USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 610 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 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= 0.0046 X(o=0.0046,f=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.504 K(o=-0.5,f=-3.9!) USER MOD Single : A 17 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0597) USER MOD Single : A 18 ASN :FLIP amide:sc= -0.0116 F(o=-0.76,f=-0.012) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 CYS SG : rot -149:sc= -0.389 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.0811 USER MOD Single : A 39 LYS NZ :NH3+ 146:sc= 0 (180deg=-0.468) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl 155:sc= -2.82! (180deg=-5.03!) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.078) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.781 USER MOD Single : A 58 GLN :FLIP amide:sc= -0.444 F(o=-1.1,f=-0.44) USER MOD Single : A 60 MET CE :methyl 171:sc= -0.0424 (180deg=-0.101) USER MOD Single : A 69 SER OG : rot -84:sc= 0.651 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl 157:sc= -1.89! (180deg=-3.61!) USER MOD Single : A 81 MET CE :methyl -128:sc= -0.0396 (180deg=-0.325) USER MOD Single : A 84 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 46 N ILE A 4 9.401 -5.569 -17.680 1.00 0.00 N ATOM 47 CA ILE A 4 8.162 -6.176 -17.175 1.00 0.00 C ATOM 48 C ILE A 4 7.002 -5.180 -17.246 1.00 0.00 C ATOM 49 O ILE A 4 5.843 -5.575 -17.381 1.00 0.00 O ATOM 50 CB ILE A 4 8.330 -6.677 -15.729 1.00 0.00 C ATOM 51 CG1 ILE A 4 8.569 -5.498 -14.772 1.00 0.00 C ATOM 52 CG2 ILE A 4 9.520 -7.637 -15.658 1.00 0.00 C ATOM 53 CD1 ILE A 4 7.226 -4.924 -14.312 1.00 0.00 C ATOM 0 HA ILE A 4 7.937 -7.032 -17.811 1.00 0.00 H new ATOM 0 HB ILE A 4 7.417 -7.192 -15.430 1.00 0.00 H new ATOM 0 HG12 ILE A 4 9.148 -5.829 -13.910 1.00 0.00 H new ATOM 0 HG13 ILE A 4 9.154 -4.725 -15.271 1.00 0.00 H new ATOM 0 HG21 ILE A 4 9.640 -7.993 -14.635 1.00 0.00 H new ATOM 0 HG22 ILE A 4 9.343 -8.486 -16.319 1.00 0.00 H new ATOM 0 HG23 ILE A 4 10.426 -7.117 -15.970 1.00 0.00 H new ATOM 0 HD11 ILE A 4 7.400 -4.089 -13.634 1.00 0.00 H new ATOM 0 HD12 ILE A 4 6.663 -4.577 -15.178 1.00 0.00 H new ATOM 0 HD13 ILE A 4 6.657 -5.698 -13.796 1.00 0.00 H new ATOM 65 N TYR A 5 7.328 -3.883 -17.167 1.00 0.00 N ATOM 66 CA TYR A 5 6.309 -2.834 -17.239 1.00 0.00 C ATOM 67 C TYR A 5 5.716 -2.779 -18.643 1.00 0.00 C ATOM 68 O TYR A 5 4.525 -2.515 -18.818 1.00 0.00 O ATOM 69 CB TYR A 5 6.914 -1.468 -16.902 1.00 0.00 C ATOM 70 CG TYR A 5 7.479 -1.499 -15.504 1.00 0.00 C ATOM 71 CD1 TYR A 5 6.618 -1.462 -14.402 1.00 0.00 C ATOM 72 CD2 TYR A 5 8.862 -1.571 -15.310 1.00 0.00 C ATOM 73 CE1 TYR A 5 7.143 -1.496 -13.105 1.00 0.00 C ATOM 74 CE2 TYR A 5 9.387 -1.605 -14.015 1.00 0.00 C ATOM 75 CZ TYR A 5 8.528 -1.567 -12.911 1.00 0.00 C ATOM 76 OH TYR A 5 9.045 -1.601 -11.631 1.00 0.00 O ATOM 0 H TYR A 5 8.282 -3.540 -17.054 1.00 0.00 H new ATOM 0 HA TYR A 5 5.529 -3.069 -16.515 1.00 0.00 H new ATOM 0 HB2 TYR A 5 7.698 -1.219 -17.617 1.00 0.00 H new ATOM 0 HB3 TYR A 5 6.153 -0.692 -16.981 1.00 0.00 H new ATOM 0 HD1 TYR A 5 5.550 -1.407 -14.552 1.00 0.00 H new ATOM 0 HD2 TYR A 5 9.525 -1.600 -16.162 1.00 0.00 H new ATOM 0 HE1 TYR A 5 6.480 -1.467 -12.253 1.00 0.00 H new ATOM 0 HE2 TYR A 5 10.455 -1.661 -13.867 1.00 0.00 H new ATOM 0 HH TYR A 5 10.023 -1.651 -11.674 1.00 0.00 H new ATOM 86 N LYS A 6 6.564 -3.047 -19.639 1.00 0.00 N ATOM 87 CA LYS A 6 6.124 -3.044 -21.038 1.00 0.00 C ATOM 88 C LYS A 6 5.255 -4.266 -21.301 1.00 0.00 C ATOM 89 O LYS A 6 4.226 -4.183 -21.975 1.00 0.00 O ATOM 90 CB LYS A 6 7.325 -3.066 -21.999 1.00 0.00 C ATOM 91 CG LYS A 6 8.389 -2.053 -21.552 1.00 0.00 C ATOM 92 CD LYS A 6 7.723 -0.731 -21.152 1.00 0.00 C ATOM 93 CE LYS A 6 8.722 0.131 -20.377 1.00 0.00 C ATOM 94 NZ LYS A 6 8.418 1.575 -20.600 1.00 0.00 N ATOM 0 H LYS A 6 7.551 -3.267 -19.506 1.00 0.00 H new ATOM 0 HA LYS A 6 5.555 -2.131 -21.212 1.00 0.00 H new ATOM 0 HB2 LYS A 6 7.756 -4.067 -22.029 1.00 0.00 H new ATOM 0 HB3 LYS A 6 6.993 -2.832 -23.011 1.00 0.00 H new ATOM 0 HG2 LYS A 6 8.953 -2.454 -20.710 1.00 0.00 H new ATOM 0 HG3 LYS A 6 9.101 -1.881 -22.360 1.00 0.00 H new ATOM 0 HD2 LYS A 6 7.382 -0.200 -22.041 1.00 0.00 H new ATOM 0 HD3 LYS A 6 6.843 -0.926 -20.539 1.00 0.00 H new ATOM 0 HE2 LYS A 6 8.670 -0.102 -19.313 1.00 0.00 H new ATOM 0 HE3 LYS A 6 9.738 -0.091 -20.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 9.098 2.158 -20.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 8.489 1.792 -21.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 7.454 1.782 -20.269 1.00 0.00 H new ATOM 108 N ALA A 7 5.678 -5.399 -20.737 1.00 0.00 N ATOM 109 CA ALA A 7 4.933 -6.647 -20.884 1.00 0.00 C ATOM 110 C ALA A 7 3.582 -6.538 -20.174 1.00 0.00 C ATOM 111 O ALA A 7 2.573 -7.051 -20.658 1.00 0.00 O ATOM 112 CB ALA A 7 5.721 -7.818 -20.289 1.00 0.00 C ATOM 0 H ALA A 7 6.528 -5.476 -20.178 1.00 0.00 H new ATOM 0 HA ALA A 7 4.775 -6.827 -21.947 1.00 0.00 H new ATOM 0 HB1 ALA A 7 5.150 -8.739 -20.408 1.00 0.00 H new ATOM 0 HB2 ALA A 7 6.676 -7.914 -20.806 1.00 0.00 H new ATOM 0 HB3 ALA A 7 5.899 -7.636 -19.229 1.00 0.00 H new ATOM 118 N ALA A 8 3.574 -5.851 -19.023 1.00 0.00 N ATOM 119 CA ALA A 8 2.344 -5.667 -18.252 1.00 0.00 C ATOM 120 C ALA A 8 1.398 -4.684 -18.947 1.00 0.00 C ATOM 121 O ALA A 8 0.183 -4.771 -18.785 1.00 0.00 O ATOM 122 CB ALA A 8 2.663 -5.138 -16.854 1.00 0.00 C ATOM 0 H ALA A 8 4.400 -5.418 -18.611 1.00 0.00 H new ATOM 0 HA ALA A 8 1.857 -6.640 -18.177 1.00 0.00 H new ATOM 0 HB1 ALA A 8 1.737 -5.007 -16.294 1.00 0.00 H new ATOM 0 HB2 ALA A 8 3.304 -5.849 -16.333 1.00 0.00 H new ATOM 0 HB3 ALA A 8 3.176 -4.180 -16.936 1.00 0.00 H new ATOM 128 N VAL A 9 1.967 -3.746 -19.717 1.00 0.00 N ATOM 129 CA VAL A 9 1.158 -2.748 -20.426 1.00 0.00 C ATOM 130 C VAL A 9 0.182 -3.425 -21.398 1.00 0.00 C ATOM 131 O VAL A 9 -0.983 -3.040 -21.487 1.00 0.00 O ATOM 132 CB VAL A 9 2.073 -1.775 -21.194 1.00 0.00 C ATOM 133 CG1 VAL A 9 1.339 -1.182 -22.401 1.00 0.00 C ATOM 134 CG2 VAL A 9 2.507 -0.640 -20.260 1.00 0.00 C ATOM 0 H VAL A 9 2.973 -3.658 -19.863 1.00 0.00 H new ATOM 0 HA VAL A 9 0.579 -2.191 -19.689 1.00 0.00 H new ATOM 0 HB VAL A 9 2.946 -2.323 -21.548 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.002 -0.498 -22.930 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.035 -1.985 -23.073 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.456 -0.641 -22.060 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.155 0.049 -20.802 1.00 0.00 H new ATOM 0 HG22 VAL A 9 1.626 -0.106 -19.903 1.00 0.00 H new ATOM 0 HG23 VAL A 9 3.049 -1.055 -19.410 1.00 0.00 H new ATOM 144 N GLU A 10 0.669 -4.429 -22.126 1.00 0.00 N ATOM 145 CA GLU A 10 -0.175 -5.145 -23.088 1.00 0.00 C ATOM 146 C GLU A 10 -1.048 -6.210 -22.402 1.00 0.00 C ATOM 147 O GLU A 10 -1.830 -6.893 -23.067 1.00 0.00 O ATOM 148 CB GLU A 10 0.691 -5.825 -24.154 1.00 0.00 C ATOM 149 CG GLU A 10 1.098 -4.800 -25.216 1.00 0.00 C ATOM 150 CD GLU A 10 1.737 -5.518 -26.400 1.00 0.00 C ATOM 151 OE1 GLU A 10 2.944 -5.702 -26.377 1.00 0.00 O ATOM 152 OE2 GLU A 10 1.012 -5.875 -27.314 1.00 0.00 O ATOM 0 H GLU A 10 1.631 -4.764 -22.071 1.00 0.00 H new ATOM 0 HA GLU A 10 -0.829 -4.406 -23.551 1.00 0.00 H new ATOM 0 HB2 GLU A 10 1.579 -6.258 -23.693 1.00 0.00 H new ATOM 0 HB3 GLU A 10 0.140 -6.644 -24.617 1.00 0.00 H new ATOM 0 HG2 GLU A 10 0.225 -4.237 -25.547 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.799 -4.081 -24.792 1.00 0.00 H new ATOM 159 N GLN A 11 -0.903 -6.361 -21.076 1.00 0.00 N ATOM 160 CA GLN A 11 -1.677 -7.360 -20.337 1.00 0.00 C ATOM 161 C GLN A 11 -2.687 -6.721 -19.377 1.00 0.00 C ATOM 162 O GLN A 11 -3.675 -7.356 -19.003 1.00 0.00 O ATOM 163 CB GLN A 11 -0.738 -8.252 -19.524 1.00 0.00 C ATOM 164 CG GLN A 11 0.328 -8.847 -20.444 1.00 0.00 C ATOM 165 CD GLN A 11 -0.234 -10.072 -21.162 1.00 0.00 C ATOM 166 OE1 GLN A 11 -0.179 -11.184 -20.638 1.00 0.00 O ATOM 167 NE2 GLN A 11 -0.777 -9.933 -22.341 1.00 0.00 N ATOM 0 H GLN A 11 -0.264 -5.810 -20.503 1.00 0.00 H new ATOM 0 HA GLN A 11 -2.225 -7.944 -21.076 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -0.266 -7.673 -18.731 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -1.304 -9.050 -19.043 1.00 0.00 H new ATOM 0 HG2 GLN A 11 0.649 -8.103 -21.173 1.00 0.00 H new ATOM 0 HG3 GLN A 11 1.208 -9.126 -19.864 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -0.823 -9.012 -22.776 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -1.155 -10.746 -22.827 1.00 0.00 H new ATOM 176 N LEU A 12 -2.431 -5.473 -18.967 1.00 0.00 N ATOM 177 CA LEU A 12 -3.332 -4.789 -18.033 1.00 0.00 C ATOM 178 C LEU A 12 -4.723 -4.607 -18.644 1.00 0.00 C ATOM 179 O LEU A 12 -4.891 -4.612 -19.866 1.00 0.00 O ATOM 180 CB LEU A 12 -2.776 -3.417 -17.613 1.00 0.00 C ATOM 181 CG LEU A 12 -2.137 -2.569 -18.723 1.00 0.00 C ATOM 182 CD1 LEU A 12 -3.158 -2.307 -19.832 1.00 0.00 C ATOM 183 CD2 LEU A 12 -1.672 -1.234 -18.136 1.00 0.00 C ATOM 0 H LEU A 12 -1.623 -4.925 -19.261 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.409 -5.420 -17.148 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.588 -2.841 -17.168 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.032 -3.575 -16.832 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.285 -3.106 -19.140 