USER MOD reduce.3.24.130724 H: found=0, std=0, add=782, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 780 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: C 11 SER OG : rot 180:sc= 0 USER MOD Set 1.2: C 21 THR OG1 : rot 180:sc=-0.00706 USER MOD Set 2.1: A 13 ASN : amide:sc= -0.175 K(o=-0.17,f=-1.7) USER MOD Set 2.2: A 19 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 11 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 21 THR OG1 : rot 180:sc= -0.0128 USER MOD Single : A 1 MET CE :methyl -125:sc= -0.0321 (180deg=-0.367) USER MOD Single : A 1 MET N :NH3+ 138:sc= 0.0433 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN :FLIP amide:sc= -0.302 F(o=-1,f=-0.3) USER MOD Single : A 29 GLN : amide:sc= -0.232 X(o=-0.23,f=-0.52) USER MOD Single : A 35 ASN : amide:sc=-0.00798 K(o=-0.008,f=-1.2) USER MOD Single : A 38 LYS NZ :NH3+ -162:sc= -0.0251 (180deg=-0.289) USER MOD Single : A 43 HIS : no HE2:sc= -1.85 K(o=-1.9,f=-3.4!) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : C 1 MET CE :methyl -126:sc=-0.00716 (180deg=-0.287) USER MOD Single : C 1 MET N :NH3+ 134:sc= 0.0171 (180deg=0) USER MOD Single : C 5 THR OG1 : rot 140:sc= 0.779 USER MOD Single : C 7 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.132) USER MOD Single : C 13 ASN : amide:sc= -0.4 X(o=-0.4,f=0) USER MOD Single : C 19 THR OG1 : rot 180:sc= 0 USER MOD Single : C 26 SER OG : rot 180:sc= 0 USER MOD Single : C 28 GLN :FLIP amide:sc= -1.28 F(o=-2.7,f=-1.3) USER MOD Single : C 29 GLN : amide:sc= -0.339 X(o=-0.34,f=-0.37) USER MOD Single : C 35 ASN : amide:sc= -0.0533 K(o=-0.053,f=-1.5) USER MOD Single : C 38 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00521) USER MOD Single : C 43 HIS : no HE2:sc= -2.79 K(o=-2.8,f=-4.3!) USER MOD Single : C 48 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.913 -5.378 -11.463 1.00 0.00 N ATOM 2 CA MET A 1 -5.844 -4.488 -10.284 1.00 0.00 C ATOM 3 C MET A 1 -6.946 -4.837 -9.292 1.00 0.00 C ATOM 4 O MET A 1 -8.032 -5.250 -9.691 1.00 0.00 O ATOM 5 CB MET A 1 -5.995 -3.025 -10.705 1.00 0.00 C ATOM 6 CG MET A 1 -5.630 -2.039 -9.593 1.00 0.00 C ATOM 7 SD MET A 1 -3.863 -1.736 -9.408 1.00 0.00 S ATOM 8 CE MET A 1 -3.703 -0.662 -10.848 1.00 0.00 C ATOM 0 H1 MET A 1 -5.756 -4.822 -12.328 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.181 -6.113 -11.387 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.850 -5.827 -11.505 1.00 0.00 H new ATOM 0 HA MET A 1 -4.871 -4.628 -9.812 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.362 -2.836 -11.572 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.024 -2.847 -11.016 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.129 -1.090 -9.789 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.021 -2.416 -8.648 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.930 -1.053 -11.509 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.653 -0.625 -11.382 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.430 0.342 -10.524 1.00 0.00 H new ATOM 20 N LEU A 2 -6.659 -4.665 -8.000 1.00 0.00 N ATOM 21 CA LEU A 2 -7.640 -4.805 -6.942 1.00 0.00 C ATOM 22 C LEU A 2 -7.521 -3.555 -6.079 1.00 0.00 C ATOM 23 O LEU A 2 -6.517 -3.349 -5.402 1.00 0.00 O ATOM 24 CB LEU A 2 -7.381 -6.119 -6.192 1.00 0.00 C ATOM 25 CG LEU A 2 -8.358 -6.411 -5.045 1.00 0.00 C ATOM 26 CD1 LEU A 2 -7.939 -5.698 -3.765 1.00 0.00 C ATOM 27 CD2 LEU A 2 -9.792 -6.015 -5.394 1.00 0.00 C ATOM 0 H LEU A 2 -5.727 -4.422 -7.664 1.00 0.00 H new ATOM 0 HA LEU A 2 -8.666 -4.873 -7.303 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -7.424 -6.942 -6.905 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -6.368 -6.098 -5.791 1.00 0.00 H new ATOM 0 HG LEU A 2 -8.326 -7.489 -4.885 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -8.651 -5.925 -2.972 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -6.946 -6.036 -3.469 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -7.919 -4.622 -3.938 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -10.447 -6.240 -4.552 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -9.832 -4.947 -5.609 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -10.121 -6.575 -6.270 1.00 0.00 H new ATOM 39 N ILE A 3 -8.561 -2.717 -6.113 1.00 0.00 N ATOM 40 CA ILE A 3 -8.556 -1.430 -5.448 1.00 0.00 C ATOM 41 C ILE A 3 -9.208 -1.541 -4.086 1.00 0.00 C ATOM 42 O ILE A 3 -10.133 -2.328 -3.883 1.00 0.00 O ATOM 43 CB ILE A 3 -9.267 -0.371 -6.303 1.00 0.00 C ATOM 44 CG1 ILE A 3 -8.449 -0.070 -7.560 1.00 0.00 C ATOM 45 CG2 ILE A 3 -9.420 0.953 -5.551 1.00 0.00 C ATOM 46 CD1 ILE A 3 -8.770 -1.029 -8.695 1.00 0.00 C ATOM 0 H ILE A 3 -9.429 -2.922 -6.607 1.00 0.00 H new ATOM 0 HA ILE A 3 -7.521 -1.116 -5.314 1.00 0.00 H new ATOM 0 HB ILE A 3 -10.248 -0.778 -6.550 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -8.645 0.952 -7.883 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -7.387 -0.131 -7.324 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -9.927 1.677 -6.189 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -10.007 0.792 -4.646 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -8.435 1.334 -5.282 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -8.166 -0.777 -9.566 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -8.548 -2.050 -8.383 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -9.827 -0.949 -8.951 1.00 0.00 H new ATOM 58 N LEU A 4 -8.707 -0.726 -3.164 1.00 0.00 N ATOM 59 CA LEU A 4 -9.193 -0.618 -1.808 1.00 0.00 C ATOM 60 C LEU A 4 -9.142 0.852 -1.412 1.00 0.00 C ATOM 61 O LEU A 4 -8.371 1.631 -1.973 1.00 0.00 O ATOM 62 CB LEU A 4 -8.320 -1.462 -0.877 1.00 0.00 C ATOM 63 CG LEU A 4 -8.461 -2.964 -1.153 1.00 0.00 C ATOM 64 CD1 LEU A 4 -7.444 -3.714 -0.299 1.00 0.00 C ATOM 65 CD2 LEU A 4 -9.859 -3.454 -0.790 1.00 0.00 C ATOM 0 H LEU A 4 -7.923 -0.103 -3.355 1.00 0.00 H new ATOM 0 HA LEU A 4 -10.216 -0.986 -1.732 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -7.277 -1.169 -0.996 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -8.593 -1.258 0.158 1.00 0.00 H new ATOM 0 HG LEU A 4 -8.290 -3.145 -2.214 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -7.532 -4.784 -0.484 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -6.438 -3.383 -0.556 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -7.634 -3.511 0.755 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -9.935 -4.522 -0.994 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -10.044 -3.273 0.269 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -10.598 -2.917 -1.385 1.00 0.00 H new ATOM 77 N THR A 5 -9.967 1.222 -0.440 1.00 0.00 N ATOM 78 CA THR A 5 -10.045 2.597 0.014 1.00 0.00 C ATOM 79 C THR A 5 -9.843 2.599 1.517 1.00 0.00 C ATOM 80 O THR A 5 -10.318 1.706 2.219 1.00 0.00 O ATOM 81 CB THR A 5 -11.383 3.197 -0.418 1.00 0.00 C ATOM 82 OG1 THR A 5 -11.507 3.045 -1.815 1.00 0.00 O ATOM 83 CG2 THR A 5 -11.472 4.690 -0.099 1.00 0.00 C ATOM 0 H THR A 5 -10.593 0.582 0.049 1.00 0.00 H new ATOM 0 HA THR A 5 -9.270 3.221 -0.431 1.00 0.00 H new ATOM 0 HB THR A 5 -12.175 2.680 0.124 1.00 0.00 H new ATOM 0 HG1 THR A 5 -12.361 3.423 -2.111 1.00 0.00 H new ATOM 0 HG21 THR A 5 -12.439 5.074 -0.423 1.00 0.00 H new ATOM 0 HG22 THR A 5 -11.364 4.840 0.975 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.677 5.222 -0.621 1.00 0.00 H new ATOM 91 N ARG A 6 -9.132 3.612 2.007 1.00 0.00 N ATOM 92 CA ARG A 6 -8.656 3.650 3.375 1.00 0.00 C ATOM 93 C ARG A 6 -8.716 5.083 3.886 1.00 0.00 C ATOM 94 O ARG A 6 -9.099 5.977 3.140 1.00 0.00 O ATOM 95 CB ARG A 6 -7.209 3.147 3.341 1.00 0.00 C ATOM 96 CG ARG A 6 -6.710 2.511 4.638 1.00 0.00 C ATOM 97 CD ARG A 6 -7.425 1.203 4.981 1.00 0.00 C ATOM 98 NE ARG A 6 -8.705 1.423 5.663 1.00 0.00 N ATOM 99 CZ ARG A 6 -9.471 0.441 6.142 1.00 0.00 C ATOM 100 NH1 ARG A 6 -9.104 -0.830 6.021 1.00 0.00 N ATOM 101 NH2 ARG A 6 -10.615 0.732 6.749 1.00 0.00 N ATOM 0 H ARG A 6 -8.872 4.431 1.458 1.00 0.00 H new ATOM 0 HA ARG A 6 -9.262 3.033 4.038 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -7.114 2.417 2.537 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -6.556 3.983 3.091 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -5.640 2.322 4.554 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -6.845 3.217 5.457 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -7.598 0.637 4.066 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -6.779 0.595 5.615 1.00 0.00 H new ATOM 0 HE ARG A 6 -9.029 2.383 5.778 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -8.227 -1.066 5.557 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -9.700 -1.570 6.392 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -10.907 1.704 6.848 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -11.202 -0.017 7.116 1.00 0.00 H new ATOM 115 N LYS A 7 -8.345 5.313 5.145 1.00 0.00 N ATOM 116 CA LYS A 7 -8.214 6.660 5.676 1.00 0.00 C ATOM 117 C LYS A 7 -7.077 6.650 6.685 1.00 0.00 C ATOM 118 O LYS A 7 -6.764 5.604 7.252 1.00 0.00 O ATOM 119 CB LYS A 7 -9.556 7.103 6.268 1.00 0.00 C ATOM 120 CG LYS A 7 -9.552 8.548 6.769 1.00 0.00 C ATOM 121 CD LYS A 7 -10.982 9.016 7.054 1.00 0.00 C ATOM 122 CE LYS A 7 -11.662 8.139 8.110 1.00 0.00 C ATOM 123 NZ LYS A 7 -13.065 8.549 8.306 1.00 0.00 N ATOM 0 H LYS A 7 -8.130 4.576 5.816 1.00 0.00 H new ATOM 0 HA LYS A 7 -7.968 7.387 4.902 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -10.333 6.991 5.512 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -9.817 6.441 7.094 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -8.950 8.624 7.674 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -9.091 9.197 6.024 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -10.966 10.051 7.395 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -11.563 8.994 6.132 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -11.623 7.094 7.801 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -11.121 8.213 9.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -13.507 7.942 9.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -13.096 9.539 8.