USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 526 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: 1 68 ASN :FLIP amide:sc= -0.596 F(o=-3.3,f=-1.6) USER MOD Set 1.2: 1 83 HIS :FLIP no HD1:sc= -0.971 F(o=-3.4,f=-1.6) USER MOD Set 2.1: 1 30 ASN : amide:sc= -8.63! C(o=-13!,f=-13!) USER MOD Set 2.2: 1 33 THR OG1 : rot -140:sc= -4.04! USER MOD Set 3.1: 1 20 SER OG : rot 101:sc= 0.903 USER MOD Set 3.2: 1 23 ASN : amide:sc= 0.171 K(o=1.1,f=-5.4!) USER MOD Single : 1 7 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : 1 8 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0183) USER MOD Single : 1 12 GLN : amide:sc= -9.33! C(o=-9.3!,f=-9.5!) USER MOD Single : 1 25 GLN : amide:sc= -0.203 X(o=-0.2,f=0) USER MOD Single : 1 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 37 THR OG1 : rot 74:sc= -2.92! USER MOD Single : 1 40 SER OG : rot -133:sc= 0.998 USER MOD Single : 1 41 GLN : amide:sc= -0.0141 X(o=-0.014,f=0) USER MOD Single : 1 43 ASN : amide:sc= -2.49! C(o=-2.5!,f=-7!) USER MOD Single : 1 44 TYR OH : rot 180:sc= 0 USER MOD Single : 1 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : 1 54 LYS NZ :NH3+ -120:sc= 1.42 (180deg=-1.13) USER MOD Single : 1 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 58 THR OG1 : rot 75:sc= 0.898 USER MOD Single : 1 71 TYR OH : rot 180:sc= 0 USER MOD Single : 1 73 THR OG1 : rot 180:sc= -1.03 USER MOD Single : 1 75 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000557) USER MOD Single : 1 76 SER OG : rot -167:sc= 1.08 USER MOD Single : 1 77 SER OG : rot -162:sc= 1.08 USER MOD Single : 1 82 ASN :FLIP amide:sc= -2.08! F(o=-2.7,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 42 N VAL 1 4 -1.292 17.506 12.713 1.00 0.00 N ATOM 43 CA VAL 1 4 -1.259 16.801 11.472 1.00 0.00 C ATOM 44 C VAL 1 4 -0.087 17.287 10.630 1.00 0.00 C ATOM 45 O VAL 1 4 -0.204 18.243 9.864 1.00 0.00 O ATOM 46 CB VAL 1 4 -2.594 17.012 10.739 1.00 0.00 C ATOM 47 CG1 VAL 1 4 -2.808 18.482 10.413 1.00 0.00 C ATOM 48 CG2 VAL 1 4 -2.675 16.165 9.496 1.00 0.00 C ATOM 0 HA VAL 1 4 -1.122 15.735 11.652 1.00 0.00 H new ATOM 0 HB VAL 1 4 -3.394 16.695 11.408 1.00 0.00 H new ATOM 0 HG11 VAL 1 4 -3.759 18.605 9.895 1.00 0.00 H new ATOM 0 HG12 VAL 1 4 -2.820 19.061 11.336 1.00 0.00 H new ATOM 0 HG13 VAL 1 4 -1.998 18.835 9.774 1.00 0.00 H new ATOM 0 HG21 VAL 1 4 -3.630 16.337 9.000 1.00 0.00 H new ATOM 0 HG22 VAL 1 4 -1.862 16.432 8.820 1.00 0.00 H new ATOM 0 HG23 VAL 1 4 -2.591 15.113 9.767 1.00 0.00 H new ATOM 58 N CYS 1 5 1.054 16.632 10.799 1.00 0.00 N ATOM 59 CA CYS 1 5 2.260 17.019 10.068 1.00 0.00 C ATOM 60 C CYS 1 5 2.075 16.728 8.583 1.00 0.00 C ATOM 61 O CYS 1 5 2.262 15.600 8.126 1.00 0.00 O ATOM 62 CB CYS 1 5 3.516 16.283 10.598 1.00 0.00 C ATOM 63 SG CYS 1 5 3.277 15.293 12.123 1.00 0.00 S ATOM 0 H CYS 1 5 1.173 15.838 11.428 1.00 0.00 H new ATOM 0 HA CYS 1 5 2.415 18.087 10.220 1.00 0.00 H new ATOM 0 HB2 CYS 1 5 3.885 15.623 9.813 1.00 0.00 H new ATOM 0 HB3 CYS 1 5 4.295 17.022 10.786 1.00 0.00 H new ATOM 68 N GLY 1 6 1.689 17.765 7.840 1.00 0.00 N ATOM 69 CA GLY 1 6 1.457 17.624 6.414 1.00 0.00 C ATOM 70 C GLY 1 6 -0.018 17.439 6.081 1.00 0.00 C ATOM 71 O GLY 1 6 -0.359 17.008 4.979 1.00 0.00 O ATOM 0 H GLY 1 6 1.533 18.705 8.205 1.00 0.00 H new ATOM 0 HA2 GLY 1 6 1.835 18.507 5.898 1.00 0.00 H new ATOM 0 HA3 GLY 1 6 2.021 16.770 6.040 1.00 0.00 H new ATOM 75 N ASN 1 7 -0.892 17.760 7.039 1.00 0.00 N ATOM 76 CA ASN 1 7 -2.339 17.621 6.852 1.00 0.00 C ATOM 77 C ASN 1 7 -2.700 16.170 6.559 1.00 0.00 C ATOM 78 O ASN 1 7 -1.920 15.444 5.944 1.00 0.00 O ATOM 79 CB ASN 1 7 -2.833 18.510 5.706 1.00 0.00 C ATOM 80 CG ASN 1 7 -3.406 19.824 6.199 1.00 0.00 C ATOM 81 OD1 ASN 1 7 -2.733 20.588 6.890 1.00 0.00 O ATOM 82 ND2 ASN 1 7 -4.657 20.094 5.844 1.00 0.00 N ATOM 0 H ASN 1 7 -0.622 18.119 7.955 1.00 0.00 H new ATOM 0 HA ASN 1 7 -2.825 17.936 7.775 1.00 0.00 H new ATOM 0 HB2 ASN 1 7 -2.007 18.710 5.023 1.00 0.00 H new ATOM 0 HB3 ASN 1 7 -3.594 17.976 5.137 1.00 0.00 H new ATOM 0 HD21 ASN 1 7 -5.096 20.964 6.146 1.00 0.00 H new ATOM 0 HD22 ASN 1 7 -5.178 19.432 5.270 1.00 0.00 H new ATOM 89 N LYS 1 8 -3.883 15.744 6.998 1.00 0.00 N ATOM 90 CA LYS 1 8 -4.312 14.373 6.772 1.00 0.00 C ATOM 91 C LYS 1 8 -4.155 14.023 5.300 1.00 0.00 C ATOM 92 O LYS 1 8 -4.912 14.490 4.450 1.00 0.00 O ATOM 93 CB LYS 1 8 -5.756 14.162 7.267 1.00 0.00 C ATOM 94 CG LYS 1 8 -6.839 14.347 6.211 1.00 0.00 C ATOM 95 CD LYS 1 8 -7.002 13.099 5.356 1.00 0.00 C ATOM 96 CE LYS 1 8 -8.213 12.285 5.782 1.00 0.00 C ATOM 97 NZ LYS 1 8 -7.945 11.491 7.012 1.00 0.00 N ATOM 0 H LYS 1 8 -4.552 16.323 7.506 1.00 0.00 H new ATOM 0 HA LYS 1 8 -3.680 13.697 7.348 1.00 0.00 H new ATOM 0 HB2 LYS 1 8 -5.839 13.155 7.677 1.00 0.00 H new ATOM 0 HB3 LYS 1 8 -5.947 14.856 8.086 1.00 0.00 H new ATOM 0 HG2 LYS 1 8 -7.786 14.583 6.697 1.00 0.00 H new ATOM 0 HG3 LYS 1 8 -6.587 15.195 5.574 1.00 0.00 H new ATOM 0 HD2 LYS 1 8 -7.105 13.385 4.309 1.00 0.00 H new ATOM 0 HD3 LYS 1 8 -6.105 12.485 5.432 1.00 0.00 H new ATOM 0 HE2 LYS 1 8 -9.056 12.954 5.958 1.00 0.00 H new ATOM 0 HE3 LYS 1 8 -8.502 11.614 4.973 1.00 0.00 H new ATOM 0 HZ1 LYS 1 8 -8.778 10.912 7.240 1.00 0.00 H new ATOM 0 HZ2 LYS 1 8 -7.125 10.871 6.853 1.00 0.00 H new ATOM 0 HZ3 LYS 1 8 -7.744 12.135 7.804 1.00 0.00 H new ATOM 111 N ILE 1 9 -3.139 13.227 4.994 1.00 0.00 N ATOM 112 CA ILE 1 9 -2.886 12.860 3.603 1.00 0.00 C ATOM 113 C ILE 1 9 -4.151 12.360 2.934 1.00 0.00 C ATOM 114 O ILE 1 9 -4.875 11.523 3.472 1.00 0.00 O ATOM 115 CB ILE 1 9 -1.765 11.822 3.443 1.00 0.00 C ATOM 116 CG1 ILE 1 9 -1.931 10.660 4.418 1.00 0.00 C ATOM 117 CG2 ILE 1 9 -0.425 12.498 3.645 1.00 0.00 C ATOM 118 CD1 ILE 1 9 -2.998 9.671 4.005 1.00 0.00 C ATOM 0 H ILE 1 9 -2.488 12.829 5.672 1.00 0.00 H new ATOM 0 HA ILE 1 9 -2.550 13.773 3.111 1.00 0.00 H new ATOM 0 HB ILE 1 9 -1.818 11.408 2.436 1.00 0.00 H new ATOM 0 HG12 ILE 1 9 -0.979 10.137 4.512 1.00 0.00 H new ATOM 0 HG13 ILE 1 9 -2.176 11.056 5.404 1.00 0.00 H new ATOM 0 HG21 ILE 1 9 0.373 11.764 3.532 1.00 0.00 H new ATOM 0 HG22 ILE 1 9 -0.300 13.287 2.903 1.00 0.00 H new ATOM 0 HG23 ILE 1 9 -0.382 12.930 4.645 1.00 0.00 H new ATOM 0 HD11 ILE 1 9 -3.060 8.873 4.745 1.00 0.00 H new ATOM 0 HD12 ILE 1 9 -3.960 10.180 3.939 1.00 0.00 H new ATOM 0 HD13 ILE 1 9 -2.744 9.247 3.034 1.00 0.00 H new ATOM 130 N LEU 1 10 -4.422 12.915 1.768 1.00 0.00 N ATOM 131 CA LEU 1 10 -5.612 12.572 1.014 1.00 0.00 C ATOM 132 C LEU 1 10 -5.322 11.521 -0.054 1.00 0.00 C ATOM 133 O LEU 1 10 -6.153 11.256 -0.921 1.00 0.00 O ATOM 134 CB LEU 1 10 -6.194 13.846 0.392 1.00 0.00 C ATOM 135 CG LEU 1 10 -5.199 14.729 -0.379 1.00 0.00 C ATOM 136 CD1 LEU 1 10 -4.480 15.683 0.566 1.00 0.00 C ATOM 137 CD2 LEU 1 10 -4.196 13.886 -1.155 1.00 0.00 C ATOM 0 H LEU 1 10 -3.828 13.612 1.319 1.00 0.00 H new ATOM 0 HA LEU 1 10 -6.343 12.133 1.693 1.00 0.00 H new ATOM 0 HB2 LEU 1 10 -6.999 13.562 -0.285 1.00 0.00 H new ATOM 0 HB3 LEU 1 10 -6.642 14.444 1.186 1.00 0.00 H new ATOM 0 HG LEU 1 10 -5.767 15.318 -1.099 1.00 0.00 H new ATOM 0 HD11 LEU 1 10 -3.781 16.298 -0.000 1.00 0.00 H new ATOM 0 HD12 LEU 1 10 -5.210 16.324 1.060 1.00 0.00 H new ATOM 0 HD13 LEU 1 10 -3.934 15.110 1.316 1.00 0.00 H new ATOM 0 HD21 LEU 1 10 -3.507 14.540 -1.689 1.00 0.00 H new ATOM 0 HD22 LEU 1 10 -3.636 13.257 -0.463 1.00 0.00 H new ATOM 0 HD23 LEU 1 10 -4.726 13.256 -1.870 1.00 0.00 H new ATOM 149 N GLU 1 11 -4.136 10.928 0.028 1.00 0.00 N ATOM 150 CA GLU 1 11 -3.705 9.896 -0.918 1.00 0.00 C ATOM 151 C GLU 1 11 -2.220 9.587 -0.745 1.00 0.00 C ATOM 152 O GLU 1 11 -1.470 9.544 -1.721 1.00 0.00 O ATOM 153 CB GLU 1 11 -3.957 10.343 -2.360 1.00 0.00 C ATOM 154 CG GLU 1 11 -3.170 11.584 -2.752 1.00 0.00 C ATOM 155 CD GLU 1 11 -2.056 11.290 -3.739 1.00 0.00 C ATOM 156 OE1 GLU 1 11 -2.093 10.216 -4.376 1.00 0.00 O ATOM 157 OE2 GLU 1 11 -1.146 12.134 -3.876 1.00 0.00 O ATOM 0 H GLU 1 11 -3.446 11.145 0.747 1.00 0.00 H new ATOM 0 