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.698 -1.705 -20.616 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.491 -3.256 -20.252 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.014 -1.773 -19.420 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.218 -0.630 -18.921 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.527 -0.703 -17.718 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.939 -1.418 -17.350 1.00 0.00 H new ATOM 195 N THR A 13 -5.719 -4.454 -17.771 1.00 0.00 N ATOM 196 CA THR A 13 -7.102 -4.275 -18.217 1.00 0.00 C ATOM 197 C THR A 13 -7.727 -3.046 -17.564 1.00 0.00 C ATOM 198 O THR A 13 -7.176 -2.473 -16.624 1.00 0.00 O ATOM 199 CB THR A 13 -7.956 -5.504 -17.864 1.00 0.00 C ATOM 200 OG1 THR A 13 -7.448 -6.124 -16.688 1.00 0.00 O ATOM 201 CG2 THR A 13 -7.927 -6.500 -19.022 1.00 0.00 C ATOM 0 H THR A 13 -5.596 -4.450 -16.758 1.00 0.00 H new ATOM 0 HA THR A 13 -7.079 -4.145 -19.299 1.00 0.00 H new ATOM 0 HB THR A 13 -8.983 -5.186 -17.686 1.00 0.00 H new ATOM 0 HG1 THR A 13 -7.997 -6.905 -16.467 1.00 0.00 H new ATOM 0 HG21 THR A 13 -8.533 -7.370 -18.769 1.00 0.00 H new ATOM 0 HG22 THR A 13 -8.327 -6.027 -19.919 1.00 0.00 H new ATOM 0 HG23 THR A 13 -6.900 -6.815 -19.206 1.00 0.00 H new ATOM 209 N ASP A 14 -8.900 -2.660 -18.066 1.00 0.00 N ATOM 210 CA ASP A 14 -9.618 -1.510 -17.516 1.00 0.00 C ATOM 211 C ASP A 14 -10.144 -1.838 -16.117 1.00 0.00 C ATOM 212 O ASP A 14 -10.259 -0.959 -15.261 1.00 0.00 O ATOM 213 CB ASP A 14 -10.800 -1.136 -18.415 1.00 0.00 C ATOM 214 CG ASP A 14 -10.286 -0.649 -19.768 1.00 0.00 C ATOM 215 OD1 ASP A 14 -10.007 0.533 -19.885 1.00 0.00 O ATOM 216 OD2 ASP A 14 -10.179 -1.468 -20.667 1.00 0.00 O ATOM 0 H ASP A 14 -9.370 -3.121 -18.845 1.00 0.00 H new ATOM 0 HA ASP A 14 -8.925 -0.671 -17.462 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -11.452 -1.999 -18.552 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -11.398 -0.357 -17.941 1.00 0.00 H new ATOM 221 N GLU A 15 -10.460 -3.122 -15.901 1.00 0.00 N ATOM 222 CA GLU A 15 -10.974 -3.581 -14.607 1.00 0.00 C ATOM 223 C GLU A 15 -9.926 -3.424 -13.500 1.00 0.00 C ATOM 224 O GLU A 15 -10.267 -3.101 -12.361 1.00 0.00 O ATOM 225 CB GLU A 15 -11.387 -5.054 -14.690 1.00 0.00 C ATOM 226 CG GLU A 15 -12.730 -5.174 -15.420 1.00 0.00 C ATOM 227 CD GLU A 15 -13.050 -6.647 -15.659 1.00 0.00 C ATOM 228 OE1 GLU A 15 -12.629 -7.167 -16.680 1.00 0.00 O ATOM 229 OE2 GLU A 15 -13.713 -7.233 -14.818 1.00 0.00 O ATOM 0 H GLU A 15 -10.369 -3.857 -16.603 1.00 0.00 H new ATOM 0 HA GLU A 15 -11.839 -2.964 -14.364 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -10.623 -5.627 -15.217 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -11.468 -5.476 -13.688 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -13.520 -4.711 -14.829 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -12.688 -4.641 -16.370 1.00 0.00 H new ATOM 236 N GLN A 16 -8.649 -3.657 -13.839 1.00 0.00 N ATOM 237 CA GLN A 16 -7.571 -3.538 -12.847 1.00 0.00 C ATOM 238 C GLN A 16 -7.441 -2.095 -12.346 1.00 0.00 C ATOM 239 O GLN A 16 -7.116 -1.865 -11.180 1.00 0.00 O ATOM 240 CB GLN A 16 -6.224 -4.028 -13.426 1.00 0.00 C ATOM 241 CG GLN A 16 -5.566 -2.948 -14.299 1.00 0.00 C ATOM 242 CD GLN A 16 -4.401 -2.306 -13.546 1.00 0.00 C ATOM 243 OE1 GLN A 16 -4.605 -1.525 -12.617 1.00 0.00 O ATOM 244 NE2 GLN A 16 -3.176 -2.588 -13.901 1.00 0.00 N ATOM 0 H GLN A 16 -8.342 -3.924 -14.774 1.00 0.00 H new ATOM 0 HA GLN A 16 -7.832 -4.174 -12.001 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -5.553 -4.299 -12.611 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -6.386 -4.929 -14.018 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -5.209 -3.389 -15.230 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -6.300 -2.188 -14.567 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -3.004 -3.235 -14.671 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -2.391 -2.161 -13.409 1.00 0.00 H new ATOM 253 N LYS A 17 -7.713 -1.130 -13.230 1.00 0.00 N ATOM 254 CA LYS A 17 -7.635 0.282 -12.854 1.00 0.00 C ATOM 255 C LYS A 17 -8.949 0.745 -12.221 1.00 0.00 C ATOM 256 O LYS A 17 -8.973 1.722 -11.476 1.00 0.00 O ATOM 257 CB LYS A 17 -7.329 1.154 -14.073 1.00 0.00 C ATOM 258 CG LYS A 17 -5.816 1.378 -14.168 1.00 0.00 C ATOM 259 CD LYS A 17 -5.233 0.485 -15.268 1.00 0.00 C ATOM 260 CE LYS A 17 -5.120 1.279 -16.574 1.00 0.00 C ATOM 261 NZ LYS A 17 -6.355 1.087 -17.388 1.00 0.00 N ATOM 0 H LYS A 17 -7.986 -1.299 -14.198 1.00 0.00 H new ATOM 0 HA LYS A 17 -6.828 0.387 -12.129 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -7.695 0.673 -14.980 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -7.845 2.110 -13.989 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.606 2.425 -14.386 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.344 1.151 -13.212 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.251 0.117 -14.969 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.869 -0.388 -15.416 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -4.977 2.337 -16.356 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.247 0.949 -17.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -6.228 1.528 -18.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -6.537 0.070 -17.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -7.162 1.529 -16.904 1.00 0.00 H new ATOM 275 N ASN A 18 -10.040 0.022 -12.510 1.00 0.00 N ATOM 276 CA ASN A 18 -11.345 0.358 -11.947 1.00 0.00 C ATOM 277 C ASN A 18 -11.359 0.007 -10.456 1.00 0.00 C ATOM 278 O ASN A 18 -11.827 0.790 -9.627 1.00 0.00 O ATOM 279 CB ASN A 18 -12.450 -0.403 -12.703 1.00 0.00 C ATOM 280 CG ASN A 18 -13.525 -0.912 -11.744 1.00 0.00 C ATOM 281 OD1 ASN A 18 -13.468 -2.145 -11.329 1.00 0.00 O flip ATOM 282 ND2 ASN A 18 -14.434 -0.171 -11.367 1.00 0.00 N flip ATOM 0 H ASN A 18 -10.041 -0.791 -13.125 1.00 0.00 H new ATOM 0 HA ASN A 18 -11.532 1.426 -12.056 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -12.903 0.252 -13.447 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -12.013 -1.243 -13.243 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -14.474 0.794 -11.695 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -15.146 -0.522 -10.727 1.00 0.00 H new ATOM 289 N GLU A 19 -10.816 -1.172 -10.127 1.00 0.00 N ATOM 290 CA GLU A 19 -10.745 -1.611 -8.729 1.00 0.00 C ATOM 291 C GLU A 19 -9.739 -0.746 -7.978 1.00 0.00 C ATOM 292 O GLU A 19 -9.984 -0.317 -6.850 1.00 0.00 O ATOM 293 CB GLU A 19 -10.301 -3.075 -8.632 1.00 0.00 C ATOM 294 CG GLU A 19 -11.304 -3.973 -9.360 1.00 0.00 C ATOM 295 CD GLU A 19 -12.531 -4.197 -8.479 1.00 0.00 C ATOM 296 OE1 GLU A 19 -13.451 -3.399 -8.560 1.00 0.00 O ATOM 297 OE2 GLU A 19 -12.532 -5.165 -7.735 1.00 0.00 O ATOM 0 H GLU A 19 -10.424 -1.831 -10.800 1.00 0.00 H new ATOM 0 HA GLU A 19 -11.738 -1.514 -8.291 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -9.310 -3.193 -9.069 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -10.225 -3.373 -7.586 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -11.601 -3.513 -10.303 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -10.840 -4.929 -9.604 1.00 0.00 H new ATOM 304 N PHE A 20 -8.601 -0.499 -8.633 1.00 0.00 N ATOM 305 CA PHE A 20 -7.537 0.317 -8.049 1.00 0.00 C ATOM 306 C PHE A 20 -8.003 1.760 -7.837 1.00 0.00 C ATOM 307 O PHE A 20 -7.668 2.383 -6.829 1.00 0.00 O ATOM 308 CB PHE A 20 -6.305 0.309 -8.964 1.00 0.00 C ATOM 309 CG PHE A 20 -5.433 -0.892 -8.656 1.00 0.00 C ATOM 310 CD1 PHE A 20 -5.951 -1.988 -7.947 1.00 0.00 C ATOM 311 CD2 PHE A 20 -4.101 -0.904 -9.079 1.00 0.00 C ATOM 312 CE1 PHE A 20 -5.137 -3.088 -7.667 1.00 0.00 C ATOM 313 CE2 PHE A 20 -3.287 -2.006 -8.798 1.00 0.00 C ATOM 314 CZ PHE A 20 -3.805 -3.098 -8.091 1.00 0.00 C ATOM 0 H PHE A 20 -8.395 -0.853 -9.567 1.00 0.00 H new ATOM 0 HA PHE A 20 -7.278 -0.111 -7.081 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -6.618 0.282 -10.008 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -5.734 1.227 -8.826 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -6.980 -1.980 -7.618 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -3.700 -0.062 -9.623 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -5.537 -3.931 -7.123 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -2.258 -2.015 -9.127 1.00 0.00 H new ATOM 0 HZ PHE A 20 -3.175 -3.948 -7.873 1.00 0.00 H new ATOM 324 N LYS A 21 -8.786 2.278 -8.790 1.00 0.00 N ATOM 325 CA LYS A 21 -9.300 3.646 -8.690 1.00 0.00 C ATOM 326 C LYS A 21 -10.281 3.759 -7.524 1.00 0.00 C ATOM 327 O LYS A 21 -10.269 4.745 -6.787 1.00 0.00 O ATOM 328 CB LYS A 21 -10.008 4.061 -9.987 1.00 0.00 C ATOM 329 CG LYS A 21 -10.445 5.529 -9.900 1.00 0.00 C ATOM 330 CD LYS A 21 -9.216 6.430 -9.737 1.00 0.00 C ATOM 331 CE LYS A 21 -9.631 7.897 -9.886 1.00 0.00 C ATOM 332 NZ LYS A 21 -8.775 8.752 -9.014 1.00 0.00 N ATOM 0 H LYS A 21 -9.074 1.776 -9.630 1.00 0.00 H new ATOM 0 HA LYS A 21 -8.452 4.310 -8.521 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.339 3.922 -10.836 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.876 3.424 -10.157 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -10.995 5.808 -10.799 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -11.122 5.667 -9.057 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -8.761 6.268 -8.760 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.465 6.176 -10.485 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.534 8.209 -10.926 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -10.680 8.018 -9.