.720 1.00 0.00 H new ATOM 395 N THR A 25 -9.102 -5.912 6.735 1.00 0.00 N ATOM 396 CA THR A 25 -9.377 -6.280 5.335 1.00 0.00 C ATOM 397 C THR A 25 -8.926 -5.168 4.368 1.00 0.00 C ATOM 398 O THR A 25 -8.343 -4.164 4.794 1.00 0.00 O ATOM 399 CB THR A 25 -10.913 -6.538 5.151 1.00 0.00 C ATOM 400 OG1 THR A 25 -11.639 -5.366 5.576 1.00 0.00 O ATOM 401 CG2 THR A 25 -11.397 -7.771 5.940 1.00 0.00 C ATOM 0 H THR A 25 -9.666 -5.128 7.063 1.00 0.00 H new ATOM 0 HA THR A 25 -8.816 -7.186 5.105 1.00 0.00 H new ATOM 0 HB THR A 25 -11.098 -6.740 4.096 1.00 0.00 H new ATOM 0 HG1 THR A 25 -12.601 -5.518 5.463 1.00 0.00 H new ATOM 0 HG21 THR A 25 -12.467 -7.908 5.781 1.00 0.00 H new ATOM 0 HG22 THR A 25 -10.862 -8.656 5.596 1.00 0.00 H new ATOM 0 HG23 THR A 25 -11.205 -7.622 7.002 1.00 0.00 H new ATOM 409 N ALA A 26 -9.208 -5.369 3.062 1.00 0.00 N ATOM 410 CA ALA A 26 -8.983 -4.359 2.008 1.00 0.00 C ATOM 411 C ALA A 26 -9.775 -3.078 2.307 1.00 0.00 C ATOM 412 O ALA A 26 -9.222 -1.980 2.331 1.00 0.00 O ATOM 413 CB ALA A 26 -9.382 -4.925 0.633 1.00 0.00 C ATOM 0 H ALA A 26 -9.600 -6.242 2.709 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.922 -4.110 1.991 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -9.211 -4.170 -0.135 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -8.781 -5.808 0.414 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -10.437 -5.199 0.644 1.00 0.00 H new ATOM 419 N SER A 27 -11.069 -3.259 2.588 1.00 0.00 N ATOM 420 CA SER A 27 -12.008 -2.153 2.830 1.00 0.00 C ATOM 421 C SER A 27 -11.752 -1.454 4.190 1.00 0.00 C ATOM 422 O SER A 27 -12.304 -0.375 4.445 1.00 0.00 O ATOM 423 CB SER A 27 -13.441 -2.697 2.759 1.00 0.00 C ATOM 424 OG SER A 27 -13.643 -3.435 1.562 1.00 0.00 O ATOM 0 H SER A 27 -11.500 -4.181 2.655 1.00 0.00 H new ATOM 0 HA SER A 27 -11.857 -1.396 2.060 1.00 0.00 H new ATOM 0 HB2 SER A 27 -13.636 -3.334 3.621 1.00 0.00 H new ATOM 0 HB3 SER A 27 -14.151 -1.871 2.806 1.00 0.00 H new ATOM 0 HG SER A 27 -14.562 -3.774 1.538 1.00 0.00 H new ATOM 430 N SER A 28 -10.924 -2.084 5.055 1.00 0.00 N ATOM 431 CA SER A 28 -10.513 -1.508 6.345 1.00 0.00 C ATOM 432 C SER A 28 -9.574 -0.316 6.117 1.00 0.00 C ATOM 433 O SER A 28 -8.692 -0.359 5.246 1.00 0.00 O ATOM 434 CB SER A 28 -9.810 -2.573 7.219 1.00 0.00 C ATOM 435 OG SER A 28 -9.482 -2.075 8.510 1.00 0.00 O ATOM 0 H SER A 28 -10.525 -3.005 4.873 1.00 0.00 H new ATOM 0 HA SER A 28 -11.406 -1.164 6.867 1.00 0.00 H new ATOM 0 HB2 SER A 28 -10.458 -3.443 7.321 1.00 0.00 H new ATOM 0 HB3 SER A 28 -8.902 -2.909 6.719 1.00 0.00 H new ATOM 0 HG SER A 28 -9.501 -2.809 9.159 1.00 0.00 H new ATOM 441 N VAL A 29 -9.758 0.718 6.942 1.00 0.00 N ATOM 442 CA VAL A 29 -9.032 1.989 6.851 1.00 0.00 C ATOM 443 C VAL A 29 -7.630 1.837 7.475 1.00 0.00 C ATOM 444 O VAL A 29 -7.417 0.982 8.338 1.00 0.00 O ATOM 445 CB VAL A 29 -9.856 3.129 7.572 1.00 0.00 C ATOM 446 CG1 VAL A 29 -9.150 4.503 7.519 1.00 0.00 C ATOM 447 CG2 VAL A 29 -11.286 3.220 6.982 1.00 0.00 C ATOM 0 H VAL A 29 -10.430 0.695 7.709 1.00 0.00 H new ATOM 0 HA VAL A 29 -8.910 2.266 5.804 1.00 0.00 H new ATOM 0 HB VAL A 29 -9.923 2.855 8.625 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -9.762 5.246 8.030 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -8.179 4.433 8.010 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -9.010 4.800 6.480 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -11.840 4.010 7.490 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -11.227 3.445 5.917 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -11.799 2.269 7.123 1.00 0.00 H new ATOM 457 N LEU A 30 -6.672 2.641 6.994 1.00 0.00 N ATOM 458 CA LEU A 30 -5.307 2.696 7.544 1.00 0.00 C ATOM 459 C LEU A 30 -5.052 4.078 8.174 1.00 0.00 C ATOM 460 O LEU A 30 -4.862 4.170 9.396 1.00 0.00 O ATOM 461 CB LEU A 30 -4.277 2.363 6.442 1.00 0.00 C ATOM 462 CG LEU A 30 -4.435 0.951 5.791 1.00 0.00 C ATOM 463 CD1 LEU A 30 -3.442 0.768 4.636 1.00 0.00 C ATOM 464 CD2 LEU A 30 -4.299 -0.190 6.840 1.00 0.00 C ATOM 0 H LEU A 30 -6.821 3.275 6.209 1.00 0.00 H new ATOM 0 HA LEU A 30 -5.197 1.949 8.330 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.350 3.117 5.659 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.276 2.440 6.867 1.00 0.00 H new ATOM 0 HG LEU A 30 -5.444 0.890 5.383 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.571 -0.222 4.199 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.625 1.527 3.875 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.424 0.869 5.012 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.415 -1.154 6.346 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.316 -0.138 7.308 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.070 -0.078 7.602 1.00 0.00 H new ATOM 476 N LEU A 31 -5.034 5.148 7.338 1.00 0.00 N ATOM 477 CA LEU A 31 -4.937 6.540 7.831 1.00 0.00 C ATOM 478 C LEU A 31 -6.130 6.880 8.734 1.00 0.00 C ATOM 479 O LEU A 31 -7.271 6.965 8.275 1.00 0.00 O ATOM 480 CB LEU A 31 -4.846 7.567 6.660 1.00 0.00 C ATOM 481 CG LEU A 31 -3.451 7.729 5.977 1.00 0.00 C ATOM 482 CD1 LEU A 31 -3.517 8.736 4.814 1.00 0.00 C ATOM 483 CD2 LEU A 31 -2.358 8.145 6.994 1.00 0.00 C ATOM 0 H LEU A 31 -5.085 5.070 6.322 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.017 6.611 8.411 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.567 7.277 5.896 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.156 8.542 7.037 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.176 6.754 5.574 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.532 8.829 4.357 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.231 8.385 4.069 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.835 9.708 5.192 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.402 8.247 6.480 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.629 9.097 7.450 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.273 7.383 7.769 1.00 0.00 H new ATOM 495 N GLY A 32 -5.831 7.060 10.021 1.00 0.00 N ATOM 496 CA GLY A 32 -6.816 7.418 11.034 1.00 0.00 C ATOM 497 C GLY A 32 -7.222 6.239 11.903 1.00 0.00 C ATOM 498 O GLY A 32 -7.578 6.428 13.067 1.00 0.00 O ATOM 0 H GLY A 32 -4.886 6.959 10.391 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -6.409 8.207 11.667 