USER MOD reduce.3.24.130724 H: found=0, std=0, add=514, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 512 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.00309 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ -120:sc= 0.406 (180deg=-0.204) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0.257 X(o=0.26,f=0) USER MOD Single : A 19 GLN : amide:sc= -0.0128 X(o=-0.013,f=-0.31) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 172:sc= 1.25 (180deg=0.779) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -0.654 X(o=-0.65,f=-0.25) USER MOD Single : A 37 SER OG : rot 180:sc=0.000545 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0.0544 USER MOD Single : A 45 ASN : amide:sc= -2.86! C(o=-2.9!,f=-6.5!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN :FLIP amide:sc= 0 F(o=-0.62,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0443) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot -107:sc= 0.386 USER MOD Single : A 56 ASN :FLIP amide:sc= -0.0902 F(o=-1.6!,f=-0.09) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -144:sc= -0.164 (180deg=-0.601) USER MOD Single : A 62 ASN : amide:sc= -0.0101 X(o=-0.01,f=-0.11) USER MOD Single : A 63 SER OG : rot 48:sc= 0.308 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.570 -19.893 -13.356 1.00 0.00 N ATOM 2 CA GLY A 1 9.809 -20.235 -12.619 1.00 0.00 C ATOM 3 C GLY A 1 9.997 -19.363 -11.399 1.00 0.00 C ATOM 4 O GLY A 1 10.130 -19.866 -10.283 1.00 0.00 O ATOM 0 H1 GLY A 1 8.477 -20.513 -14.186 1.00 0.00 H new ATOM 0 H2 GLY A 1 7.748 -20.024 -12.732 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.614 -18.902 -13.668 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.774 -21.281 -12.316 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.668 -20.124 -13.281 1.00 0.00 H new ATOM 8 N SER A 2 10.003 -18.056 -11.607 1.00 0.00 N ATOM 9 CA SER A 2 10.130 -17.116 -10.513 1.00 0.00 C ATOM 10 C SER A 2 8.767 -16.859 -9.881 1.00 0.00 C ATOM 11 O SER A 2 7.735 -16.946 -10.552 1.00 0.00 O ATOM 12 CB SER A 2 10.748 -15.807 -11.015 1.00 0.00 C ATOM 13 OG SER A 2 10.030 -15.291 -12.128 1.00 0.00 O ATOM 0 H SER A 2 9.921 -17.624 -12.528 1.00 0.00 H new ATOM 0 HA SER A 2 10.787 -17.540 -9.754 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.753 -15.072 -10.210 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.787 -15.977 -11.297 1.00 0.00 H new ATOM 0 HG SER A 2 10.445 -14.455 -12.426 1.00 0.00 H new ATOM 19 N MET A 3 8.763 -16.557 -8.594 1.00 0.00 N ATOM 20 CA MET A 3 7.526 -16.271 -7.888 1.00 0.00 C ATOM 21 C MET A 3 7.129 -14.815 -8.106 1.00 0.00 C ATOM 22 O MET A 3 6.177 -14.524 -8.831 1.00 0.00 O ATOM 23 CB MET A 3 7.681 -16.569 -6.393 1.00 0.00 C ATOM 24 CG MET A 3 6.433 -16.277 -5.575 1.00 0.00 C ATOM 25 SD MET A 3 5.004 -17.230 -6.114 1.00 0.00 S ATOM 26 CE MET A 3 3.777 -16.678 -4.929 1.00 0.00 C ATOM 0 H MET A 3 9.602 -16.504 -8.017 1.00 0.00 H new ATOM 0 HA MET A 3 6.738 -16.912 -8.283 1.00 0.00 H new ATOM 0 HB2 MET A 3 7.949 -17.618 -6.267 1.00 0.00 H new ATOM 0 HB3 MET A 3 8.508 -15.979 -5.999 1.00 0.00 H new ATOM 0 HG2 MET A 3 6.633 -16.494 -4.526 1.00 0.00 H new ATOM 0 HG3 MET A 3 6.201 -15.214 -5.642 1.00 0.00 H new ATOM 0 HE1 MET A 3 2.829 -17.178 -5.127 1.00 0.00 H new ATOM 0 HE2 MET A 3 4.111 -16.920 -3.920 1.00 0.00 H new ATOM 0 HE3 MET A 3 3.644 -15.600 -5.018 1.00 0.00 H new ATOM 36 N ALA A 4 7.880 -13.908 -7.494 1.00 0.00 N ATOM 37 CA ALA A 4 7.625 -12.484 -7.633 1.00 0.00 C ATOM 38 C ALA A 4 8.808 -11.671 -7.124 1.00 0.00 C ATOM 39 O ALA A 4 9.474 -10.975 -7.894 1.00 0.00 O ATOM 40 CB ALA A 4 6.353 -12.092 -6.887 1.00 0.00 C ATOM 0 H ALA A 4 8.673 -14.137 -6.895 1.00 0.00 H new ATOM 0 HA ALA A 4 7.488 -12.266 -8.692 1.00 0.00 H new ATOM 0 HB1 ALA A 4 6.178 -11.022 -7.002 1.00 0.00 H new ATOM 0 HB2 ALA A 4 5.507 -12.644 -7.296 1.00 0.00 H new ATOM 0 HB3 ALA A 4 6.464 -12.329 -5.829 1.00 0.00 H new ATOM 46 N GLU A 5 9.067 -11.784 -5.818 1.00 0.00 N ATOM 47 CA GLU A 5 10.096 -10.988 -5.149 1.00 0.00 C ATOM 48 C GLU A 5 9.890 -9.506 -5.416 1.00 0.00 C ATOM 49 O GLU A 5 10.843 -8.738 -5.563 1.00 0.00 O ATOM 50 CB GLU A 5 11.495 -11.435 -5.582 1.00 0.00 C ATOM 51 CG GLU A 5 11.876 -12.799 -5.038 1.00 0.00 C ATOM 52 CD GLU A 5 11.846 -12.847 -3.523 1.00 0.00 C ATOM 53 OE1 GLU A 5 10.754 -13.055 -2.950 1.00 0.00 O ATOM 54 OE2 GLU A 5 12.914 -12.671 -2.899 1.00 0.00 O ATOM 0 H GLU A 5 8.572 -12.426 -5.199 1.00 0.00 H new ATOM 0 HA GLU A 5 10.008 -11.151 -4.075 1.00 0.00 H new ATOM 0 HB2 GLU A 5 11.542 -11.458 -6.671 1.00 0.00 H new ATOM 0 HB3 GLU A 5 12.226 -10.699 -5.247 1.00 0.00 H new ATOM 0 HG2 GLU A 5 11.193 -13.549 -5.436 1.00 0.00 H new ATOM 0 HG3 GLU A 5 12.875 -13.060 -5.387 1.00 0.00 H new ATOM 61 N GLU A 6 8.626 -9.119 -5.452 1.00 0.00 N ATOM 62 CA GLU A 6 8.252 -7.736 -5.671 1.00 0.00 C ATOM 63 C GLU A 6 8.503 -6.946 -4.392 1.00 0.00 C ATOM 64 O GLU A 6 8.433 -7.504 -3.295 1.00 0.00 O ATOM 65 CB GLU A 6 6.780 -7.653 -6.085 1.00 0.00 C ATOM 66 CG GLU A 6 6.367 -6.293 -6.622 1.00 0.00 C ATOM 67 CD GLU A 6 7.221 -5.854 -7.793 1.00 0.00 C ATOM 68 OE1 GLU A 6 6.992 -6.340 -8.925 1.00 0.00 O ATOM 69 OE2 GLU A 6 8.132 -5.028 -7.589 1.00 0.00 O ATOM 0 H GLU A 6 7.836 -9.752 -5.331 1.00 0.00 H new ATOM 0 HA GLU A 6 8.853 -7.310 -6.474 1.00 0.00 H new ATOM 0 HB2 GLU A 6 6.584 -8.408 -6.846 1.00 0.00 H new ATOM 0 HB3 GLU A 6 6.157 -7.898 -5.225 1.00 0.00 H new ATOM 0 HG2 GLU A 6 5.322 -6.329 -6.930 1.00 0.00 H new ATOM 0 HG3 GLU A 6 6.439 -5.553 -5.825 1.00 0.00 H new ATOM 76 N VAL A 7 8.809 -5.666 -4.532 1.00 0.00 N ATOM 77 CA VAL A 7 9.126 -4.829 -3.383 1.00 0.00 C ATOM 78 C VAL A 7 7.895 -4.621 -2.502 1.00 0.00 C ATOM 79 O VAL A 7 7.024 -3.804 -2.812 1.00 0.00 O ATOM 80 CB VAL A 7 9.691 -3.459 -3.819 1.00 0.00 C ATOM 81 CG1 VAL A 7 10.091 -2.624 -2.608 1.00 0.00 C ATOM 82 CG2 VAL A 7 10.874 -3.647 -4.758 1.00 0.00 C ATOM 0 H VAL A 7 8.845 -5.183 -5.430 1.00 0.00 H new ATOM 0 HA VAL A 7 9.891 -5.351 -2.808 1.00 0.00 H new ATOM 0 HB VAL A 7 8.908 -2.921 -4.353 1.00 0.00 H new ATOM 0 HG11 VAL A 7 10.486 -1.664 -2.942 1.00 0.00 H new ATOM 0 HG12 VAL A 7 9.218 -2.457 -1.977 1.00 0.00 H new ATOM 0 HG13 VAL A 7 10.856 -3.152 -2.038 1.00 0.00 H new ATOM 0 HG21 VAL A 7 11.260 -2.672 -5.056 1.00 0.00 H new ATOM 0 HG22 VAL A 7 11.658 -4.208 -4.248 1.00 0.00 H new ATOM 0 HG23 VAL A 7 10.552 -4.196 -5.643 1.00 0.00 H new ATOM 92 N VAL A 8 7.812 -5.384 -1.420 1.00 0.00 N ATOM 93 CA VAL A 8 6.704 -5.248 -0.491 1.00 0.00 C ATOM 94 C VAL A 8 7.024 -4.230 0.583 1.00 0.00 C ATOM 95 O VAL A 8 8.110 -4.220 1.164 1.00 0.00 O ATOM 96 CB VAL A 8 6.307 -6.589 0.166 1.00 0.00 C ATOM 97 CG1 VAL A 8 5.233 -6.381 1.223 1.00 0.00 C ATOM 98 CG2 VAL A 8 5.820 -7.554 -0.892 1.00 0.00 C ATOM 0 H VAL A 8 8.495 -6.098 -1.167 1.00 0.00 H new ATOM 0 HA VAL A 8 5.852 -4.905 -1.078 1.00 0.00 H new ATOM 0 HB VAL A 8 7.186 -7.007 0.656 1.00 0.00 H new ATOM 0 HG11 VAL A 8 4.972 -7.340 1.670 1.00 0.00 H new ATOM 0 HG12 VAL A 8 5.608 -5.711 1.996 1.00 0.00 H new ATOM 0 HG13 VAL A 8 4.348 -5.943 0.761 1.00 0.00 H new ATOM 0 HG21 VAL A 8 5.541 -8.498 -0.423 1.00 0.00 H new ATOM 0 HG22 VAL A 8 4.953 -7.131 -1.399 1.00 0.00 H new ATOM 0 HG23 VAL A 8 6.614 -7.730 -1.617 1.00 0.00 H new ATOM 108 N VAL A 9 6.060 -3.378 0.825 1.00 0.00 N ATOM 109 CA VAL A 9 6.164 -2.340 1.816 1.00 0.00 C ATOM 110 C VAL A 9 5.120 -2.576 2.894 1.00 0.00 C ATOM 111 O VAL A 9 4.330 -3.515 2.800 1.00 0.00 O ATOM 112 CB VAL A 9 5.955 -0.968 1.170 1.00 0.00 C ATOM 113 CG1 VAL A 9 7.171 -0.595 0.335 1.00 0.00 C ATOM 114 CG2 VAL A 9 4.700 -0.998 0.314 1.00 0.00 C ATOM 0 H VAL A 9 5.168 -3.387 0.331 1.00 0.00 H new ATOM 0 HA VAL A 9 7.159 -2.362 2.261 1.00 0.00 H new ATOM 0 HB VAL A 9 5.831 -0.213 1.947 1.00 0.00 H new ATOM 0 HG11 VAL A 9 7.013 0.383 -0.121 1.00 0.00 H new ATOM 0 HG12 VAL A 9 8.054 -0.560 0.973 1.00 0.00 H new ATOM 0 HG13 VAL A 9 7.318 -1.340 -0.447 1.00 0.00 H new ATOM 0 HG21 VAL A 9 4.550 -0.021 -0.146 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.808 -1.753 -0.464 1.00 0.00 H new ATOM 0 HG23 VAL A 9 3.840 -1.241 0.938 1.00 0.00 H new ATOM 124 N VAL A 10 5.100 -1.738 3.908 1.00 0.00 N ATOM 125 CA VAL A 10 4.155 -1.917 4.993 1.00 0.00 C ATOM 126 C VAL A 10 3.605 -0.573 5.454 1.00 0.00 C ATOM 127 O VAL A 10 4.320 0.428 5.503 1.00 0.00 O ATOM 128 CB VAL A 10 4.802 -2.670 6.182 1.00 0.00 C ATOM 129 CG1 VAL A 10 5.981 -1.895 6.749 1.00 0.00 C ATOM 130 CG2 VAL A 10 3.779 -2.967 7.272 1.00 0.00 C ATOM 0 H VAL A 10 5.720 -0.934 4.006 1.00 0.00 H new ATOM 0 HA VAL A 10 3.330 -2.522 4.618 1.00 0.00 H new ATOM 0 HB VAL A 10 5.174 -3.621 5.801 1.00 0.00 H new ATOM 0 HG11 VAL A 10 6.414 -2.449 7.582 1.00 0.00 H new ATOM 0 HG12 VAL A 10 6.734 -1.759 5.973 1.00 0.00 H new ATOM 0 HG13 VAL A 10 5.641 -0.920 7.099 1.00 0.00 H new ATOM 0 HG21 VAL A 10 4.264 -3.496 8.092 1.00 0.00 H new ATOM 0 HG22 VAL A 10 3.359 -2.031 7.642 1.00 0.00 H new ATOM 0 HG23 VAL A 10 2.981 -3.586 6.863 1.00 0.00 H new ATOM 140 N ALA A 11 2.327 -0.555 5.759 1.00 0.00 N ATOM 141 CA ALA A 11 1.666 0.636 6.240 1.00 0.00 C ATOM 142 C ALA A 11 1.698 0.673 7.756 1.00 0.00 C ATOM 143 O ALA A 11 1.645 -0.371 8.397 1.00 0.00 O ATOM 144 CB ALA A 11 0.238 0.654 5.743 1.00 0.00 C ATOM 0 H ALA A 11 1.716 -1.368 5.680 1.00 0.00 H new ATOM 0 HA ALA A 11 2.186 1.516 5.863 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -0.262 1.552 6.105 1.00 0.00 H new ATOM 0 HB2 ALA A 11 0.232 0.650 4.653 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -0.287 -0.227 6.112 1.00 0.00 H new ATOM 150 N LYS A 12 1.801 1.856 8.335 1.00 0.00 N ATOM 151 CA LYS A 12 1.810 1.963 9.785 1.00 0.00 C ATOM 152 C LYS A 12 0.544 2.632 10.295 1.00 0.00 C ATOM 153 O LYS A 12 0.264 2.598 11.493 1.00 0.00 O ATOM 154 CB LYS A 12 3.049 2.709 10.279 1.00 0.00 C ATOM 155 CG LYS A 12 4.354 2.027 9.899 1.00 0.00 C ATOM 156 CD LYS A 12 5.522 2.550 10.718 1.00 0.00 C ATOM 157 CE LYS A 12 6.842 1.968 10.238 1.00 0.00 C ATOM 158 NZ LYS A 12 7.201 2.466 8.885 1.00 0.00 N ATOM 0 H LYS A 12 1.878 2.742 7.835 1.00 0.00 H new ATOM 0 HA LYS A 12 1.844 0.950 10.186 1.00 0.00 H new ATOM 0 HB2 LYS A 12 3.043 3.719 9.870 1.00 0.00 H new ATOM 0 HB3 LYS A 12 2.999 2.804 11.364 1.00 0.00 H new ATOM 0 HG2 LYS A 12 4.259 0.951 10.047 1.00 0.00 H new ATOM 0 HG3 LYS A 12 4.553 2.187 8.839 1.00 0.00 H new ATOM 0 HD2 LYS A 12 5.557 3.637 10.652 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.373 2.299 11.768 1.00 0.00 H new ATOM 0 HE2 LYS A 12 7.632 2.227 10.943 1.00 0.00 H new ATOM 0 HE3 LYS A 12 6.775 0.880 10.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.281 1.663 8.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 6.463 3.117 8.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 8.111 2.968 8.930 1.00 0.00 H new ATOM 172 N PHE A 13 -0.224 3.240 9.397 1.00 0.00 N ATOM 173 CA PHE A 13 -1.508 3.807 9.786 1.00 0.00 C ATOM 174 C PHE A 13 -2.604 3.442 8.797 1.00 0.00 C ATOM 175 O PHE A 13 -2.367 3.320 7.598 1.00 0.00 O ATOM 176 CB PHE A 13 -1.425 5.328 9.941 1.00 0.00 C ATOM 177 CG PHE A 13 -0.589 5.775 11.104 1.00 0.00 C ATOM 178 CD1 PHE A 13 -1.076 5.681 12.399 1.00 0.00 C ATOM 179 CD2 PHE A 13 0.681 6.292 10.903 1.00 0.00 C ATOM 180 CE1 PHE A 13 -0.311 6.095 13.471 1.00 0.00 C ATOM 181 CE2 PHE A 13 1.450 6.706 11.974 1.00 0.00 C ATOM 182 CZ PHE A 13 0.954 6.608 13.259 1.00 0.00 C ATOM 0 H PHE A 13 0.015 3.351 8.412 1.00 0.00 H new ATOM 0 HA PHE A 13 -1.763 3.375 10.754 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -1.015 5.755 9.026 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -2.433 5.727 10.055 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -2.064 5.280 12.571 1.00 0.00 H new ATOM 0 HD2 PHE A 13 1.073 6.372 9.900 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -0.701 6.018 14.475 1.00 0.00 H new ATOM 0 HE2 PHE A 13 2.439 7.106 11.806 1.00 0.00 H new ATOM 0 HZ PHE A 13 1.554 6.932 14.097 1.00 0.00 H new ATOM 192 N ASP A 14 -3.801 3.256 9.331 1.00 0.00 N ATOM 193 CA ASP A 14 -4.973 2.880 8.545 1.00 0.00 C ATOM 194 C ASP A 14 -5.330 3.923 7.490 1.00 0.00 C ATOM 195 O ASP A 14 -5.431 5.114 7.788 1.00 0.00 O ATOM 196 CB ASP A 14 -6.188 2.701 9.454 1.00 0.00 C ATOM 197 CG ASP A 14 -5.955 1.724 10.580 1.00 0.00 C ATOM 198 OD1 ASP A 14 -5.892 0.510 10.314 1.00 0.00 O ATOM 199 OD2 ASP A 14 -5.834 2.171 11.741 1.00 0.00 O ATOM 0 H ASP A 14 -3.991 3.362 10.328 1.00 0.00 H new ATOM 0 HA ASP A 14 -4.716 1.946 8.044 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -6.464 3.668 9.874 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -7.033 2.360 8.856 1.00 0.00 H new ATOM 204 N TYR A 15 -5.533 3.462 6.261 1.00 0.00 N ATOM 205 CA TYR A 15 -6.110 4.288 5.210 1.00 0.00 C ATOM 206 C TYR A 15 -7.156 3.488 4.441 1.00 0.00 C ATOM 207 O TYR A 15 -6.829 2.532 3.736 1.00 0.00 O ATOM 208 CB TYR A 15 -5.038 4.817 4.249 1.00 0.00 C ATOM 209 CG TYR A 15 -5.621 5.424 2.992 1.00 0.00 C ATOM 210 CD1 TYR A 15 -6.246 6.662 3.020 1.00 0.00 C ATOM 211 CD2 TYR A 15 -5.570 4.741 1.784 1.00 0.00 C ATOM 212 CE1 TYR A 15 -6.799 7.208 1.877 1.00 0.00 C ATOM 213 CE2 TYR A 15 -6.121 5.277 0.636 1.00 0.00 C ATOM 214 CZ TYR A 15 -6.734 6.511 0.688 1.00 0.00 C ATOM 215 OH TYR A 15 -7.282 7.054 -0.450 1.00 0.00 O ATOM 0 H TYR A 15 -5.304 2.512 5.968 1.00 0.00 H new ATOM 0 HA TYR A 15 -6.582 5.150 5.682 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -4.435 5.566 4.762 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -4.368 4.002 3.976 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -6.301 7.208 3.950 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -5.091 3.774 1.741 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -7.279 8.175 1.914 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -6.072 4.733 -0.296 1.00 0.00 H new ATOM 0 HH TYR A 15 -7.152 6.439 -1.202 1.00 0.00 H new ATOM 225 N VAL A 16 -8.410 3.874 4.582 1.00 0.00 N ATOM 226 CA VAL A 16 -9.488 3.192 3.888 1.00 0.00 C ATOM 227 C VAL A 16 -9.805 3.916 2.587 1.00 0.00 C ATOM 228 O VAL A 16 -9.963 5.135 2.569 1.00 0.00 O ATOM 229 CB VAL A 16 -10.760 3.117 4.760 1.00 0.00 C ATOM 230 CG1 VAL A 16 -11.853 2.326 4.058 1.00 0.00 C ATOM 231 CG2 VAL A 16 -10.443 2.509 6.120 1.00 0.00 C ATOM 0 H VAL A 16 -8.708 4.654 5.169 1.00 0.00 H new ATOM 0 HA VAL A 16 -9.159 2.175 3.675 1.00 0.00 H new ATOM 0 HB VAL A 16 -11.125 4.132 4.916 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -12.739 2.287 4.692 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -12.103 2.810 3.114 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -11.501 1.313 3.864 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -11.352 2.465 6.720 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -10.048 1.502 5.985 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -9.702 3.124 6.630 1.00 0.00 H new ATOM 241 N ALA A 17 -9.886 3.160 1.503 1.00 0.00 N ATOM 242 CA ALA A 17 -10.198 3.720 0.200 1.00 0.00 C ATOM 243 C ALA A 17 -11.707 3.782 0.013 1.00 0.00 C ATOM 244 O ALA A 17 -12.463 3.313 0.867 1.00 0.00 O ATOM 245 CB ALA A 17 -9.567 2.880 -0.900 1.00 0.00 C ATOM 0 H ALA A 17 -9.739 2.151 1.502 1.00 0.00 H new ATOM 0 HA ALA A 17 -9.791 4.729 0.142 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -9.809 3.311 -1.871 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -8.485 2.863 -0.770 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -9.954 