USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 510 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 18 THR OG1 : rot -160:sc= -1.6 USER MOD Set 1.2: A 21 MET CE :methyl 174:sc= -1.13 (180deg=-1.31) USER MOD Single : A 1 ASN : amide:sc= -0.201 X(o=-0.2,f=-0.14) USER MOD Single : A 1 ASN N :NH3+ -166:sc= 0 (180deg=-0.271) USER MOD Single : A 2 GLN : amide:sc= -0.325 X(o=-0.32,f=-0.27) USER MOD Single : A 4 SER OG : rot 170:sc= -0.0085 USER MOD Single : A 8 ASN : amide:sc= -1.37 X(o=-1.4,f=-1.8!) USER MOD Single : A 9 GLN : amide:sc= -0.0395 X(o=-0.04,f=0) USER MOD Single : A 14 ASN : amide:sc= -0.235 K(o=-0.24,f=-2.3!) USER MOD Single : A 15 THR OG1 : rot 94:sc= -0.603 USER MOD Single : A 22 MET CE :methyl -148:sc= -3.01 (180deg=-5.01!) USER MOD Single : A 24 SER OG : rot 180:sc= -0.657 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.217 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl 149:sc= -3.59 (180deg=-4.15!) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 ASN : amide:sc= -2.83 K(o=-2.8,f=-5.9!) USER MOD Single : A 53 THR OG1 : rot 106:sc= 0.757 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.0191 USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl -165:sc= -1.56 (180deg=-2.27!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot -101:sc= -1.97 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -14.047 -12.497 -5.320 1.00 0.00 N ATOM 2 CA ASN A 1 -13.732 -11.575 -4.193 1.00 0.00 C ATOM 3 C ASN A 1 -12.964 -10.368 -4.723 1.00 0.00 C ATOM 4 O ASN A 1 -13.365 -9.222 -4.524 1.00 0.00 O ATOM 5 CB ASN A 1 -12.877 -12.308 -3.157 1.00 0.00 C ATOM 6 CG ASN A 1 -13.589 -13.582 -2.719 1.00 0.00 C ATOM 7 OD1 ASN A 1 -13.003 -14.665 -2.730 1.00 0.00 O ATOM 8 ND2 ASN A 1 -14.833 -13.519 -2.330 1.00 0.00 N ATOM 0 H1 ASN A 1 -14.762 -13.188 -5.014 1.00 0.00 H new ATOM 0 H2 ASN A 1 -14.416 -11.950 -6.124 1.00 0.00 H new ATOM 0 H3 ASN A 1 -13.183 -12.998 -5.610 1.00 0.00 H new ATOM 0 HA ASN A 1 -14.659 -11.241 -3.728 1.00 0.00 H new ATOM 0 HB2 ASN A 1 -11.902 -12.551 -3.581 1.00 0.00 H new ATOM 0 HB3 ASN A 1 -12.699 -11.664 -2.296 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -15.319 -14.366 -2.036 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -15.320 -12.623 -2.320 1.00 0.00 H new ATOM 15 N GLN A 2 -11.852 -10.641 -5.402 1.00 0.00 N ATOM 16 CA GLN A 2 -11.027 -9.572 -5.962 1.00 0.00 C ATOM 17 C GLN A 2 -10.511 -8.658 -4.853 1.00 0.00 C ATOM 18 O GLN A 2 -11.081 -7.600 -4.584 1.00 0.00 O ATOM 19 CB GLN A 2 -11.831 -8.739 -6.964 1.00 0.00 C ATOM 20 CG GLN A 2 -11.670 -9.329 -8.366 1.00 0.00 C ATOM 21 CD GLN A 2 -10.237 -9.122 -8.843 1.00 0.00 C ATOM 22 OE1 GLN A 2 -9.829 -7.997 -9.133 1.00 0.00 O ATOM 23 NE2 GLN A 2 -9.440 -10.150 -8.944 1.00 0.00 N ATOM 0 H GLN A 2 -11.504 -11.584 -5.577 1.00 0.00 H new ATOM 0 HA GLN A 2 -10.183 -10.034 -6.473 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -12.884 -8.728 -6.682 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -11.487 -7.705 -6.952 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -11.911 -10.392 -8.355 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -12.367 -8.852 -9.055 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -9.777 -11.082 -8.704 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -8.480 -10.021 -9.263 1.00 0.00 H new ATOM 32 N ALA A 3 -9.425 -9.082 -4.213 1.00 0.00 N ATOM 33 CA ALA A 3 -8.836 -8.297 -3.132 1.00 0.00 C ATOM 34 C ALA A 3 -7.936 -7.203 -3.697 1.00 0.00 C ATOM 35 O ALA A 3 -7.631 -7.182 -4.889 1.00 0.00 O ATOM 36 CB ALA A 3 -8.011 -9.194 -2.207 1.00 0.00 C ATOM 0 H ALA A 3 -8.939 -9.955 -4.421 1.00 0.00 H new ATOM 0 HA ALA A 3 -9.648 -7.842 -2.565 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -7.579 -8.593 -1.407 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -8.654 -9.962 -1.777 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -7.211 -9.667 -2.777 1.00 0.00 H new ATOM 42 N SER A 4 -7.512 -6.294 -2.824 1.00 0.00 N ATOM 43 CA SER A 4 -6.644 -5.197 -3.242 1.00 0.00 C ATOM 44 C SER A 4 -5.487 -5.031 -2.263 1.00 0.00 C ATOM 45 O SER A 4 -5.293 -5.849 -1.363 1.00 0.00 O ATOM 46 CB SER A 4 -7.432 -3.887 -3.310 1.00 0.00 C ATOM 47 OG SER A 4 -8.674 -4.120 -3.958 1.00 0.00 O ATOM 0 H SER A 4 -7.752 -6.294 -1.833 1.00 0.00 H new ATOM 0 HA SER A 4 -6.252 -5.436 -4.231 1.00 0.00 H new ATOM 0 HB2 SER A 4 -7.600 -3.498 -2.306 1.00 0.00 H new ATOM 0 HB3 SER A 4 -6.861 -3.134 -3.853 1.00 0.00 H new ATOM 0 HG SER A 4 -9.246 -3.330 -3.862 1.00 0.00 H new ATOM 53 N VAL A 5 -4.718 -3.961 -2.448 1.00 0.00 N ATOM 54 CA VAL A 5 -3.578 -3.694 -1.574 1.00 0.00 C ATOM 55 C VAL A 5 -3.731 -2.333 -0.903 1.00 0.00 C ATOM 56 O VAL A 5 -3.275 -1.315 -1.421 1.00 0.00 O ATOM 57 CB VAL A 5 -2.271 -3.709 -2.374 1.00 0.00 C ATOM 58 CG1 VAL A 5 -1.082 -3.631 -1.414 1.00 0.00 C ATOM 59 CG2 VAL A 5 -2.182 -5.005 -3.186 1.00 0.00 C ATOM 0 H VAL A 5 -4.860 -3.272 -3.186 1.00 0.00 H new ATOM 0 HA VAL A 5 -3.547 -4.475 -0.815 1.00 0.00 H new ATOM 0 HB VAL A 5 -2.252 -2.853 -3.049 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -0.153 -3.642 -1.984 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -1.142 -2.710 -0.835 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -1.103 -4.486 -0.738 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.252 -5.015 -3.755 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.203 -5.860 -2.510 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -3.027 -5.064 -3.872 1.00 0.00 H new ATOM 69 N VAL A 6 -4.379 -2.327 0.259 1.00 0.00 N ATOM 70 CA VAL A 6 -4.587 -1.082 0.995 1.00 0.00 C ATOM 71 C VAL A 6 -3.423 -0.831 1.949 1.00 0.00 C ATOM 72 O VAL A 6 -2.778 -1.763 2.425 1.00 0.00 O ATOM 73 CB VAL A 6 -5.892 -1.141 1.794 1.00 0.00 C ATOM 74 CG1 VAL A 6 -6.174 0.226 2.423 1.00 0.00 C ATOM 75 CG2 VAL A 6 -7.042 -1.513 0.858 1.00 0.00 C ATOM 0 H VAL A 6 -4.765 -3.158 0.707 1.00 0.00 H new ATOM 0 HA VAL A 6 -4.646 -0.267 0.273 1.00 0.00 H new ATOM 0 HB VAL A 6 -5.800 -1.890 2.581 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -7.103 0.181 2.991 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -5.355 0.496 3.089 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -6.265 0.976 1.637 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -7.973 -1.556 1.424 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -7.129 -0.762 0.073 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -6.845 -2.487 0.409 1.00 0.00 H new ATOM 85 N ALA A 7 -3.167 0.445 2.220 1.00 0.00 N ATOM 86 CA ALA A 7 -2.079 0.818 3.120 1.00 0.00 C ATOM 87 C ALA A 7 -2.448 0.498 4.564 1.00 0.00 C ATOM 88 O ALA A 7 -3.510 0.888 5.051 1.00 0.00 O ATOM 89 CB ALA A 7 -1.778 2.314 3.004 1.00 0.00 C ATOM 0 H ALA A 7 -3.691 1.231 1.835 1.00 0.00 H new ATOM 0 HA ALA A 7 -1.196 0.246 2.835 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -0.965 2.575 3.681 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -1.487 2.548 1.980 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -2.668 2.886 3.268 1.00 0.00 H new ATOM 95 N ASN A 8 -1.558 -0.218 5.246 1.00 0.00 N ATOM 96 CA ASN A 8 -1.798 -0.588 6.639 1.00 0.00 C ATOM 97 C ASN A 8 -0.975 0.292 7.577 1.00 0.00 C ATOM 98 O ASN A 8 -0.580 -0.134 8.661 1.00 0.00 O ATOM 99 CB ASN A 8 -1.426 -2.052 6.876 1.00 0.00 C ATOM 100 CG ASN A 8 -2.128 -2.560 8.130 1.00 0.00 C ATOM 101 OD1 ASN A 8 -2.429 -1.785 