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -7.701 7.825 10.546 1.00 0.00 H new ATOM 502 N ASN A 33 -7.191 5.021 11.326 1.00 0.00 N ATOM 503 CA ASN A 33 -7.528 3.783 12.055 1.00 0.00 C ATOM 504 C ASN A 33 -6.337 3.336 12.911 1.00 0.00 C ATOM 505 O ASN A 33 -6.468 3.120 14.121 1.00 0.00 O ATOM 506 CB ASN A 33 -7.928 2.657 11.063 1.00 0.00 C ATOM 507 CG ASN A 33 -8.292 1.323 11.742 1.00 0.00 C ATOM 508 OD1 ASN A 33 -8.821 1.288 12.851 1.00 0.00 O ATOM 509 ND2 ASN A 33 -8.021 0.210 11.073 1.00 0.00 N ATOM 0 H ASN A 33 -6.934 4.869 10.351 1.00 0.00 H new ATOM 0 HA ASN A 33 -8.377 3.985 12.708 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -8.778 2.995 10.470 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -7.103 2.487 10.371 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -8.252 -0.697 11.478 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -7.582 0.262 10.154 1.00 0.00 H new ATOM 516 N ILE A 34 -5.175 3.202 12.260 1.00 0.00 N ATOM 517 CA ILE A 34 -3.942 2.745 12.911 1.00 0.00 C ATOM 518 C ILE A 34 -3.221 3.963 13.513 1.00 0.00 C ATOM 519 O ILE A 34 -2.855 4.875 12.762 1.00 0.00 O ATOM 520 CB ILE A 34 -2.980 2.010 11.900 1.00 0.00 C ATOM 521 CG1 ILE A 34 -3.756 0.943 11.051 1.00 0.00 C ATOM 522 CG2 ILE A 34 -1.780 1.371 12.642 1.00 0.00 C ATOM 523 CD1 ILE A 34 -4.453 -0.155 11.856 1.00 0.00 C ATOM 0 H ILE A 34 -5.064 3.407 11.267 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.209 2.030 13.689 1.00 0.00 H new ATOM 0 HB ILE A 34 -2.587 2.757 11.210 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.504 1.458 10.447 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.056 0.474 10.360 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.132 0.871 11.922 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -1.216 2.148 13.159 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.146 0.644 13.367 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.959 -0.840 11.175 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.713 -0.704 12.439 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.184 0.295 12.528 1.00 0.00 H new ATOM 535 N PRO A 35 -2.971 4.002 14.861 1.00 0.00 N ATOM 536 CA PRO A 35 -2.312 5.160 15.514 1.00 0.00 C ATOM 537 C PRO A 35 -0.819 5.264 15.147 1.00 0.00 C ATOM 538 O PRO A 35 -0.199 6.307 15.349 1.00 0.00 O ATOM 539 CB PRO A 35 -2.517 4.883 17.029 1.00 0.00 C ATOM 540 CG PRO A 35 -2.632 3.391 17.132 1.00 0.00 C ATOM 541 CD PRO A 35 -3.286 2.924 15.844 1.00 0.00 C ATOM 0 HA PRO A 35 -2.733 6.114 15.196 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -1.679 5.257 17.617 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -3.414 5.376 17.404 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -1.651 2.933 17.258 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -3.230 3.106 17.997 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -2.888 1.962 15.521 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -4.362 2.799 15.966 1.00 0.00 H new ATOM 549 N GLU A 36 -0.270 4.173 14.579 1.00 0.00 N ATOM 550 CA GLU A 36 1.160 4.050 14.267 1.00 0.00 C ATOM 551 C GLU A 36 1.500 4.650 12.896 1.00 0.00 C ATOM 552 O GLU A 36 2.662 4.950 12.627 1.00 0.00 O ATOM 553 CB GLU A 36 1.575 2.552 14.314 1.00 0.00 C ATOM 554 CG GLU A 36 1.153 1.806 15.598 1.00 0.00 C ATOM 555 CD GLU A 36 1.601 2.525 16.881 1.00 0.00 C ATOM 556 OE1 GLU A 36 2.804 2.494 17.198 1.00 0.00 O ATOM 557 OE2 GLU A 36 0.756 3.130 17.570 1.00 0.00 O ATOM 0 H GLU A 36 -0.813 3.349 14.323 1.00 0.00 H new ATOM 0 HA GLU A 36 1.718 4.612 15.016 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.141 2.042 13.454 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.658 2.486 14.211 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.069 1.696 15.609 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.575 0.801 15.584 1.00 0.00 H new ATOM 564 N LEU A 37 0.481 4.838 12.042 1.00 0.00 N ATOM 565 CA LEU A 37 0.683 5.317 10.668 1.00 0.00 C ATOM 566 C LEU A 37 0.794 6.865 10.649 1.00 0.00 C ATOM 567 O LEU A 37 -0.179 7.589 10.413 1.00 0.00 O ATOM 568 CB LEU A 37 -0.449 4.791 9.750 1.00 0.00 C ATOM 569 CG LEU A 37 -0.292 5.084 8.224 1.00 0.00 C ATOM 570 CD1 LEU A 37 0.986 4.433 7.639 1.00 0.00 C ATOM 571 CD2 LEU A 37 -1.553 4.640 7.454 1.00 0.00 C ATOM 0 H LEU A 37 -0.495 4.664 12.282 1.00 0.00 H new ATOM 0 HA LEU A 37 1.623 4.926 10.278 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.526 3.712 9.885 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.391 5.223 10.087 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.180 6.162 8.103 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.057 4.661 6.576 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.863 4.826 8.154 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.939 3.353 7.776 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.425 4.852 6.393 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.707 3.570 7.594 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -2.419 5.184 7.831 1.00 0.00 H new ATOM 583 N ASP A 38 1.994 7.340 10.993 1.00 0.00 N ATOM 584 CA ASP A 38 2.401 8.764 10.985 1.00 0.00 C ATOM 585 C ASP A 38 3.082 9.105 9.634 1.00 0.00 C ATOM 586 O ASP A 38 3.216 8.232 8.776 1.00 0.00 O ATOM 587 CB ASP A 38 3.368 8.966 12.210 1.00 0.00 C ATOM 588 CG ASP A 38 4.118 10.314 12.269 1.00 0.00 C ATOM 589 OD1 ASP A 38 3.508 11.334 12.646 1.00 0.00 O ATOM 590 OD2 ASP A 38 5.330 10.359 11.927 1.00 0.00 O ATOM 0 H ASP A 38 2.747 6.724 11.299 1.00 0.00 H new ATOM 0 HA ASP A 38 1.548 9.436 11.081 1.00 0.00 H new ATOM 0 HB2 ASP A 38 2.788 8.856 13.126 1.00 0.00 H new ATOM 0 HB3 ASP A 38 4.105 8.163 12.201 1.00 0.00 H new ATOM 595 N SER A 39 3.461 10.384 9.449 1.00 0.00 N ATOM 596 CA SER A 39 4.302 10.861 8.334 1.00 0.00 C ATOM 597 C SER A 39 5.525 9.946 8.050 1.00 0.00 C ATOM 598 O SER A 39 5.625 9.339 6.989 1.00 0.00 O ATOM 599 CB SER A 39 4.790 12.299 8.641 1.00 0.00 C ATOM 600 OG SER A 39 3.817 13.283 8.272 1.00 0.00 O ATOM 0 H SER A 39 3.185 11.132 10.085 1.00 0.00 H new ATOM 0 HA SER A 39 3.683 10.842 7.437 1.00 0.00 H new ATOM 0 HB2 SER A 39 5.011 12.388 9.705 1.00 0.00 H new ATOM 0 HB3 SER A 39 5.720 12.489 8.105 1.00 0.00 H new ATOM 0 HG SER A 39 4.160 14.177 8.482 1.00 0.00 H new ATOM 605 N