1.862 -0.848 1.00 0.00 H new ATOM 251 N GLN A 18 -12.154 4.352 -1.092 1.00 0.00 N ATOM 252 CA GLN A 18 -13.575 4.432 -1.363 1.00 0.00 C ATOM 253 C GLN A 18 -13.949 3.491 -2.496 1.00 0.00 C ATOM 254 O GLN A 18 -14.789 2.604 -2.333 1.00 0.00 O ATOM 255 CB GLN A 18 -13.970 5.857 -1.717 1.00 0.00 C ATOM 256 CG GLN A 18 -13.588 6.856 -0.646 1.00 0.00 C ATOM 257 CD GLN A 18 -13.227 8.188 -1.242 1.00 0.00 C ATOM 258 OE1 GLN A 18 -14.050 9.099 -1.324 1.00 0.00 O ATOM 259 NE2 GLN A 18 -12.004 8.281 -1.715 1.00 0.00 N ATOM 0 H GLN A 18 -11.557 4.763 -1.810 1.00 0.00 H new ATOM 0 HA GLN A 18 -14.114 4.134 -0.464 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -13.494 6.138 -2.656 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -15.047 5.901 -1.880 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -14.417 6.980 0.050 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -12.745 6.472 -0.072 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -11.360 7.496 -1.621 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -11.699 9.138 -2.176 1.00 0.00 H new ATOM 268 N GLN A 19 -13.302 3.678 -3.636 1.00 0.00 N ATOM 269 CA GLN A 19 -13.565 2.863 -4.810 1.00 0.00 C ATOM 270 C GLN A 19 -12.443 1.847 -5.009 1.00 0.00 C ATOM 271 O GLN A 19 -11.343 2.023 -4.486 1.00 0.00 O ATOM 272 CB GLN A 19 -13.683 3.745 -6.054 1.00 0.00 C ATOM 273 CG GLN A 19 -14.709 4.865 -5.940 1.00 0.00 C ATOM 274 CD GLN A 19 -16.109 4.366 -5.620 1.00 0.00 C ATOM 275 OE1 GLN A 19 -16.506 4.288 -4.458 1.00 0.00 O ATOM 276 NE2 GLN A 19 -16.861 4.026 -6.652 1.00 0.00 N ATOM 0 H GLN A 19 -12.587 4.392 -3.772 1.00 0.00 H new ATOM 0 HA GLN A 19 -14.506 2.334 -4.658 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -12.708 4.183 -6.267 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -13.943 3.117 -6.906 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -14.392 5.561 -5.163 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -14.734 5.422 -6.876 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -16.493 4.106 -7.600 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -17.810 3.683 -6.501 1.00 0.00 H new ATOM 285 N GLU A 20 -12.720 0.792 -5.775 1.00 0.00 N ATOM 286 CA GLU A 20 -11.723 -0.244 -6.061 1.00 0.00 C ATOM 287 C GLU A 20 -10.636 0.265 -7.013 1.00 0.00 C ATOM 288 O GLU A 20 -9.688 -0.456 -7.332 1.00 0.00 O ATOM 289 CB GLU A 20 -12.391 -1.482 -6.658 1.00 0.00 C ATOM 290 CG GLU A 20 -13.303 -2.215 -5.691 1.00 0.00 C ATOM 291 CD GLU A 20 -14.025 -3.377 -6.341 1.00 0.00 C ATOM 292 OE1 GLU A 20 -13.350 -4.305 -6.836 1.00 0.00 O ATOM 293 OE2 GLU A 20 -15.272 -3.359 -6.382 1.00 0.00 O ATOM 0 H GLU A 20 -13.628 0.631 -6.210 1.00 0.00 H new ATOM 0 HA GLU A 20 -11.251 -0.509 -5.115 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -12.969 -1.185 -7.533 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -11.618 -2.168 -7.005 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -12.715 -2.582 -4.850 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -14.036 -1.516 -5.287 1.00 0.00 H new ATOM 300 N GLN A 21 -10.805 1.489 -7.500 1.00 0.00 N ATOM 301 CA GLN A 21 -9.785 2.141 -8.315 1.00 0.00 C ATOM 302 C GLN A 21 -8.647 2.625 -7.428 1.00 0.00 C ATOM 303 O GLN A 21 -7.535 2.872 -7.891 1.00 0.00 O ATOM 304 CB GLN A 21 -10.380 3.331 -9.065 1.00 0.00 C ATOM 305 CG GLN A 21 -10.925 4.410 -8.142 1.00 0.00 C ATOM 306 CD GLN A 21 -11.488 5.592 -8.900 1.00 0.00 C ATOM 307 OE1 GLN A 21 -10.784 6.564 -9.180 1.00 0.00 O ATOM 308 NE2 GLN A 21 -12.761 5.512 -9.244 1.00 0.00 N ATOM 0 H GLN A 21 -11.641 2.052 -7.344 1.00 0.00 H new ATOM 0 HA GLN A 21 -9.406 1.418 -9.038 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -9.615 3.765 -9.709 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -11.181 2.979 -9.714 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -11.704 3.983 -7.510 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -10.130 4.753 -7.480 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -13.307 4.688 -8.991 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -13.198 6.274 -9.762 1.00 0.00 H new ATOM 317 N GLU A 22 -8.959 2.774 -6.152 1.00 0.00 N ATOM 318 CA GLU A 22 -7.996 3.210 -5.163 1.00 0.00 C ATOM 319 C GLU A 22 -7.332 1.996 -4.530 1.00 0.00 C ATOM 320 O GLU A 22 -7.638 0.856 -4.880 1.00 0.00 O ATOM 321 CB GLU A 22 -8.697 4.026 -4.082 1.00 0.00 C ATOM 322 CG GLU A 22 -9.274 5.349 -4.552 1.00 0.00 C ATOM 323 CD GLU A 22 -10.162 5.977 -3.498 1.00 0.00 C ATOM 324 OE1 GLU A 22 -11.353 5.611 -3.436 1.00 0.00 O ATOM 325 OE2 GLU A 22 -9.672 6.817 -2.713 1.00 0.00 O ATOM 0 H GLU A 22 -9.890 2.595 -5.775 1.00 0.00 H new ATOM 0 HA GLU A 22 -7.241 3.829 -5.648 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -9.502 3.425 -3.659 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -7.988 4.221 -3.277 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -8.462 6.033 -4.799 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -9.848 5.192 -5.465 1.00 0.00 H new ATOM 332 N LEU A 23 -6.430 2.236 -3.595 1.00 0.00 N ATOM 333 CA LEU A 23 -5.825 1.151 -2.855 1.00 0.00 C ATOM 334 C LEU A 23 -6.245 1.268 -1.394 1.00 0.00 C ATOM 335 O LEU A 23 -6.103 2.331 -0.792 1.00 0.00 O ATOM 336 CB LEU A 23 -4.297 1.216 -2.981 1.00 0.00 C ATOM 337 CG LEU A 23 -3.567 -0.127 -2.855 1.00 0.00 C ATOM 338 CD1 LEU A 23 -3.540 -0.609 -1.417 1.00 0.00 C ATOM 339 CD2 LEU A 23 -4.226 -1.166 -3.739 1.00 0.00 C ATOM 0 H LEU A 23 -6.104 3.167 -3.334 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.157 0.194 -3.256 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.048 1.656 -3.947 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.915 1.891 -2.215 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.537 0.021 -3.181 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.016 -1.563 -1.363 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.024 0.124 -0.797 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.561 -0.735 -1.056 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.699 -2.115 -3.641 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.265 -1.295 -3.436 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.189 -0.836 -4.777 1.00 0.00 H new ATOM 351 N ASP A 24 -6.765 0.197 -0.819 1.00 0.00 N ATOM 352 CA ASP A 24 -7.149 0.236 0.581 1.00 0.00 C ATOM 353 C ASP A 24 -6.073 -0.433 1.422 1.00 0.00 C ATOM 354 O ASP A 24 -5.574 -1.511 1.085 1.00 0.00 O ATOM 355 CB ASP A 24 -8.521 -0.419 0.813 1.00 0.00 C ATOM 356 CG ASP A 24 -8.449 -1.913 1.053 1.00 0.00 C ATOM 357 OD1 ASP A 24 -8.369 -2.677 0.071 1.00 0.00 O ATOM 358 OD2 ASP A 24 -8.478 -2.329 2.235 1.00 0.00 O ATOM 0 H ASP A 24 -6.929 -0.694 -1.289 1.00 0.00 H new ATOM 0 HA ASP A 24 -7.242 1.279 0.885 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.000 0.055 1.670 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -9.156 -0.229 -0.053 1.00 0.00 H new ATOM 363 N ILE A 25 -5.679 0.227 2.494 1.00 0.00 N ATOM 364 CA ILE A 25 -4.622 -0.285 3.342 1.00 0.00 C ATOM 365 C ILE A 25 -5.065 -0.266 4.801 1.00 0.00 C ATOM 366 O ILE A 25 -6.159 0.196 5.120 1.00 0.00 O ATOM 367 CB ILE A 25 -3.306 0.516 3.171 1.00 0.00 C ATOM 368 CG1 ILE A 25 -3.433 1.928 3.729 1.00 0.00 C ATOM 369 CG2 ILE A 25 -2.918 0.590 1.703 1.00 0.00 C ATOM 370 CD1 ILE A 25 -2.319 2.290 4.672 1.00 0.00 C ATOM 0 H ILE A 25 -6.074 1.117 2.797 1.00 0.00 H new ATOM 0 HA ILE A 25 -4.423 -1.313 3.038 1.00 0.00 H new ATOM 0 HB ILE A 25 -2.531 -0.009 3.730 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -3.448 2.639 2.903 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -4.387 2.023 4.248 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -1.992 1.156 