HA GLU 1 11 -4.286 8.998 -0.711 1.00 0.00 H new ATOM 0 HB2 GLU 1 11 -3.698 9.528 -3.036 1.00 0.00 H new ATOM 0 HB3 GLU 1 11 -5.021 10.540 -2.491 1.00 0.00 H new ATOM 0 HG2 GLU 1 11 -3.850 12.317 -3.187 1.00 0.00 H new ATOM 0 HG3 GLU 1 11 -2.745 12.036 -1.856 1.00 0.00 H new ATOM 164 N GLN 1 12 -1.791 9.384 0.494 1.00 0.00 N ATOM 165 CA GLN 1 12 -0.386 9.098 0.766 1.00 0.00 C ATOM 166 C GLN 1 12 -0.215 7.844 1.618 1.00 0.00 C ATOM 167 O GLN 1 12 0.237 6.809 1.133 1.00 0.00 O ATOM 168 CB GLN 1 12 0.267 10.289 1.466 1.00 0.00 C ATOM 169 CG GLN 1 12 0.043 11.624 0.766 1.00 0.00 C ATOM 170 CD GLN 1 12 0.796 11.744 -0.545 1.00 0.00 C ATOM 171 OE1 GLN 1 12 2.010 11.947 -0.558 1.00 0.00 O ATOM 172 NE2 GLN 1 12 0.079 11.625 -1.655 1.00 0.00 N ATOM 0 H GLN 1 12 -2.388 9.411 1.320 1.00 0.00 H new ATOM 0 HA GLN 1 12 0.103 8.921 -0.192 1.00 0.00 H new ATOM 0 HB2 GLN 1 12 -0.120 10.355 2.483 1.00 0.00 H new ATOM 0 HB3 GLN 1 12 1.339 10.108 1.544 1.00 0.00 H new ATOM 0 HG2 GLN 1 12 -1.023 11.755 0.579 1.00 0.00 H new ATOM 0 HG3 GLN 1 12 0.351 12.432 1.430 1.00 0.00 H new ATOM 0 HE21 GLN 1 12 -0.925 11.457 -1.598 1.00 0.00 H new ATOM 0 HE22 GLN 1 12 0.532 11.701 -2.566 1.00 0.00 H new ATOM 181 N GLY 1 13 -0.558 7.951 2.895 1.00 0.00 N ATOM 182 CA GLY 1 13 -0.420 6.825 3.806 1.00 0.00 C ATOM 183 C GLY 1 13 0.980 6.234 3.791 1.00 0.00 C ATOM 184 O GLY 1 13 1.171 5.072 4.150 1.00 0.00 O ATOM 0 H GLY 1 13 -0.931 8.800 3.320 1.00 0.00 H new ATOM 0 HA2 GLY 1 13 -0.664 7.148 4.818 1.00 0.00 H new ATOM 0 HA3 GLY 1 13 -1.140 6.053 3.536 1.00 0.00 H new ATOM 188 N GLU 1 14 1.951 7.048 3.366 1.00 0.00 N ATOM 189 CA GLU 1 14 3.363 6.649 3.273 1.00 0.00 C ATOM 190 C GLU 1 14 4.045 7.423 2.156 1.00 0.00 C ATOM 191 O GLU 1 14 5.266 7.575 2.143 1.00 0.00 O ATOM 192 CB GLU 1 14 3.514 5.145 3.025 1.00 0.00 C ATOM 193 CG GLU 1 14 3.776 4.343 4.289 1.00 0.00 C ATOM 194 CD GLU 1 14 3.045 3.015 4.300 1.00 0.00 C ATOM 195 OE1 GLU 1 14 3.489 2.086 3.594 1.00 0.00 O ATOM 196 OE2 GLU 1 14 2.027 2.904 5.016 1.00 0.00 O ATOM 0 H GLU 1 14 1.780 8.010 3.074 1.00 0.00 H new ATOM 0 HA GLU 1 14 3.836 6.880 4.227 1.00 0.00 H new ATOM 0 HB2 GLU 1 14 2.608 4.771 2.549 1.00 0.00 H new ATOM 0 HB3 GLU 1 14 4.333 4.981 2.325 1.00 0.00 H new ATOM 0 HG2 GLU 1 14 4.847 4.165 4.386 1.00 0.00 H new ATOM 0 HG3 GLU 1 14 3.471 4.929 5.156 1.00 0.00 H new ATOM 203 N ASP 1 15 3.240 7.918 1.224 1.00 0.00 N ATOM 204 CA ASP 1 15 3.747 8.685 0.103 1.00 0.00 C ATOM 205 C ASP 1 15 4.523 9.906 0.588 1.00 0.00 C ATOM 206 O ASP 1 15 5.688 10.088 0.234 1.00 0.00 O ATOM 207 CB ASP 1 15 2.586 9.118 -0.789 1.00 0.00 C ATOM 208 CG ASP 1 15 3.043 9.898 -2.007 1.00 0.00 C ATOM 209 OD1 ASP 1 15 4.260 9.896 -2.292 1.00 0.00 O ATOM 210 OD2 ASP 1 15 2.185 10.511 -2.676 1.00 0.00 O ATOM 0 H ASP 1 15 2.227 7.798 1.227 1.00 0.00 H new ATOM 0 HA ASP 1 15 4.428 8.057 -0.471 1.00 0.00 H new ATOM 0 HB2 ASP 1 15 2.034 8.236 -1.114 1.00 0.00 H new ATOM 0 HB3 ASP 1 15 1.896 9.730 -0.208 1.00 0.00 H new ATOM 215 N CYS 1 16 3.871 10.743 1.401 1.00 0.00 N ATOM 216 CA CYS 1 16 4.506 11.949 1.929 1.00 0.00 C ATOM 217 C CYS 1 16 3.478 12.906 2.544 1.00 0.00 C ATOM 218 O CYS 1 16 2.380 13.079 2.018 1.00 0.00 O ATOM 219 CB CYS 1 16 5.284 12.655 0.811 1.00 0.00 C ATOM 220 SG CYS 1 16 5.379 14.474 0.965 1.00 0.00 S ATOM 0 H CYS 1 16 2.907 10.606 1.706 1.00 0.00 H new ATOM 0 HA CYS 1 16 5.193 11.651 2.721 1.00 0.00 H new ATOM 0 HB2 CYS 1 16 6.297 12.254 0.785 1.00 0.00 H new ATOM 0 HB3 CYS 1 16 4.820 12.410 -0.144 1.00 0.00 H new ATOM 225 N ASP 1 17 3.864 13.536 3.653 1.00 0.00 N ATOM 226 CA ASP 1 17 3.009 14.496 4.348 1.00 0.00 C ATOM 227 C ASP 1 17 1.851 13.798 5.045 1.00 0.00 C ATOM 228 O ASP 1 17 0.764 14.363 5.160 1.00 0.00 O ATOM 229 CB ASP 1 17 2.478 15.547 3.367 1.00 0.00 C ATOM 230 CG ASP 1 17 2.910 16.953 3.736 1.00 0.00 C ATOM 231 OD1 ASP 1 17 3.960 17.098 4.396 1.00 0.00 O ATOM 232 OD2 ASP 1 17 2.197 17.910 3.364 1.00 0.00 O ATOM 0 H ASP 1 17 4.774 13.396 4.093 1.00 0.00 H new ATOM 0 HA ASP 1 17 3.613 14.993 5.107 1.00 0.00 H new ATOM 0 HB2 ASP 1 17 2.831 15.313 2.362 1.00 0.00 H new ATOM 0 HB3 ASP 1 17 1.389 15.499 3.342 1.00 0.00 H new ATOM 237 N CYS 1 18 2.099 12.566 5.497 1.00 0.00 N ATOM 238 CA CYS 1 18 1.089 11.744 6.183 1.00 0.00 C ATOM 239 C CYS 1 18 0.082 12.580 6.966 1.00 0.00 C ATOM 240 O CYS 1 18 -1.094 12.226 7.040 1.00 0.00 O ATOM 241 CB CYS 1 18 1.749 10.738 7.132 1.00 0.00 C ATOM 242 SG CYS 1 18 3.257 9.961 6.475 1.00 0.00 S ATOM 0 H CYS 1 18 3.005 12.107 5.399 1.00 0.00 H new ATOM 0 HA CYS 1 18 0.551 11.214 5.397 1.00 0.00 H new ATOM 0 HB2 CYS 1 18 1.993 11.244 8.066 1.00 0.00 H new ATOM 0 HB3 CYS 1 18 1.028 9.957 7.372 1.00 0.00 H new ATOM 247 N GLY 1 19 0.542 13.679 7.555 1.00 0.00 N ATOM 248 CA GLY 1 19 -0.348 14.516 8.327 1.00 0.00 C ATOM 249 C GLY 1 19 -0.840 13.817 9.562 1.00 0.00 C ATOM 250 O GLY 1 19 -0.478 14.192 10.673 1.00 0.00 O ATOM 0 H GLY 1 19 1.509 14.001 7.510 1.00 0.00 H new ATOM 0 HA2 GLY 1 19 0.169 15.433 8.610 1.00 0.00 H new ATOM 0 HA3 GLY 1 19 -1.199 14.807 7.711 1.00 0.00 H new ATOM 254 N SER 1 20 -1.664 12.793 9.376 1.00 0.00 N ATOM 255 CA SER 1 20 -2.201 12.057 10.503 1.00 0.00 C ATOM 256 C SER 1 20 -1.077 11.633 11.434 1.00 0.00 C ATOM 257 O SER 1 20 -0.317 10.709 11.145 1.00 0.00 O ATOM 258 CB SER 1 20 -2.999 10.850 10.031 1.00 0.00 C ATOM 259 OG SER 1 20 -2.147 9.799 9.612 1.00 0.00 O ATOM 0 H SER 1 20 -1.970 12.459 8.462 1.00 0.00 H new ATOM 0 HA SER 1 20 -2.879 12.710 11.053 1.00 0.00 H new ATOM 0 HB2 SER 1 20 -3.642 10.499 10.838 1.00 0.00 H new ATOM 0 HB3 SER 1 20 -3.651 11.142 9.208 1.00 0.00 H new ATOM 0 HG SER 1 20 -2.088 9.124 10.320 1.00 0.00 H new ATOM 265 N PRO 1 21 -0.954 12.343 12.561 1.00 0.00 N ATOM 266 CA PRO 1 21 0.088 12.093 13.555 1.00 0.00 C ATOM 267 C PRO 1 21 0.173 10.631 13.962 1.00 0.00 C ATOM 268 O PRO 1 21 1.227 10.159 14.390 1.00 0.00 O ATOM 269 CB PRO 1 21 -0.331 12.974 14.731 1.00 0.00 C ATOM 270 CG PRO 1 21 -1.101 14.085 14.104 1.00 0.00 C ATOM 271 CD PRO 1 21 -1.825 13.469 12.941 1.00 0.00 C ATOM 0 HA PRO 1 21 1.083 12.322 13.173 1.00 0.00 H new ATOM 0 HB2 PRO 1 21 -0.941 12.421 15.445 1.00 0.00 H new ATOM 0 HB3 PRO 1 21 0.536 13.349 15.276 1.00 0.00 H new ATOM 0 HG2 PRO 1 21 -1.802 14.525 14.813 1.00 0.00 H new ATOM 0 HG3 PRO 1 21 -0.437 14.884 13.774 1.00 0.00 H new ATOM 0 HD2 PRO 1 21 -2.822 13.130 13.221 1.00 0.00 H new ATOM 0 HD3 PRO 1 21 -1.948 14.178 12.122 1.00 0.00 H new ATOM 279 N ALA 1 22 -0.928 9.905 13.806 1.00 0.00 N ATOM 280 CA ALA 1 22 -0.948 8.489 14.140 1.00 0.00 C ATOM 281 C ALA 1 22 0.156 7.755 13.382 1.00 0.00 C ATOM 282 O ALA 1 22 0.603 6.684 13.793 1.00 0.00 O ATOM 283 CB ALA 1 22 -2.308 7.886 13.819 1.00 0.00 C ATOM 0 H ALA 1 22 -1.812 10.272 13.453 1.00 0.00 H new ATOM 0 HA ALA 1 22 -0.769 8.379 15.210 1.00 0.00 H new ATOM 0 HB1 ALA 1 22 -2.306 6.826 14.075 1.00 0.00 H new ATOM 0 HB2 ALA 1 22 -3.078 8.397 14.397 1.00 0.00 H new ATOM 0 HB3 ALA 1 22 -2.515 8.002 12.755 1.00 0.00 H new ATOM 289 N ASN 1 23 0.590 8.350 12.271 1.00 0.00 N ATOM 290 CA ASN 1 23 1.641 7.771 11.446 1.00 0.00 C ATOM 291 C ASN 1 23 2.890 8.658 11.438 1.00 0.00 C ATOM 292 O ASN 1 23 3.981 8.195 11.107 1.00 0.00 O ATOM 293 CB ASN 1 23 1.135 7.564 10.016 1.00 0.00 C ATOM 294 CG ASN 1 23 -0.281 7.022 9.973 1.00 0.00 C ATOM 295 OD1 ASN 1 23 -1.201 7.609 10.542 1.00 0.00 O ATOM 296 ND2 ASN 1 23 -0.463 5.895 9.294 1.00 0.00 N ATOM 0 H ASN 1 23 0.225 9.237 11.923 1.00 0.00 H new ATOM 0 HA ASN 1 23 1.913 6.806 11.874 1.00 0.00 H new ATOM 0 HB2 ASN 1 23 1.174 8.512 9.480 1.00 0.00 H new ATOM 0 HB3 ASN 1 23 1.800 6.875 9.495 1.00 0.00 H new ATOM 0 HD21 ASN 1 23 -1.394 5.483 9.229 1.00 0.00 H new ATOM 0 HD22 ASN 1 23 0.328 5.441 8.837 1.00 0.00 H new ATOM 303 N CYS 1 24 2.726 9.932 11.805 1.00 0.00 N ATOM 304 CA CYS 1 24 3.847 10.876 11.839 1.00 0.00 C ATOM 305 C CYS 1 24 4.961 10.356 12.743 1.00 0.00 C ATOM 306 O CYS 1 24 5.003 10.660 13.935 1.00 0.00 O