MET A 40 6.448 9.838 9.003 1.00 0.00 N ATOM 606 CA MET A 40 7.686 9.059 8.789 1.00 0.00 C ATOM 607 C MET A 40 7.379 7.557 8.622 1.00 0.00 C ATOM 608 O MET A 40 8.105 6.828 7.942 1.00 0.00 O ATOM 609 CB MET A 40 8.671 9.309 9.933 1.00 0.00 C ATOM 610 CG MET A 40 9.166 10.759 10.020 1.00 0.00 C ATOM 611 SD MET A 40 10.143 11.242 8.582 1.00 0.00 S ATOM 612 CE MET A 40 10.645 12.900 9.045 1.00 0.00 C ATOM 0 H MET A 40 6.373 10.271 9.924 1.00 0.00 H new ATOM 0 HA MET A 40 8.151 9.394 7.862 1.00 0.00 H new ATOM 0 HB2 MET A 40 8.194 9.041 10.876 1.00 0.00 H new ATOM 0 HB3 MET A 40 9.530 8.649 9.811 1.00 0.00 H new ATOM 0 HG2 MET A 40 8.310 11.427 10.115 1.00 0.00 H new ATOM 0 HG3 MET A 40 9.767 10.881 10.921 1.00 0.00 H new ATOM 0 HE1 MET A 40 11.257 13.330 8.252 1.00 0.00 H new ATOM 0 HE2 MET A 40 9.761 13.519 9.196 1.00 0.00 H new ATOM 0 HE3 MET A 40 11.223 12.861 9.968 1.00 0.00 H new ATOM 622 N ALA A 41 6.260 7.135 9.223 1.00 0.00 N ATOM 623 CA ALA A 41 5.739 5.774 9.106 1.00 0.00 C ATOM 624 C ALA A 41 5.277 5.446 7.672 1.00 0.00 C ATOM 625 O ALA A 41 5.497 4.319 7.214 1.00 0.00 O ATOM 626 CB ALA A 41 4.605 5.580 10.103 1.00 0.00 C ATOM 0 H ALA A 41 5.686 7.739 9.811 1.00 0.00 H new ATOM 0 HA ALA A 41 6.548 5.080 9.335 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.215 4.566 10.018 1.00 0.00 H new ATOM 0 HB2 ALA A 41 4.978 5.741 11.114 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.809 6.294 9.892 1.00 0.00 H new ATOM 632 N VAL A 42 4.645 6.429 6.957 1.00 0.00 N ATOM 633 CA VAL A 42 4.237 6.219 5.546 1.00 0.00 C ATOM 634 C VAL A 42 5.487 6.084 4.662 1.00 0.00 C ATOM 635 O VAL A 42 5.491 5.299 3.726 1.00 0.00 O ATOM 636 CB VAL A 42 3.267 7.318 4.933 1.00 0.00 C ATOM 637 CG1 VAL A 42 2.003 7.527 5.792 1.00 0.00 C ATOM 638 CG2 VAL A 42 3.972 8.667 4.666 1.00 0.00 C ATOM 0 H VAL A 42 4.416 7.350 7.331 1.00 0.00 H new ATOM 0 HA VAL A 42 3.649 5.301 5.558 1.00 0.00 H new ATOM 0 HB VAL A 42 2.957 6.920 3.967 1.00 0.00 H new ATOM 0 HG11 VAL A 42 1.372 8.287 5.332 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.451 6.590 5.861 1.00 0.00 H new ATOM 0 HG13 VAL A 42 2.292 7.852 6.792 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.256 9.375 4.248 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.369 9.062 5.601 1.00 0.00 H new ATOM 0 HG23 VAL A 42 4.789 8.517 3.960 1.00 0.00 H new ATOM 648 N VAL A 43 6.558 6.834 5.005 1.00 0.00 N ATOM 649 CA VAL A 43 7.843 6.782 4.260 1.00 0.00 C ATOM 650 C VAL A 43 8.448 5.371 4.344 1.00 0.00 C ATOM 651 O VAL A 43 8.828 4.767 3.336 1.00 0.00 O ATOM 652 CB VAL A 43 8.874 7.817 4.832 1.00 0.00 C ATOM 653 CG1 VAL A 43 10.170 7.903 3.991 1.00 0.00 C ATOM 654 CG2 VAL A 43 8.216 9.192 4.988 1.00 0.00 C ATOM 0 H VAL A 43 6.561 7.483 5.792 1.00 0.00 H new ATOM 0 HA VAL A 43 7.633 7.034 3.221 1.00 0.00 H new ATOM 0 HB VAL A 43 9.178 7.459 5.816 1.00 0.00 H new ATOM 0 HG11 VAL A 43 10.844 8.635 4.436 1.00 0.00 H new ATOM 0 HG12 VAL A 43 10.656 6.927 3.970 1.00 0.00 H new ATOM 0 HG13 VAL A 43 9.924 8.207 2.974 1.00 0.00 H new ATOM 0 HG21 VAL A 43 8.943 9.900 5.386 1.00 0.00 H new ATOM 0 HG22 VAL A 43 7.865 9.540 4.016 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.372 9.116 5.673 1.00 0.00 H new ATOM 664 N ASN A 44 8.480 4.876 5.580 1.00 0.00 N ATOM 665 CA ASN A 44 9.028 3.563 5.941 1.00 0.00 C ATOM 666 C ASN A 44 8.309 2.406 5.220 1.00 0.00 C ATOM 667 O ASN A 44 8.967 1.504 4.677 1.00 0.00 O ATOM 668 CB ASN A 44 8.940 3.399 7.479 1.00 0.00 C ATOM 669 CG ASN A 44 9.955 4.254 8.244 1.00 0.00 C ATOM 670 OD1 ASN A 44 11.073 4.479 7.786 1.00 0.00 O ATOM 671 ND2 ASN A 44 9.569 4.746 9.409 1.00 0.00 N ATOM 0 H ASN A 44 8.116 5.389 6.383 1.00 0.00 H new ATOM 0 HA ASN A 44 10.068 3.519 5.617 1.00 0.00 H new ATOM 0 HB2 ASN A 44 7.935 3.662 7.807 1.00 0.00 H new ATOM 0 HB3 ASN A 44 9.095 2.351 7.734 1.00 0.00 H new ATOM 0 HD21 ASN A 44 10.205 5.329 9.952 1.00 0.00 H new ATOM 0 HD22 ASN A 44 8.635 4.542 9.764 1.00 0.00 H new ATOM 678 N VAL A 45 6.964 2.437 5.210 1.00 0.00 N ATOM 679 CA VAL A 45 6.161 1.369 4.586 1.00 0.00 C ATOM 680 C VAL A 45 6.206 1.433 3.045 1.00 0.00 C ATOM 681 O VAL A 45 6.123 0.393 2.406 1.00 0.00 O ATOM 682 CB VAL A 45 4.674 1.343 5.094 1.00 0.00 C ATOM 683 CG1 VAL A 45 4.603 1.006 6.604 1.00 0.00 C ATOM 684 CG2 VAL A 45 3.955 2.666 4.790 1.00 0.00 C ATOM 0 H VAL A 45 6.412 3.187 5.625 1.00 0.00 H new ATOM 0 HA VAL A 45 6.626 0.435 4.901 1.00 0.00 H new ATOM 0 HB VAL A 45 4.156 0.552 4.551 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.562 0.995 6.926 1.00 0.00 H new ATOM 0 HG12 VAL A 45 5.047 0.026 6.779 1.00 0.00 H new ATOM 0 HG13 VAL A 45 5.150 1.759 7.171 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.929 2.615 5.154 1.00 0.00 H new ATOM 0 HG22 VAL A 45 4.475 3.485 5.286 1.00 0.00 H new ATOM 0 HG23 VAL A 45 3.950 2.838 3.714 1.00 0.00 H new ATOM 694 N ILE A 46 6.350 2.649 2.450 1.00 0.00 N ATOM 695 CA ILE A 46 6.522 2.797 0.973 1.00 0.00 C ATOM 696 C ILE A 46 7.829 2.121 0.548 1.00 0.00 C ATOM 697 O ILE A 46 7.842 1.308 -0.377 1.00 0.00 O ATOM 698 CB ILE A 46 6.535 4.304 0.492 1.00 0.00 C ATOM 699 CG1 ILE A 46 5.151 4.970 0.723 1.00 0.00 C ATOM 700 CG2 ILE A 46 6.954 4.443 -1.002 1.00 0.00 C ATOM 701 CD1 ILE A 46 5.112 6.472 0.488 1.00 0.00 C ATOM 0 H ILE A 46 6.351 3.532 2.961 1.00 0.00 H new ATOM 0 HA ILE A 46 5.661 2.321 0.504 1.00 0.00 H new ATOM 0 HB ILE A 46 7.284 4.820 1.093 1.00 0.00 H new ATOM 0 HG12 ILE A 46 4.422 4.496 0.065 1.00 0.00 H new ATOM 0 HG13 ILE A 46 4.835 4.769 1.747 1.00 0.00 H new ATOM 0 HG21 ILE A 46 6.948 5.496 -1.285 1.00 0.00 H new ATOM 0 HG22 ILE A 46 7.956 4.036 -1.138 1.00 0.00 H new ATOM 0 HG23 ILE A 46 6.252 3.894 -1.629 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.104 6.843 0.675 1.00 0.00 H new ATOM 0 HD12 ILE A 46 5.811 6.964 1.164 1.00 0.00 H new ATOM 0 HD13 ILE A 46 5.392 6.686 -0.543 1.00 0.00 H new ATOM 713 N THR A 47 8.905 2.451 1.286 1.00 0.00 N ATOM 714 CA THR A 47 10.243 1.897 1.064 1.00 0.00 C ATOM 715 C THR A 47 10.197 0.362 1.123 1.00 0.00 C ATOM 716 O THR A 47 10.695 -0.313 0.224 1.00 0.00 O ATOM 717 CB THR A 47 11.253 2.447 2.120 1.00 0.00 C ATOM 718 OG1 THR A 47 11.241 3.883 2.078 1.00 0.00 O ATOM 719 CG2 THR A 47 12.694 1.941 1.887 1.00 