9.038 1.00 0.00 O ATOM 102 ND2 ASN A 8 -2.409 -3.830 8.237 1.00 0.00 N ATOM 0 H ASN A 8 -0.673 -0.551 4.863 1.00 0.00 H new ATOM 0 HA ASN A 8 -2.859 -0.445 6.845 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -1.715 -2.655 6.015 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -0.346 -2.150 6.986 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -2.878 -4.180 9.073 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -2.160 -4.473 7.485 1.00 0.00 H new ATOM 109 N GLN A 9 -0.723 1.527 7.146 1.00 0.00 N ATOM 110 CA GLN A 9 0.054 2.465 7.952 1.00 0.00 C ATOM 111 C GLN A 9 0.151 3.811 7.239 1.00 0.00 C ATOM 112 O GLN A 9 -0.067 3.906 6.031 1.00 0.00 O ATOM 113 CB GLN A 9 1.469 1.921 8.200 1.00 0.00 C ATOM 114 CG GLN A 9 1.554 1.311 9.605 1.00 0.00 C ATOM 115 CD GLN A 9 2.907 1.642 10.228 1.00 0.00 C ATOM 116 OE1 GLN A 9 3.705 0.748 10.506 1.00 0.00 O ATOM 117 NE2 GLN A 9 3.213 2.888 10.467 1.00 0.00 N ATOM 0 H GLN A 9 -1.043 1.898 6.251 1.00 0.00 H new ATOM 0 HA GLN A 9 -0.451 2.593 8.909 1.00 0.00 H new ATOM 0 HB2 GLN A 9 1.715 1.168 7.451 1.00 0.00 H new ATOM 0 HB3 GLN A 9 2.200 2.723 8.097 1.00 0.00 H new ATOM 0 HG2 GLN A 9 0.750 1.700 10.230 1.00 0.00 H new ATOM 0 HG3 GLN A 9 1.422 0.230 9.551 1.00 0.00 H new ATOM 0 HE21 GLN A 9 2.551 3.629 10.236 1.00 0.00 H new ATOM 0 HE22 GLN A 9 4.114 3.121 10.884 1.00 0.00 H new ATOM 126 N LEU A 10 0.480 4.851 7.999 1.00 0.00 N ATOM 127 CA LEU A 10 0.602 6.188 7.426 1.00 0.00 C ATOM 128 C LEU A 10 1.854 6.282 6.559 1.00 0.00 C ATOM 129 O LEU A 10 2.952 6.543 7.051 1.00 0.00 O ATOM 130 CB LEU A 10 0.677 7.245 8.533 1.00 0.00 C ATOM 131 CG LEU A 10 0.611 8.645 7.915 1.00 0.00 C ATOM 132 CD1 LEU A 10 -0.742 8.843 7.228 1.00 0.00 C ATOM 133 CD2 LEU A 10 0.781 9.694 9.015 1.00 0.00 C ATOM 0 H LEU A 10 0.665 4.796 9.001 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.280 6.373 6.813 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -0.145 7.108 9.236 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.602 7.129 9.098 1.00 0.00 H new ATOM 0 HG LEU A 10 1.408 8.753 7.179 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.785 9.840 6.790 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -0.865 8.096 6.444 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.542 8.734 7.961 1.00 0.00 H new ATOM 0 HD21 LEU A 10 0.734 10.691 8.577 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -0.016 9.583 9.750 1.00 0.00 H new ATOM 0 HD23 LEU A 10 1.746 9.557 9.503 1.00 0.00 H new ATOM 145 N ILE A 11 1.672 6.064 5.261 1.00 0.00 N ATOM 146 CA ILE A 11 2.787 6.121 4.321 1.00 0.00 C ATOM 147 C ILE A 11 2.950 7.551 3.779 1.00 0.00 C ATOM 148 O ILE A 11 2.091 8.030 3.041 1.00 0.00 O ATOM 149 CB ILE A 11 2.540 5.174 3.143 1.00 0.00 C ATOM 150 CG1 ILE A 11 2.217 3.769 3.665 1.00 0.00 C ATOM 151 CG2 ILE A 11 3.792 5.110 2.265 1.00 0.00 C ATOM 152 CD1 ILE A 11 1.254 3.075 2.700 1.00 0.00 C ATOM 0 H ILE A 11 0.770 5.848 4.837 1.00 0.00 H new ATOM 0 HA ILE A 11 3.692 5.820 4.849 1.00 0.00 H new ATOM 0 HB ILE A 11 1.699 5.546 2.557 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.133 3.186 3.763 1.00 0.00 H new ATOM 0 HG13 ILE A 11 1.771 3.832 4.658 1.00 0.00 H new ATOM 0 HG21 ILE A 11 3.615 4.436 1.427 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.022 6.106 1.887 1.00 0.00 H new ATOM 0 HG23 ILE A 11 4.632 4.743 2.855 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.024 2.076 3.071 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.334 3.655 2.625 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.717 2.999 1.716 1.00 0.00 H new ATOM 164 N PRO A 12 4.044 8.257 4.128 1.00 0.00 N ATOM 165 CA PRO A 12 4.259 9.633 3.643 1.00 0.00 C ATOM 166 C PRO A 12 4.836 9.673 2.229 1.00 0.00 C ATOM 167 O PRO A 12 5.452 8.713 1.768 1.00 0.00 O ATOM 168 CB PRO A 12 5.259 10.183 4.651 1.00 0.00 C ATOM 169 CG PRO A 12 5.989 8.990 5.255 1.00 0.00 C ATOM 170 CD PRO A 12 5.121 7.751 5.011 1.00 0.00 C ATOM 0 HA PRO A 12 3.332 10.202 3.575 1.00 0.00 H new ATOM 0 HB2 PRO A 12 5.962 10.860 4.166 1.00 0.00 H new ATOM 0 HB3 PRO A 12 4.749 10.755 5.426 1.00 0.00 H new ATOM 0 HG2 PRO A 12 6.970 8.868 4.796 1.00 0.00 H new ATOM 0 HG3 PRO A 12 6.153 9.140 6.322 1.00 0.00 H new ATOM 0 HD2 PRO A 12 5.688 6.950 4.536 1.00 0.00 H new ATOM 0 HD3 PRO A 12 4.722 7.350 5.943 1.00 0.00 H new ATOM 178 N ILE A 13 4.626 10.796 1.549 1.00 0.00 N ATOM 179 CA ILE A 13 5.127 10.956 0.187 1.00 0.00 C ATOM 180 C ILE A 13 6.655 10.874 0.169 1.00 0.00 C ATOM 181 O ILE A 13 7.319 11.155 1.167 1.00 0.00 O ATOM 182 CB ILE A 13 4.661 12.299 -0.399 1.00 0.00 C ATOM 183 CG1 ILE A 13 5.103 12.393 -1.863 1.00 0.00 C ATOM 184 CG2 ILE A 13 5.260 13.463 0.404 1.00 0.00 C ATOM 185 CD1 ILE A 13 4.569 13.688 -2.485 1.00 0.00 C ATOM 0 H ILE A 13 4.118 11.602 1.914 1.00 0.00 H new ATOM 0 HA ILE A 13 4.727 10.149 -0.427 1.00 0.00 H new ATOM 0 HB ILE A 13 3.574 12.359 -0.342 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.191 12.370 -1.926 1.00 0.00 H new ATOM 0 HG13 ILE A 13 4.733 11.532 -2.420 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.923 14.409 -0.020 1.00 0.00 H new ATOM 0 HG22 ILE A 13 4.935 13.394 1.442 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.348 13.413 0.361 1.00 0.00 H new ATOM 0 HD11 ILE A 13 4.886 13.750 -3.526 1.00 0.00 H new ATOM 0 HD12 ILE A 13 3.480 13.693 -2.437 1.00 0.00 H new ATOM 0 HD13 ILE A 13 4.960 14.544 -1.935 1.00 0.00 H new ATOM 197 N ASN A 14 7.201 10.487 -0.982 1.00 0.00 N ATOM 198 CA ASN A 14 8.651 10.369 -1.128 1.00 0.00 C ATOM 199 C ASN A 14 9.203 9.331 -0.155 1.00 0.00 C ATOM 200 O ASN A 14 10.322 9.459 0.344 1.00 0.00 O ATOM 201 CB ASN A 14 9.331 11.715 -0.866 1.00 0.00 C ATOM 202 CG ASN A 14 9.437 12.495 -2.171 1.00 0.00 C ATOM 203 OD1 ASN A 14 9.504 11.906 -3.250 1.00 0.00 O ATOM 204 ND2 ASN A 14 9.456 13.800 -2.138 1.00 0.00 N ATOM 0 H ASN A 14 6.668 10.252 -1.819 1.00 0.00 H new ATOM 0 HA ASN A 14 8.860 10.054 -2.150 1.00 0.00 H new ATOM 0 HB2 ASN A 14 8.760 12.286 -0.134 1.00 0.00 H new ATOM 0 HB3 ASN A 14 10.323 11.557 -0.443 1.00 0.00 H new ATOM 0 HD21 ASN A 14 9.526 14.331 -3.006 1.00 0.00 H new ATOM 0 HD22 ASN A 14 9.400 14.288 -1.244 1.00 0.00 H new ATOM 211 N THR A 15 8.405 8.301 0.108 1.00 0.00 N ATOM 212 CA THR A 15 8.820 7.242 1.023 1.00 0.00 C ATOM 213 C THR A 15 8.596 5.872 0.389 1.00 0.00 C ATOM 214 O THR A 15 7.729 5.703 -0.467 1.00 0.00 O ATOM 215 CB THR A 15 8.029 7.320 2.331 1.00 0.00 C ATOM 216 OG1 THR A 15 8.094 8.644 2.843 1.00 0.00 O ATOM 217 CG2 THR A 15 8.625 6.348 3.350 1.00 0.00 C ATOM 0 H THR A 15 7.476 8.177 -0.295 1.00 0.00 H new ATOM 0 HA THR A 15 9.881 7.378 1.233 1.00 0.00 H new ATOM 0 HB THR A 15 6.989 7.052 2.143 1.00 0.00 H new ATOM 0 HG1 THR A 15 7.314 9.152 2.537 1.00 0.00 H new ATOM 0 HG21 THR A 15 8.060 6.405 4.281 1.00 0.00 H new ATOM 0 HG22 THR A 15 8.575 5.333 2.957 1.00 0.00 H new ATOM 0 HG23 THR A 15 9.665 6.613 3.540 1.00 0.00 H new ATOM 225 N ALA A 16 9.391 4.897 0.819 1.00 0.00 N ATOM 226 CA ALA A 16 9.276 3.542 0.288 1.00 0.00 C ATOM 227 C ALA A 16 8.232 2.751 1.068 1.00 0.00 C ATOM 228 O ALA A 16 8.037 2.963 2.266 1.00 0.00 O ATOM 229 CB ALA A 16 10.619 2.815 0.375 1.00 0.00 C ATOM 0 H ALA A 16 10.115 5.017 1.527 1.00 0.00 H new ATOM 0 HA ALA A 16 8.971 3.616 -0.756 1.00 0.00 H new ATOM 0 HB1 ALA A 16 10.514 1.807 -0.025 1.00 0.00 H new ATOM 0 HB2 ALA A 16 