USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 528 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 Single : A 1 MET CE :methyl 148:sc= -0.232 (180deg=-4.1!) USER MOD Single : A 1 MET N :NH3+ -137:sc= 0.725 (180deg=0.0447) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 GLN :FLIP amide:sc= -0.279 F(o=-0.96,f=-0.28) USER MOD Single : A 11 HIS : no HE2:sc= -0.774 K(o=-0.77,f=-1.6) USER MOD Single : A 12 THR OG1 : rot -96:sc= 0.321 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.586 X(o=-0.59,f=-0.36) USER MOD Single : A 20 THR OG1 : rot -160:sc= -1.59! USER MOD Single : A 23 GLN : amide:sc= -0.0205 X(o=-0.02,f=-0.31) USER MOD Single : A 25 LYS NZ :NH3+ -121:sc= 0.605 (180deg=0.228) USER MOD Single : A 27 HIS : no HD1:sc= -0.109 X(o=-0.11,f=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -2.52 X(o=-2.5,f=-2.8!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.359 USER MOD Single : A 56 GLN : amide:sc= -0.0265 X(o=-0.026,f=0.17) USER MOD Single : A 57 CYS SG : rot -21:sc= -0.55 USER MOD Single : A 63 THR OG1 : rot 106:sc= 0.281 USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.0538 USER MOD Single : A 71 MET CE :methyl -162:sc= -0.15 (180deg=-0.585) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.137 -0.883 -0.245 1.00 0.00 N ATOM 2 CA MET A 1 2.140 -0.456 -1.251 1.00 0.00 C ATOM 3 C MET A 1 3.183 -1.569 -1.407 1.00 0.00 C ATOM 4 O MET A 1 4.211 -1.593 -0.726 1.00 0.00 O ATOM 5 CB MET A 1 2.783 0.889 -0.817 1.00 0.00 C ATOM 6 CG MET A 1 3.890 1.441 -1.730 1.00 0.00 C ATOM 7 SD MET A 1 4.585 2.978 -1.078 1.00 0.00 S ATOM 8 CE MET A 1 5.981 3.243 -2.161 1.00 0.00 C ATOM 0 H1 MET A 1 0.183 -0.641 -0.581 1.00 0.00 H new ATOM 0 H2 MET A 1 1.204 -1.911 -0.103 1.00 0.00 H new ATOM 0 H3 MET A 1 1.320 -0.397 0.656 1.00 0.00 H new ATOM 0 HA MET A 1 1.667 -0.289 -2.219 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.994 1.638 -0.745 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.196 0.764 0.184 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.681 0.698 -1.834 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.486 1.618 -2.727 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.146 4.313 -2.286 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.870 2.787 -1.726 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.779 2.791 -3.132 1.00 0.00 H new ATOM 18 N GLN A 2 2.840 -2.545 -2.251 1.00 0.00 N ATOM 19 CA GLN A 2 3.641 -3.750 -2.474 1.00 0.00 C ATOM 20 C GLN A 2 4.634 -3.503 -3.611 1.00 0.00 C ATOM 21 O GLN A 2 4.260 -3.569 -4.787 1.00 0.00 O ATOM 22 CB GLN A 2 2.707 -4.949 -2.818 1.00 0.00 C ATOM 23 CG GLN A 2 3.442 -6.287 -3.015 1.00 0.00 C ATOM 24 CD GLN A 2 2.564 -7.393 -3.591 1.00 0.00 C ATOM 25 OE1 GLN A 2 1.916 -8.140 -2.858 1.00 0.00 O ATOM 26 NE2 GLN A 2 2.536 -7.503 -4.913 1.00 0.00 N ATOM 0 H GLN A 2 1.985 -2.520 -2.807 1.00 0.00 H new ATOM 0 HA GLN A 2 4.196 -3.990 -1.567 1.00 0.00 H new ATOM 0 HB2 GLN A 2 1.974 -5.064 -2.020 1.00 0.00 H new ATOM 0 HB3 GLN A 2 2.154 -4.714 -3.727 1.00 0.00 H new ATOM 0 HG2 GLN A 2 4.293 -6.129 -3.678 1.00 0.00 H new ATOM 0 HG3 GLN A 2 3.842 -6.616 -2.056 1.00 0.00 H new ATOM 0 HE21 GLN A 2 3.086 -6.866 -5.490 1.00 0.00 H new ATOM 0 HE22 GLN A 2 1.964 -8.224 -5.353 1.00 0.00 H new ATOM 35 N LEU A 3 5.887 -3.186 -3.269 1.00 0.00 N ATOM 36 CA LEU A 3 6.960 -3.028 -4.260 1.00 0.00 C ATOM 37 C LEU A 3 8.005 -4.120 -4.041 1.00 0.00 C ATOM 38 O LEU A 3 8.193 -4.604 -2.925 1.00 0.00 O ATOM 39 CB LEU A 3 7.565 -1.578 -4.233 1.00 0.00 C ATOM 40 CG LEU A 3 8.234 -1.031 -2.905 1.00 0.00 C ATOM 41 CD1 LEU A 3 9.632 -1.644 -2.621 1.00 0.00 C ATOM 42 CD2 LEU A 3 8.336 0.515 -2.940 1.00 0.00 C ATOM 0 H LEU A 3 6.186 -3.032 -2.306 1.00 0.00 H new ATOM 0 HA LEU A 3 6.553 -3.148 -5.264 1.00 0.00 H new ATOM 0 HB2 LEU A 3 8.315 -1.523 -5.022 1.00 0.00 H new ATOM 0 HB3 LEU A 3 6.767 -0.887 -4.504 1.00 0.00 H new ATOM 0 HG LEU A 3 7.580 -1.341 -2.090 1.00 0.00 H new ATOM 0 HD11 LEU A 3 10.032 -1.226 -1.697 1.00 0.00 H new ATOM 0 HD12 LEU A 3 9.541 -2.726 -2.520 1.00 0.00 H new ATOM 0 HD13 LEU A 3 10.305 -1.412 -3.446 1.00 0.00 H new ATOM 0 HD21 LEU A 3 8.798 0.870 -2.019 1.00 0.00 H new ATOM 0 HD22 LEU A 3 8.944 0.820 -3.792 1.00 0.00 H new ATOM 0 HD23 LEU A 3 7.338 0.943 -3.034 1.00 0.00 H new ATOM 54 N PHE A 4 8.666 -4.513 -5.119 1.00 0.00 N ATOM 55 CA PHE A 4 9.721 -5.528 -5.104 1.00 0.00 C ATOM 56 C PHE A 4 11.064 -4.843 -4.812 1.00 0.00 C ATOM 57 O PHE A 4 11.268 -3.684 -5.195 1.00 0.00 O ATOM 58 CB PHE A 4 9.764 -6.272 -6.470 1.00 0.00 C ATOM 59 CG PHE A 4 8.406 -6.821 -6.930 1.00 0.00 C ATOM 60 CD1 PHE A 4 7.513 -6.018 -7.654 1.00 0.00 C ATOM 61 CD2 PHE A 4 8.018 -8.127 -6.627 1.00 0.00 C ATOM 62 CE1 PHE A 4 6.286 -6.511 -8.067 1.00 0.00 C ATOM 63 CE2 PHE A 4 6.790 -8.616 -7.042 1.00 0.00 C ATOM 64 CZ PHE A 4 5.925 -7.810 -7.756 1.00 0.00 C ATOM 0 H PHE A 4 8.485 -4.132 -6.048 1.00 0.00 H new ATOM 0 HA PHE A 4 9.519 -6.265 -4.326 1.00 0.00 H new ATOM 0 HB2 PHE A 4 10.144 -5.590 -7.231 1.00 0.00 H new ATOM 0 HB3 PHE A 4 10.472 -7.098 -6.399 1.00 0.00 H new ATOM 0 HD1 PHE A 4 7.786 -5.001 -7.893 1.00 0.00 H new ATOM 0 HD2 PHE A 4 8.683 -8.764 -6.062 1.00 0.00 H new ATOM 0 HE1 PHE A 4 5.612 -5.883 -8.631 1.00 0.00 H new ATOM 0 HE2 PHE A 4 6.508 -9.632 -6.806 1.00 0.00 H new ATOM 0 HZ PHE A 4 4.966 -8.194 -8.072 1.00 0.00 H new ATOM 74 N VAL A 5 11.945 -5.537 -4.088 1.00 0.00 N ATOM 75 CA VAL A 5 13.338 -5.126 -3.898 1.00 0.00 C ATOM 76 C VAL A 5 14.253 -6.286 -4.316 1.00 0.00 C ATOM 77 O VAL A 5 14.272 -7.351 -3.676 1.00 0.00 O ATOM 78 CB VAL A 5 13.641 -4.669 -2.422 1.00 0.00 C ATOM 79 CG1 VAL A 5 15.148 -4.408 -2.217 1.00 0.00 C ATOM 80 CG2 VAL A 5 12.813 -3.415 -2.030 1.00 0.00 C ATOM 0 H VAL A 5 11.709 -6.408 -3.613 1.00 0.00 H new ATOM 0 HA VAL A 5 13.528 -4.254 -4.524 1.00 0.00 H new ATOM 0 HB VAL A 5 13.342 -5.486 -1.765 1.00 0.00 H new ATOM 0 HG11 VAL A 5 15.326 -4.094 -1.189 1.00 0.00 H new ATOM 0 HG12 VAL A 5 15.706 -5.322 -2.419 1.00 0.00 H new ATOM 0 HG13 VAL A 5 15.477 -3.623 -2.898 1.00 0.00 H new ATOM 0 HG21 VAL A 5 13.049 -3.129 -1.005 1.00 0.00 H new ATOM 0 HG22 VAL A 5 13.058 -2.592 -2.702 1.00 0.00 H new ATOM 0 HG23 VAL A 5 11.750 -3.642 -2.108 1.00 0.00 H new ATOM 90 N ARG A 6 14.963 -6.058 -5.423 1.00 0.00 N ATOM 91 CA ARG A 6 15.952 -6.972 -5.970 1.00 0.00 C ATOM 92 C ARG A 6 17.227 -6.917 -5.108 1.00 0.00 C ATOM 93 O ARG A 6 18.078 -6.042 -5.281 1.00 0.00 O ATOM 94 CB ARG A 6 16.241 -6.587 -7.450 1.00 0.00 C ATOM 95 CG ARG A 6 17.229 -7.515 -8.188 1.00 0.00 C ATOM 96 CD ARG A 6 17.470 -7.085 -9.645 1.00 0.00 C ATOM 97 NE ARG A 6 18.413 -7.983 -10.331 1.00 0.00 N ATOM 98 CZ ARG A 6 18.936 -7.779 -11.549 1.00 0.00 C ATOM 99 NH1 ARG A 6 18.677 -6.676 -12.240 1.00 0.00 N ATOM 100 NH2 ARG A 6 19.753 -8.680 -12.060 1.00 0.00 N ATOM 0 H ARG A 6 14.858 -5.207 -5.975 1.00 0.00 H new ATOM 0 HA ARG A 6 15.578 -7.996 -5.953 1.00 0.00 H new ATOM 0 HB2 ARG A 6 15.298 -6.577 -7.997 1.00 0.00 H new ATOM 0 HB3 ARG A 6 16.634 -5.571 -7.474 1.00 0.00 H new ATOM 0 HG2 ARG A 6 18.179 -7.525 -7.654 1.00 0.00 H new ATOM 0 HG3 ARG A 6 16.844 -8.535 -8.173 1.00 0.00 H new ATOM 0 HD2 ARG A 6 16.522 -7.074 -10.182 1.00 0.00 H new ATOM 0 HD3 ARG A 6 17.859 -6.067 -9.664 1.00 0.00 H new ATOM 0 HE ARG A 6 18.692 -8.832 -9.839 1.00 0.00 H new ATOM 0 HH11 ARG A 6 18.067 -5.959 -11.847 1.00 0.00 H new ATOM 0 HH12 ARG A 6 19.088 -6.545 -13.165 1.00 0.00 H new ATOM 0 HH21 ARG A 6 19.981 -9.521 -11.530 1.00 0.00 H new ATOM 0 HH22 ARG A 6 20.157 -8.536 -12.985 1.00 0.00 H new ATOM 114 N ALA A 7 17.283 -7.819 -4.128 1.00 0.00 N ATOM 115 CA ALA A 7 18.474 -8.096 -3.309 1.00 0.00 C ATOM 116 C ALA A 7 19.222 -9.283 -3.940 1.00 0.00 C ATOM 117 O ALA A 7 18.863 -9.712 -5.050 1.00 0.00 O ATOM 118 CB ALA A 7 18.062 -8.378 -1.853 1.00 0.00 C ATOM 0 H ALA A 7 16.482 -8.395 -3.871 1.00 0.00 H new ATOM 0 HA ALA A 7 19.139 -7.233 -3.286 1.00 0.00 H new ATOM 0 HB1 ALA A 7 18.951 -8.582 -1.256 1.00 0.00 H new ATOM 0 HB2 ALA A 7 17.543 -7.510 -1.447 1.00 0.00 H new ATOM 0 HB3 ALA A 7 17.399 -9.243 -1.823 1.00 0.00 H new ATOM 124 N GLN A 8 20.302 -9.758 -3.278 1.00 0.00 N ATOM 125 CA GLN A 8 21.042 -10.982 -3.700 1.00 0.00 C ATOM 126 C GLN A 8 20.077 -12.175 -3.957 1.00 0.00 C ATOM 127 O GLN A 8 20.357 -13.056 -4.777 1.00 0.00 O ATOM 128 CB GLN A 8 22.127 -11.349 -2.654 1.00 0.00 C ATOM 129 CG GLN A 8 21.595 -11.785 -1.274 1.00 0.00 C ATOM 130 CD GLN A 8 22.699 -11.957 -0.232 1.00 0.00 C ATOM 131 OE1 GLN A 8 22.985 -10.901 0.519 1.00 0.00 O flip ATOM 132 NE2 GLN A 8 23.280 -13.034 -0.086 1.00 0.00 N flip ATOM 0 H GLN A 8 20.686 -9.313 -2.444 1.00 0.00 H new ATOM 0 HA GLN A 8 21.539 -10.764 -4.645 1.00 0.00 H new ATOM 0 HB2 GLN A 8 22.740 -12.154 -3.059 1.00 0.00 H new ATOM 0 HB3 GLN A 8 22.781 -10.488 -2.517 1.00 0.00 H new ATOM 0 HG2 GLN A 8 20.879 -11.045 -0.917 1.00 0.00 H new ATOM 0 HG3 GLN A 8 21.055 -12.726 -1.380 1.00 0.00 H new ATOM 0 HE21 GLN A 8 23.038 -13.828 -0.679 1.00 0.00 H new ATOM 0 HE22 GLN A 8 24.002 -13.131 0.627 1.00 0.00 H new ATOM 141 N GLU A 9 18.930 -12.173 -3.246 1.00 0.00 N ATOM 142 CA GLU A 9 17.727 -12.956 -3.611 1.00 0.00 C ATOM 143 C GLU A 9 16.535 -11.982 -3.766 1.00 0.00 C ATOM 144 O GLU A 9 16.529 -10.929 -3.127 1.00 0.00 O ATOM 145 CB GLU A 9 17.432 -14.036 -2.541 1.00 0.00 C ATOM 146 CG GLU A 9 18.567 -15.072 -2.390 1.00 0.00 C ATOM 147 CD GLU A 9 18.252 -16.187 -1.387 1.00 0.00 C ATOM 148 OE1 GLU A 9 17.408 -17.052 -1.698 1.00 0.00 O ATOM 149 OE2 GLU A 9 18.848 -16.215 -0.288 1.00 0.00 O ATOM 0 H GLU A 9 18.810 -11.624 -2.395 1.00 0.00 H new ATOM 0 HA GLU A 9 17.895 -13.475 -4.555 1.00 0.00 H new ATOM 0 HB2 GLU A 9 17.264 -13.549 -1.580 1.00 0.00 H new ATOM 0 HB3 GLU A 9 16.509 -14.554 -2.802 1.00 0.00 H new ATOM 0 HG2 GLU A 9 18.772 -15.518 -3.363 1.00 0.00 H new ATOM 0 HG3 GLU A 9 19.476 -14.559 -2.076 1.00 0.00 H new ATOM 156 N LEU A 10 15.539 -12.314 -4.625 1.00 0.00 N ATOM 157 CA LEU A 10 14.383 -11.417 -4.887 1.00 0.00 C ATOM 158 C LEU A 10 13.443 -11.423 -3.669 1.00 0.00 C ATOM 159 O LEU A 10 13.044 -12.489 -3.183 1.00 0.00 O ATOM 160 CB LEU A 10 13.625 -11.827 -6.201 1.00 0.00 C ATOM 161 CG LEU A 10 12.623 -10.781 -6.849 1.00 0.00 C ATOM 162 CD1 LEU A 10 11.269 -10.686 -6.108 1.00 0.00 C ATOM 163 CD2 LEU A 10 13.276 -9.388 -6.977 1.00 0.00 C ATOM 0 H LEU A 10 15.512 -13.191 -5.146 1.00 0.00 H new ATOM 0 HA LEU A 10 14.752 -10.403 -5.041 1.00 0.00 H new ATOM 0 HB2 LEU A 10 14.374 -12.079 -6.952 1.00 0.00 H new ATOM 0 HB3 LEU A 10 13.065 -12.738 -5.991 1.00 0.00 H new ATOM 0 HG LEU A 10 12.401 -11.159 -7.847 1.00 0.00 H new ATOM 0 HD11 LEU A 10 10.633 -9.953 -6.604 1.00 0.00 H new ATOM 0 HD12 LEU A 10 10.778 -11.659 -6.120 1.00 0.00 H new ATOM 0 HD13 LEU A 10 11.440 -10.379 -5.076 1.00 0.00 H new ATOM 0 HD21 LEU A 10 12.565 -8.693 -7.424 1.00 0.00 H new ATOM 0 HD22 LEU A 10 13.563 -9.028 -5.989 1.00 0.00 H new ATOM 0 HD23 LEU A 10 14.162 -9.458 -7.609 1.00 0.00 H new ATOM 175 N HIS A 11 13.102 -10.221 -3.177 1.00 0.00 N ATOM 176 CA HIS A 11 12.159 -10.037 -2.057 1.00 0.00 C ATOM 177 C HIS A 11 11.063 -9.047 -2.451 1.00 0.00 C ATOM 178 O HIS A 11 11.228 -8.263 -3.389 1.00 0.00 O ATOM 179 CB HIS A 11 12.905 -9.551 -0.786 1.00 0.00 C ATOM 180 CG HIS A 11 13.894 -10.547 -0.265 1.00 0.00 C ATOM 181 ND1 HIS A 11 13.518 -11.670 0.431 1.00 0.00 N ATOM 182 CD2 HIS A 11 15.232 -10.636 -0.416 1.00 0.00 C ATOM 183 CE1 HIS A 11 14.579 -12.402 0.674 1.00 0.00 C ATOM 184 NE2 HIS A 11 15.623 -11.799 0.171 1.00 0.00 N ATOM 0 H HIS A 11 13.473 -9.345 -3.545 1.00 0.00 H new ATOM 0 HA HIS A 11 11.696 -10.997 -1.830 1.00 0.00 H new ATOM 0 HB2 HIS A 11 13.422 -8.618 -1.011 1.00 0.00 H new ATOM 0 HB3 HIS A 11 12.176 -9.331 -0.006 1.00 0.00 H new ATOM 0 HD1 HIS A 11 12.565 -11.898 0.714 1.00 0.00 H new ATOM 0 HD2 HIS A 11 15.872 -9.919 -0.910 1.00 0.00 H new ATOM 0 HE1 HIS A 11 14.588 -13.345 1.201 1.00 0.00 H new ATOM 193 N THR A 12 9.941 -9.100 -1.726 1.00 0.00 N ATOM 194 CA THR A 12 8.791 -8.215 -1.944 1.00 0.00 C ATOM 195 C THR A 12 8.397 -7.589 -0.596 1.00 0.00 C ATOM 196 O THR A 12 8.389 -8.281 0.433 1.00 0.00 O ATOM 197 CB THR A 12 7.586 -8.997 -2.566 1.00 0.00 C ATOM 198 OG1 THR A 12 8.047 -9.789 -3.675 1.00 0.00 O ATOM 199 CG2 THR A 12 6.488 -8.044 -3.057 1.00 0.00 C ATOM 0 H THR A 12 9.804 -9.764 -0.964 1.00 0.00 H new ATOM 0 HA THR A 12 9.064 -7.432 -2.651 1.00 0.00 H new ATOM 0 HB THR A 12 7.166 -9.636 -1.789 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.894 -9.301 -4.511 1.00 0.00 H new ATOM 0 HG21 THR A 12 5.668 -8.622 -3.482 1.00 0.00 H new ATOM 0 HG22 THR A 12 6.119 -7.452 -2.219 1.00 0.00 H new ATOM 0 HG23 THR A 12 6.897 -7.380 -3.818 1.00 0.00 H new ATOM 207 N PHE A 13 8.087 -6.282 -0.612 1.00 0.00 N ATOM 208 CA PHE A 13 7.878 -5.476 0.596 1.00 0.00 C ATOM 209 C PHE A 13 6.573 -4.667 0.509 1.00 0.00 C ATOM 210 O PHE A 13 6.429 -3.785 -0.347 1.00 0.00 O ATOM 211 CB PHE A 13 9.073 -4.502 0.821 1.00 0.00 C ATOM 212 CG PHE A 13 10.378 -5.191 1.223 1.00 0.00 C ATOM 213 CD1 PHE A 13 11.268 -5.662 0.262 1.00 0.00 C ATOM 214 CD2 PHE A 13 10.705 -5.378 2.567 1.00 0.00 C ATOM 215 CE1 PHE A 13 12.439 -6.291 0.629 1.00 0.00 C ATOM 216 CE2 PHE A 13 11.878 -6.007 2.926 1.00 0.00 C ATOM 217 CZ PHE A 13 12.744 -6.465 1.960 1.00 0.00 C ATOM 0 H PHE A 13 7.974 -5.752 -1.476 1.00 0.00 H new ATOM 0 HA PHE A 13 7.808 -6.165 1.438 1.00 0.00 H new ATOM 0 HB2 PHE A 13 9.242 -3.935 -0.094 1.00 0.00 H new ATOM 0 HB3 PHE A 13 8.801 -3.784 1.595 1.00 0.00 H new ATOM 0 HD1 PHE A 13 11.038 -5.533 -0.785 1.00 0.00 H new ATOM 0 HD2 PHE A 13 10.031 -5.026 3.334 1.00 0.00 H new ATOM 0 HE1 PHE A 13 13.119 -6.648 -0.130 1.00 0.00 H new ATOM 0 HE2 PHE A 13 12.118 -6.141 3.970 1.00 0.00 H new ATOM 0 HZ PHE A 13 13.661 -6.960 2.245 1.00 0.00 H new ATOM 227 N GLU A 14 5.627 -4.999 1.396 1.00 0.00 N ATOM 228 CA GLU A 14 4.484 -4.138 1.707 1.00 0.00 C ATOM 229 C GLU A 14 4.987 -3.011 2.626 1.00 0.00 C ATOM 230 O GLU A 14 5.259 -3.239 3.809 1.00 0.00 O ATOM 231 CB GLU A 14 3.358 -4.993 2.391 1.00 0.00 C ATOM 232 CG GLU A 14 2.316 -5.618 1.424 1.00 0.00 C ATOM 233 CD GLU A 14 1.196 -4.633 1.045 1.00 0.00 C ATOM 234 OE1 GLU A 14 1.368 -3.826 0.115 1.00 0.00 O ATOM 235 OE2 GLU A 14 0.145 -4.633 1.720 1.00 0.00 O ATOM 0 H GLU A 14 5.635 -5.875 1.919 1.00 0.00 H new ATOM 0 HA GLU A 14 4.055 -3.699 0.806 1.00 0.00 H new ATOM 0 HB2 GLU A 14 3.829 -5.796 2.959 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.831 -4.363 3.107 1.00 0.00 H new ATOM 0 HG2 GLU A 14 2.821 -5.954 0.519 1.00 0.00 H new ATOM 0 HG3 GLU A 14 1.877 -6.500 1.890 1.00 0.00 H new ATOM 242 N VAL A 15 5.160 -1.812 2.051 1.00 0.00 N ATOM 243 CA VAL A 15 5.612 -0.616 2.772 1.00 0.00 C ATOM 244 C VAL A 15 4.457 0.393 2.863 1.00 0.00 C ATOM 245 O VAL A 15 3.416 0.204 2.229 1.00 0.00 O