ATOM 307 CB CYS 1 24 3.367 12.254 12.323 1.00 0.00 C ATOM 308 SG CYS 1 24 4.459 13.652 11.879 1.00 0.00 S ATOM 0 H CYS 1 24 1.830 10.333 12.082 1.00 0.00 H new ATOM 0 HA CYS 1 24 4.243 10.977 10.829 1.00 0.00 H new ATOM 0 HB2 CYS 1 24 2.375 12.442 11.911 1.00 0.00 H new ATOM 0 HB3 CYS 1 24 3.261 12.225 13.407 1.00 0.00 H new ATOM 313 N GLN 1 25 5.859 9.562 12.163 1.00 0.00 N ATOM 314 CA GLN 1 25 6.973 8.987 12.909 1.00 0.00 C ATOM 315 C GLN 1 25 6.472 7.979 13.939 1.00 0.00 C ATOM 316 O GLN 1 25 6.475 8.252 15.140 1.00 0.00 O ATOM 317 CB GLN 1 25 7.780 10.089 13.601 1.00 0.00 C ATOM 318 CG GLN 1 25 8.058 11.290 12.712 1.00 0.00 C ATOM 319 CD GLN 1 25 8.965 12.308 13.375 1.00 0.00 C ATOM 320 OE1 GLN 1 25 9.937 12.771 12.779 1.00 0.00 O ATOM 321 NE2 GLN 1 25 8.651 12.661 14.616 1.00 0.00 N ATOM 0 H GLN 1 25 5.835 9.303 11.177 1.00 0.00 H new ATOM 0 HA GLN 1 25 7.621 8.467 12.203 1.00 0.00 H new ATOM 0 HB2 GLN 1 25 7.240 10.421 14.487 1.00 0.00 H new ATOM 0 HB3 GLN 1 25 8.728 9.673 13.943 1.00 0.00 H new ATOM 0 HG2 GLN 1 25 8.516 10.951 11.783 1.00 0.00 H new ATOM 0 HG3 GLN 1 25 7.115 11.767 12.447 1.00 0.00 H new ATOM 0 HE21 GLN 1 25 7.836 12.251 15.072 1.00 0.00 H new ATOM 0 HE22 GLN 1 25 9.225 13.342 15.113 1.00 0.00 H new ATOM 330 N ASP 1 26 6.040 6.814 13.463 1.00 0.00 N ATOM 331 CA ASP 1 26 5.534 5.772 14.350 1.00 0.00 C ATOM 332 C ASP 1 26 5.462 4.421 13.640 1.00 0.00 C ATOM 333 O ASP 1 26 6.322 3.562 13.833 1.00 0.00 O ATOM 334 CB ASP 1 26 4.152 6.156 14.883 1.00 0.00 C ATOM 335 CG ASP 1 26 4.230 6.955 16.169 1.00 0.00 C ATOM 336 OD1 ASP 1 26 4.380 6.338 17.244 1.00 0.00 O ATOM 337 OD2 ASP 1 26 4.142 8.199 16.100 1.00 0.00 O ATOM 0 H ASP 1 26 6.030 6.569 12.473 1.00 0.00 H new ATOM 0 HA ASP 1 26 6.229 5.679 15.184 1.00 0.00 H new ATOM 0 HB2 ASP 1 26 3.623 6.738 14.128 1.00 0.00 H new ATOM 0 HB3 ASP 1 26 3.568 5.252 15.055 1.00 0.00 H new ATOM 342 N ARG 1 27 4.424 4.234 12.828 1.00 0.00 N ATOM 343 CA ARG 1 27 4.237 2.981 12.103 1.00 0.00 C ATOM 344 C ARG 1 27 5.211 2.864 10.927 1.00 0.00 C ATOM 345 O ARG 1 27 6.312 2.335 11.079 1.00 0.00 O ATOM 346 CB ARG 1 27 2.787 2.862 11.618 1.00 0.00 C ATOM 347 CG ARG 1 27 2.526 1.635 10.757 1.00 0.00 C ATOM 348 CD ARG 1 27 2.725 0.348 11.541 1.00 0.00 C ATOM 349 NE ARG 1 27 1.508 -0.064 12.239 1.00 0.00 N ATOM 350 CZ ARG 1 27 1.184 0.329 13.470 1.00 0.00 C ATOM 351 NH1 ARG 1 27 1.981 1.145 14.149 1.00 0.00 N ATOM 352 NH2 ARG 1 27 0.057 -0.096 14.024 1.00 0.00 N ATOM 0 H ARG 1 27 3.701 4.933 12.656 1.00 0.00 H new ATOM 0 HA ARG 1 27 4.448 2.160 12.788 1.00 0.00 H new ATOM 0 HB2 ARG 1 27 2.125 2.834 12.484 1.00 0.00 H new ATOM 0 HB3 ARG 1 27 2.530 3.755 11.049 1.00 0.00 H new ATOM 0 HG2 ARG 1 27 1.508 1.672 10.369 1.00 0.00 H new ATOM 0 HG3 ARG 1 27 3.195 1.645 9.897 1.00 0.00 H new ATOM 0 HD2 ARG 1 27 3.039 -0.445 10.862 1.00 0.00 H new ATOM 0 HD3 ARG 1 27 3.529 0.485 12.264 1.00 0.00 H new ATOM 0 HE ARG 1 27 0.867 -0.691 11.753 1.00 0.00 H new ATOM 0 HH11 ARG 1 27 2.849 1.476 13.729 1.00 0.00 H new ATOM 0 HH12 ARG 1 27 1.725 1.441 15.091 1.00 0.00 H new ATOM 0 HH21 ARG 1 27 -0.560 -0.723 13.508 1.00 0.00 H new ATOM 0 HH22 ARG 1 27 -0.193 0.204 14.966 1.00 0.00 H new ATOM 366 N CYS 1 28 4.805 3.354 9.756 1.00 0.00 N ATOM 367 CA CYS 1 28 5.653 3.291 8.570 1.00 0.00 C ATOM 368 C CYS 1 28 5.432 4.507 7.673 1.00 0.00 C ATOM 369 O CYS 1 28 5.589 4.426 6.455 1.00 0.00 O ATOM 370 CB CYS 1 28 5.364 2.013 7.777 1.00 0.00 C ATOM 371 SG CYS 1 28 5.763 0.472 8.663 1.00 0.00 S ATOM 0 H CYS 1 28 3.898 3.797 9.605 1.00 0.00 H new ATOM 0 HA CYS 1 28 6.691 3.285 8.902 1.00 0.00 H new ATOM 0 HB2 CYS 1 28 4.308 1.999 7.506 1.00 0.00 H new ATOM 0 HB3 CYS 1 28 5.932 2.041 6.847 1.00 0.00 H new ATOM 376 N CYS 1 29 5.051 5.627 8.278 1.00 0.00 N ATOM 377 CA CYS 1 29 4.785 6.849 7.526 1.00 0.00 C ATOM 378 C CYS 1 29 5.540 8.042 8.098 1.00 0.00 C ATOM 379 O CYS 1 29 5.690 8.176 9.313 1.00 0.00 O ATOM 380 CB CYS 1 29 3.284 7.137 7.539 1.00 0.00 C ATOM 381 SG CYS 1 29 2.681 8.058 6.094 1.00 0.00 S ATOM 0 H CYS 1 29 4.919 5.714 9.286 1.00 0.00 H new ATOM 0 HA CYS 1 29 5.131 6.696 6.504 1.00 0.00 H new ATOM 0 HB2 CYS 1 29 2.746 6.191 7.602 1.00 0.00 H new ATOM 0 HB3 CYS 1 29 3.043 7.701 8.440 1.00 0.00 H new ATOM 386 N ASN 1 30 6.003 8.912 7.207 1.00 0.00 N ATOM 387 CA ASN 1 30 6.731 10.106 7.606 1.00 0.00 C ATOM 388 C ASN 1 30 5.935 11.355 7.284 1.00 0.00 C ATOM 389 O ASN 1 30 6.019 11.901 6.184 1.00 0.00 O ATOM 390 CB ASN 1 30 8.091 10.164 6.921 1.00 0.00 C ATOM 391 CG ASN 1 30 9.118 9.279 7.596 1.00 0.00 C ATOM 392 OD1 ASN 1 30 9.877 8.571 6.934 1.00 0.00 O ATOM 393 ND2 ASN 1 30 9.145 9.314 8.923 1.00 0.00 N ATOM 0 H ASN 1 30 5.885 8.810 6.199 1.00 0.00 H new ATOM 0 HA ASN 1 30 6.885 10.059 8.684 1.00 0.00 H new ATOM 0 HB2 ASN 1 30 7.983 9.861 5.880 1.00 0.00 H new ATOM 0 HB3 ASN 1 30 8.449 11.193 6.918 1.00 0.00 H new ATOM 0 HD21 ASN 1 30 9.814 8.739 9.435 1.00 0.00 H new ATOM 0 HD22 ASN 1 30 8.497 9.916 9.431 1.00 0.00 H new ATOM 400 N ALA 1 31 5.185 11.815 8.268 1.00 0.00 N ATOM 401 CA ALA 1 31 4.389 13.023 8.122 1.00 0.00 C ATOM 402 C ALA 1 31 5.285 14.234 8.318 1.00 0.00 C ATOM 403 O ALA 1 31 4.984 15.336 7.861 1.00 0.00 O ATOM 404 CB ALA 1 31 3.231 13.032 9.113 1.00 0.00 C ATOM 0 H ALA 1 31 5.109 11.369 9.182 1.00 0.00 H new ATOM 0 HA ALA 1 31 3.959 13.055 7.121 1.00 0.00 H new ATOM 0 HB1 ALA 1 31 2.650 13.945 8.985 1.00 0.00 H new ATOM 0 HB2 ALA 1 31 2.592 12.167 8.934 1.00 0.00 H new ATOM 0 HB3 ALA 1 31 3.622 12.990 10.130 1.00 0.00 H new ATOM 410 N ALA 1 32 6.409 13.998 8.990 1.00 0.00 N ATOM 411 CA ALA 1 32 7.390 15.039 9.245 1.00 0.00 C ATOM 412 C ALA 1 32 8.576 14.893 8.298 1.00 0.00 C ATOM 413 O ALA 1 32 9.460 15.749 8.257 1.00 0.00 O ATOM 414 CB ALA 1 32 7.863 14.970 10.688 1.00 0.00 C ATOM 0 H ALA 1 32 6.661 13.085 9.369 1.00 0.00 H new ATOM 0 HA ALA 1 32 6.922 16.008 9.072 1.00 0.00 H new ATOM 0 HB1 ALA 1 32 8.598 15.755 10.868 1.00 0.00 H new ATOM 0 HB2 ALA 1 32 7.013 15.109 11.356 1.00 0.00 H new ATOM 0 HB3 ALA 1 32 8.318 13.997 10.876 1.00 0.00 H new ATOM 420 N THR 1 33 8.598 13.790 7.550 1.00 0.00 N ATOM 421 CA THR 1 33 9.683 13.520 6.621 1.00 0.00 C ATOM 422 C THR 1 33 9.187 13.415 5.179 1.00 0.00 C ATOM 423 O THR 1 33 9.966 13.140 4.266 1.00 0.00 O ATOM 424 CB THR 1 33 10.410 12.244 7.041 1.00 0.00 C ATOM 425 OG1 THR 1 33 9.892 11.755 8.269 1.00 0.00 O ATOM 426 CG2 THR 1 33 11.886 12.443 7.231 1.00 0.00 C ATOM 0 H THR 1 33 7.874 13.072 7.573 1.00 0.00 H new ATOM 0 HA THR 1 33 10.378 14.359 6.655 1.00 0.00 H new ATOM 0 HB THR 1 33 10.249 11.536 6.228 1.00 0.00 H new ATOM 0 HG1 THR 1 33 10.628 11.426 8.826 1.00 0.00 H new ATOM 0 HG21 THR 1 33 12.345 11.500 7.529 1.00 0.00 H new ATOM 0 HG22 THR 1 33 12.331 12.784 6.296 1.00 0.00 H new ATOM 0 HG23 THR 1 33 12.056 13.190 8.007 1.00 0.00 H new ATOM 434 N CYS 1 34 7.896 13.658 4.977 1.00 0.00 N ATOM 435 CA CYS 1 34 7.306 13.615 3.643 1.00 0.00 C ATOM 436 C CYS 1 34 7.705 12.347 2.882 1.00 0.00 C ATOM 437 O CYS 1 34 8.196 12.413 1.757 1.00 0.00 O ATOM 438 CB CYS 1 34 7.709 14.881 2.869 1.00 0.00 C ATOM 439 SG CYS 1 34 7.366 14.854 1.076 1.00 0.00 S ATOM 0 H CYS 1 34 7.237 13.887 5.721 1.00 0.00 H new ATOM 0 HA CYS 1 34 6.221 13.586 3.744 1.00 0.00 H new ATOM 0 HB2 CYS 1 34 7.190 15.733 3.307 1.00 0.00 H new ATOM 0 HB3 CYS 1 34 8.776 15.049 3.014 1.00 0.00 H new ATOM 444 N LYS 1 35 7.496 11.185 3.497 1.00 0.00 N ATOM 445 CA LYS 1 35 7.837 9.925 2.840 1.00 0.00 C ATOM 446 C LYS 1 35 7.492 8.719 3.702 1.00 0.00 C ATOM 447 O LYS 1 35 6.990 8.848 4.815 1.00 0.00 O ATOM 448 CB LYS 1 35 9.325 9.891 2.496 1.00 0.00 C ATOM 449 CG LYS 1 35 9.614 9.389 1.090 1.00 0.00 C ATOM 450 CD LYS 1 35 9.644 10.527 0.083 1.00 0.00 C ATOM 451 CE LYS 1 35 10.732 11.536 0.413 1.00 0.00 C ATOM 452 NZ LYS 1 35 11.393 12.062 -0.814 1.00 0.00 N ATOM 0 H LYS 1 35 7.100 11.089 4.432 1.00 0.00 H new ATOM 0 HA LYS 1 35 7.244 9.870 1.927 1.00 0.00 H new ATOM 0 HB2 LYS 1 35 