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -9.059 9.747 -9.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.889 8.460 -8.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -7.779 8.645 -9.294 1.00 0.00 H new ATOM 346 N ALA A 22 -11.120 2.732 -7.358 1.00 0.00 N ATOM 347 CA ALA A 22 -12.095 2.719 -6.268 1.00 0.00 C ATOM 348 C ALA A 22 -11.378 2.601 -4.924 1.00 0.00 C ATOM 349 O ALA A 22 -11.688 3.324 -3.979 1.00 0.00 O ATOM 350 CB ALA A 22 -13.068 1.549 -6.428 1.00 0.00 C ATOM 0 H ALA A 22 -11.143 1.908 -7.959 1.00 0.00 H new ATOM 0 HA ALA A 22 -12.656 3.653 -6.301 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -13.785 1.557 -5.607 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.599 1.645 -7.375 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.514 0.611 -6.416 1.00 0.00 H new ATOM 356 N ALA A 23 -10.399 1.689 -4.860 1.00 0.00 N ATOM 357 CA ALA A 23 -9.618 1.488 -3.635 1.00 0.00 C ATOM 358 C ALA A 23 -8.795 2.738 -3.304 1.00 0.00 C ATOM 359 O ALA A 23 -8.422 2.960 -2.150 1.00 0.00 O ATOM 360 CB ALA A 23 -8.672 0.294 -3.791 1.00 0.00 C ATOM 0 H ALA A 23 -10.131 1.084 -5.636 1.00 0.00 H new ATOM 0 HA ALA A 23 -10.319 1.293 -2.823 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.101 0.160 -2.872 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.253 -0.606 -3.992 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -7.988 0.477 -4.620 1.00 0.00 H new ATOM 366 N PHE A 24 -8.523 3.554 -4.328 1.00 0.00 N ATOM 367 CA PHE A 24 -7.754 4.784 -4.146 1.00 0.00 C ATOM 368 C PHE A 24 -8.683 5.928 -3.729 1.00 0.00 C ATOM 369 O PHE A 24 -8.457 6.585 -2.716 1.00 0.00 O ATOM 370 CB PHE A 24 -7.053 5.160 -5.461 1.00 0.00 C ATOM 371 CG PHE A 24 -5.844 6.030 -5.190 1.00 0.00 C ATOM 372 CD1 PHE A 24 -5.982 7.422 -5.124 1.00 0.00 C ATOM 373 CD2 PHE A 24 -4.582 5.444 -5.021 1.00 0.00 C ATOM 374 CE1 PHE A 24 -4.861 8.228 -4.885 1.00 0.00 C ATOM 375 CE2 PHE A 24 -3.461 6.251 -4.786 1.00 0.00 C ATOM 376 CZ PHE A 24 -3.601 7.642 -4.717 1.00 0.00 C ATOM 0 H PHE A 24 -8.824 3.383 -5.288 1.00 0.00 H new ATOM 0 HA PHE A 24 -7.010 4.619 -3.367 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -6.747 4.256 -5.988 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -7.749 5.688 -6.113 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -6.953 7.875 -5.257 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -4.474 4.371 -5.072 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -4.969 9.301 -4.830 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -2.488 5.800 -4.658 1.00 0.00 H new ATOM 0 HZ PHE A 24 -2.737 8.263 -4.534 1.00 0.00 H new ATOM 386 N ASP A 25 -9.725 6.155 -4.539 1.00 0.00 N ATOM 387 CA ASP A 25 -10.691 7.232 -4.285 1.00 0.00 C ATOM 388 C ASP A 25 -11.320 7.145 -2.890 1.00 0.00 C ATOM 389 O ASP A 25 -11.564 8.175 -2.259 1.00 0.00 O ATOM 390 CB ASP A 25 -11.810 7.203 -5.331 1.00 0.00 C ATOM 391 CG ASP A 25 -12.410 8.599 -5.477 1.00 0.00 C ATOM 392 OD1 ASP A 25 -13.334 8.905 -4.741 1.00 0.00 O ATOM 393 OD2 ASP A 25 -11.938 9.340 -6.324 1.00 0.00 O ATOM 0 H ASP A 25 -9.921 5.607 -5.377 1.00 0.00 H new ATOM 0 HA ASP A 25 -10.133 8.166 -4.348 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -11.417 6.863 -6.289 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.582 6.494 -5.033 1.00 0.00 H new ATOM 398 N ILE A 26 -11.594 5.923 -2.415 1.00 0.00 N ATOM 399 CA ILE A 26 -12.206 5.754 -1.088 1.00 0.00 C ATOM 400 C ILE A 26 -11.368 6.447 -0.010 1.00 0.00 C ATOM 401 O ILE A 26 -11.908 7.033 0.931 1.00 0.00 O ATOM 402 CB ILE A 26 -12.368 4.270 -0.730 1.00 0.00 C ATOM 403 CG1 ILE A 26 -11.027 3.540 -0.889 1.00 0.00 C ATOM 404 CG2 ILE A 26 -13.416 3.637 -1.651 1.00 0.00 C ATOM 405 CD1 ILE A 26 -11.187 2.068 -0.507 1.00 0.00 C ATOM 0 H ILE A 26 -11.407 5.054 -2.915 1.00 0.00 H new ATOM 0 HA ILE A 26 -13.194 6.214 -1.128 1.00 0.00 H new ATOM 0 HB ILE A 26 -12.694 4.184 0.307 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -10.678 3.622 -1.919 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -10.271 4.008 -0.258 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -13.533 2.583 -1.399 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -14.370 4.149 -1.523 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -13.092 3.728 -2.688 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -10.232 1.556 -0.622 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -11.515 1.995 0.530 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -11.929 1.602 -1.156 1.00 0.00 H new ATOM 417 N PHE A 27 -10.042 6.382 -0.164 1.00 0.00 N ATOM 418 CA PHE A 27 -9.133 7.014 0.793 1.00 0.00 C ATOM 419 C PHE A 27 -8.898 8.487 0.434 1.00 0.00 C ATOM 420 O PHE A 27 -8.646 9.313 1.314 1.00 0.00 O ATOM 421 CB PHE A 27 -7.790 6.279 0.825 1.00 0.00 C ATOM 422 CG PHE A 27 -7.921 5.039 1.680 1.00 0.00 C ATOM 423 CD1 PHE A 27 -7.927 5.145 3.076 1.00 0.00 C ATOM 424 CD2 PHE A 27 -8.045 3.782 1.075 1.00 0.00 C ATOM 425 CE1 PHE A 27 -8.056 3.998 3.866 1.00 0.00 C ATOM 426 CE2 PHE A 27 -8.173 2.634 1.866 1.00 0.00 C ATOM 427 CZ PHE A 27 -8.178 2.742 3.261 1.00 0.00 C ATOM 0 H PHE A 27 -9.579 5.902 -0.936 1.00 0.00 H new ATOM 0 HA PHE A 27 -9.597 6.959 1.778 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -7.487 6.007 -0.186 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -7.014 6.931 1.226 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -7.832 6.114 3.544 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -8.042 3.698 -0.002 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -8.061 4.082 4.943 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -8.268 1.665 1.399 1.00 0.00 H new ATOM 0 HZ PHE A 27 -8.276 1.856 3.871 1.00 0.00 H new ATOM 437 N ILE A 28 -8.991 8.811 -0.866 1.00 0.00 N ATOM 438 CA ILE A 28 -8.792 10.195 -1.324 1.00 0.00 C ATOM 439 C ILE A 28 -10.129 10.951 -1.376 1.00 0.00 C ATOM 440 O ILE A 28 -10.286 11.910 -2.138 1.00 0.00 O ATOM 441 CB ILE A 28 -8.139 10.221 -2.720 1.00 0.00 C ATOM 442 CG1 ILE A 28 -6.962 9.240 -2.785 1.00 0.00 C ATOM 443 CG2 ILE A 28 -7.615 11.625 -3.032 1.00 0.00 C ATOM 444 CD1 ILE A 28 -6.187 9.243 -1.463 1.00 0.00 C ATOM 0 H ILE A 28 -9.200 8.144 -1.609 1.00 0.00 H new ATOM 0 HA ILE A 28 -8.131 10.686 -0.610 1.00 0.00 H new ATOM 0 HB ILE A 28 -8.897 9.933 -3.448 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -7.329 8.236 -2.996 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -6.297 9.514 -3.604 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -7.156 11.631 -4.021 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -8.442 12.335 -3.012 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -6.873 11.911 -2.286 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -5.355 8.541 -1.527 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -5.803 10.244 -1.269 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -6.851 8.946 -0.651 1.00 0.00 H new ATOM 456 N GLN A 29 -11.087 10.522 -0.547 1.00 0.00 N ATOM 457 CA GLN A 29 -12.397 11.178 -0.500 1.00 0.00 C ATOM 458 C GLN A 29 -12.258 12.598 0.058 1.00 0.00 C ATOM 459 O GLN A 29 -12.968 13.513 -0.362 1.00 0.00 O ATOM 460 CB GLN A 29 -13.385 10.382 0.369 1.00 0.00 C ATOM 461 CG GLN A 29 -12.779 10.106 1.751 1.00 0.00 C ATOM 462 CD GLN A 29 -13.851 9.540 2.677 1.00 0.00 C ATOM 463 OE1 GLN A 29 -14.505 8.549 2.350 1.00 0.00 O ATOM 464 NE2 GLN A 29 -14.071 10.114 3.829 1.00 0.00 N ATOM 0 H GLN A 29 -10.982 9.734 0.092 1.00 0.00 H new ATOM 0 HA GLN A 29 -12.785 11.221 -1.518 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -14.315 10.940 0.477 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.633 9.441 -0.121 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -11.952 9.401 1.662 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -12.371 11.026 2.170 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -13.530 10.935 4.101 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -14.784 9.742 4.457 1.00 0.00 H new ATOM 473 N ASP A 30 -11.323 12.767 1.001 1.00 0.00 N ATOM 474 CA ASP A 30 -11.078 14.074 1.609 1.00 0.00 C ATOM 475 C ASP A 30 -9.596 14.218 1.978 1.00 0.00 C ATOM 476 O ASP A 30 -9.253 14.738 3.043 1.00 0.00 O ATOM 477 CB ASP A 30 -11.943 14.251 2.863 1.00 0.00 C ATOM 478 CG ASP A 30 -12.402 15.702 2.968 1.00 0.00 C ATOM 479 OD1 ASP A 30 -13.446 16.015 2.419 1.00 0.00 O ATOM 480 OD2 ASP A 30 -11.703 16.481 3.596 1.00 0.00 O ATOM 0 H ASP A 30 -10.729 12.018 1.356 1.00 0.00 H new ATOM 0 HA ASP A 30 -11.342 14.845 0.885 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -12.807 13.588 2.817 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -11.375 13.974 3.751 1.00 0.00 H new ATOM 485 N ALA A 31 -8.718 13.753 1.079 1.00 0.00 N ATOM 486 CA ALA A 31 -7.275 13.837 1.313 1.00 0.00 C ATOM 487 C ALA A 31 -6.796 15.282 1.184 1.00 0.00 C ATOM 488 O ALA A 31 -7.363 16.077 0.431 1.00 0.00 O ATOM 489 CB ALA A 31 -6.516 12.964 0.312 1.00 0.00 C ATOM 0 H ALA A 31 -8.980 13.320 0.193 1.00 0.00 H new ATOM 0 HA ALA A 31 -7.077 13.480 2.324 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.445 13.040 0.502 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -6.832 11.926 