USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=15 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= -0.508 F(o=-8.1,f=-5.8) USER MOD Set 1.2: 1 83 HIS : no HE2:sc= -5.25! C(o=-5.8!,f=-7.2!) USER MOD Set 2.1: 1 30 ASN :FLIP amide:sc= -9.48! C(o=-14!,f=-13!) USER MOD Set 2.2: 1 33 THR OG1 : rot -140:sc= -3.77! USER MOD Single : 1 7 ASN : amide:sc= -0.0171 X(o=-0.017,f=0) USER MOD Single : 1 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 12 GLN : amide:sc= -7.09! C(o=-7.1!,f=-15!) USER MOD Single : 1 20 SER OG : rot -4:sc= 0.954 USER MOD Single : 1 23 ASN :FLIP amide:sc= -0.9 F(o=-2.1,f=-0.9) USER MOD Single : 1 25 GLN : amide:sc= -2.33 K(o=-2.3,f=-3.5!) USER MOD Single : 1 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 37 THR OG1 : rot -158:sc= -2.77! USER MOD Single : 1 40 SER OG : rot 180:sc= 0 USER MOD Single : 1 41 GLN : amide:sc= 0.415 K(o=0.41,f=-3.3!) USER MOD Single : 1 43 ASN : amide:sc= -3.33 K(o=-3.3,f=-6.2!) 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+ -142:sc= 0.0636 (180deg=0) USER MOD Single : 1 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 58 THR OG1 : rot 75:sc= 0.738 USER MOD Single : 1 71 TYR OH : rot 180:sc= 0 USER MOD Single : 1 73 THR OG1 : rot 180:sc= 0 USER MOD Single : 1 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 76 SER OG : rot 43:sc= 1.21 USER MOD Single : 1 77 SER OG : rot 180:sc=0.000401 USER MOD Single : 1 82 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 42 N VAL 1 4 -2.098 17.089 12.970 1.00 0.00 N ATOM 43 CA VAL 1 4 -1.834 16.236 11.861 1.00 0.00 C ATOM 44 C VAL 1 4 -0.531 16.693 11.198 1.00 0.00 C ATOM 45 O VAL 1 4 -0.515 17.587 10.354 1.00 0.00 O ATOM 46 CB VAL 1 4 -3.037 16.253 10.894 1.00 0.00 C ATOM 47 CG1 VAL 1 4 -3.095 17.541 10.089 1.00 0.00 C ATOM 48 CG2 VAL 1 4 -3.021 15.038 9.995 1.00 0.00 C ATOM 0 HA VAL 1 4 -1.704 15.202 12.180 1.00 0.00 H new ATOM 0 HB VAL 1 4 -3.945 16.214 11.495 1.00 0.00 H new ATOM 0 HG11 VAL 1 4 -3.955 17.514 9.420 1.00 0.00 H new ATOM 0 HG12 VAL 1 4 -3.189 18.390 10.767 1.00 0.00 H new ATOM 0 HG13 VAL 1 4 -2.183 17.644 9.502 1.00 0.00 H new ATOM 0 HG21 VAL 1 4 -3.878 15.072 9.322 1.00 0.00 H new ATOM 0 HG22 VAL 1 4 -2.101 15.030 9.410 1.00 0.00 H new ATOM 0 HG23 VAL 1 4 -3.072 14.135 10.603 1.00 0.00 H new ATOM 58 N CYS 1 5 0.575 16.101 11.639 1.00 0.00 N ATOM 59 CA CYS 1 5 1.899 16.472 11.139 1.00 0.00 C ATOM 60 C CYS 1 5 2.046 16.094 9.673 1.00 0.00 C ATOM 61 O CYS 1 5 2.324 14.946 9.334 1.00 0.00 O ATOM 62 CB CYS 1 5 3.002 15.790 11.966 1.00 0.00 C ATOM 63 SG CYS 1 5 2.646 14.056 12.423 1.00 0.00 S ATOM 0 H CYS 1 5 0.583 15.362 12.342 1.00 0.00 H new ATOM 0 HA CYS 1 5 2.003 17.553 11.235 1.00 0.00 H new ATOM 0 HB2 CYS 1 5 3.933 15.819 11.400 1.00 0.00 H new ATOM 0 HB3 CYS 1 5 3.164 16.366 12.877 1.00 0.00 H new ATOM 68 N GLY 1 6 1.832 17.082 8.808 1.00 0.00 N ATOM 69 CA GLY 1 6 