11.365 3.359 -0.204 1.00 0.00 H new ATOM 0 HB3 ALA A 16 10.936 2.760 1.416 1.00 0.00 H new ATOM 235 N LEU A 17 7.561 1.834 0.376 1.00 0.00 N ATOM 236 CA LEU A 17 6.536 1.011 1.012 1.00 0.00 C ATOM 237 C LEU A 17 7.152 -0.264 1.579 1.00 0.00 C ATOM 238 O LEU A 17 8.315 -0.576 1.321 1.00 0.00 O ATOM 239 CB LEU A 17 5.450 0.631 0.002 1.00 0.00 C ATOM 240 CG LEU A 17 4.841 1.901 -0.595 1.00 0.00 C ATOM 241 CD1 LEU A 17 4.195 1.573 -1.942 1.00 0.00 C ATOM 242 CD2 LEU A 17 3.779 2.453 0.359 1.00 0.00 C ATOM 0 H LEU A 17 7.706 1.643 -0.615 1.00 0.00 H new ATOM 0 HA LEU A 17 6.093 1.593 1.820 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.874 0.012 -0.789 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.676 0.038 0.490 1.00 0.00 H new ATOM 0 HG LEU A 17 5.623 2.646 -0.740 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.761 2.478 -2.367 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.951 1.179 -2.622 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.412 0.828 -1.798 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.344 3.358 -0.065 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.997 1.708 0.503 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.239 2.687 1.319 1.00 0.00 H new ATOM 254 N THR A 18 6.359 -0.995 2.354 1.00 0.00 N ATOM 255 CA THR A 18 6.834 -2.238 2.955 1.00 0.00 C ATOM 256 C THR A 18 5.687 -3.234 3.097 1.00 0.00 C ATOM 257 O THR A 18 4.528 -2.908 2.843 1.00 0.00 O ATOM 258 CB THR A 18 7.435 -1.972 4.338 1.00 0.00 C ATOM 259 OG1 THR A 18 6.541 -1.165 5.093 1.00 0.00 O ATOM 260 CG2 THR A 18 8.772 -1.247 4.184 1.00 0.00 C ATOM 0 H THR A 18 5.394 -0.753 2.580 1.00 0.00 H new ATOM 0 HA THR A 18 7.600 -2.654 2.301 1.00 0.00 H new ATOM 0 HB THR A 18 7.595 -2.919 4.854 1.00 0.00 H new ATOM 0 HG1 THR A 18 7.029 -0.734 5.826 1.00 0.00 H new ATOM 0 HG21 THR A 18 9.199 -1.058 5.169 1.00 0.00 H new ATOM 0 HG22 THR A 18 9.457 -1.866 3.604 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.615 -0.299 3.669 1.00 0.00 H new ATOM 268 N LEU A 19 6.027 -4.453 3.504 1.00 0.00 N ATOM 269 CA LEU A 19 5.020 -5.496 3.678 1.00 0.00 C ATOM 270 C LEU A 19 4.089 -5.152 4.836 1.00 0.00 C ATOM 271 O LEU A 19 2.906 -5.492 4.822 1.00 0.00 O ATOM 272 CB LEU A 19 5.691 -6.842 3.960 1.00 0.00 C ATOM 273 CG LEU A 19 6.678 -7.170 2.836 1.00 0.00 C ATOM 274 CD1 LEU A 19 7.901 -7.882 3.417 1.00 0.00 C ATOM 275 CD2 LEU A 19 6.000 -8.082 1.809 1.00 0.00 C ATOM 0 H LEU A 19 6.982 -4.742 3.718 1.00 0.00 H new ATOM 0 HA LEU A 19 4.441 -5.563 2.757 1.00 0.00 H new ATOM 0 HB2 LEU A 19 6.212 -6.806 4.917 1.00 0.00 H new ATOM 0 HB3 LEU A 19 4.938 -7.626 4.037 1.00 0.00 H new ATOM 0 HG LEU A 19 6.992 -6.245 2.352 1.00 0.00 H new ATOM 0 HD11 LEU A 19 8.602 -8.114 2.615 1.00 0.00 H new ATOM 0 HD12 LEU A 19 8.387 -7.234 4.147 1.00 0.00 H new ATOM 0 HD13 LEU A 19 7.587 -8.806 3.904 1.00 0.00 H new ATOM 0 HD21 LEU A 19 6.703 -8.315 1.009 1.00 0.00 H new ATOM 0 HD22 LEU A 19 5.684 -9.005 2.295 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.130 -7.576 1.391 1.00 0.00 H new ATOM 287 N VAL A 20 4.638 -4.474 5.840 1.00 0.00 N ATOM 288 CA VAL A 20 3.848 -4.088 7.007 1.00 0.00 C ATOM 289 C VAL A 20 2.796 -3.049 6.627 1.00 0.00 C ATOM 290 O VAL A 20 1.725 -2.982 7.233 1.00 0.00 O ATOM 291 CB VAL A 20 4.751 -3.510 8.100 1.00 0.00 C ATOM 292 CG1 VAL A 20 5.655 -4.614 8.652 1.00 0.00 C ATOM 293 CG2 VAL A 20 5.616 -2.390 7.517 1.00 0.00 C ATOM 0 H VAL A 20 5.615 -4.183 5.871 1.00 0.00 H new ATOM 0 HA VAL A 20 3.351 -4.982 7.383 1.00 0.00 H new ATOM 0 HB VAL A 20 4.132 -3.108 8.902 1.00 0.00 H new ATOM 0 HG11 VAL A 20 6.298 -4.203 9.430 1.00 0.00 H new ATOM 0 HG12 VAL A 20 5.041 -5.411 9.072 1.00 0.00 H new ATOM 0 HG13 VAL A 20 6.271 -5.016 7.848 1.00 0.00 H new ATOM 0 HG21 VAL A 20 6.257 -1.981 8.298 1.00 0.00 H new ATOM 0 HG22 VAL A 20 6.234 -2.789 6.712 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.974 -1.601 7.125 1.00 0.00 H new ATOM 303 N MET A 21 3.107 -2.239 5.619 1.00 0.00 N ATOM 304 CA MET A 21 2.177 -1.207 5.170 1.00 0.00 C ATOM 305 C MET A 21 1.433 -1.667 3.920 1.00 0.00 C ATOM 306 O MET A 21 1.079 -0.862 3.058 1.00 0.00 O ATOM 307 CB MET A 21 2.923 0.092 4.855 1.00 0.00 C ATOM 308 CG MET A 21 3.788 0.489 6.054 1.00 0.00 C ATOM 309 SD MET A 21 3.934 2.292 6.127 1.00 0.00 S ATOM 310 CE MET A 21 5.246 2.463 4.892 1.00 0.00 C ATOM 0 H MET A 21 3.986 -2.276 5.102 1.00 0.00 H new ATOM 0 HA MET A 21 1.463 -1.028 5.974 1.00 0.00 H new ATOM 0 HB2 MET A 21 3.547 -0.040 3.971 1.00 0.00 H new ATOM 0 HB3 MET A 21 2.212 0.886 4.628 1.00 0.00 H new ATOM 0 HG2 MET A 21 3.345 0.112 6.976 1.00 0.00 H new ATOM 0 HG3 MET A 21 4.776 0.037 5.968 1.00 0.00 H new ATOM 0 HE1 MET A 21 5.425 3.520 4.696 1.00 0.00 H new ATOM 0 HE2 MET A 21 6.160 2.003 5.267 1.00 0.00 H new ATOM 0 HE3 MET A 21 4.943 1.969 3.969 1.00 0.00 H new ATOM 320 N MET A 22 1.197 -2.973 3.831 1.00 0.00 N ATOM 321 CA MET A 22 0.492 -3.534 2.682 1.00 0.00 C ATOM 322 C MET A 22 -0.284 -4.783 3.092 1.00 0.00 C ATOM 323 O MET A 22 0.301 -5.801 3.464 1.00 0.00 O ATOM 324 CB MET A 22 1.479 -3.901 1.573 1.00 0.00 C ATOM 325 CG MET A 22 2.007 -2.623 0.918 1.00 0.00 C ATOM 326 SD MET A 22 2.434 -2.960 -0.809 1.00 0.00 S ATOM 327 CE MET A 22 3.642 -4.271 -0.491 1.00 0.00 C ATOM 0 H MET A 22 1.480 -3.657 4.533 1.00 0.00 H new ATOM 0 HA MET A 22 -0.202 -2.779 2.312 1.00 0.00 H new ATOM 0 HB2 MET A 22 2.306 -4.480 1.984 1.00 0.00 H new ATOM 0 HB3 MET A 22 0.989 -4.529 0.828 1.00 0.00 H new ATOM 0 HG2 MET A 22 1.254 -1.837 0.971 1.00 0.00 H new ATOM 0 HG3 MET A 22 2.883 -2.261 1.456 1.00 0.00 H new ATOM 0 HE1 MET A 22 4.416 -4.247 -1.258 1.00 0.00 H new ATOM 0 HE2 MET A 22 4.097 -4.117 0.488 1.00 0.00 H new ATOM 0 HE3 MET A 22 3.142 -5.239 -0.511 1.00 0.00 H new ATOM 337 N ARG A 23 -1.609 -4.692 3.020 1.00 0.00 N ATOM 338 CA ARG A 23 -2.462 -5.820 3.386 1.00 0.00 C ATOM 339 C ARG A 23 -3.466 -6.109 2.275 1.00 0.00 C ATOM 340 O ARG A 23 -3.463 -5.459 1.230 1.00 0.00 O ATOM 341 CB ARG A 23 -3.223 -5.518 4.679 1.00 0.00 C ATOM 342 CG ARG A 23 -3.977 -4.193 4.532 1.00 0.00 C ATOM 343 CD ARG A 23 -5.321 -4.284 5.258 1.00 0.00 C ATOM 344 NE ARG A 23 -5.122 -4.335 6.705 1.00 0.00 N ATOM 345 CZ ARG A 23 -5.804 -5.194 7.458 1.00 0.00 C ATOM 346 NH1 ARG A 23 -7.102 -5.267 7.353 1.00 0.00 N ATOM 347 NH2 ARG A 23 -5.174 -5.963 8.304 1.00 0.00 N ATOM 0 H ARG A 23 -2.112 -3.859 2.715 1.00 0.00 H new ATOM 0 HA ARG A 23 -1.824 -6.691 3.536 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -3.923 -6.324 4.898 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -2.529 -5.462 5.517 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -3.384 -3.377 4.945 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -4.136 -3.969 3.477 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -5.938 -3.423 5.001 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -5.859 -5.173 4.928 1.00 0.00 H new ATOM 0 HE ARG A 23 -4.451 -3.704 7.143 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -7.595 -4.665 6.693 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -7.624 -5.926 7.931 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -4.159 -5.905 8.388 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -5.697 -6.622 8.881 1.00 0.00 H new ATOM 361 N SER A 24 -4.326 -7.095 2.516 1.00 0.00 N ATOM 362 CA SER A 24 -5.338 -7.467 1.530 1.00 0.00 C ATOM 363 C SER