1.599 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.773 -0.418 1.314 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.710 1.085 1.142 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.466 3.307 5.035 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.318 1.600 5.516 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.365 2.226 4.149 1.00 0.00 H new ATOM 382 N LYS A 26 -4.225 -0.771 5.682 1.00 0.00 N ATOM 383 CA LYS A 26 -4.572 -0.874 7.089 1.00 0.00 C ATOM 384 C LYS A 26 -3.325 -0.636 7.932 1.00 0.00 C ATOM 385 O LYS A 26 -2.209 -0.767 7.425 1.00 0.00 O ATOM 386 CB LYS A 26 -5.145 -2.269 7.370 1.00 0.00 C ATOM 387 CG LYS A 26 -6.034 -2.345 8.597 1.00 0.00 C ATOM 388 CD LYS A 26 -7.321 -1.560 8.395 1.00 0.00 C ATOM 389 CE LYS A 26 -8.275 -1.735 9.563 1.00 0.00 C ATOM 390 NZ LYS A 26 -7.644 -1.370 10.858 1.00 0.00 N ATOM 0 H LYS A 26 -3.294 -1.118 5.450 1.00 0.00 H new ATOM 0 HA LYS A 26 -5.322 -0.125 7.344 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -5.717 -2.596 6.501 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -4.319 -2.970 7.490 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -6.271 -3.387 8.813 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -5.498 -1.954 9.462 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -7.087 -0.503 8.272 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -7.807 -1.888 7.476 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -9.159 -1.118 9.404 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -8.612 -2.771 9.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -8.364 -1.373 11.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -6.901 -2.060 11.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -7.225 -0.421 10.785 1.00 0.00 H new ATOM 404 N LYS A 27 -3.503 -0.263 9.195 1.00 0.00 N ATOM 405 CA LYS A 27 -2.373 -0.117 10.098 1.00 0.00 C ATOM 406 C LYS A 27 -1.654 -1.456 10.243 1.00 0.00 C ATOM 407 O LYS A 27 -2.264 -2.454 10.634 1.00 0.00 O ATOM 408 CB LYS A 27 -2.824 0.389 11.471 1.00 0.00 C ATOM 409 CG LYS A 27 -1.704 0.389 12.500 1.00 0.00 C ATOM 410 CD LYS A 27 -2.128 1.022 13.813 1.00 0.00 C ATOM 411 CE LYS A 27 -0.977 1.027 14.805 1.00 0.00 C ATOM 412 NZ LYS A 27 -1.324 1.724 16.071 1.00 0.00 N ATOM 0 H LYS A 27 -4.411 -0.058 9.611 1.00 0.00 H new ATOM 0 HA LYS A 27 -1.689 0.619 9.676 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.216 1.401 11.369 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.642 -0.235 11.832 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.380 -0.636 12.681 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.846 0.928 12.100 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.467 2.043 13.637 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.972 0.473 14.231 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.687 -0.000 15.026 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.112 1.512 14.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.508 1.701 16.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.575 2.712 15.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -2.132 1.247 16.519 1.00 0.00 H new ATOM 426 N ASN A 28 -0.370 -1.465 9.899 1.00 0.00 N ATOM 427 CA ASN A 28 0.470 -2.671 9.967 1.00 0.00 C ATOM 428 C ASN A 28 0.057 -3.678 8.886 1.00 0.00 C ATOM 429 O ASN A 28 0.111 -4.891 9.080 1.00 0.00 O ATOM 430 CB ASN A 28 0.404 -3.299 11.372 1.00 0.00 C ATOM 431 CG ASN A 28 1.495 -4.328 11.629 1.00 0.00 C ATOM 432 OD1 ASN A 28 2.610 -3.982 12.020 1.00 0.00 O ATOM 433 ND2 ASN A 28 1.182 -5.600 11.441 1.00 0.00 N ATOM 0 H ASN A 28 0.125 -0.638 9.564 1.00 0.00 H new ATOM 0 HA ASN A 28 1.505 -2.385 9.778 1.00 0.00 H new ATOM 0 HB2 ASN A 28 0.478 -2.508 12.119 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -0.569 -3.772 11.504 1.00 0.00 H new ATOM 0 HD21 ASN A 28 1.874 -6.327 11.621 1.00 0.00 H new ATOM 0 HD22 ASN A 28 0.249 -5.853 11.116 1.00 0.00 H new ATOM 440 N GLU A 29 -0.349 -3.165 7.733 1.00 0.00 N ATOM 441 CA GLU A 29 -0.675 -4.014 6.601 1.00 0.00 C ATOM 442 C GLU A 29 0.378 -3.860 5.508 1.00 0.00 C ATOM 443 O GLU A 29 0.954 -2.788 5.338 1.00 0.00 O ATOM 444 CB GLU A 29 -2.064 -3.681 6.065 1.00 0.00 C ATOM 445 CG GLU A 29 -2.553 -4.666 5.019 1.00 0.00 C ATOM 446 CD GLU A 29 -2.440 -6.105 5.484 1.00 0.00 C ATOM 447 OE1 GLU A 29 -3.321 -6.562 6.235 1.00 0.00 O ATOM 448 OE2 GLU A 29 -1.458 -6.779 5.104 1.00 0.00 O ATOM 0 H GLU A 29 -0.460 -2.166 7.559 1.00 0.00 H new ATOM 0 HA GLU A 29 -0.680 -5.052 6.932 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -2.771 -3.661 6.894 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -2.050 -2.680 5.634 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -3.592 -4.446 4.775 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -1.976 -4.536 4.103 1.00 0.00 H new ATOM 455 N ARG A 30 0.624 -4.932 4.772 1.00 0.00 N ATOM 456 CA ARG A 30 1.661 -4.941 3.750 1.00 0.00 C ATOM 457 C ARG A 30 1.070 -4.609 2.388 1.00 0.00 C ATOM 458 O ARG A 30 -0.032 -5.055 2.050 1.00 0.00 O ATOM 459 CB ARG A 30 2.334 -6.311 3.689 1.00 0.00 C ATOM 460 CG ARG A 30 1.424 -7.387 3.126 1.00 0.00 C ATOM 461 CD ARG A 30 1.385 -8.614 4.019 1.00 0.00 C ATOM 462 NE ARG A 30 0.657 -8.348 5.262 1.00 0.00 N ATOM 463 CZ ARG A 30 0.964 -8.878 6.443 1.00 0.00 C ATOM 464 NH1 ARG A 30 1.961 -9.748 6.545 1.00 0.00 N ATOM 465 NH2 ARG A 30 0.257 -8.551 7.516 1.00 0.00 N ATOM 0 H ARG A 30 0.117 -5.812 4.863 1.00 0.00 H new ATOM 0 HA ARG A 30 2.402 -4.186 4.012 1.00 0.00 H new ATOM 0 HB2 ARG A 30 3.232 -6.243 3.075 1.00 0.00 H new ATOM 0 HB3 ARG A 30 2.654 -6.599 4.691 1.00 0.00 H new ATOM 0 HG2 ARG A 30 0.416 -6.988 3.012 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.769 -7.671 2.132 1.00 0.00 H new ATOM 0 HD2 ARG A 30 0.910 -9.438 3.487 1.00 0.00 H new ATOM 0 HD3 ARG A 30 2.402 -8.929 4.252 1.00 0.00 H new ATOM 0 HE ARG A 30 -0.140 -7.713 5.219 1.00 0.00 H new ATOM 0 HH11 ARG A 30 2.494 -10.012 5.717 1.00 0.00 H new ATOM 0 HH12 ARG A 30 2.194 -10.153 7.452 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -0.520 -7.895 7.434 1.00 0.00 H new ATOM 0 HH22 ARG A 30 0.490 -8.956 8.423 1.00 0.00 H new ATOM 479 N LEU A 31 1.805 -3.827 1.615 1.00 0.00 N ATOM 480 CA LEU A 31 1.402 -3.486 0.261 1.00 0.00 C ATOM 481 C LEU A 31 2.550 -3.776 -0.694 1.00 0.00 C ATOM 482 O LEU A 31 3.685 -3.967 -0.268 1.00 0.00 O ATOM 483 CB LEU A 31 1.000 -2.007 0.139 1.00 0.00 C ATOM 484 CG LEU A 31 -0.202 -1.555 0.979 1.00 0.00 C ATOM 485 CD1 LEU A 31 -1.309 -2.596 0.945 1.00 0.00 C ATOM 486 CD2 LEU A 31 0.206 -1.228 2.413 1.00 0.00 C ATOM 0 H LEU A 31 2.691 -3.413 1.905 1.00 0.00 H new ATOM 0 HA LEU A 31 0.532 -4.092 0.007 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.859 -1.396 0.415 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.783 -1.797 -0.908 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.589 -0.637 0.536 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.150 -2.253 1.548 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.637 -2.745 -0.084 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.935 -3.538 1.347 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.671 -0.912 2.978 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.638 -2.114 2.879 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.943 -0.425 2.407 1.00 0.00 H new ATOM 498 N TRP A 32 2.254 -3.803 -1.976 1.00 0.00 N ATOM 499 CA TRP A 32 3.270 -4.008 -2.996 1.00 0.00 C ATOM 500 C TRP A 32 3.559 -2.690 -3.690 1.00 0.00 C ATOM 501 O TRP A 32 2.686 -2.121 -4.338 1.00 0.00 O ATOM 502 CB TRP A 32 2.819 -5.060 -4.020 1.00 0.00 C ATOM 503 CG TRP A 32 2.893 -6.476 -3.522 1.00 0.00 C ATOM 504 CD1 TRP A 32 3.839 -7.404 -3.857 1.00 0.00 C ATOM 505 CD2 TRP A 32 1.994 -7.133 -2.613 1.00 0.00 C ATOM 506 NE1 TRP A 32 3.589 -8.593 -3.215 1.00 0.00 N ATOM 507 CE2 TRP A 32 2.463 -8.452 -2.444 1.00 0.00 C ATOM 508 CE3 TRP A 32 0.843 -6.736 -1.925 1.00 0.00 C ATOM 509 CZ2 TRP A 32 1.820 -9.371 -1.619 1.00 0.00 C ATOM 510 CZ3 TRP A 32 0.209 -7.649 -1.105 1.00 0.00 C ATOM 511 CH2 TRP A 32 0.695 -8.954 -0.959 1.00 0.00 C ATOM 0 H TRP A 32 1.310 -3.685 -2.343 1.00 0.00 H new ATOM 0 HA TRP A 32 4.178 -4.375 -2.517 1.00 0.00 H new ATOM 0 HB2 TRP A 32 1.793 -4.845 -4.317 1.00 0.00 H new ATOM 0 HB3 TRP A 32 3.436 -4.968 -4.914 1.00 0.00 H new ATOM 0 HD1 TRP A 32 4.665 -7.228 -4.530 1.00 0.00 H new ATOM 0 HE1 TRP A 32 4.149 -9.442 -3.298 1.00 0.00 H new ATOM 0 HE3 TRP A 32 0.457 -5.733 -2.033 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 2.195 -10.377 -1.504 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -0.678 -7.351 -0.566 1.00 0.00 H new ATOM 0 HH2 TRP A 32 0.173 -9.645 -0.314 1.00 0.00 H new ATOM 522 N LEU A 33 4.777 -2.205 -3.557 1.00 0.00 N ATOM 523 CA LEU A 33 5.112 -0.878 -4.037 1.00 0.00 C ATOM 524 C LEU A 33 5.632 -0.911 -5.466 1.00 0.00 C ATOM 525 O LEU A 33 6.617 -1.583 -5.773 1.00 0.00 O ATOM 526 CB LEU A 33 6.133 -0.226 -3.105 1.00 0.00 C ATOM 527 CG LEU A 33 6.533 1.205 -3.467 1.00 0.00 C ATOM 528 CD1 LEU A 33 5.298 2.084 -3.608 1.00 0.00 C ATOM 529 CD2 LEU A 33 7.462 1.766 -2.408 1.00 0.00 C ATOM 0 H LEU A 33 5.550 -2.708 -3.122 1.00 0.00 H new ATOM 0 HA LEU A 33 4.200 -0.281 -4.038 1.00 0.00 H new ATOM 0 HB2 LEU A 33 5.728 -0.227 -2.093 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.031 -0.843 -3.089 1.00 0.00 H new ATOM 0 HG LEU A 33 7.055 1.192 -4.424 1.00 0.00 H new ATOM 0 HD11 LEU A 33 5.601 3.099 -3.866 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.656 1.686 -4.394 1.00 0.00 H new ATOM 0 HD13 LEU A 33 4.751 2.097 -2.665 1.00 0.00 H new ATOM 0 HD21 LEU A 33 7.742 2.785 -2.673 1.00 0.00 H new ATOM 0 HD22 LEU A 33 6.955 1.768 -1.443 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.358 1.148 -2.345 1.00 0.00 H new ATOM 541 N LEU A 34 4.948 -0.184 -6.337 1.00 0.00 N ATOM 542 CA LEU A 34 5.352 -0.085 -7.730 1.00 0.00 C ATOM 543 C LEU A 34 6.110 1.215 -7.966 1.00 0.00 C ATOM 544 O LEU A 34 7.242 1.207 -8.448 1.00 0.00 O ATOM 545 CB LEU A 34 4.139 -0.154 -8.670 1.00 0.00 C ATOM 546 CG LEU A 34 3.277 -1.425 -8.583 1.00 0.00 C ATOM 547 CD1 LEU A 34 4.143 -2.655 -8.397 1.00 0.00 C ATOM 548 CD2 LEU A 34 2.248 -1.318 -7.468 1.00 0.00 C ATOM 0 H LEU A 34 4.109 0.347 -6.102 1.00 0.00 H new ATOM 0 HA LEU A 34 6.003 -0.931 -7.949 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.501 0.706 -8.468 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.495 -0.052 -9.695 1.00 0.00 H new ATOM 0 HG LEU A 34 2.740 -1.525 -9.526 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.510 -3.540 -8.338 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.824 -2.752 -9.242 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.719 -2.559 -7.476 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.654 -2.231 -7.432 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.758 -1.179 -6.515 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.593 -0.467 -7.657 1.00 0.00 H new ATOM 560 N ASP A 35 5.483 2.331 -7.608 1.00 0.00 N ATOM 561 CA ASP A 35 6.079 3.647 -7.814 1.00 0.00 C ATOM 562 C ASP A 35 5.949 4.490 -6.558 1.00 0.00 C ATOM 563 O ASP A 35 4.860 4.612 -5.996 1.00 0.00 O ATOM 564 CB ASP A 35 5.414 4.378 -8.984 1.00 0.00 C ATOM 565 CG ASP A 35 5.647 3.697 -10.315 1.00 0.00 C ATOM 566 OD1 ASP A 35 6.683 3.974 -10.956 1.00 0.00 O ATOM 567 OD2 ASP A 35 4.790 2.893 -10.733 1.00 0.00 O ATOM 0 H ASP A 35 4.561 2.351 -7.173 1.00 0.00 H new ATOM 0 HA ASP A 35 7.134 3.498 -8.046 1.00 0.00 H new ATOM 0 HB2 ASP A 35 4.342 4.447 -8.800 1.00 0.00 H new ATOM 0 HB3 ASP A 35 5.795 5.398 -9.032 1.00 0.00 H new ATOM 572 N ASP A 36 7.059 5.068 -6.127 1.00 0.00 N ATOM 573 CA ASP A 36 7.079 5.913 -4.937 1.00 0.00 C ATOM 574 C ASP A 36 7.808 7.217 -5.234 1.00 0.00 C ATOM 575 O ASP A 36 8.362 7.856 -4.337 1.00 0.00 O ATOM 576 CB ASP A 36 7.757 5.179 -3.770 1.00 0.00 C ATOM 577 CG ASP A 36 9.246 4.965 -3.983 1.00 0.00 C ATOM 578 OD1 ASP A 36 9.636 4.439 -5.049 1.00 0.00 O ATOM 579 OD2 ASP A 36 10.036 5.312 -3.079 1.00 0.00 O ATOM 0 H ASP A 36 7.965 4.968 -6.585 1.00 0.00 H new ATOM 0 HA ASP A 36 6.052 6.140 -4.653 1.00 0.00 H new ATOM 0 HB2 ASP A 36 7.606 5.749 -2.853 1.00 0.00 H new ATOM 0 HB3 ASP A 36 7.274 4.212 -3.627 1.00 0.00 H new ATOM 584 N SER A 37 7.769 7.616 -6.504 1.00 0.00 N ATOM 585 CA SER A 37 8.493 8.789 -6.985 1.00 0.00 C ATOM 586 C SER A 37 8.129 10.058 -6.201 1.00 0.00 C ATOM 587 O SER A 37 9.014 10.803 -5.773 1.00 0.00 O ATOM 588 CB SER A 37 8.200 8.993 -8.474 1.00 0.00 C ATOM 589 OG SER A 37 8.372 7.783 -9.201 1.00 0.00 O ATOM 0 H SER A 37 7.235 7.135 -7.227 1.00 0.00 H new ATOM 0 HA SER A 37 9.557 8.609 -6.833 1.00 0.00 H new ATOM 0 HB2 SER A 37 7.180 9.355 -8.601 1.00 0.00 H new ATOM 0 HB3 SER A 37 8.862 9.760 -8.876 1.00 0.00 H new ATOM 0 HG SER A 37 8.177 7.940 -10.148 1.00 0.00 H new ATOM 595 N LYS A 38 6.836 10.301 -6.001 1.00 0.00 N ATOM 596 CA LYS A 38 6.391 11.497 -5.289 1.00 0.00 C ATOM 597 C LYS A 38 5.294 11.154 -4.297 1.00 0.00 C ATOM 598 O LYS A 38 5.102 9.993 -3.958 1.00 0.00 O ATOM 599 CB LYS A 38 5.863 12.566 -6.251 1.00 0.00 C ATOM 600 CG LYS A 38 6.860 13.038 -7.295 1.00 0.00 C ATOM 601 CD LYS A 38 6.616 14.494 -7.666 1.00 0.00 C ATOM 602 CE LYS A 38 5.156 14.768 -8.000 1.00 0.00 C ATOM 603 NZ LYS A 38 4.748 14.161 -9.296 1.00 0.00 N ATOM 0 H LYS A 38 6.083 9.691 -6.319 1.00 0.00 H new ATOM 0 HA LYS A 38 7.260 11.892 -4.763 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.984 12.172 -6.761 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.534 13.427 -5.669 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.874 12.922 -6.913 1.00 0.00 H new ATOM 0 HG3 LYS A 38 6.782 12.414 -8.186 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.924 15.134 -6.839 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.238 14.758 -8.521 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.524 14.376 -7.203 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.990 15.845 -8.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.747 14.375 -9.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.332 14.553 -10.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 4.880 13.130 -9.253 1.00 0.00 H new ATOM 617 N SER A 39 4.582 12.180 -3.840 1.00 0.00 N ATOM 618 CA SER A 39 3.469 12.003 -2.928 1.00 0.00 C ATOM 619 C SER A 39 2.387 11.131 -3.557 1.00 0.00 C ATOM 620 O SER A 39 2.126 11.234 -4.759 1.00 0.00 O ATOM 621 CB SER A 39 2.909 13.374 -2.549 1.00 0.00 C ATOM 622 OG SER A 39 2.929 14.253 -3.662 1.00 0.00 O ATOM 0 H SER A 39 4.763 13.151 -4.093 1.00 0.00 H new ATOM 0 HA SER A 39 3.818 11.496 -2.028 1.00 0.00 H new ATOM 0 HB2 SER A 39 1.888 13.266 -2.184 1.00 0.00 H new ATOM 0 HB3 SER A 39 3.496 13.799 -1.734 1.00 0.00 H new ATOM 0 HG SER A 39 2.565 15.124 -3.398 1.00 0.00 H new ATOM 628 N TRP A 40 1.778 10.277 -2.730 1.00 0.00 N ATOM 629 CA TRP A 40 0.774 9.313 -3.178 1.00 0.00 C ATOM 630 C TRP A 40 1.423 8.215 -4.011 1.00 0.00 C ATOM 631 O TRP A 40 1.571 8.332 -5.226 1.00 0.00 O ATOM 632 CB TRP A 40 -0.369 9.987 -3.951 1.00 0.00 C ATOM 633 CG TRP A 40 -1.277 10.800 -3.076 1.00 0.00 C ATOM 634 CD1 TRP A 40 -1.081 12.086 -2.652 1.00 0.00 C ATOM 635 CD2 TRP A 40 -2.524 10.377 -2.511 1.00 0.00 C ATOM 636 NE1 TRP A 40 -2.132 12.486 -1.860 1.00 0.00 N ATOM 637 CE2 TRP A 40 -3.030 11.457 -1.759 1.00 0.00 C ATOM 638 CE3 TRP A 40 -3.265 9.193 -2.567 1.00 