ATOM 246 CB VAL A 15 6.874 0.034 2.071 1.00 0.00 C ATOM 247 CG1 VAL A 15 8.061 -0.961 1.995 1.00 0.00 C ATOM 248 CG2 VAL A 15 6.542 0.610 0.671 1.00 0.00 C ATOM 0 H VAL A 15 4.987 -1.645 1.060 1.00 0.00 H new ATOM 0 HA VAL A 15 5.914 -0.906 3.778 1.00 0.00 H new ATOM 0 HB VAL A 15 7.177 0.872 2.699 1.00 0.00 H new ATOM 0 HG11 VAL A 15 8.909 -0.479 1.508 1.00 0.00 H new ATOM 0 HG12 VAL A 15 8.346 -1.265 3.002 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.764 -1.839 1.422 1.00 0.00 H new ATOM 0 HG21 VAL A 15 7.441 1.044 0.234 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.174 -0.189 0.027 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.777 1.380 0.767 1.00 0.00 H new ATOM 258 N THR A 16 4.633 1.443 3.674 1.00 0.00 N ATOM 259 CA THR A 16 3.623 2.510 3.841 1.00 0.00 C ATOM 260 C THR A 16 3.937 3.694 2.892 1.00 0.00 C ATOM 261 O THR A 16 3.024 4.403 2.438 1.00 0.00 O ATOM 262 CB THR A 16 3.581 2.986 5.334 1.00 0.00 C ATOM 263 OG1 THR A 16 3.372 1.860 6.194 1.00 0.00 O ATOM 264 CG2 THR A 16 2.484 4.030 5.601 1.00 0.00 C ATOM 0 H THR A 16 5.474 1.582 4.234 1.00 0.00 H new ATOM 0 HA THR A 16 2.641 2.114 3.581 1.00 0.00 H new ATOM 0 HB THR A 16 4.541 3.460 5.540 1.00 0.00 H new ATOM 0 HG1 THR A 16 3.348 2.161 7.126 1.00 0.00 H new ATOM 0 HG21 THR A 16 2.506 4.320 6.652 1.00 0.00 H new ATOM 0 HG22 THR A 16 2.658 4.908 4.979 1.00 0.00 H new ATOM 0 HG23 THR A 16 1.510 3.603 5.362 1.00 0.00 H new ATOM 272 N GLY A 17 5.235 3.877 2.576 1.00 0.00 N ATOM 273 CA GLY A 17 5.705 4.990 1.742 1.00 0.00 C ATOM 274 C GLY A 17 6.337 6.111 2.560 1.00 0.00 C ATOM 275 O GLY A 17 7.006 6.990 2.006 1.00 0.00 O ATOM 0 H GLY A 17 5.981 3.257 2.893 1.00 0.00 H new ATOM 0 HA2 GLY A 17 6.433 4.617 1.021 1.00 0.00 H new ATOM 0 HA3 GLY A 17 4.867 5.390 1.171 1.00 0.00 H new ATOM 279 N GLN A 18 6.136 6.066 3.890 1.00 0.00 N ATOM 280 CA GLN A 18 6.606 7.116 4.823 1.00 0.00 C ATOM 281 C GLN A 18 8.000 6.785 5.374 1.00 0.00 C ATOM 282 O GLN A 18 8.622 7.619 6.037 1.00 0.00 O ATOM 283 CB GLN A 18 5.593 7.269 5.992 1.00 0.00 C ATOM 284 CG GLN A 18 5.512 6.046 6.940 1.00 0.00 C ATOM 285 CD GLN A 18 4.465 6.178 8.047 1.00 0.00 C ATOM 286 OE1 GLN A 18 4.131 7.274 8.486 1.00 0.00 O ATOM 287 NE2 GLN A 18 3.946 5.049 8.519 1.00 0.00 N ATOM 0 H GLN A 18 5.643 5.302 4.352 1.00 0.00 H new ATOM 0 HA GLN A 18 6.675 8.056 4.276 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.863 8.148 6.577 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.603 7.455 5.575 1.00 0.00 H new ATOM 0 HG2 GLN A 18 5.290 5.157 6.350 1.00 0.00 H new ATOM 0 HG3 GLN A 18 6.489 5.889 7.397 1.00 0.00 H new ATOM 0 HE21 GLN A 18 4.242 4.152 8.135 1.00 0.00 H new ATOM 0 HE22 GLN A 18 3.251 5.080 9.265 1.00 0.00 H new ATOM 296 N GLU A 19 8.470 5.559 5.100 1.00 0.00 N ATOM 297 CA GLU A 19 9.818 5.112 5.479 1.00 0.00 C ATOM 298 C GLU A 19 10.833 5.799 4.571 1.00 0.00 C ATOM 299 O GLU A 19 10.492 6.182 3.447 1.00 0.00 O ATOM 300 CB GLU A 19 9.965 3.560 5.366 1.00 0.00 C ATOM 301 CG GLU A 19 8.955 2.726 6.190 1.00 0.00 C ATOM 302 CD GLU A 19 7.703 2.306 5.399 1.00 0.00 C ATOM 303 OE1 GLU A 19 6.880 3.170 5.035 1.00 0.00 O ATOM 304 OE2 GLU A 19 7.532 1.096 5.143 1.00 0.00 O ATOM 0 H GLU A 19 7.926 4.850 4.609 1.00 0.00 H new ATOM 0 HA GLU A 19 9.995 5.380 6.520 1.00 0.00 H new ATOM 0 HB2 GLU A 19 9.868 3.280 4.317 1.00 0.00 H new ATOM 0 HB3 GLU A 19 10.973 3.286 5.677 1.00 0.00 H new ATOM 0 HG2 GLU A 19 9.455 1.832 6.562 1.00 0.00 H new ATOM 0 HG3 GLU A 19 8.646 3.304 7.061 1.00 0.00 H new ATOM 311 N THR A 20 12.059 5.989 5.059 1.00 0.00 N ATOM 312 CA THR A 20 13.155 6.469 4.218 1.00 0.00 C ATOM 313 C THR A 20 13.736 5.297 3.411 1.00 0.00 C ATOM 314 O THR A 20 13.492 4.118 3.712 1.00 0.00 O ATOM 315 CB THR A 20 14.272 7.158 5.060 1.00 0.00 C ATOM 316 OG1 THR A 20 14.821 6.232 6.006 1.00 0.00 O ATOM 317 CG2 THR A 20 13.752 8.407 5.797 1.00 0.00 C ATOM 0 H THR A 20 12.318 5.818 6.031 1.00 0.00 H new ATOM 0 HA THR A 20 12.756 7.219 3.536 1.00 0.00 H new ATOM 0 HB THR A 20 15.049 7.479 4.367 1.00 0.00 H new ATOM 0 HG1 THR A 20 15.272 6.725 6.722 1.00 0.00 H new ATOM 0 HG21 THR A 20 14.563 8.855 6.371 1.00 0.00 H new ATOM 0 HG22 THR A 20 13.379 9.129 5.071 1.00 0.00 H new ATOM 0 HG23 THR A 20 12.945 8.122 6.472 1.00 0.00 H new ATOM 325 N VAL A 21 14.510 5.629 2.378 1.00 0.00 N ATOM 326 CA VAL A 21 15.288 4.648 1.622 1.00 0.00 C ATOM 327 C VAL A 21 16.347 3.981 2.553 1.00 0.00 C ATOM 328 O VAL A 21 16.707 2.825 2.350 1.00 0.00 O ATOM 329 CB VAL A 21 15.936 5.330 0.357 1.00 0.00 C ATOM 330 CG1 VAL A 21 16.962 4.421 -0.353 1.00 0.00 C ATOM 331 CG2 VAL A 21 14.834 5.808 -0.631 1.00 0.00 C ATOM 0 H VAL A 21 14.615 6.586 2.042 1.00 0.00 H new ATOM 0 HA VAL A 21 14.634 3.856 1.257 1.00 0.00 H new ATOM 0 HB VAL A 21 16.490 6.199 0.713 1.00 0.00 H new ATOM 0 HG11 VAL A 21 17.375 4.943 -1.216 1.00 0.00 H new ATOM 0 HG12 VAL A 21 17.766 4.171 0.339 1.00 0.00 H new ATOM 0 HG13 VAL A 21 16.470 3.506 -0.684 1.00 0.00 H new ATOM 0 HG21 VAL A 21 15.301 6.276 -1.498 1.00 0.00 H new ATOM 0 HG22 VAL A 21 14.241 4.953 -0.956 1.00 0.00 H new ATOM 0 HG23 VAL A 21 14.187 6.530 -0.133 1.00 0.00 H new ATOM 341 N ALA A 22 16.780 4.718 3.606 1.00 0.00 N ATOM 342 CA ALA A 22 17.656 4.181 4.671 1.00 0.00 C ATOM 343 C ALA A 22 16.954 3.058 5.469 1.00 0.00 C ATOM 344 O ALA A 22 17.587 2.056 5.815 1.00 0.00 O ATOM 345 CB ALA A 22 18.101 5.307 5.615 1.00 0.00 C ATOM 0 H ALA A 22 16.531 5.698 3.738 1.00 0.00 H new ATOM 0 HA ALA A 22 18.536 3.751 4.192 1.00 0.00 H new ATOM 0 HB1 ALA A 22 18.745 4.896 6.393 1.00 0.00 H new ATOM 0 HB2 ALA A 22 18.650 6.060 5.050 1.00 0.00 H new ATOM 0 HB3 ALA A 22 17.225 5.765 6.073 1.00 0.00 H new ATOM 351 N GLN A 23 15.644 3.238 5.756 1.00 0.00 N ATOM 352 CA GLN A 23 14.829 2.220 6.465 1.00 0.00 C ATOM 353 C GLN A 23 14.654 0.963 5.590 1.00 0.00 C ATOM 354 O GLN A 23 14.660 -0.163 6.098 1.00 0.00 O ATOM 355 CB GLN A 23 13.444 2.796 6.894 1.00 0.00 C ATOM 356 CG GLN A 23 13.519 3.985 7.881 1.00 0.00 C ATOM 357 CD GLN A 23 14.183 3.648 9.224 1.00 0.00 C ATOM 358 OE1 GLN A 23 14.105 2.519 9.709 1.00 0.00 O ATOM 359 NE2 GLN A 23 14.826 4.626 9.841 1.00 0.00 N ATOM 0 H GLN A 23 15.126 4.081 5.507 1.00 0.00 H new ATOM 0 HA GLN A 23 15.362 1.938 7.373 1.00 0.00 H new ATOM 0 HB2 GLN A 23 12.906 3.115 6.002 1.00 0.00 H new ATOM 0 HB3 GLN A 23 12.859 1.998 7.351 1.00 0.00 H new ATOM 0 HG2 GLN A 23 14.070 4.799 7.410 1.00 0.00 H new ATOM 0 HG3 GLN A 23 12.510 4.351 8.069 1.00 0.00 H new ATOM 0 HE21 GLN A 23 14.875 5.552 9.416 1.00 0.00 H new ATOM 0 HE22 GLN A 23 15.273 4.454 10.742 1.00 0.00 H new ATOM 368 N ILE A 24 14.512 1.182 4.266 1.00 0.00 N ATOM 369 CA ILE A 24 14.461 0.096 3.263 1.00 0.00 C ATOM 370 C ILE A 24 15.773 -0.714 3.280 1.00 0.00 C ATOM 371 O ILE A 24 15.737 -1.949 3.321 1.00 0.00 O ATOM 372 CB ILE A 24 14.185 0.654 1.807 1.00 0.00 C ATOM 373 CG1 ILE A 24 12.809 1.402 1.748 1.00 0.00 C ATOM 374 CG2 ILE A 24 14.256 -0.463 0.718 1.00 0.00 C ATOM 375 CD1 ILE A 24 11.595 0.542 2.092 1.00 0.00 C ATOM 0 H ILE A 24 14.430 2.115 3.862 1.00 0.00 H new ATOM 0 HA ILE A 24 13.632 -0.559 3.532 1.00 0.00 H new ATOM 0 HB ILE A 24 14.979 1.366 1.584 1.00 0.00 H new ATOM 0 HG12 ILE A 24 12.842 2.249 2.434 1.00 0.00 H new ATOM 0 HG13 ILE A 24 12.676 1.809 0.746 1.00 0.00 H new ATOM 0 HG21 ILE A 24 14.060 -0.029 -0.262 1.00 0.00 H new ATOM 0 HG22 ILE A 24 15.249 -0.913 0.723 1.00 