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -13.583 8.455 7.409 1.00 0.00 H new ATOM 137 N VAL A 8 -6.458 7.810 6.910 1.00 0.00 N ATOM 138 CA VAL A 8 -5.254 7.842 7.725 1.00 0.00 C ATOM 139 C VAL A 8 -5.468 7.181 9.081 1.00 0.00 C ATOM 140 O VAL A 8 -6.383 7.537 9.823 1.00 0.00 O ATOM 141 CB VAL A 8 -4.683 9.254 7.838 1.00 0.00 C ATOM 142 CG1 VAL A 8 -4.459 9.769 6.418 1.00 0.00 C ATOM 143 CG2 VAL A 8 -5.569 10.250 8.580 1.00 0.00 C ATOM 0 H VAL A 8 -6.763 8.714 6.549 1.00 0.00 H new ATOM 0 HA VAL A 8 -4.499 7.246 7.212 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.767 9.180 8.425 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -4.050 10.779 6.457 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.759 9.114 5.900 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -5.408 9.782 5.882 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -5.078 11.223 8.608 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -6.525 10.340 8.065 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -5.737 9.899 9.598 1.00 0.00 H new ATOM 153 N GLY A 9 -4.610 6.205 9.389 1.00 0.00 N ATOM 154 CA GLY A 9 -4.667 5.466 10.645 1.00 0.00 C ATOM 155 C GLY A 9 -5.272 4.066 10.505 1.00 0.00 C ATOM 156 O GLY A 9 -5.521 3.415 11.519 1.00 0.00 O ATOM 0 H GLY A 9 -3.856 5.907 8.770 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -3.659 5.378 11.052 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -5.253 6.036 11.366 1.00 0.00 H new ATOM 160 N GLU A 10 -5.519 3.592 9.280 1.00 0.00 N ATOM 161 CA GLU A 10 -6.117 2.276 9.049 1.00 0.00 C ATOM 162 C GLU A 10 -5.158 1.344 8.292 1.00 0.00 C ATOM 163 O GLU A 10 -4.037 1.735 7.966 1.00 0.00 O ATOM 164 CB GLU A 10 -7.450 2.438 8.322 1.00 0.00 C ATOM 165 CG GLU A 10 -8.435 3.307 9.111 1.00 0.00 C ATOM 166 CD GLU A 10 -9.764 3.442 8.370 1.00 0.00 C ATOM 167 OE1 GLU A 10 -9.725 3.538 7.123 1.00 0.00 O ATOM 168 OE2 GLU A 10 -10.811 3.445 9.060 1.00 0.00 O ATOM 0 H GLU A 10 -5.311 4.108 8.425 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.307 1.803 10.012 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -7.277 2.885 7.343 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -7.891 1.456 8.150 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -8.606 2.868 10.094 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -8.004 4.295 9.274 1.00 0.00 H new ATOM 175 N SER A 11 -5.590 0.103 8.014 1.00 0.00 N ATOM 176 CA SER A 11 -4.702 -0.944 7.519 1.00 0.00 C ATOM 177 C SER A 11 -5.257 -1.742 6.336 1.00 0.00 C ATOM 178 O SER A 11 -6.453 -1.706 6.039 1.00 0.00 O ATOM 179 CB SER A 11 -4.429 -1.912 8.674 1.00 0.00 C ATOM 180 OG SER A 11 -3.679 -1.269 9.682 1.00 0.00 O ATOM 0 H SER A 11 -6.559 -0.194 8.127 1.00 0.00 H new ATOM 0 HA SER A 11 -3.802 -0.449 7.155 1.00 0.00 H new ATOM 0 HB2 SER A 11 -5.371 -2.273 9.086 1.00 0.00 H new ATOM 0 HB3 SER A 11 -3.887 -2.784 8.307 1.00 0.00 H new ATOM 0 HG SER A 11 -3.512 -1.897 10.416 1.00 0.00 H new ATOM 186 N ILE A 12 -4.355 -2.469 5.664 1.00 0.00 N ATOM 187 CA ILE A 12 -4.616 -3.334 4.516 1.00 0.00 C ATOM 188 C ILE A 12 -3.669 -4.532 4.622 1.00 0.00 C ATOM 189 O ILE A 12 -2.667 -4.460 5.333 1.00 0.00 O ATOM 190 CB ILE A 12 -4.408 -2.545 3.213 1.00 0.00 C ATOM 191 CG1 ILE A 12 -5.513 -1.488 3.083 1.00 0.00 C ATOM 192 CG2 ILE A 12 -4.397 -3.461 1.975 1.00 0.00 C ATOM 193 CD1 ILE A 12 -5.467 -0.765 1.740 1.00 0.00 C ATOM 0 H ILE A 12 -3.369 -2.466 5.925 1.00 0.00 H new ATOM 0 HA ILE A 12 -5.646 -3.690 4.508 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.432 -2.062 3.260 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -6.485 -1.965 3.203 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -5.413 -0.760 3.889 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -4.247 -2.859 1.079 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -3.587 -4.185 2.065 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -5.349 -3.988 1.904 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -6.268 -0.027 1.696 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -4.506 -0.263 1.630 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -5.594 -1.487 0.933 1.00 0.00 H new ATOM 205 N ASN A 13 -3.966 -5.636 3.927 1.00 0.00 N ATOM 206 CA ASN A 13 -3.184 -6.859 4.059 1.00 0.00 C ATOM 207 C ASN A 13 -2.917 -7.529 2.711 1.00 0.00 C ATOM 208 O ASN A 13 -3.679 -7.359 1.760 1.00 0.00 O ATOM 209 CB ASN A 13 -3.923 -7.821 4.989 1.00 0.00 C ATOM 210 CG ASN A 13 -4.061 -7.250 6.395 1.00 0.00 C ATOM 211 OD1 ASN A 13 -4.985 -6.495 6.676 1.00 0.00 O ATOM 212 ND2 ASN A 13 -3.148 -7.607 7.291 1.00 0.00 N ATOM 0 H ASN A 13 -4.743 -5.702 3.269 1.00 0.00 H new ATOM 0 HA ASN A 13 -2.212 -6.596 4.477 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -4.912 -8.032 4.583 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -3.387 -8.769 5.032 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -3.203 -7.251 8.245 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -2.391 -8.237 7.025 1.00 0.00 H new ATOM 219 N ILE A 14 -1.821 -8.290 2.649 1.00 0.00 N ATOM 220 CA ILE A 14 -1.385 -9.011 1.459 1.00 0.00 C ATOM 221 C ILE A 14 -0.788 -10.348 1.888 1.00 0.00 C ATOM 222 O ILE A 14 -0.021 -10.416 2.852 1.00 0.00 O ATOM 223 CB ILE A 14 -0.336 -8.185 0.697 1.00 0.00 C ATOM 224 CG1 ILE A 14 -0.917 -6.827 0.279 1.00 0.00 C ATOM 225 CG2 ILE A 14 0.158 -8.975 -0.521 1.00 0.00 C ATOM 226 CD1 ILE A 14 0.104 -5.973 -0.470 1.00 0.00 C ATOM 0 H ILE A 14 -1.200 -8.422 3.447 1.00 0.00 H new ATOM 0 HA ILE A 14 -2.235 -9.182 0.799 1.00 0.00 H new ATOM 0 HB ILE A 14 0.513 -7.992 1.353 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -1.790 -6.986 -0.354 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.258 -6.291 1.165 1.00 0.00 H new ATOM 0 HG21 ILE A 14 0.901 -8.387 -1.059 1.00 0.00 H new ATOM 0 HG22 ILE A 14 0.607 -9.912 -0.190 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -0.682 -9.189 -1.181 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -0.350 -5.022 -0.746 1.00 0.00 H new ATOM 0 HD12 ILE A 14 0.966 -5.791 0.171 1.00 0.00 H new ATOM 0 HD13 ILE A 14 0.426 -6.496 -1.370 1.00 0.00 H new ATOM 238 N GLY A 15 -1.137 -11.419 1.171 1.00 0.00 N ATOM 239 CA GLY A 15 -0.665 -12.759 1.474 1.00 0.00 C ATOM 240 C GLY A 15 -0.941 -13.115 2.929 1.00 0.00 C ATOM 241 O GLY A 15 -1.951 -12.702 3.503 1.00 0.00 O ATOM 0 H GLY A 15 -1.757 -11.374 0.363 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -1.156 -13.479 0.820 1.00 0.00 H new ATOM 0 HA3 GLY A 15 0.405 -12.826 1.275 1.00 0.00 H new ATOM 245 N ASP A 16 -0.033 -13.886 3.528 1.00 0.00 N ATOM 246 CA ASP A 16 -0.096 -14.260 4.932 1.00 0.00 C ATOM 247 C ASP A 16 1.199 -13.856 5.643 1.00 0.00 C ATOM 248 O ASP A 16 1.478 -14.324 6.746 1.00 0.00 O ATOM 249 CB ASP A 16 -0.413 -15.753 5.065 1.00 0.00 C ATOM 250 CG ASP A 16 0.695 -16.646 4.512 1.00 0.00 C ATOM 251 OD1 ASP A 16 0.884 -16.640 3.272 1.00 0.00 O ATOM 252 OD2 ASP A 16 1.347 -17.332 5.333 1.00 0.00 O ATOM 0 H ASP A 16 0.776 -14.271 3.041 1.00 0.00 H new ATOM 0 HA ASP A 16 -0.906 -13.721 5.424 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -0.576 -15.993 6.116 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.344 -15.970 4.541 1.00 0.00 H new ATOM 257 N ASP A 17 1.989 -12.982 5.008 1.00 0.00 N ATOM 258 CA ASP A 17 3.264 -12.516 5.538 1.00 0.00 C ATOM 259 C ASP A 17 3.425 -10.998 5.392 1.00 0.00 C ATOM 260 O ASP A 17 4.464 -10.470 5.783 1.00 0.00 O ATOM 261 CB ASP A 17 4.417 -13.223 4.817 1.00 0.00 C ATOM 262 CG ASP A 17 4.395 -14.730 5.041 1.00 0.00 C ATOM 263 OD1 ASP A 17 4.671 -15.149 6.186 1.00 0.00 O ATOM 264 OD2 ASP A 17 4.101 -15.454 4.061 1.00 0.00 O ATOM 0 H ASP A 17 1.753 -12.577 4.102 1.00 0.00 H new ATOM 0 HA ASP A 17 3.284 -12.755 6.601 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.358 -13.015 3.749 1.00 0.00 H new ATOM 0 HB3 ASP A 17 5.366 -12.819 5.169 1.00 0.00 H new ATOM 269 N ILE A 18 2.433 -10.278 4.853 1.00 0.00 N ATOM 270 CA ILE A 18 2.582 -8.841 4.644 1.00 0.00 C ATOM 271 C ILE A 18 1.346 -8.079 5.110 1.00 0.00 C ATOM 272 O ILE A 18 0.219 -8.571 5.036 1.00 0.00 O ATOM 273 CB ILE A 18 2.873 -8.538 3.162 1.00 0.00 C ATOM 274 CG1 ILE A 18 4.077 -9.317 2.620 1.00 0.00 C ATOM 275 CG2 ILE A 18 3.142 -7.043 2.966 1.00 0.00 C ATOM 276 CD1 ILE A 18 3.617 -10.617 1.957 1.00 0.00 C ATOM 0 H ILE A 18 1.535 -10.663 4.560 1.00 0.00 H new ATOM 0 HA ILE A 18 3.428 -8.504 5.244 1.00 0.00 H new ATOM 0 HB ILE A 18 1.986 -8.850 2.610 1.00 0.00 H new ATOM 0 HG12 ILE A 18 4.619 -8.705 1.899 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.769 -9.541 3.432 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.346 -6.845 1.914 1.00 0.00 H new ATOM 0 HG22 ILE A 18 2.268 -6.472 3.280 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.003 -6.747 3.565 1.00 0.00 H new ATOM 0 HD11 ILE A 18 4.484 -11.158 1.577 1.00 0.00 H new ATOM 0 HD12 ILE A 18 3.096 -11.234 2.689 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.943 -10.386 1.132 1.00 0.00 H new ATOM 288 N THR A 19 1.576 -6.855 5.592 1.00 0.00 N ATOM 289 CA THR A 19 0.541 -5.924 6.011 1.00 0.00 C ATOM 290 C THR A 19 0.959 -4.522 5.573 1.00 0.00 C ATOM 291 O THR A 19 2.144 -4.262 5.375 1.00 0.00 O ATOM 292 CB THR A 19 0.354 -6.019 7.531 1.00 0.00 C ATOM 293 OG1 THR A 19 -0.031 -7.331 7.882 1.00 0.00 O ATOM 294 CG2 THR A 19 -0.721 -5.064 8.045 1.00 0.00 C ATOM 0 H THR A 19 2.518 -6.479 5.702 1.00 0.00 H new ATOM 0 HA THR A 19 -0.417 -6.163 5.550 1.00 0.00 H new ATOM 0 HB THR A 19 1.308 -5.749 7.983 1.00 0.00 H new ATOM 0 HG1 THR A 19 -0.148 -7.389 8.853 1.00 0.00 H new ATOM 0 HG21 THR A 19 -0.815 -5.170 9.126 1.00 0.00 H new ATOM 0 HG22 THR A 19 -0.442 -4.038 7.804 1.00 0.00 H new ATOM 0 HG23 THR A 19 -1.674 -5.301 7.573 1.00 0.00 H new ATOM 302 N ILE A 20 -0.014 -3.620 5.423 1.00 0.00 N ATOM 303 CA ILE A 20 0.209 -2.264 4.948 1.00 0.00 C ATOM 304 C ILE A 20 -0.582 -1.309 5.837 1.00 0.00 C ATOM 305 O ILE A 20 -1.644 -1.676 6.343 1.00 0.00 O ATOM 306 CB ILE A 20 -0.269 -2.153 3.488 1.00 0.00 C ATOM 307 CG1 ILE A 20 0.455 -3.135 2.556 1.00 0.00 C ATOM 308 CG2 ILE A 20 -0.114 -0.725 2.960 1.00 0.00 C ATOM 309 CD1 ILE A 20 1.934 -2.807 2.375 1.00 0.00 C ATOM 0 H ILE A 20 -0.992 -3.820 5.633 1.00 0.00 H new ATOM 0 HA ILE A 20 1.268 -2.011 4.990 1.00 0.00 H new ATOM 0 HB ILE A 20 -1.326 -2.418 3.493 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.359 -4.144 2.956 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -0.034 -3.130 1.582 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -0.460 -0.679 1.927 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -0.707 -0.045 3.572 1.00 0.00 H new ATOM 0 HG23 ILE A 20 0.935 -0.432 3.005 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.389 -3.537 1.706 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.036 -1.810 1.947 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.435 -2.840 3.343 1.00 0.00 H new ATOM 321 N THR A 21 -0.074 -0.092 6.032 1.00 0.00 N ATOM 322 CA THR A 21 -0.715 0.877 6.913 1.00 0.00 C ATOM 323 C THR A 21 -0.543 2.288 6.366 1.00 0.00 C ATOM 324 O THR A 21 0.553 2.673 5.969 1.00 0.00 O ATOM 325 CB THR A 21 -0.090 0.786 8.309 1.00 0.00 C ATOM 326 OG1 THR A 21 -0.079 -0.552 8.757 1.00 0.00 O ATOM 327 CG2 THR A 21 -0.889 1.614 9.311 1.00 0.00 C ATOM 0 H THR A 21 0.781 0.244 5.590 1.00 0.00 H new ATOM 0 HA THR A 21 -1.780 0.652 6.971 1.00 0.00 H new ATOM 0 HB THR A 21 0.929 1.168 8.239 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.324 -0.595 9.649 1.00 0.00 H new ATOM 0 HG21 THR A 21 -0.429 1.536 10.296 1.00 0.00 H new ATOM 0 HG22 THR A 21 -0.898 2.657 8.996 1.00 0.00 H new ATOM 0 HG23 THR A 21 -1.912 1.241 9.358 1.00 0.00 H new ATOM 335 N ILE A 22 -1.635 3.059 6.347 1.00 0.00 N ATOM 336 CA ILE A 22 -1.637 4.438 5.880 1.00 0.00 C ATOM 337 C ILE A 22 -1.404 5.350 7.086 1.00 0.00 C ATOM 338 O ILE A 22 -2.345 5.739 7.778 1.00 0.00 O ATOM 339 CB ILE A 22 -2.949 