USER MOD reduce.3.24.130724 H: found=0, std=0, add=261, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 262 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 7 SER OG : rot -140:sc= 0.531 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0.614 USER MOD Single : A 2 THR OG1 : rot -24:sc= 0.412 USER MOD Single : A 12 ASN : amide:sc= -2.02 X(o=-2,f=-1.9!) USER MOD Single : A 13 HIS : no HE2:sc= -5.28! C(o=-5.3!,f=-6.1!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= 0 X(o=0,f=-0.0058) USER MOD Single : A 25 ASN :FLIP amide:sc= -0.282 F(o=-0.92,f=-0.28) USER MOD Single : A 29 TYR OH : rot 180:sc= -0.483 USER MOD Single : A 31 ASN : amide:sc= -3.16! C(o=-3.2!,f=-8.2!) USER MOD Single : A 33 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.131) USER MOD Single : A 40 ASN : amide:sc= 0.5 K(o=0.5,f=-5.7!) USER MOD ----------------------------------------------------------------- ATOM 13 N THR A 2 -5.984 8.811 -0.936 1.00 0.00 N ATOM 14 CA THR A 2 -5.036 9.971 -0.889 1.00 0.00 C ATOM 15 C THR A 2 -3.748 9.584 -0.140 1.00 0.00 C ATOM 16 O THR A 2 -2.998 10.437 0.295 1.00 0.00 O ATOM 17 CB THR A 2 -5.742 11.146 -0.177 1.00 0.00 C ATOM 18 OG1 THR A 2 -6.204 10.590 1.048 1.00 0.00 O ATOM 19 CG2 THR A 2 -7.026 11.578 -0.908 1.00 0.00 C ATOM 0 HA THR A 2 -4.757 10.263 -1.901 1.00 0.00 H new ATOM 0 HB THR A 2 -5.060 11.993 -0.104 1.00 0.00 H new ATOM 0 HG1 THR A 2 -6.300 9.620 0.951 1.00 0.00 H new ATOM 0 HG21 THR A 2 -7.489 12.407 -0.372 1.00 0.00 H new ATOM 0 HG22 THR A 2 -6.779 11.894 -1.921 1.00 0.00 H new ATOM 0 HG23 THR A 2 -7.721 10.739 -0.949 1.00 0.00 H new ATOM 27 N CYS A 3 -3.545 8.295 -0.023 1.00 0.00 N ATOM 28 CA CYS A 3 -2.341 7.749 0.673 1.00 0.00 C ATOM 29 C CYS A 3 -1.683 6.719 -0.271 1.00 0.00 C ATOM 30 O CYS A 3 -1.518 5.563 0.060 1.00 0.00 O ATOM 31 CB CYS A 3 -2.810 7.102 2.007 1.00 0.00 C ATOM 32 SG CYS A 3 -1.573 6.640 3.247 1.00 0.00 S ATOM 0 H CYS A 3 -4.178 7.584 -0.389 1.00 0.00 H new ATOM 0 HA CYS A 3 -1.608 8.521 0.909 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -3.507 7.794 2.480 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -3.374 6.204 1.756 1.00 0.00 H new ATOM 37 N ASP A 4 -1.326 7.161 -1.448 1.00 0.00 N ATOM 38 CA ASP A 4 -0.676 6.238 -2.434 1.00 0.00 C ATOM 39 C ASP A 4 0.599 6.934 -2.919 1.00 0.00 C ATOM 40 O ASP A 4 0.616 8.147 -2.975 1.00 0.00 O ATOM 41 CB ASP A 4 -1.649 5.996 -3.611 1.00 0.00 C ATOM 42 CG ASP A 4 -1.250 4.753 -4.433 1.00 0.00 C ATOM 43 OD1 ASP A 4 -0.094 4.668 -4.814 1.00 0.00 O ATOM 44 OD2 ASP A 4 -2.146 3.949 -4.637 1.00 0.00 O ATOM 0 H ASP A 4 -1.455 8.120 -1.772 1.00 0.00 H new ATOM 0 HA ASP A 4 -0.433 5.273 -1.990 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -2.661 5.869 -3.227 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -1.662 6.872 -4.259 1.00 0.00 H new ATOM 49 N LEU A 5 1.592 6.135 -3.243 1.00 0.00 N ATOM 50 CA LEU A 5 2.944 6.574 -3.747 1.00 0.00 C ATOM 51 C LEU A 5 3.117 8.084 -4.029 1.00 0.00 C ATOM 52 O LEU A 5 3.338 8.489 -5.154 1.00 0.00 O ATOM 53 CB LEU A 5 3.228 5.730 -5.025 1.00 0.00 C ATOM 54 CG LEU A 5 3.394 4.220 -4.652 1.00 0.00 C ATOM 55 CD1 LEU A 5 3.304 3.381 -5.941 1.00 0.00 C ATOM 56 CD2 LEU A 5 4.790 3.971 -4.022 1.00 0.00 C ATOM 0 H LEU A 5 1.512 5.121 -3.173 1.00 0.00 H new ATOM 0 HA LEU A 5 3.664 6.402 -2.947 1.00 0.00 H new ATOM 0 HB2 LEU A 5 2.411 5.848 -5.736 1.00 0.00 H new ATOM 0 HB3 LEU A 5 4.132 6.092 -5.515 1.00 0.00 H new ATOM 0 HG LEU A 5 2.614 3.944 -3.942 1.00 0.00 H new ATOM 0 HD11 LEU A 5 3.418 2.325 -5.696 1.00 0.00 H new ATOM 0 HD12 LEU A 5 2.335 3.542 -6.413 1.00 0.00 H new ATOM 0 HD13 LEU A 5 4.096 3.682 -6.627 1.00 0.00 H new ATOM 0 HD21 LEU A 5 4.891 2.916 -3.767 1.00 0.00 H new ATOM 0 HD22 LEU A 5 5.566 4.248 -4.736 1.00 0.00 H new ATOM 0 HD23 LEU A 5 4.895 4.574 -3.120 1.00 0.00 H new ATOM 68 N LEU A 6 3.007 8.869 -2.983 1.00 0.00 N ATOM 69 CA LEU A 6 3.148 10.352 -3.102 1.00 0.00 C ATOM 70 C LEU