9.738 10.894 2.607 1.00 0.00 H new ATOM 0 HB3 LYS 1 35 9.841 9.253 3.214 1.00 0.00 H new ATOM 0 HG2 LYS 1 35 10.571 8.868 1.079 1.00 0.00 H new ATOM 0 HG3 LYS 1 35 8.853 8.665 0.798 1.00 0.00 H new ATOM 0 HD2 LYS 1 35 9.810 10.125 -0.916 1.00 0.00 H new ATOM 0 HD3 LYS 1 35 8.675 11.027 0.069 1.00 0.00 H new ATOM 0 HE2 LYS 1 35 10.301 12.364 0.976 1.00 0.00 H new ATOM 0 HE3 LYS 1 35 11.478 11.068 1.055 1.00 0.00 H new ATOM 0 HZ1 LYS 1 35 12.128 12.747 -0.546 1.00 0.00 H new ATOM 0 HZ2 LYS 1 35 11.827 11.276 -1.339 1.00 0.00 H new ATOM 0 HZ3 LYS 1 35 10.686 12.531 -1.415 1.00 0.00 H new ATOM 466 N LEU 1 36 7.788 7.542 3.174 1.00 0.00 N ATOM 467 CA LEU 1 36 7.550 6.298 3.895 1.00 0.00 C ATOM 468 C LEU 1 36 8.820 5.906 4.643 1.00 0.00 C ATOM 469 O LEU 1 36 9.927 6.142 4.159 1.00 0.00 O ATOM 470 CB LEU 1 36 7.127 5.183 2.939 1.00 0.00 C ATOM 471 CG LEU 1 36 8.182 4.774 1.913 1.00 0.00 C ATOM 472 CD1 LEU 1 36 8.149 3.270 1.687 1.00 0.00 C ATOM 473 CD2 LEU 1 36 7.964 5.519 0.605 1.00 0.00 C ATOM 0 H LEU 1 36 8.195 7.420 2.246 1.00 0.00 H new ATOM 0 HA LEU 1 36 6.738 6.448 4.606 1.00 0.00 H new ATOM 0 HB2 LEU 1 36 6.855 4.306 3.526 1.00 0.00 H new ATOM 0 HB3 LEU 1 36 6.230 5.502 2.408 1.00 0.00 H new ATOM 0 HG LEU 1 36 9.166 5.040 2.300 1.00 0.00 H new ATOM 0 HD11 LEU 1 36 8.907 2.996 0.953 1.00 0.00 H new ATOM 0 HD12 LEU 1 36 8.351 2.756 2.627 1.00 0.00 H new ATOM 0 HD13 LEU 1 36 7.165 2.979 1.319 1.00 0.00 H new ATOM 0 HD21 LEU 1 36 8.723 5.217 -0.116 1.00 0.00 H new ATOM 0 HD22 LEU 1 36 6.975 5.282 0.212 1.00 0.00 H new ATOM 0 HD23 LEU 1 36 8.037 6.592 0.781 1.00 0.00 H new ATOM 485 N THR 1 37 8.668 5.339 5.833 1.00 0.00 N ATOM 486 CA THR 1 37 9.824 4.960 6.641 1.00 0.00 C ATOM 487 C THR 1 37 10.329 3.559 6.318 1.00 0.00 C ATOM 488 O THR 1 37 9.594 2.720 5.797 1.00 0.00 O ATOM 489 CB THR 1 37 9.483 5.045 8.124 1.00 0.00 C ATOM 490 OG1 THR 1 37 8.338 4.273 8.417 1.00 0.00 O ATOM 491 CG2 THR 1 37 9.220 6.454 8.589 1.00 0.00 C ATOM 0 H THR 1 37 7.765 5.132 6.259 1.00 0.00 H new ATOM 0 HA THR 1 37 10.621 5.664 6.399 1.00 0.00 H new ATOM 0 HB THR 1 37 10.359 4.663 8.649 1.00 0.00 H new ATOM 0 HG1 THR 1 37 8.571 3.321 8.398 1.00 0.00 H new ATOM 0 HG21 THR 1 37 8.983 6.448 9.653 1.00 0.00 H new ATOM 0 HG22 THR 1 37 10.106 7.065 8.418 1.00 0.00 H new ATOM 0 HG23 THR 1 37 8.380 6.870 8.033 1.00 0.00 H new ATOM 499 N PRO 1 38 11.607 3.293 6.648 1.00 0.00 N ATOM 500 CA PRO 1 38 12.243 1.994 6.421 1.00 0.00 C ATOM 501 C PRO 1 38 11.324 0.824 6.744 1.00 0.00 C ATOM 502 O PRO 1 38 10.446 0.927 7.601 1.00 0.00 O ATOM 503 CB PRO 1 38 13.418 2.035 7.392 1.00 0.00 C ATOM 504 CG PRO 1 38 13.818 3.466 7.413 1.00 0.00 C ATOM 505 CD PRO 1 38 12.539 4.250 7.285 1.00 0.00 C ATOM 0 HA PRO 1 38 12.521 1.843 5.378 1.00 0.00 H new ATOM 0 HB2 PRO 1 38 13.129 1.687 8.384 1.00 0.00 H new ATOM 0 HB3 PRO 1 38 14.236 1.397 7.056 1.00 0.00 H new ATOM 0 HG2 PRO 1 38 14.338 3.713 8.339 1.00 0.00 H new ATOM 0 HG3 PRO 1 38 14.500 3.694 6.594 1.00 0.00 H new ATOM 0 HD2 PRO 1 38 12.172 4.580 8.257 1.00 0.00 H new ATOM 0 HD3 PRO 1 38 12.675 5.143 6.675 1.00 0.00 H new ATOM 513 N GLY 1 39 11.529 -0.285 6.047 1.00 0.00 N ATOM 514 CA GLY 1 39 10.709 -1.461 6.265 1.00 0.00 C ATOM 515 C GLY 1 39 9.514 -1.502 5.334 1.00 0.00 C ATOM 516 O GLY 1 39 9.172 -2.554 4.795 1.00 0.00 O ATOM 0 H GLY 1 39 12.250 -0.392 5.333 1.00 0.00 H new ATOM 0 HA2 GLY 1 39 11.313 -2.356 6.118 1.00 0.00 H new ATOM 0 HA3 GLY 1 39 10.364 -1.475 7.299 1.00 0.00 H new ATOM 520 N SER 1 40 8.883 -0.348 5.141 1.00 0.00 N ATOM 521 CA SER 1 40 7.725 -0.248 4.265 1.00 0.00 C ATOM 522 C SER 1 40 8.134 -0.455 2.810 1.00 0.00 C ATOM 523 O SER 1 40 8.842 0.370 2.232 1.00 0.00 O ATOM 524 CB SER 1 40 7.052 1.117 4.433 1.00 0.00 C ATOM 525 OG SER 1 40 5.640 0.993 4.447 1.00 0.00 O ATOM 0 H SER 1 40 9.156 0.531 5.581 1.00 0.00 H new ATOM 0 HA SER 1 40 7.016 -1.029 4.540 1.00 0.00 H new ATOM 0 HB2 SER 1 40 7.388 1.580 5.361 1.00 0.00 H new ATOM 0 HB3 SER 1 40 7.354 1.777 3.620 1.00 0.00 H new ATOM 0 HG SER 1 40 5.247 1.666 3.853 1.00 0.00 H new ATOM 531 N GLN 1 41 7.686 -1.560 2.222 1.00 0.00 N ATOM 532 CA GLN 1 41 8.011 -1.868 0.834 1.00 0.00 C ATOM 533 C GLN 1 41 7.245 -0.952 -0.109 1.00 0.00 C ATOM 534 O GLN 1 41 7.741 -0.582 -1.174 1.00 0.00 O ATOM 535 CB GLN 1 41 7.684 -3.330 0.519 1.00 0.00 C ATOM 536 CG GLN 1 41 8.687 -4.316 1.096 1.00 0.00 C ATOM 537 CD GLN 1 41 9.830 -4.608 0.144 1.00 0.00 C ATOM 538 OE1 GLN 1 41 10.989 -4.317 0.440 1.00 0.00 O ATOM 539 NE2 GLN 1 41 9.509 -5.187 -1.007 1.00 0.00 N ATOM 0 H GLN 1 41 7.099 -2.255 2.683 1.00 0.00 H new ATOM 0 HA GLN 1 41 9.079 -1.707 0.691 1.00 0.00 H new ATOM 0 HB2 GLN 1 41 6.693 -3.564 0.907 1.00 0.00 H new ATOM 0 HB3 GLN 1 41 7.641 -3.459 -0.562 1.00 0.00 H new ATOM 0 HG2 GLN 1 41 9.088 -3.918 2.028 1.00 0.00 H new ATOM 0 HG3 GLN 1 41 8.176 -5.247 1.341 1.00 0.00 H new ATOM 0 HE21 GLN 1 41 8.535 -5.411 -1.211 1.00 0.00 H new ATOM 0 HE22 GLN 1 41 10.236 -5.408 -1.687 1.00 0.00 H new ATOM 548 N CYS 1 42 6.036 -0.585 0.294 1.00 0.00 N ATOM 549 CA CYS 1 42 5.199 0.295 -0.508 1.00 0.00 C ATOM 550 C CYS 1 42 4.318 1.154 0.385 1.00 0.00 C ATOM 551 O CYS 1 42 3.948 0.748 1.487 1.00 0.00 O ATOM 552 CB CYS 1 42 4.332 -0.519 -1.469 1.00 0.00 C ATOM 553 SG CYS 1 42 3.355 -1.829 -0.663 1.00 0.00 S ATOM 0 H CYS 1 42 5.613 -0.884 1.173 1.00 0.00 H new ATOM 0 HA CYS 1 42 5.851 0.947 -1.089 1.00 0.00 H new ATOM 0 HB2 CYS 1 42 3.654 0.157 -1.990 1.00 0.00 H new ATOM 0 HB3 CYS 1 42 4.974 -0.972 -2.225 1.00 0.00 H new ATOM 558 N ASN 1 43 3.983 2.341 -0.097 1.00 0.00 N ATOM 559 CA ASN 1 43 3.140 3.253 0.659 1.00 0.00 C ATOM 560 C ASN 1 43 1.692 2.782 0.634 1.00 0.00 C ATOM 561 O ASN 1 43 0.941 2.986 1.587 1.00 0.00 O ATOM 562 CB ASN 1 43 3.246 4.674 0.096 1.00 0.00 C ATOM 563 CG ASN 1 43 3.146 4.713 -1.417 1.00 0.00 C ATOM 564 OD1 ASN 1 43 3.734 3.885 -2.113 1.00 0.00 O ATOM 565 ND2 ASN 1 43 2.400 5.680 -1.935 1.00 0.00 N ATOM 0 H ASN 1 43 4.281 2.694 -1.006 1.00 0.00 H new ATOM 0 HA ASN 1 43 3.485 3.263 1.693 1.00 0.00 H new ATOM 0 HB2 ASN 1 43 2.455 5.290 0.524 1.00 0.00 H new ATOM 0 HB3 ASN 1 43 4.195 5.113 0.405 1.00 0.00 H new ATOM 0 HD21 ASN 1 43 2.297 5.758 -2.947 1.00 0.00 H new ATOM 0 HD22 ASN 1 43 1.930 6.346 -1.322 1.00 0.00 H new ATOM 572 N TYR 1 44 1.316 2.143 -0.467 1.00 0.00 N ATOM 573 CA TYR 1 44 -0.035 1.622 -0.641 1.00 0.00 C ATOM 574 C TYR 1 44 -0.174 0.984 -2.016 1.00 0.00 C ATOM 575 O TYR 1 44 0.779 0.958 -2.795 1.00 0.00 O ATOM 576 CB TYR 1 44 -1.074 2.735 -0.477 1.00 0.00 C ATOM 577 CG TYR 1 44 -0.963 3.822 -1.521 1.00 0.00 C ATOM 578 CD1 TYR 1 44 -1.325 3.584 -2.840 1.00 0.00 C ATOM 579 CD2 TYR 1 44 -0.490 5.082 -1.188 1.00 0.00 C ATOM 580 CE1 TYR 1 44 -1.217 4.569 -3.799 1.00 0.00 C ATOM 581 CE2 TYR 1 44 -0.379 6.077 -2.136 1.00 0.00 C ATOM 582 CZ TYR 1 44 -0.743 5.817 -3.443 1.00 0.00 C ATOM 583 OH TYR 1 44 -0.633 6.805 -4.395 1.00 0.00 O ATOM 0 H TYR 1 44 1.934 1.972 -1.260 1.00 0.00 H new ATOM 0 HA TYR 1 44 -0.212 0.868 0.126 1.00 0.00 H new ATOM 0 HB2 TYR 1 44 -2.072 2.299 -0.523 1.00 0.00 H new ATOM 0 HB3 TYR 1 44 -0.965 3.180 0.512 1.00 0.00 H new ATOM 0 HD1 TYR 1 44 -1.698 2.610 -3.120 1.00 0.00 H new ATOM 0 HD2 TYR 1 44 -0.203 5.288 -0.167 1.00 0.00 H new ATOM 0 HE1 TYR 1 44 -1.501 4.366 -4.821 1.00 0.00 H new ATOM 0 HE2 TYR 1 44 -0.010 7.053 -1.859 1.00 0.00 H new ATOM 0 HH TYR 1 44 -0.285 7.622 -3.980 1.00 0.00 H new ATOM 593 N GLY 1 45 -1.363 0.477 -2.316 1.00 0.00 N ATOM 594 CA GLY 1 45 -1.590 -0.142 -3.605 1.00 0.00 C ATOM 595 C GLY 1 45 -2.323 -1.461 -3.503 1.00 0.00 C ATOM 596 O GLY 1 45 -2.703 -1.891 -2.414 1.00 0.00 O ATOM 0 H GLY 1 45 -2.170 0.484 -1.692 1.00 0.00 H new ATOM 0 HA2 GLY 1 45 -2.164 0.539 -4.234 1.00 0.00 H new ATOM 0 HA3 GLY 1 45 -0.632 -0.302 -4.100 1.00 0.00 H new ATOM 600 N GLU 1 46 -2.524 -2.100 -4.648 1.00 0.00 N ATOM 601 CA GLU 1 46 -3.222 -3.380 -4.702 1.00 0.00 C ATOM 602 C GLU 1 46 -2.440 -4.475 -3.982 1.00 0.00 C