0.00 H new ATOM 0 HG23 ILE A 24 13.509 -1.228 0.932 1.00 0.00 H new ATOM 0 HD11 ILE A 24 10.690 1.146 2.024 1.00 0.00 H new ATOM 0 HD12 ILE A 24 11.529 -0.291 1.392 1.00 0.00 H new ATOM 0 HD13 ILE A 24 11.698 0.156 3.106 1.00 0.00 H new ATOM 387 N LYS A 25 16.925 0.007 3.264 1.00 0.00 N ATOM 388 CA LYS A 25 18.262 -0.610 3.377 1.00 0.00 C ATOM 389 C LYS A 25 18.338 -1.468 4.652 1.00 0.00 C ATOM 390 O LYS A 25 18.741 -2.623 4.600 1.00 0.00 O ATOM 391 CB LYS A 25 19.396 0.463 3.420 1.00 0.00 C ATOM 392 CG LYS A 25 19.547 1.339 2.154 1.00 0.00 C ATOM 393 CD LYS A 25 20.714 2.352 2.285 1.00 0.00 C ATOM 394 CE LYS A 25 20.863 3.281 1.066 1.00 0.00 C ATOM 395 NZ LYS A 25 22.081 4.142 1.176 1.00 0.00 N ATOM 0 H LYS A 25 16.948 1.023 3.173 1.00 0.00 H new ATOM 0 HA LYS A 25 18.409 -1.230 2.493 1.00 0.00 H new ATOM 0 HB2 LYS A 25 19.217 1.118 4.272 1.00 0.00 H new ATOM 0 HB3 LYS A 25 20.343 -0.045 3.602 1.00 0.00 H new ATOM 0 HG2 LYS A 25 19.718 0.699 1.288 1.00 0.00 H new ATOM 0 HG3 LYS A 25 18.617 1.878 1.973 1.00 0.00 H new ATOM 0 HD2 LYS A 25 20.559 2.959 3.177 1.00 0.00 H new ATOM 0 HD3 LYS A 25 21.645 1.804 2.430 1.00 0.00 H new ATOM 0 HE2 LYS A 25 20.920 2.683 0.157 1.00 0.00 H new ATOM 0 HE3 LYS A 25 19.978 3.911 0.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 21.802 5.143 1.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 22.568 3.941 2.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 22.721 3.941 0.381 1.00 0.00 H new ATOM 409 N ALA A 26 17.919 -0.871 5.780 1.00 0.00 N ATOM 410 CA ALA A 26 17.947 -1.510 7.108 1.00 0.00 C ATOM 411 C ALA A 26 17.203 -2.863 7.112 1.00 0.00 C ATOM 412 O ALA A 26 17.744 -3.880 7.561 1.00 0.00 O ATOM 413 CB ALA A 26 17.367 -0.553 8.160 1.00 0.00 C ATOM 0 H ALA A 26 17.547 0.079 5.797 1.00 0.00 H new ATOM 0 HA ALA A 26 18.986 -1.723 7.360 1.00 0.00 H new ATOM 0 HB1 ALA A 26 17.391 -1.031 9.139 1.00 0.00 H new ATOM 0 HB2 ALA A 26 17.961 0.360 8.188 1.00 0.00 H new ATOM 0 HB3 ALA A 26 16.337 -0.308 7.901 1.00 0.00 H new ATOM 419 N HIS A 27 15.978 -2.863 6.553 1.00 0.00 N ATOM 420 CA HIS A 27 15.109 -4.053 6.511 1.00 0.00 C ATOM 421 C HIS A 27 15.739 -5.164 5.640 1.00 0.00 C ATOM 422 O HIS A 27 15.776 -6.337 6.045 1.00 0.00 O ATOM 423 CB HIS A 27 13.702 -3.662 5.972 1.00 0.00 C ATOM 424 CG HIS A 27 12.581 -4.643 6.276 1.00 0.00 C ATOM 425 ND1 HIS A 27 11.260 -4.261 6.348 1.00 0.00 N ATOM 426 CD2 HIS A 27 12.580 -5.986 6.519 1.00 0.00 C ATOM 427 CE1 HIS A 27 10.510 -5.307 6.626 1.00 0.00 C ATOM 428 NE2 HIS A 27 11.284 -6.363 6.725 1.00 0.00 N ATOM 0 H HIS A 27 15.564 -2.038 6.118 1.00 0.00 H new ATOM 0 HA HIS A 27 15.002 -4.443 7.523 1.00 0.00 H new ATOM 0 HB2 HIS A 27 13.432 -2.691 6.387 1.00 0.00 H new ATOM 0 HB3 HIS A 27 13.769 -3.540 4.891 1.00 0.00 H new ATOM 0 HD2 HIS A 27 13.445 -6.632 6.544 1.00 0.00 H new ATOM 0 HE1 HIS A 27 9.437 -5.298 6.752 1.00 0.00 H new ATOM 0 HE2 HIS A 27 10.968 -7.312 6.924 1.00 0.00 H new ATOM 437 N VAL A 28 16.240 -4.787 4.451 1.00 0.00 N ATOM 438 CA VAL A 28 16.859 -5.742 3.508 1.00 0.00 C ATOM 439 C VAL A 28 18.143 -6.343 4.112 1.00 0.00 C ATOM 440 O VAL A 28 18.398 -7.539 3.987 1.00 0.00 O ATOM 441 CB VAL A 28 17.184 -5.069 2.118 1.00 0.00 C ATOM 442 CG1 VAL A 28 17.890 -6.059 1.153 1.00 0.00 C ATOM 443 CG2 VAL A 28 15.900 -4.492 1.478 1.00 0.00 C ATOM 0 H VAL A 28 16.229 -3.823 4.117 1.00 0.00 H new ATOM 0 HA VAL A 28 16.135 -6.538 3.334 1.00 0.00 H new ATOM 0 HB VAL A 28 17.876 -4.247 2.302 1.00 0.00 H new ATOM 0 HG11 VAL A 28 18.097 -5.559 0.207 1.00 0.00 H new ATOM 0 HG12 VAL A 28 18.826 -6.396 1.598 1.00 0.00 H new ATOM 0 HG13 VAL A 28 17.243 -6.918 0.975 1.00 0.00 H new ATOM 0 HG21 VAL A 28 16.146 -4.032 0.521 1.00 0.00 H new ATOM 0 HG22 VAL A 28 15.179 -5.295 1.321 1.00 0.00 H new ATOM 0 HG23 VAL A 28 15.469 -3.742 2.141 1.00 0.00 H new ATOM 453 N ALA A 29 18.916 -5.495 4.793 1.00 0.00 N ATOM 454 CA ALA A 29 20.187 -5.877 5.419 1.00 0.00 C ATOM 455 C ALA A 29 19.973 -6.825 6.613 1.00 0.00 C ATOM 456 O ALA A 29 20.821 -7.672 6.902 1.00 0.00 O ATOM 457 CB ALA A 29 20.936 -4.619 5.850 1.00 0.00 C ATOM 0 H ALA A 29 18.676 -4.513 4.928 1.00 0.00 H new ATOM 0 HA ALA A 29 20.784 -6.421 4.687 1.00 0.00 H new ATOM 0 HB1 ALA A 29 21.881 -4.900 6.316 1.00 0.00 H new ATOM 0 HB2 ALA A 29 21.132 -3.996 4.978 1.00 0.00 H new ATOM 0 HB3 ALA A 29 20.331 -4.062 6.565 1.00 0.00 H new ATOM 463 N SER A 30 18.844 -6.650 7.315 1.00 0.00 N ATOM 464 CA SER A 30 18.424 -7.548 8.400 1.00 0.00 C ATOM 465 C SER A 30 18.085 -8.950 7.848 1.00 0.00 C ATOM 466 O SER A 30 18.464 -9.974 8.440 1.00 0.00 O ATOM 467 CB SER A 30 17.207 -6.939 9.134 1.00 0.00 C ATOM 468 OG SER A 30 16.847 -7.693 10.279 1.00 0.00 O ATOM 0 H SER A 30 18.196 -5.881 7.146 1.00 0.00 H new ATOM 0 HA SER A 30 19.246 -7.659 9.108 1.00 0.00 H new ATOM 0 HB2 SER A 30 17.437 -5.916 9.431 1.00 0.00 H new ATOM 0 HB3 SER A 30 16.359 -6.889 8.451 1.00 0.00 H new ATOM 0 HG SER A 30 16.075 -7.276 10.716 1.00 0.00 H new ATOM 474 N LEU A 31 17.385 -8.979 6.696 1.00 0.00 N ATOM 475 CA LEU A 31 16.969 -10.236 6.035 1.00 0.00 C ATOM 476 C LEU A 31 18.169 -10.996 5.425 1.00 0.00 C ATOM 477 O LEU A 31 18.286 -12.220 5.583 1.00 0.00 O ATOM 478 CB LEU A 31 15.901 -9.955 4.940 1.00 0.00 C ATOM 479 CG LEU A 31 14.561 -9.309 5.431 1.00 0.00 C ATOM 480 CD1 LEU A 31 13.562 -9.143 4.258 1.00 0.00 C ATOM 481 CD2 LEU A 31 13.929 -10.115 6.600 1.00 0.00 C ATOM 0 H LEU A 31 17.093 -8.138 6.199 1.00 0.00 H new ATOM 0 HA LEU A 31 16.531 -10.872 6.805 1.00 0.00 H new ATOM 0 HB2 LEU A 31 16.343 -9.299 4.190 1.00 0.00 H new ATOM 0 HB3 LEU A 31 15.666 -10.895 4.442 1.00 0.00 H new ATOM 0 HG LEU A 31 14.797 -8.316 5.814 1.00 0.00 H new ATOM 0 HD11 LEU A 31 12.640 -8.692 4.626 1.00 0.00 H new ATOM 0 HD12 LEU A 31 14.001 -8.500 3.495 1.00 0.00 H new ATOM 0 HD13 LEU A 31 13.342 -10.120 3.827 1.00 0.00 H new ATOM 0 HD21 LEU A 31 13.001 -9.636 6.913 1.00 0.00 H new ATOM 0 HD22 LEU A 31 13.718 -11.132 6.269 1.00 0.00 H new ATOM 0 HD23 LEU A 31 14.624 -10.144 7.440 1.00 0.00 H new ATOM 493 N GLU A 32 19.044 -10.259 4.721 1.00 0.00 N ATOM 494 CA GLU A 32 20.191 -10.836 3.983 1.00 0.00 C ATOM 495 C GLU A 32 21.450 -10.953 4.879 1.00 0.00 C ATOM 496 O GLU A 32 22.483 -11.479 4.428 1.00 0.00 O ATOM 497 CB GLU A 32 20.489 -9.992 2.704 1.00 0.00 C ATOM 498 CG GLU A 32 19.264 -9.694 1.796 1.00 0.00 C ATOM 499 CD GLU A 32 18.512 -10.943 1.290 1.00 0.00 C ATOM 500 OE1 GLU A 32 17.718 -11.531 2.061 1.00 0.00 O ATOM 501 OE2 GLU A 32 18.684 -11.341 0.112 1.00 0.00 O ATOM 0 H GLU A 32 18.980 -9.244 4.645 1.00 0.00 H new ATOM 0 HA GLU A 32 19.920 -11.847 3.679 1.00 0.00 H new ATOM 0 HB2 GLU A 32 20.930 -9.044 3.011 1.00 0.00 H new ATOM 0 HB3 GLU A 32 21.239 -10.516 2.111 1.00 0.00 H new ATOM 0 HG2 GLU A 32 18.565 -9.066 2.348 1.00 0.00 H new ATOM 0 HG3 GLU A 32 19.600 -9.116 0.935 1.00 0.00 H new ATOM 508 N GLY A 33 21.352 -10.451 6.135 1.00 0.00 N ATOM 509 CA GLY A 33 22.414 -10.588 7.147 1.00 0.00 C ATOM 510 C GLY A 33 23.666 -9.766 6.840 1.00 0.00 C ATOM 511 O GLY A 33 24.786 -10.177 7.160 1.00 0.00 O ATOM 0 H GLY A 33 20.534 -9.942 6.468 1.00 0.00 H new ATOM 0 HA2 GLY A 33 22.020 -10.285 8.117 1.00 0.00 H new ATOM 0 HA3 GLY A 33 22.691 -11.639 7.230 1.00 0.00 H new ATOM 515 N ILE A 34 23.470 -8.596 6.216 1.00 0.00 N ATOM 516 CA ILE A 34 24.561 -7.695 5.784 1.00 0.00 C ATOM 517 C ILE A 34 24.388 -6.293 6.411 1.00 0.00 C ATOM 518 O