4.716 5.119 1.00 0.00 C ATOM 340 CG1 ILE A 22 -3.182 6.192 4.804 1.00 0.00 C ATOM 341 CG2 ILE A 22 -4.184 4.218 5.867 1.00 0.00 C ATOM 342 CD1 ILE A 22 -1.983 6.828 4.112 1.00 0.00 C ATOM 0 H ILE A 22 -2.550 2.734 6.660 1.00 0.00 H new ATOM 0 HA ILE A 22 -0.833 4.635 5.170 1.00 0.00 H new ATOM 0 HB ILE A 22 -2.817 4.165 4.188 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -4.062 6.292 4.168 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -3.394 6.730 5.728 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -5.077 4.441 5.284 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -4.109 3.141 6.018 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -4.249 4.716 6.834 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -2.195 7.877 3.908 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -1.108 6.754 4.758 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -1.786 6.309 3.174 1.00 0.00 H new ATOM 354 N LEU A 23 -0.138 5.693 7.354 1.00 0.00 N ATOM 355 CA LEU A 23 0.211 6.415 8.572 1.00 0.00 C ATOM 356 C LEU A 23 -0.335 7.842 8.535 1.00 0.00 C ATOM 357 O LEU A 23 -0.591 8.435 9.582 1.00 0.00 O ATOM 358 CB LEU A 23 1.728 6.438 8.808 1.00 0.00 C ATOM 359 CG LEU A 23 2.507 5.278 8.174 1.00 0.00 C ATOM 360 CD1 LEU A 23 3.996 5.541 8.374 1.00 0.00 C ATOM 361 CD2 LEU A 23 2.158 3.931 8.798 1.00 0.00 C ATOM 0 H LEU A 23 0.653 5.482 6.745 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.250 5.881 9.403 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.125 7.376 8.420 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.912 6.434 9.882 1.00 0.00 H new ATOM 0 HG LEU A 23 2.242 5.228 7.118 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.572 4.728 7.931 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.267 6.481 7.894 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.215 5.601 9.440 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.737 3.145 8.313 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.393 3.951 9.862 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.094 3.733 8.665 1.00 0.00 H new ATOM 373 N GLY A 24 -0.517 8.397 7.330 1.00 0.00 N ATOM 374 CA GLY A 24 -1.103 9.720 7.158 1.00 0.00 C ATOM 375 C GLY A 24 -0.749 10.334 5.807 1.00 0.00 C ATOM 376 O GLY A 24 -0.193 9.660 4.945 1.00 0.00 O ATOM 0 H GLY A 24 -0.262 7.939 6.455 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.187 9.651 7.251 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.756 10.376 7.956 1.00 0.00 H new ATOM 380 N VAL A 25 -1.075 11.619 5.625 1.00 0.00 N ATOM 381 CA VAL A 25 -0.739 12.360 4.412 1.00 0.00 C ATOM 382 C VAL A 25 -0.077 13.687 4.785 1.00 0.00 C ATOM 383 O VAL A 25 -0.067 14.074 5.952 1.00 0.00 O ATOM 384 CB VAL A 25 -1.972 12.565 3.515 1.00 0.00 C ATOM 385 CG1 VAL A 25 -2.757 11.264 3.348 1.00 0.00 C ATOM 386 CG2 VAL A 25 -2.912 13.643 4.049 1.00 0.00 C ATOM 0 H VAL A 25 -1.580 12.172 6.318 1.00 0.00 H new ATOM 0 HA VAL A 25 -0.029 11.774 3.829 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.587 12.891 2.549 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -3.622 11.441 2.709 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.117 10.509 2.891 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.092 10.913 4.324 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.765 13.747 3.378 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.263 13.360 5.041 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -2.380 14.592 4.109 1.00 0.00 H new ATOM 396 N SER A 26 0.475 14.384 3.791 1.00 0.00 N ATOM 397 CA SER A 26 1.173 15.650 3.997 1.00 0.00 C ATOM 398 C SER A 26 0.858 16.583 2.827 1.00 0.00 C ATOM 399 O SER A 26 1.747 17.217 2.267 1.00 0.00 O ATOM 400 CB SER A 26 2.678 15.398 4.103 1.00 0.00 C ATOM 401 OG SER A 26 3.285 16.389 4.906 1.00 0.00 O ATOM 0 H SER A 26 0.449 14.083 2.817 1.00 0.00 H new ATOM 0 HA SER A 26 0.841 16.117 4.924 1.00 0.00 H new ATOM 0 HB2 SER A 26 2.859 14.412 4.531 1.00 0.00 H new ATOM 0 HB3 SER A 26 3.125 15.401 3.109 1.00 0.00 H new ATOM 0 HG SER A 26 4.248 16.216 4.967 1.00 0.00 H new ATOM 407 N GLY A 27 -0.423 16.648 2.471 1.00 0.00 N ATOM 408 CA GLY A 27 -0.880 17.325 1.275 1.00 0.00 C ATOM 409 C GLY A 27 -1.302 16.266 0.260 1.00 0.00 C ATOM 410 O GLY A 27 -1.848 15.231 0.649 1.00 0.00 O ATOM 0 H GLY A 27 -1.175 16.226 3.015 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.717 17.984 1.507 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -0.087 17.950 0.865 1.00 0.00 H new ATOM 414 N GLN A 28 -1.053 16.500 -1.031 1.00 0.00 N ATOM 415 CA GLN A 28 -1.357 15.504 -2.050 1.00 0.00 C ATOM 416 C GLN A 28 -0.329 14.373 -2.060 1.00 0.00 C ATOM 417 O GLN A 28 -0.417 13.455 -2.879 1.00 0.00 O ATOM 418 CB GLN A 28 -1.512 16.171 -3.419 1.00 0.00 C ATOM 419 CG GLN A 28 -2.929 15.916 -3.934 1.00 0.00 C ATOM 420 CD GLN A 28 -3.973 16.574 -3.033 1.00 0.00 C ATOM 421 OE1 GLN A 28 -4.537 15.815 -2.093 1.00 0.00 O flip ATOM 422 NE2 GLN A 28 -4.266 17.754 -3.182 1.00 0.00 N flip ATOM 0 H GLN A 28 -0.645 17.364 -1.389 1.00 0.00 H new ATOM 0 HA GLN A 28 -2.312 15.040 -1.803 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -1.326 17.242 -3.340 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -0.778 15.771 -4.119 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -3.025 16.303 -4.948 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -3.113 14.843 -3.984 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -3.813 18.304 -3.912 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -4.963 18.187 -2.576 1.00 0.00 H new ATOM 431 N GLN A 29 0.652 14.429 -1.152 1.00 0.00 N ATOM 432 CA GLN A 29 1.534 13.309 -0.894 1.00 0.00 C ATOM 433 C GLN A 29 0.997 12.500 0.278 1.00 0.00 C ATOM 434 O GLN A 29 0.239 13.012 1.102 1.00 0.00 O ATOM 435 CB GLN A 29 2.973 13.771 -0.653 1.00 0.00 C ATOM 436 CG GLN A 29 3.147 14.621 0.600 1.00 0.00 C ATOM 437 CD GLN A 29 4.612 15.022 0.743 1.00 0.00 C ATOM 438 OE1 GLN A 29 5.176 15.663 -0.139 1.00 0.00 O ATOM 439 NE2 GLN A 29 5.242 14.653 1.857 1.00 0.00 N ATOM 0 H GLN A 29 0.848 15.253 -0.583 1.00 0.00 H new ATOM 0 HA GLN A 29 1.559 12.669 -1.776 1.00 0.00 H new ATOM 0 HB2 GLN A 29 3.618 12.895 -0.578 1.00 0.00 H new ATOM 0 HB3 GLN A 29 3.310 14.343 -1.518 1.00 0.00 H new ATOM 0 HG2 GLN A 29 2.520 15.510 0.539 1.00 0.00 H new ATOM 0 HG3 GLN A 29 2.824 14.063 1.479 1.00 0.00 H new ATOM 0 HE21 GLN A 29 4.745 14.121 2.571 1.00 0.00 H new ATOM 0 HE22 GLN A 29 6.221 14.903 1.996 1.00 0.00 H new ATOM 448 N VAL A 30 1.395 11.231 0.349 1.00 0.00 N ATOM 449 CA VAL A 30 0.855 10.254 1.279 1.00 0.00 C ATOM 450 C VAL A 30 2.020 9.498 1.904 1.00 0.00 C ATOM 451 O VAL A 30 3.053 9.323 1.262 1.00 0.00 O ATOM 452 CB VAL A 30 -0.064 9.308 0.498 1.00 0.00 C ATOM 453 CG1 VAL A 30 -0.661 8.242 1.410 1.00 0.00 C ATOM 454 CG2 VAL A 30 -1.215 10.070 -0.159 1.00 0.00 C ATOM 0 H VAL A 30 2.121 10.849 -0.257 1.00 0.00 H new ATOM 0 HA VAL A 30 0.278 10.728 2.073 1.00 0.00 H new ATOM 0 HB VAL A 30 0.552 8.837 -0.268 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.308 7.586 0.828 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.141 7.656 1.858 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.243 8.721 2.197 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.849 9.372 -0.705 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.805 10.571 0.609 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.813 10.812 -0.849 1.00 0.00 H new ATOM 464 N ARG A 31 1.862 9.049 3.152 1.00 0.00 N ATOM 465 CA ARG A 31 2.903 8.326 3.861 1.00 0.00 C ATOM 466 C ARG A 31 2.342 7.006 4.364 1.00 0.00 C ATOM 467 O ARG A 31 1.360 6.968 5.102 1.00 0.00 O ATOM 468 CB ARG A 31 3.448 9.190 4.993 1.00 0.00 C ATOM 469 CG ARG A 31 4.701 8.551 5.593 1.00 0.00 C ATOM 470 CD ARG A 31 5.390 9.545 6.528 1.00 0.00 C ATOM 471 NE ARG A 31 5.892 10.698 5.775 1.00 0.00 N ATOM 472 CZ ARG A 31 5.778 11.972 6.161 1.00 0.00 C ATOM 473 NH1 ARG A 31 5.195 12.294 7.314 1.00 0.00 N ATOM 474 NH2 ARG A 31 6.252 12.943 5.384 1.00 0.00 N ATOM 0 H ARG A 31 1.007 9.180 3.693 1.00 0.00 H new ATOM 0 HA ARG A 31 3.735 8.102 3.193 1.00 0.00 H new ATOM 0 HB2 ARG A 31 3.684 10.186 4.618 1.00 0.00 H new ATOM 0 HB3 ARG A 31 2.688 9.311 5.765 1.00 0.00 H new ATOM 0 HG2 ARG A 31 4.433 7.647 6.141 1.00 0.00 H new ATOM 0 HG3 ARG A 31 5.384 8.251 4.798 1.00 0.00 H new ATOM 0 HD2 ARG A 31 4.689 9.880 7.292 1.00 0.00 H new ATOM 0 HD3 ARG A 31 6.215 9.055 7.045 1.00 0.00 H new ATOM 0 HE ARG A 31 6.364 10.514 4.890 1.00 0.00 H new ATOM 0 HH11 ARG A 31 4.826 11.562 7.921 1.00 0.00 H new ATOM 0 HH12 ARG A 31 5.118 13.273 7.591 1.00 0.00 H new ATOM 0 HH21 ARG A 31 6.700 12.713 4.497 1.00 0.00 H new ATOM 0 HH22 ARG A 31 6.167 13.917 5.675 1.00 0.00 H new ATOM 488 N ILE A 32 2.992 5.925 3.946 1.00 0.00 N ATOM 489 CA ILE A 32 2.494 4.576 4.112 1.00 0.00 C ATOM 490 C ILE A 32 3.625 3.686 4.599 1.00 0.00 C ATOM 491 O ILE A 32 4.776 3.857 4.199 1.00 0.00 O ATOM 492 CB ILE A 32 1.962 4.096 2.754 1.00 0.00 C ATOM 493 CG1 ILE A 32 0.702 4.884 2.369 1.00 0.00 C ATOM 494 CG2 ILE A 32 1.633 2.600 2.759 1.00 0.00 C ATOM 495 CD1 ILE A 32 0.494 4.888 0.858 1.00 0.00 C ATOM 0 H ILE A 32 3.895 5.969 3.475 1.00 0.00 H new ATOM 0 HA ILE A 32 1.690 4.540 4.847 1.00 0.00 H new ATOM 0 HB ILE A 32 2.752 4.269 2.024 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.168 4.445 2.857 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.787 5.909 2.730 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.260 2.306 1.778 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.533 2.030 2.991 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.871 2.397 3.512 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.406 5.454 0.616 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.354 5.350 0.374 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.385 3.863 0.503 1.00 0.00 H new ATOM 507 N GLY A 33 3.282 2.736 5.467 1.00 0.00 N ATOM 508 CA GLY A 33 4.237 1.794 6.010 1.00 0.00 C ATOM 509 C GLY A 33 3.938 0.404 5.485 1.00 0.00 C ATOM 510 O GLY A 33 2.842 0.127 4.997 1.00 0.00 O ATOM 0 H GLY A 33 2.330 2.604 5.809 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.250 2.088 5.733 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.190 1.800 7.099 1.00 0.00 H new ATOM 514 N ILE A 34 4.937 -0.466 5.596 1.00 0.00 N ATOM 515 CA ILE A 34 4.881 -1.825 5.097 1.00 0.00 C ATOM 516 C ILE A 34 5.428 -2.705 6.203 1.00 0.00 C ATOM 517 O ILE A 34 6.319 -2.299 6.948 1.00 0.00 O ATOM 518 CB ILE A 34 5.706 -1.930 3.808 1.00 0.00 C ATOM 519 CG1 ILE A 34 5.210 -0.904 2.783 1.00 0.00 C ATOM 520 CG2 ILE A 34 5.610 -3.341 3.219 1.00 0.00 C ATOM 521 CD1 ILE A 34 6.119 -0.833 1.553 1.00 0.00 C ATOM 0 H ILE A 34 5.823 -0.236 6.045 1.00 0.00 H new ATOM 0 HA ILE A 34 3.868 -2.137 4.844 1.00 0.00 H new ATOM 0 HB ILE A 34 6.749 -1.723 4.048 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.198 -1.164 2.471 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.157 0.079 3.251 