0.422 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -6.730 13.303 -0.702 1.00 0.00 H new ATOM 495 N GLU A 32 -5.738 15.609 1.928 1.00 0.00 N ATOM 496 CA GLU A 32 -5.176 16.964 1.898 1.00 0.00 C ATOM 497 C GLU A 32 -4.415 17.197 0.595 1.00 0.00 C ATOM 498 O GLU A 32 -4.600 18.217 -0.072 1.00 0.00 O ATOM 499 CB GLU A 32 -4.224 17.189 3.078 1.00 0.00 C ATOM 500 CG GLU A 32 -4.998 17.109 4.396 1.00 0.00 C ATOM 501 CD GLU A 32 -4.053 17.401 5.558 1.00 0.00 C ATOM 502 OE1 GLU A 32 -3.417 16.471 6.027 1.00 0.00 O ATOM 503 OE2 GLU A 32 -3.978 18.551 5.960 1.00 0.00 O ATOM 0 H GLU A 32 -5.256 14.963 2.553 1.00 0.00 H new ATOM 0 HA GLU A 32 -6.006 17.667 1.969 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -3.432 16.440 3.065 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -3.743 18.163 2.988 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.819 17.826 4.392 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.439 16.119 4.512 1.00 0.00 H new ATOM 510 N ASP A 33 -3.559 16.236 0.242 1.00 0.00 N ATOM 511 CA ASP A 33 -2.767 16.330 -0.986 1.00 0.00 C ATOM 512 C ASP A 33 -3.452 15.585 -2.135 1.00 0.00 C ATOM 513 O ASP A 33 -3.373 16.003 -3.292 1.00 0.00 O ATOM 514 CB ASP A 33 -1.370 15.736 -0.768 1.00 0.00 C ATOM 515 CG ASP A 33 -0.399 16.324 -1.788 1.00 0.00 C ATOM 516 OD1 ASP A 33 0.163 17.370 -1.509 1.00 0.00 O ATOM 517 OD2 ASP A 33 -0.233 15.718 -2.835 1.00 0.00 O ATOM 0 H ASP A 33 -3.397 15.388 0.786 1.00 0.00 H new ATOM 0 HA ASP A 33 -2.680 17.385 -1.245 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -1.026 15.952 0.243 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -1.405 14.651 -0.868 1.00 0.00 H new ATOM 522 N GLY A 34 -4.124 14.476 -1.803 1.00 0.00 N ATOM 523 CA GLY A 34 -4.822 13.673 -2.811 1.00 0.00 C ATOM 524 C GLY A 34 -4.146 12.314 -3.007 1.00 0.00 C ATOM 525 O GLY A 34 -4.158 11.758 -4.107 1.00 0.00 O ATOM 0 H GLY A 34 -4.198 14.117 -0.851 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.858 13.525 -2.507 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.841 14.212 -3.758 1.00 0.00 H new ATOM 529 N CYS A 35 -3.561 11.783 -1.926 1.00 0.00 N ATOM 530 CA CYS A 35 -2.881 10.486 -1.979 1.00 0.00 C ATOM 531 C CYS A 35 -3.109 9.719 -0.676 1.00 0.00 C ATOM 532 O CYS A 35 -3.727 10.232 0.259 1.00 0.00 O ATOM 533 CB CYS A 35 -1.374 10.672 -2.182 1.00 0.00 C ATOM 534 SG CYS A 35 -1.070 11.715 -3.631 1.00 0.00 S ATOM 0 H CYS A 35 -3.546 12.230 -1.009 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.293 9.925 -2.818 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -0.933 11.128 -1.296 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -0.894 9.702 -2.314 1.00 0.00 H new ATOM 0 HG CYS A 35 0.048 11.362 -4.193 1.00 0.00 H new ATOM 540 N ILE A 36 -2.594 8.489 -0.621 1.00 0.00 N ATOM 541 CA ILE A 36 -2.745 7.669 0.581 1.00 0.00 C ATOM 542 C ILE A 36 -1.409 7.564 1.321 1.00 0.00 C ATOM 543 O ILE A 36 -0.384 8.056 0.850 1.00 0.00 O ATOM 544 CB ILE A 36 -3.261 6.265 0.234 1.00 0.00 C ATOM 545 CG1 ILE A 36 -2.305 5.575 -0.744 1.00 0.00 C ATOM 546 CG2 ILE A 36 -4.651 6.373 -0.399 1.00 0.00 C ATOM 547 CD1 ILE A 36 -1.612 4.415 -0.033 1.00 0.00 C ATOM 0 H ILE A 36 -2.078 8.045 -1.381 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.478 8.153 1.227 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.319 5.674 1.148 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.854 5.210 -1.612 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.565 6.286 -1.111 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.017 5.376 -0.645 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.335 6.847 0.304 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.592 6.972 -1.307 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.930 3.920 -0.724 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.051 4.795 0.821 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.360 3.701 0.313 1.00 0.00 H new ATOM 559 N SER A 37 -1.436 6.925 2.490 1.00 0.00 N ATOM 560 CA SER A 37 -0.229 6.769 3.298 1.00 0.00 C ATOM 561 C SER A 37 0.446 5.428 3.016 1.00 0.00 C ATOM 562 O SER A 37 -0.196 4.470 2.580 1.00 0.00 O ATOM 563 CB SER A 37 -0.570 6.855 4.787 1.00 0.00 C ATOM 564 OG SER A 37 0.619 7.084 5.532 1.00 0.00 O ATOM 0 H SER A 37 -2.275 6.510 2.896 1.00 0.00 H new ATOM 0 HA SER A 37 0.455 7.575 3.033 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.283 7.661 4.962 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.046 5.931 5.116 1.00 0.00 H new ATOM 0 HG SER A 37 0.402 7.141 6.486 1.00 0.00 H new ATOM 570 N THR A 38 1.749 5.376 3.287 1.00 0.00 N ATOM 571 CA THR A 38 2.524 4.149 3.080 1.00 0.00 C ATOM 572 C THR A 38 1.944 3.011 3.920 1.00 0.00 C ATOM 573 O THR A 38 1.621 1.943 3.400 1.00 0.00 O ATOM 574 CB THR A 38 3.995 4.363 3.467 1.00 0.00 C ATOM 575 OG1 THR A 38 4.069 4.936 4.767 1.00 0.00 O ATOM 576 CG2 THR A 38 4.656 5.301 2.459 1.00 0.00 C ATOM 0 H THR A 38 2.289 6.162 3.648 1.00 0.00 H new ATOM 0 HA THR A 38 2.468 3.889 2.023 1.00 0.00 H new ATOM 0 HB THR A 38 4.512 3.403 3.465 1.00 0.00 H new ATOM 0 HG1 THR A 38 5.008 5.070 5.012 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.700 5.453 2.734 1.00 0.00 H new ATOM 0 HG22 THR A 38 4.603 4.861 1.463 1.00 0.00 H new ATOM 0 HG23 THR A 38 4.137 6.260 2.460 1.00 0.00 H new ATOM 584 N LYS A 39 1.806 3.259 5.226 1.00 0.00 N ATOM 585 CA LYS A 39 1.254 2.258 6.146 1.00 0.00 C ATOM 586 C LYS A 39 -0.207 1.924 5.809 1.00 0.00 C ATOM 587 O LYS A 39 -0.710 0.864 6.191 1.00 0.00 O ATOM 588 CB LYS A 39 1.335 2.766 7.590 1.00 0.00 C ATOM 589 CG LYS A 39 0.521 4.058 7.743 1.00 0.00 C ATOM 590 CD LYS A 39 -0.065 4.134 9.156 1.00 0.00 C ATOM 591 CE LYS A 39 -1.576 3.890 9.103 1.00 0.00 C ATOM 592 NZ LYS A 39 -1.848 2.447 8.840 1.00 0.00 N ATOM 0 H LYS A 39 2.067 4.140 5.669 1.00 0.00 H new ATOM 0 HA LYS A 39 1.849 1.351 6.037 1.00 0.00 H new ATOM 0 HB2 LYS A 39 0.956 2.006 8.273 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.375 2.948 7.861 1.00 0.00 H new ATOM 0 HG2 LYS A 39 1.156 4.924 7.555 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.280 4.084 7.005 1.00 0.00 H new ATOM 0 HD2 LYS A 39 0.410 3.392 9.797 1.00 0.00 H new ATOM 0 HD3 LYS A 39 0.140 5.111 9.593 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -2.035 4.190 10.045 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -2.025 4.502 8.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -2.714 2.160 9.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -1.973 2.298 7.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -1.047 1.876 9.178 1.00 0.00 H new ATOM 606 N GLU A 40 -0.885 2.833 5.095 1.00 0.00 N ATOM 607 CA GLU A 40 -2.286 2.620 4.722 1.00 0.00 C ATOM 608 C GLU A 40 -2.418 1.680 3.512 1.00 0.00 C ATOM 609 O GLU A 40 -3.533 1.334 3.115 1.00 0.00 O ATOM 610 CB GLU A 40 -2.960 3.955 4.390 1.00 0.00 C ATOM 611 CG GLU A 40 -3.281 4.707 5.685 1.00 0.00 C ATOM 612 CD GLU A 40 -4.493 4.074 6.363 1.00 0.00 C ATOM 613 OE1 GLU A 40 -5.596 4.292 5.887 1.00 0.00 O ATOM 614 OE2 GLU A 40 -4.302 3.381 7.348 1.00 0.00 O ATOM 0 H GLU A 40 -0.489 3.714 4.768 1.00 0.00 H new ATOM 0 HA GLU A 40 -2.777 2.157 5.578 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -2.305 4.558 3.761 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.874 3.781 3.823 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.422 4.679 6.355 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.481 5.756 5.467 1.00 0.00 H new ATOM 621 N LEU A 41 -1.282 1.261 2.933 1.00 0.00 N ATOM 622 CA LEU A 41 -1.310 0.355 1.781 1.00 0.00 C ATOM 623 C LEU A 41 -1.934 -0.986 2.170 1.00 0.00 C ATOM 624 O LEU A 41 -2.712 -1.564 1.412 1.00 0.00 O ATOM 625 CB LEU A 41 0.106 0.111 1.253 1.00 0.00 C ATOM 626 CG LEU A 41 0.214 -0.124 -0.257 1.00 0.00 C ATOM 627 CD1 LEU A 41 -0.541 -1.400 -0.640 1.00 0.00 C ATOM 628 CD2 LEU A 41 -0.385 1.071 -1.008 1.00 0.00 C ATOM 0 H LEU A 41 -0.348 1.532 3.240 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.911 0.824 1.002 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.726 0.968 1.515 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.524 -0.754 1.769 1.00 0.00 H new ATOM 0 HG LEU A 41 1.264 -0.234 -0.527 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.461 -1.562 -1.715 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.110 -2.250 -0.112 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.591 -1.298 -0.366 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.307 0.902 -2.082 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.434 1.185 -0.734 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.160 1.977 -0.743 1.00 0.00 H new ATOM 640 N GLY A 42 -1.593 -1.471 3.366 1.00 0.00 N ATOM 641 CA GLY A 42 -2.136 -2.742 3.853 1.00 0.00 C ATOM 642 C GLY A 42 -3.659 -2.677 4.044 1.00 0.00 C ATOM 643 O GLY A 42 -4.313 -3.709 4.201 1.00 0.00 O ATOM 0 H GLY A 42 -0.950 -1.009 4.010 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.892 -3.536 3.147 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.662 -3.001 4.800 1.00 0.00 H new ATOM 647 N LYS A 43 -4.218 -1.457 4.031 1.00 0.00 N ATOM 648 CA LYS A 43 -5.659 -1.273 4.208 1.00 0.00 C ATOM 649 C LYS A 43 -6.402 -1.461 2.882 1.00 0.00 C ATOM 650 O LYS A 43 -7.465 -2.083 2.840 1.00 0.00 O ATOM 651 CB LYS A 43 -5.957 0.131 4.747 1.00 0.00 C ATOM 652 CG LYS A 43 -5.118 0.404 6.000 1.00 0.00 C ATOM 653 CD LYS A 43 -5.635 -0.442 7.167 1.00 0.00 C ATOM 654 CE LYS A 43 -4.747 -0.219 8.394 1.00 0.00 C ATOM 655 NZ LYS A 43 -4.697 -1.466 9.210 1.00 0.00 N ATOM 0 H LYS A 43 -3.695 -0.591 3.900 1.00 0.00 H new ATOM 0 HA LYS A 43 -6.002 -2.022 4.921 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.737 0.876 3.983 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -7.017 0.221 4.983 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.071 0.170 5.806 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -5.166 1.462 6.257 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -6.666 -0.172 7.397 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -5.636 -1.497 6.893 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.742 0.063 8.081 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -5.137 0.604 8.