ILE A 34 23.440 -6.072 7.177 1.00 0.00 O ATOM 519 CB ILE A 34 24.611 -7.611 4.209 1.00 0.00 C ATOM 520 CG1 ILE A 34 23.200 -7.245 3.620 1.00 0.00 C ATOM 521 CG2 ILE A 34 25.145 -8.935 3.600 1.00 0.00 C ATOM 522 CD1 ILE A 34 23.107 -7.272 2.103 1.00 0.00 C ATOM 0 H ILE A 34 22.541 -8.240 5.992 1.00 0.00 H new ATOM 0 HA ILE A 34 25.510 -8.103 6.133 1.00 0.00 H new ATOM 0 HB ILE A 34 25.303 -6.814 3.936 1.00 0.00 H new ATOM 0 HG12 ILE A 34 22.463 -7.938 4.026 1.00 0.00 H new ATOM 0 HG13 ILE A 34 22.926 -6.249 3.968 1.00 0.00 H new ATOM 0 HG21 ILE A 34 25.170 -8.852 2.513 1.00 0.00 H new ATOM 0 HG22 ILE A 34 26.151 -9.127 3.972 1.00 0.00 H new ATOM 0 HG23 ILE A 34 24.489 -9.757 3.886 1.00 0.00 H new ATOM 0 HD11 ILE A 34 22.096 -7.006 1.796 1.00 0.00 H new ATOM 0 HD12 ILE A 34 23.814 -6.557 1.682 1.00 0.00 H new ATOM 0 HD13 ILE A 34 23.344 -8.273 1.742 1.00 0.00 H new ATOM 534 N ALA A 35 25.316 -5.359 6.102 1.00 0.00 N ATOM 535 CA ALA A 35 25.324 -3.998 6.679 1.00 0.00 C ATOM 536 C ALA A 35 24.567 -2.998 5.756 1.00 0.00 C ATOM 537 O ALA A 35 24.893 -2.870 4.570 1.00 0.00 O ATOM 538 CB ALA A 35 26.770 -3.533 6.932 1.00 0.00 C ATOM 0 H ALA A 35 26.079 -5.529 5.446 1.00 0.00 H new ATOM 0 HA ALA A 35 24.801 -4.025 7.635 1.00 0.00 H new ATOM 0 HB1 ALA A 35 26.760 -2.529 7.357 1.00 0.00 H new ATOM 0 HB2 ALA A 35 27.256 -4.217 7.628 1.00 0.00 H new ATOM 0 HB3 ALA A 35 27.319 -3.523 5.990 1.00 0.00 H new ATOM 544 N PRO A 36 23.545 -2.251 6.293 1.00 0.00 N ATOM 545 CA PRO A 36 22.713 -1.331 5.474 1.00 0.00 C ATOM 546 C PRO A 36 23.491 -0.100 4.993 1.00 0.00 C ATOM 547 O PRO A 36 23.084 0.564 4.035 1.00 0.00 O ATOM 548 CB PRO A 36 21.562 -0.939 6.432 1.00 0.00 C ATOM 549 CG PRO A 36 22.143 -1.079 7.806 1.00 0.00 C ATOM 550 CD PRO A 36 23.136 -2.224 7.728 1.00 0.00 C ATOM 0 HA PRO A 36 22.365 -1.801 4.554 1.00 0.00 H new ATOM 0 HB2 PRO A 36 21.224 0.081 6.248 1.00 0.00 H new ATOM 0 HB3 PRO A 36 20.698 -1.590 6.300 1.00 0.00 H new ATOM 0 HG2 PRO A 36 22.635 -0.157 8.117 1.00 0.00 H new ATOM 0 HG3 PRO A 36 21.364 -1.288 8.539 1.00 0.00 H new ATOM 0 HD2 PRO A 36 23.991 -2.056 8.383 1.00 0.00 H new ATOM 0 HD3 PRO A 36 22.682 -3.167 8.031 1.00 0.00 H new ATOM 558 N GLU A 37 24.620 0.170 5.675 1.00 0.00 N ATOM 559 CA GLU A 37 25.480 1.328 5.414 1.00 0.00 C ATOM 560 C GLU A 37 26.159 1.238 4.036 1.00 0.00 C ATOM 561 O GLU A 37 26.360 2.265 3.389 1.00 0.00 O ATOM 562 CB GLU A 37 26.533 1.460 6.548 1.00 0.00 C ATOM 563 CG GLU A 37 27.472 0.239 6.703 1.00 0.00 C ATOM 564 CD GLU A 37 28.530 0.427 7.800 1.00 0.00 C ATOM 565 OE1 GLU A 37 29.438 1.266 7.618 1.00 0.00 O ATOM 566 OE2 GLU A 37 28.473 -0.262 8.842 1.00 0.00 O ATOM 0 H GLU A 37 24.961 -0.422 6.433 1.00 0.00 H new ATOM 0 HA GLU A 37 24.856 2.222 5.399 1.00 0.00 H new ATOM 0 HB2 GLU A 37 27.139 2.346 6.361 1.00 0.00 H new ATOM 0 HB3 GLU A 37 26.012 1.623 7.492 1.00 0.00 H new ATOM 0 HG2 GLU A 37 26.875 -0.644 6.930 1.00 0.00 H new ATOM 0 HG3 GLU A 37 27.972 0.050 5.753 1.00 0.00 H new ATOM 573 N ASP A 38 26.505 0.007 3.576 1.00 0.00 N ATOM 574 CA ASP A 38 27.242 -0.169 2.294 1.00 0.00 C ATOM 575 C ASP A 38 26.292 -0.385 1.106 1.00 0.00 C ATOM 576 O ASP A 38 26.727 -0.411 -0.060 1.00 0.00 O ATOM 577 CB ASP A 38 28.279 -1.317 2.392 1.00 0.00 C ATOM 578 CG ASP A 38 27.686 -2.715 2.625 1.00 0.00 C ATOM 579 OD1 ASP A 38 27.229 -3.355 1.654 1.00 0.00 O ATOM 580 OD2 ASP A 38 27.707 -3.196 3.773 1.00 0.00 O ATOM 0 H ASP A 38 26.291 -0.864 4.062 1.00 0.00 H new ATOM 0 HA ASP A 38 27.783 0.760 2.110 1.00 0.00 H new ATOM 0 HB2 ASP A 38 28.864 -1.336 1.472 1.00 0.00 H new ATOM 0 HB3 ASP A 38 28.970 -1.093 3.205 1.00 0.00 H new ATOM 585 N GLN A 39 25.004 -0.550 1.409 1.00 0.00 N ATOM 586 CA GLN A 39 23.962 -0.735 0.393 1.00 0.00 C ATOM 587 C GLN A 39 23.548 0.612 -0.224 1.00 0.00 C ATOM 588 O GLN A 39 23.570 1.656 0.440 1.00 0.00 O ATOM 589 CB GLN A 39 22.724 -1.423 1.014 1.00 0.00 C ATOM 590 CG GLN A 39 22.961 -2.863 1.528 1.00 0.00 C ATOM 591 CD GLN A 39 21.717 -3.487 2.172 1.00 0.00 C ATOM 592 OE1 GLN A 39 21.457 -4.677 2.049 1.00 0.00 O ATOM 593 NE2 GLN A 39 20.966 -2.706 2.913 1.00 0.00 N ATOM 0 H GLN A 39 24.651 -0.559 2.366 1.00 0.00 H new ATOM 0 HA GLN A 39 24.371 -1.368 -0.395 1.00 0.00 H new ATOM 0 HB2 GLN A 39 22.366 -0.812 1.843 1.00 0.00 H new ATOM 0 HB3 GLN A 39 21.929 -1.446 0.269 1.00 0.00 H new ATOM 0 HG2 GLN A 39 23.285 -3.490 0.697 1.00 0.00 H new ATOM 0 HG3 GLN A 39 23.773 -2.853 2.255 1.00 0.00 H new ATOM 0 HE21 GLN A 39 21.195 -1.716 3.006 1.00 0.00 H new ATOM 0 HE22 GLN A 39 20.153 -3.089 3.396 1.00 0.00 H new ATOM 602 N VAL A 40 23.189 0.565 -1.515 1.00 0.00 N ATOM 603 CA VAL A 40 22.541 1.672 -2.232 1.00 0.00 C ATOM 604 C VAL A 40 21.302 1.118 -2.958 1.00 0.00 C ATOM 605 O VAL A 40 21.314 -0.011 -3.460 1.00 0.00 O ATOM 606 CB VAL A 40 23.508 2.394 -3.260 1.00 0.00 C ATOM 607 CG1 VAL A 40 24.711 3.070 -2.546 1.00 0.00 C ATOM 608 CG2 VAL A 40 24.001 1.430 -4.374 1.00 0.00 C ATOM 0 H VAL A 40 23.343 -0.257 -2.099 1.00 0.00 H new ATOM 0 HA VAL A 40 22.257 2.431 -1.503 1.00 0.00 H new ATOM 0 HB VAL A 40 22.919 3.177 -3.738 1.00 0.00 H new ATOM 0 HG11 VAL A 40 25.349 3.553 -3.286 1.00 0.00 H new ATOM 0 HG12 VAL A 40 24.343 3.816 -1.841 1.00 0.00 H new ATOM 0 HG13 VAL A 40 25.286 2.316 -2.009 1.00 0.00 H new ATOM 0 HG21 VAL A 40 24.661 1.968 -5.055 1.00 0.00 H new ATOM 0 HG22 VAL A 40 24.544 0.600 -3.923 1.00 0.00 H new ATOM 0 HG23 VAL A 40 23.144 1.045 -4.927 1.00 0.00 H new ATOM 618 N VAL A 41 20.222 1.904 -2.991 1.00 0.00 N ATOM 619 CA VAL A 41 18.954 1.487 -3.613 1.00 0.00 C ATOM 620 C VAL A 41 18.773 2.233 -4.949 1.00 0.00 C ATOM 621 O VAL A 41 18.503 3.434 -4.968 1.00 0.00 O ATOM 622 CB VAL A 41 17.745 1.746 -2.642 1.00 0.00 C ATOM 623 CG1 VAL A 41 16.376 1.483 -3.314 1.00 0.00 C ATOM 624 CG2 VAL A 41 17.882 0.907 -1.340 1.00 0.00 C ATOM 0 H VAL A 41 20.198 2.842 -2.591 1.00 0.00 H new ATOM 0 HA VAL A 41 18.983 0.416 -3.812 1.00 0.00 H new ATOM 0 HB VAL A 41 17.778 2.804 -2.382 1.00 0.00 H new ATOM 0 HG11 VAL A 41 15.576 1.677 -2.599 1.00 0.00 H new ATOM 0 HG12 VAL A 41 16.261 2.142 -4.175 1.00 0.00 H new ATOM 0 HG13 VAL A 41 16.325 0.445 -3.642 1.00 0.00 H new ATOM 0 HG21 VAL A 41 17.032 1.106 -0.687 1.00 0.00 H new ATOM 0 HG22 VAL A 41 17.906 -0.153 -1.591 1.00 0.00 H new ATOM 0 HG23 VAL A 41 18.805 1.179 -0.827 1.00 0.00 H new ATOM 634 N LEU A 42 18.977 1.506 -6.052 1.00 0.00 N ATOM 635 CA LEU A 42 18.840 2.022 -7.419 1.00 0.00 C ATOM 636 C LEU A 42 17.380 1.876 -7.903 1.00 0.00 C ATOM 637 O LEU A 42 16.826 0.776 -7.889 1.00 0.00 O ATOM 638 CB LEU A 42 19.795 1.242 -8.375 1.00 0.00 C ATOM 639 CG LEU A 42 21.294 1.128 -7.930 1.00 0.00 C ATOM 640 CD1 LEU A 42 22.159 0.410 -9.000 1.00 0.00 C ATOM 641 CD2 LEU A 42 21.899 2.509 -7.573 1.00 0.00 C ATOM 0 H LEU A 42 19.247 0.523 -6.020 1.00 0.00 H new ATOM 0 HA LEU A 42 19.108 3.079 -7.425 1.00 0.00 H new ATOM 0 HB2 LEU A 42 19.400 0.234 -8.503 1.00 0.00 H new ATOM 0 HB3 LEU A 42 19.765 1.723 -9.353 1.00 0.00 H new ATOM 0 HG LEU A 42 21.304 0.518 -7.027 1.00 0.00 H new ATOM 0 HD11 LEU A 42 23.191 0.351 -8.654 1.00 0.00 H new ATOM 0 HD12 LEU A 42 21.773 -0.596 -9.164 1.00 0.00 H new ATOM 0 HD13 LEU A 42 22.121 0.970 -9.934 1.00 0.00 H new ATOM 0 HD21 LEU A 42 22.939 2.384 -7.270 1.00 0.00 H new ATOM 0 HD22 LEU A 42 21.851 3.163 -8.444 1.00 0.00 H new ATOM 0 HD23 LEU A 42 21.334 2.953 -6.754 1.00 0.00 H new ATOM 653 