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.202 -3.395 2.305 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.991 -4.063 3.941 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.569 -3.570 2.991 1.00 0.00 H new ATOM 0 HD11 ILE A 34 5.729 -0.093 0.854 1.00 0.00 H new ATOM 0 HD12 ILE A 34 7.125 -0.547 1.860 1.00 0.00 H new ATOM 0 HD13 ILE A 34 6.152 -1.809 1.068 1.00 0.00 H new ATOM 533 N ASN A 35 4.892 -3.914 6.310 1.00 0.00 N ATOM 534 CA ASN A 35 5.203 -4.801 7.413 1.00 0.00 C ATOM 535 C ASN A 35 5.331 -6.216 6.876 1.00 0.00 C ATOM 536 O ASN A 35 4.347 -6.952 6.789 1.00 0.00 O ATOM 537 CB ASN A 35 4.111 -4.679 8.474 1.00 0.00 C ATOM 538 CG ASN A 35 4.392 -5.547 9.695 1.00 0.00 C ATOM 539 OD1 ASN A 35 5.515 -6.001 9.903 1.00 0.00 O ATOM 540 ND2 ASN A 35 3.371 -5.782 10.514 1.00 0.00 N ATOM 0 H ASN A 35 4.233 -4.302 5.635 1.00 0.00 H new ATOM 0 HA ASN A 35 6.149 -4.533 7.883 1.00 0.00 H new ATOM 0 HB2 ASN A 35 4.023 -3.638 8.784 1.00 0.00 H new ATOM 0 HB3 ASN A 35 3.153 -4.965 8.040 1.00 0.00 H new ATOM 0 HD21 ASN A 35 3.507 -6.356 11.346 1.00 0.00 H new ATOM 0 HD22 ASN A 35 2.452 -5.389 10.310 1.00 0.00 H new ATOM 547 N ALA A 36 6.558 -6.582 6.525 1.00 0.00 N ATOM 548 CA ALA A 36 6.865 -7.870 5.939 1.00 0.00 C ATOM 549 C ALA A 36 8.167 -8.415 6.512 1.00 0.00 C ATOM 550 O ALA A 36 9.002 -7.651 7.003 1.00 0.00 O ATOM 551 CB ALA A 36 7.007 -7.691 4.429 1.00 0.00 C ATOM 0 H ALA A 36 7.374 -5.981 6.643 1.00 0.00 H new ATOM 0 HA ALA A 36 6.065 -8.575 6.165 1.00 0.00 H new ATOM 0 HB1 ALA A 36 7.239 -8.652 3.969 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.073 -7.308 4.019 1.00 0.00 H new ATOM 0 HB3 ALA A 36 7.811 -6.985 4.220 1.00 0.00 H new ATOM 557 N PRO A 37 8.353 -9.737 6.457 1.00 0.00 N ATOM 558 CA PRO A 37 9.587 -10.383 6.847 1.00 0.00 C ATOM 559 C PRO A 37 10.713 -9.999 5.894 1.00 0.00 C ATOM 560 O PRO A 37 10.465 -9.606 4.755 1.00 0.00 O ATOM 561 CB PRO A 37 9.300 -11.881 6.745 1.00 0.00 C ATOM 562 CG PRO A 37 8.145 -11.990 5.758 1.00 0.00 C ATOM 563 CD PRO A 37 7.368 -10.706 6.009 1.00 0.00 C ATOM 0 HA PRO A 37 9.902 -10.090 7.849 1.00 0.00 H new ATOM 0 HB2 PRO A 37 10.174 -12.428 6.393 1.00 0.00 H new ATOM 0 HB3 PRO A 37 9.032 -12.299 7.715 1.00 0.00 H new ATOM 0 HG2 PRO A 37 8.497 -12.056 4.728 1.00 0.00 H new ATOM 0 HG3 PRO A 37 7.536 -12.875 5.944 1.00 0.00 H new ATOM 0 HD2 PRO A 37 6.868 -10.366 5.102 1.00 0.00 H new ATOM 0 HD3 PRO A 37 6.595 -10.856 6.762 1.00 0.00 H new ATOM 571 N LYS A 38 11.961 -10.113 6.356 1.00 0.00 N ATOM 572 CA LYS A 38 13.129 -9.899 5.507 1.00 0.00 C ATOM 573 C LYS A 38 13.239 -11.027 4.479 1.00 0.00 C ATOM 574 O LYS A 38 14.137 -11.020 3.638 1.00 0.00 O ATOM 575 CB LYS A 38 14.386 -9.802 6.374 1.00 0.00 C ATOM 576 CG LYS A 38 14.232 -8.722 7.451 1.00 0.00 C ATOM 577 CD LYS A 38 14.073 -7.323 6.864 1.00 0.00 C ATOM 578 CE LYS A 38 15.406 -6.754 6.365 1.00 0.00 C ATOM 579 NZ LYS A 38 16.314 -6.472 7.493 1.00 0.00 N ATOM 0 H LYS A 38 12.186 -10.354 7.321 1.00 0.00 H new ATOM 0 HA LYS A 38 13.022 -8.961 4.962 1.00 0.00 H new ATOM 0 HB2 LYS A 38 14.581 -10.765 6.846 1.00 0.00 H new ATOM 0 HB3 LYS A 38 15.248 -9.574 5.746 1.00 0.00 H new ATOM 0 HG2 LYS A 38 13.365 -8.953 8.069 1.00 0.00 H new ATOM 0 HG3 LYS A 38 15.104 -8.740 8.105 1.00 0.00 H new ATOM 0 HD2 LYS A 38 13.361 -7.355 6.039 1.00 0.00 H new ATOM 0 HD3 LYS A 38 13.655 -6.658 7.620 1.00 0.00 H new ATOM 0 HE2 LYS A 38 15.876 -7.463 5.683 1.00 0.00 H new ATOM 0 HE3 LYS A 38 15.227 -5.839 5.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 17.064 -5.823 7.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 15.778 -6.034 8.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 16.741 -7.360 7.825 1.00 0.00 H new ATOM 593 N ASP A 39 12.317 -11.987 4.556 1.00 0.00 N ATOM 594 CA ASP A 39 12.160 -13.074 3.602 1.00 0.00 C ATOM 595 C ASP A 39 11.641 -12.551 2.263 1.00 0.00 C ATOM 596 O ASP A 39 11.606 -13.295 1.283 1.00 0.00 O ATOM 597 CB ASP A 39 11.175 -14.098 4.174 1.00 0.00 C ATOM 598 CG ASP A 39 11.809 -14.913 5.299 1.00 0.00 C ATOM 599 OD1 ASP A 39 11.748 -14.446 6.458 1.00 0.00 O ATOM 600 OD2 ASP A 39 12.351 -15.997 4.991 1.00 0.00 O ATOM 0 H ASP A 39 11.636 -12.026 5.314 1.00 0.00 H new ATOM 0 HA ASP A 39 13.130 -13.541 3.432 1.00 0.00 H new ATOM 0 HB2 ASP A 39 10.290 -13.584 4.549 1.00 0.00 H new ATOM 0 HB3 ASP A 39 10.842 -14.767 3.381 1.00 0.00 H new ATOM 605 N VAL A 40 11.235 -11.279 2.213 1.00 0.00 N ATOM 606 CA VAL A 40 10.723 -10.642 1.004 1.00 0.00 C ATOM 607 C VAL A 40 11.282 -9.229 0.912 1.00 0.00 C ATOM 608 O VAL A 40 11.749 -8.677 1.910 1.00 0.00 O ATOM 609 CB VAL A 40 9.189 -10.630 0.991 1.00 0.00 C ATOM 610 CG1 VAL A 40 8.631 -12.035 1.205 1.00 0.00 C ATOM 611 CG2 VAL A 40 8.626 -9.718 2.081 1.00 0.00 C ATOM 0 H VAL A 40 11.254 -10.658 3.022 1.00 0.00 H new ATOM 0 HA VAL A 40 11.046 -11.214 0.134 1.00 0.00 H new ATOM 0 HB VAL A 40 8.887 -10.254 0.013 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.542 -12.000 1.192 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.983 -12.691 0.409 1.00 0.00 H new ATOM 0 HG13 VAL A 40 8.970 -12.418 2.167 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.537 -9.734 2.042 1.00 0.00 H new ATOM 0 HG22 VAL A 40 8.959 -10.069 3.057 1.00 0.00 H new ATOM 0 HG23 VAL A 40 8.980 -8.699 1.922 1.00 0.00 H new ATOM 621 N ALA A 41 11.230 -8.636 -0.281 1.00 0.00 N ATOM 622 CA ALA A 41 11.812 -7.327 -0.512 1.00 0.00 C ATOM 623 C ALA A 41 10.733 -6.293 -0.807 1.00 0.00 C ATOM 624 O ALA A 41 9.689 -6.625 -1.369 1.00 0.00 O ATOM 625 CB ALA A 41 12.787 -7.432 -1.685 1.00 0.00 C ATOM 0 H ALA A 41 10.787 -9.049 -1.102 1.00 0.00 H new ATOM 0 HA ALA A 41 12.339 -7.001 0.384 1.00 0.00 H new ATOM 0 HB1 ALA A 41 13.235 -6.457 -1.874 1.00 0.00 H new ATOM 0 HB2 ALA A 41 13.570 -8.151 -1.444 1.00 0.00 H new ATOM 0 HB3 ALA A 41 12.252 -7.764 -2.575 1.00 0.00 H new ATOM 631 N VAL A 42 10.984 -5.036 -0.427 1.00 0.00 N ATOM 632 CA VAL A 42 10.059 -3.938 -0.677 1.00 0.00 C ATOM 633 C VAL A 42 10.859 -2.668 -0.961 1.00 0.00 C ATOM 634 O VAL A 42 11.728 -2.291 -0.177 1.00 0.00 O ATOM 635 CB VAL A 42 9.118 -3.733 0.524 1.00 0.00 C ATOM 636 CG1 VAL A 42 8.257 -4.978 0.753 1.00 0.00 C ATOM 637 CG2 VAL A 42 9.855 -3.453 1.833 1.00 0.00 C ATOM 0 H VAL A 42 11.835 -4.757 0.062 1.00 0.00 H new ATOM 0 HA VAL A 42 9.441 -4.177 -1.542 1.00 0.00 H new ATOM 0 HB VAL A 42 8.513 -2.864 0.266 1.00 0.00 H new ATOM 0 HG11 VAL A 42 7.599 -4.813 1.606 1.00 0.00 H new ATOM 0 HG12 VAL A 42 7.657 -5.174 -0.136 1.00 0.00 H new ATOM 0 HG13 VAL A 42 8.901 -5.834 0.952 1.00 0.00 H new ATOM 0 HG21 VAL A 42 9.131 -3.319 2.637 1.00 0.00 H new ATOM 0 HG22 VAL A 42 10.508 -4.293 2.070 1.00 0.00 H new ATOM 0 HG23 VAL A 42 10.452 -2.547 1.728 1.00 0.00 H new ATOM 647 N HIS A 43 10.576 -1.999 -2.084 1.00 0.00 N ATOM 648 CA HIS A 43 11.270 -0.765 -2.425 1.00 0.00 C ATOM 649 C HIS A 43 10.429 0.094 -3.357 1.00 0.00 C ATOM 650 O HIS A 43 9.490 -0.394 -3.985 1.00 0.00 O ATOM 651 CB HIS A 43 12.601 -1.049 -3.143 1.00 0.00 C ATOM 652 CG HIS A 43 13.428 -2.178 -2.590 1.00 0.00 C ATOM 653 ND1 HIS A 43 14.513 -2.027 -1.726 1.00 0.00 N ATOM 654 CD2 HIS A 43 13.243 -3.505 -2.854 1.00 0.00 C ATOM 655 CE1 HIS A 43 14.963 -3.273 -1.493 1.00 0.00 C ATOM 656 NE2 HIS A 43 14.218 -4.176 -2.156 1.00 0.00 N ATOM 0 H HIS A 43 9.875 -2.293 -2.764 1.00 0.00 H new ATOM 0 HA HIS A 43 11.453 -0.245 -1.485 1.00 0.00 H new ATOM 0 HB2 HIS A 43 12.386 -1.263 -4.190 1.00 0.00 H new ATOM 0 HB3 HIS A 43 13.203 -0.141 -3.120 1.00 0.00 H new ATOM 0 HD1 HIS A 43 14.886 -1.155 -1.350 1.00 0.00 H new ATOM 0 HD2 HIS A 43 12.482 -3.940 -3.485 1.00 0.00 H new ATOM 0 HE1 HIS A 43 15.805 -3.515 -0.862 1.00 0.00 H new ATOM 664 N ARG A 44 10.775 1.380 -3.445 1.00 0.00 N ATOM 665 CA ARG A 44 10.195 2.269 -4.440 1.00 0.00 C ATOM 666 C ARG A 44 10.748 1.878 -5.808 1.00 0.00 C ATOM 667 O ARG A 44 11.813 1.271 -5.894 1.00 0.00 O ATOM 668 CB ARG A 44 10.516 3.722 -4.061 1.00 0.00 C ATOM 669 CG ARG A 44 9.859 4.723 -5.015 1.00 0.00 C ATOM 670 CD ARG A 44 9.866 6.130 -4.408 1.00 0.00 C ATOM 671 NE ARG A 44 11.230 6.597 -4.133 1.00 0.00 N ATOM 672 CZ ARG A 44 12.032 7.165 -5.039 1.00 0.00 C ATOM 673 NH1 ARG A 44 11.626 7.343 -6.292 1.00 0.00 N ATOM 674 NH2 ARG A 44 13.251 7.560 -4.699 1.00 0.00 N ATOM 0 H ARG A 44 11.458 1.826 -2.833 1.00 0.00 H new ATOM 0 HA ARG A 44 9.109 2.181 -4.479 1.00 0.00 H new ATOM 0 HB2 ARG A 44 10.176 3.915 -3.043 1.00 0.00 H new ATOM 0 HB3 ARG A 44 11.596 3.869 -4.069 1.00 0.00 H new ATOM 0 HG2 ARG A 44 10.390 4.729 -5.967 1.00 0.00 H new ATOM 0 HG3 ARG A 44 8.834 4.416 -5.224 1.00 0.00 H new ATOM 0 HD2 ARG A 44 9.375 6.823 -5.091 1.00 0.00 H new ATOM 0 HD3 ARG A 44 9.288 6.130 -3.484 1.00 0.00 H new ATOM 0 HE ARG A 44 11.590 6.480 -3.186 1.00 0.00 H new ATOM 0 HH11 ARG A 44 10.692 7.045 -6.573 1.00 0.00 H new ATOM 0 HH12 ARG A 44 12.249 7.778 -6.973 1.00 0.00 H new ATOM 0 HH21 ARG A 44 13.581 7.431 -3.742 1.00 0.00 H new ATOM 0 HH22 ARG A 44 13.859 7.993 -5.394 1.00 0.00 H new ATOM 688 N GLU A 45 10.035 2.219 -6.883 1.00 0.00 N ATOM 689 CA GLU A 45 10.431 1.812 -8.228 1.00 0.00 C ATOM 690 C GLU A 45 11.861 2.235 -8.556 1.00 0.00 C ATOM 691 O GLU A 45 12.583 1.504 -9.225 1.00 0.00 O ATOM 692 CB GLU A 45 9.480 2.430 -9.253 1.00 0.00 C ATOM 693 CG GLU A 45 8.049 1.994 -8.964 1.00 0.00 C ATOM 694 CD GLU A 45 7.114 2.382 -10.105 1.00 0.00 C ATOM 695 OE1 GLU A 45 6.883 3.600 -10.278 1.00 0.00 O ATOM 696 OE2 GLU A 45 6.635 1.458 -10.796 1.00 0.00 O ATOM 0 H GLU A 45 9.181 2.776 -6.846 1.00 0.00 H new ATOM 0 HA GLU A 45 10.382 0.724 -8.269 1.00 0.00 H new ATOM 0 HB2 GLU A 45 9.552 3.517 -9.219 1.00 0.00 H new ATOM 0 HB3 GLU A 45 9.767 2.123 -10.259 1.00 0.00 H new ATOM 0 HG2 GLU A 45 8.018 0.915 -8.816 1.00 0.00 H new ATOM 0 HG3 GLU A 45 7.706 2.453 -8.037 1.00 0.00 H new ATOM 703 N GLU A 46 12.268 3.411 -8.085 1.00 0.00 N ATOM 704 CA GLU A 46 13.595 3.930 -8.387 1.00 0.00 C ATOM 705 C GLU A 46 14.699 3.046 -7.806 1.00 0.00 C ATOM 706 O GLU A 46 15.803 3.027 -8.341 1.00 0.00 O ATOM 707 CB GLU A 46 13.708 5.367 -7.875 1.00 0.00 C ATOM 708 CG GLU A 46 15.019 6.016 -8.323 1.00 0.00 C ATOM 709 CD GLU A 46 15.093 7.499 -7.957 1.00 0.00 C ATOM 710 OE1 GLU A 46 14.121 8.009 -7.353 1.00 0.00 O ATOM 711 OE2 GLU A 46 16.131 8.120 -8.289 1.00 0.00 O ATOM 0 H GLU A 46 11.699 4.019 -7.495 1.00 0.00 H new ATOM 0 HA GLU A 46 13.730 3.924 -9.469 1.00 0.00 H new ATOM 0 HB2 GLU A 46 12.866 5.953 -8.242 1.00 0.00 H new ATOM 0 HB3 GLU A 46 13.650 5.373 -6.787 1.00 0.00 H new ATOM 0 HG2 GLU A 46 15.856 5.490 -7.865 1.00 0.00 H new ATOM 0 HG3 GLU A 46 15.125 5.906 -9.402 1.00 0.00 H new ATOM 718 N ILE A 47 14.427 2.314 -6.722 1.00 0.00 N ATOM 719 CA ILE A 47 15.395 1.398 -6.127 1.00 0.00 C ATOM 720 C ILE A 47 15.224 0.023 -6.762 1.00 0.00 C ATOM 721 O ILE A 47 16.199 -0.659 -7.068 1.00 0.00 O ATOM 722 CB ILE A 47 15.146 1.291 -4.612 1.00 0.00 C ATOM 723 CG1 ILE A 47 15.645 2.501 -3.821 1.00 0.00 C ATOM 724 CG2 ILE A 47 15.870 