ATOM 603 O GLU 1 46 -3.023 -5.425 -3.461 1.00 0.00 O ATOM 604 CB GLU 1 46 -3.453 -3.790 -6.156 1.00 0.00 C ATOM 605 CG GLU 1 46 -4.746 -3.251 -6.745 1.00 0.00 C ATOM 606 CD GLU 1 46 -4.871 -1.747 -6.598 1.00 0.00 C ATOM 607 OE1 GLU 1 46 -4.907 -1.264 -5.447 1.00 0.00 O ATOM 608 OE2 GLU 1 46 -4.934 -1.052 -7.634 1.00 0.00 O ATOM 0 H GLU 1 46 -2.213 -1.752 -5.555 1.00 0.00 H new ATOM 0 HA GLU 1 46 -4.180 -3.256 -4.197 1.00 0.00 H new ATOM 0 HB2 GLU 1 46 -2.616 -3.441 -6.760 1.00 0.00 H new ATOM 0 HB3 GLU 1 46 -3.461 -4.878 -6.221 1.00 0.00 H new ATOM 0 HG2 GLU 1 46 -4.797 -3.515 -7.801 1.00 0.00 H new ATOM 0 HG3 GLU 1 46 -5.593 -3.732 -6.255 1.00 0.00 H new ATOM 615 N CYS 1 47 -1.118 -4.346 -3.973 1.00 0.00 N ATOM 616 CA CYS 1 47 -0.260 -5.338 -3.334 1.00 0.00 C ATOM 617 C CYS 1 47 0.374 -4.803 -2.054 1.00 0.00 C ATOM 618 O CYS 1 47 1.367 -5.349 -1.580 1.00 0.00 O ATOM 619 CB CYS 1 47 0.843 -5.767 -4.299 1.00 0.00 C ATOM 620 SG CYS 1 47 0.420 -7.212 -5.316 1.00 0.00 S ATOM 0 H CYS 1 47 -0.618 -3.566 -4.400 1.00 0.00 H new ATOM 0 HA CYS 1 47 -0.886 -6.191 -3.071 1.00 0.00 H new ATOM 0 HB2 CYS 1 47 1.081 -4.931 -4.956 1.00 0.00 H new ATOM 0 HB3 CYS 1 47 1.744 -5.990 -3.728 1.00 0.00 H new ATOM 625 N CYS 1 48 -0.188 -3.736 -1.501 1.00 0.00 N ATOM 626 CA CYS 1 48 0.358 -3.150 -0.283 1.00 0.00 C ATOM 627 C CYS 1 48 -0.404 -3.615 0.953 1.00 0.00 C ATOM 628 O CYS 1 48 -1.629 -3.737 0.936 1.00 0.00 O ATOM 629 CB CYS 1 48 0.336 -1.625 -0.373 1.00 0.00 C ATOM 630 SG CYS 1 48 1.847 -0.822 0.252 1.00 0.00 S ATOM 0 H CYS 1 48 -1.012 -3.263 -1.871 1.00 0.00 H new ATOM 0 HA CYS 1 48 1.390 -3.488 -0.186 1.00 0.00 H new ATOM 0 HB2 CYS 1 48 0.187 -1.335 -1.413 1.00 0.00 H new ATOM 0 HB3 CYS 1 48 -0.520 -1.251 0.188 1.00 0.00 H new ATOM 635 N ASP 1 49 0.338 -3.873 2.026 1.00 0.00 N ATOM 636 CA ASP 1 49 -0.252 -4.325 3.279 1.00 0.00 C ATOM 637 C ASP 1 49 0.607 -3.901 4.467 1.00 0.00 C ATOM 638 O ASP 1 49 1.681 -4.457 4.699 1.00 0.00 O ATOM 639 CB ASP 1 49 -0.418 -5.845 3.271 1.00 0.00 C ATOM 640 CG ASP 1 49 -1.564 -6.307 4.150 1.00 0.00 C ATOM 641 OD1 ASP 1 49 -2.597 -5.607 4.194 1.00 0.00 O ATOM 642 OD2 ASP 1 49 -1.428 -7.368 4.794 1.00 0.00 O ATOM 0 H ASP 1 49 1.353 -3.776 2.051 1.00 0.00 H new ATOM 0 HA ASP 1 49 -1.233 -3.861 3.378 1.00 0.00 H new ATOM 0 HB2 ASP 1 49 -0.588 -6.184 2.249 1.00 0.00 H new ATOM 0 HB3 ASP 1 49 0.507 -6.310 3.611 1.00 0.00 H new ATOM 647 N GLN 1 50 0.125 -2.912 5.213 1.00 0.00 N ATOM 648 CA GLN 1 50 0.839 -2.404 6.380 1.00 0.00 C ATOM 649 C GLN 1 50 2.165 -1.761 5.982 1.00 0.00 C ATOM 650 O GLN 1 50 2.263 -0.538 5.875 1.00 0.00 O ATOM 651 CB GLN 1 50 1.080 -3.529 7.392 1.00 0.00 C ATOM 652 CG GLN 1 50 -0.191 -4.028 8.060 1.00 0.00 C ATOM 653 CD GLN 1 50 -0.376 -3.464 9.455 1.00 0.00 C ATOM 654 OE1 GLN 1 50 -1.236 -2.613 9.684 1.00 0.00 O ATOM 655 NE2 GLN 1 50 0.433 -3.935 10.396 1.00 0.00 N ATOM 0 H GLN 1 50 -0.762 -2.444 5.029 1.00 0.00 H new ATOM 0 HA GLN 1 50 0.217 -1.638 6.843 1.00 0.00 H new ATOM 0 HB2 GLN 1 50 1.567 -4.363 6.887 1.00 0.00 H new ATOM 0 HB3 GLN 1 50 1.769 -3.175 8.159 1.00 0.00 H new ATOM 0 HG2 GLN 1 50 -1.050 -3.758 7.446 1.00 0.00 H new ATOM 0 HG3 GLN 1 50 -0.166 -5.116 8.112 1.00 0.00 H new ATOM 0 HE21 GLN 1 50 1.132 -4.640 10.162 1.00 0.00 H new ATOM 0 HE22 GLN 1 50 0.356 -3.592 11.353 1.00 0.00 H new ATOM 664 N CYS 1 51 3.185 -2.587 5.770 1.00 0.00 N ATOM 665 CA CYS 1 51 4.506 -2.093 5.390 1.00 0.00 C ATOM 666 C CYS 1 51 5.252 -3.122 4.543 1.00 0.00 C ATOM 667 O CYS 1 51 6.481 -3.192 4.576 1.00 0.00 O ATOM 668 CB CYS 1 51 5.334 -1.754 6.635 1.00 0.00 C ATOM 669 SG CYS 1 51 4.416 -0.863 7.935 1.00 0.00 S ATOM 0 H CYS 1 51 3.123 -3.602 5.855 1.00 0.00 H new ATOM 0 HA CYS 1 51 4.364 -1.189 4.798 1.00 0.00 H new ATOM 0 HB2 CYS 1 51 5.729 -2.679 7.056 1.00 0.00 H new ATOM 0 HB3 CYS 1 51 6.190 -1.150 6.333 1.00 0.00 H new ATOM 674 N ARG 1 52 4.504 -3.920 3.787 1.00 0.00 N ATOM 675 CA ARG 1 52 5.101 -4.944 2.935 1.00 0.00 C ATOM 676 C ARG 1 52 4.148 -5.339 1.811 1.00 0.00 C ATOM 677 O ARG 1 52 2.957 -5.029 1.858 1.00 0.00 O ATOM 678 CB ARG 1 52 5.467 -6.176 3.765 1.00 0.00 C ATOM 679 CG ARG 1 52 6.657 -6.948 3.216 1.00 0.00 C ATOM 680 CD ARG 1 52 7.830 -6.930 4.184 1.00 0.00 C ATOM 681 NE ARG 1 52 8.693 -5.770 3.978 1.00 0.00 N ATOM 682 CZ ARG 1 52 9.944 -5.687 4.426 1.00 0.00 C ATOM 683 NH1 ARG 1 52 10.481 -6.693 5.105 1.00 0.00 N ATOM 684 NH2 ARG 1 52 10.660 -4.595 4.194 1.00 0.00 N ATOM 0 H ARG 1 52 3.486 -3.878 3.747 1.00 0.00 H new ATOM 0 HA ARG 1 52 6.007 -4.531 2.491 1.00 0.00 H new ATOM 0 HB2 ARG 1 52 5.687 -5.864 4.786 1.00 0.00 H new ATOM 0 HB3 ARG 1 52 4.604 -6.841 3.813 1.00 0.00 H new ATOM 0 HG2 ARG 1 52 6.363 -7.979 3.019 1.00 0.00 H new ATOM 0 HG3 ARG 1 52 6.964 -6.516 2.263 1.00 0.00 H new ATOM 0 HD2 ARG 1 52 7.455 -6.925 5.207 1.00 0.00 H new ATOM 0 HD3 ARG 1 52 8.414 -7.842 4.063 1.00 0.00 H new ATOM 0 HE ARG 1 52 8.315 -4.977 3.460 1.00 0.00 H new ATOM 0 HH11 ARG 1 52 9.935 -7.535 5.286 1.00 0.00 H new ATOM 0 HH12 ARG 1 52 11.440 -6.624 5.446 1.00 0.00 H new ATOM 0 HH21 ARG 1 52 10.252 -3.819 3.672 1.00 0.00 H new ATOM 0 HH22 ARG 1 52 11.618 -4.531 4.537 1.00 0.00 H new ATOM 698 N PHE 1 53 4.676 -6.025 0.801 1.00 0.00 N ATOM 699 CA PHE 1 53 3.863 -6.458 -0.329 1.00 0.00 C ATOM 700 C PHE 1 53 3.058 -7.700 0.024 1.00 0.00 C ATOM 701 O PHE 1 53 3.524 -8.562 0.769 1.00 0.00 O ATOM 702 CB PHE 1 53 4.737 -6.749 -1.552 1.00 0.00 C ATOM 703 CG PHE 1 53 5.204 -5.517 -2.274 1.00 0.00 C ATOM 704 CD1 PHE 1 53 4.363 -4.427 -2.429 1.00 0.00 C ATOM 705 CD2 PHE 1 53 6.484 -5.452 -2.798 1.00 0.00 C ATOM 706 CE1 PHE 1 53 4.790 -3.295 -3.092 1.00 0.00 C ATOM 707 CE2 PHE 1 53 6.918 -4.321 -3.463 1.00 0.00 C ATOM 708 CZ PHE 1 53 6.070 -3.241 -3.610 1.00 0.00 C ATOM 0 H PHE 1 53 5.659 -6.292 0.743 1.00 0.00 H new ATOM 0 HA PHE 1 53 3.176 -5.646 -0.568 1.00 0.00 H new ATOM 0 HB2 PHE 1 53 5.607 -7.325 -1.236 1.00 0.00 H new ATOM 0 HB3 PHE 1 53 4.176 -7.375 -2.246 1.00 0.00 H new ATOM 0 HD1 PHE 1 53 3.362 -4.464 -2.026 1.00 0.00 H new ATOM 0 HD2 PHE 1 53 7.150 -6.294 -2.686 1.00 0.00 H new ATOM 0 HE1 PHE 1 53 4.125 -2.452 -3.206 1.00 0.00 H new ATOM 0 HE2 PHE 1 53 7.919 -4.282 -3.867 1.00 0.00 H new ATOM 0 HZ PHE 1 53 6.407 -2.356 -4.129 1.00 0.00 H new ATOM 718 N LYS 1 54 1.853 -7.795 -0.526 1.00 0.00 N ATOM 719 CA LYS 1 54 0.999 -8.945 -0.273 1.00 0.00 C ATOM 720 C LYS 1 54 1.654 -10.210 -0.815 1.00 0.00 C ATOM 721 O LYS 1 54 1.734 -10.405 -2.026 1.00 0.00 O ATOM 722 CB LYS 1 54 -0.374 -8.744 -0.918 1.00 0.00 C ATOM 723 CG LYS 1 54 -1.425 -8.212 0.043 1.00 0.00 C ATOM 724 CD LYS 1 54 -2.368 -7.238 -0.645 1.00 0.00 C ATOM 725 CE LYS 1 54 -2.935 -6.226 0.337 1.00 0.00 C ATOM 726 NZ LYS 1 54 -3.477 -5.024 -0.354 1.00 0.00 N ATOM 0 H LYS 1 54 1.449 -7.093 -1.146 1.00 0.00 H new ATOM 0 HA LYS 1 54 0.864 -9.049 0.804 1.00 0.00 H new ATOM 0 HB2 LYS 1 54 -0.275 -8.053 -1.755 1.00 0.00 H new ATOM 0 HB3 LYS 1 54 -0.716 -9.694 -1.328 1.00 0.00 H new ATOM 0 HG2 LYS 1 54 -1.997 -9.044 0.455 1.00 0.00 H new ATOM 0 HG3 LYS 1 54 -0.935 -7.716 0.881 1.00 0.00 H new ATOM 0 HD2 LYS 1 54 -1.837 -6.716 -1.441 1.00 0.00 H new ATOM 0 HD3 LYS 1 54 -3.184 -7.789 -1.114 1.00 0.00 H new ATOM 0 HE2 LYS 1 54 -3.725 -6.694 0.925 1.00 0.00 H new ATOM 0 HE3 LYS 1 54 -2.155 -5.922 1.036 1.00 0.00 H new ATOM 0 HZ1 LYS 1 54 -2.968 -4.177 -0.028 1.00 0.00 H new ATOM 0 HZ2 LYS 1 54 -3.353 -5.129 -1.381 1.00 0.00 H new ATOM 0 HZ3 LYS 1 54 -4.489 -4.925 -0.136 1.00 0.00 H new ATOM 740 N LYS 1 55 2.134 -11.061 0.090 1.00 0.00 N ATOM 741 CA LYS 1 55 2.798 -12.307 -0.290 1.00 0.00 C ATOM 742 C LYS 1 55 2.168 -12.923 -1.536 1.00 0.00 C ATOM 743 O LYS 1 55 0.950 -13.121 -1.598 1.00 0.00 O ATOM 744 CB LYS 1 55 2.745 -13.308 0.866 1.00 0.00 C ATOM 745 CG LYS 1 55 3.490 -14.602 0.584 1.00 0.00 C ATOM 746 CD LYS 1 55 4.141 -15.154 1.842 1.00 0.00 C ATOM 747 CE LYS 1 55 5.240 -16.151 1.509 1.00 0.00 C ATOM 748 NZ LYS 1 55 6.555 -15.482 1.311 1.00 