A 24 -6.726 -7.062 2.015 1.00 0.00 C ATOM 364 O SER A 24 -7.238 -7.599 2.997 1.00 0.00 O ATOM 365 CB SER A 24 -5.316 -8.976 1.286 1.00 0.00 C ATOM 366 OG SER A 24 -6.386 -9.327 0.417 1.00 0.00 O ATOM 0 H SER A 24 -4.344 -7.645 3.375 1.00 0.00 H new ATOM 0 HA SER A 24 -5.111 -6.946 0.600 1.00 0.00 H new ATOM 0 HB2 SER A 24 -4.363 -9.271 0.846 1.00 0.00 H new ATOM 0 HB3 SER A 24 -5.410 -9.510 2.231 1.00 0.00 H new ATOM 0 HG SER A 24 -6.374 -10.294 0.257 1.00 0.00 H new ATOM 372 N GLU A 25 -7.329 -6.105 1.314 1.00 0.00 N ATOM 373 CA GLU A 25 -8.660 -5.630 1.680 1.00 0.00 C ATOM 374 C GLU A 25 -9.519 -5.440 0.435 1.00 0.00 C ATOM 375 O GLU A 25 -9.037 -5.002 -0.609 1.00 0.00 O ATOM 376 CB GLU A 25 -8.567 -4.299 2.429 1.00 0.00 C ATOM 377 CG GLU A 25 -8.428 -4.564 3.929 1.00 0.00 C ATOM 378 CD GLU A 25 -9.798 -4.883 4.519 1.00 0.00 C ATOM 379 OE1 GLU A 25 -10.562 -5.566 3.858 1.00 0.00 O ATOM 380 OE2 GLU A 25 -10.062 -4.439 5.624 1.00 0.00 O ATOM 0 H GLU A 25 -6.922 -5.648 0.498 1.00 0.00 H new ATOM 0 HA GLU A 25 -9.118 -6.379 2.327 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.712 -3.727 2.070 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -9.456 -3.699 2.236 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.744 -5.395 4.100 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.001 -3.692 4.425 1.00 0.00 H new ATOM 387 N VAL A 26 -10.801 -5.775 0.558 1.00 0.00 N ATOM 388 CA VAL A 26 -11.725 -5.637 -0.565 1.00 0.00 C ATOM 389 C VAL A 26 -12.292 -4.221 -0.611 1.00 0.00 C ATOM 390 O VAL A 26 -13.396 -3.961 -0.130 1.00 0.00 O ATOM 391 CB VAL A 26 -12.879 -6.636 -0.437 1.00 0.00 C ATOM 392 CG1 VAL A 26 -13.724 -6.608 -1.712 1.00 0.00 C ATOM 393 CG2 VAL A 26 -12.314 -8.044 -0.236 1.00 0.00 C ATOM 0 H VAL A 26 -11.220 -6.140 1.413 1.00 0.00 H new ATOM 0 HA VAL A 26 -11.175 -5.840 -1.484 1.00 0.00 H new ATOM 0 HB VAL A 26 -13.499 -6.365 0.417 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -14.545 -7.319 -1.620 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -14.127 -5.606 -1.860 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -13.103 -6.879 -2.566 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -13.135 -8.756 -0.145 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -11.694 -8.313 -1.091 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -11.711 -8.068 0.671 1.00 0.00 H new ATOM 403 N VAL A 27 -11.523 -3.308 -1.196 1.00 0.00 N ATOM 404 CA VAL A 27 -11.953 -1.916 -1.303 1.00 0.00 C ATOM 405 C VAL A 27 -12.164 -1.535 -2.766 1.00 0.00 C ATOM 406 O VAL A 27 -11.458 -2.013 -3.654 1.00 0.00 O ATOM 407 CB VAL A 27 -10.907 -0.984 -0.690 1.00 0.00 C ATOM 408 CG1 VAL A 27 -10.813 -1.240 0.815 1.00 0.00 C ATOM 409 CG2 VAL A 27 -9.545 -1.250 -1.336 1.00 0.00 C ATOM 0 H VAL A 27 -10.607 -3.503 -1.600 1.00 0.00 H new ATOM 0 HA VAL A 27 -12.893 -1.811 -0.761 1.00 0.00 H new ATOM 0 HB VAL A 27 -11.198 0.052 -0.866 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -10.067 -0.575 1.251 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -11.782 -1.051 1.277 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -10.523 -2.276 0.990 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -8.799 -0.586 -0.899 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -9.255 -2.286 -1.161 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -9.609 -1.068 -2.409 1.00 0.00 H new ATOM 419 N THR A 28 -13.142 -0.666 -3.005 1.00 0.00 N ATOM 420 CA THR A 28 -13.437 -0.224 -4.366 1.00 0.00 C ATOM 421 C THR A 28 -13.062 1.254 -4.539 1.00 0.00 C ATOM 422 O THR A 28 -13.254 2.053 -3.623 1.00 0.00 O ATOM 423 CB THR A 28 -14.925 -0.402 -4.680 1.00 0.00 C ATOM 424 OG1 THR A 28 -15.216 0.193 -5.936 1.00 0.00 O ATOM 425 CG2 THR A 28 -15.767 0.265 -3.590 1.00 0.00 C ATOM 0 H THR A 28 -13.738 -0.258 -2.285 1.00 0.00 H new ATOM 0 HA THR A 28 -12.849 -0.833 -5.053 1.00 0.00 H new ATOM 0 HB THR A 28 -15.162 -1.465 -4.716 1.00 0.00 H new ATOM 0 HG1 THR A 28 -16.168 0.079 -6.140 1.00 0.00 H new ATOM 0 HG21 THR A 28 -16.825 0.136 -3.818 1.00 0.00 H new ATOM 0 HG22 THR A 28 -15.544 -0.194 -2.627 1.00 0.00 H new ATOM 0 HG23 THR A 28 -15.532 1.329 -3.548 1.00 0.00 H new ATOM 433 N PRO A 29 -12.519 1.645 -5.708 1.00 0.00 N ATOM 434 CA PRO A 29 -12.261 0.735 -6.849 1.00 0.00 C ATOM 435 C PRO A 29 -10.983 -0.080 -6.667 1.00 0.00 C ATOM 436 O PRO A 29 -9.931 0.455 -6.321 1.00 0.00 O ATOM 437 CB PRO A 29 -12.126 1.705 -8.015 1.00 0.00 C ATOM 438 CG PRO A 29 -11.724 3.053 -7.429 1.00 0.00 C ATOM 439 CD PRO A 29 -12.125 3.047 -5.950 1.00 0.00 C ATOM 0 HA PRO A 29 -13.044 -0.012 -6.978 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -11.376 1.354 -8.724 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -13.067 1.786 -8.560 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -10.651 3.213 -7.535 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -12.222 3.866 -7.958 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -11.297 3.348 -5.308 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -12.947 3.735 -5.754 1.00 0.00 H new ATOM 447 N VAL A 30 -11.092 -1.386 -6.901 1.00 0.00 N ATOM 448 CA VAL A 30 -9.948 -2.279 -6.758 1.00 0.00 C ATOM 449 C VAL A 30 -8.812 -1.860 -7.687 1.00 0.00 C ATOM 450 O VAL A 30 -8.912 -1.978 -8.909 1.00 0.00 O ATOM 451 CB VAL A 30 -10.360 -3.715 -7.083 1.00 0.00 C ATOM 452 CG1 VAL A 30 -11.395 -4.193 -6.062 1.00 0.00 C ATOM 453 CG2 VAL A 30 -10.967 -3.771 -8.490 1.00 0.00 C ATOM 0 H VAL A 30 -11.956 -1.846 -7.189 1.00 0.00 H new ATOM 0 HA VAL A 30 -9.601 -2.220 -5.726 1.00 0.00 H new ATOM 0 HB VAL A 30 -9.483 -4.360 -7.042 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -11.689 -5.217 -6.294 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -10.963 -4.157 -5.062 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -12.271 -3.546 -6.102 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -11.260 -4.796 -8.719 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -11.843 -3.125 -8.534 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -10.230 -3.433 -9.218 1.00 0.00 H new ATOM 463 N GLY A 31 -7.728 -1.371 -7.091 1.00 0.00 N ATOM 464 CA GLY A 31 -6.572 -0.937 -7.871 1.00 0.00 C ATOM 465 C GLY A 31 -5.610 -2.099 -8.095 1.00 0.00 C ATOM 466 O GLY A 31 -5.765 -2.880 -9.033 1.00 0.00 O ATOM 0 H GLY A 31 -7.625 -1.266 -6.082 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -6.902 -0.541 -8.831 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -6.059 -0.128 -7.352 1.00 0.00 H new ATOM 470 N ILE A 32 -4.617 -2.206 -7.217 1.00 0.00 N ATOM 471 CA ILE A 32 -3.633 -3.279 -7.320 1.00 0.00 C ATOM 472 C ILE A 32 -4.108 -4.502 -6.523 1.00 0.00 C ATOM 473 O ILE A 32 -4.657 -4.352 -5.432 1.00 0.00 O ATOM 474 CB ILE A 32 -2.280 -2.816 -6.772 1.00 0.00 C ATOM 475 CG1 ILE A 32 -1.867 -1.517 -7.469 1.00 0.00 C ATOM 476 CG2 ILE A 32 -1.221 -3.889 -7.031 1.00 0.00 C ATOM 477 CD1 ILE A 32 -0.601 -0.963 -6.811 1.00 0.00 C ATOM 0 H ILE A 32 -4.473 -1.569 -6.433 1.00 0.00 H new ATOM 0 HA ILE A 32 -3.522 -3.546 -8.371 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.366 -2.646 -5.699 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.688 -1.702 -8.528 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.673 -0.786 -7.405 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.261 -3.554 -6.639 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.512 -4.815 -6.535 