A 6 4.444 10.714 -3.836 1.00 0.00 C ATOM 71 O LEU A 6 4.404 11.281 -4.909 1.00 0.00 O ATOM 72 CB LEU A 6 3.141 10.963 -1.680 1.00 0.00 C ATOM 73 CG LEU A 6 1.789 10.672 -0.966 1.00 0.00 C ATOM 74 CD1 LEU A 6 1.908 11.076 0.514 1.00 0.00 C ATOM 75 CD2 LEU A 6 0.657 11.514 -1.607 1.00 0.00 C ATOM 0 H LEU A 6 2.822 8.536 -2.037 1.00 0.00 H new ATOM 0 HA LEU A 6 2.317 10.754 -3.681 1.00 0.00 H new ATOM 0 HB2 LEU A 6 3.963 10.549 -1.096 1.00 0.00 H new ATOM 0 HB3 LEU A 6 3.303 12.039 -1.740 1.00 0.00 H new ATOM 0 HG LEU A 6 1.559 9.611 -1.062 1.00 0.00 H new ATOM 0 HD11 LEU A 6 0.965 10.876 1.023 1.00 0.00 H new ATOM 0 HD12 LEU A 6 2.704 10.500 0.986 1.00 0.00 H new ATOM 0 HD13 LEU A 6 2.139 12.139 0.584 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.285 11.303 -1.100 1.00 0.00 H new ATOM 0 HD22 LEU A 6 0.892 12.574 -1.510 1.00 0.00 H new ATOM 0 HD23 LEU A 6 0.566 11.258 -2.663 1.00 0.00 H new ATOM 87 N SER A 7 5.550 10.372 -3.228 1.00 0.00 N ATOM 88 CA SER A 7 6.882 10.666 -3.839 1.00 0.00 C ATOM 89 C SER A 7 7.887 9.568 -3.486 1.00 0.00 C ATOM 90 O SER A 7 7.612 8.675 -2.706 1.00 0.00 O ATOM 91 CB SER A 7 7.354 12.053 -3.308 1.00 0.00 C ATOM 92 OG SER A 7 8.640 12.284 -3.875 1.00 0.00 O ATOM 0 H SER A 7 5.588 9.897 -2.326 1.00 0.00 H new ATOM 0 HA SER A 7 6.806 10.693 -4.926 1.00 0.00 H new ATOM 0 HB2 SER A 7 6.655 12.838 -3.597 1.00 0.00 H new ATOM 0 HB3 SER A 7 7.403 12.056 -2.219 1.00 0.00 H new ATOM 0 HG SER A 7 9.226 12.690 -3.202 1.00 0.00 H new ATOM 98 N GLY A 8 9.039 9.697 -4.093 1.00 0.00 N ATOM 99 CA GLY A 8 10.152 8.731 -3.867 1.00 0.00 C ATOM 100 C GLY A 8 10.714 9.147 -2.498 1.00 0.00 C ATOM 101 O GLY A 8 11.370 8.378 -1.826 1.00 0.00 O ATOM 0 H GLY A 8 9.257 10.447 -4.749 1.00 0.00 H new ATOM 0 HA2 GLY A 8 9.795 7.701 -3.858 1.00 0.00 H new ATOM 0 HA3 GLY A 8 10.908 8.799 -4.649 1.00 0.00 H new ATOM 105 N THR A 9 10.420 10.376 -2.144 1.00 0.00 N ATOM 106 CA THR A 9 10.853 10.978 -0.858 1.00 0.00 C ATOM 107 C THR A 9 9.541 11.183 -0.067 1.00 0.00 C ATOM 108 O THR A 9 9.307 12.228 0.509 1.00 0.00 O ATOM 109 CB THR A 9 11.561 12.321 -1.176 1.00 0.00 C ATOM 110 OG1 THR A 9 10.578 13.088 -1.866 1.00 0.00 O ATOM 111 CG2 THR A 9 12.659 12.147 -2.238 1.00 0.00 C ATOM 0 H THR A 9 9.872 11.008 -2.727 1.00 0.00 H new ATOM 0 HA THR A 9 11.554 10.371 -0.285 1.00 0.00 H new ATOM 0 HB THR A 9 11.971 12.739 -0.256 1.00 0.00 H new ATOM 0 HG1 THR A 9 10.952 13.962 -2.103 1.00 0.00 H new ATOM 0 HG21 THR A 9 13.132 13.109 -2.434 1.00 0.00 H new ATOM 0 HG22 THR A 9 13.407 11.442 -1.876 1.00 0.00 H new ATOM 0 HG23 THR A 9 12.217 11.766 -3.159 1.00 0.00 H new ATOM 119 N GLY A 10 8.722 10.158 -0.070 1.00 0.00 N ATOM 120 CA GLY A 10 7.408 10.206 0.649 1.00 0.00 C ATOM 121 C GLY A 10 7.356 9.188 1.791 1.00 0.00 C ATOM 122 O GLY A 10 8.211 8.329 1.885 1.00 0.00 O ATOM 0 H GLY A 10 8.911 9.277 -0.547 1.00 0.00 H new ATOM 0 HA2 GLY A 10 7.246 11.208 1.046 1.00 0.00 H new ATOM 0 HA3 GLY A 10 6.600 10.007 -0.054 1.00 0.00 H new ATOM 126 N ILE A 11 6.342 9.340 2.614 1.00 0.00 N ATOM 127 CA ILE A 11 6.103 8.450 3.803 1.00 0.00 C ATOM 128 C ILE A 11 6.653 7.013 3.658 1.00 0.00 C ATOM 129 O ILE A 11 7.279 6.526 4.576 1.00 0.00 O ATOM 130 CB ILE A 11 4.543 8.434 4.111 1.00 0.00 C ATOM 131 CG1 ILE A 11 3.682 7.672 3.063 1.00 0.00 C ATOM 132 CG2 ILE A 11 4.013 9.881 4.243 1.00 0.00 C ATOM 133 CD1 ILE A 11 3.512 6.207 3.520 1.00 0.00 C ATOM 0 H ILE A 11 5.642 10.074 2.506 1.00 0.00 H new ATOM 0 HA ILE A 11 6.666 8.870 4.636 1.00 0.00 H new ATOM 0 HB ILE A 11 4.441 7.887 5.049 1.00 0.00 H new ATOM 0 HG12 ILE A 11 2.708 8.149 2.958 1.00 0.00 H new ATOM 0 HG13 ILE A 11 4.161 7.708 2.085 1.00 0.00 H new ATOM 0 HG21 ILE A 11 2.944 9.859 4.454 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.533 10.386 5.057 1.00 0.00 H new ATOM 0 HG23 ILE A 11 4.188 10.419 3.311 1.00 0.00 H new ATOM 0 HD11 ILE A 11 2.909 5.666 2.790 1.00 0.00 H new ATOM 0 HD12 ILE A 11 4.491 5.736 