0.072 -4.033 1.00 0.00 C ATOM 725 CD1 ILE A 47 15.015 3.815 -4.279 1.00 0.00 C ATOM 0 H ILE A 47 13.531 2.342 -6.236 1.00 0.00 H new ATOM 0 HA ILE A 47 16.405 1.769 -6.300 1.00 0.00 H new ATOM 0 HB ILE A 47 14.063 1.218 -4.512 1.00 0.00 H new ATOM 0 HG12 ILE A 47 15.429 2.351 -2.763 1.00 0.00 H new ATOM 0 HG13 ILE A 47 16.728 2.570 -3.919 1.00 0.00 H new ATOM 0 HG21 ILE A 47 15.682 0.013 -2.961 1.00 0.00 H new ATOM 0 HG22 ILE A 47 15.502 -0.833 -4.516 1.00 0.00 H new ATOM 0 HG23 ILE A 47 16.941 0.168 -4.209 1.00 0.00 H new ATOM 0 HD11 ILE A 47 15.409 4.636 -3.680 1.00 0.00 H new ATOM 0 HD12 ILE A 47 15.252 3.986 -5.329 1.00 0.00 H new ATOM 0 HD13 ILE A 47 13.933 3.762 -4.155 1.00 0.00 H new ATOM 737 N TYR A 48 13.964 -0.373 -6.953 1.00 0.00 N ATOM 738 CA TYR A 48 13.599 -1.684 -7.455 1.00 0.00 C ATOM 739 C TYR A 48 14.200 -1.962 -8.832 1.00 0.00 C ATOM 740 O TYR A 48 14.533 -3.100 -9.155 1.00 0.00 O ATOM 741 CB TYR A 48 12.078 -1.740 -7.527 1.00 0.00 C ATOM 742 CG TYR A 48 11.547 -3.045 -8.056 1.00 0.00 C ATOM 743 CD1 TYR A 48 11.411 -4.151 -7.204 1.00 0.00 C ATOM 744 CD2 TYR A 48 11.198 -3.144 -9.407 1.00 0.00 C ATOM 745 CE1 TYR A 48 10.916 -5.362 -7.704 1.00 0.00 C ATOM 746 CE2 TYR A 48 10.712 -4.351 -9.919 1.00 0.00 C ATOM 747 CZ TYR A 48 10.561 -5.465 -9.067 1.00 0.00 C ATOM 748 OH TYR A 48 10.080 -6.639 -9.563 1.00 0.00 O ATOM 0 H TYR A 48 13.161 0.224 -6.758 1.00 0.00 H new ATOM 0 HA TYR A 48 13.993 -2.447 -6.784 1.00 0.00 H new ATOM 0 HB2 TYR A 48 11.669 -1.568 -6.531 1.00 0.00 H new ATOM 0 HB3 TYR A 48 11.723 -0.929 -8.162 1.00 0.00 H new ATOM 0 HD1 TYR A 48 11.688 -4.069 -6.163 1.00 0.00 H new ATOM 0 HD2 TYR A 48 11.304 -2.287 -10.056 1.00 0.00 H new ATOM 0 HE1 TYR A 48 10.806 -6.214 -7.050 1.00 0.00 H new ATOM 0 HE2 TYR A 48 10.453 -4.430 -10.964 1.00 0.00 H new ATOM 0 HH TYR A 48 9.885 -6.535 -10.518 1.00 0.00 H new ATOM 1605 N MET C 1 8.627 -2.200 10.544 1.00 0.00 N ATOM 1606 CA MET C 1 7.949 -1.365 9.535 1.00 0.00 C ATOM 1607 C MET C 1 8.963 -0.766 8.574 1.00 0.00 C ATOM 1608 O MET C 1 10.030 -0.324 8.997 1.00 0.00 O ATOM 1609 CB MET C 1 7.154 -0.245 10.211 1.00 0.00 C ATOM 1610 CG MET C 1 6.205 0.466 9.248 1.00 0.00 C ATOM 1611 SD MET C 1 4.642 -0.401 8.968 1.00 0.00 S ATOM 1612 CE MET C 1 3.871 0.044 10.545 1.00 0.00 C ATOM 0 H1 MET C 1 8.252 -1.977 11.488 1.00 0.00 H new ATOM 0 H2 MET C 1 8.459 -3.204 10.333 1.00 0.00 H new ATOM 0 H3 MET C 1 9.649 -2.008 10.524 1.00 0.00 H new ATOM 0 HA MET C 1 7.261 -1.999 8.976 1.00 0.00 H new ATOM 0 HB2 MET C 1 6.581 -0.661 11.040 1.00 0.00 H new ATOM 0 HB3 MET C 1 7.847 0.482 10.636 1.00 0.00 H new ATOM 0 HG2 MET C 1 5.990 1.462 9.637 1.00 0.00 H new ATOM 0 HG3 MET C 1 6.710 0.599 8.291 1.00 0.00 H new ATOM 0 HE1 MET C 1 3.538 -0.860 11.055 1.00 0.00 H new ATOM 0 HE2 MET C 1 4.595 0.567 11.169 1.00 0.00 H new ATOM 0 HE3 MET C 1 3.015 0.693 10.361 1.00 0.00 H new ATOM 1624 N LEU C 2 8.631 -0.749 7.281 1.00 0.00 N ATOM 1625 CA LEU C 2 9.425 -0.100 6.250 1.00 0.00 C ATOM 1626 C LEU C 2 8.491 0.925 5.616 1.00 0.00 C ATOM 1627 O LEU C 2 7.385 0.581 5.206 1.00 0.00 O ATOM 1628 CB LEU C 2 9.944 -1.169 5.282 1.00 0.00 C ATOM 1629 CG LEU C 2 10.833 -0.640 4.151 1.00 0.00 C ATOM 1630 CD1 LEU C 2 10.000 -0.064 3.011 1.00 0.00 C ATOM 1631 CD2 LEU C 2 11.812 0.428 4.643 1.00 0.00 C ATOM 0 H LEU C 2 7.787 -1.195 6.921 1.00 0.00 H new ATOM 0 HA LEU C 2 10.315 0.412 6.617 1.00 0.00 H new ATOM 0 HB2 LEU C 2 10.506 -1.910 5.850 1.00 0.00 H new ATOM 0 HB3 LEU C 2 9.091 -1.685 4.842 1.00 0.00 H new ATOM 0 HG LEU C 2 11.402 -1.495 3.786 1.00 0.00 H new ATOM 0 HD11 LEU C 2 10.662 0.302 2.226 1.00 0.00 H new ATOM 0 HD12 LEU C 2 9.351 -0.841 2.606 1.00 0.00 H new ATOM 0 HD13 LEU C 2 9.391 0.759 3.385 1.00 0.00 H new ATOM 0 HD21 LEU C 2 12.422 0.775 3.809 1.00 0.00 H new ATOM 0 HD22 LEU C 2 11.255 1.268 5.059 1.00 0.00 H new ATOM 0 HD23 LEU C 2 12.457 0.004 5.412 1.00 0.00 H new ATOM 1643 N ILE C 3 8.930 2.181 5.535 1.00 0.00 N ATOM 1644 CA ILE C 3 8.036 3.280 5.217 1.00 0.00 C ATOM 1645 C ILE C 3 8.538 4.092 4.040 1.00 0.00 C ATOM 1646 O ILE C 3 9.741 4.189 3.806 1.00 0.00 O ATOM 1647 CB ILE C 3 7.915 4.164 6.466 1.00 0.00 C ATOM 1648 CG1 ILE C 3 7.402 3.301 7.624 1.00 0.00 C ATOM 1649 CG2 ILE C 3 6.974 5.351 6.241 1.00 0.00 C ATOM 1650 CD1 ILE C 3 7.556 3.995 8.965 1.00 0.00 C ATOM 0 H ILE C 3 9.900 2.457 5.686 1.00 0.00 H new ATOM 0 HA ILE C 3 7.063 2.882 4.930 1.00 0.00 H new ATOM 0 HB ILE C 3 8.898 4.575 6.698 1.00 0.00 H new ATOM 0 HG12 ILE C 3 6.352 3.061 7.459 1.00 0.00 H new ATOM 0 HG13 ILE C 3 7.946 2.357 7.640 1.00 0.00 H new ATOM 0 HG21 ILE C 3 6.919 5.949 7.151 1.00 0.00 H new ATOM 0 HG22 ILE C 3 7.353 5.966 5.425 1.00 0.00 H new ATOM 0 HG23 ILE C 3 5.980 4.984 5.987 1.00 0.00 H new ATOM 0 HD11 ILE C 3 7.179 3.346 9.756 1.00 0.00 H new ATOM 0 HD12 ILE C 3 8.609 4.211 9.144 1.00 0.00 H new ATOM 0 HD13 ILE C 3 6.990 4.927 8.960 1.00 0.00 H new ATOM 1662 N LEU C 4 7.590 4.679 3.311 1.00 0.00 N ATOM 1663 CA LEU C 4 7.837 5.495 2.137 1.00 0.00 C ATOM 1664 C LEU C 4 6.815 6.627 2.091 1.00 0.00 C ATOM 1665 O LEU C 4 5.744 6.528 2.691 1.00 0.00 O ATOM 1666 CB LEU C 4 7.712 4.636 0.875 1.00 0.00 C ATOM 1667 CG LEU C 4 8.774 3.537 0.789 1.00 0.00 C ATOM 1668 CD1 LEU C 4 8.511 2.695 -0.452 1.00 0.00 C ATOM 1669 CD2 LEU C 4 10.180 4.119 0.654 1.00 0.00 C ATOM 0 H LEU C 4 6.598 4.593 3.534 1.00 0.00 H new ATOM 0 HA LEU C 4 8.843 5.911 2.186 1.00 0.00 H new ATOM 0 HB2 LEU C 4 6.723 4.180 0.850 1.00 0.00 H new ATOM 0 HB3 LEU C 4 7.789 5.277 -0.003 1.00 0.00 H new ATOM 0 HG LEU C 4 8.716 2.947 1.704 1.00 0.00 H new ATOM 0 HD11 LEU C 4 9.262 1.908 -0.524 1.00 0.00 H new ATOM 0 HD12 LEU C 4 7.520 2.246 -0.384 1.00 0.00 H new ATOM 0 HD13 LEU C 4 8.562 3.327 -1.338 1.00 0.00 H new ATOM 0 HD21 LEU C 4 10.906 3.308 0.596 1.00 0.00 H new ATOM 0 HD22 LEU C 4 10.238 4.723 -0.251 1.00 0.00 H new ATOM 0 HD23 LEU C 4 10.401 4.742 1.521 1.00 0.00 H new ATOM 1681 N THR C 5 7.150 7.697 1.373 1.00 0.00 N ATOM 1682 CA THR C 5 6.260 8.831 1.192 1.00 0.00 C ATOM 1683 C THR C 5 6.196 9.120 -0.300 1.00 0.00 C ATOM 1684 O THR C 5 7.233 9.224 -0.954 1.00 0.00 O ATOM 1685 CB THR C 5 6.767 10.036 1.988 1.00 0.00 C ATOM 1686 OG1 THR C 5 6.988 9.677 3.332 1.00 0.00 O ATOM 1687 CG2 THR C 5 5.745 11.163 1.987 1.00 0.00 C ATOM 0 H THR C 5 8.049 7.798 0.901 1.00 0.00 H new ATOM 0 HA THR C 5 5.259 8.613 1.565 1.00 0.00 H new ATOM 0 HB THR C 5 7.692 10.365 1.514 1.00 0.00 H new ATOM 0 HG1 THR C 5 7.809 10.105 3.654 1.00 0.00 H new ATOM 0 HG21 THR C 5 6.132 12.006 2.560 1.00 0.00 H new ATOM 0 HG22 THR C 5 5.553 11.479 0.962 1.00 0.00 H new ATOM 0 HG23 THR C 5 4.817 10.813 2.439 1.00 0.00 H new ATOM 1695 N ARG C 6 4.983 9.248 -0.841 1.00 0.00 N ATOM 1696 CA ARG C 6 4.775 9.354 -2.279 1.00 0.00 C ATOM 1697 C ARG C 6 3.704 10.370 -2.604 1.00 0.00 C ATOM 1698 O ARG C 6 3.095 10.941 -1.709 1.00 0.00 O ATOM 1699 CB ARG C 6 4.347 7.994 -2.828 1.00 0.00 C ATOM 1700 CG ARG C 6 5.216 6.874 -2.267 1.00 0.00 C ATOM 1701 CD ARG C 6 4.835 5.566 -2.951 1.00 0.00 C ATOM 1702 NE ARG C 6 3.390 5.327 -2.930 1.00 0.00 N ATOM 1703 CZ ARG C 6 2.760 4.513 -2.075 1.00 0.00 C ATOM 1704 NH1 ARG C 6 3.415 3.913 -1.084 1.00 0.00 N ATOM 1705 NH2 ARG C 6 1.457 4.296 -2.203 1.00 0.00 N ATOM 0 H ARG C 6 4.123 9.281 -0.294 1.00 0.00 H new ATOM 0 HA ARG C 6 5.711 9.676 -2.736 1.00 0.00 H new ATOM 0 HB2 ARG C 6 3.303 7.809 -2.575 1.00 0.00 H new ATOM 0 HB3 ARG C 6 4.415 8.000 -3.916 1.00 0.00 H new ATOM 0 HG2 ARG C 6 6.270 7.094 -2.435 1.00 0.00 H new ATOM 0 HG3 ARG C 6 5.075 6.791 -1.189 1.00 0.00 H new ATOM 0 HD2 ARG C 6 5.183 5.584 -3.984 1.00 0.00 H new ATOM 0 HD3 ARG C 6 5.345 4.739 -2.457 1.00 0.00 H new ATOM 0 HE ARG C 6 2.821 5.818 -3.619 1.00 0.00 H new ATOM 0 HH11 ARG C 6 4.416 4.070 -0.966 1.00 0.00 H new ATOM 0 HH12 ARG C 6 2.916 3.296 -0.443 1.00 0.00 H new ATOM 0 HH21 ARG C 6 0.936 4.750 -2.953 1.00 0.00 H new ATOM 0 HH22 ARG C 6 0.977 3.675 -1.551 1.00 0.00 H new ATOM 1719 N LYS C 7 3.484 10.585 -3.897 1.00 0.00 N ATOM 1720 CA LYS C 7 2.489 11.521 -4.392 1.00 0.00 C ATOM 1721 C LYS C 7 1.436 10.741 -5.162 1.00 0.00 C ATOM 1722 O LYS C 7 1.738 9.679 -5.707 1.00 0.00 O ATOM 1723 CB LYS C 7 3.173 12.541 -5.299 1.00 0.00 C ATOM 1724 CG LYS C 7 3.784 13.720 -4.540 1.00 0.00 C ATOM 1725 CD LYS C 7 2.661 14.700 -4.189 1.00 0.00 C ATOM 1726 CE LYS C 7 3.178 15.982 -3.540 1.00 0.00 C ATOM 1727 NZ LYS C 7 4.036 16.760 -4.457 1.00 0.00 N ATOM 0 H LYS C 7 3.999 10.107 -4.636 1.00 0.00 H new ATOM 0 HA LYS C 7 2.012 12.052 -3.568 1.00 0.00 H new ATOM 0 HB2 LYS C 7 3.956 12.041 -5.869 1.00 0.00 H new ATOM 0 HB3 LYS C 7 2.447 12.919 -6.019 1.00 0.00 H new ATOM 0 HG2 LYS C 7 4.281 13.372 -3.634 1.00 0.00 H new ATOM 0 HG3 LYS C 7 4.541 14.213 -5.150 1.00 0.00 H new ATOM 0 HD2 LYS C 7 2.109 14.953 -5.094 1.00 0.00 H new ATOM 0 HD3 LYS C 7 1.958 14.213 -3.513 1.00 0.00 H new ATOM 0 HE2 LYS C 7 2.333 16.595 -3.226 1.00 0.00 H new ATOM 0 HE3 LYS C 7 3.742 15.731 -2.641 1.00 0.00 H new ATOM 0 HZ1 LYS C 7 4.213 17.702 -4.052 1.00 0.00 H new ATOM 0 HZ2 LYS C 7 4.941 16.265 -4.590 1.00 0.00 H new ATOM 0 HZ3 LYS C 7 3.559 16.862 -5.376 1.00 0.00 H new ATOM 1741 N VAL C 8 0.205 11.256 -5.218 1.00 0.00 N ATOM 1742 CA VAL C 8 -0.846 10.560 -5.945 1.00 0.00 C ATOM 1743 C VAL C 8 -0.418 10.306 -7.390 1.00 0.00 C ATOM 1744 O VAL C 8 -0.080 11.232 -8.123 1.00 0.00 O ATOM 1745 CB VAL C 8 -2.179 11.305 -5.850 1.00 0.00 C ATOM 1746 CG1 VAL C 8 -2.646 11.293 -4.395 1.00 0.00 C ATOM 1747 CG2 VAL C 8 -2.128 12.758 -6.313 1.00 0.00 C ATOM 0 H VAL C 8 -0.079 12.131 -4.778 1.00 0.00 H new ATOM 0 HA VAL C 8 -1.005 9.588 -5.478 1.00 0.00 H new ATOM 0 HB VAL C 8 -2.863 10.783 -6.519 1.00 0.00 H new ATOM 0 HG11 VAL C 8 -3.596 11.821 -4.313 1.00 0.00 H new ATOM 0 HG12 VAL C 8 -2.774 10.263 -4.062 1.00 0.00 H new ATOM 0 HG13 VAL C 8 -1.902 11.786 -3.770 1.00 0.00 H new ATOM 0 HG21 VAL C 8 -3.116 13.207 -6.211 1.00 0.00 H new ATOM 0 HG22 VAL C 8 -1.413 13.310 -5.702 1.00 0.00 H new ATOM 0 HG23 VAL C 8 -1.818 12.796 -7.357 1.00 0.00 H new ATOM 1757 N GLY C 9 -0.438 9.029 -7.784 1.00 0.00 N ATOM 1758 CA GLY C 9 -0.070 8.589 -9.124 1.00 0.00 C ATOM 1759 C GLY C 9 1.148 7.662 -9.124 1.00 0.00 C ATOM 1760 O GLY C 9 1.350 6.932 -10.095 1.00 0.00 O ATOM 0 H GLY C 9 -0.715 8.264 -7.168 1.00 0.00 H new ATOM 0 HA2 GLY C 9 -0.916 8.072 -9.578 1.00 0.00 H new ATOM 0 HA3 GLY C 9 0.141 9.461 -9.744 1.00 0.00 H new ATOM 1764 N GLU C 10 1.959 7.675 -8.061 1.00 0.00 N ATOM 1765 CA GLU C 10 3.144 6.830 -7.984 1.00 0.00 C ATOM 1766 C GLU C 10 2.796 5.369 -7.682 1.00 0.00 C ATOM 1767 O GLU C 10 1.642 5.034 -7.411 1.00 0.00 O ATOM 1768 CB GLU C 10 4.094 7.345 -6.900 1.00 0.00 C ATOM 1769 CG GLU C 10 4.721 8.672 -7.318 1.00 0.00 C ATOM 1770 CD GLU C 10 5.875 9.042 -6.390 1.00 0.00 C ATOM 1771 OE1 GLU C 10 6.987 8.509 -6.604 1.00 0.00 O ATOM 1772 OE2 GLU C 10 5.639 9.860 -5.471 1.00 0.00 O ATOM 0 H GLU C 10 1.811 8.265 -7.242 1.00 0.00 H new ATOM 0 HA GLU