1.913 16.862 7.377 1.00 0.00 C ATOM 70 C GLY 1 6 0.537 16.787 6.739 1.00 0.00 C ATOM 71 O GLY 1 6 0.388 16.293 5.622 1.00 0.00 O ATOM 0 H GLY 1 6 1.602 18.038 9.078 1.00 0.00 H new ATOM 0 HA2 GLY 1 6 2.483 17.669 6.917 1.00 0.00 H new ATOM 0 HA3 GLY 1 6 2.455 15.937 7.182 1.00 0.00 H new ATOM 75 N ASN 1 7 -0.473 17.274 7.463 1.00 0.00 N ATOM 76 CA ASN 1 7 -1.852 17.257 6.985 1.00 0.00 C ATOM 77 C ASN 1 7 -2.316 15.828 6.746 1.00 0.00 C ATOM 78 O ASN 1 7 -1.665 15.070 6.027 1.00 0.00 O ATOM 79 CB ASN 1 7 -1.997 18.065 5.693 1.00 0.00 C ATOM 80 CG ASN 1 7 -2.248 19.537 5.955 1.00 0.00 C ATOM 81 OD1 ASN 1 7 -1.398 20.383 5.677 1.00 0.00 O ATOM 82 ND2 ASN 1 7 -3.421 19.851 6.494 1.00 0.00 N ATOM 0 H ASN 1 7 -0.357 17.687 8.388 1.00 0.00 H new ATOM 0 HA ASN 1 7 -2.475 17.714 7.754 1.00 0.00 H new ATOM 0 HB2 ASN 1 7 -1.092 17.955 5.096 1.00 0.00 H new ATOM 0 HB3 ASN 1 7 -2.819 17.659 5.104 1.00 0.00 H new ATOM 0 HD21 ASN 1 7 -3.646 20.826 6.693 1.00 0.00 H new ATOM 0 HD22 ASN 1 7 -4.096 19.117 6.708 1.00 0.00 H new ATOM 89 N LYS 1 8 -3.440 15.459 7.356 1.00 0.00 N ATOM 90 CA LYS 1 8 -3.982 14.111 7.209 1.00 0.00 C ATOM 91 C LYS 1 8 -3.913 13.674 5.756 1.00 0.00 C ATOM 92 O LYS 1 8 -4.739 14.086 4.941 1.00 0.00 O ATOM 93 CB LYS 1 8 -5.429 14.059 7.704 1.00 0.00 C ATOM 94 CG LYS 1 8 -5.769 12.783 8.456 1.00 0.00 C ATOM 95 CD LYS 1 8 -5.932 11.605 7.509 1.00 0.00 C ATOM 96 CE LYS 1 8 -7.040 10.670 7.968 1.00 0.00 C ATOM 97 NZ LYS 1 8 -6.828 9.278 7.484 1.00 0.00 N ATOM 0 H LYS 1 8 -3.992 16.073 7.955 1.00 0.00 H new ATOM 0 HA LYS 1 8 -3.382 13.429 7.812 1.00 0.00 H new ATOM 0 HB2 LYS 1 8 -5.613 14.914 8.354 1.00 0.00 H new ATOM 0 HB3 LYS 1 8 -6.100 14.158 6.851 1.00 0.00 H new ATOM 0 HG2 LYS 1 8 -4.982 12.564 9.178 1.00 0.00 H new ATOM 0 HG3 LYS 1 8 -6.690 12.927 9.021 1.00 0.00 H new ATOM 0 HD2 LYS 1 8 -6.155 11.971 6.507 1.00 0.00 H new ATOM 0 HD3 LYS 1 8 -4.993 11.055 7.446 1.00 0.00 H new ATOM 0 HE2 LYS 1 8 -7.089 10.672 9.057 1.00 0.00 H new ATOM 0 HE3 LYS 1 8 -7.999 11.038 7.605 1.00 0.00 H new ATOM 0 HZ1 LYS 1 8 -7.605 8.672 7.818 1.00 0.00 H new ATOM 0 HZ2 LYS 1 8 -6.807 9.271 6.444 1.00 0.00 H new ATOM 0 HZ3 LYS 1 8 -5.925 8.917 7.851 1.00 0.00 H new ATOM 111 N ILE 1 9 -2.910 12.862 5.423 1.00 0.00 N ATOM 112 CA ILE 1 9 -2.754 12.417 4.034 1.00 0.00 C ATOM 113 C ILE 1 9 -4.083 11.964 3.456 1.00 0.00 C ATOM 114 O ILE 1 9 -4.756 11.092 4.004 1.00 0.00 O ATOM 115 CB ILE 1 9 -1.702 11.304 3.844 1.00 0.00 C ATOM 116 CG1 ILE 1 9 -1.849 10.197 4.884 1.00 0.00 C ATOM 117 CG2 ILE 1 9 -0.311 11.902 3.904 1.00 0.00 C ATOM 118 CD1 ILE 1 9 -2.922 9.184 4.547 1.00 0.00 C ATOM 0 H ILE 1 9 -2.210 12.506 6.074 1.00 0.00 H new ATOM 0 HA ILE 1 9 -2.388 13.290 3.494 1.00 0.00 H new ATOM 0 HB ILE 1 9 -1.864 10.852 2.866 1.00 0.00 H new ATOM 0 HG12 ILE 1 9 -0.895 9.681 4.990 1.00 0.00 H new ATOM 0 HG13 ILE 1 9 -2.077 10.647 5.850 