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -1.134 -4.063 -8.103 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.308 -0.038 -7.308 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.796 -0.763 -5.757 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.204 -1.693 -6.898 1.00 0.00 H new ATOM 489 N PRO A 33 -3.916 -5.728 -7.046 1.00 0.00 N ATOM 490 CA PRO A 33 -4.351 -6.947 -6.341 1.00 0.00 C ATOM 491 C PRO A 33 -3.356 -7.407 -5.278 1.00 0.00 C ATOM 492 O PRO A 33 -2.217 -6.939 -5.225 1.00 0.00 O ATOM 493 CB PRO A 33 -4.441 -7.963 -7.472 1.00 0.00 C ATOM 494 CG PRO A 33 -3.521 -7.477 -8.587 1.00 0.00 C ATOM 495 CD PRO A 33 -3.263 -5.985 -8.353 1.00 0.00 C ATOM 0 HA PRO A 33 -5.281 -6.799 -5.791 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -4.138 -8.951 -7.127 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -5.467 -8.051 -7.830 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -2.584 -8.034 -8.581 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -3.981 -7.638 -9.562 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -2.197 -5.761 -8.321 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -3.694 -5.373 -9.145 1.00 0.00 H new ATOM 503 N ALA A 34 -3.803 -8.330 -4.431 1.00 0.00 N ATOM 504 CA ALA A 34 -2.953 -8.856 -3.364 1.00 0.00 C ATOM 505 C ALA A 34 -1.799 -9.675 -3.942 1.00 0.00 C ATOM 506 O ALA A 34 -0.742 -9.803 -3.325 1.00 0.00 O ATOM 507 CB ALA A 34 -3.769 -9.744 -2.423 1.00 0.00 C ATOM 0 H ALA A 34 -4.742 -8.728 -4.461 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.549 -8.008 -2.811 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.123 -10.128 -1.634 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.575 -9.160 -1.979 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -4.191 -10.578 -2.984 1.00 0.00 H new ATOM 513 N GLU A 35 -2.011 -10.234 -5.129 1.00 0.00 N ATOM 514 CA GLU A 35 -0.977 -11.042 -5.771 1.00 0.00 C ATOM 515 C GLU A 35 0.287 -10.219 -6.043 1.00 0.00 C ATOM 516 O GLU A 35 1.359 -10.778 -6.272 1.00 0.00 O ATOM 517 CB GLU A 35 -1.492 -11.615 -7.095 1.00 0.00 C ATOM 518 CG GLU A 35 -1.954 -10.476 -8.008 1.00 0.00 C ATOM 519 CD GLU A 35 -3.140 -10.941 -8.845 1.00 0.00 C ATOM 520 OE1 GLU A 35 -3.158 -12.103 -9.219 1.00 0.00 O ATOM 521 OE2 GLU A 35 -4.015 -10.130 -9.100 1.00 0.00 O ATOM 0 H GLU A 35 -2.877 -10.145 -5.661 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.728 -11.854 -5.088 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.705 -12.189 -7.584 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -2.318 -12.301 -6.908 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.235 -9.609 -7.411 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.137 -10.164 -8.658 1.00 0.00 H new ATOM 528 N ASP A 36 0.158 -8.891 -6.027 1.00 0.00 N ATOM 529 CA ASP A 36 1.311 -8.029 -6.287 1.00 0.00 C ATOM 530 C ASP A 36 1.749 -7.288 -5.025 1.00 0.00 C ATOM 531 O ASP A 36 2.201 -6.144 -5.085 1.00 0.00 O ATOM 532 CB ASP A 36 0.977 -7.008 -7.377 1.00 0.00 C ATOM 533 CG ASP A 36 1.032 -7.685 -8.742 1.00 0.00 C ATOM 534 OD1 ASP A 36 0.013 -8.206 -9.164 1.00 0.00 O ATOM 535 OD2 ASP A 36 2.092 -7.672 -9.346 1.00 0.00 O ATOM 0 H ASP A 36 -0.715 -8.397 -5.841 1.00 0.00 H new ATOM 0 HA ASP A 36 2.129 -8.669 -6.618 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -0.015 -6.590 -7.207 1.00 0.00 H new ATOM 0 HB3 ASP A 36 1.683 -6.179 -7.342 1.00 0.00 H new ATOM 540 N ILE A 37 1.634 -7.959 -3.885 1.00 0.00 N ATOM 541 CA ILE A 37 2.043 -7.362 -2.616 1.00 0.00 C ATOM 542 C ILE A 37 3.574 -7.449 -2.443 1.00 0.00 C ATOM 543 O ILE A 37 4.205 -6.456 -2.082 1.00 0.00 O ATOM 544 CB ILE A 37 1.325 -8.049 -1.439 1.00 0.00 C ATOM 545 CG1 ILE A 37 -0.172 -7.748 -1.522 1.00 0.00 C ATOM 546 CG2 ILE A 37 1.856 -7.525 -0.096 1.00 0.00 C ATOM 547 CD1 ILE A 37 -0.954 -8.827 -0.771 1.00 0.00 C ATOM 0 H ILE A 37 1.265 -8.907 -3.811 1.00 0.00 H new ATOM 0 HA ILE A 37 1.759 -6.310 -2.625 1.00 0.00 H new ATOM 0 HB ILE A 37 1.507 -9.122 -1.500 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.381 -6.768 -1.093 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.489 -7.714 -2.564 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.335 -8.024 0.721 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.924 -7.728 -0.023 1.00 0.00 H new ATOM 0 HG23 ILE A 37 1.686 -6.450 -0.032 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -2.021 -8.611 -0.831 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -0.755 -9.800 -1.220 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.645 -8.840 0.274 1.00 0.00 H new ATOM 559 N PRO A 38 4.202 -8.617 -2.696 1.00 0.00 N ATOM 560 CA PRO A 38 5.666 -8.745 -2.546 1.00 0.00 C ATOM 561 C PRO A 38 6.446 -8.122 -3.709 1.00 0.00 C ATOM 562 O PRO A 38 7.663 -7.960 -3.636 1.00 0.00 O ATOM 563 CB PRO A 38 5.866 -10.254 -2.505 1.00 0.00 C ATOM 564 CG PRO A 38 4.666 -10.880 -3.200 1.00 0.00 C ATOM 565 CD PRO A 38 3.526 -9.860 -3.141 1.00 0.00 C ATOM 0 HA PRO A 38 6.036 -8.219 -1.666 1.00 0.00 H new ATOM 0 HB2 PRO A 38 6.792 -10.534 -3.007 1.00 0.00 H new ATOM 0 HB3 PRO A 38 5.942 -10.605 -1.476 1.00 0.00 H new ATOM 0 HG2 PRO A 38 4.907 -11.129 -4.234 1.00 0.00 H new ATOM 0 HG3 PRO A 38 4.377 -11.809 -2.708 1.00 0.00 H new ATOM 0 HD2 PRO A 38 3.050 -9.733 -4.113 1.00 0.00 H new ATOM 0 HD3 PRO A 38 2.748 -10.167 -2.442 1.00 0.00 H new ATOM 573 N ARG A 39 5.734 -7.769 -4.780 1.00 0.00 N ATOM 574 CA ARG A 39 6.379 -7.162 -5.941 1.00 0.00 C ATOM 575 C ARG A 39 6.506 -5.650 -5.754 1.00 0.00 C ATOM 576 O ARG A 39 7.406 -5.017 -6.307 1.00 0.00 O ATOM 577 CB ARG A 39 5.570 -7.438 -7.210 1.00 0.00 C ATOM 578 CG ARG A 39 5.592 -8.938 -7.512 1.00 0.00 C ATOM 579 CD ARG A 39 5.343 -9.161 -9.005 1.00 0.00 C ATOM 580 NE ARG A 39 6.413 -8.563 -9.800 1.00 0.00 N ATOM 581 CZ ARG A 39 7.639 -9.079 -9.796 1.00 0.00 C ATOM 582 NH1 ARG A 39 7.849 -10.268 -10.292 1.00 0.00 N ATOM 583 NH2 ARG A 39 8.632 -8.395 -9.297 1.00 0.00 N ATOM 0 H ARG A 39 4.725 -7.891 -4.866 1.00 0.00 H new ATOM 0 HA ARG A 39 7.372 -7.602 -6.039 1.00 0.00 H new ATOM 0 HB2 ARG A 39 4.543 -7.097 -7.081 1.00 0.00 H new ATOM 0 HB3 ARG A 39 5.988 -6.881 -8.049 1.00 0.00 H new ATOM 0 HG2 ARG A 39 6.554 -9.364 -7.225 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.829 -9.449 -6.925 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.281 -10.229 -9.213 1.00 0.00 H new ATOM 0 HD3 ARG A 39 4.385 -8.725 -9.288 1.00 0.00 H new ATOM 0 HE ARG A 39 6.217 -7.738 -10.366 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.073 -10.802 -10.683 1.00 0.00 H new ATOM 0 HH12 ARG A 39 8.789 -10.663 -10.289 1.00 0.00 H new ATOM 0 HH21 ARG A 39 8.468 -7.465 -8.910 1.00 0.00 H new ATOM 0 HH22 ARG A 39 9.572 -8.790 -9.293 1.00 0.00 H new ATOM 597 N LEU A 40 5.594 -5.077 -4.969 1.00 0.00 N ATOM 598 CA LEU A 40 5.612 -3.639 -4.717 1.00 0.00 C ATOM 599 C LEU A 40 6.378 -3.325 -3.431 1.00 0.00 C ATOM 600 O LEU A 40 5.923 -2.549 -2.588 1.00 0.00 O ATOM 601 CB LEU A 40 4.182 -3.103 -4.596 1.00 0.00 C ATOM 602 CG LEU A 40 3.607 -2.856 -5.993 1.00 0.00 C ATOM 603 CD1 LEU A 40 2.109 -3.168 -5.991 1.00 0.00 C ATOM 604 CD2 LEU A 40 3.820 -1.391 -6.380 1.00 0.00 C ATOM 0 H LEU A 40 4.841 -5.582 -4.501 1.00 0.00 H new ATOM 0 HA LEU A 40 6.112 -3.156 -5.557 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.560 -3.817 -4.056 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.177 -2.177 -4.021 1.00 0.00 H new ATOM 0 HG LEU A 40 4.112 -3.500 -6.712 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.699 -2.992 -6.986 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.955 -4.211 -5.714 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.604 -2.523 -5.272 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.411 -1.214 -7.375 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.315 -0.747 -5.660 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.887 -1.166 -6.381 1.00 0.00 H new ATOM 616 N VAL A 41 7.551 -3.936 -3.289 1.00 0.00 N ATOM 617 CA VAL A 41 8.374 -3.714 -2.102 1.00 0.00 C ATOM 618 C VAL A 41 9.324 -2.542 -2.328 1.00 0.00 C ATOM 619 O VAL A 41 9.976 -2.441 -3.368 1.00 0.00 O ATOM 620 CB VAL A 41 9.191 -4.968 -1.771 1.00 0.00 C ATOM 621 CG1 VAL A 41 9.931 -4.768 -0.445 1.00 0.00 C ATOM 622 CG2 VAL A 41 8.252 -6.171 -1.645 1.00 0.00 C ATOM 0 H VAL A 41 7.950 -4.581 -3.971 1.00 0.00 H new ATOM 0 HA VAL A 41 7.710 -3.488 -1.268 1.00 0.00 H new ATOM 0 HB VAL A 41 9.913 -5.146 -2.568 1.00 0.00 H new ATOM 0 HG11 VAL A 41 10.511 -5.662 -0.213 1.00 0.00 H new ATOM 0 HG12 VAL A 41 10.601 -3.912 -0.528 1.00 0.00 H new ATOM 0 HG13 VAL A 41 9.209 -4.588 0.351 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.833 -7.063 -1.410 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.530 -5.987 -0.849 1.00 0.00 H new ATOM 0 HG23 VAL A 41 7.724 -6.320 -2.587 1.00 0.00 H new ATOM 632 N SER A 42 9.396 -1.656 -1.336 1.00 0.00 N ATOM 633 CA SER A 42 10.272 -0.490 -1.425 1.00 0.00 C ATOM 634 C SER A 42 9.878 0.391 -2.610 1.00 0.00 C ATOM 635 O SER A 42 10.731 0.951 -3.301 1.00 0.00 O ATOM 636 CB SER A 42 11.730 -0.924 -1.586 1.00 0.00 C ATOM 637 OG SER A 42 12.295 -1.154 -0.302 1.00 0.00 O ATOM 0 H SER A 42 8.863 -1.722 -0.469 1.00 0.00 H new ATOM 0 HA SER A 42 10.164 0.079 -0.502 1.00 0.00 H new ATOM 0 HB2 SER A 42 11.787 -1.830 -2.189 1.00 0.00 H new ATOM 0 HB3 SER A 42 12.295 -0.154 -2.112 1.00 0.00 H new ATOM 0 HG SER A 42 13.229 -1.434 -0.401 1.00 0.00 H new ATOM 643 N MET A 43 8.572 0.510 -2.836 1.00 0.00 N ATOM 644 CA MET A 43 8.072 1.327 -3.937 1.00 0.00 C ATOM 645 C MET A 43 7.720 2.726 -3.443 1.00 0.00 C ATOM 646 O MET A 43 7.129 2.892 -2.375 1.00 0.00 O ATOM 647 CB MET A 43 6.828 0.690 -4.559 1.00 0.00 C ATOM 648 CG MET A 43 7.202 -0.652 -5.192 1.00 0.00 C ATOM 649 SD MET A 43 8.277 -0.369 -6.620 1.00 0.00 S ATOM 650 CE MET A 43 6.969 -0.179 -7.855 1.00 0.00 C ATOM 0 H MET A 43 7.848 0.057 -2.278 1.00 0.00 H new ATOM 0 HA MET A 43 8.858 1.393 -4.690 1.00 0.00 H new ATOM 0 HB2 MET A 43 6.062 0.544 -3.797 1.00 0.00 H new ATOM 0 HB3 MET A 43 6.405 1.354 -5.313 1.00 0.00 H new ATOM 0 HG2 MET A 43 7.709 -1.282 -4.461 1.00 0.00 H new ATOM 0 HG3 MET A 43 6.302 -1.184 -5.501 1.00 0.00 H new ATOM 0 HE1 MET A 43 7.301 0.507 -8.634 1.00 0.00 H new ATOM 0 HE2 MET A 43 6.743 -1.149 -8.298 1.00 0.00 H new ATOM 0 HE3 MET A 43 6.074 0.220 -7.378 1.00 0.00 H new ATOM 660 N GLN A 44 8.091 3.731 -4.230 1.00 0.00 N ATOM 661 CA GLN A 44 7.812 5.117 -3.863 1.00 0.00 C ATOM 662 C GLN A 44 6.519 5.592 -4.515 1.00 0.00 C ATOM 663 O GLN A 44 6.198 5.214 -5.643 1.00 0.00 O ATOM 664 CB GLN A 44 8.957 6.029 -4.307 1.00 0.00 C ATOM 665 CG GLN A 44 10.277 5.511 -3.732 1.00 0.00 C ATOM 666 CD GLN A 44 11.275 6.659 -3.631 1.00 0.00 C ATOM 667 OE1 GLN A 44 11.397 7.293 -2.583 1.00 0.00 O ATOM 668 NE2 GLN A 44 12.002 6.969 -4.669 1.00 0.00 N ATOM 0 H GLN A 44 8.581 3.615 -5.117 1.00 0.00 H new ATOM 0 HA GLN A 44 7.710 5.163 -2.779 1.00 0.00 H new ATOM 0 HB2 GLN A 44 9.010 6.060 -5.395 1.00 0.00 H new ATOM 0 HB3 GLN A 44 8.776 7.049 -3.967 1.00 0.00 H new ATOM 0 HG2 GLN A 44 10.110 5.073 -2.748 1.00 0.00 H new ATOM 0 HG3 GLN A 44 10.678 4.722 -4.368 1.00 0.00 H new ATOM 0 HE21 GLN A 44 11.901 6.444 -5.538 1.00 0.00 H new ATOM 0 HE22 GLN A 44 12.671 7.737 -4.612 1.00 0.00 H new ATOM 677 N VAL A 45 5.779 6.428 -3.793 1.00 0.00 N ATOM 678 CA VAL A 45 4.518 6.956 -4.308 1.00 0.00 C ATOM 679 C VAL A 45 4.686 8.413 -4.730 1.00 0.00 C ATOM 680 O VAL A 45 5.651 9.076 -4.350 1.00 0.00 O ATOM 681 CB VAL A 45 3.424 6.867 -3.243 1.00 0.00 C ATOM 682 CG1 VAL A 45 3.115 5.398 -2.950 1.00 0.00 C ATOM 683 CG2 VAL A 45 3.903 7.552 -1.962 1.00 0.00 C ATOM 0 H VAL A 45 6.027 6.753 -2.858 1.00 0.00 H new ATOM 0 HA VAL A 45 4.229 6.357 -5.172 1.00 0.00 H new ATOM 0 HB VAL A 45 2.523 7.362 -3.606 1.00 0.00 H new ATOM 0 HG11 VAL A 45 2.335 5.335 -2.191 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.774 4.909 -3.862 1.00 0.00 H new ATOM 0 HG13 VAL A 45 4.015 4.902 -2.588 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.124 7.489 -1.202 1.00 0.00 H new ATOM 0 HG22 VAL A 45 4.804 7.057 -1.600 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.123 8.599 -2.170 1.00 0.00 H new ATOM 693 N ASN A 46 3.736 8.902 -5.522 1.00 0.00 N ATOM 694 CA ASN A 46 3.790 10.283 -5.992 1.00 0.00 C ATOM 695 C ASN A 46 3.147 11.224 -4.975 1.00 0.00 C ATOM 696 O ASN A 46 3.569 12.369 -4.814 1.00 0.00 O ATOM 697 CB ASN A 46 3.072 10.426 -7.340 1.00 0.00 C ATOM 698 CG ASN A 46 1.620 9.973 -7.207 1.00 0.00 C ATOM 699 OD1 ASN A 46 1.331 8.776 -7.226 1.00 0.00 O ATOM 700 ND2 ASN A 46 0.680 10.868 -7.076 1.00 0.00 N ATOM 0 H ASN A 46 2.929 8.371 -5.849 1.00 0.00 H new ATOM 0 HA ASN A 46 4.839 10.551 -6.116 1.00 0.00 H new ATOM 0 HB2 ASN A 46 3.109 11.463 -7.673 1.00 0.00 H new ATOM 0 HB3 ASN A 46 3.580 9.829 -8.097 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -0.294 10.576 -6.989 1.00 0.00 H new ATOM 0 HD22 ASN A 46 0.919 11.860 -7.060 1.00 0.00 H new ATOM 707 N ARG A 47 2.119 10.728 -4.293 1.00 0.00 N ATOM 708 CA ARG A 47 1.421 11.533 -3.294 1.00 0.00 C ATOM 709 C ARG A 47 1.354 10.791 -1.962 1.00 0.00 C ATOM 710 O ARG A 47 1.882 9.688 -1.821 1.00 0.00 O ATOM 711 CB ARG A 47 -0.002 11.853 -3.760 1.00 0.00 C ATOM 712 CG ARG A 47 -0.739 10.553 -4.088 1.00 0.00 C ATOM 713 CD ARG A 47 -2.243 10.818 -4.139 1.00 0.00 C ATOM 714 NE ARG A 47 -2.650 11.224 -5.481 1.00 0.00 N ATOM 715 CZ ARG A 47 -3.899 11.604 -5.734 1.00 0.00 C ATOM 716 NH1 ARG A 47 -4.247 12.852 -5.579 1.00 0.00 N ATOM 717 NH2 ARG A 47 -4.780 10.726 -6.136 1.00 0.00 N ATOM 0 H ARG A 47 1.753 9.783 -4.411 1.00 0.00 H new ATOM 0 HA ARG A 47 1.976 12.462 -3.164 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -0.536 12.399 -2.982 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.028 12.497 -4.639 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.396 10.160 -5.045 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.518 9.797 -3.335 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -2.786 9.920 -3.845 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -2.505 11.597 -3.423 1.00 0.00 H new ATOM 0 HE ARG A 47 -1.965 11.216 -6.237 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -3.561 13.537 -5.263 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -5.205 13.142 -5.773 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -4.509 9.750 -6.255 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -5.738 11.017 -6.330 1.00 0.00 H new ATOM 731 N ALA A 48 0.697 11.411 -0.986 1.00 0.00 N ATOM 732 CA ALA A 48 0.562 10.804 0.335 1.00 0.00 C ATOM 733 C ALA A 48 -0.512 9.721 0.315 1.00 0.00 C ATOM 734 O ALA A 48 -1.668 9.978 -0.023 1.00 0.00 O ATOM 735 CB ALA A 48 0.185 11.861 1.375 1.00 0.00 C ATOM 0 H ALA A 48 0.254 12.324 -1.083 