N LEU A 43 16.758 2.993 -8.288 1.00 0.00 N ATOM 654 CA LEU A 43 15.472 3.003 -9.011 1.00 0.00 C ATOM 655 C LEU A 43 15.785 2.998 -10.516 1.00 0.00 C ATOM 656 O LEU A 43 16.120 4.042 -11.086 1.00 0.00 O ATOM 657 CB LEU A 43 14.645 4.256 -8.609 1.00 0.00 C ATOM 658 CG LEU A 43 13.310 4.508 -9.390 1.00 0.00 C ATOM 659 CD1 LEU A 43 12.349 3.302 -9.282 1.00 0.00 C ATOM 660 CD2 LEU A 43 12.625 5.816 -8.917 1.00 0.00 C ATOM 0 H LEU A 43 17.130 3.925 -8.108 1.00 0.00 H new ATOM 0 HA LEU A 43 14.875 2.127 -8.758 1.00 0.00 H new ATOM 0 HB2 LEU A 43 14.407 4.179 -7.548 1.00 0.00 H new ATOM 0 HB3 LEU A 43 15.279 5.134 -8.731 1.00 0.00 H new ATOM 0 HG LEU A 43 13.565 4.625 -10.443 1.00 0.00 H new ATOM 0 HD11 LEU A 43 11.435 3.515 -9.836 1.00 0.00 H new ATOM 0 HD12 LEU A 43 12.828 2.416 -9.699 1.00 0.00 H new ATOM 0 HD13 LEU A 43 12.105 3.124 -8.235 1.00 0.00 H new ATOM 0 HD21 LEU A 43 11.701 5.966 -9.476 1.00 0.00 H new ATOM 0 HD22 LEU A 43 12.398 5.744 -7.853 1.00 0.00 H new ATOM 0 HD23 LEU A 43 13.294 6.660 -9.089 1.00 0.00 H new ATOM 672 N ALA A 44 15.746 1.794 -11.120 1.00 0.00 N ATOM 673 CA ALA A 44 16.058 1.568 -12.553 1.00 0.00 C ATOM 674 C ALA A 44 17.473 2.091 -12.933 1.00 0.00 C ATOM 675 O ALA A 44 17.714 2.480 -14.080 1.00 0.00 O ATOM 676 CB ALA A 44 14.958 2.180 -13.444 1.00 0.00 C ATOM 0 H ALA A 44 15.495 0.939 -10.624 1.00 0.00 H new ATOM 0 HA ALA A 44 16.075 0.492 -12.728 1.00 0.00 H new ATOM 0 HB1 ALA A 44 15.201 2.006 -14.492 1.00 0.00 H new ATOM 0 HB2 ALA A 44 14.000 1.714 -13.211 1.00 0.00 H new ATOM 0 HB3 ALA A 44 14.895 3.252 -13.259 1.00 0.00 H new ATOM 682 N GLY A 45 18.400 2.052 -11.952 1.00 0.00 N ATOM 683 CA GLY A 45 19.777 2.532 -12.123 1.00 0.00 C ATOM 684 C GLY A 45 20.066 3.837 -11.381 1.00 0.00 C ATOM 685 O GLY A 45 21.220 4.113 -11.064 1.00 0.00 O ATOM 0 H GLY A 45 18.208 1.685 -11.020 1.00 0.00 H new ATOM 0 HA2 GLY A 45 20.467 1.764 -11.773 1.00 0.00 H new ATOM 0 HA3 GLY A 45 19.973 2.676 -13.185 1.00 0.00 H new ATOM 689 N ALA A 46 19.017 4.635 -11.093 1.00 0.00 N ATOM 690 CA ALA A 46 19.158 5.948 -10.428 1.00 0.00 C ATOM 691 C ALA A 46 19.344 5.777 -8.899 1.00 0.00 C ATOM 692 O ALA A 46 18.413 5.327 -8.232 1.00 0.00 O ATOM 693 CB ALA A 46 17.927 6.830 -10.722 1.00 0.00 C ATOM 0 H ALA A 46 18.052 4.389 -11.314 1.00 0.00 H new ATOM 0 HA ALA A 46 20.047 6.438 -10.826 1.00 0.00 H new ATOM 0 HB1 ALA A 46 18.043 7.794 -10.227 1.00 0.00 H new ATOM 0 HB2 ALA A 46 17.838 6.983 -11.797 1.00 0.00 H new ATOM 0 HB3 ALA A 46 17.029 6.337 -10.350 1.00 0.00 H new ATOM 699 N PRO A 47 20.537 6.130 -8.316 1.00 0.00 N ATOM 700 CA PRO A 47 20.787 5.986 -6.859 1.00 0.00 C ATOM 701 C PRO A 47 19.889 6.928 -6.016 1.00 0.00 C ATOM 702 O PRO A 47 20.059 8.151 -6.044 1.00 0.00 O ATOM 703 CB PRO A 47 22.300 6.328 -6.710 1.00 0.00 C ATOM 704 CG PRO A 47 22.604 7.199 -7.895 1.00 0.00 C ATOM 705 CD PRO A 47 21.724 6.698 -9.020 1.00 0.00 C ATOM 0 HA PRO A 47 20.546 4.989 -6.490 1.00 0.00 H new ATOM 0 HB2 PRO A 47 22.500 6.848 -5.773 1.00 0.00 H new ATOM 0 HB3 PRO A 47 22.913 5.427 -6.711 1.00 0.00 H new ATOM 0 HG2 PRO A 47 22.395 8.246 -7.673 1.00 0.00 H new ATOM 0 HG3 PRO A 47 23.658 7.135 -8.166 1.00 0.00 H new ATOM 0 HD2 PRO A 47 21.440 7.505 -9.696 1.00 0.00 H new ATOM 0 HD3 PRO A 47 22.232 5.943 -9.620 1.00 0.00 H new ATOM 713 N LEU A 48 18.915 6.331 -5.306 1.00 0.00 N ATOM 714 CA LEU A 48 17.970 7.059 -4.438 1.00 0.00 C ATOM 715 C LEU A 48 18.657 7.530 -3.152 1.00 0.00 C ATOM 716 O LEU A 48 19.570 6.857 -2.642 1.00 0.00 O ATOM 717 CB LEU A 48 16.743 6.173 -4.088 1.00 0.00 C ATOM 718 CG LEU A 48 15.864 5.721 -5.294 1.00 0.00 C ATOM 719 CD1 LEU A 48 14.663 4.868 -4.815 1.00 0.00 C ATOM 720 CD2 LEU A 48 15.394 6.944 -6.136 1.00 0.00 C ATOM 0 H LEU A 48 18.760 5.323 -5.318 1.00 0.00 H new ATOM 0 HA LEU A 48 17.624 7.934 -4.989 1.00 0.00 H new ATOM 0 HB2 LEU A 48 17.098 5.283 -3.568 1.00 0.00 H new ATOM 0 HB3 LEU A 48 16.112 6.720 -3.388 1.00 0.00 H new ATOM 0 HG LEU A 48 16.477 5.094 -5.942 1.00 0.00 H new ATOM 0 HD11 LEU A 48 14.066 4.565 -5.675 1.00 0.00 H new ATOM 0 HD12 LEU A 48 15.030 3.981 -4.298 1.00 0.00 H new ATOM 0 HD13 LEU A 48 14.047 5.456 -4.135 1.00 0.00 H new ATOM 0 HD21 LEU A 48 14.783 6.598 -6.970 1.00 0.00 H new ATOM 0 HD22 LEU A 48 14.806 7.613 -5.508 1.00 0.00 H new ATOM 0 HD23 LEU A 48 16.264 7.477 -6.520 1.00 0.00 H new ATOM 732 N GLU A 49 18.188 8.681 -2.640 1.00 0.00 N ATOM 733 CA GLU A 49 18.689 9.283 -1.403 1.00 0.00 C ATOM 734 C GLU A 49 18.118 8.542 -0.192 1.00 0.00 C ATOM 735 O GLU A 49 16.894 8.456 -0.039 1.00 0.00 O ATOM 736 CB GLU A 49 18.307 10.787 -1.336 1.00 0.00 C ATOM 737 CG GLU A 49 18.725 11.614 -2.565 1.00 0.00 C ATOM 738 CD GLU A 49 20.215 11.471 -2.927 1.00 0.00 C ATOM 739 OE1 GLU A 49 21.079 11.804 -2.088 1.00 0.00 O ATOM 740 OE2 GLU A 49 20.525 11.039 -4.056 1.00 0.00 O ATOM 0 H GLU A 49 17.443 9.221 -3.081 1.00 0.00 H new ATOM 0 HA GLU A 49 19.776 9.201 -1.391 1.00 0.00 H new ATOM 0 HB2 GLU A 49 17.227 10.868 -1.211 1.00 0.00 H new ATOM 0 HB3 GLU A 49 18.764 11.224 -0.448 1.00 0.00 H new ATOM 0 HG2 GLU A 49 18.121 11.309 -3.420 1.00 0.00 H new ATOM 0 HG3 GLU A 49 18.505 12.665 -2.377 1.00 0.00 H new ATOM 747 N ASP A 50 19.014 8.011 0.647 1.00 0.00 N ATOM 748 CA ASP A 50 18.642 7.337 1.903 1.00 0.00 C ATOM 749 C ASP A 50 18.007 8.302 2.927 1.00 0.00 C ATOM 750 O ASP A 50 17.267 7.861 3.809 1.00 0.00 O ATOM 751 CB ASP A 50 19.852 6.568 2.501 1.00 0.00 C ATOM 752 CG ASP A 50 21.168 7.358 2.464 1.00 0.00 C ATOM 753 OD1 ASP A 50 21.313 8.342 3.215 1.00 0.00 O ATOM 754 OD2 ASP A 50 22.062 6.990 1.664 1.00 0.00 O ATOM 0 H ASP A 50 20.019 8.035 0.477 1.00 0.00 H new ATOM 0 HA ASP A 50 17.871 6.606 1.660 1.00 0.00 H new ATOM 0 HB2 ASP A 50 19.627 6.303 3.534 1.00 0.00 H new ATOM 0 HB3 ASP A 50 19.984 5.635 1.954 1.00 0.00 H new ATOM 759 N GLU A 51 18.278 9.614 2.777 1.00 0.00 N ATOM 760 CA GLU A 51 17.658 10.669 3.606 1.00 0.00 C ATOM 761 C GLU A 51 16.173 10.871 3.230 1.00 0.00 C ATOM 762 O GLU A 51 15.362 11.292 4.061 1.00 0.00 O ATOM 763 CB GLU A 51 18.431 12.007 3.434 1.00 0.00 C ATOM 764 CG GLU A 51 18.508 12.526 1.973 1.00 0.00 C ATOM 765 CD GLU A 51 19.213 13.887 1.829 1.00 0.00 C ATOM 766 OE1 GLU A 51 20.441 13.960 2.059 1.00 0.00 O ATOM 767 OE2 GLU A 51 18.550 14.887 1.463 1.00 0.00 O ATOM 0 H GLU A 51 18.931 9.972 2.080 1.00 0.00 H new ATOM 0 HA GLU A 51 17.709 10.353 4.648 1.00 0.00 H new ATOM 0 HB2 GLU A 51 17.955 12.769 4.051 1.00 0.00 H new ATOM 0 HB3 GLU A 51 19.445 11.877 3.813 1.00 0.00 H new ATOM 0 HG2 GLU A 51 19.033 11.790 1.364 1.00 0.00 H new ATOM 0 HG3 GLU A 51 17.497 12.608 1.573 1.00 0.00 H new ATOM 774 N ALA A 52 15.836 10.551 1.966 1.00 0.00 N ATOM 775 CA ALA A 52 14.502 10.783 1.392 1.00 0.00 C ATOM 776 C ALA A 52 13.561 9.595 1.657 1.00 0.00 C ATOM 777 O ALA A 52 13.994 8.439 1.642 1.00 0.00 O ATOM 778 CB ALA A 52 14.634 11.044 -0.120 1.00 0.00 C ATOM 0 H ALA A 52 16.489 10.121 1.311 1.00 0.00 H new ATOM 0 HA ALA A 52 14.064 11.657 1.874 1.00 0.00 H new ATOM 0 HB1 ALA A 52 13.646 11.216 -0.547 1.00 0.00 H new ATOM 0 HB2 ALA A 52 15.258 11.922 -0.284 1.00 0.00 H new ATOM 0 HB3 ALA A 52 15.091 10.179 -0.600 1.00 0.00 H new ATOM 784 N THR A 53 12.273 9.901 1.910 1.00 0.00 N ATOM 785 CA THR A 53 11.202 8.891 2.027 1.00 0.00 C ATOM 786 C THR A 53 10.824 8.317 0.639 1.00 0.00 C ATOM 787 O THR A 53 11.236 8.869 -0.387 1.00 0.00 O ATOM 788 CB THR A 53 