3.603 1.00 0.00 H new ATOM 0 HD13 ILE A 11 3.015 6.184 4.490 1.00 0.00 H new ATOM 145 N ASN A 12 6.385 6.415 2.514 1.00 0.00 N ATOM 146 CA ASN A 12 6.801 5.019 2.111 1.00 0.00 C ATOM 147 C ASN A 12 5.580 4.086 1.946 1.00 0.00 C ATOM 148 O ASN A 12 5.080 3.538 2.908 1.00 0.00 O ATOM 149 CB ASN A 12 7.750 4.340 3.158 1.00 0.00 C ATOM 150 CG ASN A 12 8.234 2.970 2.670 1.00 0.00 C ATOM 151 OD1 ASN A 12 8.498 2.087 3.459 1.00 0.00 O ATOM 152 ND2 ASN A 12 8.379 2.737 1.395 1.00 0.00 N ATOM 0 H ASN A 12 5.848 6.881 1.783 1.00 0.00 H new ATOM 0 HA ASN A 12 7.327 5.148 1.165 1.00 0.00 H new ATOM 0 HB2 ASN A 12 8.608 4.985 3.345 1.00 0.00 H new ATOM 0 HB3 ASN A 12 7.225 4.225 4.106 1.00 0.00 H new ATOM 0 HD21 ASN A 12 8.709 1.826 1.077 1.00 0.00 H new ATOM 0 HD22 ASN A 12 8.162 3.466 0.715 1.00 0.00 H new ATOM 159 N HIS A 13 5.129 3.931 0.726 1.00 0.00 N ATOM 160 CA HIS A 13 3.946 3.041 0.446 1.00 0.00 C ATOM 161 C HIS A 13 4.496 1.680 -0.012 1.00 0.00 C ATOM 162 O HIS A 13 3.911 0.646 0.242 1.00 0.00 O ATOM 163 CB HIS A 13 3.087 3.677 -0.662 1.00 0.00 C ATOM 164 CG HIS A 13 2.544 5.028 -0.170 1.00 0.00 C ATOM 165 ND1 HIS A 13 1.480 5.188 0.571 1.00 0.00 N ATOM 166 CD2 HIS A 13 3.044 6.308 -0.390 1.00 0.00 C ATOM 167 CE1 HIS A 13 1.283 6.449 0.822 1.00 0.00 C ATOM 168 NE2 HIS A 13 2.231 7.114 0.237 1.00 0.00 N ATOM 0 H HIS A 13 5.528 4.383 -0.097 1.00 0.00 H new ATOM 0 HA HIS A 13 3.323 2.915 1.332 1.00 0.00 H new ATOM 0 HB2 HIS A 13 3.682 3.818 -1.564 1.00 0.00 H new ATOM 0 HB3 HIS A 13 2.262 3.014 -0.925 1.00 0.00 H new ATOM 0 HD1 HIS A 13 0.886 4.429 0.906 1.00 0.00 H new ATOM 0 HD2 HIS A 13 3.921 6.578 -0.960 1.00 0.00 H new ATOM 0 HE1 HIS A 13 0.478 6.866 1.409 1.00 0.00 H new ATOM 177 N SER A 14 5.620 1.738 -0.689 1.00 0.00 N ATOM 178 CA SER A 14 6.327 0.521 -1.215 1.00 0.00 C ATOM 179 C SER A 14 6.292 -0.632 -0.184 1.00 0.00 C ATOM 180 O SER A 14 6.026 -1.769 -0.524 1.00 0.00 O ATOM 181 CB SER A 14 7.782 0.922 -1.541 1.00 0.00 C ATOM 182 OG SER A 14 8.321 -0.201 -2.222 1.00 0.00 O ATOM 0 H SER A 14 6.095 2.614 -0.907 1.00 0.00 H new ATOM 0 HA SER A 14 5.826 0.159 -2.113 1.00 0.00 H new ATOM 0 HB2 SER A 14 7.816 1.816 -2.163 1.00 0.00 H new ATOM 0 HB3 SER A 14 8.345 1.143 -0.634 1.00 0.00 H new ATOM 0 HG SER A 14 9.253 -0.020 -2.466 1.00 0.00 H new ATOM 188 N ALA A 15 6.578 -0.292 1.053 1.00 0.00 N ATOM 189 CA ALA A 15 6.576 -1.303 2.163 1.00 0.00 C ATOM 190 C ALA A 15 5.326 -2.189 2.073 1.00 0.00 C ATOM 191 O ALA A 15 5.412 -3.404 2.038 1.00 0.00 O ATOM 192 CB ALA A 15 6.593 -0.574 3.515 1.00 0.00 C ATOM 0 H ALA A 15 6.816 0.656 1.344 1.00 0.00 H new ATOM 0 HA ALA A 15 7.461 -1.933 2.072 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.592 -1.306 4.323 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.489 0.042 3.585 1.00 0.00 H new ATOM 0 HB3 ALA A 15 5.710 0.060 3.598 1.00 0.00 H new ATOM 198 N CYS A 16 4.194 -1.526 2.038 1.00 0.00 N ATOM 199 CA CYS A 16 2.884 -2.236 1.947 1.00 0.00 C ATOM 200 C CYS A 16 2.939 -3.231 0.776 1.00 0.00 C ATOM 201 O CYS A 16 2.668 -4.405 0.936 1.00 0.00 O ATOM 202 CB CYS A 16 1.745 -1.221 1.699 1.00 0.00 C ATOM 203 SG CYS A 16 1.547 0.209 2.796 1.00 0.00 S ATOM 0 H CYS A 16 4.125 -0.509 2.069 1.00 0.00 H new ATOM 0 HA CYS A 16 2.692 -2.763 2.882 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.868 -0.837 0.686 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.807 -1.776 1.718 1.00 0.00 H new ATOM 208 N ALA A 17 3.295 -2.704 -0.374 1.00 0.00 N ATOM 209 CA ALA A 17 3.398 -3.537 -1.616 1.00 0.00 C ATOM 210 C ALA A 17 4.141 -4.840 -1.343 1.00 0.00 C ATOM 211 O ALA A 17 3.567 -5.890 -1.507 1.00 0.00 O ATOM 212 CB ALA A 17 4.137 -2.754 -2.726 1.00 0.00 C ATOM 0 H ALA A 17 3.521 -1.718 -0.505 1.00 0.00 H new ATOM 0 HA ALA A 17 2.385 -3.771 -1.943 1.00 0.00 H new ATOM 0 HB1 ALA A 17 4.205 -3.370 -3.622 1.00 0.00 H new ATOM 0 HB2 ALA A 17 3.588 -1.841 -2.954 1.00 0.00 H new ATOM 0 HB3 ALA A 17 5.140 -2.498 -2.385 1.00 0.00 H new ATOM 218 N ALA A 18 5.382 -4.740 -0.938 1.00 0.00 N ATOM 219 CA ALA A 18 6.208 -5.962 -0.639 1.00 0.00 C ATOM 220 C ALA A 18 5.357 -7.039 0.060 1.00 0.00 C ATOM 221 O ALA A 18 5.175 -8.135 -0.436 1.00 0.00 O ATOM 222 CB ALA A 18 7.390 -5.558 0.259 1.00 0.00 C ATOM 0 H ALA A 18 5.869 -3.855 -0.798 1.00 0.00 H new ATOM 0 HA ALA A 18 6.579 -6.381 -1.574 1.00 0.00 H new ATOM 0 HB1 ALA A 18 7.995 -6.437 0.482 1.00 0.00 H new ATOM 0 HB2 ALA A 18 8.002 -4.817 -0.256 1.00 0.00 H new ATOM 0 HB3 ALA A 18 7.012 -5.133 1.189 1.00 0.00 H new ATOM 228 N HIS A 19 4.854 -6.658 1.208 1.00 0.00 N ATOM 229 CA HIS A 19 3.998 -7.575 2.026 1.00 0.00 C ATOM 230 C HIS A 19 2.854 -8.171 1.177 1.00 0.00 C ATOM 231 O HIS A 19 2.692 -9.375 1.085 1.00 0.00 O ATOM 232 CB HIS A 19 3.452 -6.754 3.214 1.00 0.00 C ATOM 233 CG HIS A 19 2.583 -7.632 4.117 1.00 0.00 C ATOM 234 ND1 HIS A 19 2.980 -8.753 4.662 1.00 0.00 N ATOM 235 CD2 HIS A 19 1.267 -7.447 4.537 1.00 0.00 C ATOM 236 CE1 HIS A 19 2.030 -9.272 5.377 1.00 0.00 C ATOM 237 NE2 HIS A 19 1.002 -8.479 5.295 1.00 0.00 N ATOM 0 H HIS A 19 5.002 -5.737 1.620 1.00 0.00 H new ATOM 0 HA HIS A 19 4.581 -8.421 2.390 1.00 0.00 H new ATOM 0 HB2 HIS A 19 4.280 -6.339 3.788 1.00 0.00 H new ATOM 0 HB3 HIS A 19 2.867 -5.912 2.844 1.00 0.00 H new ATOM 0 HD2 HIS A 19 0.608 -6.628 4.290 1.00 0.00 H new ATOM 0 HE1 HIS A 19 2.083 -10.194 5.938 1.00 0.00 H new ATOM 0 HE2 HIS A 19 0.109 -8.641 5.760 1.00 0.00 H new ATOM 246 N CYS A 20 2.088 -7.294 0.579 1.00 0.00 N ATOM 247 CA CYS A 20 0.936 -7.717 -0.281 1.00 0.00 C ATOM 248 C CYS A 20 1.384 -8.726 -1.364 1.00 0.00 C ATOM 249 O CYS A 20 0.789 -9.774 -1.520 1.00 0.00 O ATOM 250 CB CYS A 20 0.333 -6.450 -0.920 1.00 0.00 C ATOM 251 SG CYS A 20 -0.296 -5.177 0.203 1.00 0.00 S ATOM 0 H CYS A 20 2.213 -6.284 0.651 1.00 0.00 H new ATOM 0 HA CYS A 20 0.186 -8.224 0.326 1.00 0.00 H new ATOM 0 HB2 CYS A 20 1.095 -5.995 -1.553 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -0.483 -6.757 -1.574 1.00 0.00 H new ATOM 256 N LEU A 21 2.416 -8.369 -2.083 1.00 0.00 N ATOM 257 CA LEU A 21 2.980 -9.234 -3.167 1.00 0.00 C ATOM 258 C LEU A 21 3.183 -10.657 -2.639 1.00 0.00 C ATOM 259 O LEU A 21 2.635 -11.583 -3.203 1.00 0.00 O ATOM 260 CB LEU A 21 4.328 -8.610 -3.642 1.00 0.00 C ATOM 261 CG LEU A 21 4.144 -7.641 -4.856 1.00 0.00 C ATOM 262 CD1 LEU A 21 3.821 -8.450 -6.129 1.00 0.00 C ATOM 263 CD2 LEU A 21 3.013 -6.605 -4.623 1.00 0.00 C ATOM 0 H LEU A 21 2.908 -7.484 -1.960 1.00 0.00 H new ATOM 0 HA LEU A 21 2.294 -9.288 -4.012 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.785 -8.068 -2.814 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.017 -9.408 -3.919 1.00 0.00 H new ATOM 0 HG LEU A 21 5.082 -7.097 -4.971 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.694 -7.769 -6.971 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.639 -9.139 -6.340 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.901 -9.015 -5.978 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.927 -5.957 -5.496 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.069 -7.126 -4.464 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.247 -6.002 -3.745 1.00 0.00 H new ATOM 275 N LEU A 22 3.961 -10.782 -1.585 1.00 0.00 N ATOM 276 CA LEU A 22 4.236 -12.128 -0.967 1.00 0.00 C ATOM 277 C LEU A 22 2.954 -12.976 -0.923 1.00 0.00 C ATOM 278 O LEU A 22 2.917 -14.075 -1.441 1.00 0.00 O ATOM 279 CB LEU A 22 4.774 -11.956 0.480 1.00 0.00 C ATOM 280 CG LEU A 22 6.111 -11.165 0.522 1.00 0.00 C ATOM 281 CD1 LEU A 22 6.570 -11.034 1.989 1.00 0.00 C ATOM 282 CD2 LEU A 22 7.218 -11.876 -0.285 1.00 0.00 C ATOM 0 H LEU A 22 4.423 -10.001 -1.120 1.00 0.00 H new ATOM 0 HA LEU A 22 4.983 -12.633 -1.580 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.029 -11.438 1.083 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.921 -12.938 0.930 1.00 0.00 H new ATOM 0 HG LEU A 22 5.940 -10.185 0.078 1.00 0.00 H new ATOM 