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.093 -1.312 10.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -5.657 -1.717 9.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -4.305 -2.240 8.637 1.00 0.00 H new ATOM 669 N VAL A 44 -5.830 -0.916 1.801 1.00 0.00 N ATOM 670 CA VAL A 44 -6.448 -1.028 0.474 1.00 0.00 C ATOM 671 C VAL A 44 -6.400 -2.473 -0.031 1.00 0.00 C ATOM 672 O VAL A 44 -7.296 -2.914 -0.752 1.00 0.00 O ATOM 673 CB VAL A 44 -5.756 -0.110 -0.547 1.00 0.00 C ATOM 674 CG1 VAL A 44 -6.031 1.353 -0.190 1.00 0.00 C ATOM 675 CG2 VAL A 44 -4.244 -0.353 -0.544 1.00 0.00 C ATOM 0 H VAL A 44 -4.951 -0.399 1.818 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.487 -0.717 0.578 1.00 0.00 H new ATOM 0 HB VAL A 44 -6.150 -0.331 -1.539 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.540 2.003 -0.914 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -7.105 1.536 -0.208 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.644 1.563 0.807 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.768 0.304 -1.272 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.844 -0.145 0.448 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.042 -1.391 -0.806 1.00 0.00 H new ATOM 685 N MET A 45 -5.350 -3.208 0.363 1.00 0.00 N ATOM 686 CA MET A 45 -5.207 -4.608 -0.049 1.00 0.00 C ATOM 687 C MET A 45 -6.352 -5.448 0.517 1.00 0.00 C ATOM 688 O MET A 45 -6.820 -6.390 -0.123 1.00 0.00 O ATOM 689 CB MET A 45 -3.875 -5.205 0.435 1.00 0.00 C ATOM 690 CG MET A 45 -2.706 -4.282 0.066 1.00 0.00 C ATOM 691 SD MET A 45 -1.966 -4.835 -1.488 1.00 0.00 S ATOM 692 CE MET A 45 -3.360 -4.403 -2.554 1.00 0.00 C ATOM 0 H MET A 45 -4.598 -2.861 0.958 1.00 0.00 H new ATOM 0 HA MET A 45 -5.229 -4.627 -1.139 1.00 0.00 H new ATOM 0 HB2 MET A 45 -3.905 -5.349 1.515 1.00 0.00 H new ATOM 0 HB3 MET A 45 -3.726 -6.187 -0.013 1.00 0.00 H new ATOM 0 HG2 MET A 45 -3.057 -3.255 -0.032 1.00 0.00 H new ATOM 0 HG3 MET A 45 -1.959 -4.289 0.860 1.00 0.00 H new ATOM 0 HE1 MET A 45 -3.003 -4.234 -3.570 1.00 0.00 H new ATOM 0 HE2 MET A 45 -4.084 -5.218 -2.555 1.00 0.00 H new ATOM 0 HE3 MET A 45 -3.836 -3.496 -2.181 1.00 0.00 H new ATOM 702 N ARG A 46 -6.800 -5.086 1.722 1.00 0.00 N ATOM 703 CA ARG A 46 -7.899 -5.802 2.374 1.00 0.00 C ATOM 704 C ARG A 46 -9.226 -5.502 1.675 1.00 0.00 C ATOM 705 O ARG A 46 -10.095 -6.369 1.572 1.00 0.00 O ATOM 706 CB ARG A 46 -8.006 -5.399 3.847 1.00 0.00 C ATOM 707 CG ARG A 46 -6.834 -6.002 4.630 1.00 0.00 C ATOM 708 CD ARG A 46 -7.326 -6.502 5.990 1.00 0.00 C ATOM 709 NE ARG A 46 -6.291 -7.295 6.658 1.00 0.00 N ATOM 710 CZ ARG A 46 -6.516 -7.904 7.831 1.00 0.00 C ATOM 711 NH1 ARG A 46 -7.684 -7.811 8.423 1.00 0.00 N ATOM 712 NH2 ARG A 46 -5.561 -8.602 8.390 1.00 0.00 N ATOM 0 H ARG A 46 -6.422 -4.308 2.262 1.00 0.00 H new ATOM 0 HA ARG A 46 -7.688 -6.869 2.306 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -7.998 -4.313 3.939 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -8.952 -5.747 4.262 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -6.393 -6.825 4.067 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -6.053 -5.254 4.767 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -7.602 -5.654 6.616 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -8.224 -7.105 5.858 1.00 0.00 H new ATOM 0 HE ARG A 46 -5.375 -7.386 6.219 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -8.433 -7.271 7.991 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -7.842 -8.279 9.315 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -4.652 -8.680 7.933 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -5.725 -9.068 9.282 1.00 0.00 H new ATOM 726 N MET A 47 -9.368 -4.263 1.190 1.00 0.00 N ATOM 727 CA MET A 47 -10.589 -3.850 0.494 1.00 0.00 C ATOM 728 C MET A 47 -10.645 -4.466 -0.907 1.00 0.00 C ATOM 729 O MET A 47 -11.708 -4.889 -1.365 1.00 0.00 O ATOM 730 CB MET A 47 -10.647 -2.323 0.369 1.00 0.00 C ATOM 731 CG MET A 47 -11.511 -1.747 1.493 1.00 0.00 C ATOM 732 SD MET A 47 -10.573 -1.744 3.042 1.00 0.00 S ATOM 733 CE MET A 47 -10.849 -0.008 3.475 1.00 0.00 C ATOM 0 H MET A 47 -8.658 -3.535 1.266 1.00 0.00 H new ATOM 0 HA MET A 47 -11.440 -4.200 1.078 1.00 0.00 H new ATOM 0 HB2 MET A 47 -9.641 -1.906 0.420 1.00 0.00 H new ATOM 0 HB3 MET A 47 -11.060 -2.043 -0.600 1.00 0.00 H new ATOM 0 HG2 MET A 47 -11.822 -0.733 1.243 1.00 0.00 H new ATOM 0 HG3 MET A 47 -12.419 -2.339 1.607 1.00 0.00 H new ATOM 0 HE1 MET A 47 -10.348 0.216 4.417 1.00 0.00 H new ATOM 0 HE2 MET A 47 -10.447 0.631 2.689 1.00 0.00 H new ATOM 0 HE3 MET A 47 -11.918 0.175 3.581 1.00 0.00 H new ATOM 743 N LEU A 48 -9.487 -4.513 -1.575 1.00 0.00 N ATOM 744 CA LEU A 48 -9.406 -5.082 -2.925 1.00 0.00 C ATOM 745 C LEU A 48 -9.761 -6.572 -2.907 1.00 0.00 C ATOM 746 O LEU A 48 -10.470 -7.061 -3.788 1.00 0.00 O ATOM 747 CB LEU A 48 -7.994 -4.914 -3.497 1.00 0.00 C ATOM 748 CG LEU A 48 -7.737 -3.593 -4.230 1.00 0.00 C ATOM 749 CD1 LEU A 48 -6.232 -3.321 -4.283 1.00 0.00 C ATOM 750 CD2 LEU A 48 -8.289 -3.683 -5.656 1.00 0.00 C ATOM 0 H LEU A 48 -8.601 -4.167 -1.207 1.00 0.00 H new ATOM 0 HA LEU A 48 -10.119 -4.548 -3.553 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.276 -5.003 -2.681 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.798 -5.736 -4.185 1.00 0.00 H new ATOM 0 HG LEU A 48 -8.234 -2.782 -3.698 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.050 -2.381 -4.805 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.838 -3.255 -3.269 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.734 -4.133 -4.814 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -8.106 -2.743 -6.177 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.793 -4.495 -6.188 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -9.361 -3.875 -5.620 1.00 0.00 H new ATOM 762 N GLY A 49 -9.259 -7.282 -1.891 1.00 0.00 N ATOM 763 CA GLY A 49 -9.523 -8.715 -1.759 1.00 0.00 C ATOM 764 C GLY A 49 -8.218 -9.489 -1.586 1.00 0.00 C ATOM 765 O GLY A 49 -7.914 -10.400 -2.360 1.00 0.00 O ATOM 0 H GLY A 49 -8.672 -6.890 -1.154 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -10.174 -8.893 -0.903 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -10.052 -9.076 -2.641 1.00 0.00 H new ATOM 769 N GLN A 50 -7.451 -9.110 -0.561 1.00 0.00 N ATOM 770 CA GLN A 50 -6.170 -9.762 -0.280 1.00 0.00 C ATOM 771 C GLN A 50 -5.830 -9.653 1.206 1.00 0.00 C ATOM 772 O GLN A 50 -6.265 -8.722 1.889 1.00 0.00 O ATOM 773 CB GLN A 50 -5.045 -9.113 -1.093 1.00 0.00 C ATOM 774 CG GLN A 50 -4.757 -9.957 -2.337 1.00 0.00 C ATOM 775 CD GLN A 50 -3.356 -9.641 -2.855 1.00 0.00 C ATOM 776 OE1 GLN A 50 -2.368 -9.827 -2.145 1.00 0.00 O ATOM 777 NE2 GLN A 50 -3.209 -9.172 -4.064 1.00 0.00 N ATOM 0 H GLN A 50 -7.693 -8.359 0.085 1.00 0.00 H new ATOM 0 HA GLN A 50 -6.262 -10.812 -0.559 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -5.330 -8.102 -1.385 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -4.145 -9.027 -0.484 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -4.837 -11.017 -2.096 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.497 -9.749 -3.110 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -4.027 -9.017 -4.654 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -2.277 -8.960 -4.419 1.00 0.00 H new ATOM 786 N ASN A 51 -5.044 -10.613 1.697 1.00 0.00 N ATOM 787 CA ASN A 51 -4.648 -10.616 3.104 1.00 0.00 C ATOM 788 C ASN A 51 -3.147 -10.903 3.243 1.00 0.00 C ATOM 789 O ASN A 51 -2.743 -12.011 3.606 1.00 0.00 O ATOM 790 CB ASN A 51 -5.449 -11.668 3.882 1.00 0.00 C ATOM 791 CG ASN A 51 -5.602 -11.225 5.336 1.00 0.00 C ATOM 792 OD1 ASN A 51 -4.617 -11.131 6.070 1.00 0.00 O ATOM 793 ND2 ASN A 51 -6.790 -10.946 5.803 1.00 0.00 N ATOM 0 H ASN A 51 -4.674 -11.389 1.148 1.00 0.00 H new ATOM 0 HA ASN A 51 -4.858 -9.629 3.517 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -6.430 -11.802 3.427 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -4.942 -12.632 3.837 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -6.900 -10.651 6.773 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -7.607 -11.023 5.197 1.00 0.00 H new ATOM 800 N PRO A 52 -2.307 -9.897 2.960 1.00 0.00 N ATOM 801 CA PRO A 52 -0.840 -10.036 3.063 1.00 0.00 C ATOM 802 C PRO A 52 -0.337 -9.860 4.496 1.00 0.00 C ATOM 803 O PRO A 52 -1.121 -9.835 5.449 1.00 0.00 O ATOM 804 CB PRO A 52 -0.343 -8.892 2.183 1.00 0.00 C ATOM 805 CG PRO A 52 -1.458 -7.855 2.131 1.00 0.00 C ATOM 806 CD PRO A 52 -2.763 -8.561 2.522 1.00 0.00 C ATOM 