0.00 C ATOM 0 H THR A 47 8.864 3.116 2.058 1.00 0.00 H new ATOM 0 HA THR A 47 10.582 2.204 0.074 1.00 0.00 H new ATOM 0 HB THR A 47 10.936 2.082 3.097 1.00 0.00 H new ATOM 0 HG1 THR A 47 10.446 4.217 2.544 1.00 0.00 H new ATOM 0 HG21 THR A 47 13.353 2.355 2.650 1.00 0.00 H new ATOM 0 HG22 THR A 47 12.711 0.853 1.944 1.00 0.00 H new ATOM 0 HG23 THR A 47 13.036 2.258 0.902 1.00 0.00 H new ATOM 727 N ALA A 48 9.521 -0.155 2.166 1.00 0.00 N ATOM 728 CA ALA A 48 9.352 -1.596 2.386 1.00 0.00 C ATOM 729 C ALA A 48 8.532 -2.262 1.249 1.00 0.00 C ATOM 730 O ALA A 48 8.890 -3.340 0.801 1.00 0.00 O ATOM 731 CB ALA A 48 8.722 -1.840 3.761 1.00 0.00 C ATOM 0 H ALA A 48 9.076 0.421 2.881 1.00 0.00 H new ATOM 0 HA ALA A 48 10.336 -2.066 2.368 1.00 0.00 H new ATOM 0 HB1 ALA A 48 8.599 -2.911 3.920 1.00 0.00 H new ATOM 0 HB2 ALA A 48 9.370 -1.431 4.536 1.00 0.00 H new ATOM 0 HB3 ALA A 48 7.749 -1.352 3.807 1.00 0.00 H new ATOM 737 N LEU A 49 7.457 -1.591 0.765 1.00 0.00 N ATOM 738 CA LEU A 49 6.648 -2.074 -0.397 1.00 0.00 C ATOM 739 C LEU A 49 7.565 -2.283 -1.625 1.00 0.00 C ATOM 740 O LEU A 49 7.571 -3.354 -2.249 1.00 0.00 O ATOM 741 CB LEU A 49 5.472 -1.073 -0.737 1.00 0.00 C ATOM 742 CG LEU A 49 4.028 -1.453 -0.246 1.00 0.00 C ATOM 743 CD1 LEU A 49 3.590 -2.820 -0.800 1.00 0.00 C ATOM 744 CD2 LEU A 49 3.898 -1.409 1.290 1.00 0.00 C ATOM 0 H LEU A 49 7.125 -0.711 1.159 1.00 0.00 H new ATOM 0 HA LEU A 49 6.195 -3.028 -0.127 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.726 -0.101 -0.314 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.437 -0.951 -1.820 1.00 0.00 H new ATOM 0 HG LEU A 49 3.353 -0.694 -0.643 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.587 -3.053 -0.442 1.00 0.00 H new ATOM 0 HD12 LEU A 49 3.588 -2.787 -1.890 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.284 -3.589 -0.462 1.00 0.00 H new ATOM 0 HD21 LEU A 49 2.882 -1.679 1.577 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.600 -2.114 1.735 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.120 -0.403 1.645 1.00 0.00 H new ATOM 756 N GLU A 50 8.365 -1.245 -1.907 1.00 0.00 N ATOM 757 CA GLU A 50 9.292 -1.201 -3.046 1.00 0.00 C ATOM 758 C GLU A 50 10.393 -2.277 -2.945 1.00 0.00 C ATOM 759 O GLU A 50 10.766 -2.870 -3.958 1.00 0.00 O ATOM 760 CB GLU A 50 9.918 0.210 -3.135 1.00 0.00 C ATOM 761 CG GLU A 50 8.888 1.335 -3.356 1.00 0.00 C ATOM 762 CD GLU A 50 9.495 2.746 -3.321 1.00 0.00 C ATOM 763 OE1 GLU A 50 10.097 3.116 -2.292 1.00 0.00 O ATOM 764 OE2 GLU A 50 9.378 3.495 -4.315 1.00 0.00 O ATOM 0 H GLU A 50 8.386 -0.398 -1.340 1.00 0.00 H new ATOM 0 HA GLU A 50 8.727 -1.416 -3.953 1.00 0.00 H new ATOM 0 HB2 GLU A 50 10.470 0.411 -2.217 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.640 0.226 -3.951 1.00 0.00 H new ATOM 0 HG2 GLU A 50 8.399 1.184 -4.318 1.00 0.00 H new ATOM 0 HG3 GLU A 50 8.115 1.263 -2.591 1.00 0.00 H new ATOM 771 N GLU A 51 10.897 -2.515 -1.717 1.00 0.00 N ATOM 772 CA GLU A 51 11.952 -3.516 -1.450 1.00 0.00 C ATOM 773 C GLU A 51 11.435 -4.946 -1.700 1.00 0.00 C ATOM 774 O GLU A 51 12.034 -5.698 -2.472 1.00 0.00 O ATOM 775 CB GLU A 51 12.473 -3.380 0.012 1.00 0.00 C ATOM 776 CG GLU A 51 13.285 -2.099 0.300 1.00 0.00 C ATOM 777 CD GLU A 51 14.643 -2.065 -0.420 1.00 0.00 C ATOM 778 OE1 GLU A 51 15.586 -2.727 0.046 1.00 0.00 O ATOM 779 OE2 GLU A 51 14.785 -1.379 -1.446 1.00 0.00 O ATOM 0 H GLU A 51 10.585 -2.019 -0.882 1.00 0.00 H new ATOM 0 HA GLU A 51 12.777 -3.327 -2.137 1.00 0.00 H new ATOM 0 HB2 GLU A 51 11.620 -3.411 0.690 1.00 0.00 H new ATOM 0 HB3 GLU A 51 13.095 -4.245 0.242 1.00 0.00 H new ATOM 0 HG2 GLU A 51 12.700 -1.231 -0.002 1.00 0.00 H new ATOM 0 HG3 GLU A 51 13.449 -2.015 1.374 1.00 0.00 H new ATOM 786 N TYR A 52 10.313 -5.292 -1.032 1.00 0.00 N ATOM 787 CA TYR A 52 9.693 -6.634 -1.104 1.00 0.00 C ATOM 788 C TYR A 52 9.339 -7.010 -2.554 1.00 0.00 C ATOM 789 O TYR A 52 9.803 -8.032 -3.078 1.00 0.00 O ATOM 790 CB TYR A 52 8.408 -6.707 -0.220 1.00 0.00 C ATOM 791 CG TYR A 52 8.628 -6.812 1.308 1.00 0.00 C ATOM 792 CD1 TYR A 52 9.466 -5.935 2.003 1.00 0.00 C ATOM 793 CD2 TYR A 52 7.965 -7.782 2.060 1.00 0.00 C ATOM 794 CE1 TYR A 52 9.630 -6.026 3.371 1.00 0.00 C ATOM 795 CE2 TYR A 52 8.124 -7.872 3.427 1.00 0.00 C ATOM 796 CZ TYR A 52 8.953 -6.991 4.076 1.00 0.00 C ATOM 797 OH TYR A 52 9.100 -7.070 5.440 1.00 0.00 O ATOM 0 H TYR A 52 9.809 -4.645 -0.425 1.00 0.00 H new ATOM 0 HA TYR A 52 10.426 -7.346 -0.726 1.00 0.00 H new ATOM 0 HB2 TYR A 52 7.806 -5.820 -0.418 1.00 0.00 H new ATOM 0 HB3 TYR A 52 7.822 -7.568 -0.541 1.00 0.00 H new ATOM 0 HD1 TYR A 52 9.997 -5.169 1.458 1.00 0.00 H new ATOM 0 HD2 TYR A 52 7.311 -8.480 1.559 1.00 0.00 H new ATOM 0 HE1 TYR A 52 10.288 -5.341 3.885 1.00 0.00 H new ATOM 0 HE2 TYR A 52 7.598 -8.633 3.985 1.00 0.00 H new ATOM 0 HH TYR A 52 8.553 -7.806 5.786 1.00 0.00 H new ATOM 807 N PHE A 53 8.518 -6.167 -3.190 1.00 0.00 N ATOM 808 CA PHE A 53 7.951 -6.446 -4.522 1.00 0.00 C ATOM 809 C PHE A 53 8.931 -6.090 -5.659 1.00 0.00 C ATOM 810 O PHE A 53 8.707 -6.500 -6.802 1.00 0.00 O ATOM 811 CB PHE A 53 6.622 -5.679 -4.705 1.00 0.00 C ATOM 812 CG PHE A 53 5.460 -6.115 -3.802 1.00 0.00 C ATOM 813 CD1 PHE A 53 5.463 -5.838 -2.434 1.00 0.00 C ATOM 814 CD2 PHE A 53 4.354 -6.780 -4.330 1.00 0.00 C ATOM 815 CE1 PHE A 53 4.399 -6.206 -1.632 1.00 0.00 C ATOM 816 CE2 PHE A 53 3.294 -7.147 -3.524 1.00 0.00 C ATOM 817 CZ PHE A 53 3.317 -6.863 -2.179 1.00 0.00 C ATOM 0 H PHE A 53 8.226 -5.271 -2.799 1.00 0.00 H new ATOM 0 HA PHE A 53 7.764 -7.518 -4.578 1.00 0.00 H new ATOM 0 HB2 PHE A 53 6.811 -4.619 -4.533 1.00 0.00 H new ATOM 0 HB3 PHE A 53 6.307 -5.782 -5.743 1.00 0.00 H new ATOM 0 HD1 PHE A 53 6.309 -5.329 -1.996 1.00 0.00 H new ATOM 0 HD2 PHE A 53 4.326 -7.011 -5.385 1.00 0.00 H new ATOM 0 HE1 PHE A 53 4.415 -5.979 -0.576 1.00 0.00 H new ATOM 0 HE2 PHE A 53 2.444 -7.659 -3.952 1.00 0.00 H new ATOM 0 HZ PHE A 53 2.488 -7.154 -1.551 1.00 0.00 H new ATOM 827 N ASP A 54 9.992 -5.311 -5.341 1.00 0.00 N ATOM 828 CA ASP A 54 11.038 -4.900 -6.313 1.00 0.00 C ATOM 829 C ASP A 54 10.453 -4.011 -7.427 1.00 0.00 C ATOM 830 O ASP A 54 10.498 -4.347 -8.620 1.00 0.00 O ATOM 831 CB ASP A 54 11.832 -6.114 -6.885 1.00 0.00 C ATOM 832 CG ASP A 54 12.765 -6.761 -5.850 1.00 0.00 C ATOM 833 OD1 ASP A 54 13.851 -6.193 -5.591 1.00 0.00 O ATOM 834 OD2 ASP A 54 12.423 -7.827 -5.288 1.00 0.00 O ATOM 0 H ASP A 54 10.149 -4.948 -4.401 1.00 0.00 H new ATOM 0 HA ASP A 54 11.762 -4.298 -5.764 1.00 0.00 H new ATOM 0 HB2 ASP A 54 11.128 -6.862 -7.250 1.00 0.00 H new ATOM 0 HB3 ASP A 54 12.421 -5.785 -7.742 1.00 0.00 H new ATOM 839 N PHE A 55 9.869 -2.886 -7.000 1.00 0.00 N ATOM 840 CA PHE A 55 9.365 -1.832 -7.900 1.00 0.00 C ATOM 841 C PHE A 55 9.627 -0.456 -7.268 1.00 0.00 C ATOM 842 O PHE A 55 10.240 -0.369 -6.203 1.00 0.00 O ATOM 843 CB PHE A 55 7.851 -2.032 -8.185 1.00 0.00 C ATOM 844 CG PHE A 55 6.909 -1.688 -7.025 1.00 0.00 C ATOM 845 CD1 PHE A 55 6.876 -2.462 -5.875 1.00 0.00 C ATOM 846 CD2 PHE A 55 6.056 -0.592 -7.094 1.00 0.00 C ATOM 847 CE1 PHE A 55 6.023 -2.154 -4.834 1.00 0.00 C ATOM 848 CE2 PHE A 55 5.207 -0.288 -6.056 1.00 0.00 C ATOM 849 CZ PHE A 55 5.190 -1.069 -4.925 1.00 0.00 C ATOM 0 H PHE A 55 9.730 -2.676 -6.012 1.00 0.00 H new ATOM 0 HA PHE A 55 9.891 -1.891 -8.853 1.00 0.00 H new ATOM 0 HB2 PHE A 55 7.577 -1.421 -9.045 1.00 0.00 H new ATOM 0 HB3 PHE A 55 7.687 -3.072 -8.467 1.00 0.00 H new ATOM 0 HD1 PHE A 55 7.528 -3.319 -5.792 1.00 0.00 H new ATOM 0 HD2 PHE A 55 6.060 0.030 -7.977 1.00 0.00 H new ATOM 0 HE1 PHE A 55 6.012 -2.769 -3.946 1.00 0.00 H new ATOM 0 HE2 PHE A 55 4.551 0.567 -6.130 1.00 0.00 H new ATOM 0 HZ PHE A 55 4.523 -0.829 -4.111 1.00 0.00 H new ATOM 859 N SER A 56 9.187 0.617 -7.935 1.00 0.00 N ATOM 860 CA SER A 56 9.255 1.978 -7.389 1.00 0.00 C ATOM 861 C SER A 56 7.889 2.684 -7.537 1.00 0.00 C ATOM 862 O SER A 56 7.369 2.804 -8.658 1.00 0.00 O ATOM 863 CB SER A 56 10.375 2.754 -8.116 1.00 0.00 C ATOM 864 OG SER A 56 11.631 2.099 -7.971 1.00 0.00 O ATOM 0 H SER A 56 8.775 0.567 -8.867 1.00 0.00 H new ATOM 0 HA SER A 56 9.488 1.941 -6.325 1.00 0.00 H new ATOM 0 HB2 SER A 56 10.130 2.846 -9.174 1.00 0.00 H new ATOM 0 HB3 SER A 56 10.440 3.765 -7.715 1.00 0.00 H new ATOM 0 HG SER A 56 12.322 2.610 -8.442 1.00 0.00 H new ATOM 870 N VAL A 57 7.301 3.118 -6.394 1.00 0.00 N ATOM 871 CA VAL A 57 6.058 3.924 -6.381 1.00 0.00 C ATOM 872 C VAL A 57 6.433 5.373 -6.745 1.00 0.00 C ATOM 873 O VAL A 57 7.331 5.942 -6.119 1.00 0.00 O ATOM 874 CB VAL A 57 5.316 3.930 -4.969 1.00 0.00 C ATOM 875 CG1 VAL A 57 3.812 4.263 -5.130 1.00 0.00 C ATOM 876 CG2 VAL A 57 5.505 2.612 -4.189 1.00 0.00 C ATOM 0 H VAL A 57 7.672 2.921 -5.465 1.00 0.00 H new ATOM 0 HA VAL A 57 5.368 3.476 -7.096 1.00 0.00 H new ATOM 0 HB VAL A 57 5.785 4.716 -4.377 1.00 0.00 H new ATOM 0 HG11 VAL A 57 3.332 4.260 -4.151 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.704 5.248 -5.584 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.340 3.516 -5.768 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.978 2.674 -3.237 1.00 0.00 H new ATOM 0 HG22 VAL A 57 5.104 1.783 -4.772 1.00 0.00 H new ATOM 0 HG23 VAL A 57 6.567 2.446 -4.006 1.00 0.00 H new ATOM 886 N ASP A 58 5.764 5.961 -7.741 1.00 0.00 N ATOM 887 CA ASP A 58 6.080 7.321 -8.224 1.00 0.00 C ATOM 888 C ASP A 58 5.262 8.385 -7.440 1.00 0.00 C ATOM 889 O ASP A 58 4.194 8.086 -6.923 1.00 0.00 O ATOM 890 CB ASP A 58 5.814 7.379 -9.747 1.00 0.00 C ATOM 891 CG ASP A 58 6.092 8.755 -10.361 1.00 0.00 C ATOM 892 OD1 ASP A 58 7.270 9.095 -10.574 1.00 0.00 O ATOM 893 OD2 ASP A 58 5.135 9.511 -10.595 1.00 0.00 O ATOM 0 H ASP A 58 4.992 5.516 -8.237 1.00 0.00 H new ATOM 0 HA ASP A 58 7.131 7.550 -8.048 1.00 0.00 H new ATOM 0 HB2 ASP A 58 6.435 6.635 -10.245 1.00 0.00 H new ATOM 0 HB3 ASP A 58 4.776 7.107 -9.938 1.00 0.00 H new ATOM 898 N ASP A 59 5.793 9.621 -7.356 1.00 0.00 N ATOM 899 CA ASP A 59 5.185 10.737 -6.586 1.00 0.00 C ATOM 900 C ASP A 59 3.743 11.086 -7.048 1.00 0.00 C ATOM 901 O ASP A 59 2.891 11.443 -6.221 1.00 0.00 O ATOM 902 CB ASP A 59 6.101 11.988 -6.684 1.00 0.00 C ATOM 903 CG ASP A 59 5.507 13.242 -6.008 1.00 0.00 C ATOM 904 OD1 ASP A 59 5.570 13.346 -4.771 1.00 0.00 O ATOM 905 OD2 ASP A 59 4.955 14.119 -6.715 1.00 0.00 O ATOM 0 H ASP A 59 6.662 9.880 -7.822 1.00 0.00 H new ATOM 0 HA ASP A 59 5.102 10.408 -5.550 1.00 0.00 H new ATOM 0 HB2 ASP A 59 7.064 11.760 -6.226 1.00 0.00 H new ATOM 0 HB3 ASP A 59 6.291 12.207 -7.735 1.00 0.00 H new ATOM 910 N ASP A 60 3.484 10.948 -8.363 1.00 0.00 N ATOM 911 CA ASP A 60 2.190 11.323 -8.997 1.00 0.00 C ATOM 912 C ASP A 60 1.003 10.542 -8.401 1.00 0.00 C ATOM 913 O ASP A 60 -0.107 11.076 -8.266 1.00 0.00 O ATOM 914 CB ASP A 60 2.270 11.077 -10.530 1.00 0.00 C ATOM 915 CG ASP A 60 0.985 11.459 -11.287 1.00 0.00 C ATOM 916 OD1 ASP A 60 0.800 12.655 -11.589 1.00 0.00 O ATOM 917 OD2 ASP A 60 0.147 10.571 -11.573 1.00 0.00 O ATOM 0 H ASP A 60 4.164 10.573 -9.024 1.00 0.00 H new ATOM 0 HA ASP A 60 2.017 12.380 -8.797 1.00 0.00 H new ATOM 0 HB2 ASP A 60 3.104 11.648 -10.937 1.00 0.00 H new ATOM 0 HB3 ASP A 60 2.487 10.024 -10.709 1.00 0.00 H new ATOM 922 N GLU A 61 1.268 9.291 -8.018 1.00 0.00 N ATOM 923 CA GLU A 61 0.240 8.356 -7.531 1.00 0.00 C ATOM 924 C GLU A 61 0.216 8.322 -5.989 1.00 0.00 C ATOM 925 O GLU A 61 -0.742 7.826 -5.399 1.00 0.00 O ATOM 926 CB GLU A 61 0.504 6.945 -8.115 1.00 0.00 C ATOM 927 CG GLU A 61 1.811 6.299 -7.627 1.00 0.00 C ATOM 928 CD GLU A 61 2.183 5.024 -8.373 1.00 0.00 C ATOM 929 OE1 GLU A 61 1.583 3.970 -8.096 1.00 0.00 O ATOM 930 OE2 GLU A 61 3.076 5.081 -9.255 1.00 0.00 O ATOM 0 H GLU A 61 2.206 8.892 -8.036 1.00 0.00 H new ATOM 0 HA GLU A 61 -0.739 8.698 -7.866 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -0.330 6.294 -7.854 1.00 0.00 H new ATOM 0 HB3 GLU A 61 0.528 7.012 -9.203 1.00 0.00 H new ATOM 0 HG2 GLU A 61 2.622 7.019 -7.731 1.00 0.00 H new ATOM 0 HG3 GLU A 61 1.719 6.073 -6.565 1.00 0.00 H new ATOM 937 N ILE A 62 1.286 8.842 -5.348 1.00 0.00 N ATOM 938 CA ILE A 62 1.404 8.880 -3.879 1.00 0.00 C ATOM 939 C ILE A 62 0.675 10.111 -3.295 1.00 0.00 C ATOM 940 O ILE A 62 1.022 11.253 -3.614 1.00 0.00 O ATOM 941 CB ILE A 62 2.913 8.901 -3.407 1.00 0.00 C ATOM 942 CG1 ILE A 62 3.667 7.594 -3.801 1.00 0.00 C ATOM 943 CG2 ILE A 62 3.017 9.127 -1.890 1.00 0.00 C ATOM 944 CD1 ILE A 62 5.096 7.512 -3.264 1.00 0.00 C ATOM 0 H ILE A 62 2.087 9.245 -5.834 1.00 0.00 H new ATOM 0 HA ILE A 62 0.936 7.969 -3.507 