0.00 C ATOM 639 CZ2 TRP A 40 -4.238 11.383 -1.072 1.00 0.00 C ATOM 640 CZ3 TRP A 40 -4.465 9.124 -1.884 1.00 0.00 C ATOM 641 CH2 TRP A 40 -4.941 10.212 -1.147 1.00 0.00 C ATOM 0 H TRP A 40 1.969 10.236 -1.729 1.00 0.00 H new ATOM 0 HA TRP A 40 0.334 8.862 -2.289 1.00 0.00 H new ATOM 0 HB2 TRP A 40 0.053 10.631 -4.723 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -0.955 9.222 -4.460 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -0.227 12.697 -2.902 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -2.227 13.401 -1.419 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -2.906 8.347 -3.134 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -4.608 12.221 -0.500 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -5.045 8.214 -1.921 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -5.883 10.126 -0.626 1.00 0.00 H new ATOM 652 N TRP A 41 1.824 7.151 -3.329 1.00 0.00 N ATOM 653 CA TRP A 41 2.536 6.056 -3.965 1.00 0.00 C ATOM 654 C TRP A 41 1.558 5.098 -4.627 1.00 0.00 C ATOM 655 O TRP A 41 0.415 4.960 -4.189 1.00 0.00 O ATOM 656 CB TRP A 41 3.384 5.298 -2.938 1.00 0.00 C ATOM 657 CG TRP A 41 4.421 6.142 -2.267 1.00 0.00 C ATOM 658 CD1 TRP A 41 4.911 7.339 -2.698 1.00 0.00 C ATOM 659 CD2 TRP A 41 5.112 5.841 -1.052 1.00 0.00 C ATOM 660 NE1 TRP A 41 5.854 7.808 -1.818 1.00 0.00 N ATOM 661 CE2 TRP A 41 5.997 6.906 -0.802 1.00 0.00 C ATOM 662 CE3 TRP A 41 5.064 4.777 -0.148 1.00 0.00 C ATOM 663 CZ2 TRP A 41 6.830 6.936 0.312 1.00 0.00 C ATOM 664 CZ3 TRP A 41 5.891 4.807 0.957 1.00 0.00 C ATOM 665 CH2 TRP A 41 6.761 5.882 1.179 1.00 0.00 C ATOM 0 H TRP A 41 1.666 7.025 -2.329 1.00 0.00 H new ATOM 0 HA TRP A 41 3.193 6.476 -4.727 1.00 0.00 H new ATOM 0 HB2 TRP A 41 2.726 4.876 -2.178 1.00 0.00 H new ATOM 0 HB3 TRP A 41 3.876 4.461 -3.434 1.00 0.00 H new ATOM 0 HD1 TRP A 41 4.602 7.845 -3.601 1.00 0.00 H new ATOM 0 HE1 TRP A 41 6.365 8.686 -1.908 1.00 0.00 H new ATOM 0 HE3 TRP A 41 4.393 3.947 -0.310 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 7.505 7.761 0.485 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 5.867 3.989 1.661 1.00 0.00 H new ATOM 0 HH2 TRP A 41 7.392 5.878 2.056 1.00 0.00 H new ATOM 676 N ARG A 42 2.013 4.438 -5.678 1.00 0.00 N ATOM 677 CA ARG A 42 1.200 3.453 -6.369 1.00 0.00 C ATOM 678 C ARG A 42 1.536 2.067 -5.846 1.00 0.00 C ATOM 679 O ARG A 42 2.635 1.555 -6.077 1.00 0.00 O ATOM 680 CB ARG A 42 1.426 3.522 -7.882 1.00 0.00 C ATOM 681 CG ARG A 42 0.445 2.676 -8.681 1.00 0.00 C ATOM 682 CD ARG A 42 1.135 1.560 -9.448 1.00 0.00 C ATOM 683 NE ARG A 42 2.076 2.056 -10.450 1.00 0.00 N ATOM 684 CZ ARG A 42 1.953 1.837 -11.759 1.00 0.00 C ATOM 685 NH1 ARG A 42 0.883 1.206 -12.239 1.00 0.00 N ATOM 686 NH2 ARG A 42 2.898 2.263 -12.584 1.00 0.00 N ATOM 0 H ARG A 42 2.945 4.567 -6.072 1.00 0.00 H new ATOM 0 HA ARG A 42 0.148 3.667 -6.179 1.00 0.00 H new ATOM 0 HB2 ARG A 42 1.347 4.560 -8.206 1.00 0.00 H new ATOM 0 HB3 ARG A 42 2.442 3.195 -8.105 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -0.294 2.246 -8.005 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -0.095 3.314 -9.380 1.00 0.00 H new ATOM 0 HD2 ARG A 42 1.665 0.917 -8.745 1.00 0.00 H new ATOM 0 HD3 ARG A 42 0.382 0.943 -9.938 1.00 0.00 H new ATOM 0 HE ARG A 42 2.875 2.603 -10.128 1.00 0.00 H new ATOM 0 HH11 ARG A 42 0.151 0.887 -11.604 1.00 0.00 H new ATOM 0 HH12 ARG A 42 0.795 1.042 -13.242 1.00 0.00 H new ATOM 0 HH21 ARG A 42 3.712 2.755 -12.216 1.00 0.00 H new ATOM 0 HH22 ARG A 42 2.811 2.099 -13.587 1.00 0.00 H new ATOM 700 N VAL A 43 0.593 1.476 -5.133 1.00 0.00 N ATOM 701 CA VAL A 43 0.796 0.173 -4.520 1.00 0.00 C ATOM 702 C VAL A 43 -0.311 -0.792 -4.885 1.00 0.00 C ATOM 703 O VAL A 43 -1.414 -0.384 -5.244 1.00 0.00 O ATOM 704 CB VAL A 43 0.850 0.258 -2.987 1.00 0.00 C ATOM 705 CG1 VAL A 43 2.185 0.815 -2.518 1.00 0.00 C ATOM 706 CG2 VAL A 43 -0.300 1.101 -2.473 1.00 0.00 C ATOM 0 H VAL A 43 -0.328 1.881 -4.963 1.00 0.00 H new ATOM 0 HA VAL A 43 1.751 -0.185 -4.903 1.00 0.00 H new ATOM 0 HB VAL A 43 0.752 -0.749 -2.580 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.196 0.864 -1.429 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.991 0.165 -2.860 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.326 1.815 -2.928 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.253 1.156 -1.385 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.230 2.106 -2.890 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.245 0.649 -2.773 1.00 0.00 H new ATOM 716 N ARG A 44 0.004 -2.069 -4.784 1.00 0.00 N ATOM 717 CA ARG A 44 -0.975 -3.124 -4.952 1.00 0.00 C ATOM 718 C ARG A 44 -1.221 -3.791 -3.606 1.00 0.00 C ATOM 719 O ARG A 44 -0.286 -4.022 -2.846 1.00 0.00 O ATOM 720 CB ARG A 44 -0.481 -4.166 -5.961 1.00 0.00 C ATOM 721 CG ARG A 44 -1.535 -5.208 -6.320 1.00 0.00 C ATOM 722 CD ARG A 44 -0.944 -6.409 -7.046 1.00 0.00 C ATOM 723 NE ARG A 44 -0.167 -6.033 -8.230 1.00 0.00 N ATOM 724 CZ ARG A 44 -0.491 -6.379 -9.477 1.00 0.00 C ATOM 725 NH1 ARG A 44 -1.608 -7.062 -9.712 1.00 0.00 N ATOM 726 NH2 ARG A 44 0.306 -6.048 -10.487 1.00 0.00 N ATOM 0 H ARG A 44 0.946 -2.404 -4.583 1.00 0.00 H new ATOM 0 HA ARG A 44 -1.901 -2.692 -5.330 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -0.159 -3.657 -6.870 1.00 0.00 H new ATOM 0 HB3 ARG A 44 0.394 -4.671 -5.552 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.032 -5.546 -5.411 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.298 -4.747 -6.948 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -0.305 -6.964 -6.359 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -1.750 -7.080 -7.344 1.00 0.00 H new ATOM 0 HE ARG A 44 0.674 -5.472 -8.092 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -2.219 -7.322 -8.938 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -1.854 -7.325 -10.666 1.00 0.00 H new ATOM 0 HH21 ARG A 44 1.166 -5.529 -10.309 1.00 0.00 H new ATOM 0 HH22 ARG A 44 0.058 -6.313 -11.440 1.00 0.00 H new ATOM 740 N ASN A 45 -2.471 -4.066 -3.297 1.00 0.00 N ATOM 741 CA ASN A 45 -2.818 -4.784 -2.074 1.00 0.00 C ATOM 742 C ASN A 45 -3.036 -6.265 -2.398 1.00 0.00 C ATOM 743 O ASN A 45 -3.098 -6.641 -3.570 1.00 0.00 O ATOM 744 CB ASN A 45 -4.087 -4.173 -1.459 1.00 0.00 C ATOM 745 CG ASN A 45 -4.498 -4.794 -0.135 1.00 0.00 C ATOM 746 OD1 ASN A 45 -5.249 -5.767 -0.100 1.00 0.00 O ATOM 747 ND2 ASN A 45 -4.021 -4.227 0.956 1.00 0.00 N ATOM 0 H ASN A 45 -3.271 -3.805 -3.874 1.00 0.00 H new ATOM 0 HA ASN A 45 -2.006 -4.698 -1.352 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -3.928 -3.105 -1.313 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -4.908 -4.279 -2.168 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -4.273 -4.595 1.874 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -3.400 -3.421 0.882 1.00 0.00 H new ATOM 754 N SER A 46 -3.176 -7.090 -1.366 1.00 0.00 N ATOM 755 CA SER A 46 -3.385 -8.527 -1.540 1.00 0.00 C ATOM 756 C SER A 46 -4.755 -8.796 -2.170 1.00 0.00 C ATOM 757 O SER A 46 -5.026 -9.892 -2.662 1.00 0.00 O ATOM 758 CB SER A 46 -3.267 -9.241 -0.185 1.00 0.00 C ATOM 759 OG SER A 46 -3.367 -10.648 -0.322 1.00 0.00 O ATOM 0 H SER A 46 -3.149 -6.787 -0.392 1.00 0.00 H new ATOM 0 HA SER A 46 -2.618 -8.916 -2.210 1.00 0.00 H new ATOM 0 HB2 SER A 46 -2.313 -8.988 0.278 1.00 0.00 H new ATOM 0 HB3 SER A 46 -4.050 -8.884 0.484 1.00 0.00 H new ATOM 0 HG SER A 46 -3.286 -11.069 0.559 1.00 0.00 H new ATOM 765 N MET A 47 -5.607 -7.774 -2.165 1.00 0.00 N ATOM 766 CA MET A 47 -6.934 -7.860 -2.769 1.00 0.00 C ATOM 767 C MET A 47 -6.838 -7.787 -4.296 1.00 0.00 C ATOM 768 O MET A 47 -7.847 -7.850 -4.994 1.00 0.00 O ATOM 769 CB MET A 47 -7.817 -6.728 -2.225 1.00 0.00 C