0 HA PRO A 52 -0.491 -11.024 2.763 1.00 0.00 H new ATOM 0 HB2 PRO A 52 0.569 -8.458 2.593 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -0.103 -9.251 1.182 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -1.248 -7.032 2.814 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -1.538 -7.428 1.131 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -3.284 -8.032 3.320 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -3.453 -8.627 1.681 1.00 0.00 H new ATOM 814 N THR A 53 0.980 -9.716 4.628 1.00 0.00 N ATOM 815 CA THR A 53 1.599 -9.515 5.937 1.00 0.00 C ATOM 816 C THR A 53 2.045 -8.057 6.060 1.00 0.00 C ATOM 817 O THR A 53 2.093 -7.334 5.063 1.00 0.00 O ATOM 818 CB THR A 53 2.817 -10.444 6.120 1.00 0.00 C ATOM 819 OG1 THR A 53 3.959 -9.878 5.491 1.00 0.00 O ATOM 820 CG2 THR A 53 2.532 -11.815 5.503 1.00 0.00 C ATOM 0 H THR A 53 1.637 -9.735 3.848 1.00 0.00 H new ATOM 0 HA THR A 53 0.869 -9.752 6.711 1.00 0.00 H new ATOM 0 HB THR A 53 3.008 -10.560 7.187 1.00 0.00 H new ATOM 0 HG1 THR A 53 4.728 -10.473 5.613 1.00 0.00 H new ATOM 0 HG21 THR A 53 3.399 -12.462 5.638 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.666 -12.261 5.992 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.328 -11.700 4.439 1.00 0.00 H new ATOM 828 N PRO A 54 2.393 -7.609 7.271 1.00 0.00 N ATOM 829 CA PRO A 54 2.850 -6.219 7.485 1.00 0.00 C ATOM 830 C PRO A 54 4.220 -5.953 6.862 1.00 0.00 C ATOM 831 O PRO A 54 4.533 -4.823 6.487 1.00 0.00 O ATOM 832 CB PRO A 54 2.888 -6.112 9.004 1.00 0.00 C ATOM 833 CG PRO A 54 3.004 -7.530 9.541 1.00 0.00 C ATOM 834 CD PRO A 54 2.373 -8.447 8.491 1.00 0.00 C ATOM 0 HA PRO A 54 2.201 -5.481 7.013 1.00 0.00 H new ATOM 0 HB2 PRO A 54 3.734 -5.505 9.328 1.00 0.00 H new ATOM 0 HB3 PRO A 54 1.986 -5.629 9.380 1.00 0.00 H new ATOM 0 HG2 PRO A 54 4.047 -7.796 9.711 1.00 0.00 H new ATOM 0 HG3 PRO A 54 2.491 -7.625 10.498 1.00 0.00 H new ATOM 0 HD2 PRO A 54 2.945 -9.366 8.360 1.00 0.00 H new ATOM 0 HD3 PRO A 54 1.359 -8.739 8.765 1.00 0.00 H new ATOM 842 N GLU A 55 5.021 -7.013 6.740 1.00 0.00 N ATOM 843 CA GLU A 55 6.350 -6.900 6.139 1.00 0.00 C ATOM 844 C GLU A 55 6.247 -6.968 4.612 1.00 0.00 C ATOM 845 O GLU A 55 7.002 -6.305 3.898 1.00 0.00 O ATOM 846 CB GLU A 55 7.267 -8.029 6.631 1.00 0.00 C ATOM 847 CG GLU A 55 7.086 -8.224 8.141 1.00 0.00 C ATOM 848 CD GLU A 55 8.169 -9.156 8.675 1.00 0.00 C ATOM 849 OE1 GLU A 55 7.941 -10.356 8.679 1.00 0.00 O ATOM 850 OE2 GLU A 55 9.207 -8.657 9.078 1.00 0.00 O ATOM 0 H GLU A 55 4.774 -7.954 7.047 1.00 0.00 H new ATOM 0 HA GLU A 55 6.774 -5.941 6.436 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.034 -8.955 6.105 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.307 -7.789 6.408 1.00 0.00 H new ATOM 0 HG2 GLU A 55 7.138 -7.262 8.650 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.100 -8.641 8.348 1.00 0.00 H new ATOM 857 N GLU A 56 5.298 -7.779 4.125 1.00 0.00 N ATOM 858 CA GLU A 56 5.090 -7.937 2.683 1.00 0.00 C ATOM 859 C GLU A 56 4.572 -6.638 2.066 1.00 0.00 C ATOM 860 O GLU A 56 5.170 -6.106 1.129 1.00 0.00 O ATOM 861 CB GLU A 56 4.088 -9.062 2.400 1.00 0.00 C ATOM 862 CG GLU A 56 4.823 -10.407 2.365 1.00 0.00 C ATOM 863 CD GLU A 56 5.436 -10.620 0.982 1.00 0.00 C ATOM 864 OE1 GLU A 56 6.550 -10.164 0.773 1.00 0.00 O ATOM 865 OE2 GLU A 56 4.784 -11.236 0.155 1.00 0.00 O ATOM 0 H GLU A 56 4.667 -8.332 4.706 1.00 0.00 H new ATOM 0 HA GLU A 56 6.051 -8.190 2.236 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.316 -9.078 3.169 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.586 -8.885 1.449 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.603 -10.427 3.126 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.131 -11.217 2.596 1.00 0.00 H new ATOM 872 N LEU A 57 3.454 -6.129 2.595 1.00 0.00 N ATOM 873 CA LEU A 57 2.877 -4.885 2.076 1.00 0.00 C ATOM 874 C LEU A 57 3.866 -3.720 2.209 1.00 0.00 C ATOM 875 O LEU A 57 3.885 -2.818 1.370 1.00 0.00 O ATOM 876 CB LEU A 57 1.581 -4.538 2.820 1.00 0.00 C ATOM 877 CG LEU A 57 1.745 -4.124 4.289 1.00 0.00 C ATOM 878 CD1 LEU A 57 1.822 -2.597 4.391 1.00 0.00 C ATOM 879 CD2 LEU A 57 0.545 -4.628 5.094 1.00 0.00 C ATOM 0 H LEU A 57 2.939 -6.550 3.368 1.00 0.00 H new ATOM 0 HA LEU A 57 2.656 -5.042 1.020 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.084 -3.727 2.287 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.917 -5.402 2.777 1.00 0.00 H new ATOM 0 HG LEU A 57 2.662 -4.558 4.687 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.938 -2.308 5.435 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.676 -2.237 3.817 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.907 -2.159 3.993 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.658 -4.336 6.138 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.371 -4.193 4.693 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.491 -5.715 5.025 1.00 0.00 H new ATOM 891 N GLN A 58 4.681 -3.746 3.273 1.00 0.00 N ATOM 892 CA GLN A 58 5.661 -2.681 3.514 1.00 0.00 C ATOM 893 C GLN A 58 6.706 -2.615 2.397 1.00 0.00 C ATOM 894 O GLN A 58 6.896 -1.564 1.782 1.00 0.00 O ATOM 895 CB GLN A 58 6.375 -2.887 4.855 1.00 0.00 C ATOM 896 CG GLN A 58 7.048 -1.579 5.287 1.00 0.00 C ATOM 897 CD GLN A 58 5.982 -0.538 5.629 1.00 0.00 C ATOM 898 OE1 GLN A 58 5.554 0.275 4.700 1.00 0.00 O flip ATOM 899 NE2 GLN A 58 5.525 -0.462 6.770 1.00 0.00 N flip ATOM 0 H GLN A 58 4.681 -4.487 3.974 1.00 0.00 H new ATOM 0 HA GLN A 58 5.109 -1.742 3.536 1.00 0.00 H new ATOM 0 HB2 GLN A 58 5.660 -3.208 5.613 1.00 0.00 H new ATOM 0 HB3 GLN A 58 7.120 -3.678 4.764 1.00 0.00 H new ATOM 0 HG2 GLN A 58 7.687 -1.756 6.152 1.00 0.00 H new ATOM 0 HG3 GLN A 58 7.689 -1.208 4.488 1.00 0.00 H new ATOM 0 HE21 GLN A 58 5.858 -1.096 7.496 1.00 0.00 H new ATOM 0 HE22 GLN A 58 4.813 0.235 6.989 1.00 0.00 H new ATOM 908 N GLU A 59 7.385 -3.741 2.144 1.00 0.00 N ATOM 909 CA GLU A 59 8.414 -3.788 1.099 1.00 0.00 C ATOM 910 C GLU A 59 7.847 -3.372 -0.265 1.00 0.00 C ATOM 911 O GLU A 59 8.571 -2.837 -1.105 1.00 0.00 O ATOM 912 CB GLU A 59 9.024 -5.194 0.998 1.00 0.00 C ATOM 913 CG GLU A 59 7.961 -6.207 0.559 1.00 0.00 C ATOM 914 CD GLU A 59 8.638 -7.477 0.052 1.00 0.00 C ATOM 915 OE1 GLU A 59 8.993 -8.305 0.874 1.00 0.00 O ATOM 916 OE2 GLU A 59 8.788 -7.603 -1.153 1.00 0.00 O ATOM 0 H GLU A 59 7.243 -4.620 2.641 1.00 0.00 H new ATOM 0 HA GLU A 59 9.193 -3.080 1.379 1.00 0.00 H new ATOM 0 HB2 GLU A 59 9.848 -5.190 0.284 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.439 -5.487 1.962 1.00 0.00 H new ATOM 0 HG2 GLU A 59 7.303 -6.443 1.395 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.338 -5.778 -0.226 1.00 0.00 H new ATOM 923 N MET A 60 6.546 -3.610 -0.470 1.00 0.00 N ATOM 924 CA MET A 60 5.898 -3.241 -1.730 1.00 0.00 C ATOM 925 C MET A 60 5.764 -1.720 -1.831 1.00 0.00 C ATOM 926 O MET A 60 6.057 -1.131 -2.873 1.00 0.00 O ATOM 927 CB MET A 60 4.508 -3.877 -1.830 1.00 0.00 C ATOM 928 CG MET A 60 4.644 -5.343 -2.248 1.00 0.00 C ATOM 929 SD MET A 60 3.101 -5.899 -3.015 1.00 0.00 S ATOM 930 CE MET A 60 3.517 -5.450 -4.719 1.00 0.00 C ATOM 0 H MET A 60 5.929 -4.051 0.212 1.00 0.00 H new ATOM 0 HA MET A 60 6.518 -3.608 -2.548 1.00 0.00 H new ATOM 0 HB2 MET A 60 3.995 -3.808 -0.871 1.00 0.00 H new ATOM 0 HB3 MET A 60 3.901 -3.336 -2.556 1.00 0.00 H new ATOM 0 HG2 MET A 60 5.472 -5.457 -2.948 1.00 0.00 H new ATOM 0 HG3 MET A 60 4.873 -5.960 -1.379 1.00 0.00 H new ATOM 0 HE1 MET A 60 2.763 -5.852 -5.396 1.00 0.00 H new ATOM 0 HE2 MET A 60 3.547 -4.364 -4.812 1.00 0.00 H new ATOM 0 HE3 MET A 60 4.492 -5.863 -4.976 1.00 0.00 H new ATOM 940 N ILE A 61 5.322 -1.095 -0.732 1.00 0.00 N ATOM 941 CA ILE A 61 5.149 0.360 -0.685 1.00 0.00 C ATOM 942 C ILE A 61 6.442 1.079 -1.085 1.00 0.00 C ATOM 943 O ILE A 61 6.509 1.712 -2.138 1.00 0.00 O ATOM 944 CB ILE A 61 4.751 0.791 0.729 1.00 0.00 C ATOM 945 CG1 ILE A 61 3.343 0.283 1.037 1.00 0.00 C ATOM 946 CG2 ILE A 61 4.782 2.316 0.840 1.00 0.00 C ATOM 947 CD1 ILE A 61 3.265 -0.135 2.504 1.00 0.00 C ATOM 0 H ILE A 61 5.078 -1.575 0.135 1.00 0.00 H new ATOM 0 HA ILE A 61 4.364 0.631 -1.391 1.00 0.00 H new ATOM 0 HB ILE A 61 5.457 0.369 1.444 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.610 1.062 0.830 1.00 0.00 H new ATOM 0 HG13 ILE A 61 3.100 -0.562 0.393 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.497 2.613 1.849 1.00 0.00 H new ATOM 0 HG22 ILE A 61 5.788 2.676 0.626 1.00 0.00 H new ATOM 0 HG23 ILE A 61 4.082 2.747 0.124 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.261 -0.498 2.726 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.988 -0.928 2.695 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.490 0.722 3.139 1.00 0.00 H new ATOM 959 N ASP A 62 7.460 0.982 -0.223 1.00 0.00 N ATOM 960 CA ASP A 62 8.753 1.631 -0.484 1.00 0.00 C ATOM 961 C ASP A 62 9.269 1.311 -1.893 1.00 0.00 C ATOM 962 O ASP A 62 9.894 2.156 -2.538 1.00 0.00 O ATOM 963 CB ASP A 62 9.799 1.183 0.542 1.00 0.00 C ATOM 964 CG ASP A 62 10.777 2.325 0.807 1.00 0.00 C ATOM 965 OD1 ASP A 62 11.743 2.435 0.069 1.00 0.00 O ATOM 966 OD2 ASP A 62 10.544 3.074 1.741 1.00 0.00 O ATOM 0 H ASP A 62 7.417 0.465 0.655 1.00 0.00 H new ATOM 0 HA ASP A 62 8.594 2.706 -0.403 1.00 0.00 H new ATOM 0 HB2 ASP A 62 9.310 0.887 1.470 1.00 0.00 H new ATOM 0 HB3 ASP A 62 10.336 0.309 0.172 1.00 0.00 H new