1.00 0.00 H new ATOM 0 HB ILE A 62 3.390 9.734 -3.923 1.00 0.00 H new ATOM 0 HG12 ILE A 62 3.103 6.737 -3.434 1.00 0.00 H new ATOM 0 HG13 ILE A 62 3.694 7.516 -4.888 1.00 0.00 H new ATOM 0 HG21 ILE A 62 4.066 9.137 -1.595 1.00 0.00 H new ATOM 0 HG22 ILE A 62 2.559 10.082 -1.632 1.00 0.00 H new ATOM 0 HG23 ILE A 62 2.500 8.323 -1.366 1.00 0.00 H new ATOM 0 HD11 ILE A 62 5.551 6.574 -3.582 1.00 0.00 H new ATOM 0 HD12 ILE A 62 5.679 8.348 -3.652 1.00 0.00 H new ATOM 0 HD13 ILE A 62 5.079 7.556 -2.175 1.00 0.00 H new ATOM 956 N SER A 63 -0.321 9.855 -2.438 1.00 0.00 N ATOM 957 CA SER A 63 -0.993 10.882 -1.624 1.00 0.00 C ATOM 958 C SER A 63 -1.600 10.224 -0.370 1.00 0.00 C ATOM 959 O SER A 63 -1.356 9.038 -0.100 1.00 0.00 O ATOM 960 CB SER A 63 -2.088 11.577 -2.468 1.00 0.00 C ATOM 961 OG SER A 63 -3.067 10.648 -2.896 1.00 0.00 O ATOM 0 H SER A 63 -0.690 8.916 -2.287 1.00 0.00 H new ATOM 0 HA SER A 63 -0.273 11.636 -1.307 1.00 0.00 H new ATOM 0 HB2 SER A 63 -2.561 12.363 -1.880 1.00 0.00 H new ATOM 0 HB3 SER A 63 -1.634 12.057 -3.335 1.00 0.00 H new ATOM 0 HG SER A 63 -3.749 11.112 -3.426 1.00 0.00 H new ATOM 967 N ALA A 64 -2.389 10.999 0.391 1.00 0.00 N ATOM 968 CA ALA A 64 -3.177 10.469 1.522 1.00 0.00 C ATOM 969 C ALA A 64 -4.275 9.515 1.011 1.00 0.00 C ATOM 970 O ALA A 64 -4.644 8.545 1.687 1.00 0.00 O ATOM 971 CB ALA A 64 -3.780 11.616 2.343 1.00 0.00 C ATOM 0 H ALA A 64 -2.500 12.002 0.244 1.00 0.00 H new ATOM 0 HA ALA A 64 -2.513 9.902 2.175 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -4.357 11.206 3.172 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -2.979 12.244 2.734 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -4.433 12.214 1.707 1.00 0.00 H new ATOM 977 N GLN A 65 -4.744 9.789 -0.226 1.00 0.00 N ATOM 978 CA GLN A 65 -5.760 8.967 -0.921 1.00 0.00 C ATOM 979 C GLN A 65 -5.212 7.574 -1.297 1.00 0.00 C ATOM 980 O GLN A 65 -5.979 6.684 -1.672 1.00 0.00 O ATOM 981 CB GLN A 65 -6.265 9.703 -2.193 1.00 0.00 C ATOM 982 CG GLN A 65 -6.838 11.113 -1.948 1.00 0.00 C ATOM 983 CD GLN A 65 -7.951 11.143 -0.901 1.00 0.00 C ATOM 984 OE1 GLN A 65 -9.125 10.958 -1.214 1.00 0.00 O ATOM 985 NE2 GLN A 65 -7.585 11.390 0.348 1.00 0.00 N ATOM 0 H GLN A 65 -4.427 10.590 -0.773 1.00 0.00 H new ATOM 0 HA GLN A 65 -6.592 8.820 -0.233 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.440 9.781 -2.901 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -7.034 9.092 -2.666 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -6.032 11.774 -1.630 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -7.223 11.509 -2.888 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -6.601 11.539 0.571 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -8.287 11.432 1.087 1.00 0.00 H new ATOM 994 N THR A 66 -3.883 7.409 -1.212 1.00 0.00 N ATOM 995 CA THR A 66 -3.212 6.122 -1.416 1.00 0.00 C ATOM 996 C THR A 66 -3.332 5.256 -0.149 1.00 0.00 C ATOM 997 O THR A 66 -3.596 4.061 -0.235 1.00 0.00 O ATOM 998 CB THR A 66 -1.707 6.355 -1.779 1.00 0.00 C ATOM 999 OG1 THR A 66 -1.637 7.245 -2.898 1.00 0.00 O ATOM 1000 CG2 THR A 66 -0.945 5.054 -2.110 1.00 0.00 C ATOM 0 H THR A 66 -3.242 8.173 -0.998 1.00 0.00 H new ATOM 0 HA THR A 66 -3.693 5.597 -2.241 1.00 0.00 H new ATOM 0 HB THR A 66 -1.225 6.781 -0.899 1.00 0.00 H new ATOM 0 HG1 THR A 66 -1.087 6.843 -3.602 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.091 5.291 -2.352 1.00 0.00 H new ATOM 0 HG22 THR A 66 -0.973 4.387 -1.249 1.00 0.00 H new ATOM 0 HG23 THR A 66 -1.414 4.565 -2.963 1.00 0.00 H new ATOM 1008 N PHE A 67 -3.163 5.893 1.030 1.00 0.00 N ATOM 1009 CA PHE A 67 -3.122 5.196 2.342 1.00 0.00 C ATOM 1010 C PHE A 67 -4.455 5.258 3.099 1.00 0.00 C ATOM 1011 O PHE A 67 -4.494 4.961 4.303 1.00 0.00 O ATOM 1012 CB PHE A 67 -1.975 5.781 3.208 1.00 0.00 C ATOM 1013 CG PHE A 67 -0.592 5.379 2.731 1.00 0.00 C ATOM 1014 CD1 PHE A 67 0.083 6.121 1.761 1.00 0.00 C ATOM 1015 CD2 PHE A 67 0.017 4.231 3.232 1.00 0.00 C ATOM 1016 CE1 PHE A 67 1.329 5.731 1.323 1.00 0.00 C ATOM 1017 CE2 PHE A 67 1.256 3.843 2.787 1.00 0.00 C ATOM 1018 CZ PHE A 67 1.909 4.587 1.833 1.00 0.00 C ATOM 0 H PHE A 67 -3.051 6.904 1.103 1.00 0.00 H new ATOM 0 HA PHE A 67 -2.935 4.141 2.141 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -2.049 6.868 3.208 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -2.105 5.452 4.239 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -0.375 7.008 1.350 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -0.491 3.639 3.979 1.00 0.00 H new ATOM 0 HE1 PHE A 67 1.851 6.319 0.582 1.00 0.00 H new ATOM 0 HE2 PHE A 67 1.718 2.953 3.187 1.00 0.00 H new ATOM 0 HZ PHE A 67 2.881 4.275 1.481 1.00 0.00 H new ATOM 1028 N GLU A 68 -5.545 5.619 2.396 1.00 0.00 N ATOM 1029 CA GLU A 68 -6.892 5.658 2.997 1.00 0.00 C ATOM 1030 C GLU A 68 -7.312 4.257 3.502 1.00 0.00 C ATOM 1031 O GLU A 68 -7.742 4.119 4.646 1.00 0.00 O ATOM 1032 CB GLU A 68 -7.941 6.229 2.004 1.00 0.00 C ATOM 1033 CG GLU A 68 -8.002 5.527 0.640 1.00 0.00 C ATOM 1034 CD GLU A 68 -9.194 5.958 -0.231 1.00 0.00 C ATOM 1035 OE1 GLU A 68 -9.257 7.144 -0.625 1.00 0.00 O ATOM 1036 OE2 GLU A 68 -10.089 5.126 -0.500 1.00 0.00 O ATOM 0 H GLU A 68 -5.519 5.888 1.412 1.00 0.00 H new ATOM 0 HA GLU A 68 -6.852 6.330 3.854 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -8.926 6.172 2.468 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -7.726 7.285 1.842 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -7.078 5.727 0.098 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -8.052 4.450 0.799 1.00 0.00 H new ATOM 1043 N THR A 69 -7.168 3.226 2.643 1.00 0.00 N ATOM 1044 CA THR A 69 -7.503 1.830 2.982 1.00 0.00 C ATOM 1045 C THR A 69 -6.426 0.868 2.438 1.00 0.00 C ATOM 1046 O THR A 69 -5.618 1.235 1.560 1.00 0.00 O ATOM 1047 CB THR A 69 -8.903 1.407 2.409 1.00 0.00 C ATOM 1048 OG1 THR A 69 -8.914 1.554 0.983 1.00 0.00 O ATOM 1049 CG2 THR A 69 -10.072 2.214 3.009 1.00 0.00 C ATOM 0 H THR A 69 -6.815 3.340 1.693 1.00 0.00 H new ATOM 0 HA THR A 69 -7.542 1.768 4.070 1.00 0.00 H new ATOM 0 HB THR A 69 -9.049 0.364 2.690 1.00 0.00 H new ATOM 0 HG1 THR A 69 -9.790 1.287 0.633 1.00 0.00 H new ATOM 0 HG21 THR A 69 -11.011 1.874 2.572 1.00 0.00 H new ATOM 0 HG22 THR A 69 -10.100 