0 HD11 LEU A 22 7.508 -10.480 2.029 1.00 0.00 H new ATOM 0 HD12 LEU A 22 5.810 -10.502 2.562 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.717 -12.027 2.414 1.00 0.00 H new ATOM 0 HD21 LEU A 22 8.138 -11.293 -0.232 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.392 -12.868 0.132 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.907 -11.970 -1.325 1.00 0.00 H new ATOM 294 N ARG A 23 1.950 -12.418 -0.293 1.00 0.00 N ATOM 295 CA ARG A 23 0.624 -13.110 -0.166 1.00 0.00 C ATOM 296 C ARG A 23 0.122 -13.525 -1.561 1.00 0.00 C ATOM 297 O ARG A 23 -0.285 -14.652 -1.773 1.00 0.00 O ATOM 298 CB ARG A 23 -0.385 -12.151 0.493 1.00 0.00 C ATOM 299 CG ARG A 23 -0.019 -11.903 1.975 1.00 0.00 C ATOM 300 CD ARG A 23 -0.962 -10.830 2.560 1.00 0.00 C ATOM 301 NE ARG A 23 -2.378 -11.247 2.314 1.00 0.00 N ATOM 302 CZ ARG A 23 -3.182 -11.459 3.316 1.00 0.00 C ATOM 303 NH1 ARG A 23 -3.243 -12.657 3.828 1.00 0.00 N ATOM 304 NH2 ARG A 23 -3.889 -10.459 3.762 1.00 0.00 N ATOM 0 H ARG A 23 1.991 -11.498 0.146 1.00 0.00 H new ATOM 0 HA ARG A 23 0.731 -14.002 0.451 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -0.399 -11.204 -0.046 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.389 -12.570 0.427 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.106 -12.829 2.543 1.00 0.00 H new ATOM 0 HG3 ARG A 23 1.018 -11.576 2.056 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -0.783 -10.713 3.629 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -0.767 -9.863 2.096 1.00 0.00 H new ATOM 0 HE ARG A 23 -2.714 -11.366 1.358 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -2.668 -13.406 3.443 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -3.866 -12.845 4.613 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -3.804 -9.540 3.327 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -4.527 -10.595 4.546 1.00 0.00 H new ATOM 318 N GLY A 24 0.174 -12.573 -2.457 1.00 0.00 N ATOM 319 CA GLY A 24 -0.265 -12.782 -3.874 1.00 0.00 C ATOM 320 C GLY A 24 -1.241 -11.688 -4.310 1.00 0.00 C ATOM 321 O GLY A 24 -2.329 -11.970 -4.772 1.00 0.00 O ATOM 0 H GLY A 24 0.512 -11.631 -2.261 1.00 0.00 H new ATOM 0 HA2 GLY A 24 0.604 -12.783 -4.532 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.740 -13.758 -3.972 1.00 0.00 H new ATOM 325 N ASN A 25 -0.803 -10.467 -4.142 1.00 0.00 N ATOM 326 CA ASN A 25 -1.623 -9.267 -4.514 1.00 0.00 C ATOM 327 C ASN A 25 -0.745 -8.355 -5.387 1.00 0.00 C ATOM 328 O ASN A 25 0.417 -8.657 -5.586 1.00 0.00 O ATOM 329 CB ASN A 25 -2.042 -8.585 -3.211 1.00 0.00 C ATOM 330 CG ASN A 25 -2.802 -9.604 -2.348 1.00 0.00 C ATOM 331 OD1 ASN A 25 -2.112 -10.389 -1.567 1.00 0.00 O flip ATOM 332 ND2 ASN A 25 -4.011 -9.705 -2.381 1.00 0.00 N flip ATOM 0 H ASN A 25 0.113 -10.243 -3.752 1.00 0.00 H new ATOM 0 HA ASN A 25 -2.519 -9.521 -5.080 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -1.166 -8.216 -2.678 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -2.673 -7.722 -3.422 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -4.557 -9.095 -2.989 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -4.481 -10.400 -1.801 1.00 0.00 H new ATOM 339 N ARG A 26 -1.293 -7.274 -5.892 1.00 0.00 N ATOM 340 CA ARG A 26 -0.483 -6.350 -6.754 1.00 0.00 C ATOM 341 C ARG A 26 -0.760 -4.864 -6.466 1.00 0.00 C ATOM 342 O ARG A 26 -0.392 -4.008 -7.248 1.00 0.00 O ATOM 343 CB ARG A 26 -0.783 -6.673 -8.255 1.00 0.00 C ATOM 344 CG ARG A 26 -2.304 -6.814 -8.507 1.00 0.00 C ATOM 345 CD ARG A 26 -2.713 -8.311 -8.424 1.00 0.00 C ATOM 346 NE ARG A 26 -4.204 -8.417 -8.452 1.00 0.00 N ATOM 347 CZ ARG A 26 -4.813 -8.801 -9.537 1.00 0.00 C ATOM 348 NH1 ARG A 26 -4.904 -7.955 -10.525 1.00 0.00 N ATOM 349 NH2 ARG A 26 -5.301 -10.009 -9.577 1.00 0.00 N ATOM 0 H ARG A 26 -2.262 -6.992 -5.746 1.00 0.00 H new ATOM 0 HA ARG A 26 0.570 -6.516 -6.525 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -0.379 -5.882 -8.887 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -0.278 -7.597 -8.538 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -2.860 -6.234 -7.770 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -2.559 -6.411 -9.487 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -2.282 -8.865 -9.258 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -2.322 -8.757 -7.509 1.00 0.00 H new ATOM 0 HE ARG A 26 -4.746 -8.188 -7.619 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -4.504 -7.021 -10.435 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -5.375 -8.227 -11.388 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -5.201 -10.626 -8.771 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -5.783 -10.337 -10.414 1.00 0.00 H new ATOM 363 N GLY A 27 -1.395 -4.610 -5.350 1.00 0.00 N ATOM 364 CA GLY A 27 -1.731 -3.211 -4.936 1.00 0.00 C ATOM 365 C GLY A 27 -1.091 -2.948 -3.574 1.00 0.00 C ATOM 366 O GLY A 27 -1.483 -3.564 -2.607 1.00 0.00 O ATOM 0 H GLY A 27 -1.702 -5.328 -4.694 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.362 -2.498 -5.673 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -2.812 -3.081 -4.879 1.00 0.00 H new ATOM 370 N GLY A 28 -0.135 -2.053 -3.536 1.00 0.00 N ATOM 371 CA GLY A 28 0.572 -1.707 -2.260 1.00 0.00 C ATOM 372 C GLY A 28 0.466 -0.222 -1.925 1.00 0.00 C ATOM 373 O GLY A 28 1.423 0.510 -2.094 1.00 0.00 O ATOM 0 H GLY A 28 0.193 -1.536 -4.352 1.00 0.00 H new ATOM 0 HA2 GLY A 28 0.150 -2.293 -1.443 1.00 0.00 H new ATOM 0 HA3 GLY A 28 1.623 -1.985 -2.342 1.00 0.00 H new ATOM 377 N TYR A 29 -0.691 0.177 -1.463 1.00 0.00 N ATOM 378 CA TYR A 29 -0.909 1.614 -1.104 1.00 0.00 C ATOM 379 C TYR A 29 -1.638 1.659 0.246 1.00 0.00 C ATOM 380 O TYR A 29 -1.923 0.619 0.802 1.00 0.00 O ATOM 381 CB TYR A 29 -1.733 2.262 -2.242 1.00 0.00 C ATOM 382 CG TYR A 29 -3.203 1.803 -2.240 1.00 0.00 C ATOM 383 CD1 TYR A 29 -3.619 0.648 -2.871 1.00 0.00 C ATOM 384 CD2 TYR A 29 -4.140 2.566 -1.579 1.00 0.00 C ATOM 385 CE1 TYR A 29 -4.948 0.277 -2.831 1.00 0.00 C ATOM 386 CE2 TYR A 29 -5.465 2.198 -1.539 1.00 0.00 C ATOM 387 CZ TYR A 29 -5.882 1.046 -2.164 1.00 0.00 C ATOM 388 OH TYR A 29 -7.209 0.665 -2.121 1.00 0.00 O ATOM 0 H TYR A 29 -1.497 -0.431 -1.318 1.00 0.00 H new ATOM 0 HA TYR A 29 0.024 2.168 -1.000 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -1.694 3.347 -2.142 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -1.279 2.014 -3.202 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -2.903 0.033 -3.397 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -3.828 3.472 -1.082 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -5.262 -0.628 -3.329 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -6.180 2.815 -1.015 1.00 0.00 H new ATOM 0 HH TYR A 29 -7.722 1.324 -1.608 1.00 0.00 H new ATOM 398 N CYS A 30 -1.926 2.832 0.754 1.00 0.00 N ATOM 399 CA CYS A 30 -2.637 2.938 2.065 1.00 0.00 C ATOM 400 C CYS A 30 -3.942 3.743 1.985 1.00 0.00 C ATOM 401 O CYS A 30 -4.317 4.281 0.961 1.00 0.00 O ATOM 402 CB CYS A 30 -1.647 3.567 3.074 1.00 0.00 C ATOM 403 SG CYS A 30 -0.656 4.983 2.546 1.00 0.00 S ATOM 0 H CYS A 30 -1.698 3.724 0.315 1.00 0.00 H new ATOM 0 HA CYS A 30 -2.944 1.943 2.385 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -2.217 3.871 3.952 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -0.960 2.784 3.396 1.00 0.00 H new ATOM 408 N ASN A 31 -4.594 3.787 3.114 1.00 0.00 N ATOM 409 CA ASN A 31 -5.897 4.511 3.272 1.00 0.00 C ATOM 410 C ASN A 31 -5.791 5.751 4.168 1.00 0.00 C ATOM 411 O ASN A 31 -4.803 5.946 4.847 1.00 0.00 O ATOM 412 CB ASN A 31 -6.915 3.533 3.876 1.00 0.00 C ATOM 413 CG ASN A 31 -6.320 2.930 5.158 1.00 0.00 C ATOM 414 OD1 ASN A 31 -5.817 3.623 6.022 1.00 0.00 O ATOM 415 ND2 ASN A 31 -6.361 1.637 5.305 1.00 0.00 N ATOM 0 H ASN A 31 -4.267 3.335 3.968 1.00 0.00 H new ATOM 0 HA ASN A 31 -6.208 4.862 2.288 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -7.848 4.050 4.100 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -7.151 