C 10 3.625 6.873 -8.961 1.00 0.00 H new ATOM 0 HB2 GLU C 10 3.550 7.473 -5.964 1.00 0.00 H new ATOM 0 HB3 GLU C 10 4.877 6.609 -6.716 1.00 0.00 H new ATOM 0 HG2 GLU C 10 5.082 8.602 -8.344 1.00 0.00 H new ATOM 0 HG3 GLU C 10 3.966 9.458 -7.299 1.00 0.00 H new ATOM 1779 N SER C 11 3.817 4.510 -7.734 1.00 0.00 N ATOM 1780 CA SER C 11 3.686 3.078 -7.495 1.00 0.00 C ATOM 1781 C SER C 11 4.880 2.568 -6.694 1.00 0.00 C ATOM 1782 O SER C 11 5.895 3.254 -6.594 1.00 0.00 O ATOM 1783 CB SER C 11 3.607 2.339 -8.831 1.00 0.00 C ATOM 1784 OG SER C 11 2.529 2.826 -9.604 1.00 0.00 O ATOM 0 H SER C 11 4.772 4.799 -7.947 1.00 0.00 H new ATOM 0 HA SER C 11 2.775 2.895 -6.926 1.00 0.00 H new ATOM 0 HB2 SER C 11 4.541 2.465 -9.379 1.00 0.00 H new ATOM 0 HB3 SER C 11 3.482 1.270 -8.655 1.00 0.00 H new ATOM 0 HG SER C 11 2.494 2.344 -10.456 1.00 0.00 H new ATOM 1790 N ILE C 12 4.750 1.365 -6.123 1.00 0.00 N ATOM 1791 CA ILE C 12 5.740 0.730 -5.253 1.00 0.00 C ATOM 1792 C ILE C 12 5.729 -0.776 -5.524 1.00 0.00 C ATOM 1793 O ILE C 12 4.757 -1.292 -6.072 1.00 0.00 O ATOM 1794 CB ILE C 12 5.388 1.037 -3.788 1.00 0.00 C ATOM 1795 CG1 ILE C 12 5.488 2.540 -3.500 1.00 0.00 C ATOM 1796 CG2 ILE C 12 6.256 0.270 -2.785 1.00 0.00 C ATOM 1797 CD1 ILE C 12 6.896 3.103 -3.703 1.00 0.00 C ATOM 0 H ILE C 12 3.921 0.788 -6.261 1.00 0.00 H new ATOM 0 HA ILE C 12 6.741 1.114 -5.451 1.00 0.00 H new ATOM 0 HB ILE C 12 4.359 0.702 -3.656 1.00 0.00 H new ATOM 0 HG12 ILE C 12 4.794 3.074 -4.149 1.00 0.00 H new ATOM 0 HG13 ILE C 12 5.174 2.728 -2.473 1.00 0.00 H new ATOM 0 HG21 ILE C 12 5.957 0.532 -1.770 1.00 0.00 H new ATOM 0 HG22 ILE C 12 6.127 -0.802 -2.937 1.00 0.00 H new ATOM 0 HG23 ILE C 12 7.303 0.534 -2.934 1.00 0.00 H new ATOM 0 HD11 ILE C 12 6.896 4.170 -3.482 1.00 0.00 H new ATOM 0 HD12 ILE C 12 7.591 2.594 -3.035 1.00 0.00 H new ATOM 0 HD13 ILE C 12 7.205 2.946 -4.736 1.00 0.00 H new ATOM 1809 N ASN C 13 6.796 -1.495 -5.156 1.00 0.00 N ATOM 1810 CA ASN C 13 6.908 -2.914 -5.454 1.00 0.00 C ATOM 1811 C ASN C 13 7.187 -3.736 -4.200 1.00 0.00 C ATOM 1812 O ASN C 13 7.793 -3.258 -3.240 1.00 0.00 O ATOM 1813 CB ASN C 13 8.015 -3.142 -6.484 1.00 0.00 C ATOM 1814 CG ASN C 13 7.540 -2.844 -7.899 1.00 0.00 C ATOM 1815 OD1 ASN C 13 7.431 -3.741 -8.730 1.00 0.00 O ATOM 1816 ND2 ASN C 13 7.251 -1.580 -8.179 1.00 0.00 N ATOM 0 H ASN C 13 7.593 -1.109 -4.650 1.00 0.00 H new ATOM 0 HA ASN C 13 5.953 -3.245 -5.861 1.00 0.00 H new ATOM 0 HB2 ASN C 13 8.869 -2.508 -6.246 1.00 0.00 H new ATOM 0 HB3 ASN C 13 8.359 -4.175 -6.426 1.00 0.00 H new ATOM 0 HD21 ASN C 13 6.926 -1.326 -9.112 1.00 0.00 H new ATOM 0 HD22 ASN C 13 7.354 -0.862 -7.462 1.00 0.00 H new ATOM 1823 N ILE C 14 6.722 -4.987 -4.252 1.00 0.00 N ATOM 1824 CA ILE C 14 6.867 -5.977 -3.195 1.00 0.00 C ATOM 1825 C ILE C 14 7.161 -7.331 -3.831 1.00 0.00 C ATOM 1826 O ILE C 14 6.482 -7.736 -4.772 1.00 0.00 O ATOM 1827 CB ILE C 14 5.574 -6.073 -2.368 1.00 0.00 C ATOM 1828 CG1 ILE C 14 5.211 -4.709 -1.761 1.00 0.00 C ATOM 1829 CG2 ILE C 14 5.733 -7.147 -1.286 1.00 0.00 C ATOM 1830 CD1 ILE C 14 3.932 -4.768 -0.925 1.00 0.00 C ATOM 0 H ILE C 14 6.217 -5.346 -5.062 1.00 0.00 H new ATOM 0 HA ILE C 14 7.682 -5.682 -2.534 1.00 0.00 H new ATOM 0 HB ILE C 14 4.752 -6.363 -3.022 1.00 0.00 H new ATOM 0 HG12 ILE C 14 6.034 -4.361 -1.137 1.00 0.00 H new ATOM 0 HG13 ILE C 14 5.086 -3.979 -2.561 1.00 0.00 H new ATOM 0 HG21 ILE C 14 4.815 -7.213 -0.701 1.00 0.00 H new ATOM 0 HG22 ILE C 14 5.934 -8.110 -1.756 1.00 0.00 H new ATOM 0 HG23 ILE C 14 6.563 -6.883 -0.630 1.00 0.00 H new ATOM 0 HD11 ILE C 14 3.718 -3.780 -0.518 1.00 0.00 H new ATOM 0 HD12 ILE C 14 3.101 -5.090 -1.553 1.00 0.00 H new ATOM 0 HD13 ILE C 14 4.064 -5.477 -0.107 1.00 0.00 H new ATOM 1842 N GLY C 15 8.174 -8.032 -3.316 1.00 0.00 N ATOM 1843 CA GLY C 15 8.568 -9.325 -3.848 1.00 0.00 C ATOM 1844 C GLY C 15 8.828 -9.225 -5.348 1.00 0.00 C ATOM 1845 O GLY C 15 9.330 -8.213 -5.831 1.00 0.00 O ATOM 0 H GLY C 15 8.736 -7.717 -2.525 1.00 0.00 H new ATOM 0 HA2 GLY C 15 9.466 -9.677 -3.339 1.00 0.00 H new ATOM 0 HA3 GLY C 15 7.785 -10.058 -3.656 1.00 0.00 H new ATOM 1849 N ASP C 16 8.479 -10.285 -6.078 1.00 0.00 N ATOM 1850 CA ASP C 16 8.617 -10.323 -7.525 1.00 0.00 C ATOM 1851 C ASP C 16 7.280 -10.649 -8.194 1.00 0.00 C ATOM 1852 O ASP C 16 7.245 -11.002 -9.372 1.00 0.00 O ATOM 1853 CB ASP C 16 9.734 -11.295 -7.921 1.00 0.00 C ATOM 1854 CG ASP C 16 9.415 -12.746 -7.550 1.00 0.00 C ATOM 1855 OD1 ASP C 16 9.345 -13.034 -6.334 1.00 0.00 O ATOM 1856 OD2 ASP C 16 9.241 -13.554 -8.489 1.00 0.00 O ATOM 0 H ASP C 16 8.093 -11.140 -5.677 1.00 0.00 H new ATOM 0 HA ASP C 16 8.906 -9.336 -7.885 1.00 0.00 H new ATOM 0 HB2 ASP C 16 9.904 -11.228 -8.996 1.00 0.00 H new ATOM 0 HB3 ASP C 16 10.661 -10.995 -7.432 1.00 0.00 H new ATOM 1861 N ASP C 17 6.180 -10.536 -7.440 1.00 0.00 N ATOM 1862 CA ASP C 17 4.848 -10.849 -7.934 1.00 0.00 C ATOM 1863 C ASP C 17 3.816 -9.783 -7.540 1.00 0.00 C ATOM 1864 O ASP C 17 2.647 -9.942 -7.888 1.00 0.00 O ATOM 1865 CB ASP C 17 4.400 -12.210 -7.404 1.00 0.00 C ATOM 1866 CG ASP C 17 5.310 -13.343 -7.868 1.00 0.00 C ATOM 1867 OD1 ASP C 17 5.248 -13.673 -9.074 1.00 0.00 O ATOM 1868 OD2 ASP C 17 6.057 -13.872 -7.015 1.00 0.00 O ATOM 0 H ASP C 17 6.196 -10.224 -6.469 1.00 0.00 H new ATOM 0 HA ASP C 17 4.906 -10.871 -9.022 1.00 0.00 H new ATOM 0 HB2 ASP C 17 4.383 -12.185 -6.314 1.00 0.00 H new ATOM 0 HB3 ASP C 17 3.380 -12.408 -7.735 1.00 0.00 H new ATOM 1873 N ILE C 18 4.200 -8.716 -6.831 1.00 0.00 N ATOM 1874 CA ILE C 18 3.222 -7.728 -6.395 1.00 0.00 C ATOM 1875 C ILE C 18 3.704 -6.302 -6.653 1.00 0.00 C ATOM 1876 O ILE C 18 4.896 -6.000 -6.594 1.00 0.00 O ATOM 1877 CB ILE C 18 2.903 -7.916 -4.903 1.00 0.00 C ATOM 1878 CG1 ILE C 18 2.463 -9.349 -4.575 1.00 0.00 C ATOM 1879 CG2 ILE C 18 1.782 -6.962 -4.478 1.00 0.00 C ATOM 1880 CD1 ILE C 18 3.653 -10.178 -4.087 1.00 0.00 C ATOM 0 H ILE C 18 5.162 -8.521 -6.554 1.00 0.00 H new ATOM 0 HA ILE C 18 2.315 -7.883 -6.980 1.00 0.00 H new ATOM 0 HB ILE C 18 3.823 -7.702 -4.359 1.00 0.00 H new ATOM 0 HG12 ILE C 18 1.687 -9.331 -3.810 1.00 0.00 H new ATOM 0 HG13 ILE C 18 2.028 -9.813 -5.460 1.00 0.00 H new ATOM 0 HG21 ILE C 18 1.565 -7.104 -3.419 1.00 0.00 H new ATOM 0 HG22 ILE C 18 2.096 -5.932 -4.649 1.00 0.00 H new ATOM 0 HG23 ILE C 18 0.886 -7.170 -5.063 1.00 0.00 H new ATOM 0 HD11 ILE C 18 3.322 -11.191 -3.859 1.00 0.00 H new ATOM 0 HD12 ILE C 18 4.416 -10.212 -4.865 1.00 0.00 H new ATOM 0 HD13 ILE C 18 4.070 -9.722 -3.189 1.00 0.00 H new ATOM 1892 N THR C 19 2.746 -5.418 -6.944 1.00 0.00 N ATOM 1893 CA THR C 19 2.977 -3.996 -7.123 1.00 0.00 C ATOM 1894 C THR C 19 1.825 -3.246 -6.456 1.00 0.00 C ATOM 1895 O THR C 19 0.726 -3.788 -6.321 1.00 0.00 O ATOM 1896 CB THR C 19 3.063 -3.673 -8.622 1.00 0.00 C ATOM 1897 OG1 THR C 19 3.992 -4.530 -9.250 1.00 0.00 O ATOM 1898 CG2 THR C 19 3.498 -2.233 -8.889 1.00 0.00 C ATOM 0 H THR C 19 1.769 -5.685 -7.063 1.00 0.00 H new ATOM 0 HA THR C 19 3.918 -3.690 -6.666 1.00 0.00 H new ATOM 0 HB THR C 19 2.060 -3.814 -9.025 1.00 0.00 H new ATOM 0 HG1 THR C 19 4.039 -4.318 -10.206 1.00 0.00 H new ATOM 0 HG21 THR C 19 3.542 -2.060 -9.964 1.00 0.00 H new ATOM 0 HG22 THR C 19 2.780 -1.547 -8.440 1.00 0.00 H new ATOM 0 HG23 THR C 19 4.483 -2.064 -8.454 1.00 0.00 H new ATOM 1906 N ILE C 20 2.074 -2.003 -6.046 1.00 0.00 N ATOM 1907 CA ILE C 20 1.117 -1.177 -5.315 1.00 0.00 C ATOM 1908 C ILE C 20 1.057 0.195 -5.976 1.00 0.00 C ATOM 1909 O ILE C 20 2.052 0.645 -6.545 1.00 0.00 O ATOM 1910 CB ILE C 20 1.567 -1.050 -3.854 1.00 0.00 C ATOM 1911 CG1 ILE C 20 1.764 -2.418 -3.184 1.00 0.00 C ATOM 1912 CG2 ILE C 20 0.579 -0.210 -3.044 1.00 0.00 C ATOM 1913 CD1 ILE C 20 0.451 -3.182 -3.012 1.00 0.00 C ATOM 0 H ILE C 20 2.964 -1.534 -6.216 1.00 0.00 H new ATOM 0 HA ILE C 20 0.127 -1.632 -5.335 1.00 0.00 H new ATOM 0 HB ILE C 20 2.533 -0.545 -3.870 1.00 0.00 H new ATOM 0 HG12 ILE C 20 2.452 -3.016 -3.782 1.00 0.00 H new ATOM 0 HG13 ILE C 20 2.229 -2.277 -2.208 1.00 0.00 H new ATOM 0 HG21 ILE C 20 0.924 -0.137 -2.012 1.00 0.00 H new ATOM 0 HG22 ILE C 20 0.511 0.789 -3.475 1.00 0.00 H new ATOM 0 HG23 ILE C 20 -0.403 -0.682 -3.066 1.00 0.00 H new ATOM 0 HD11 ILE C 20 0.648 -4.141 -2.534 1.00 0.00 H new ATOM 0 HD12 ILE C 20 -0.230 -2.600 -2.391 1.00 0.00 H new ATOM 0 HD13 ILE C 20 -0.003 -3.350 -3.989 1.00 0.00 H new ATOM 1925 N THR C 21 -0.096 0.862 -5.908 1.00 0.00 N ATOM 1926 CA THR C 21 -0.285 2.162 -6.536 1.00 0.00 C ATOM 1927 C THR C 21 -1.185 3.046 -5.680 1.00 0.00 C ATOM 1928 O THR C 21 -2.119 2.559 -5.047 1.00 0.00 O ATOM 1929 CB THR C 21 -0.925 1.969 -7.919 1.00 0.00 C ATOM 1930 OG1 THR C 21 -0.227 0.986 -8.654 1.00 0.00 O ATOM 1931 CG2 THR C 21 -0.910 3.261 -8.732 1.00 0.00 C ATOM 0 H THR C 21 -0.920 0.514 -5.417 1.00 0.00 H new ATOM 0 HA THR C 21 0.686 2.647 -6.638 1.00 0.00 H new ATOM 0 HB THR C 21 -1.956 1.660 -7.748 1.00 0.00 H new ATOM 0 HG1 THR C 21 -0.648 0.874 -9.532 1.00 0.00 H new ATOM 0 HG21 THR C 21 -1.371 3.085 -9.704 1.00 0.00 H new ATOM 0 HG22 THR C 21 -1.468 4.032 -8.200 1.00 0.00 H new ATOM 0 HG23 THR C 21 0.119 3.590 -8.873 1.00 0.00 H new ATOM 1939 N ILE C 22 -0.907 4.351 -5.663 1.00 0.00 N ATOM 1940 CA ILE C 22 -1.733 5.347 -4.985 1.00 0.00 C ATOM 1941 C ILE C 22 -2.523 6.071 -6.071 1.00 0.00 C ATOM 1942 O ILE C 22 -2.034 7.025 -6.674 1.00 0.00 O ATOM 1943 CB ILE C 22 -0.859 6.280 -4.127 1.00 0.00 C ATOM 1944 CG1 ILE C 22 -1.613 7.532 -3.668 1.00 0.00 C ATOM 1945 CG2 ILE C 22 0.419 6.721 -4.847 1.00 0.00 C ATOM 1946 CD1 ILE C 22 -2.832 7.168 -2.829 1.00 0.00 C ATOM 0 H ILE C 22 -0.090 4.749 -6.127 1.00 0.00 H new ATOM 0 HA ILE C 22 -2.432 4.894 -4.282 1.00 0.00 H new ATOM 0 HB ILE C 22 -0.589 5.683 -3.256 1.00 0.00 H new ATOM 0 HG12 ILE C 22 -0.946 8.168 -3.087 1.00 0.00 H new ATOM 0 HG13 ILE C 22 -1.927 8.109 -4.538 1.00 0.00 H new ATOM 0 HG21 ILE C 22 0.996 7.377 -4.195 1.00 0.00 H new ATOM 0 HG22 ILE C 22 1.015 5.844 -5.099 1.00 0.00 H new ATOM 0 HG23 ILE C 22 0.156 7.256 -5.760 1.00 0.00 H new ATOM 0 HD11 ILE C 22 -3.345 8.078 -2.519 1.00 0.00 H new ATOM 0 HD12 ILE C 22 -3.510 6.553 -3.420 1.00 0.00 H new ATOM 0 HD13 ILE C 22 -2.514 6.612 -1.947 1.00 0.00 H new ATOM 1958 N LEU C 23 -3.755 5.618 -6.332 1.00 0.00 N ATOM 1959 CA LEU C 23 -4.530 6.159 -7.442 1.00 0.00 C ATOM 1960 C LEU C 23 -4.963 7.590 -7.128 1.00 0.00 C ATOM 1961 O LEU C 23 -5.221 8.372 -8.041 1.00 0.00 O ATOM 1962 CB LEU C 23 -5.742 5.275 -7.777 1.00 0.00 C ATOM 1963 CG LEU C 23 -5.596 3.805 -7.376 1.00 0.00 C ATOM 1964 CD1 LEU C 23 -6.940 3.108 -7.532 1.00 0.00 C ATOM 1965 CD2 LEU C 23 -4.557 3.098 -8.234 1.00 0.00 C ATOM 0 H LEU C 23 -4.226 4.889 -5.796 1.00 0.00 H new ATOM 0 HA LEU C 23 -3.892 6.170 -8.326 1.00 0.00 H new ATOM 0 HB2 LEU C 23 -6.622 5.686 -7.282 1.00 0.00 H new ATOM 0 HB3 LEU C 23 -5.927 5.328 -8.850 1.00 0.00 H new ATOM 0 HG LEU C 23 -5.265 3.763 -6.338 1.00 0.00 H new ATOM 0 HD11 LEU C 23 -6.842 2.060 -7.248 1.00 0.00 H new