2.067 4.089 1.00 0.00 H new ATOM 0 HG23 THR A 69 -9.933 3.273 2.791 1.00 0.00 H new ATOM 1057 N LEU A 70 -6.442 -0.377 2.957 1.00 0.00 N ATOM 1058 CA LEU A 70 -5.523 -1.451 2.528 1.00 0.00 C ATOM 1059 C LEU A 70 -5.736 -1.807 1.045 1.00 0.00 C ATOM 1060 O LEU A 70 -4.787 -2.146 0.326 1.00 0.00 O ATOM 1061 CB LEU A 70 -5.741 -2.717 3.394 1.00 0.00 C ATOM 1062 CG LEU A 70 -4.803 -3.926 3.072 1.00 0.00 C ATOM 1063 CD1 LEU A 70 -3.345 -3.593 3.445 1.00 0.00 C ATOM 1064 CD2 LEU A 70 -5.291 -5.227 3.753 1.00 0.00 C ATOM 0 H LEU A 70 -7.094 -0.666 3.686 1.00 0.00 H new ATOM 0 HA LEU A 70 -4.503 -1.088 2.657 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.608 -2.446 4.441 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -6.775 -3.041 3.277 1.00 0.00 H new ATOM 0 HG LEU A 70 -4.840 -4.106 1.998 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -2.707 -4.446 3.214 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -3.013 -2.726 2.875 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.283 -3.372 4.511 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.613 -6.044 3.505 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -5.310 -5.087 4.834 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.294 -5.468 3.400 1.00 0.00 H new ATOM 1076 N GLY A 71 -7.006 -1.717 0.623 1.00 0.00 N ATOM 1077 CA GLY A 71 -7.424 -2.023 -0.736 1.00 0.00 C ATOM 1078 C GLY A 71 -6.863 -1.026 -1.723 1.00 0.00 C ATOM 1079 O GLY A 71 -6.570 -1.382 -2.857 1.00 0.00 O ATOM 0 H GLY A 71 -7.773 -1.426 1.229 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.093 -3.027 -1.003 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -8.513 -2.020 -0.793 1.00 0.00 H new ATOM 1083 N SER A 72 -6.695 0.227 -1.266 1.00 0.00 N ATOM 1084 CA SER A 72 -6.080 1.293 -2.059 1.00 0.00 C ATOM 1085 C SER A 72 -4.621 0.931 -2.391 1.00 0.00 C ATOM 1086 O SER A 72 -4.260 0.895 -3.569 1.00 0.00 O ATOM 1087 CB SER A 72 -6.165 2.626 -1.302 1.00 0.00 C ATOM 1088 OG SER A 72 -7.500 2.906 -0.942 1.00 0.00 O ATOM 0 H SER A 72 -6.984 0.524 -0.334 1.00 0.00 H new ATOM 0 HA SER A 72 -6.622 1.402 -2.999 1.00 0.00 H new ATOM 0 HB2 SER A 72 -5.542 2.584 -0.408 1.00 0.00 H new ATOM 0 HB3 SER A 72 -5.774 3.430 -1.925 1.00 0.00 H new ATOM 0 HG SER A 72 -7.769 2.322 -0.202 1.00 0.00 H new ATOM 1094 N LEU A 73 -3.811 0.592 -1.348 1.00 0.00 N ATOM 1095 CA LEU A 73 -2.398 0.169 -1.546 1.00 0.00 C ATOM 1096 C LEU A 73 -2.324 -1.049 -2.477 1.00 0.00 C ATOM 1097 O LEU A 73 -1.460 -1.111 -3.352 1.00 0.00 O ATOM 1098 CB LEU A 73 -1.686 -0.185 -0.208 1.00 0.00 C ATOM 1099 CG LEU A 73 -1.225 0.991 0.705 1.00 0.00 C ATOM 1100 CD1 LEU A 73 -0.334 1.988 -0.066 1.00 0.00 C ATOM 1101 CD2 LEU A 73 -2.412 1.683 1.383 1.00 0.00 C ATOM 0 H LEU A 73 -4.110 0.604 -0.373 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.885 1.021 -1.992 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -2.359 -0.815 0.373 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.810 -0.788 -0.445 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.614 0.566 1.501 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.030 2.795 0.600 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.551 1.472 -0.438 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.893 2.401 -0.906 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.049 2.497 2.011 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -3.083 2.083 0.623 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.950 0.962 1.999 1.00 0.00 H new ATOM 1113 N ALA A 74 -3.254 -2.000 -2.267 1.00 0.00 N ATOM 1114 CA ALA A 74 -3.356 -3.216 -3.076 1.00 0.00 C ATOM 1115 C ALA A 74 -3.587 -2.873 -4.551 1.00 0.00 C ATOM 1116 O ALA A 74 -2.910 -3.411 -5.401 1.00 0.00 O ATOM 1117 CB ALA A 74 -4.465 -4.131 -2.556 1.00 0.00 C ATOM 0 H ALA A 74 -3.955 -1.941 -1.528 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.410 -3.751 -2.994 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.518 -5.026 -3.175 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.249 -4.415 -1.526 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.419 -3.605 -2.595 1.00 0.00 H new ATOM 1123 N LEU A 75 -4.506 -1.921 -4.809 1.00 0.00 N ATOM 1124 CA LEU A 75 -4.862 -1.455 -6.168 1.00 0.00 C ATOM 1125 C LEU A 75 -3.609 -0.922 -6.891 1.00 0.00 C ATOM 1126 O LEU A 75 -3.250 -1.418 -7.975 1.00 0.00 O ATOM 1127 CB LEU A 75 -5.995 -0.360 -6.107 1.00 0.00 C ATOM 1128 CG LEU A 75 -7.436 -0.814 -6.514 1.00 0.00 C ATOM 1129 CD1 LEU A 75 -7.481 -1.250 -7.990 1.00 0.00 C ATOM 1130 CD2 LEU A 75 -7.969 -1.923 -5.584 1.00 0.00 C ATOM 0 H LEU A 75 -5.029 -1.448 -4.072 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.252 -2.300 -6.736 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -6.036 0.030 -5.090 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.704 0.467 -6.754 1.00 0.00 H new ATOM 0 HG LEU A 75 -8.096 0.046 -6.399 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -8.494 -1.561 -8.247 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -7.185 -0.415 -8.625 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.796 -2.083 -8.144 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -8.972 -2.211 -5.899 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.309 -2.789 -5.636 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -8.003 -1.553 -4.559 1.00 0.00 H new ATOM 1142 N PHE A 76 -2.925 0.050 -6.238 1.00 0.00 N ATOM 1143 CA PHE A 76 -1.699 0.674 -6.777 1.00 0.00 C ATOM 1144 C PHE A 76 -0.656 -0.396 -7.136 1.00 0.00 C ATOM 1145 O PHE A 76 -0.267 -0.499 -8.293 1.00 0.00 O ATOM 1146 CB PHE A 76 -1.100 1.719 -5.786 1.00 0.00 C ATOM 1147 CG PHE A 76 -1.892 3.030 -5.726 1.00 0.00 C ATOM 1148 CD1 PHE A 76 -1.694 4.023 -6.685 1.00 0.00 C ATOM 1149 CD2 PHE A 76 -2.836 3.262 -4.733 1.00 0.00 C ATOM 1150 CE1 PHE A 76 -2.415 5.200 -6.644 1.00 0.00 C ATOM 1151 CE2 PHE A 76 -3.555 4.439 -4.693 1.00 0.00 C ATOM 1152 CZ PHE A 76 -3.343 5.407 -5.649 1.00 0.00 C ATOM 0 H PHE A 76 -3.208 0.419 -5.330 1.00 0.00 H new ATOM 0 HA PHE A 76 -1.976 1.207 -7.687 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -1.062 1.281 -4.789 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -0.073 1.937 -6.078 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -0.968 3.870 -7.469 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -3.010 2.508 -3.980 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -2.250 5.959 -7.394 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -4.284 4.601 -3.912 1.00 0.00 H new ATOM 0 HZ PHE A 76 -3.905 6.329 -5.618 1.00 0.00 H new ATOM 1162 N VAL A 77 -0.289 -1.249 -6.156 1.00 0.00 N ATOM 1163 CA VAL A 77 0.757 -2.277 -6.336 1.00 0.00 C ATOM 1164 C VAL A 77 0.339 -3.373 -7.354 1.00 0.00 C ATOM 1165 O VAL A 77 1.212 -3.994 -7.963 1.00 0.00 O ATOM 1166 CB VAL A 77 1.237 -2.915 -4.976 1.00 0.00 C ATOM 1167 CG1 VAL A 77 1.738 -1.824 -3.998 1.00 0.00 C ATOM 1168 CG2 VAL A 77 0.141 -3.779 -4.327 1.00 0.00 C ATOM 0 H VAL A 77 -0.706 -1.245 -5.225 1.00 0.00 H new ATOM 0 HA VAL A 77 1.614 -1.749 -6.755 1.00 0.00 H new ATOM 0 HB VAL A 77 2.073 -3.576 -5.206 1.00 0.00 H new ATOM 0 HG11 VAL A 77 2.063 -2.291 -3.068 1.00 0.00 H new ATOM 0 HG12 VAL A 77 2.575 -1.289 -4.447 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.929 -1.124 -3.789 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.514 -4.199 -3.393 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -0.735 -3.163 -4.124 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.133 -4.588 -5.004 1.00 0.00 H new ATOM 1178 N GLU A 78 -0.985 -3.616 -7.539 1.00 0.00 N ATOM 1179 CA GLU A 78 -1.473 -4.497 -8.631 1.00 0.00 C ATOM 1180 C GLU A 78 -1.006 -3.919 -9.978 1.00 0.00 C ATOM 1181 O GLU A 78 -0.336 -4.601 -10.751 1.00 0.00 O ATOM 1182 CB GLU A 78 -3.029 -4.658 -8.653 1.00 0.00 C ATOM 1183 CG GLU A 78 -3.658 -5.464 -7.492 1.00 0.00 C ATOM 1184 CD GLU A 78 -3.224 -6.938 -7.385 1.00 0.00 C ATOM 1185 OE1 GLU A 78 -2.914 -7.563 -8.418 1.00 0.00 O ATOM 1186 OE2 GLU A 78 -3.230 -7.499 -6.253 1.00 0.00 O ATOM 0 H GLU A 78 -1.723 -3.221 -6.956 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.058 -5.489 -8.454 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -3.474 -3.663 -8.658 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -3.309 -5.137 -9.591 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.414 -4.964 -6.554 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -4.742 -5.431 -7.598 1.00 0.00 H new ATOM 1193 N HIS A 79 -1.313 -2.616 -10.190 1.00 0.00 N ATOM 1194 CA HIS A 79 -0.972 -1.884 -11.434 1.00 0.00 C ATOM 1195 C HIS A 79 0.556 -1.835 -11.681 1.00 0.00 C ATOM 1196 O HIS A 79 1.013 -1.972 -12.822 1.00 0.00 O ATOM 1197 CB HIS A 79 -1.545 -0.440 -11.391 1.00 0.00 C ATOM 1198 CG HIS A 79 -3.049 -0.353 -11.491 1.00 0.00 C ATOM 1199 ND1 HIS A 79 -3.726 -0.519 -12.675 1.00 0.00 N ATOM 1200 CD2 HIS A 79 -4.000 -0.112 -10.558 1.00 0.00 C ATOM 1201 CE1 HIS A 79 -5.017 -0.383 -12.465 1.00 0.00 C ATOM 1202 NE2 HIS A 79 -5.215 -0.138 -11.190 1.00 0.00 N ATOM 0 H HIS A 79 -1.804 -2.043 -9.503 1.00 0.00 H new ATOM 0 HA HIS A 79 -1.426 -2.430 -12.261 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -1.229 0.034 -10.462 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -1.107 0.134 -12.207 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -3.831 0.068 -9.507 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -5.788 -0.460 -13.217 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -6.121 0.008 -10.745 1.00 0.00 H new ATOM 1211 N LYS A 80 1.319 -1.656 -10.593 1.00 0.00 N ATOM 1212 CA LYS A 80 2.786 -1.498 -10.641 1.00 0.00 C ATOM 1213 C LYS A 80 3.478 -2.791 -11.078 1.00 0.00 C ATOM 1214 O LYS A 80 4.285 -2.800 -12.009 1.00 0.00 O ATOM 1215 CB LYS A 80 3.329 -1.058 -9.256 1.00 0.00 C ATOM 1216 CG LYS A 80 2.730 0.256 -8.717 1.00 0.00 C ATOM 1217 CD LYS A 80 2.931 1.446 -9.670 1.00 0.00 C ATOM 1218 CE LYS A 80 4.394 1.892 -9.776 1.00 0.00 C ATOM 1219 NZ LYS A 80 4.545 3.032 -10.708 1.00 0.00 N ATOM 0 H LYS A 80 0.937 -1.616 -9.648 1.00 0.00 H new ATOM 0 HA LYS A 80 3.007 -0.727 -11.379 1.00 0.00 H new ATOM 0 HB2 LYS A 80 3.134 -1.852 -8.536 1.00 0.00 H new ATOM 0 HB3 LYS A 80 4.411 -0.947 -9.324 1.00 0.00 H new ATOM 0 HG2 LYS A 80 1.664 0.116 -8.540 1.00 0.00 H new ATOM 0 HG3 LYS A 80 3.186 0.488 -7.754 1.00 0.00 H new ATOM 0 HD2 LYS A 80 2.567 1.175 -10.661 1.00 0.00 H new ATOM 0 HD3 LYS A 80 2.326 2.285 -9.327 1.00 0.00 H new ATOM 0 HE2 LYS A 80 4.762 2.175 -8.790 1.00 0.00 H new ATOM 0 HE3 LYS A 80 5.007 1.057 -10.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 5.555 3.244 -10.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 4.123 2.788 -11.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 4.063 3.866 -10.317 1.00 0.00 H new ATOM 1233 N LEU A 81 3.146 -3.886 -10.389 1.00 0.00 N ATOM 1234 CA LEU A 81 3.724 -5.210 -10.673 1.00 0.00 C ATOM 1235 C LEU A 81 3.182 -5.777 -12.008 1.00 0.00 C ATOM 1236 O LEU A 81 3.789 -6.681 -12.584 1.00 0.00 O ATOM 1237 CB LEU A 81 3.495 -6.193 -9.477 1.00 0.00 C ATOM 1238 CG LEU A 81 4.425 -6.002 -8.219 1.00 0.00 C ATOM 1239 CD1 LEU A 81 5.915 -6.124 -8.599 1.00 0.00 C ATOM 1240 CD2 LEU A 81 4.159 -4.672 -7.476 1.00 0.00 C ATOM 0 H LEU A 81 2.473 -3.884 -9.622 1.00 0.00 H new ATOM 0 HA LEU A 81 4.802 -5.095 -10.788 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.459 -6.099 -9.152 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.623 -7.211 -9.844 1.00 0.00 H new ATOM 0 HG LEU A 81 4.176 -6.808 -7.529 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.530 -5.987 -7.709 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.103 -7.111 -9.022 1.00 0.00 H new ATOM 0 HD13 LEU A 81 6.167 -5.360 -9.335 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.828 -4.594 -6.619 1.00 0.00 H new ATOM 0 HD22 LEU A 81 4.337 -3.836 -8.152 1.00 0.00 H new ATOM 0 HD23 LEU A 81 3.125 -4.648 -7.133 1.00 0.00 H new ATOM 1252 N SER A 82 2.053 -5.222 -12.497 1.00 0.00 N ATOM 1253 CA SER A 82 1.526 -5.533 -13.837 1.00 0.00 C ATOM 1254 C SER A 82 2.304 -4.766 -14.932 1.00 0.00 C ATOM 1255 O SER A 82 2.492 -5.286 -16.033 1.00 0.00 O ATOM 1256 CB SER A 82 0.022 -5.196 -13.927 1.00 0.00 C ATOM 1257 OG SER A 82 -0.748 -6.017 -13.065 1.00 0.00 O ATOM 0 H SER A 82 1.487 -4.551 -11.977 1.00 0.00 H new ATOM 0 HA SER A 82 1.657 -6.602 -14.003 1.00 0.00 H new ATOM 0 HB2 SER A 82 -0.133 -4.149 -13.668 1.00 0.00 H new ATOM 0 HB3 SER A 82 -0.320 -5.324 -14.954 1.00 0.00 H new ATOM 0 HG SER A 82 -0.717 -5.655 -12.155 1.00 0.00 H new