ATOM 770 CG MET A 47 -9.296 -6.867 -2.550 1.00 0.00 C ATOM 771 SD MET A 47 -10.054 -8.303 -1.771 1.00 0.00 S ATOM 772 CE MET A 47 -11.747 -8.129 -2.334 1.00 0.00 C ATOM 0 H MET A 47 -5.399 -6.868 -1.745 1.00 0.00 H new ATOM 0 HA MET A 47 -7.384 -8.818 -2.509 1.00 0.00 H new ATOM 0 HB2 MET A 47 -7.699 -6.681 -1.142 1.00 0.00 H new ATOM 0 HB3 MET A 47 -7.458 -5.780 -2.626 1.00 0.00 H new ATOM 0 HG2 MET A 47 -9.820 -5.967 -2.228 1.00 0.00 H new ATOM 0 HG3 MET A 47 -9.420 -6.939 -3.631 1.00 0.00 H new ATOM 0 HE1 MET A 47 -12.349 -8.946 -1.936 1.00 0.00 H new ATOM 0 HE2 MET A 47 -12.150 -7.178 -1.986 1.00 0.00 H new ATOM 0 HE3 MET A 47 -11.773 -8.157 -3.423 1.00 0.00 H new ATOM 782 N ASN A 48 -5.605 -7.659 -4.796 1.00 0.00 N ATOM 783 CA ASN A 48 -5.306 -7.683 -6.234 1.00 0.00 C ATOM 784 C ASN A 48 -5.659 -6.374 -6.911 1.00 0.00 C ATOM 785 O ASN A 48 -5.535 -6.241 -8.127 1.00 0.00 O ATOM 786 CB ASN A 48 -6.002 -8.855 -6.942 1.00 0.00 C ATOM 787 CG ASN A 48 -5.616 -10.200 -6.362 1.00 0.00 C ATOM 788 OD1 ASN A 48 -6.380 -10.660 -5.380 1.00 0.00 O flip ATOM 789 ND2 ASN A 48 -4.649 -10.828 -6.800 1.00 0.00 N flip ATOM 0 H ASN A 48 -4.779 -7.535 -4.211 1.00 0.00 H new ATOM 0 HA ASN A 48 -4.229 -7.825 -6.320 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -7.082 -8.729 -6.869 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -5.750 -8.835 -8.002 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -4.088 -10.437 -7.557 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -4.411 -11.738 -6.406 1.00 0.00 H new ATOM 796 N LYS A 49 -6.077 -5.400 -6.123 1.00 0.00 N ATOM 797 CA LYS A 49 -6.343 -4.075 -6.648 1.00 0.00 C ATOM 798 C LYS A 49 -5.121 -3.192 -6.485 1.00 0.00 C ATOM 799 O LYS A 49 -4.203 -3.526 -5.733 1.00 0.00 O ATOM 800 CB LYS A 49 -7.553 -3.439 -5.966 1.00 0.00 C ATOM 801 CG LYS A 49 -8.876 -4.039 -6.408 1.00 0.00 C ATOM 802 CD LYS A 49 -9.314 -5.181 -5.514 1.00 0.00 C ATOM 803 CE LYS A 49 -10.713 -5.667 -5.866 1.00 0.00 C ATOM 804 NZ LYS A 49 -10.807 -6.185 -7.258 1.00 0.00 N ATOM 0 H LYS A 49 -6.239 -5.502 -5.121 1.00 0.00 H new ATOM 0 HA LYS A 49 -6.572 -4.173 -7.709 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -7.454 -3.552 -4.886 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -7.559 -2.369 -6.176 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -9.643 -3.264 -6.407 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -8.786 -4.397 -7.434 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -8.608 -6.006 -5.606 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -9.292 -4.857 -4.473 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -11.006 -6.453 -5.170 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -11.421 -4.848 -5.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -11.750 -6.595 -7.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -10.654 -5.406 -7.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -10.083 -6.917 -7.406 1.00 0.00 H new ATOM 818 N THR A 50 -5.121 -2.069 -7.183 1.00 0.00 N ATOM 819 CA THR A 50 -3.996 -1.154 -7.180 1.00 0.00 C ATOM 820 C THR A 50 -4.506 0.282 -7.192 1.00 0.00 C ATOM 821 O THR A 50 -5.598 0.553 -7.684 1.00 0.00 O ATOM 822 CB THR A 50 -3.093 -1.374 -8.410 1.00 0.00 C ATOM 823 OG1 THR A 50 -2.867 -2.774 -8.628 1.00 0.00 O ATOM 824 CG2 THR A 50 -1.757 -0.679 -8.234 1.00 0.00 C ATOM 0 H THR A 50 -5.901 -1.767 -7.767 1.00 0.00 H new ATOM 0 HA THR A 50 -3.411 -1.342 -6.280 1.00 0.00 H new ATOM 0 HB THR A 50 -3.606 -0.950 -9.273 1.00 0.00 H new ATOM 0 HG1 THR A 50 -2.293 -2.894 -9.413 1.00 0.00 H new ATOM 0 HG21 THR A 50 -1.139 -0.850 -9.115 1.00 0.00 H new ATOM 0 HG22 THR A 50 -1.918 0.391 -8.106 1.00 0.00 H new ATOM 0 HG23 THR A 50 -1.252 -1.078 -7.354 1.00 0.00 H new ATOM 832 N GLY A 51 -3.710 1.192 -6.666 1.00 0.00 N ATOM 833 CA GLY A 51 -4.113 2.579 -6.599 1.00 0.00 C ATOM 834 C GLY A 51 -3.065 3.439 -5.934 1.00 0.00 C ATOM 835 O GLY A 51 -1.928 3.004 -5.748 1.00 0.00 O ATOM 0 H GLY A 51 -2.786 0.996 -6.281 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.302 2.951 -7.606 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.050 2.658 -6.048 1.00 0.00 H new ATOM 839 N PHE A 52 -3.449 4.653 -5.567 1.00 0.00 N ATOM 840 CA PHE A 52 -2.542 5.581 -4.920 1.00 0.00 C ATOM 841 C PHE A 52 -2.906 5.716 -3.451 1.00 0.00 C ATOM 842 O PHE A 52 -4.085 5.748 -3.094 1.00 0.00 O ATOM 843 CB PHE A 52 -2.584 6.951 -5.604 1.00 0.00 C ATOM 844 CG PHE A 52 -2.145 6.926 -7.039 1.00 0.00 C ATOM 845 CD1 PHE A 52 -0.799 6.952 -7.363 1.00 0.00 C ATOM 846 CD2 PHE A 52 -3.076 6.873 -8.061 1.00 0.00 C ATOM 847 CE1 PHE A 52 -0.389 6.927 -8.682 1.00 0.00 C ATOM 848 CE2 PHE A 52 -2.674 6.847 -9.382 1.00 0.00 C ATOM 849 CZ PHE A 52 -1.329 6.872 -9.695 1.00 0.00 C ATOM 0 H PHE A 52 -4.391 5.017 -5.709 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.528 5.191 -5.004 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -3.600 7.342 -5.552 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -1.948 7.642 -5.051 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -0.061 6.992 -6.575 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.129 6.852 -7.823 1.00 0.00 H new ATOM 0 HE1 PHE A 52 0.664 6.950 -8.922 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.411 6.807 -10.170 1.00 0.00 H new ATOM 0 HZ PHE A 52 -1.012 6.849 -10.727 1.00 0.00 H new ATOM 859 N VAL A 53 -1.890 5.775 -2.611 1.00 0.00 N ATOM 860 CA VAL A 53 -2.081 5.865 -1.169 1.00 0.00 C ATOM 861 C VAL A 53 -1.222 6.975 -0.559 1.00 0.00 C ATOM 862 O VAL A 53 -0.170 7.321 -1.096 1.00 0.00 O ATOM 863 CB VAL A 53 -1.732 4.536 -0.475 1.00 0.00 C ATOM 864 CG1 VAL A 53 -2.799 3.491 -0.745 1.00 0.00 C ATOM 865 CG2 VAL A 53 -0.378 4.046 -0.943 1.00 0.00 C ATOM 0 H VAL A 53 -0.913 5.762 -2.903 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.135 6.094 -1.008 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.691 4.707 0.601 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -2.531 2.560 -0.245 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.758 3.844 -0.366 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.875 3.317 -1.818 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -0.140 3.105 -0.446 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.400 3.891 -2.022 1.00 0.00 H new ATOM 0 HG23 VAL A 53 0.382 4.788 -0.698 1.00 0.00 H new ATOM 875 N PRO A 54 -1.671 7.547 0.570 1.00 0.00 N ATOM 876 CA PRO A 54 -0.919 8.575 1.299 1.00 0.00 C ATOM 877 C PRO A 54 0.413 8.050 1.835 1.00 0.00 C ATOM 878 O PRO A 54 0.461 7.040 2.543 1.00 0.00 O ATOM 879 CB PRO A 54 -1.849 8.955 2.455 1.00 0.00 C ATOM 880 CG PRO A 54 -2.781 7.803 2.598 1.00 0.00 C ATOM 881 CD PRO A 54 -2.957 7.241 1.218 1.00 0.00 C ATOM 0 HA PRO A 54 -0.657 9.415 0.656 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -1.287 9.124 3.374 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -2.391 9.876 2.239 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -2.373 7.053 3.276 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -3.736 8.123 3.014 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -3.153 6.169 1.241 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -3.793 7.707 0.696 1.00 0.00 H new ATOM 889 N SER A 55 1.486 8.765 1.517 1.00 0.00 N ATOM 890 CA SER A 55 2.844 8.351 1.853 1.00 0.00 C ATOM 891 C SER A 55 3.119 8.421 3.361 1.00 0.00 C ATOM 892 O SER A 55 4.157 7.963 3.834 1.00 0.00 O ATOM 893 CB SER A 55 3.832 9.239 1.096 1.00 0.00 C ATOM 894 OG SER A 55 3.443 9.372 -0.265 1.00 0.00 O ATOM 0 H SER A 55 1.439 9.652 1.016 1.00 0.00 H new ATOM 0 HA SER A 55 2.965 7.309 1.558 1.00 0.00 H new ATOM 0 HB2 SER A 55 3.879 10.222 1.564 1.00 0.00 H new ATOM 0 HB3 SER