ATOM 0 HD12 LEU C 23 -7.677 3.591 -6.890 1.00 0.00 H new ATOM 0 HD13 LEU C 23 -7.265 3.173 -8.570 1.00 0.00 H new ATOM 0 HD21 LEU C 23 -4.477 2.056 -7.924 1.00 0.00 H new ATOM 0 HD22 LEU C 23 -4.858 3.143 -9.281 1.00 0.00 H new ATOM 0 HD23 LEU C 23 -3.591 3.588 -8.113 1.00 0.00 H new ATOM 1977 N GLY C 24 -5.049 7.936 -5.837 1.00 0.00 N ATOM 1978 CA GLY C 24 -5.305 9.301 -5.402 1.00 0.00 C ATOM 1979 C GLY C 24 -5.916 9.337 -4.007 1.00 0.00 C ATOM 1980 O GLY C 24 -5.938 8.326 -3.308 1.00 0.00 O ATOM 0 H GLY C 24 -4.942 7.272 -5.070 1.00 0.00 H new ATOM 0 HA2 GLY C 24 -4.373 9.866 -5.407 1.00 0.00 H new ATOM 0 HA3 GLY C 24 -5.977 9.789 -6.108 1.00 0.00 H new ATOM 1984 N VAL C 25 -6.422 10.505 -3.599 1.00 0.00 N ATOM 1985 CA VAL C 25 -7.105 10.655 -2.320 1.00 0.00 C ATOM 1986 C VAL C 25 -8.465 11.316 -2.531 1.00 0.00 C ATOM 1987 O VAL C 25 -8.773 11.795 -3.623 1.00 0.00 O ATOM 1988 CB VAL C 25 -6.250 11.415 -1.289 1.00 0.00 C ATOM 1989 CG1 VAL C 25 -4.790 10.963 -1.323 1.00 0.00 C ATOM 1990 CG2 VAL C 25 -6.307 12.933 -1.470 1.00 0.00 C ATOM 0 H VAL C 25 -6.368 11.365 -4.145 1.00 0.00 H new ATOM 0 HA VAL C 25 -7.265 9.661 -1.902 1.00 0.00 H new ATOM 0 HB VAL C 25 -6.684 11.172 -0.319 1.00 0.00 H new ATOM 0 HG11 VAL C 25 -4.219 11.522 -0.582 1.00 0.00 H new ATOM 0 HG12 VAL C 25 -4.733 9.898 -1.097 1.00 0.00 H new ATOM 0 HG13 VAL C 25 -4.375 11.146 -2.314 1.00 0.00 H new ATOM 0 HG21 VAL C 25 -5.685 13.413 -0.715 1.00 0.00 H new ATOM 0 HG22 VAL C 25 -5.940 13.195 -2.462 1.00 0.00 H new ATOM 0 HG23 VAL C 25 -7.337 13.274 -1.362 1.00 0.00 H new ATOM 2000 N SER C 26 -9.276 11.337 -1.475 1.00 0.00 N ATOM 2001 CA SER C 26 -10.630 11.863 -1.504 1.00 0.00 C ATOM 2002 C SER C 26 -10.904 12.576 -0.186 1.00 0.00 C ATOM 2003 O SER C 26 -11.926 12.346 0.459 1.00 0.00 O ATOM 2004 CB SER C 26 -11.613 10.711 -1.691 1.00 0.00 C ATOM 2005 OG SER C 26 -11.608 10.272 -3.032 1.00 0.00 O ATOM 0 H SER C 26 -9.000 10.981 -0.560 1.00 0.00 H new ATOM 0 HA SER C 26 -10.747 12.565 -2.329 1.00 0.00 H new ATOM 0 HB2 SER C 26 -11.346 9.886 -1.031 1.00 0.00 H new ATOM 0 HB3 SER C 26 -12.616 11.032 -1.411 1.00 0.00 H new ATOM 0 HG SER C 26 -12.242 9.532 -3.136 1.00 0.00 H new ATOM 2011 N GLY C 27 -9.979 13.447 0.209 1.00 0.00 N ATOM 2012 CA GLY C 27 -9.987 14.044 1.525 1.00 0.00 C ATOM 2013 C GLY C 27 -8.888 13.374 2.338 1.00 0.00 C ATOM 2014 O GLY C 27 -7.827 13.055 1.799 1.00 0.00 O ATOM 0 H GLY C 27 -9.206 13.754 -0.381 1.00 0.00 H new ATOM 0 HA2 GLY C 27 -9.815 15.118 1.460 1.00 0.00 H new ATOM 0 HA3 GLY C 27 -10.957 13.905 2.003 1.00 0.00 H new ATOM 2018 N GLN C 28 -9.128 13.150 3.631 1.00 0.00 N ATOM 2019 CA GLN C 28 -8.158 12.459 4.462 1.00 0.00 C ATOM 2020 C GLN C 28 -8.251 10.944 4.264 1.00 0.00 C ATOM 2021 O GLN C 28 -7.424 10.194 4.786 1.00 0.00 O ATOM 2022 CB GLN C 28 -8.348 12.906 5.916 1.00 0.00 C ATOM 2023 CG GLN C 28 -6.996 13.084 6.613 1.00 0.00 C ATOM 2024 CD GLN C 28 -6.114 14.177 5.993 1.00 0.00 C ATOM 2025 OE1 GLN C 28 -6.585 14.879 4.961 1.00 0.00 O flip ATOM 2026 NE2 GLN C 28 -4.995 14.394 6.451 1.00 0.00 N flip ATOM 0 H GLN C 28 -9.979 13.436 4.116 1.00 0.00 H new ATOM 0 HA GLN C 28 -7.142 12.724 4.168 1.00 0.00 H new ATOM 0 HB2 GLN C 28 -8.902 13.844 5.943 1.00 0.00 H new ATOM 0 HB3 GLN C 28 -8.944 12.168 6.453 1.00 0.00 H new ATOM 0 HG2 GLN C 28 -7.168 13.322 7.663 1.00 0.00 H new ATOM 0 HG3 GLN C 28 -6.457 12.137 6.585 1.00 0.00 H new ATOM 0 HE21 GLN C 28 -4.652 13.847 7.241 1.00 0.00 H new ATOM 0 HE22 GLN C 28 -4.409 15.121 6.042 1.00 0.00 H new ATOM 2035 N GLN C 29 -9.255 10.493 3.502 1.00 0.00 N ATOM 2036 CA GLN C 29 -9.314 9.118 3.031 1.00 0.00 C ATOM 2037 C GLN C 29 -8.428 8.991 1.791 1.00 0.00 C ATOM 2038 O GLN C 29 -8.102 9.991 1.158 1.00 0.00 O ATOM 2039 CB GLN C 29 -10.764 8.691 2.769 1.00 0.00 C ATOM 2040 CG GLN C 29 -11.308 9.118 1.409 1.00 0.00 C ATOM 2041 CD GLN C 29 -12.703 8.541 1.185 1.00 0.00 C ATOM 2042 OE1 GLN C 29 -13.516 8.483 2.104 1.00 0.00 O ATOM 2043 NE2 GLN C 29 -12.996 8.106 -0.035 1.00 0.00 N ATOM 0 H GLN C 29 -10.040 11.071 3.201 1.00 0.00 H new ATOM 0 HA GLN C 29 -8.936 8.439 3.796 1.00 0.00 H new ATOM 0 HB2 GLN C 29 -10.831 7.606 2.850 1.00 0.00 H new ATOM 0 HB3 GLN C 29 -11.400 9.109 3.549 1.00 0.00 H new ATOM 0 HG2 GLN C 29 -11.345 10.206 1.351 1.00 0.00 H new ATOM 0 HG3 GLN C 29 -10.637 8.779 0.620 1.00 0.00 H new ATOM 0 HE21 GLN C 29 -12.301 8.167 -0.779 1.00 0.00 H new ATOM 0 HE22 GLN C 29 -13.916 7.711 -0.228 1.00 0.00 H new ATOM 2052 N VAL C 30 -8.037 7.768 1.441 1.00 0.00 N ATOM 2053 CA VAL C 30 -7.048 7.501 0.404 1.00 0.00 C ATOM 2054 C VAL C 30 -7.520 6.334 -0.450 1.00 0.00 C ATOM 2055 O VAL C 30 -8.215 5.448 0.044 1.00 0.00 O ATOM 2056 CB VAL C 30 -5.702 7.199 1.084 1.00 0.00 C ATOM 2057 CG1 VAL C 30 -4.609 6.871 0.072 1.00 0.00 C ATOM 2058 CG2 VAL C 30 -5.223 8.403 1.894 1.00 0.00 C ATOM 0 H VAL C 30 -8.405 6.923 1.878 1.00 0.00 H new ATOM 0 HA VAL C 30 -6.922 8.364 -0.251 1.00 0.00 H new ATOM 0 HB VAL C 30 -5.875 6.337 1.729 1.00 0.00 H new ATOM 0 HG11 VAL C 30 -3.677 6.665 0.598 1.00 0.00 H new ATOM 0 HG12 VAL C 30 -4.901 5.995 -0.507 1.00 0.00 H new ATOM 0 HG13 VAL C 30 -4.468 7.719 -0.598 1.00 0.00 H new ATOM 0 HG21 VAL C 30 -4.269 8.168 2.366 1.00 0.00 H new ATOM 0 HG22 VAL C 30 -5.098 9.260 1.232 1.00 0.00 H new ATOM 0 HG23 VAL C 30 -5.959 8.641 2.662 1.00 0.00 H new ATOM 2068 N ARG C 31 -7.142 6.325 -1.729 1.00 0.00 N ATOM 2069 CA ARG C 31 -7.557 5.291 -2.668 1.00 0.00 C ATOM 2070 C ARG C 31 -6.320 4.650 -3.281 1.00 0.00 C ATOM 2071 O ARG C 31 -5.488 5.332 -3.881 1.00 0.00 O ATOM 2072 CB ARG C 31 -8.458 5.916 -3.724 1.00 0.00 C ATOM 2073 CG ARG C 31 -9.272 4.852 -4.452 1.00 0.00 C ATOM 2074 CD ARG C 31 -10.239 5.578 -5.382 1.00 0.00 C ATOM 2075 NE ARG C 31 -11.203 4.664 -6.001 1.00 0.00 N ATOM 2076 CZ ARG C 31 -11.874 4.953 -7.121 1.00 0.00 C ATOM 2077 NH1 ARG C 31 -11.718 6.127 -7.727 1.00 0.00 N ATOM 2078 NH2 ARG C 31 -12.709 4.062 -7.644 1.00 0.00 N ATOM 0 H ARG C 31 -6.539 7.037 -2.140 1.00 0.00 H new ATOM 0 HA ARG C 31 -8.123 4.509 -2.162 1.00 0.00 H new ATOM 0 HB2 ARG C 31 -9.130 6.634 -3.254 1.00 0.00 H new ATOM 0 HB3 ARG C 31 -7.852 6.469 -4.442 1.00 0.00 H new ATOM 0 HG2 ARG C 31 -8.618 4.189 -5.019 1.00 0.00 H new ATOM 0 HG3 ARG C 31 -9.816 4.231 -3.741 1.00 0.00 H new ATOM 0 HD2 ARG C 31 -10.775 6.343 -4.820 1.00 0.00 H new ATOM 0 HD3 ARG C 31 -9.675 6.091 -6.161 1.00 0.00 H new ATOM 0 HE ARG C 31 -11.371 3.762 -5.555 1.00 0.00 H new ATOM 0 HH11 ARG C 31 -11.080 6.821 -7.338 1.00 0.00 H new ATOM 0 HH12 ARG C 31 -12.237 6.333 -8.581 1.00 0.00 H new ATOM 0 HH21 ARG C 31 -12.838 3.157 -7.191 1.00 0.00 H new ATOM 0 HH22 ARG C 31 -13.221 4.283 -8.498 1.00 0.00 H new ATOM 2092 N ILE C 32 -6.227 3.331 -3.115 1.00 0.00 N ATOM 2093 CA ILE C 32 -5.014 2.575 -3.389 1.00 0.00 C ATOM 2094 C ILE C 32 -5.356 1.351 -4.235 1.00 0.00 C ATOM 2095 O ILE C 32 -6.436 0.782 -4.089 1.00 0.00 O ATOM 2096 CB ILE C 32 -4.403 2.147 -2.042 1.00 0.00 C ATOM 2097 CG1 ILE C 32 -4.178 3.372 -1.139 1.00 0.00 C ATOM 2098 CG2 ILE C 32 -3.083 1.398 -2.244 1.00 0.00 C ATOM 2099 CD1 ILE C 32 -3.677 2.979 0.251 1.00 0.00 C ATOM 0 H ILE C 32 -7.001 2.756 -2.783 1.00 0.00 H new ATOM 0 HA ILE C 32 -4.297 3.183 -3.941 1.00 0.00 H new ATOM 0 HB ILE C 32 -5.109 1.472 -1.558 1.00 0.00 H new ATOM 0 HG12 ILE C 32 -3.456 4.040 -1.609 1.00 0.00 H new ATOM 0 HG13 ILE C 32 -5.111 3.928 -1.044 1.00 0.00 H new ATOM 0 HG21 ILE C 32 -2.677 1.109 -1.275 1.00 0.00 H new ATOM 0 HG22 ILE C 32 -3.259 0.505 -2.844 1.00 0.00 H new ATOM 0 HG23 ILE C 32 -2.372 2.046 -2.757 1.00 0.00 H new ATOM 0 HD11 ILE C 32 -3.533 3.876 0.853 1.00 0.00 H new ATOM 0 HD12 ILE C 32 -4.411 2.333 0.733 1.00 0.00 H new ATOM 0 HD13 ILE C 32 -2.730 2.447 0.159 1.00 0.00 H new ATOM 2111 N GLY C 33 -4.435 0.947 -5.109 1.00 0.00 N ATOM 2112 CA GLY C 33 -4.625 -0.210 -5.964 1.00 0.00 C ATOM 2113 C GLY C 33 -3.507 -1.213 -5.728 1.00 0.00 C ATOM 2114 O GLY C 33 -2.430 -0.855 -5.252 1.00 0.00 O ATOM 0 H GLY C 33 -3.539 1.416 -5.240 1.00 0.00 H new ATOM 0 HA2 GLY C 33 -5.590 -0.672 -5.757 1.00 0.00 H new ATOM 0 HA3 GLY C 33 -4.636 0.097 -7.010 1.00 0.00 H new ATOM 2118 N ILE C 34 -3.774 -2.475 -6.064 1.00 0.00 N ATOM 2119 CA ILE C 34 -2.844 -3.563 -5.853 1.00 0.00 C ATOM 2120 C ILE C 34 -2.827 -4.396 -7.120 1.00 0.00 C ATOM 2121 O ILE C 34 -3.844 -4.530 -7.798 1.00 0.00 O ATOM 2122 CB ILE C 34 -3.285 -4.391 -4.637 1.00 0.00 C ATOM 2123 CG1 ILE C 34 -3.419 -3.488 -3.403 1.00 0.00 C ATOM 2124 CG2 ILE C 34 -2.277 -5.502 -4.345 1.00 0.00 C ATOM 2125 CD1 ILE C 34 -4.076 -4.220 -2.234 1.00 0.00 C ATOM 0 H ILE C 34 -4.653 -2.764 -6.494 1.00 0.00 H new ATOM 0 HA ILE C 34 -1.839 -3.195 -5.646 1.00 0.00 H new ATOM 0 HB ILE C 34 -4.251 -4.841 -4.865 1.00 0.00 H new ATOM 0 HG12 ILE C 34 -2.433 -3.134 -3.102 1.00 0.00 H new ATOM 0 HG13 ILE C 34 -4.009 -2.608 -3.659 1.00 0.00 H new ATOM 0 HG21 ILE C 34 -2.609 -6.076 -3.480 1.00 0.00 H new ATOM 0 HG22 ILE C 34 -2.201 -6.161 -5.210 1.00 0.00 H new ATOM 0 HG23 ILE C 34 -1.302 -5.063 -4.136 1.00 0.00 H new ATOM 0 HD11 ILE C 34 -4.153 -3.547 -1.380 1.00 0.00 H new ATOM 0 HD12 ILE C 34 -5.073 -4.551 -2.526 1.00 0.00 H new ATOM 0 HD13 ILE C 34 -3.472 -5.085 -1.961 1.00 0.00 H new ATOM 2137 N ASN C 35 -1.665 -4.954 -7.438 1.00 0.00 N ATOM 2138 CA ASN C 35 -1.477 -5.716 -8.655 1.00 0.00 C ATOM 2139 C ASN C 35 -0.704 -6.987 -8.332 1.00 0.00 C ATOM 2140 O ASN C 35 0.524 -6.978 -8.261 1.00 0.00 O ATOM 2141 CB ASN C 35 -0.756 -4.847 -9.684 1.00 0.00 C ATOM 2142 CG ASN C 35 -0.625 -5.533 -11.035 1.00 0.00 C ATOM 2143 OD1 ASN C 35 -1.207 -6.590 -11.267 1.00 0.00 O ATOM 2144 ND2 ASN C 35 0.139 -4.932 -11.938 1.00 0.00 N ATOM 0 H ASN C 35 -0.830 -4.888 -6.856 1.00 0.00 H new ATOM 0 HA ASN C 35 -2.436 -6.009 -9.083 1.00 0.00 H new ATOM 0 HB2 ASN C 35 -1.298 -3.909 -9.807 1.00 0.00 H new ATOM 0 HB3 ASN C 35 0.236 -4.595 -9.310 1.00 0.00 H new ATOM 0 HD21 ASN C 35 0.259 -5.347 -12.862 1.00 0.00 H new ATOM 0 HD22 ASN C 35 0.606 -4.055 -11.708 1.00 0.00 H new ATOM 2151 N ALA C 36 -1.441 -8.079 -8.138 1.00 0.00 N ATOM 2152 CA ALA C 36 -0.871 -9.365 -7.780 1.00 0.00 C ATOM 2153 C ALA C 36 -1.620 -10.495 -8.477 1.00 0.00 C ATOM 2154 O ALA C 36 -2.774 -10.318 -8.871 1.00 0.00 O ATOM 2155 CB ALA C 36 -0.982 -9.543 -6.268 1.00 0.00 C ATOM 0 H ALA C 36 -2.457 -8.091 -8.227 1.00 0.00 H new ATOM 0 HA ALA C 36 0.173 -9.396 -8.093 1.00 0.00 H new ATOM 0 HB1 ALA C 36 -0.558 -10.506 -5.983 1.00 0.00 H new ATOM 0 HB2 ALA C 36 -0.437 -8.743 -5.767 1.00 0.00 H new ATOM 0 HB3 ALA C 36 -2.031 -9.507 -5.973 1.00 0.00 H new ATOM 2161 N PRO C 37 -0.973 -11.655 -8.634 1.00 0.00 N ATOM 2162 CA PRO C 37 -1.605 -12.862 -9.126 1.00 0.00 C ATOM 2163 C PRO C 37 -2.628 -13.382 -8.127 1.00 0.00 C ATOM 2164 O PRO C 37 -2.563 -13.069 -6.938 1.00 0.00 O ATOM 2165 CB PRO C 37 -0.466 -13.871 -9.276 1.00 0.00 C ATOM 2166 CG PRO C 37 0.611 -13.391 -8.310 1.00 0.00 C ATOM 2167 CD PRO C 37 0.430 -11.881 -8.335 1.00 0.00 C ATOM 