2.744 3.162 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -5.972 1.206 6.144 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -6.782 1.055 4.581 1.00 0.00 H new ATOM 422 N GLY A 32 -6.844 6.533 4.112 1.00 0.00 N ATOM 423 CA GLY A 32 -6.972 7.797 4.905 1.00 0.00 C ATOM 424 C GLY A 32 -6.354 7.689 6.300 1.00 0.00 C ATOM 425 O GLY A 32 -5.386 8.367 6.585 1.00 0.00 O ATOM 0 H GLY A 32 -7.653 6.336 3.523 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -6.491 8.611 4.362 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -8.027 8.056 4.999 1.00 0.00 H new ATOM 429 N LYS A 33 -6.955 6.842 7.108 1.00 0.00 N ATOM 430 CA LYS A 33 -6.491 6.600 8.519 1.00 0.00 C ATOM 431 C LYS A 33 -4.964 6.658 8.600 1.00 0.00 C ATOM 432 O LYS A 33 -4.399 7.388 9.390 1.00 0.00 O ATOM 433 CB LYS A 33 -6.919 5.196 9.058 1.00 0.00 C ATOM 434 CG LYS A 33 -8.391 4.820 8.752 1.00 0.00 C ATOM 435 CD LYS A 33 -8.444 4.034 7.417 1.00 0.00 C ATOM 436 CE LYS A 33 -9.838 3.446 7.173 1.00 0.00 C ATOM 437 NZ LYS A 33 -10.867 4.524 7.161 1.00 0.00 N ATOM 0 H LYS A 33 -7.772 6.292 6.840 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.955 7.381 9.122 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.265 4.439 8.626 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -6.766 5.171 10.137 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -8.801 4.216 9.561 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -9.003 5.719 8.684 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -8.176 4.695 6.592 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -7.706 3.232 7.435 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -9.852 2.912 6.223 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -10.074 2.720 7.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -11.781 4.128 6.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -10.960 4.926 8.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -10.579 5.271 6.497 1.00 0.00 H new ATOM 451 N GLY A 34 -4.365 5.858 7.754 1.00 0.00 N ATOM 452 CA GLY A 34 -2.881 5.766 7.672 1.00 0.00 C ATOM 453 C GLY A 34 -2.452 4.321 7.909 1.00 0.00 C ATOM 454 O GLY A 34 -1.491 4.063 8.607 1.00 0.00 O ATOM 0 H GLY A 34 -4.859 5.250 7.101 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.538 6.104 6.694 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.423 6.420 8.414 1.00 0.00 H new ATOM 458 N VAL A 35 -3.192 3.422 7.316 1.00 0.00 N ATOM 459 CA VAL A 35 -2.903 1.955 7.436 1.00 0.00 C ATOM 460 C VAL A 35 -2.760 1.448 5.988 1.00 0.00 C ATOM 461 O VAL A 35 -3.260 2.088 5.083 1.00 0.00 O ATOM 462 CB VAL A 35 -4.094 1.275 8.171 1.00 0.00 C ATOM 463 CG1 VAL A 35 -3.808 -0.227 8.412 1.00 0.00 C ATOM 464 CG2 VAL A 35 -4.354 1.970 9.529 1.00 0.00 C ATOM 0 H VAL A 35 -4.004 3.644 6.740 1.00 0.00 H new ATOM 0 HA VAL A 35 -2.001 1.734 8.007 1.00 0.00 H new ATOM 0 HB VAL A 35 -4.976 1.370 7.538 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.655 -0.681 8.927 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.655 -0.726 7.455 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.912 -0.333 9.024 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -5.190 1.484 10.032 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.463 1.896 10.152 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -4.593 3.020 9.360 1.00 0.00 H new ATOM 474 N CYS A 36 -2.109 0.327 5.794 1.00 0.00 N ATOM 475 CA CYS A 36 -1.927 -0.222 4.405 1.00 0.00 C ATOM 476 C CYS A 36 -3.128 -1.051 3.922 1.00 0.00 C ATOM 477 O CYS A 36 -3.844 -1.637 4.711 1.00 0.00 O ATOM 478 CB CYS A 36 -0.689 -1.137 4.355 1.00 0.00 C ATOM 479 SG CYS A 36 0.986 -0.499 4.603 1.00 0.00 S ATOM 0 H CYS A 36 -1.693 -0.236 6.536 1.00 0.00 H new ATOM 0 HA CYS A 36 -1.816 0.645 3.754 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -0.843 -1.915 5.103 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -0.698 -1.625 3.381 1.00 0.00 H new ATOM 484 N VAL A 37 -3.297 -1.058 2.623 