A 55 4.833 8.811 1.154 1.00 0.00 H new ATOM 0 HG SER A 55 4.052 8.853 -0.831 1.00 0.00 H new ATOM 900 N ASN A 56 2.206 9.026 4.108 1.00 0.00 N ATOM 901 CA ASN A 56 2.356 9.130 5.558 1.00 0.00 C ATOM 902 C ASN A 56 1.646 7.988 6.277 1.00 0.00 C ATOM 903 O ASN A 56 1.754 7.845 7.495 1.00 0.00 O ATOM 904 CB ASN A 56 1.829 10.477 6.067 1.00 0.00 C ATOM 905 CG ASN A 56 2.779 11.629 5.778 1.00 0.00 C ATOM 906 OD1 ASN A 56 4.075 11.357 5.811 1.00 0.00 O flip ATOM 907 ND2 ASN A 56 2.350 12.758 5.544 1.00 0.00 N flip ATOM 0 H ASN A 56 1.356 9.452 3.739 1.00 0.00 H new ATOM 0 HA ASN A 56 3.421 9.062 5.778 1.00 0.00 H new ATOM 0 HB2 ASN A 56 0.864 10.683 5.604 1.00 0.00 H new ATOM 0 HB3 ASN A 56 1.659 10.413 7.142 1.00 0.00 H new ATOM 0 HD21 ASN A 56 1.344 12.928 5.527 1.00 0.00 H new ATOM 0 HD22 ASN A 56 3.000 13.524 5.367 1.00 0.00 H new ATOM 914 N TYR A 57 0.923 7.171 5.521 1.00 0.00 N ATOM 915 CA TYR A 57 0.170 6.067 6.088 1.00 0.00 C ATOM 916 C TYR A 57 0.758 4.744 5.625 1.00 0.00 C ATOM 917 O TYR A 57 0.766 3.760 6.366 1.00 0.00 O ATOM 918 CB TYR A 57 -1.301 6.183 5.694 1.00 0.00 C ATOM 919 CG TYR A 57 -2.009 7.341 6.379 1.00 0.00 C ATOM 920 CD1 TYR A 57 -1.780 8.660 5.991 1.00 0.00 C ATOM 921 CD2 TYR A 57 -2.882 7.116 7.438 1.00 0.00 C ATOM 922 CE1 TYR A 57 -2.408 9.713 6.630 1.00 0.00 C ATOM 923 CE2 TYR A 57 -3.509 8.165 8.083 1.00 0.00 C ATOM 924 CZ TYR A 57 -3.269 9.460 7.676 1.00 0.00 C ATOM 925 OH TYR A 57 -3.887 10.510 8.323 1.00 0.00 O ATOM 0 H TYR A 57 0.844 7.256 4.508 1.00 0.00 H new ATOM 0 HA TYR A 57 0.236 6.106 7.175 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -1.373 6.308 4.614 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -1.813 5.253 5.943 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -1.100 8.863 5.177 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -3.073 6.104 7.762 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -2.225 10.728 6.311 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -4.185 7.971 8.903 1.00 0.00 H new ATOM 0 HH TYR A 57 -4.463 10.162 9.036 1.00 0.00 H new ATOM 935 N VAL A 58 1.273 4.740 4.401 1.00 0.00 N ATOM 936 CA VAL A 58 2.020 3.604 3.887 1.00 0.00 C ATOM 937 C VAL A 58 3.490 3.988 3.808 1.00 0.00 C ATOM 938 O VAL A 58 3.812 5.137 3.502 1.00 0.00 O ATOM 939 CB VAL A 58 1.549 3.167 2.483 1.00 0.00 C ATOM 940 CG1 VAL A 58 0.081 2.812 2.471 1.00 0.00 C ATOM 941 CG2 VAL A 58 1.846 4.235 1.449 1.00 0.00 C ATOM 0 H VAL A 58 1.185 5.516 3.745 1.00 0.00 H new ATOM 0 HA VAL A 58 1.856 2.766 4.565 1.00 0.00 H new ATOM 0 HB VAL A 58 2.110 2.270 2.222 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -0.212 2.510 1.466 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -0.100 1.991 3.164 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -0.506 3.679 2.775 1.00 0.00 H new ATOM 0 HG21 VAL A 58 1.503 3.899 0.470 1.00 0.00 H new ATOM 0 HG22 VAL A 58 1.329 5.156 1.718 1.00 0.00 H new ATOM 0 HG23 VAL A 58 2.920 4.419 1.414 1.00 0.00 H new ATOM 951 N GLU A 59 4.386 3.060 4.097 1.00 0.00 N ATOM 952 CA GLU A 59 5.800 3.398 4.137 1.00 0.00 C ATOM 953 C GLU A 59 6.676 2.284 3.587 1.00 0.00 C ATOM 954 O GLU A 59 6.256 1.130 3.471 1.00 0.00 O ATOM 955 CB GLU A 59 6.221 3.743 5.564 1.00 0.00 C ATOM 956 CG GLU A 59 5.516 4.972 6.110 1.00 0.00 C ATOM 957 CD GLU A 59 5.952 5.328 7.510 1.00 0.00 C ATOM 958 OE1 GLU A 59 5.395 4.763 8.469 1.00 0.00 O ATOM 959 OE2 GLU A 59 6.856 6.175 7.662 1.00 0.00 O ATOM 0 H GLU A 59 4.167 2.085 4.304 1.00 0.00 H new ATOM 0 HA GLU A 59 5.942 4.268 3.496 1.00 0.00 H new ATOM 0 HB2 GLU A 59 6.013 2.893 6.214 1.00 0.00 H new ATOM 0 HB3 GLU A 59 7.298 3.908 5.589 1.00 0.00 H new ATOM 0 HG2 GLU A 59 5.708 5.818 5.450 1.00 0.00 H new ATOM 0 HG3 GLU A 59 4.440 4.800 6.103 1.00 0.00 H new ATOM 966 N ARG A 60 7.900 2.655 3.255 1.00 0.00 N ATOM 967 CA ARG A 60 8.878 1.732 2.713 1.00 0.00 C ATOM 968 C ARG A 60 9.607 1.004 3.835 1.00 0.00 C ATOM 969 O ARG A 60 9.402 1.294 5.015 1.00 0.00 O ATOM 970 CB ARG A 60 9.895 2.501 1.868 1.00 0.00 C ATOM 971 CG ARG A 60 9.318 3.125 0.606 1.00 0.00 C ATOM 972 CD ARG A 60 10.266 4.164 0.015 1.00 0.00 C ATOM 973 NE ARG A 60 11.667 3.755 0.126 1.00 0.00 N ATOM 974 CZ ARG A 60 12.482 3.569 -0.911 1.00 0.00 C ATOM 975 NH1 ARG A 60 12.068 3.817 -2.146 1.00 0.00 N ATOM 976 NH2 ARG A 60 13.731 3.171 -0.702 1.00 0.00 N ATOM 0 H ARG A 60 8.244 3.610 3.355 1.00 0.00 H new ATOM 0 HA ARG A 60 8.359 0.999 2.095 1.00 0.00 H new ATOM 0 HB2 ARG A 60 10.336 3.288 2.479 1.00 0.00 H new ATOM 0 HB3 ARG A 60 10.703 1.825 1.588 1.00 0.00 H new ATOM 0 HG2 ARG A 60 9.125 2.346 -0.131 1.00 0.00 H new ATOM 0 HG3 ARG A 60 8.360 3.592 0.835 1.00 0.00 H new ATOM 0 HD2 ARG A 60 10.018 4.326 -1.034 1.00 0.00 H new ATOM 0 HD3 ARG A 60 10.125 5.116 0.527 1.00 0.00 H new ATOM 0 HE ARG A 60 12.045 3.602 1.061 1.00 0.00 H new ATOM 0 HH11 ARG A 60 11.119 4.153 -2.308 1.00 0.00 H new ATOM 0 HH12 ARG A 60 12.699 3.672 -2.934 1.00 0.00 H new ATOM 0 HH21 ARG A 60 14.062 3.009 0.249 1.00 0.00 H new ATOM 0 HH22 ARG A 60 14.359 3.027 -1.492 1.00 0.00 H new ATOM 990 N LYS A 61 10.457 0.061 3.462 1.00 0.00 N ATOM 991 CA LYS A 61 11.332 -0.589 4.421 1.00 0.00 C ATOM 992 C LYS A 61 12.583 0.255 4.625 1.00 0.00 C ATOM 993 O LYS A 61 13.606 0.037 3.977 1.00 0.00 O ATOM 994 CB LYS A 61 11.714 -1.998 3.964 1.00 0.00 C ATOM 995 CG LYS A 61 10.806 -3.100 4.494 1.00 0.00 C ATOM 996 CD LYS A 61 9.426 -3.070 3.858 1.00 0.00 C ATOM 997 CE LYS A 61 8.575 -4.246 4.324 1.00 0.00 C ATOM 998 NZ LYS A 61 9.251 -5.547 4.068 1.00 0.00 N ATOM 0 H LYS A 61 10.559 -0.270 2.503 1.00 0.00 H new ATOM 0 HA LYS A 61 10.796 -0.682 5.365 1.00 0.00 H new ATOM 0 HB2 LYS A 61 11.704 -2.028 2.874 1.00 0.00 H new ATOM 0 HB3 LYS A 61 12.737 -2.204 4.279 1.00 0.00 H new ATOM 0 HG2 LYS A 61 11.268 -4.069 4.307 1.00 0.00 H new ATOM 0 HG3 LYS A 61 10.707 -2.997 5.575 1.00 0.00 H new ATOM 0 HD2 LYS A 61 8.927 -2.135 4.111 1.00 0.00 H new ATOM 0 HD3 LYS A 61 9.523 -3.096 2.773 1.00 0.00 H new ATOM 0 HE2 LYS A 61 8.368 -4.146 5.390 1.00 0.00 H new ATOM 0 HE3 LYS A 61 7.614 -4.227 3.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 8.542 -6.260 3.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 9.936 -5.436 3.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 9.748 -5.855 4.928 1.00 0.00 H new ATOM 1012 N ASN A 62 12.473 1.244 5.499 1.00 0.00 N ATOM 1013 CA ASN A 62 13.576 2.157 5.770 1.00 0.00 C ATOM 1014 C ASN A 62 14.624 1.481 6.644 1.00 0.00 C ATOM 1015 O ASN A 62 14.382 0.404 7.199 1.00 0.00 O ATOM 1016 CB ASN A 62 13.062 3.426 6.463 1.00 0.00 C ATOM 1017 CG ASN A 62 12.631 3.181 7.899 1.00 0.00 C ATOM 1018 OD1 ASN A 62 11.513 2.738 8.156 1.00 0.00 O ATOM 1019 ND2 ASN A 62 13.506 3.487 8.845 1.00 0.00 N ATOM 0 H ASN A 62 11.627 1.436 6.036 1.00 0.00 H new ATOM 0 HA ASN A 62 14.033 2.433 4.820 1.00 0.00 H new ATOM 0 HB2 ASN A 62 13.845 4.185 6.448 1.00 0.00 H new ATOM 0 HB3 ASN A 62 12.219 3.826 5.899 1.00 0.00 H new ATOM 0 HD21 ASN A 62 13.262 3.357 9.827 1.00 0.00 H new ATOM 0 HD22 ASN A 62 14.424 3.852 8.592 1.00 0.00 H new ATOM 1026 N SER A 63 15.784 2.107 6.757 1.00 0.00 N ATOM 1027 CA SER A 63 16.838 1.606 7.612 1.00 0.00 C ATOM 1028 C SER A 63 16.590 2.039 9.056 1.00 0.00 C ATOM 1029 O SER A 63 16.972 3.174 9.414 1.00 0.00 O ATOM 1030 CB SER A 63 18.197 2.105 7.111 1.00 0.00 C ATOM 1031 OG SER A 63 18.165 3.505 6.868 1.00 0.00 O ATOM 0 H SER A 63 16.017 2.968 6.262 1.00 0.00 H new ATOM 0 HA SER A 63 16.842 0.516 7.581 1.00 0.00 H new ATOM 0 HB2 SER A 63 18.967 1.877 7.848 1.00 0.00 H new ATOM 0 HB3 SER A 63 18.467 1.579 6.195 1.00 0.00 H new ATOM 0 HG SER A 63 17.762 3.961 7.636 1.00 0.00 H new TER 1037 SER A 63