1.00 0.00 H new ATOM 0 HA ALA A 48 1.521 10.361 0.601 1.00 0.00 H new ATOM 0 HB1 ALA A 48 0.089 11.391 2.354 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.961 12.625 1.415 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -0.764 12.321 1.099 1.00 0.00 H new ATOM 741 N VAL A 49 -0.115 8.505 0.679 1.00 0.00 N ATOM 742 CA VAL A 49 -1.051 7.383 0.701 1.00 0.00 C ATOM 743 C VAL A 49 -1.229 6.865 2.133 1.00 0.00 C ATOM 744 O VAL A 49 -0.486 5.988 2.573 1.00 0.00 O ATOM 745 CB VAL A 49 -0.540 6.241 -0.182 1.00 0.00 C ATOM 746 CG1 VAL A 49 -1.617 5.162 -0.299 1.00 0.00 C ATOM 747 CG2 VAL A 49 -0.210 6.781 -1.576 1.00 0.00 C ATOM 0 H VAL A 49 0.837 8.272 0.960 1.00 0.00 H new ATOM 0 HA VAL A 49 -2.009 7.736 0.319 1.00 0.00 H new ATOM 0 HB VAL A 49 0.357 5.813 0.266 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.252 4.350 -0.928 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.854 4.775 0.692 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.514 5.591 -0.745 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.154 5.968 -2.204 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.107 7.211 -2.022 1.00 0.00 H new ATOM 0 HG23 VAL A 49 0.559 7.549 -1.496 1.00 0.00 H new ATOM 757 N PRO A 50 -2.212 7.395 2.883 1.00 0.00 N ATOM 758 CA PRO A 50 -2.452 6.956 4.270 1.00 0.00 C ATOM 759 C PRO A 50 -3.248 5.654 4.346 1.00 0.00 C ATOM 760 O PRO A 50 -3.510 5.009 3.331 1.00 0.00 O ATOM 761 CB PRO A 50 -3.253 8.115 4.847 1.00 0.00 C ATOM 762 CG PRO A 50 -3.917 8.827 3.674 1.00 0.00 C ATOM 763 CD PRO A 50 -3.139 8.450 2.409 1.00 0.00 C ATOM 0 HA PRO A 50 -1.527 6.740 4.805 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -4.001 7.753 5.552 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -2.603 8.798 5.395 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -4.962 8.528 3.585 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -3.906 9.907 3.824 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -3.800 8.082 1.624 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -2.601 9.304 1.998 1.00 0.00 H new ATOM 771 N LEU A 51 -3.628 5.277 5.563 1.00 0.00 N ATOM 772 CA LEU A 51 -4.392 4.051 5.768 1.00 0.00 C ATOM 773 C LEU A 51 -5.774 4.169 5.131 1.00 0.00 C ATOM 774 O LEU A 51 -6.317 5.264 4.991 1.00 0.00 O ATOM 775 CB LEU A 51 -4.556 3.764 7.262 1.00 0.00 C ATOM 776 CG LEU A 51 -3.197 3.408 7.865 1.00 0.00 C ATOM 777 CD1 LEU A 51 -2.540 4.669 8.428 1.00 0.00 C ATOM 778 CD2 LEU A 51 -3.391 2.390 8.992 1.00 0.00 C ATOM 0 H LEU A 51 -3.422 5.798 6.416 1.00 0.00 H new ATOM 0 HA LEU A 51 -3.844 3.233 5.299 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.973 4.635 7.767 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.258 2.943 7.411 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.559 2.980 7.092 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.571 4.414 8.858 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.402 5.396 7.627 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.178 5.098 9.201 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.423 2.135 9.423 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.030 2.819 9.764 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.859 1.490 8.593 1.00 0.00 H new ATOM 790 N GLY A 52 -6.334 3.026 4.748 1.00 0.00 N ATOM 791 CA GLY A 52 -7.655 3.005 4.126 1.00 0.00 C ATOM 792 C GLY A 52 -7.618 3.660 2.750 1.00 0.00 C ATOM 793 O GLY A 52 -8.542 4.374 2.360 1.00 0.00 O ATOM 0 H GLY A 52 -5.899 2.110 4.856 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -8.002 1.976 4.034 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.370 3.527 4.763 1.00 0.00 H new ATOM 797 N THR A 53 -6.536 3.408 2.018 1.00 0.00 N ATOM 798 CA THR A 53 -6.384 3.978 0.682 1.00 0.00 C ATOM 799 C THR A 53 -5.991 2.892 -0.315 1.00 0.00 C ATOM 800 O THR A 53 -4.938 2.268 -0.194 1.00 0.00 O ATOM 801 CB THR A 53 -5.311 5.069 0.683 1.00 0.00 C ATOM 802 OG1 THR A 53 -5.595 6.008 1.711 1.00 0.00 O ATOM 803 CG2 THR A 53 -5.299 5.782 -0.671 1.00 0.00 C ATOM 0 H THR A 53 -5.760 2.820 2.322 1.00 0.00 H new ATOM 0 HA THR A 53 -7.340 4.413 0.389 1.00 0.00 H new ATOM 0 HB THR A 53 -4.335 4.617 0.860 1.00 0.00 H new ATOM 0 HG1 THR A 53 -4.973 5.875 2.456 1.00 0.00 H new ATOM 0 HG21 THR A 53 -4.534 6.558 -0.667 1.00 0.00 H new ATOM 0 HG22 THR A 53 -5.081 5.062 -1.460 1.00 0.00 H new ATOM 0 HG23 THR A 53 -6.274 6.235 -0.853 1.00 0.00 H new ATOM 811 N THR A 54 -6.854 2.674 -1.303 1.00 0.00 N ATOM 812 CA THR A 54 -6.593 1.660 -2.321 1.00 0.00 C ATOM 813 C THR A 54 -5.324 1.998 -3.098 1.00 0.00 C ATOM 814 O THR A 54 -5.297 2.939 -3.891 1.00 0.00 O ATOM 815 CB THR A 54 -7.766 1.566 -3.299 1.00 0.00 C ATOM 816 OG1 THR A 54 -8.987 1.696 -2.584 1.00 0.00 O ATOM 817 CG2 THR A 54 -7.733 0.215 -4.014 1.00 0.00 C ATOM 0 H THR A 54 -7.732 3.180 -1.421 1.00 0.00 H new ATOM 0 HA THR A 54 -6.466 0.703 -1.815 1.00 0.00 H new ATOM 0 HB THR A 54 -7.688 2.365 -4.037 1.00 0.00 H new ATOM 0 HG1 THR A 54 -9.740 1.638 -3.209 1.00 0.00 H new ATOM 0 HG21 THR A 54 -8.570 0.151 -4.710 1.00 0.00 H new ATOM 0 HG22 THR A 54 -6.796 0.117 -4.563 1.00 0.00 H new ATOM 0 HG23 THR A 54 -7.810 -0.587 -3.280 1.00 0.00 H new ATOM 825 N LEU A 55 -4.274 1.218 -2.860 1.00 0.00 N ATOM 826 CA LEU A 55 -3.001 1.439 -3.542 1.00 0.00 C ATOM 827 C LEU A 55 -3.173 1.273 -5.049 1.00 0.00 C ATOM 828 O LEU A 55 -3.472 0.184 -5.537 1.00 0.00 O ATOM 829 CB LEU A 55 -1.949 0.444 -3.049 1.00 0.00 C ATOM 830 CG LEU A 55 -0.568 0.870 -3.546 1.00 0.00 C ATOM 831 CD1 LEU A 55 -0.029 1.993 -2.658 1.00 0.00 C ATOM 832 CD2 LEU A 55 0.386 -0.327 -3.489 1.00 0.00 C ATOM 0 H LEU A 55 -4.277 0.434 -2.207 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.671 2.454 -3.321 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.957 0.400 -1.960 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.184 -0.557 -3.410 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.646 1.225 -4.573 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.956 2.296 -3.013 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.707 2.845 -2.697 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.049 1.638 -1.630 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.371 -0.024 -3.843 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.463 -0.682 -2.461 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.003 -1.128 -4.122 1.00 0.00 H new ATOM 844 N MET A 56 -2.980 2.368 -5.779 1.00 0.00 N ATOM 845 CA MET A 56 -3.118 2.335 -7.232 1.00 0.00 C ATOM 846 C MET A 56 -1.758 2.073 -7.891 1.00 0.00 C ATOM 847 O MET A 56 -0.722 2.456 -7.349 1.00 0.00 O ATOM 848 CB MET A 56 -3.674 3.664 -7.748 1.00 0.00 C ATOM 849 CG MET A 56 -5.197 3.666 -7.612 1.00 0.00 C ATOM 850 SD MET A 56 -5.906 4.856 -8.779 1.00 0.00 S ATOM 851 CE MET A 56 -7.519 4.058 -8.963 1.00 0.00 C ATOM 0 H MET A 56 -2.730 3.279 -5.394 1.00 0.00 H new ATOM 0 HA MET A 56 -3.808 1.531 -7.487 1.00 0.00 H new ATOM 0 HB2 MET A 56 -3.247 4.493 -7.184 1.00 0.00 H new ATOM 0 HB3 MET A 56 -3.391 3.809 -8.791 1.00 0.00 H new ATOM 0 HG2 MET A 56 -5.592 2.669 -7.808 1.00 0.00 H new ATOM 0 HG3 MET A 56 -5.481 3.927 -6.593 1.00 0.00 H new ATOM 0 HE1 MET A 56 -8.134 4.635 -9.654 1.00 0.00 H new ATOM 0 HE2 MET A 56 -7.383 3.049 -9.353 1.00 0.00 H new ATOM 0 HE3 MET A 56 -8.013 4.008 -7.993 1.00 0.00 H new ATOM 861 N PRO A 57 -1.739 1.422 -9.067 1.00 0.00 N ATOM 862 CA PRO A 57 -0.478 1.127 -9.772 1.00 0.00 C ATOM 863 C PRO A 57 0.043 2.321 -10.569 1.00 0.00 C ATOM 864 O PRO A 57 1.244 2.450 -10.808 1.00 0.00 O ATOM 865 CB PRO A 57 -0.883 -0.010 -10.701 1.00 0.00 C ATOM 866 CG PRO A 57 -2.388 0.100 -10.916 1.00 0.00 C ATOM 867 CD PRO A 57 -2.954 0.939 -9.766 1.00 0.00 C ATOM 0 HA PRO A 57 0.336 0.881 -9.090 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.352 0.061 -11.650 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.626 -0.975 -10.264 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.606 0.568 -11.876 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -2.847 -0.889 -10.932 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -3.563 1.766 -10.133 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -3.587 0.344 -9.108 1.00 0.00 H new ATOM 875 N ASP A 58 -0.874 3.193 -10.979 1.00 0.00 N ATOM 876 CA ASP A 58 -0.498 4.374 -11.750 1.00 0.00 C ATOM 877 C ASP A 58 0.185 5.403 -10.854 1.00 0.00 C ATOM 878 O ASP A 58 1.074 6.135 -11.289 1.00 0.00 O ATOM 879 CB ASP A 58 -1.733 5.013 -12.389 1.00 0.00 C ATOM 880 CG ASP A 58 -2.778 5.286 -11.313 1.00 0.00 C ATOM 881 OD1 ASP A 58 -2.632 6.273 -10.611 1.00 0.00 O ATOM 882 OD2 ASP A 58 -3.710 4.505 -11.208 1.00 0.00 O ATOM 0 H ASP A 58 -1.873 3.106 -10.793 1.00 0.00 H new ATOM 0 HA ASP A 58 0.193 4.057 -12.531 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.458 5.942 -12.888 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.145 4.352 -13.151 1.00 0.00 H new ATOM 887 N MET A 59 -0.242 5.447 -9.595 1.00 0.00 N ATOM 888 CA MET A 59 0.333 6.391 -8.638 1.00 0.00 C ATOM 889 C MET A 59 1.726 5.937 -8.210 1.00 0.00 C ATOM 890 O MET A 59 2.601 6.753 -7.925 1.00 0.00 O ATOM 891 CB MET A 59 -0.556 6.506 -7.400 1.00 0.00 C ATOM 892 CG MET A 59 -1.784 7.356 -7.728 1.00 0.00 C ATOM 893 SD MET A 59 -2.509 7.989 -6.195 1.00 0.00 S ATOM 894 CE MET A 59 -3.626 6.600 -5.883 1.00 0.00 C ATOM 0 H MET A 59 -0.975 4.848 -9.216 1.00 0.00 H new ATOM 0 HA MET A 59 0.403 7.363 -9.126 1.00 0.00 H new ATOM 0 HB2 MET A 59 -0.865 5.515 -7.069 1.00 0.00 H new ATOM 0 HB3 MET A 59 0.002 6.957 -6.579 1.00 0.00 H new ATOM 0 HG2 MET A 59 -1.503 8.184 -8.379 1.00 0.00 H new ATOM 0 HG3 MET A 59 -2.518 6.760 -8.270 1.00 0.00 H new ATOM 0 HE1 MET A 59 -4.365 6.888 -5.135 1.00 0.00 H new ATOM 0 HE2 MET A 59 -4.134 6.327 -6.808 1.00 0.00 H new ATOM 0 HE3 MET A 59 -3.053 5.747 -5.518 1.00 0.00 H new ATOM 904 N VAL A 60 1.921 4.622 -8.170 1.00 0.00 N ATOM 905 CA VAL A 60 3.212 4.066 -7.774 1.00 0.00 C ATOM 906 C VAL A 60 4.193 4.121 -8.944 1.00 0.00 C ATOM 907 O VAL A 60 4.128 3.308 -9.867 1.00 0.00 O ATOM 908 CB VAL A 60 3.054 2.612 -7.316 1.00 0.00 C ATOM 909 CG1 VAL A 60 4.384 2.099 -6.760 1.00 0.00 C ATOM 910 CG2 VAL A 60 1.987 2.536 -6.222 1.00 0.00 C ATOM 0 H VAL A 60 1.211 3.928 -8.404 1.00 0.00 H new ATOM 0 HA VAL A 60 3.599 4.662 -6.947 1.00 0.00 H new ATOM 0 HB VAL A 60 2.754 1.998 -8.165 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.268 1.065 -6.435 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.148 2.152 -7.536 1.00 0.00 H new ATOM 0 HG13 VAL A 60 4.685 2.714 -5.912 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.874 1.502 -5.895 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.289 3.153 -5.376 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.037 2.899 -6.614 1.00 0.00 H new ATOM 920 N LYS A 61 5.102 5.091 -8.893 1.00 0.00 N ATOM 921 CA LYS A 61 6.095 5.249 -9.951 1.00 0.00 C ATOM 922 C LYS A 61 7.086 4.090 -9.928 1.00 0.00 C ATOM 923 O LYS A 61 7.715 3.811 -8.907 1.00 0.00 O ATOM 924 CB LYS A 61 6.862 6.562 -9.774 1.00 0.00 C ATOM 925 CG LYS A 61 5.918 7.742 -10.017 1.00 0.00 C ATOM 926 CD LYS A 61 5.946 8.122 -11.499 1.00 0.00 C ATOM 927 CE LYS A 61 4.668 8.883 -11.855 1.00 0.00 C ATOM 928 NZ LYS A 61 4.875 9.632 -13.126 1.00 0.00 N ATOM 0 H LYS A 61 5.172 5.773 -8.138 1.00 0.00 H new ATOM 0 HA LYS A 61 5.570 5.261 -10.906 1.00 0.00 H new ATOM 0 HB2 LYS A 61 7.280 6.618 -8.769 1.00 0.00 H new ATOM 0 HB3 LYS A 61 7.699 6.603 -10.471 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.904 7.478 -9.718 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.219 8.594 -9.407 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.820 8.738 -11.711 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.031 7.226 -12.114 1.00 0.00 H new ATOM 0 HE2 LYS A 61 3.835 8.188 -11.961 1.00 0.00 H new ATOM 0 HE3 LYS A 61 4.407 9.573 -11.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 4.007 10.150 -13.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.658 10.306 -13.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 5.105 8.964 -13.889 1.00 0.00 H new ATOM 942 N GLY A 62 7.214 3.415 -11.066 1.00 0.00 N ATOM 943 CA GLY A 62 8.129 2.283 -11.170 1.00 0.00 C ATOM 944 C GLY A 62 7.356 0.974 -11.290 1.00 0.00 C ATOM 945 O GLY A 62 7.806 0.027 -11.933 1.00 0.00 O ATOM 0 H GLY A 62 6.701 3.629 -11.922 1.00 0.00 H new ATOM 0 HA2 GLY A 62 8.775 2.410 -12.038 1.00 0.00 H new ATOM 0 HA3 GLY A 62 8.776 2.250 -10.293 1.00 0.00 H new ATOM 949 N TYR A 63 6.185 0.934 -10.661 1.00 0.00 N ATOM 950 CA TYR A 63 5.349 -0.262 -10.701 1.00 0.00 C ATOM 951 C TYR A 63 4.913 -0.557 -12.134 1.00 0.00 C ATOM 952 O TYR A 63 5.322 -1.553 -12.729 1.00 0.00 O ATOM 953 CB TYR A 63 4.110 -0.076 -9.819 1.00 0.00 C ATOM 954 CG TYR A 63 3.362 -1.383 -9.713 1.00 0.00 C ATOM 955 CD1 TYR A 63 3.998 -2.523 -9.152 1.00 0.00 C ATOM 956 CD2 TYR A 63 2.021 -1.471 -10.174 1.00 0.00 C ATOM 957 CE1 TYR A 63 3.291 -3.753 -9.053 1.00 0.00 C ATOM 958 CE2 TYR A 63 1.316 -2.701 -10.076 1.00 0.00 C ATOM 959 CZ TYR A 63 1.951 -3.842 -9.515 1.00 0.00 C ATOM 960 OH TYR A 63 1.265 -5.035 -9.420 1.00 0.00 O ATOM 0 H TYR A 63 5.796 1.708 -10.122 1.00 0.00 H new ATOM 0 HA TYR A 63 5.934 -1.101 -10.324 1.00 0.00 H new ATOM 0 HB2 TYR A 63 4.405 0.267 -8.827 1.00 0.00 H new ATOM 0 HB3 TYR A 63 3.462 0.692 -10.242 1.00 0.00 H new ATOM 0 HD1 TYR A 63 5.017 -2.456 -8.801 1.00 0.00 H new ATOM 0 HD2 TYR A 63 1.538 -0.604 -10.599 1.00 0.00 H new ATOM 0 HE1 TYR A 63 3.773 -4.620 -8.626 1.00 0.00 H new ATOM 0 HE2 TYR A 63 0.297 -2.769 -10.428 1.00 0.00 H new ATOM 0 HH TYR A 63 1.254 -5.476 -10.295 1.00 0.00 H new ATOM 970 N ALA A 64 4.080 0.326 -12.683 1.00 0.00 N ATOM 971 CA ALA A 64 3.593 0.158 -14.053 1.00 0.00 C ATOM 972 C ALA A 64 2.865 -1.179 -14.212 1.00 0.00 C ATOM 973 O ALA A 64 3.122 -1.942 -15.145 1.00 0.00 O ATOM 974 CB ALA A 64 4.761 0.221 -15.043 1.00 0.00 C ATOM 0 H ALA A 64 3.731 1.157 -12.207 1.00 0.00 H new ATOM 0 HA ALA A 64 2.894 0.968 -14.263 1.00 0.00 H new ATOM 0 HB1 ALA A 64 4.385 0.095 -16.058 1.00 0.00 H new ATOM 0 HB2 ALA A 64 5.258 1.187 -14.958 1.00 0.00 H new ATOM 0 HB3 ALA A 64 5.472 -0.574 -14.818 1.00 0.00 H new ATOM 980 N ALA A 65 1.948 -1.450 -13.288 1.00 0.00 N ATOM 981 CA ALA A 65 1.180 -2.694 -13.328 1.00 0.00 C ATOM 982 C ALA A 65 2.108 -3.902 -13.241 1.00 0.00 C ATOM 983 O ALA A 65 2.195 -4.483 -12.172 1.00 0.00 O ATOM 984 CB ALA A 65 0.369 -2.782 -14.621 1.00 0.00 C ATOM 0 H ALA A 65 1.719 -0.833 -12.509 1.00 0.00 H new ATOM 0 HA ALA A 65 0.503 -2.695 -12.473 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -0.196 -3.714 -14.633 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -0.320 -1.939 -14.676 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.044 -2.756 -15.476 1.00 0.00 H new TER 990 ALA A 65