1.00 0.00 N ATOM 485 CA VAL A 37 -4.398 -1.807 1.953 1.00 0.00 C ATOM 486 C VAL A 37 -3.759 -2.576 0.781 1.00 0.00 C ATOM 487 O VAL A 37 -2.895 -2.045 0.106 1.00 0.00 O ATOM 488 CB VAL A 37 -5.459 -0.810 1.411 1.00 0.00 C ATOM 489 CG1 VAL A 37 -6.660 -1.578 0.800 1.00 0.00 C ATOM 490 CG2 VAL A 37 -5.962 0.106 2.547 1.00 0.00 C ATOM 0 H VAL A 37 -2.690 -0.553 1.977 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.893 -2.486 2.648 1.00 0.00 H new ATOM 0 HB VAL A 37 -4.992 -0.201 0.637 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -7.395 -0.865 0.425 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -6.311 -2.206 -0.020 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -7.119 -2.203 1.565 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -6.705 0.800 2.153 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -6.413 -0.502 3.332 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -5.124 0.668 2.959 1.00 0.00 H new ATOM 500 N CYS A 38 -4.208 -3.789 0.575 1.00 0.00 N ATOM 501 CA CYS A 38 -3.661 -4.622 -0.538 1.00 0.00 C ATOM 502 C CYS A 38 -4.784 -4.790 -1.565 1.00 0.00 C ATOM 503 O CYS A 38 -5.885 -5.157 -1.199 1.00 0.00 O ATOM 504 CB CYS A 38 -3.220 -5.997 0.001 1.00 0.00 C ATOM 505 SG CYS A 38 -1.844 -6.040 1.176 1.00 0.00 S ATOM 0 H CYS A 38 -4.933 -4.239 1.133 1.00 0.00 H new ATOM 0 HA CYS A 38 -2.791 -4.147 -0.991 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -4.083 -6.462 0.478 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -2.952 -6.621 -0.852 1.00 0.00 H new ATOM 510 N ARG A 39 -4.480 -4.515 -2.811 1.00 0.00 N ATOM 511 CA ARG A 39 -5.505 -4.641 -3.903 1.00 0.00 C ATOM 512 C ARG A 39 -5.049 -5.314 -5.213 1.00 0.00 C ATOM 513 O ARG A 39 -3.995 -5.915 -5.303 1.00 0.00 O ATOM 514 CB ARG A 39 -6.043 -3.211 -4.200 1.00 0.00 C ATOM 515 CG ARG A 39 -7.082 -2.812 -3.131 1.00 0.00 C ATOM 516 CD ARG A 39 -8.010 -1.721 -3.699 1.00 0.00 C ATOM 517 NE ARG A 39 -8.682 -2.277 -4.916 1.00 0.00 N ATOM 518 CZ ARG A 39 -9.958 -2.530 -4.905 1.00 0.00 C ATOM 519 NH1 ARG A 39 -10.378 -3.518 -4.166 1.00 0.00 N ATOM 520 NH2 ARG A 39 -10.750 -1.789 -5.626 1.00 0.00 N ATOM 0 H ARG A 39 -3.559 -4.206 -3.123 1.00 0.00 H new ATOM 0 HA ARG A 39 -6.267 -5.323 -3.525 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -5.220 -2.496 -4.205 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -6.497 -3.182 -5.191 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -7.666 -3.683 -2.833 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -6.577 -2.446 -2.237 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -8.750 -1.425 -2.956 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -7.439 -0.828 -3.953 1.00 0.00 H new ATOM 0 HE ARG A 39 -8.136 -2.458 -5.758 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -9.713 -4.065 -3.620 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -11.372 -3.744 -4.134 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -10.367 -1.027 -6.185 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -11.754 -1.971 -5.631 1.00 0.00 H new ATOM 534 N ASN A 40 -5.919 -5.168 -6.185 1.00 0.00 N ATOM 535 CA ASN A 40 -5.736 -5.712 -7.561 1.00 0.00 C ATOM 536 C ASN A 40 -5.466 -4.566 -8.540 1.00 0.00 C ATOM 537 O ASN A 40 -4.627 -4.790 -9.399 1.00 0.00 O ATOM 538 CB ASN A 40 -7.003 -6.445 -8.016 1.00 0.00 C ATOM 539 CG ASN A 40 -7.344 -7.559 -7.026 1.00 0.00 C ATOM 540 OD1 ASN A 40 -6.526 -8.412 -6.750 1.00 0.00 O ATOM 541 ND2 ASN A 40 -8.524 -7.596 -6.472 1.00 0.00 N ATOM 542 OXT ASN A 40 -6.118 -3.543 -8.378 1.00 0.00 O ATOM 0 H ASN A 40 -6.797 -4.663 -6.066 1.00 0.00 H new ATOM 0 HA ASN A 40 -4.894 -6.404 -7.547 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -7.834 -5.743 -8.087 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -6.854 -6.864 -9.011 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -8.754 -8.338 -5.812 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -9.217 -6.882 -6.699 1.00 0.00 H new