0.00 N ATOM 0 H LYS 1 55 2.075 -10.909 1.097 1.00 0.00 H new ATOM 0 HA LYS 1 55 3.837 -12.070 -0.519 1.00 0.00 H new ATOM 0 HB2 LYS 1 55 3.166 -12.843 1.758 1.00 0.00 H new ATOM 0 HB3 LYS 1 55 1.703 -13.539 1.088 1.00 0.00 H new ATOM 0 HG2 LYS 1 55 2.799 -15.340 0.177 1.00 0.00 H new ATOM 0 HG3 LYS 1 55 4.253 -14.426 -0.175 1.00 0.00 H new ATOM 0 HD2 LYS 1 55 4.557 -14.334 2.427 1.00 0.00 H new ATOM 0 HD3 LYS 1 55 3.386 -15.637 2.462 1.00 0.00 H new ATOM 0 HE2 LYS 1 55 5.322 -16.883 2.313 1.00 0.00 H new ATOM 0 HE3 LYS 1 55 4.972 -16.699 0.606 1.00 0.00 H new ATOM 0 HZ1 LYS 1 55 7.277 -16.196 1.086 1.00 0.00 H new ATOM 0 HZ2 LYS 1 55 6.484 -14.802 0.527 1.00 0.00 H new ATOM 0 HZ3 LYS 1 55 6.824 -14.980 2.181 1.00 0.00 H new ATOM 762 N ALA 1 56 3.005 -13.216 -2.532 1.00 0.00 N ATOM 763 CA ALA 1 56 2.535 -13.806 -3.781 1.00 0.00 C ATOM 764 C ALA 1 56 1.455 -14.842 -3.515 1.00 0.00 C ATOM 765 O ALA 1 56 1.624 -15.733 -2.682 1.00 0.00 O ATOM 766 CB ALA 1 56 3.684 -14.437 -4.546 1.00 0.00 C ATOM 0 H ALA 1 56 4.011 -13.054 -2.496 1.00 0.00 H new ATOM 0 HA ALA 1 56 2.110 -13.007 -4.389 1.00 0.00 H new ATOM 0 HB1 ALA 1 56 3.309 -14.870 -5.473 1.00 0.00 H new ATOM 0 HB2 ALA 1 56 4.429 -13.676 -4.776 1.00 0.00 H new ATOM 0 HB3 ALA 1 56 4.140 -15.219 -3.938 1.00 0.00 H new ATOM 772 N GLY 1 57 0.339 -14.702 -4.206 1.00 0.00 N ATOM 773 CA GLY 1 57 -0.766 -15.617 -4.009 1.00 0.00 C ATOM 774 C GLY 1 57 -1.984 -14.905 -3.461 1.00 0.00 C ATOM 775 O GLY 1 57 -3.082 -15.459 -3.445 1.00 0.00 O ATOM 0 H GLY 1 57 0.176 -13.973 -4.900 1.00 0.00 H new ATOM 0 HA2 GLY 1 57 -1.018 -16.095 -4.956 1.00 0.00 H new ATOM 0 HA3 GLY 1 57 -0.466 -16.409 -3.322 1.00 0.00 H new ATOM 779 N THR 1 58 -1.789 -13.663 -3.023 1.00 0.00 N ATOM 780 CA THR 1 58 -2.879 -12.860 -2.489 1.00 0.00 C ATOM 781 C THR 1 58 -3.737 -12.309 -3.624 1.00 0.00 C ATOM 782 O THR 1 58 -3.327 -11.387 -4.329 1.00 0.00 O ATOM 783 CB THR 1 58 -2.325 -11.705 -1.655 1.00 0.00 C ATOM 784 OG1 THR 1 58 -1.552 -12.191 -0.572 1.00 0.00 O ATOM 785 CG2 THR 1 58 -3.407 -10.817 -1.086 1.00 0.00 C ATOM 0 H THR 1 58 -0.884 -13.193 -3.029 1.00 0.00 H new ATOM 0 HA THR 1 58 -3.496 -13.495 -1.854 1.00 0.00 H new ATOM 0 HB THR 1 58 -1.713 -11.118 -2.339 1.00 0.00 H new ATOM 0 HG1 THR 1 58 -0.690 -12.516 -0.905 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -2.951 -10.016 -0.504 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -3.991 -10.387 -1.900 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -4.060 -11.406 -0.443 1.00 0.00 H new ATOM 793 N VAL 1 59 -4.926 -12.876 -3.801 1.00 0.00 N ATOM 794 CA VAL 1 59 -5.826 -12.430 -4.857 1.00 0.00 C ATOM 795 C VAL 1 59 -6.271 -10.989 -4.628 1.00 0.00 C ATOM 796 O VAL 1 59 -6.939 -10.688 -3.639 1.00 0.00 O ATOM 797 CB VAL 1 59 -7.077 -13.328 -4.958 1.00 0.00 C ATOM 798 CG1 VAL 1 59 -7.893 -13.263 -3.675 1.00 0.00 C ATOM 799 CG2 VAL 1 59 -7.925 -12.931 -6.159 1.00 0.00 C ATOM 0 H VAL 1 59 -5.287 -13.641 -3.230 1.00 0.00 H new ATOM 0 HA VAL 1 59 -5.267 -12.495 -5.790 1.00 0.00 H new ATOM 0 HB VAL 1 59 -6.748 -14.358 -5.097 1.00 0.00 H new ATOM 0 HG11 VAL 1 59 -8.770 -13.904 -3.769 1.00 0.00 H new ATOM 0 HG12 VAL 1 59 -7.283 -13.603 -2.838 1.00 0.00 H new ATOM 0 HG13 VAL 1 59 -8.211 -12.236 -3.498 1.00 0.00 H new ATOM 0 HG21 VAL 1 59 -8.803 -13.575 -6.214 1.00 0.00 H new ATOM 0 HG22 VAL 1 59 -8.242 -11.894 -6.053 1.00 0.00 H new ATOM 0 HG23 VAL 1 59 -7.338 -13.040 -7.071 1.00 0.00 H new ATOM 809 N CYS 1 60 -5.903 -10.100 -5.547 1.00 0.00 N ATOM 810 CA CYS 1 60 -6.279 -8.692 -5.430 1.00 0.00 C ATOM 811 C CYS 1 60 -7.400 -8.332 -6.401 1.00 0.00 C ATOM 812 O CYS 1 60 -8.088 -7.327 -6.224 1.00 0.00 O ATOM 813 CB CYS 1 60 -5.080 -7.780 -5.699 1.00 0.00 C ATOM 814 SG CYS 1 60 -3.519 -8.346 -4.961 1.00 0.00 S ATOM 0 H CYS 1 60 -5.350 -10.325 -6.374 1.00 0.00 H new ATOM 0 HA CYS 1 60 -6.629 -8.542 -4.409 1.00 0.00 H new ATOM 0 HB2 CYS 1 60 -4.945 -7.688 -6.777 1.00 0.00 H new ATOM 0 HB3 CYS 1 60 -5.306 -6.783 -5.320 1.00 0.00 H new ATOM 819 N ARG 1 61 -7.559 -9.140 -7.444 1.00 0.00 N ATOM 820 CA ARG 1 61 -8.574 -8.886 -8.462 1.00 0.00 C ATOM 821 C ARG 1 61 -9.025 -10.178 -9.140 1.00 0.00 C ATOM 822 O ARG 1 61 -8.580 -11.271 -8.787 1.00 0.00 O ATOM 823 CB ARG 1 61 -8.020 -7.920 -9.510 1.00 0.00 C ATOM 824 CG ARG 1 61 -8.993 -6.828 -9.925 1.00 0.00 C ATOM 825 CD ARG 1 61 -8.649 -6.277 -11.302 1.00 0.00 C ATOM 826 NE ARG 1 61 -7.210 -6.301 -11.558 1.00 0.00 N ATOM 827 CZ ARG 1 61 -6.361 -5.376 -11.117 1.00 0.00 C ATOM 828 NH1 ARG 1 61 -6.802 -4.335 -10.423 1.00 0.00 N ATOM 829 NH2 ARG 1 61 -5.066 -5.495 -11.372 1.00 0.00 N ATOM 0 H ARG 1 61 -6.998 -9.976 -7.607 1.00 0.00 H new ATOM 0 HA ARG 1 61 -9.441 -8.444 -7.971 1.00 0.00 H new ATOM 0 HB2 ARG 1 61 -7.115 -7.455 -9.118 1.00 0.00 H new ATOM 0 HB3 ARG 1 61 -7.729 -8.488 -10.394 1.00 0.00 H new ATOM 0 HG2 ARG 1 61 -10.008 -7.226 -9.933 1.00 0.00 H new ATOM 0 HG3 ARG 1 61 -8.972 -6.021 -9.192 1.00 0.00 H new ATOM 0 HD2 ARG 1 61 -9.163 -6.862 -12.065 1.00 0.00 H new ATOM 0 HD3 ARG 1 61 -9.015 -5.254 -11.385 1.00 0.00 H new ATOM 0 HE ARG 1 61 -6.834 -7.073 -12.108 1.00 0.00 H new ATOM 0 HH11 ARG 1 61 -7.798 -4.240 -10.224 1.00 0.00 H new ATOM 0 HH12 ARG 1 61 -6.145 -3.630 -10.088 1.00 0.00 H new ATOM 0 HH21 ARG 1 61 -4.722 -6.294 -11.905 1.00 0.00 H new ATOM 0 HH22 ARG 1 61 -4.413 -4.788 -11.035 1.00 0.00 H new ATOM 843 N ILE 1 62 -9.908 -10.036 -10.122 1.00 0.00 N ATOM 844 CA ILE 1 62 -10.425 -11.171 -10.871 1.00 0.00 C ATOM 845 C ILE 1 62 -11.437 -10.697 -11.902 1.00 0.00 C ATOM 846 O ILE 1 62 -12.289 -9.857 -11.611 1.00 0.00 O ATOM 847 CB ILE 1 62 -11.091 -12.207 -9.947 1.00 0.00 C ATOM 848 CG1 ILE 1 62 -11.750 -13.326 -10.761 1.00 0.00 C ATOM 849 CG2 ILE 1 62 -12.114 -11.523 -9.061 1.00 0.00 C ATOM 850 CD1 ILE 1 62 -10.780 -14.106 -11.621 1.00 0.00 C ATOM 0 H ILE 1 62 -10.283 -9.135 -10.419 1.00 0.00 H new ATOM 0 HA ILE 1 62 -9.580 -11.648 -11.368 1.00 0.00 H new ATOM 0 HB ILE 1 62 -10.321 -12.658 -9.321 1.00 0.00 H new ATOM 0 HG12 ILE 1 62 -12.250 -14.013 -10.079 1.00 0.00 H new ATOM 0 HG13 ILE 1 62 -12.521 -12.893 -11.399 1.00 0.00 H new ATOM 0 HG21 ILE 1 62 -12.582 -12.261 -8.409 1.00 0.00 H new ATOM 0 HG22 ILE 1 62 -11.620 -10.764 -8.454 1.00 0.00 H new ATOM 0 HG23 ILE 1 62 -12.876 -11.052 -9.682 1.00 0.00 H new ATOM 0 HD11 ILE 1 62 -11.319 -14.880 -12.167 1.00 0.00 H new ATOM 0 HD12 ILE 1 62 -10.298 -13.432 -12.329 1.00 0.00 H new ATOM 0 HD13 ILE 1 62 -10.023 -14.569 -10.988 1.00 0.00 H new ATOM 862 N ALA 1 63 -11.336 -11.235 -13.106 1.00 0.00 N ATOM 863 CA ALA 1 63 -12.245 -10.856 -14.177 1.00 0.00 C ATOM 864 C ALA 1 63 -13.700 -11.139 -13.785 1.00 0.00 C ATOM 865 O ALA 1 63 -14.323 -10.329 -13.100 1.00 0.00 O ATOM 866 CB ALA 1 63 -11.856 -11.548 -15.479 1.00 0.00 C ATOM 0 H ALA 1 63 -10.638 -11.932 -13.366 1.00 0.00 H new ATOM 0 HA ALA 1 63 -12.162 -9.782 -14.342 1.00 0.00 H new ATOM 0 HB1 ALA 1 63 -12.547 -11.253 -16.269 1.00 0.00 H new ATOM 0 HB2 ALA 1 63 -10.843 -11.258 -15.756 1.00 0.00 H new ATOM 0 HB3 ALA 1 63 -11.900 -12.629 -15.344 1.00 0.00 H new ATOM 872 N ARG 1 64 -14.240 -12.283 -14.202 1.00 0.00 N ATOM 873 CA ARG 1 64 -15.617 -12.635 -13.861 1.00 0.00 C ATOM 874 C ARG 1 64 -15.756 -14.129 -13.578 1.00 0.00 C ATOM 875 O ARG 1 64 -16.108 -14.905 -14.464 1.00 0.00 O ATOM 876 CB ARG 1 64 -16.562 -12.231 -14.994 1.00 0.00 C ATOM 877 CG ARG 1 64 -16.720 -10.727 -15.148 1.00 0.00 C ATOM 878 CD ARG 1 64 -17.284 -10.094 -13.886 1.00 0.00 C ATOM 879 NE ARG 1 64 -18.546 -10.709 -13.482 1.00 0.00 N ATOM 880 CZ ARG 1 64 -19.719 -10.433 -14.046 1.00 0.00 C ATOM 881 NH1 ARG 1 64 -19.797 -9.554 -15.037 1.00 0.00 N ATOM 882 NH2 ARG 1 64 -20.819 -11.038 -13.618 1.00 0.00 N ATOM 0 H ARG 1 64 -13.751 -12.975 -14.770 1.00 0.00 H new ATOM 0 HA ARG 1 64 -15.885 -12.091 -12.955 1.00 0.00 H new ATOM 0 HB2 ARG 1 64 -16.191 -12.647 -15.931 1.00 0.00 H new ATOM 0 HB3 ARG 1 64 -17.541 -12.674 -14.814 1.00 0.00 H new ATOM 