9.937 9.504 2.718 1.00 0.00 C ATOM 789 OG1 THR A 53 9.508 10.680 2.006 1.00 0.00 O ATOM 790 CG2 THR A 53 10.199 9.872 4.190 1.00 0.00 C ATOM 0 H THR A 53 11.945 10.858 2.039 1.00 0.00 H new ATOM 0 HA THR A 53 11.579 8.076 2.645 1.00 0.00 H new ATOM 0 HB THR A 53 9.158 8.742 2.695 1.00 0.00 H new ATOM 0 HG1 THR A 53 8.716 11.056 2.443 1.00 0.00 H new ATOM 0 HG21 THR A 53 9.293 10.293 4.627 1.00 0.00 H new ATOM 0 HG22 THR A 53 10.487 8.978 4.743 1.00 0.00 H new ATOM 0 HG23 THR A 53 11.003 10.606 4.244 1.00 0.00 H new ATOM 798 N LEU A 54 10.037 7.210 0.614 1.00 0.00 N ATOM 799 CA LEU A 54 9.462 6.672 -0.644 1.00 0.00 C ATOM 800 C LEU A 54 8.472 7.708 -1.237 1.00 0.00 C ATOM 801 O LEU A 54 8.297 7.792 -2.458 1.00 0.00 O ATOM 802 CB LEU A 54 8.749 5.292 -0.429 1.00 0.00 C ATOM 803 CG LEU A 54 9.644 4.036 -0.112 1.00 0.00 C ATOM 804 CD1 LEU A 54 10.856 3.918 -1.069 1.00 0.00 C ATOM 805 CD2 LEU A 54 10.082 3.990 1.360 1.00 0.00 C ATOM 0 H LEU A 54 9.788 6.676 1.447 1.00 0.00 H new ATOM 0 HA LEU A 54 10.280 6.497 -1.343 1.00 0.00 H new ATOM 0 HB2 LEU A 54 8.037 5.408 0.388 1.00 0.00 H new ATOM 0 HB3 LEU A 54 8.171 5.072 -1.327 1.00 0.00 H new ATOM 0 HG LEU A 54 9.014 3.164 -0.287 1.00 0.00 H new ATOM 0 HD11 LEU A 54 11.441 3.036 -0.808 1.00 0.00 H new ATOM 0 HD12 LEU A 54 10.501 3.828 -2.096 1.00 0.00 H new ATOM 0 HD13 LEU A 54 11.480 4.807 -0.977 1.00 0.00 H new ATOM 0 HD21 LEU A 54 10.697 3.106 1.529 1.00 0.00 H new ATOM 0 HD22 LEU A 54 10.659 4.884 1.596 1.00 0.00 H new ATOM 0 HD23 LEU A 54 9.201 3.947 2.001 1.00 0.00 H new ATOM 817 N GLY A 55 7.835 8.492 -0.330 1.00 0.00 N ATOM 818 CA GLY A 55 6.964 9.612 -0.705 1.00 0.00 C ATOM 819 C GLY A 55 7.734 10.762 -1.370 1.00 0.00 C ATOM 820 O GLY A 55 7.248 11.364 -2.337 1.00 0.00 O ATOM 0 H GLY A 55 7.917 8.358 0.678 1.00 0.00 H new ATOM 0 HA2 GLY A 55 6.192 9.255 -1.387 1.00 0.00 H new ATOM 0 HA3 GLY A 55 6.456 9.986 0.184 1.00 0.00 H new ATOM 824 N GLN A 56 8.951 11.055 -0.857 1.00 0.00 N ATOM 825 CA GLN A 56 9.835 12.100 -1.433 1.00 0.00 C ATOM 826 C GLN A 56 10.399 11.623 -2.784 1.00 0.00 C ATOM 827 O GLN A 56 10.529 12.413 -3.721 1.00 0.00 O ATOM 828 CB GLN A 56 10.983 12.479 -0.454 1.00 0.00 C ATOM 829 CG GLN A 56 11.944 13.590 -0.957 1.00 0.00 C ATOM 830 CD GLN A 56 11.242 14.918 -1.286 1.00 0.00 C ATOM 831 OE1 GLN A 56 10.812 15.151 -2.421 1.00 0.00 O ATOM 832 NE2 GLN A 56 11.115 15.792 -0.300 1.00 0.00 N ATOM 0 H GLN A 56 9.346 10.583 -0.044 1.00 0.00 H new ATOM 0 HA GLN A 56 9.241 12.999 -1.596 1.00 0.00 H new ATOM 0 HB2 GLN A 56 10.542 12.802 0.489 1.00 0.00 H new ATOM 0 HB3 GLN A 56 11.568 11.584 -0.242 1.00 0.00 H new ATOM 0 HG2 GLN A 56 12.704 13.771 -0.197 1.00 0.00 H new ATOM 0 HG3 GLN A 56 12.462 13.233 -1.848 1.00 0.00 H new ATOM 0 HE21 GLN A 56 11.480 15.572 0.627 1.00 0.00 H new ATOM 0 HE22 GLN A 56 10.652 16.685 -0.467 1.00 0.00 H new ATOM 841 N CYS A 57 10.708 10.319 -2.869 1.00 0.00 N ATOM 842 CA CYS A 57 11.135 9.665 -4.121 1.00 0.00 C ATOM 843 C CYS A 57 9.994 9.636 -5.157 1.00 0.00 C ATOM 844 O CYS A 57 10.244 9.513 -6.362 1.00 0.00 O ATOM 845 CB CYS A 57 11.631 8.235 -3.826 1.00 0.00 C ATOM 846 SG CYS A 57 12.117 7.296 -5.293 1.00 0.00 S ATOM 0 H CYS A 57 10.669 9.685 -2.071 1.00 0.00 H new ATOM 0 HA CYS A 57 11.953 10.246 -4.546 1.00 0.00 H new ATOM 0 HB2 CYS A 57 12.482 8.291 -3.147 1.00 0.00 H new ATOM 0 HB3 CYS A 57 10.843 7.690 -3.305 1.00 0.00 H new ATOM 0 HG CYS A 57 11.551 7.810 -6.344 1.00 0.00 H new ATOM 852 N GLY A 58 8.742 9.741 -4.662 1.00 0.00 N ATOM 853 CA GLY A 58 7.551 9.762 -5.512 1.00 0.00 C ATOM 854 C GLY A 58 7.255 8.411 -6.133 1.00 0.00 C ATOM 855 O GLY A 58 6.557 8.324 -7.146 1.00 0.00 O ATOM 0 H GLY A 58 8.538 9.813 -3.665 1.00 0.00 H new ATOM 0 HA2 GLY A 58 6.693 10.082 -4.921 1.00 0.00 H new ATOM 0 HA3 GLY A 58 7.686 10.500 -6.303 1.00 0.00 H new ATOM 859 N VAL A 59 7.791 7.354 -5.512 1.00 0.00 N ATOM 860 CA VAL A 59 7.670 5.978 -6.003 1.00 0.00 C ATOM 861 C VAL A 59 6.426 5.311 -5.375 1.00 0.00 C ATOM 862 O VAL A 59 5.996 5.698 -4.282 1.00 0.00 O ATOM 863 CB VAL A 59 8.989 5.168 -5.699 1.00 0.00 C ATOM 864 CG1 VAL A 59 9.280 5.081 -4.182 1.00 0.00 C ATOM 865 CG2 VAL A 59 8.967 3.763 -6.341 1.00 0.00 C ATOM 0 H VAL A 59 8.326 7.431 -4.647 1.00 0.00 H new ATOM 0 HA VAL A 59 7.539 5.986 -7.085 1.00 0.00 H new ATOM 0 HB VAL A 59 9.806 5.725 -6.158 1.00 0.00 H new ATOM 0 HG11 VAL A 59 10.197 4.515 -4.019 1.00 0.00 H new ATOM 0 HG12 VAL A 59 9.397 6.086 -3.776 1.00 0.00 H new ATOM 0 HG13 VAL A 59 8.451 4.581 -3.681 1.00 0.00 H new ATOM 0 HG21 VAL A 59 9.895 3.241 -6.106 1.00 0.00 H new ATOM 0 HG22 VAL A 59 8.122 3.197 -5.948 1.00 0.00 H new ATOM 0 HG23 VAL A 59 8.869 3.859 -7.422 1.00 0.00 H new ATOM 875 N GLU A 60 5.845 4.325 -6.087 1.00 0.00 N ATOM 876 CA GLU A 60 4.606 3.633 -5.673 1.00 0.00 C ATOM 877 C GLU A 60 4.765 2.099 -5.787 1.00 0.00 C ATOM 878 O GLU A 60 5.883 1.593 -5.948 1.00 0.00 O ATOM 879 CB GLU A 60 3.420 4.156 -6.531 1.00 0.00 C ATOM 880 CG GLU A 60 3.602 4.004 -8.061 1.00 0.00 C ATOM 881 CD GLU A 60 2.456 4.641 -8.862 1.00 0.00 C ATOM 882 OE1 GLU A 60 2.475 5.873 -9.062 1.00 0.00 O ATOM 883 OE2 GLU A 60 1.525 3.921 -9.278 1.00 0.00 O ATOM 0 H GLU A 60 6.224 3.984 -6.971 1.00 0.00 H new ATOM 0 HA GLU A 60 4.400 3.850 -4.625 1.00 0.00 H new ATOM 0 HB2 GLU A 60 2.515 3.626 -6.234 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.263 5.210 -6.302 1.00 0.00 H new ATOM 0 HG2 GLU A 60 4.545 4.462 -8.358 1.00 0.00 H new ATOM 0 HG3 GLU A 60 3.670 2.945 -8.311 1.00 0.00 H new ATOM 890 N ALA A 61 3.637 1.366 -5.674 1.00 0.00 N ATOM 891 CA ALA A 61 3.612 -0.106 -5.744 1.00 0.00 C ATOM 892 C ALA A 61 3.964 -0.638 -7.155 1.00 0.00 C ATOM 893 O ALA A 61 4.050 0.127 -8.121 1.00 0.00 O ATOM 894 CB ALA A 61 2.234 -0.610 -5.294 1.00 0.00 C ATOM 0 H ALA A 61 2.717 1.782 -5.531 1.00 0.00 H new ATOM 0 HA ALA A 61 4.380 -0.490 -5.073 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.211 -1.699 -5.344 1.00 0.00 H new ATOM 0 HB2 ALA A 61 2.046 -0.290 -4.269 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.465 -0.200 -5.949 1.00 0.00 H new ATOM 900 N LEU A 62 4.219 -1.967 -7.222 1.00 0.00 N ATOM 901 CA LEU A 62 4.614 -2.732 -8.447 1.00 0.00 C ATOM 902 C LEU A 62 6.023 -2.377 -8.975 1.00 0.00 C ATOM 903 O LEU A 62 6.506 -3.029 -9.909 1.00 0.00 O ATOM 904 CB LEU A 62 3.551 -2.649 -9.600 1.00 0.00 C ATOM 905 CG LEU A 62 2.218 -3.462 -9.407 1.00 0.00 C ATOM 906 CD1 LEU A 62 2.501 -4.959 -9.124 1.00 0.00 C ATOM 907 CD2 LEU A 62 1.310 -2.838 -8.326 1.00 0.00 C ATOM 0 H LEU A 62 4.155 -2.565 -6.398 1.00 0.00 H new ATOM 0 HA LEU A 62 4.652 -3.768 -8.111 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.290 -1.601 -9.744 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.024 -2.989 -10.521 1.00 0.00 H new ATOM 0 HG LEU A 62 1.671 -3.406 -10.348 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.558 -5.490 -8.996 1.00 0.00 H new ATOM 0 HD12 LEU A 62 3.049 -5.390 -9.962 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.095 -5.051 -8.215 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.402 -3.432 -8.227 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.838 -2.821 -7.373 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.048 -1.820 -8.614 1.00 0.00 H new ATOM 919 N THR A 63 6.678 -1.374 -8.369 1.00 0.00 N ATOM 920 CA THR A 63 8.028 -0.944 -8.737 1.00 0.00 C ATOM 921 C THR A 63 9.070 -1.928 -8.160 