0 HA PRO C 37 -2.135 -12.686 -10.062 1.00 0.00 H new ATOM 0 HB2 PRO C 37 -0.797 -14.880 -9.030 1.00 0.00 H new ATOM 0 HB3 PRO C 37 -0.095 -13.898 -10.300 1.00 0.00 H new ATOM 0 HG2 PRO C 37 0.469 -13.800 -7.309 1.00 0.00 H new ATOM 0 HG3 PRO C 37 1.609 -13.685 -8.636 1.00 0.00 H new ATOM 0 HD2 PRO C 37 0.702 -11.439 -7.376 1.00 0.00 H new ATOM 0 HD3 PRO C 37 1.069 -11.423 -9.090 1.00 0.00 H new ATOM 2175 N LYS C 38 -3.580 -14.188 -8.603 1.00 0.00 N ATOM 2176 CA LYS C 38 -4.535 -14.866 -7.731 1.00 0.00 C ATOM 2177 C LYS C 38 -3.805 -15.855 -6.823 1.00 0.00 C ATOM 2178 O LYS C 38 -4.411 -16.460 -5.939 1.00 0.00 O ATOM 2179 CB LYS C 38 -5.601 -15.568 -8.577 1.00 0.00 C ATOM 2180 CG LYS C 38 -6.416 -14.561 -9.401 1.00 0.00 C ATOM 2181 CD LYS C 38 -7.355 -13.724 -8.528 1.00 0.00 C ATOM 2182 CE LYS C 38 -8.797 -14.226 -8.614 1.00 0.00 C ATOM 2183 NZ LYS C 38 -8.942 -15.612 -8.126 1.00 0.00 N ATOM 0 H LYS C 38 -3.708 -14.386 -9.595 1.00 0.00 H new ATOM 0 HA LYS C 38 -5.033 -14.133 -7.096 1.00 0.00 H new ATOM 0 HB2 LYS C 38 -5.123 -16.285 -9.245 1.00 0.00 H new ATOM 0 HB3 LYS C 38 -6.269 -16.134 -7.927 1.00 0.00 H new ATOM 0 HG2 LYS C 38 -5.736 -13.900 -9.938 1.00 0.00 H new ATOM 0 HG3 LYS C 38 -7.000 -15.095 -10.151 1.00 0.00 H new ATOM 0 HD2 LYS C 38 -7.018 -13.759 -7.492 1.00 0.00 H new ATOM 0 HD3 LYS C 38 -7.312 -12.681 -8.842 1.00 0.00 H new ATOM 0 HE2 LYS C 38 -9.443 -13.569 -8.031 1.00 0.00 H new ATOM 0 HE3 LYS C 38 -9.137 -14.171 -9.648 1.00 0.00 H new ATOM 0 HZ1 LYS C 38 -9.944 -15.888 -8.157 1.00 0.00 H new ATOM 0 HZ2 LYS C 38 -8.388 -16.252 -8.729 1.00 0.00 H new ATOM 0 HZ3 LYS C 38 -8.596 -15.673 -7.147 1.00 0.00 H new ATOM 2197 N ASP C 39 -2.496 -16.004 -7.053 1.00 0.00 N ATOM 2198 CA ASP C 39 -1.593 -16.842 -6.284 1.00 0.00 C ATOM 2199 C ASP C 39 -1.415 -16.316 -4.860 1.00 0.00 C ATOM 2200 O ASP C 39 -0.859 -17.012 -4.011 1.00 0.00 O ATOM 2201 CB ASP C 39 -0.240 -16.842 -6.994 1.00 0.00 C ATOM 2202 CG ASP C 39 0.597 -18.059 -6.610 1.00 0.00 C ATOM 2203 OD1 ASP C 39 0.111 -19.186 -6.845 1.00 0.00 O ATOM 2204 OD2 ASP C 39 1.714 -17.855 -6.088 1.00 0.00 O ATOM 0 H ASP C 39 -2.024 -15.519 -7.816 1.00 0.00 H new ATOM 0 HA ASP C 39 -2.008 -17.848 -6.216 1.00 0.00 H new ATOM 0 HB2 ASP C 39 -0.395 -16.832 -8.073 1.00 0.00 H new ATOM 0 HB3 ASP C 39 0.304 -15.932 -6.742 1.00 0.00 H new ATOM 2209 N VAL C 40 -1.884 -15.091 -4.596 1.00 0.00 N ATOM 2210 CA VAL C 40 -1.759 -14.456 -3.293 1.00 0.00 C ATOM 2211 C VAL C 40 -3.057 -13.737 -2.956 1.00 0.00 C ATOM 2212 O VAL C 40 -3.854 -13.433 -3.845 1.00 0.00 O ATOM 2213 CB VAL C 40 -0.586 -13.464 -3.277 1.00 0.00 C ATOM 2214 CG1 VAL C 40 0.689 -14.096 -3.835 1.00 0.00 C ATOM 2215 CG2 VAL C 40 -0.900 -12.217 -4.099 1.00 0.00 C ATOM 0 H VAL C 40 -2.362 -14.515 -5.289 1.00 0.00 H new ATOM 0 HA VAL C 40 -1.561 -15.224 -2.545 1.00 0.00 H new ATOM 0 HB VAL C 40 -0.432 -13.188 -2.234 1.00 0.00 H new ATOM 0 HG11 VAL C 40 1.498 -13.366 -3.809 1.00 0.00 H new ATOM 0 HG12 VAL C 40 0.961 -14.961 -3.230 1.00 0.00 H new ATOM 0 HG13 VAL C 40 0.518 -14.412 -4.864 1.00 0.00 H new ATOM 0 HG21 VAL C 40 -0.049 -11.536 -4.067 1.00 0.00 H new ATOM 0 HG22 VAL C 40 -1.097 -12.502 -5.132 1.00 0.00 H new ATOM 0 HG23 VAL C 40 -1.778 -11.721 -3.686 1.00 0.00 H new ATOM 2225 N ALA C 41 -3.279 -13.454 -1.672 1.00 0.00 N ATOM 2226 CA ALA C 41 -4.493 -12.801 -1.222 1.00 0.00 C ATOM 2227 C ALA C 41 -4.258 -11.306 -1.029 1.00 0.00 C ATOM 2228 O ALA C 41 -3.176 -10.905 -0.613 1.00 0.00 O ATOM 2229 CB ALA C 41 -4.917 -13.440 0.104 1.00 0.00 C ATOM 0 H ALA C 41 -2.621 -13.673 -0.924 1.00 0.00 H new ATOM 0 HA ALA C 41 -5.276 -12.924 -1.970 1.00 0.00 H new ATOM 0 HB1 ALA C 41 -5.830 -12.964 0.462 1.00 0.00 H new ATOM 0 HB2 ALA C 41 -5.098 -14.504 -0.046 1.00 0.00 H new ATOM 0 HB3 ALA C 41 -4.125 -13.307 0.841 1.00 0.00 H new ATOM 2235 N VAL C 42 -5.266 -10.479 -1.332 1.00 0.00 N ATOM 2236 CA VAL C 42 -5.186 -9.043 -1.078 1.00 0.00 C ATOM 2237 C VAL C 42 -6.554 -8.525 -0.647 1.00 0.00 C ATOM 2238 O VAL C 42 -7.535 -8.667 -1.374 1.00 0.00 O ATOM 2239 CB VAL C 42 -4.655 -8.279 -2.301 1.00 0.00 C ATOM 2240 CG1 VAL C 42 -3.226 -8.709 -2.624 1.00 0.00 C ATOM 2241 CG2 VAL C 42 -5.489 -8.503 -3.562 1.00 0.00 C ATOM 0 H VAL C 42 -6.144 -10.783 -1.753 1.00 0.00 H new ATOM 0 HA VAL C 42 -4.474 -8.871 -0.271 1.00 0.00 H new ATOM 0 HB VAL C 42 -4.706 -7.225 -2.027 1.00 0.00 H new ATOM 0 HG11 VAL C 42 -2.868 -8.157 -3.493 1.00 0.00 H new ATOM 0 HG12 VAL C 42 -2.581 -8.500 -1.770 1.00 0.00 H new ATOM 0 HG13 VAL C 42 -3.207 -9.777 -2.840 1.00 0.00 H new ATOM 0 HG21 VAL C 42 -5.060 -7.935 -4.388 1.00 0.00 H new ATOM 0 HG22 VAL C 42 -5.491 -9.564 -3.813 1.00 0.00 H new ATOM 0 HG23 VAL C 42 -6.512 -8.170 -3.386 1.00 0.00 H new ATOM 2251 N HIS C 43 -6.627 -7.924 0.545 1.00 0.00 N ATOM 2252 CA HIS C 43 -7.880 -7.387 1.063 1.00 0.00 C ATOM 2253 C HIS C 43 -7.595 -6.287 2.080 1.00 0.00 C ATOM 2254 O HIS C 43 -6.492 -6.212 2.618 1.00 0.00 O ATOM 2255 CB HIS C 43 -8.697 -8.485 1.763 1.00 0.00 C ATOM 2256 CG HIS C 43 -8.643 -9.842 1.114 1.00 0.00 C ATOM 2257 ND1 HIS C 43 -9.648 -10.396 0.315 1.00 0.00 N ATOM 2258 CD2 HIS C 43 -7.610 -10.728 1.212 1.00 0.00 C ATOM 2259 CE1 HIS C 43 -9.187 -11.604 -0.055 1.00 0.00 C ATOM 2260 NE2 HIS C 43 -7.971 -11.827 0.467 1.00 0.00 N ATOM 0 H HIS C 43 -5.828 -7.799 1.167 1.00 0.00 H new ATOM 0 HA HIS C 43 -8.446 -6.990 0.220 1.00 0.00 H new ATOM 0 HB2 HIS C 43 -8.344 -8.578 2.790 1.00 0.00 H new ATOM 0 HB3 HIS C 43 -9.738 -8.165 1.811 1.00 0.00 H new ATOM 0 HD1 HIS C 43 -10.542 -9.973 0.065 1.00 0.00 H new ATOM 0 HD2 HIS C 43 -6.692 -10.593 1.764 1.00 0.00 H new ATOM 0 HE1 HIS C 43 -9.722 -12.299 -0.685 1.00 0.00 H new ATOM 2268 N ARG C 44 -8.582 -5.429 2.351 1.00 0.00 N ATOM 2269 CA ARG C 44 -8.449 -4.476 3.441 1.00 0.00 C ATOM 2270 C ARG C 44 -8.588 -5.237 4.757 1.00 0.00 C ATOM 2271 O ARG C 44 -9.149 -6.331 4.777 1.00 0.00 O ATOM 2272 CB ARG C 44 -9.452 -3.329 3.303 1.00 0.00 C ATOM 2273 CG ARG C 44 -10.913 -3.779 3.365 1.00 0.00 C ATOM 2274 CD ARG C 44 -11.799 -2.535 3.243 1.00 0.00 C ATOM 2275 NE ARG C 44 -13.218 -2.846 3.440 1.00 0.00 N ATOM 2276 CZ ARG C 44 -14.002 -3.428 2.534 1.00 0.00 C ATOM 2277 NH1 ARG C 44 -13.517 -3.806 1.352 1.00 0.00 N ATOM 2278 NH2 ARG C 44 -15.284 -3.639 2.813 1.00 0.00 N ATOM 0 H ARG C 44 -9.463 -5.379 1.839 1.00 0.00 H new ATOM 0 HA ARG C 44 -7.468 -4.003 3.415 1.00 0.00 H new ATOM 0 HB2 ARG C 44 -9.271 -2.602 4.095 1.00 0.00 H new ATOM 0 HB3 ARG C 44 -9.278 -2.818 2.356 1.00 0.00 H new ATOM 0 HG2 ARG C 44 -11.130 -4.481 2.560 1.00 0.00 H new ATOM 0 HG3 ARG C 44 -11.112 -4.298 4.303 1.00 0.00 H new ATOM 0 HD2 ARG C 44 -11.485 -1.794 3.978 1.00 0.00 H new ATOM 0 HD3 ARG C 44 -11.660 -2.087 2.259 1.00 0.00 H new ATOM 0 HE ARG C 44 -13.636 -2.598 4.337 1.00 0.00 H new ATOM 0 HH11 ARG C 44 -12.533 -3.651 1.131 1.00 0.00 H new ATOM 0 HH12 ARG C 44 -14.129 -4.251 0.668 1.00 0.00 H new ATOM 0 HH21 ARG C 44 -15.663 -3.356 3.717 1.00 0.00 H new ATOM 0 HH22 ARG C 44 -15.889 -4.084 2.123 1.00 0.00 H new ATOM 2292 N GLU C 45 -8.081 -4.668 5.852 1.00 0.00 N ATOM 2293 CA GLU C 45 -8.023 -5.361 7.130 1.00 0.00 C ATOM 2294 C GLU C 45 -9.400 -5.848 7.607 1.00 0.00 C ATOM 2295 O GLU C 45 -9.474 -6.769 8.417 1.00 0.00 O ATOM 2296 CB GLU C 45 -7.354 -4.446 8.160 1.00 0.00 C ATOM 2297 CG GLU C 45 -6.870 -5.255 9.365 1.00 0.00 C ATOM 2298 CD GLU C 45 -6.220 -4.363 10.418 1.00 0.00 C ATOM 2299 OE1 GLU C 45 -6.951 -3.543 11.018 1.00 0.00 O ATOM 2300 OE2 GLU C 45 -4.992 -4.505 10.613 1.00 0.00 O ATOM 0 H GLU C 45 -7.703 -3.721 5.874 1.00 0.00 H new ATOM 0 HA GLU C 45 -7.427 -6.265 7.005 1.00 0.00 H new ATOM 0 HB2 GLU C 45 -6.512 -3.928 7.701 1.00 0.00 H new ATOM 0 HB3 GLU C 45 -8.059 -3.682 8.488 1.00 0.00 H new ATOM 0 HG2 GLU C 45 -7.712 -5.787 9.808 1.00 0.00 H new ATOM 0 HG3 GLU C 45 -6.155 -6.008 9.034 1.00 0.00 H new ATOM 2307 N GLU C 46 -10.495 -5.253 7.125 1.00 0.00 N ATOM 2308 CA GLU C 46 -11.834 -5.685 7.493 1.00 0.00 C ATOM 2309 C GLU C 46 -12.110 -7.094 6.970 1.00 0.00 C ATOM 2310 O GLU C 46 -12.557 -7.955 7.721 1.00 0.00 O ATOM 2311 CB GLU C 46 -12.883 -4.741 6.887 1.00 0.00 C ATOM 2312 CG GLU C 46 -12.962 -3.384 7.590 1.00 0.00 C ATOM 2313 CD GLU C 46 -11.759 -2.480 7.323 1.00 0.00 C ATOM 2314 OE1 GLU C 46 -11.040 -2.727 6.334 1.00 0.00 O ATOM 2315 OE2 GLU C 46 -11.563 -1.535 8.120 1.00 0.00 O ATOM 0 H GLU C 46 -10.473 -4.467 6.476 1.00 0.00 H new ATOM 0 HA GLU C 46 -11.897 -5.674 8.581 1.00 0.00 H new ATOM 0 HB2 GLU C 46 -12.652 -4.583 5.834 1.00 0.00 H new ATOM 0 HB3 GLU C 46 -13.861 -5.221 6.930 1.00 0.00 H new ATOM 0 HG2 GLU C 46 -13.869 -2.871 7.269 1.00 0.00 H new ATOM 0 HG3 GLU C 46 -13.051 -3.546 8.664 1.00 0.00 H new ATOM 2322 N ILE C 47 -11.845 -7.334 5.683 1.00 0.00 N ATOM 2323 CA ILE C 47 -12.106 -8.624 5.065 1.00 0.00 C ATOM 2324 C ILE C 47 -11.087 -9.639 5.571 1.00 0.00 C ATOM 2325 O ILE C 47 -11.398 -10.815 5.729 1.00 0.00 O ATOM 2326 CB ILE C 47 -12.006 -8.491 3.539 1.00 0.00 C ATOM 2327 CG1 ILE C 47 -13.275 -7.897 2.924 1.00 0.00 C ATOM 2328 CG2 ILE C 47 -11.811 -9.861 2.881 1.00 0.00 C ATOM 2329 CD1 ILE C 47 -13.625 -6.518 3.478 1.00 0.00 C ATOM 0 H ILE C 47 -11.446 -6.641 5.049 1.00 0.00 H new ATOM 0 HA ILE C 47 -13.109 -8.962 5.326 1.00 0.00 H new ATOM 0 HB ILE C 47 -11.155 -7.834 3.359 1.00 0.00 H new ATOM 0 HG12 ILE C 47 -13.148 -7.826 1.844 1.00 0.00 H new ATOM 0 HG13 ILE C 47 -14.109 -8.575 3.103 1.00 0.00 H new ATOM 0 HG21 ILE C 47 -11.743 -9.739 1.800 1.00 0.00 H new ATOM 0 HG22 ILE C 47 -10.893 -10.316 3.253 1.00 0.00 H new ATOM 0 HG23 ILE C 47 -12.658 -10.504 3.121 1.00 0.00 H new ATOM 0 HD11 ILE C 47 -14.535 -6.154 3.000 1.00 0.00 H new ATOM 0 HD12 ILE C 47 -13.783 -6.588 4.554 1.00 0.00 H new ATOM 0 HD13 ILE C 47 -12.807 -5.826 3.276 1.00 0.00 H new ATOM 2341 N TYR C 48 -9.867 -9.167 5.827 1.00 0.00 N ATOM 2342 CA TYR C 48 -8.773 -10.018 6.241 1.00 0.00 C ATOM 2343 C TYR C 48 -9.096 -10.798 7.517 1.00 0.00 C ATOM 2344 O TYR C 48 -8.616 -11.914 7.704 1.00 0.00 O ATOM 2345 CB TYR C 48 -7.555 -9.130 6.461 1.00 0.00 C ATOM 2346 CG TYR C 48 -6.341 -9.909 6.886 1.00 0.00 C ATOM 2347 CD1 TYR C 48 -5.527 -10.529 5.931 1.00 0.00 C ATOM 2348 CD2 TYR C 48 -6.047 -10.009 8.252 1.00 0.00 C ATOM 2349 CE1 TYR C 48 -4.402 -11.260 6.343 1.00 0.00 C ATOM 2350 CE2 TYR C 48 -4.933 -10.740 8.671 1.00 0.00 C ATOM 2351 CZ TYR C 48 -4.099 -11.363 7.717 1.00 0.00 C ATOM 2352 OH TYR C 48 -3.003 -12.064 8.122 1.00 0.00 O ATOM 0 H TYR C 48 -9.618 -8.181 5.750 1.00 0.00 H new ATOM 0 HA TYR C 48 -8.585 -10.760 5.465 1.00 0.00 H new ATOM 0 HB2 TYR C 48 -7.332 -8.591 5.540 1.00 0.00 H new ATOM 0 HB3 TYR C 48 -7.787 -8.383 7.220 1.00 0.00 H new ATOM 0 HD1 TYR C 48 -5.764 -10.445 4.881 1.00 0.00 H new ATOM 0 HD2 TYR C 48 -6.680 -9.522 8.979 1.00 0.00 H new ATOM 0 HE1 TYR C 48 -3.771 -11.742 5.611 1.00 0.00 H new ATOM 0 HE2 TYR C 48 -4.710 -10.829 9.724 1.00 0.00 H new ATOM 0 HH TYR C 48 -2.939 -12.035 9.099 1.00 0.00 H new