0 HG2 ARG 1 64 -15.753 -10.280 -15.379 1.00 0.00 H new ATOM 0 HG3 ARG 1 64 -17.379 -10.514 -15.989 1.00 0.00 H new ATOM 0 HD2 ARG 1 64 -16.559 -10.189 -13.078 1.00 0.00 H new ATOM 0 HD3 ARG 1 64 -17.437 -9.028 -14.053 1.00 0.00 H new ATOM 0 HE ARG 1 64 -18.527 -11.390 -12.723 1.00 0.00 H new ATOM 0 HH11 ARG 1 64 -18.955 -9.086 -15.371 1.00 0.00 H new ATOM 0 HH12 ARG 1 64 -20.699 -9.347 -15.465 1.00 0.00 H new ATOM 0 HH21 ARG 1 64 -20.766 -11.715 -12.857 1.00 0.00 H new ATOM 0 HH22 ARG 1 64 -21.718 -10.827 -14.050 1.00 0.00 H new ATOM 896 N GLY 1 65 -15.495 -14.528 -12.339 1.00 0.00 N ATOM 897 CA GLY 1 65 -15.608 -15.928 -11.979 1.00 0.00 C ATOM 898 C GLY 1 65 -14.348 -16.459 -11.331 1.00 0.00 C ATOM 899 O GLY 1 65 -14.070 -16.171 -10.168 1.00 0.00 O ATOM 0 H GLY 1 65 -15.208 -13.910 -11.580 1.00 0.00 H new ATOM 0 HA2 GLY 1 65 -16.448 -16.058 -11.296 1.00 0.00 H new ATOM 0 HA3 GLY 1 65 -15.829 -16.513 -12.871 1.00 0.00 H new ATOM 903 N ASP 1 66 -13.582 -17.235 -12.090 1.00 0.00 N ATOM 904 CA ASP 1 66 -12.338 -17.804 -11.586 1.00 0.00 C ATOM 905 C ASP 1 66 -11.650 -18.661 -12.643 1.00 0.00 C ATOM 906 O ASP 1 66 -11.901 -19.861 -12.751 1.00 0.00 O ATOM 907 CB ASP 1 66 -12.598 -18.635 -10.327 1.00 0.00 C ATOM 908 CG ASP 1 66 -11.511 -18.461 -9.285 1.00 0.00 C ATOM 909 OD1 ASP 1 66 -11.630 -17.540 -8.450 1.00 0.00 O ATOM 910 OD2 ASP 1 66 -10.540 -19.247 -9.303 1.00 0.00 O ATOM 0 H ASP 1 66 -13.800 -17.484 -13.055 1.00 0.00 H new ATOM 0 HA ASP 1 66 -11.675 -16.976 -11.335 1.00 0.00 H new ATOM 0 HB2 ASP 1 66 -13.558 -18.349 -9.898 1.00 0.00 H new ATOM 0 HB3 ASP 1 66 -12.672 -19.688 -10.599 1.00 0.00 H new ATOM 915 N TRP 1 67 -10.777 -18.028 -13.414 1.00 0.00 N ATOM 916 CA TRP 1 67 -10.031 -18.710 -14.468 1.00 0.00 C ATOM 917 C TRP 1 67 -8.536 -18.589 -14.217 1.00 0.00 C ATOM 918 O TRP 1 67 -7.856 -19.563 -13.895 1.00 0.00 O ATOM 919 CB TRP 1 67 -10.369 -18.106 -15.836 1.00 0.00 C ATOM 920 CG TRP 1 67 -11.236 -16.884 -15.756 1.00 0.00 C ATOM 921 CD1 TRP 1 67 -10.907 -15.665 -15.229 1.00 0.00 C ATOM 922 CD2 TRP 1 67 -12.582 -16.771 -16.216 1.00 0.00 C ATOM 923 NE1 TRP 1 67 -11.971 -14.809 -15.330 1.00 0.00 N ATOM 924 CE2 TRP 1 67 -13.009 -15.462 -15.937 1.00 0.00 C ATOM 925 CE3 TRP 1 67 -13.465 -17.651 -16.838 1.00 0.00 C ATOM 926 CZ2 TRP 1 67 -14.283 -15.013 -16.260 1.00 0.00 C ATOM 927 CZ3 TRP 1 67 -14.733 -17.206 -17.160 1.00 0.00 C ATOM 928 CH2 TRP 1 67 -15.132 -15.895 -16.871 1.00 0.00 C ATOM 0 H TRP 1 67 -10.565 -17.034 -13.330 1.00 0.00 H new ATOM 0 HA TRP 1 67 -10.313 -19.763 -14.462 1.00 0.00 H new ATOM 0 HB2 TRP 1 67 -9.442 -17.851 -16.350 1.00 0.00 H new ATOM 0 HB3 TRP 1 67 -10.872 -18.859 -16.442 1.00 0.00 H new ATOM 0 HD1 TRP 1 67 -9.949 -15.415 -14.797 1.00 0.00 H new ATOM 0 HE1 TRP 1 67 -11.987 -13.842 -15.006 1.00 0.00 H new ATOM 0 HE3 TRP 1 67 -13.164 -18.663 -17.065 1.00 0.00 H new ATOM 0 HZ2 TRP 1 67 -14.593 -14.003 -16.037 1.00 0.00 H new ATOM 0 HZ3 TRP 1 67 -15.427 -17.879 -17.642 1.00 0.00 H new ATOM 0 HH2 TRP 1 67 -16.129 -15.574 -17.135 1.00 0.00 H new ATOM 939 N ASN 1 68 -8.047 -17.368 -14.363 1.00 0.00 N ATOM 940 CA ASN 1 68 -6.642 -17.058 -14.155 1.00 0.00 C ATOM 941 C ASN 1 68 -6.467 -16.363 -12.811 1.00 0.00 C ATOM 942 O ASN 1 68 -5.480 -16.575 -12.107 1.00 0.00 O ATOM 943 CB ASN 1 68 -6.126 -16.162 -15.284 1.00 0.00 C ATOM 944 CG ASN 1 68 -6.780 -16.470 -16.620 1.00 0.00 C ATOM 945 OD1 ASN 1 68 -8.015 -16.009 -16.796 1.00 0.00 O flip ATOM 946 ND2 ASN 1 68 -6.182 -17.114 -17.482 1.00 0.00 N flip ATOM 0 H ASN 1 68 -8.614 -16.563 -14.629 1.00 0.00 H new ATOM 0 HA ASN 1 68 -6.067 -17.984 -14.157 1.00 0.00 H new ATOM 0 HB2 ASN 1 68 -6.308 -15.119 -15.027 1.00 0.00 H new ATOM 0 HB3 ASN 1 68 -5.047 -16.284 -15.375 1.00 0.00 H new ATOM 0 HD21 ASN 1 68 -5.235 -17.448 -17.304 1.00 0.00 H new ATOM 0 HD22 ASN 1 68 -6.634 -17.313 -18.375 1.00 0.00 H new ATOM 953 N ASP 1 69 -7.456 -15.546 -12.461 1.00 0.00 N ATOM 954 CA ASP 1 69 -7.454 -14.823 -11.196 1.00 0.00 C ATOM 955 C ASP 1 69 -6.279 -13.865 -11.081 1.00 0.00 C ATOM 956 O ASP 1 69 -5.173 -14.156 -11.537 1.00 0.00 O ATOM 957 CB ASP 1 69 -7.409 -15.804 -10.032 1.00 0.00 C ATOM 958 CG ASP 1 69 -8.768 -16.397 -9.717 1.00 0.00 C ATOM 959 OD1 ASP 1 69 -9.261 -17.214 -10.524 1.00 0.00 O ATOM 960 OD2 ASP 1 69 -9.340 -16.046 -8.664 1.00 0.00 O ATOM 0 H ASP 1 69 -8.275 -15.368 -13.042 1.00 0.00 H new ATOM 0 HA ASP 1 69 -8.373 -14.238 -11.164 1.00 0.00 H new ATOM 0 HB2 ASP 1 69 -6.711 -16.608 -10.266 1.00 0.00 H new ATOM 0 HB3 ASP 1 69 -7.025 -15.296 -9.148 1.00 0.00 H new ATOM 965 N ASP 1 70 -6.530 -12.729 -10.442 1.00 0.00 N ATOM 966 CA ASP 1 70 -5.502 -11.722 -10.229 1.00 0.00 C ATOM 967 C ASP 1 70 -4.764 -12.006 -8.930 1.00 0.00 C ATOM 968 O ASP 1 70 -5.387 -12.134 -7.877 1.00 0.00 O ATOM 969 CB ASP 1 70 -6.138 -10.333 -10.181 1.00 0.00 C ATOM 970 CG ASP 1 70 -5.117 -9.213 -10.209 1.00 0.00 C ATOM 971 OD1 ASP 1 70 -4.168 -9.255 -9.398 1.00 0.00 O ATOM 972 OD2 ASP 1 70 -5.266 -8.294 -11.041 1.00 0.00 O ATOM 0 H ASP 1 70 -7.443 -12.483 -10.061 1.00 0.00 H new ATOM 0 HA ASP 1 70 -4.790 -11.755 -11.054 1.00 0.00 H new ATOM 0 HB2 ASP 1 70 -6.816 -10.220 -11.027 1.00 0.00 H new ATOM 0 HB3 ASP 1 70 -6.740 -10.246 -9.276 1.00 0.00 H new ATOM 977 N TYR 1 71 -3.442 -12.135 -9.002 1.00 0.00 N ATOM 978 CA TYR 1 71 -2.666 -12.446 -7.810 1.00 0.00 C ATOM 979 C TYR 1 71 -1.403 -11.620 -7.671 1.00 0.00 C ATOM 980 O TYR 1 71 -0.763 -11.248 -8.654 1.00 0.00 O ATOM 981 CB TYR 1 71 -2.296 -13.918 -7.813 1.00 0.00 C ATOM 982 CG TYR 1 71 -3.422 -14.791 -7.352 1.00 0.00 C ATOM 983 CD1 TYR 1 71 -3.752 -14.852 -6.013 1.00 0.00 C ATOM 984 CD2 TYR 1 71 -4.163 -15.535 -8.253 1.00 0.00 C ATOM 985 CE1 TYR 1 71 -4.790 -15.638 -5.571 1.00 0.00 C ATOM 986 CE2 TYR 1 71 -5.207 -16.324 -7.827 1.00 0.00 C ATOM 987 CZ TYR 1 71 -5.520 -16.377 -6.482 1.00 0.00 C ATOM 988 OH TYR 1 71 -6.562 -17.164 -6.050 1.00 0.00 O ATOM 0 H TYR 1 71 -2.896 -12.031 -9.857 1.00 0.00 H new ATOM 0 HA TYR 1 71 -3.301 -12.200 -6.959 1.00 0.00 H new ATOM 0 HB2 TYR 1 71 -2.000 -14.213 -8.820 1.00 0.00 H new ATOM 0 HB3 TYR 1 71 -1.431 -14.074 -7.168 1.00 0.00 H new ATOM 0 HD1 TYR 1 71 -3.185 -14.272 -5.300 1.00 0.00 H new ATOM 0 HD2 TYR 1 71 -3.919 -15.496 -9.304 1.00 0.00 H new ATOM 0 HE1 TYR 1 71 -5.033 -15.677 -4.519 1.00 0.00 H new ATOM 0 HE2 TYR 1 71 -5.779 -16.899 -8.540 1.00 0.00 H new ATOM 0 HH TYR 1 71 -6.971 -17.616 -6.818 1.00 0.00 H new ATOM 998 N CYS 1 72 -1.049 -11.360 -6.418 1.00 0.00 N ATOM 999 CA CYS 1 72 0.146 -10.601 -6.094 1.00 0.00 C ATOM 1000 C CYS 1 72 1.393 -11.445 -6.326 1.00 0.00 C ATOM 1001 O CYS 1 72 1.311 -12.668 -6.442 1.00 0.00 O ATOM 1002 CB CYS 1 72 0.094 -10.141 -4.639 1.00 0.00 C ATOM 1003 SG CYS 1 72 1.208 -8.753 -4.265 1.00 0.00 S ATOM 0 H CYS 1 72 -1.581 -11.669 -5.604 1.00 0.00 H new ATOM 0 HA CYS 1 72 0.189 -9.728 -6.745 1.00 0.00 H new ATOM 0 HB2 CYS 1 72 -0.928 -9.849 -4.397 1.00 0.00 H new ATOM 0 HB3 CYS 1 72 0.347 -10.982 -3.993 1.00 0.00 H new ATOM 1008 N THR 1 73 2.544 -10.789 -6.396 1.00 0.00 N ATOM 1009 CA THR 1 73 3.805 -11.486 -6.617 1.00 0.00 C ATOM 1010 C THR 1 73 4.798 -11.217 -5.485 1.00 0.00 C ATOM 1011 O THR 1 73 5.913 -11.739 -5.491 1.00 0.00 O ATOM 1012 CB THR 1 73 4.411 -11.062 -7.956 1.00 0.00 C ATOM 1013 OG1 THR 1 73 5.067 -9.813 -7.836 1.00 0.00 O ATOM 1014 CG2 THR 1 73 3.383 -10.937 -9.061 1.00 0.00 C ATOM 0 H THR 1 73 2.631 -9.777 -6.303 1.00 0.00 H new ATOM 0 HA THR 1 73 3.598 -12.556 -6.636 1.00 0.00 H new ATOM 0 HB THR 1 73 5.114 -11.852 -8.221 1.00 0.00 H new ATOM 0 HG1 THR 1 73 5.449 -9.560 -8.702 1.00 0.00 H new ATOM 0 HG21 THR 1 73 3.876 -10.633 -9.984 1.00 0.00 H new ATOM 0 HG22 THR 1 73 2.892 -11.898 -9.211 1.00 0.00 H new ATOM 0 HG23 THR 1 73 2.640 -10.189 -8.784 1.00 0.00 H new ATOM 1022 N GLY 1 74 4.388 -10.403 -4.515 1.00 0.00 N ATOM 1023 CA GLY 1 74 5.255 -10.085 -3.396 1.00 0.00 C ATOM 1024 C GLY 1 74 6.525 -9.375 -3.823 1.00 0.00 C ATOM 1025 O GLY 1 