1.00 0.00 C ATOM 922 O THR A 63 8.800 -2.605 -7.175 1.00 0.00 O ATOM 923 CB THR A 63 8.285 0.504 -8.201 1.00 0.00 C ATOM 924 OG1 THR A 63 7.240 1.381 -8.663 1.00 0.00 O ATOM 925 CG2 THR A 63 9.647 1.070 -8.653 1.00 0.00 C ATOM 0 H THR A 63 6.277 -0.835 -7.601 1.00 0.00 H new ATOM 0 HA THR A 63 8.122 -0.938 -9.823 1.00 0.00 H new ATOM 0 HB THR A 63 8.293 0.446 -7.113 1.00 0.00 H new ATOM 0 HG1 THR A 63 6.633 1.586 -7.921 1.00 0.00 H new ATOM 0 HG21 THR A 63 9.774 2.076 -8.253 1.00 0.00 H new ATOM 0 HG22 THR A 63 10.448 0.429 -8.284 1.00 0.00 H new ATOM 0 HG23 THR A 63 9.683 1.105 -9.742 1.00 0.00 H new ATOM 933 N THR A 64 10.239 -2.022 -8.806 1.00 0.00 N ATOM 934 CA THR A 64 11.366 -2.837 -8.338 1.00 0.00 C ATOM 935 C THR A 64 12.584 -1.933 -8.075 1.00 0.00 C ATOM 936 O THR A 64 13.171 -1.354 -9.002 1.00 0.00 O ATOM 937 CB THR A 64 11.723 -3.975 -9.353 1.00 0.00 C ATOM 938 OG1 THR A 64 10.566 -4.813 -9.561 1.00 0.00 O ATOM 939 CG2 THR A 64 12.900 -4.854 -8.867 1.00 0.00 C ATOM 0 H THR A 64 10.431 -1.529 -9.678 1.00 0.00 H new ATOM 0 HA THR A 64 11.073 -3.323 -7.408 1.00 0.00 H new ATOM 0 HB THR A 64 12.028 -3.495 -10.283 1.00 0.00 H new ATOM 0 HG1 THR A 64 10.788 -5.525 -10.197 1.00 0.00 H new ATOM 0 HG21 THR A 64 13.107 -5.627 -9.607 1.00 0.00 H new ATOM 0 HG22 THR A 64 13.786 -4.234 -8.733 1.00 0.00 H new ATOM 0 HG23 THR A 64 12.637 -5.321 -7.918 1.00 0.00 H new ATOM 947 N LEU A 65 12.907 -1.793 -6.790 1.00 0.00 N ATOM 948 CA LEU A 65 14.121 -1.125 -6.313 1.00 0.00 C ATOM 949 C LEU A 65 15.248 -2.167 -6.272 1.00 0.00 C ATOM 950 O LEU A 65 14.977 -3.320 -5.979 1.00 0.00 O ATOM 951 CB LEU A 65 13.846 -0.545 -4.905 1.00 0.00 C ATOM 952 CG LEU A 65 12.653 0.470 -4.796 1.00 0.00 C ATOM 953 CD1 LEU A 65 12.456 0.950 -3.337 1.00 0.00 C ATOM 954 CD2 LEU A 65 12.830 1.673 -5.764 1.00 0.00 C ATOM 0 H LEU A 65 12.321 -2.148 -6.034 1.00 0.00 H new ATOM 0 HA LEU A 65 14.414 -0.307 -6.971 1.00 0.00 H new ATOM 0 HB2 LEU A 65 13.654 -1.374 -4.224 1.00 0.00 H new ATOM 0 HB3 LEU A 65 14.751 -0.049 -4.556 1.00 0.00 H new ATOM 0 HG LEU A 65 11.750 -0.060 -5.099 1.00 0.00 H new ATOM 0 HD11 LEU A 65 11.623 1.652 -3.294 1.00 0.00 H new ATOM 0 HD12 LEU A 65 12.242 0.093 -2.698 1.00 0.00 H new ATOM 0 HD13 LEU A 65 13.364 1.443 -2.991 1.00 0.00 H new ATOM 0 HD21 LEU A 65 11.984 2.352 -5.658 1.00 0.00 H new ATOM 0 HD22 LEU A 65 13.752 2.201 -5.523 1.00 0.00 H new ATOM 0 HD23 LEU A 65 12.878 1.310 -6.791 1.00 0.00 H new ATOM 966 N GLU A 66 16.491 -1.777 -6.576 1.00 0.00 N ATOM 967 CA GLU A 66 17.626 -2.721 -6.665 1.00 0.00 C ATOM 968 C GLU A 66 18.696 -2.392 -5.610 1.00 0.00 C ATOM 969 O GLU A 66 19.226 -1.289 -5.584 1.00 0.00 O ATOM 970 CB GLU A 66 18.229 -2.674 -8.090 1.00 0.00 C ATOM 971 CG GLU A 66 19.393 -3.657 -8.327 1.00 0.00 C ATOM 972 CD GLU A 66 19.966 -3.569 -9.748 1.00 0.00 C ATOM 973 OE1 GLU A 66 20.716 -2.616 -10.033 1.00 0.00 O ATOM 974 OE2 GLU A 66 19.651 -4.434 -10.592 1.00 0.00 O ATOM 0 H GLU A 66 16.744 -0.808 -6.767 1.00 0.00 H new ATOM 0 HA GLU A 66 17.263 -3.729 -6.466 1.00 0.00 H new ATOM 0 HB2 GLU A 66 17.440 -2.885 -8.811 1.00 0.00 H new ATOM 0 HB3 GLU A 66 18.580 -1.661 -8.289 1.00 0.00 H new ATOM 0 HG2 GLU A 66 20.186 -3.454 -7.607 1.00 0.00 H new ATOM 0 HG3 GLU A 66 19.047 -4.674 -8.142 1.00 0.00 H new ATOM 981 N VAL A 67 19.002 -3.363 -4.736 1.00 0.00 N ATOM 982 CA VAL A 67 20.095 -3.242 -3.763 1.00 0.00 C ATOM 983 C VAL A 67 21.429 -3.625 -4.422 1.00 0.00 C ATOM 984 O VAL A 67 21.621 -4.772 -4.850 1.00 0.00 O ATOM 985 CB VAL A 67 19.835 -4.121 -2.485 1.00 0.00 C ATOM 986 CG1 VAL A 67 21.062 -4.157 -1.533 1.00 0.00 C ATOM 987 CG2 VAL A 67 18.581 -3.610 -1.741 1.00 0.00 C ATOM 0 H VAL A 67 18.500 -4.250 -4.685 1.00 0.00 H new ATOM 0 HA VAL A 67 20.143 -2.203 -3.437 1.00 0.00 H new ATOM 0 HB VAL A 67 19.665 -5.145 -2.818 1.00 0.00 H new ATOM 0 HG11 VAL A 67 20.832 -4.777 -0.666 1.00 0.00 H new ATOM 0 HG12 VAL A 67 21.920 -4.575 -2.060 1.00 0.00 H new ATOM 0 HG13 VAL A 67 21.297 -3.145 -1.203 1.00 0.00 H new ATOM 0 HG21 VAL A 67 18.407 -4.224 -0.857 1.00 0.00 H new ATOM 0 HG22 VAL A 67 18.734 -2.574 -1.439 1.00 0.00 H new ATOM 0 HG23 VAL A 67 17.716 -3.672 -2.401 1.00 0.00 H new ATOM 997 N ALA A 68 22.319 -2.635 -4.505 1.00 0.00 N ATOM 998 CA ALA A 68 23.672 -2.775 -5.060 1.00 0.00 C ATOM 999 C ALA A 68 24.709 -2.329 -4.019 1.00 0.00 C ATOM 1000 O ALA A 68 24.355 -1.706 -3.007 1.00 0.00 O ATOM 1001 CB ALA A 68 23.790 -1.952 -6.347 1.00 0.00 C ATOM 0 H ALA A 68 22.117 -1.689 -4.181 1.00 0.00 H new ATOM 0 HA ALA A 68 23.863 -3.820 -5.304 1.00 0.00 H new ATOM 0 HB1 ALA A 68 24.795 -2.058 -6.756 1.00 0.00 H new ATOM 0 HB2 ALA A 68 23.062 -2.309 -7.075 1.00 0.00 H new ATOM 0 HB3 ALA A 68 23.597 -0.902 -6.126 1.00 0.00 H new ATOM 1007 N GLY A 69 25.988 -2.644 -4.274 1.00 0.00 N ATOM 1008 CA GLY A 69 27.081 -2.237 -3.395 1.00 0.00 C ATOM 1009 C GLY A 69 28.006 -1.240 -4.081 1.00 0.00 C ATOM 1010 O GLY A 69 28.982 -1.636 -4.731 1.00 0.00 O ATOM 0 H GLY A 69 26.286 -3.182 -5.088 1.00 0.00 H new ATOM 0 HA2 GLY A 69 26.673 -1.792 -2.487 1.00 0.00 H new ATOM 0 HA3 GLY A 69 27.651 -3.115 -3.091 1.00 0.00 H new ATOM 1014 N ARG A 70 27.678 0.058 -3.951 1.00 0.00 N ATOM 1015 CA ARG A 70 28.495 1.173 -4.485 1.00 0.00 C ATOM 1016 C ARG A 70 29.154 1.935 -3.324 1.00 0.00 C ATOM 1017 O ARG A 70 30.295 2.407 -3.437 1.00 0.00 O ATOM 1018 CB ARG A 70 27.620 2.131 -5.353 1.00 0.00 C ATOM 1019 CG ARG A 70 27.210 1.556 -6.732 1.00 0.00 C ATOM 1020 CD ARG A 70 28.429 1.286 -7.643 1.00 0.00 C ATOM 1021 NE ARG A 70 28.035 0.853 -8.998 1.00 0.00 N ATOM 1022 CZ ARG A 70 28.882 0.574 -10.003 1.00 0.00 C ATOM 1023 NH1 ARG A 70 30.192 0.677 -9.844 1.00 0.00 N ATOM 1024 NH2 ARG A 70 28.402 0.204 -11.179 1.00 0.00 N ATOM 0 H ARG A 70 26.834 0.369 -3.470 1.00 0.00 H new ATOM 0 HA ARG A 70 29.277 0.764 -5.125 1.00 0.00 H new ATOM 0 HB2 ARG A 70 26.718 2.383 -4.796 1.00 0.00 H new ATOM 0 HB3 ARG A 70 28.168 3.060 -5.510 1.00 0.00 H new ATOM 0 HG2 ARG A 70 26.656 0.629 -6.586 1.00 0.00 H new ATOM 0 HG3 ARG A 70 26.536 2.255 -7.228 1.00 0.00 H new ATOM 0 HD2 ARG A 70 29.033 2.191 -7.715 1.00 0.00 H new ATOM 0 HD3 ARG A 70 29.056 0.520 -7.188 1.00 0.00 H new ATOM 0 HE ARG A 70 27.037 0.758 -9.187 1.00 0.00 H new ATOM 0 HH11 ARG A 70 30.575 0.973 -8.946 1.00 0.00 H new ATOM 0 HH12 ARG A 70 30.818 0.461 -10.619 1.00 0.00 H new ATOM 0 HH21 ARG A 70 27.394 0.132 -11.319 1.00 0.00 H new ATOM 0 HH22 ARG A 70 29.040 -0.009 -11.946 1.00 0.00 H new ATOM 1038 N MET A 71 28.412 2.051 -2.212 1.00 0.00 N ATOM 1039 CA MET A 71 28.906 2.665 -0.966 1.00 0.00 C ATOM 1040 C MET A 71 29.703 1.610 -0.160 1.00 0.00 C ATOM 1041 O MET A 71 29.404 0.415 -0.252 1.00 0.00 O ATOM 1042 CB MET A 71 27.692 3.226 -0.160 1.00 0.00 C ATOM 1043 CG MET A 71 28.047 4.070 1.071 1.00 0.00 C ATOM 1044 SD MET A 71 26.592 4.794 1.882 1.00 0.00 S ATOM 1045 CE MET A 71 25.872 5.817 0.589 1.00 0.00 C ATOM 0 H MET A 71 27.449 1.721 -2.150 1.00 0.00 H new ATOM 0 HA MET A 71 29.578 3.495 -1.181 1.00 0.00 H new ATOM 0 HB2 MET A 71 27.083 3.832 -0.830 1.00 0.00 H new ATOM 0 HB3 MET A 71 27.074 2.388 0.162 1.00 0.00 H new ATOM 0 HG2 MET A 71 28.583 3.448 1.788 1.00 0.00 H new ATOM 0 HG3 MET A 71 28.725 4.870 0.773 1.00 0.00 H new ATOM 0 HE1 MET A 71 25.190 6.541 1.035 1.00 0.00 H new ATOM 0 HE2 MET A 71 26.665 6.345 0.059 1.00 0.00 H new ATOM 0 HE3 MET A 71 25.325 5.186 -0.111 1.00 0.00 H new