ATOM 971 N GLU A 63 9.005 0.085 -2.362 1.00 0.00 N ATOM 972 CA GLU A 63 9.450 -0.333 -3.696 1.00 0.00 C ATOM 973 C GLU A 63 8.776 0.497 -4.793 1.00 0.00 C ATOM 974 O GLU A 63 9.445 1.021 -5.685 1.00 0.00 O ATOM 975 CB GLU A 63 9.131 -1.815 -3.934 1.00 0.00 C ATOM 976 CG GLU A 63 10.370 -2.665 -3.639 1.00 0.00 C ATOM 977 CD GLU A 63 11.276 -2.695 -4.868 1.00 0.00 C ATOM 978 OE1 GLU A 63 11.067 -3.549 -5.715 1.00 0.00 O ATOM 979 OE2 GLU A 63 12.165 -1.863 -4.945 1.00 0.00 O ATOM 0 H GLU A 63 8.491 -0.628 -1.844 1.00 0.00 H new ATOM 0 HA GLU A 63 10.528 -0.175 -3.739 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.305 -2.126 -3.295 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.811 -1.967 -4.965 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.911 -2.254 -2.786 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.072 -3.678 -3.369 1.00 0.00 H new ATOM 986 N VAL A 64 7.444 0.602 -4.722 1.00 0.00 N ATOM 987 CA VAL A 64 6.684 1.360 -5.727 1.00 0.00 C ATOM 988 C VAL A 64 6.842 2.875 -5.543 1.00 0.00 C ATOM 989 O VAL A 64 6.654 3.635 -6.495 1.00 0.00 O ATOM 990 CB VAL A 64 5.192 1.007 -5.671 1.00 0.00 C ATOM 991 CG1 VAL A 64 5.012 -0.506 -5.823 1.00 0.00 C ATOM 992 CG2 VAL A 64 4.596 1.463 -4.335 1.00 0.00 C ATOM 0 H VAL A 64 6.874 0.178 -3.990 1.00 0.00 H new ATOM 0 HA VAL A 64 7.092 1.080 -6.698 1.00 0.00 H new ATOM 0 HB VAL A 64 4.677 1.516 -6.485 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.951 -0.752 -5.783 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.423 -0.827 -6.780 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.534 -1.018 -5.014 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.537 1.209 -4.303 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.114 0.963 -3.516 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.713 2.542 -4.234 1.00 0.00 H new ATOM 1002 N ASP A 65 7.179 3.309 -4.319 1.00 0.00 N ATOM 1003 CA ASP A 65 7.347 4.736 -4.048 1.00 0.00 C ATOM 1004 C ASP A 65 8.594 5.251 -4.771 1.00 0.00 C ATOM 1005 O ASP A 65 9.705 5.237 -4.232 1.00 0.00 O ATOM 1006 CB ASP A 65 7.469 4.993 -2.539 1.00 0.00 C ATOM 1007 CG ASP A 65 6.666 6.238 -2.161 1.00 0.00 C ATOM 1008 OD1 ASP A 65 7.025 7.314 -2.607 1.00 0.00 O ATOM 1009 OD2 ASP A 65 5.699 6.095 -1.431 1.00 0.00 O ATOM 0 H ASP A 65 7.337 2.700 -3.516 1.00 0.00 H new ATOM 0 HA ASP A 65 6.469 5.268 -4.414 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.103 4.130 -1.983 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.516 5.127 -2.267 1.00 0.00 H new ATOM 1014 N GLU A 66 8.387 5.674 -6.020 1.00 0.00 N ATOM 1015 CA GLU A 66 9.479 6.166 -6.871 1.00 0.00 C ATOM 1016 C GLU A 66 10.140 7.423 -6.303 1.00 0.00 C ATOM 1017 O GLU A 66 11.367 7.550 -6.327 1.00 0.00 O ATOM 1018 CB GLU A 66 8.954 6.479 -8.274 1.00 0.00 C ATOM 1019 CG GLU A 66 8.607 5.172 -8.994 1.00 0.00 C ATOM 1020 CD GLU A 66 8.749 5.364 -10.501 1.00 0.00 C ATOM 1021 OE1 GLU A 66 7.783 5.780 -11.120 1.00 0.00 O ATOM 1022 OE2 GLU A 66 9.823 5.091 -11.014 1.00 0.00 O ATOM 0 H GLU A 66 7.471 5.687 -6.468 1.00 0.00 H new ATOM 0 HA GLU A 66 10.228 5.375 -6.910 1.00 0.00 H new ATOM 0 HB2 GLU A 66 8.072 7.116 -8.210 1.00 0.00 H new ATOM 0 HB3 GLU A 66 9.705 7.030 -8.840 1.00 0.00 H new ATOM 0 HG2 GLU A 66 9.266 4.373 -8.655 1.00 0.00 H new ATOM 0 HG3 GLU A 66 7.588 4.870 -8.750 1.00 0.00 H new ATOM 1029 N ASP A 67 9.326 8.354 -5.803 1.00 0.00 N ATOM 1030 CA ASP A 67 9.866 9.600 -5.247 1.00 0.00 C ATOM 1031 C ASP A 67 10.306 9.410 -3.793 1.00 0.00 C ATOM 1032 O ASP A 67 11.306 9.986 -3.360 1.00 0.00 O ATOM 1033 CB ASP A 67 8.842 10.749 -5.325 1.00 0.00 C ATOM 1034 CG ASP A 67 7.434 10.253 -4.986 1.00 0.00 C ATOM 1035 OD1 ASP A 67 7.156 10.060 -3.814 1.00 0.00 O ATOM 1036 OD2 ASP A 67 6.652 10.077 -5.908 1.00 0.00 O ATOM 0 H ASP A 67 8.310 8.275 -5.770 1.00 0.00 H new ATOM 0 HA ASP A 67 10.733 9.865 -5.852 1.00 0.00 H new ATOM 0 HB2 ASP A 67 9.128 11.543 -4.635 1.00 0.00 H new ATOM 0 HB3 ASP A 67 8.849 11.179 -6.326 1.00 0.00 H new ATOM 1041 N GLY A 68 9.549 8.602 -3.046 1.00 0.00 N ATOM 1042 CA GLY A 68 9.867 8.350 -1.642 1.00 0.00 C ATOM 1043 C GLY A 68 9.577 9.591 -0.805 1.00 0.00 C ATOM 1044 O GLY A 68 10.424 10.053 -0.040 1.00 0.00 O ATOM 0 H GLY A 68 8.720 8.116 -3.388 1.00 0.00 H new ATOM 0 HA2 GLY A 68 9.280 7.509 -1.274 1.00 0.00 H new ATOM 0 HA3 GLY A 68 10.917 8.073 -1.543 1.00 0.00 H new ATOM 1048 N SER A 69 8.369 10.132 -0.976 1.00 0.00 N ATOM 1049 CA SER A 69 7.963 11.333 -0.250 1.00 0.00 C ATOM 1050 C SER A 69 7.289 10.973 1.076 1.00 0.00 C ATOM 1051 O SER A 69 7.660 11.487 2.133 1.00 0.00 O ATOM 1052 CB SER A 69 6.994 12.164 -1.097 1.00 0.00 C ATOM 1053 OG SER A 69 5.922 11.338 -1.542 1.00 0.00 O ATOM 0 H SER A 69 7.660 9.759 -1.607 1.00 0.00 H new ATOM 0 HA SER A 69 8.861 11.915 -0.043 1.00 0.00 H new ATOM 0 HB2 SER A 69 6.606 12.998 -0.512 1.00 0.00 H new ATOM 0 HB3 SER A 69 7.517 12.591 -1.953 1.00 0.00 H new ATOM 0 HG SER A 69 6.194 10.856 -2.351 1.00 0.00 H new ATOM 1059 N GLY A 70 6.292 10.091 1.000 1.00 0.00 N ATOM 1060 CA GLY A 70 5.554 9.665 2.190 1.00 0.00 C ATOM 1061 C GLY A 70 4.152 9.188 1.814 1.00 0.00 C ATOM 1062 O GLY A 70 3.592 8.298 2.456 1.00 0.00 O ATOM 0 H GLY A 70 5.978 9.659 0.131 1.00 0.00 H new ATOM 0 HA2 GLY A 70 6.095 8.862 2.691 1.00 0.00 H new ATOM 0 HA3 GLY A 70 5.485 10.492 2.897 1.00 0.00 H new ATOM 1066 N THR A 71 3.595 9.790 0.758 1.00 0.00 N ATOM 1067 CA THR A 71 2.263 9.421 0.287 1.00 0.00 C ATOM 1068 C THR A 71 2.376 8.575 -0.979 1.00 0.00 C ATOM 1069 O THR A 71 3.322 8.722 -1.757 1.00 0.00 O ATOM 1070 CB THR A 71 1.425 10.669 -0.018 1.00 0.00 C ATOM 1071 OG1 THR A 71 2.009 11.388 -1.098 1.00 0.00 O ATOM 1072 CG2 THR A 71 1.368 11.567 1.219 1.00 0.00 C ATOM 0 H THR A 71 4.045 10.530 0.219 1.00 0.00 H new ATOM 0 HA THR A 71 1.772 8.849 1.074 1.00 0.00 H new ATOM 0 HB THR A 71 0.415 10.363 -0.291 1.00 0.00 H new ATOM 0 HG1 THR A 71 1.470 12.183 -1.291 1.00 0.00 H new ATOM 0 HG21 THR A 71 0.772 12.453 0.999 1.00 0.00 H new ATOM 0 HG22 THR A 71 0.914 11.020 2.045 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.378 11.869 1.496 1.00 0.00 H new ATOM 1080 N VAL A 72 1.400 7.690 -1.179 1.00 0.00 N ATOM 1081 CA VAL A 72 1.405 6.827 -2.357 1.00 0.00 C ATOM 1082 C VAL A 72 0.492 7.402 -3.434 1.00 0.00 C ATOM 1083 O VAL A 72 -0.719 7.528 -3.241 1.00 0.00 O ATOM 1084 CB VAL A 72 0.941 5.410 -2.009 1.00 0.00 C ATOM 1085 CG1 VAL A 72 1.119 4.498 -3.229 1.00 0.00 C ATOM 1086 CG2 VAL A 72 1.774 4.868 -0.842 1.00 0.00 C ATOM 0 H VAL A 72 0.608 7.553 -0.551 1.00 0.00 H new ATOM 0 HA VAL A 72 2.429 6.779 -2.727 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.111 5.435 -1.723 1.00 0.00 H new ATOM 0 HG11 VAL A 72 0.789 3.489 -2.981 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.525 4.880 -4.059 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.170 4.475 -3.516 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.442 3.859 -0.596 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.826 4.845 -1.126 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.647 5.514 0.027 1.00 0.00 H new ATOM 1096 N ASP A 73 1.090 7.735 -4.576 1.00 0.00 N ATOM 1097 CA ASP A 73 0.330 8.285 -5.697 1.00 0.00 C ATOM 1098 C ASP A 73 -0.242 7.145 -6.534 1.00 0.00 C ATOM 1099 O ASP A 73 0.156 5.990 -6.375 1.00 0.00 O ATOM 1100 CB ASP A 73 1.221 9.157 -6.596 1.00 0.00 C ATOM 1101 CG ASP A 73 2.146 10.025 -5.740 1.00 0.00 C ATOM 1102 OD1 ASP A 73 1.715 11.090 -5.329 1.00 0.00 O ATOM 1103 OD2 ASP A 73 3.272 9.612 -5.513 1.00 0.00 O ATOM 0 H ASP A 73 2.090 7.635 -4.749 1.00 0.00 H new ATOM 0 HA ASP A 73 -0.472 8.901 -5.291 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.813 8.524 -7.257 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.601 9.790 -7.231 1.00 0.00 H new ATOM 1108 N PHE A 74 -1.173 7.475 -7.430 1.00 0.00 N ATOM 1109 CA PHE A 74 -1.777 6.456 -8.291 1.00 0.00 C ATOM 1110 C PHE A 74 -0.710 5.785 -9.159 1.00 0.00 C ATOM 1111 O PHE A 74 -0.803 4.594 -9.458 1.00 0.00 O ATOM 1112 CB PHE A 74 -2.850 7.062 -9.197 1.00 0.00 C ATOM 1113 CG PHE A 74 -3.810 5.976 -9.619 1.00 0.00 C ATOM 1114 CD1 PHE A 74 -4.440 5.185 -8.650 1.00 0.00 C ATOM 1115 CD2 PHE A 74 -4.065 5.756 -10.976 1.00 0.00 C ATOM 1116 CE1 PHE A 74 -5.328 4.177 -9.038 1.00 0.00 C ATOM 1117 CE2 PHE A 74 -4.954 4.748 -11.365 1.00 0.00 C ATOM 1118 CZ PHE A 74 -5.587 3.958 -10.396 1.00 0.00 C ATOM 0 H PHE A 74 -1.521 8.422 -7.578 1.00 0.00 H new ATOM 0 HA PHE A 74 -2.241 5.713 -7.642 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -3.384 7.853 -8.670 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.389 7.518 -10.073 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -4.240 5.354 -7.602 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -3.576 6.364 -11.723 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -5.814 3.568 -8.290 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -5.153 4.579 -12.413 1.00 0.00 H new ATOM 0 HZ PHE A 74 -6.274 3.181 -10.697 1.00 0.00 H new ATOM 1128 N ASP A 75 0.319 6.555 -9.539 1.00 0.00 N ATOM 1129 CA ASP A 75 1.413 6.013 -10.346 1.00 0.00 C ATOM 1130 C ASP A 75 2.135 4.918 -9.559 1.00 0.00 C ATOM 1131 O ASP A 75 2.534 3.895 -10.115 1.00 0.00 O ATOM 1132 CB ASP A 75 2.415 7.115 -10.709 1.00 0.00 C ATOM 1133 CG ASP A 75 2.087 7.665 -12.093 1.00 0.00 C ATOM 1134 OD1 ASP A 