74 7.526 -9.399 -3.106 1.00 0.00 O ATOM 0 H GLY 1 74 3.470 -9.959 -4.485 1.00 0.00 H new ATOM 0 HA2 GLY 1 74 4.713 -9.457 -2.689 1.00 0.00 H new ATOM 0 HA3 GLY 1 74 5.516 -11.004 -2.871 1.00 0.00 H new ATOM 1029 N LYS 1 75 6.489 -8.744 -4.993 1.00 0.00 N ATOM 1030 CA LYS 1 75 7.651 -8.029 -5.508 1.00 0.00 C ATOM 1031 C LYS 1 75 7.274 -6.641 -6.027 1.00 0.00 C ATOM 1032 O LYS 1 75 8.103 -5.951 -6.621 1.00 0.00 O ATOM 1033 CB LYS 1 75 8.317 -8.835 -6.626 1.00 0.00 C ATOM 1034 CG LYS 1 75 8.594 -10.283 -6.252 1.00 0.00 C ATOM 1035 CD LYS 1 75 7.963 -11.247 -7.245 1.00 0.00 C ATOM 1036 CE LYS 1 75 8.902 -11.549 -8.402 1.00 0.00 C ATOM 1037 NZ LYS 1 75 8.797 -10.530 -9.482 1.00 0.00 N ATOM 0 H LYS 1 75 5.670 -8.713 -5.600 1.00 0.00 H new ATOM 0 HA LYS 1 75 8.352 -7.903 -4.683 1.00 0.00 H new ATOM 0 HB2 LYS 1 75 7.678 -8.813 -7.509 1.00 0.00 H new ATOM 0 HB3 LYS 1 75 9.256 -8.353 -6.900 1.00 0.00 H new ATOM 0 HG2 LYS 1 75 9.670 -10.451 -6.215 1.00 0.00 H new ATOM 0 HG3 LYS 1 75 8.206 -10.482 -5.253 1.00 0.00 H new ATOM 0 HD2 LYS 1 75 7.700 -12.175 -6.736 1.00 0.00 H new ATOM 0 HD3 LYS 1 75 7.036 -10.821 -7.629 1.00 0.00 H new ATOM 0 HE2 LYS 1 75 9.928 -11.586 -8.037 1.00 0.00 H new ATOM 0 HE3 LYS 1 75 8.672 -12.534 -8.808 1.00 0.00 H new ATOM 0 HZ1 LYS 1 75 9.440 -10.781 -10.260 1.00 0.00 H new ATOM 0 HZ2 LYS 1 75 7.820 -10.500 -9.837 1.00 0.00 H new ATOM 0 HZ3 LYS 1 75 9.057 -9.596 -9.105 1.00 0.00 H new ATOM 1051 N SER 1 76 6.026 -6.233 -5.807 1.00 0.00 N ATOM 1052 CA SER 1 76 5.567 -4.925 -6.263 1.00 0.00 C ATOM 1053 C SER 1 76 4.188 -4.593 -5.700 1.00 0.00 C ATOM 1054 O SER 1 76 3.518 -5.449 -5.122 1.00 0.00 O ATOM 1055 CB SER 1 76 5.528 -4.881 -7.791 1.00 0.00 C ATOM 1056 OG SER 1 76 5.181 -3.589 -8.257 1.00 0.00 O ATOM 0 H SER 1 76 5.320 -6.785 -5.320 1.00 0.00 H new ATOM 0 HA SER 1 76 6.273 -4.179 -5.898 1.00 0.00 H new ATOM 0 HB2 SER 1 76 6.501 -5.165 -8.191 1.00 0.00 H new ATOM 0 HB3 SER 1 76 4.806 -5.610 -8.160 1.00 0.00 H new ATOM 0 HG SER 1 76 4.968 -3.632 -9.213 1.00 0.00 H new ATOM 1062 N SER 1 77 3.772 -3.342 -5.879 1.00 0.00 N ATOM 1063 CA SER 1 77 2.471 -2.885 -5.397 1.00 0.00 C ATOM 1064 C SER 1 77 1.378 -3.130 -6.436 1.00 0.00 C ATOM 1065 O SER 1 77 0.256 -2.645 -6.292 1.00 0.00 O ATOM 1066 CB SER 1 77 2.530 -1.397 -5.045 1.00 0.00 C ATOM 1067 OG SER 1 77 1.695 -1.101 -3.939 1.00 0.00 O ATOM 0 H SER 1 77 4.319 -2.625 -6.356 1.00 0.00 H new ATOM 0 HA SER 1 77 2.226 -3.458 -4.502 1.00 0.00 H new ATOM 0 HB2 SER 1 77 3.557 -1.115 -4.815 1.00 0.00 H new ATOM 0 HB3 SER 1 77 2.222 -0.804 -5.906 1.00 0.00 H new ATOM 0 HG SER 1 77 1.524 -0.137 -3.907 1.00 0.00 H new ATOM 1073 N ASP 1 78 1.708 -3.890 -7.477 1.00 0.00 N ATOM 1074 CA ASP 1 78 0.748 -4.200 -8.527 1.00 0.00 C ATOM 1075 C ASP 1 78 0.346 -5.670 -8.470 1.00 0.00 C ATOM 1076 O ASP 1 78 1.165 -6.538 -8.168 1.00 0.00 O ATOM 1077 CB ASP 1 78 1.336 -3.871 -9.901 1.00 0.00 C ATOM 1078 CG ASP 1 78 2.732 -4.434 -10.082 1.00 0.00 C ATOM 1079 OD1 ASP 1 78 2.880 -5.674 -10.057 1.00 0.00 O ATOM 1080 OD2 ASP 1 78 3.677 -3.635 -10.249 1.00 0.00 O ATOM 0 H ASP 1 78 2.632 -4.301 -7.614 1.00 0.00 H new ATOM 0 HA ASP 1 78 -0.141 -3.589 -8.368 1.00 0.00 H new ATOM 0 HB2 ASP 1 78 0.683 -4.269 -10.677 1.00 0.00 H new ATOM 0 HB3 ASP 1 78 1.364 -2.789 -10.032 1.00 0.00 H new ATOM 1085 N CYS 1 79 -0.922 -5.942 -8.756 1.00 0.00 N ATOM 1086 CA CYS 1 79 -1.438 -7.305 -8.731 1.00 0.00 C ATOM 1087 C CYS 1 79 -1.947 -7.721 -10.114 1.00 0.00 C ATOM 1088 O CYS 1 79 -3.043 -7.333 -10.518 1.00 0.00 O ATOM 1089 CB CYS 1 79 -2.565 -7.414 -7.700 1.00 0.00 C ATOM 1090 SG CYS 1 79 -2.393 -8.834 -6.574 1.00 0.00 S ATOM 0 H CYS 1 79 -1.613 -5.235 -9.008 1.00 0.00 H new ATOM 0 HA CYS 1 79 -0.627 -7.977 -8.451 1.00 0.00 H new ATOM 0 HB2 CYS 1 79 -2.597 -6.497 -7.112 1.00 0.00 H new ATOM 0 HB3 CYS 1 79 -3.518 -7.490 -8.223 1.00 0.00 H new ATOM 1095 N PRO 1 80 -1.160 -8.521 -10.862 1.00 0.00 N ATOM 1096 CA PRO 1 80 -1.551 -8.983 -12.201 1.00 0.00 C ATOM 1097 C PRO 1 80 -2.845 -9.787 -12.171 1.00 0.00 C ATOM 1098 O PRO 1 80 -3.097 -10.529 -11.224 1.00 0.00 O ATOM 1099 CB PRO 1 80 -0.378 -9.865 -12.647 1.00 0.00 C ATOM 1100 CG PRO 1 80 0.352 -10.208 -11.393 1.00 0.00 C ATOM 1101 CD PRO 1 80 0.161 -9.040 -10.469 1.00 0.00 C ATOM 0 HA PRO 1 80 -1.743 -8.150 -12.877 1.00 0.00 H new ATOM 0 HB2 PRO 1 80 -0.731 -10.762 -13.155 1.00 0.00 H new ATOM 0 HB3 PRO 1 80 0.269 -9.336 -13.347 1.00 0.00 H new ATOM 0 HG2 PRO 1 80 -0.041 -11.123 -10.951 1.00 0.00 H new ATOM 0 HG3 PRO 1 80 1.410 -10.379 -11.592 1.00 0.00 H new ATOM 0 HD2 PRO 1 80 0.180 -9.345 -9.423 1.00 0.00 H new ATOM 0 HD3 PRO 1 80 0.943 -8.292 -10.597 1.00 0.00 H new ATOM 1109 N TRP 1 81 -3.659 -9.640 -13.215 1.00 0.00 N ATOM 1110 CA TRP 1 81 -4.930 -10.352 -13.305 1.00 0.00 C ATOM 1111 C TRP 1 81 -4.713 -11.782 -13.766 1.00 0.00 C ATOM 1112 O TRP 1 81 -5.468 -12.686 -13.414 1.00 0.00 O ATOM 1113 CB TRP 1 81 -5.895 -9.686 -14.291 1.00 0.00 C ATOM 1114 CG TRP 1 81 -5.929 -8.184 -14.287 1.00 0.00 C ATOM 1115 CD1 TRP 1 81 -4.898 -7.303 -14.109 1.00 0.00 C ATOM 1116 CD2 TRP 1 81 -7.092 -7.393 -14.511 1.00 0.00 C ATOM 1117 NE1 TRP 1 81 -5.363 -6.012 -14.197 1.00 0.00 N ATOM 1118 CE2 TRP 1 81 -6.709 -6.044 -14.445 1.00 0.00 C ATOM 1119 CE3 TRP 1 81 -8.424 -7.708 -14.757 1.00 0.00 C ATOM 1120 CZ2 TRP 1 81 -7.619 -5.007 -14.619 1.00 0.00 C ATOM 1121 CZ3 TRP 1 81 -9.331 -6.680 -14.931 1.00 0.00 C ATOM 1122 CH2 TRP 1 81 -8.924 -5.341 -14.862 1.00 0.00 C ATOM 0 H TRP 1 81 -3.460 -9.033 -14.010 1.00 0.00 H new ATOM 0 HA TRP 1 81 -5.363 -10.330 -12.305 1.00 0.00 H new ATOM 0 HB2 TRP 1 81 -5.638 -10.018 -15.297 1.00 0.00 H new ATOM 0 HB3 TRP 1 81 -6.901 -10.050 -14.082 1.00 0.00 H new ATOM 0 HD1 TRP 1 81 -3.870 -7.580 -13.926 1.00 0.00 H new ATOM 0 HE1 TRP 1 81 -4.798 -5.169 -14.094 1.00 0.00 H new ATOM 0 HE3 TRP 1 81 -8.744 -8.738 -14.811 1.00 0.00 H new ATOM 0 HZ2 TRP 1 81 -7.307 -3.974 -14.564 1.00 0.00 H new ATOM 0 HZ3 TRP 1 81 -10.368 -6.912 -15.123 1.00 0.00 H new ATOM 0 HH2 TRP 1 81 -9.654 -4.558 -15.003 1.00 0.00 H new ATOM 1133 N ASN 1 82 -3.692 -11.955 -14.590 1.00 0.00 N ATOM 1134 CA ASN 1 82 -3.348 -13.249 -15.166 1.00 0.00 C ATOM 1135 C ASN 1 82 -4.162 -13.481 -16.434 1.00 0.00 C ATOM 1136 O ASN 1 82 -4.466 -14.617 -16.796 1.00 0.00 O ATOM 1137 CB ASN 1 82 -3.589 -14.385 -14.166 1.00 0.00 C ATOM 1138 CG ASN 1 82 -2.816 -15.641 -14.518 1.00 0.00 C ATOM 1139 OD1 ASN 1 82 -2.176 -16.240 -13.521 1.00 0.00 O flip ATOM 1140 ND2 ASN 1 82 -2.794 -16.068 -15.672 1.00 0.00 N flip ATOM 0 H ASN 1 82 -3.074 -11.198 -14.881 1.00 0.00 H new ATOM 0 HA ASN 1 82 -2.286 -13.243 -15.413 1.00 0.00 H new ATOM 0 HB2 ASN 1 82 -3.302 -14.053 -13.168 1.00 0.00 H new ATOM 0 HB3 ASN 1 82 -4.654 -14.615 -14.132 1.00 0.00 H new ATOM 0 HD21 ASN 1 82 -3.301 -15.576 -16.408 1.00 0.00 H new ATOM 0 HD22 ASN 1 82 -2.269 -16.914 -15.893 1.00 0.00 H new ATOM 1147 N HIS 1 83 -4.515 -12.384 -17.101 1.00 0.00 N ATOM 1148 CA HIS 1 83 -5.301 -12.443 -18.325 1.00 0.00 C ATOM 1149 C HIS 1 83 -4.475 -12.001 -19.528 1.00 0.00 C ATOM 1150 O HIS 1 83 -4.235 -12.840 -20.421 1.00 0.00 O ATOM 1151 CB HIS 1 83 -6.544 -11.562 -18.188 1.00 0.00 C ATOM 1152 CG HIS 1 83 -7.591 -12.158 -17.303 1.00 0.00 C ATOM 1153 ND1 HIS 1 83 -7.746 -12.112 -15.959 1.00 0.00 N flip ATOM 1154 CD2 HIS 1 83 -8.633 -12.923 -17.780 1.00 0.00 C flip ATOM 1155 CE1 HIS 1 83 -8.867 -12.842 -15.653 1.00 0.00 C flip ATOM 1156 NE2 HIS 1 83 -9.383 -13.320 -16.769 1.00 0.00 N flip ATOM 1157 OXT HIS 1 83 -4.075 -10.818 -19.567 1.00 0.00 O ATOM 0 H HIS 1 83 -4.266 -11.439 -16.809 1.00 0.00 H new ATOM 0 HA HIS 1 83 -5.608 -13.476 -18.486 1.00 0.00 H new ATOM 0 HB2 HIS 1 83 -6.251 -10.590 -17.791 1.00 0.00 H new ATOM 0 HB3 HIS 1 83 -6.969 -11.387 -19.176 1.00 0.00 H new ATOM 0 HD2 HIS 1 83 -8.809 -13.161 -18.819 1.00 0.00 H new ATOM 0 HE1 HIS 1 83 -9.262 -12.999 -14.660 1.00 0.00 H new ATOM 0 HE2 HIS 1 83 -10.220 -13.899 -16.839 1.00 0.00 H new