75 1.279 8.576 -12.171 1.00 0.00 O ATOM 1135 OD2 ASP A 75 2.648 7.167 -13.056 1.00 0.00 O ATOM 0 H ASP A 75 0.414 7.543 -9.303 1.00 0.00 H new ATOM 0 HA ASP A 75 0.994 5.600 -11.264 1.00 0.00 H new ATOM 0 HB2 ASP A 75 2.376 7.915 -9.970 1.00 0.00 H new ATOM 0 HB3 ASP A 75 3.430 6.717 -10.695 1.00 0.00 H new ATOM 1140 N GLU A 76 2.271 5.148 -8.247 1.00 0.00 N ATOM 1141 CA GLU A 76 2.915 4.183 -7.354 1.00 0.00 C ATOM 1142 C GLU A 76 1.916 3.085 -6.959 1.00 0.00 C ATOM 1143 O GLU A 76 2.304 1.981 -6.571 1.00 0.00 O ATOM 1144 CB GLU A 76 3.419 4.880 -6.080 1.00 0.00 C ATOM 1145 CG GLU A 76 3.991 6.264 -6.431 1.00 0.00 C ATOM 1146 CD GLU A 76 4.708 6.865 -5.220 1.00 0.00 C ATOM 1147 OE1 GLU A 76 4.129 6.869 -4.147 1.00 0.00 O ATOM 1148 OE2 GLU A 76 5.825 7.322 -5.387 1.00 0.00 O ATOM 0 H GLU A 76 1.943 5.995 -7.783 1.00 0.00 H new ATOM 0 HA GLU A 76 3.760 3.742 -7.882 1.00 0.00 H new ATOM 0 HB2 GLU A 76 2.603 4.985 -5.365 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.186 4.271 -5.601 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.685 6.177 -7.267 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.187 6.927 -6.752 1.00 0.00 H new ATOM 1155 N PHE A 77 0.622 3.412 -7.067 1.00 0.00 N ATOM 1156 CA PHE A 77 -0.450 2.476 -6.730 1.00 0.00 C ATOM 1157 C PHE A 77 -0.631 1.426 -7.837 1.00 0.00 C ATOM 1158 O PHE A 77 -0.906 0.258 -7.558 1.00 0.00 O ATOM 1159 CB PHE A 77 -1.761 3.255 -6.544 1.00 0.00 C ATOM 1160 CG PHE A 77 -2.794 2.398 -5.855 1.00 0.00 C ATOM 1161 CD1 PHE A 77 -2.671 2.103 -4.492 1.00 0.00 C ATOM 1162 CD2 PHE A 77 -3.882 1.906 -6.583 1.00 0.00 C ATOM 1163 CE1 PHE A 77 -3.637 1.314 -3.859 1.00 0.00 C ATOM 1164 CE2 PHE A 77 -4.847 1.115 -5.951 1.00 0.00 C ATOM 1165 CZ PHE A 77 -4.726 0.819 -4.589 1.00 0.00 C ATOM 0 H PHE A 77 0.294 4.323 -7.387 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.185 1.960 -5.807 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.576 4.154 -5.956 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.138 3.580 -7.514 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -1.831 2.484 -3.930 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.977 2.137 -7.634 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -3.544 1.086 -2.807 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -5.685 0.733 -6.514 1.00 0.00 H new ATOM 0 HZ PHE A 77 -5.472 0.209 -4.100 1.00 0.00 H new ATOM 1175 N LEU A 78 -0.484 1.861 -9.095 1.00 0.00 N ATOM 1176 CA LEU A 78 -0.642 0.963 -10.246 1.00 0.00 C ATOM 1177 C LEU A 78 0.565 0.032 -10.414 1.00 0.00 C ATOM 1178 O LEU A 78 0.403 -1.146 -10.739 1.00 0.00 O ATOM 1179 CB LEU A 78 -0.815 1.774 -11.538 1.00 0.00 C ATOM 1180 CG LEU A 78 -2.141 2.539 -11.680 1.00 0.00 C ATOM 1181 CD1 LEU A 78 -2.461 2.737 -13.163 1.00 0.00 C ATOM 1182 CD2 LEU A 78 -3.272 1.746 -11.023 1.00 0.00 C ATOM 0 H LEU A 78 -0.257 2.825 -9.341 1.00 0.00 H new ATOM 0 HA LEU A 78 -1.529 0.359 -10.056 1.00 0.00 H new ATOM 0 HB2 LEU A 78 0.004 2.490 -11.607 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.717 1.096 -12.385 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.047 3.508 -11.191 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -3.401 3.279 -13.263 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.661 3.307 -13.635 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.549 1.765 -13.649 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -4.209 2.294 -11.127 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.364 0.774 -11.508 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.050 1.604 -9.965 1.00 0.00 H new ATOM 1194 N VAL A 79 1.775 0.570 -10.206 1.00 0.00 N ATOM 1195 CA VAL A 79 3.001 -0.234 -10.355 1.00 0.00 C ATOM 1196 C VAL A 79 3.003 -1.443 -9.419 1.00 0.00 C ATOM 1197 O VAL A 79 3.652 -2.447 -9.698 1.00 0.00 O ATOM 1198 CB VAL A 79 4.267 0.591 -10.091 1.00 0.00 C ATOM 1199 CG1 VAL A 79 4.520 1.530 -11.271 1.00 0.00 C ATOM 1200 CG2 VAL A 79 4.116 1.411 -8.808 1.00 0.00 C ATOM 0 H VAL A 79 1.933 1.542 -9.939 1.00 0.00 H new ATOM 0 HA VAL A 79 3.007 -0.576 -11.390 1.00 0.00 H new ATOM 0 HB VAL A 79 5.110 -0.090 -9.974 1.00 0.00 H new ATOM 0 HG11 VAL A 79 5.420 2.116 -11.083 1.00 0.00 H new ATOM 0 HG12 VAL A 79 4.652 0.944 -12.181 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.669 2.200 -11.392 1.00 0.00 H new ATOM 0 HG21 VAL A 79 5.024 1.990 -8.637 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.267 2.088 -8.907 1.00 0.00 H new ATOM 0 HG23 VAL A 79 3.949 0.740 -7.965 1.00 0.00 H new ATOM 1210 N MET A 80 2.270 -1.338 -8.308 1.00 0.00 N ATOM 1211 CA MET A 80 2.186 -2.436 -7.337 1.00 0.00 C ATOM 1212 C MET A 80 1.933 -3.777 -8.044 1.00 0.00 C ATOM 1213 O MET A 80 2.486 -4.808 -7.656 1.00 0.00 O ATOM 1214 CB MET A 80 1.046 -2.182 -6.346 1.00 0.00 C ATOM 1215 CG MET A 80 1.613 -1.649 -5.027 1.00 0.00 C ATOM 1216 SD MET A 80 0.558 -0.311 -4.414 1.00 0.00 S ATOM 1217 CE MET A 80 -0.918 -1.308 -4.083 1.00 0.00 C ATOM 0 H MET A 80 1.729 -0.510 -8.058 1.00 0.00 H new ATOM 0 HA MET A 80 3.137 -2.482 -6.807 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.341 -1.465 -6.765 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.494 -3.105 -6.168 1.00 0.00 H new ATOM 0 HG2 MET A 80 1.666 -2.451 -4.291 1.00 0.00 H new ATOM 0 HG3 MET A 80 2.630 -1.286 -5.176 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.539 -0.804 -3.343 1.00 0.00 H new ATOM 0 HE2 MET A 80 -1.485 -1.436 -5.005 1.00 0.00 H new ATOM 0 HE3 MET A 80 -0.619 -2.284 -3.702 1.00 0.00 H new ATOM 1227 N MET A 81 1.094 -3.742 -9.088 1.00 0.00 N ATOM 1228 CA MET A 81 0.767 -4.953 -9.851 1.00 0.00 C ATOM 1229 C MET A 81 1.975 -5.441 -10.659 1.00 0.00 C ATOM 1230 O MET A 81 2.415 -6.581 -10.505 1.00 0.00 O ATOM 1231 CB MET A 81 -0.396 -4.683 -10.810 1.00 0.00 C ATOM 1232 CG MET A 81 -1.722 -5.012 -10.120 1.00 0.00 C ATOM 1233 SD MET A 81 -2.941 -5.513 -11.361 1.00 0.00 S ATOM 1234 CE MET A 81 -2.331 -7.197 -11.615 1.00 0.00 C ATOM 0 H MET A 81 0.633 -2.895 -9.421 1.00 0.00 H new ATOM 0 HA MET A 81 0.483 -5.724 -9.135 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.387 -3.639 -11.123 1.00 0.00 H new ATOM 0 HB3 MET A 81 -0.284 -5.286 -11.711 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.577 -5.812 -9.393 1.00 0.00 H new ATOM 0 HG3 MET A 81 -2.083 -4.143 -9.570 1.00 0.00 H new ATOM 0 HE1 MET A 81 -2.176 -7.371 -12.680 1.00 0.00 H new ATOM 0 HE2 MET A 81 -1.387 -7.326 -11.085 1.00 0.00 H new ATOM 0 HE3 MET A 81 -3.062 -7.910 -11.234 1.00 0.00 H new ATOM 1244 N VAL A 82 2.498 -4.565 -11.526 1.00 0.00 N ATOM 1245 CA VAL A 82 3.657 -4.912 -12.367 1.00 0.00 C ATOM 1246 C VAL A 82 4.873 -5.301 -11.516 1.00 0.00 C ATOM 1247 O VAL A 82 5.682 -6.136 -11.925 1.00 0.00 O ATOM 1248 CB VAL A 82 4.047 -3.743 -13.286 1.00 0.00 C ATOM 1249 CG1 VAL A 82 2.981 -3.558 -14.366 1.00 0.00 C ATOM 1250 CG2 VAL A 82 4.167 -2.454 -12.469 1.00 0.00 C ATOM 0 H VAL A 82 2.143 -3.619 -11.665 1.00 0.00 H new ATOM 0 HA VAL A 82 3.358 -5.766 -12.974 1.00 0.00 H new ATOM 0 HB VAL A 82 5.006 -3.966 -13.753 1.00 0.00 H new ATOM 0 HG11 VAL A 82 3.261 -2.729 -15.015 1.00 0.00 H new ATOM 0 HG12 VAL A 82 2.900 -4.470 -14.957 1.00 0.00 H new ATOM 0 HG13 VAL A 82 2.021 -3.343 -13.897 1.00 0.00 H new ATOM 0 HG21 VAL A 82 4.444 -1.630 -13.127 1.00 0.00 H new ATOM 0 HG22 VAL A 82 3.211 -2.234 -11.994 1.00 0.00 H new ATOM 0 HG23 VAL A 82 4.932 -2.579 -11.703 1.00 0.00 H new ATOM 1260 N ARG A 83 4.989 -4.693 -10.329 1.00 0.00 N ATOM 1261 CA ARG A 83 6.106 -4.987 -9.421 1.00 0.00 C ATOM 1262 C ARG A 83 6.110 -6.463 -9.021 1.00 0.00 C ATOM 1263 O ARG A 83 7.158 -7.027 -8.710 1.00 0.00 O ATOM 1264 CB ARG A 83 6.009 -4.133 -8.154 1.00 0.00 C ATOM 1265 CG ARG A 83 6.384 -2.685 -8.478 1.00 0.00 C ATOM 1266 CD ARG A 83 7.817 -2.408 -8.018 1.00 0.00 C ATOM 1267 NE ARG A 83 8.212 -1.039 -8.352 1.00 0.00 N ATOM 1268 CZ ARG A 83 9.495 -0.651 -8.351 1.00 0.00 C ATOM 1269 NH1 ARG A 83 10.452 -1.496 -8.042 1.00 0.00 N ATOM 1270 NH2 ARG A 83 9.796 0.584 -8.660 1.00 0.00 N ATOM 0 H ARG A 83 4.329 -4.000 -9.976 1.00 0.00 H new ATOM 0 HA ARG A 83 7.030 -4.754 -9.951 1.00 0.00 H new ATOM 0 HB2 ARG A 83 4.997 -4.175 -7.752 1.00 0.00 H new ATOM 0 HB3 ARG A 83 6.674 -4.528 -7.386 1.00 0.00 H new ATOM 0 HG2 ARG A 83 6.295 -2.507 -9.550 1.00 0.00 H new ATOM 0 HG3 ARG A 83 5.694 -2.001 -7.983 1.00 0.00 H new ATOM 0 HD2 ARG A 83 7.895 -2.562 -6.942 1.00 0.00 H new ATOM 0 HD3 ARG A 83 8.499 -3.114 -8.491 1.00 0.00 H new ATOM 0 HE ARG A 83 7.490 -0.360 -8.593 1.00 0.00 H new ATOM 0 HH11 ARG A 83 10.223 -2.460 -7.799 1.00 0.00 H new ATOM 0 HH12 ARG A 83 11.425 -1.188 -8.045 1.00 0.00 H new ATOM 0 HH21 ARG A 83 9.057 1.244 -8.900 1.00 0.00 H new ATOM 0 HH22 ARG A 83 10.770 0.886 -8.661 1.00 0.00 H new ATOM 1284 N CYS A 84 4.925 -7.084 -9.044 1.00 0.00 N ATOM 1285 CA CYS A 84 4.803 -8.501 -8.695 1.00 0.00 C ATOM 1286 C CYS A 84 5.497 -9.386 -9.740 1.00 0.00 C ATOM 1287 O CYS A 84 5.825 -10.541 -9.463 1.00 0.00 O ATOM 1288 CB CYS A 84 3.328 -8.903 -8.597 1.00 0.00 C ATOM 1289 SG CYS A 84 3.162 -10.362 -7.535 1.00 0.00 S ATOM 0 H CYS A 84 4.047 -6.632 -9.298 1.00 0.00 H new ATOM 0 HA CYS A 84 5.286 -8.646 -7.729 1.00 0.00 H new ATOM 0 HB2 CYS A 84 2.742 -8.078 -8.192 1.00 0.00 H new ATOM 0 HB3 CYS A 84 2.933 -9.117 -9.590 1.00 0.00 H new ATOM 0 HG CYS A 84 1.909 -10.699 -7.453 1.00 0.00 H new