1.00 0.00 H new ATOM 0 HG21 ILE 1 9 0.430 11.114 3.770 1.00 0.00 H new ATOM 0 HG22 ILE 1 9 -0.199 12.644 3.113 1.00 0.00 H new ATOM 0 HG23 ILE 1 9 -0.162 12.379 4.873 1.00 0.00 H new ATOM 0 HD11 ILE 1 9 -2.968 8.428 5.331 1.00 0.00 H new ATOM 0 HD12 ILE 1 9 -3.886 9.687 4.470 1.00 0.00 H new ATOM 0 HD13 ILE 1 9 -2.686 8.706 3.596 1.00 0.00 H new ATOM 130 N LEU 1 10 -4.466 12.597 2.359 1.00 0.00 N ATOM 131 CA LEU 1 10 -5.729 12.301 1.707 1.00 0.00 C ATOM 132 C LEU 1 10 -5.590 11.203 0.658 1.00 0.00 C ATOM 133 O LEU 1 10 -6.508 10.964 -0.125 1.00 0.00 O ATOM 134 CB LEU 1 10 -6.298 13.581 1.084 1.00 0.00 C ATOM 135 CG LEU 1 10 -5.334 14.393 0.201 1.00 0.00 C ATOM 136 CD1 LEU 1 10 -4.554 15.396 1.039 1.00 0.00 C ATOM 137 CD2 LEU 1 10 -4.384 13.486 -0.570 1.00 0.00 C ATOM 0 H LEU 1 10 -3.916 13.323 1.900 1.00 0.00 H new ATOM 0 HA LEU 1 10 -6.420 11.928 2.463 1.00 0.00 H new ATOM 0 HB2 LEU 1 10 -7.168 13.313 0.485 1.00 0.00 H new ATOM 0 HB3 LEU 1 10 -6.651 14.226 1.889 1.00 0.00 H new ATOM 0 HG LEU 1 10 -5.934 14.939 -0.527 1.00 0.00 H new ATOM 0 HD11 LEU 1 10 -3.878 15.960 0.396 1.00 0.00 H new ATOM 0 HD12 LEU 1 10 -5.248 16.081 1.526 1.00 0.00 H new ATOM 0 HD13 LEU 1 10 -3.976 14.866 1.796 1.00 0.00 H new ATOM 0 HD21 LEU 1 10 -3.718 14.094 -1.183 1.00 0.00 H new ATOM 0 HD22 LEU 1 10 -3.794 12.896 0.132 1.00 0.00 H new ATOM 0 HD23 LEU 1 10 -4.959 12.818 -1.212 1.00 0.00 H new ATOM 149 N GLU 1 11 -4.442 10.536 0.656 1.00 0.00 N ATOM 150 CA GLU 1 11 -4.174 9.453 -0.293 1.00 0.00 C ATOM 151 C GLU 1 11 -2.718 8.996 -0.230 1.00 0.00 C ATOM 152 O GLU 1 11 -2.113 8.702 -1.261 1.00 0.00 O ATOM 153 CB GLU 1 11 -4.487 9.904 -1.722 1.00 0.00 C ATOM 154 CG GLU 1 11 -3.591 11.034 -2.204 1.00 0.00 C ATOM 155 CD GLU 1 11 -2.559 10.571 -3.214 1.00 0.00 C ATOM 156 OE1 GLU 1 11 -2.847 9.613 -3.961 1.00 0.00 O ATOM 157 OE2 GLU 1 11 -1.462 11.168 -3.258 1.00 0.00 O ATOM 0 H GLU 1 11 -3.676 10.725 1.303 1.00 0.00 H new ATOM 0 HA GLU 1 11 -4.817 8.618 -0.015 1.00 0.00 H new ATOM 0 HB2 GLU 1 11 -4.382 9.053 -2.396 1.00 0.00 H new ATOM 0 HB3 GLU 1 11 -5.527 10.226 -1.775 1.00 0.00 H new ATOM 0 HG2 GLU 1 11 -4.206 11.815 -2.651 1.00 0.00 H new ATOM 0 HG3 GLU 1 11 -3.082 11.479 -1.349 1.00 0.00 H new ATOM 164 N GLN 1 12 -2.147 8.941 0.970 1.00 0.00 N ATOM 165 CA GLN 1 12 -0.755 8.524 1.112 1.00 0.00 C ATOM 166 C GLN 1 12 -0.609 7.283 1.998 1.00 0.00 C ATOM 167 O GLN 1 12 -0.592 6.158 1.499 1.00 0.00 O ATOM 168 CB GLN 1 12 0.096 9.673 1.663 1.00 0.00 C ATOM 169 CG GLN 1 12 -0.157 11.021 1.000 1.00 0.00 C ATOM 170 CD GLN 1 12 0.082 11.007 -0.498 1.00 0.00 C ATOM 171 OE1 GLN 1 12 -0.007 9.965 -1.146 1.00 0.00 O ATOM 172 NE2 GLN 1 12 0.390 12.172 -1.057 1.00 0.00 N ATOM 0 H GLN 1 12 -2.617 9.175 1.845 1.00 0.00 H new ATOM 0 HA GLN 1 12 -0.397 8.258 0.118 1.00 0.00 H new ATOM 0 HB2 GLN 1 12 -0.092 9.767 2.732 1.00 0.00 H new ATOM 0 HB3 GLN 1 12 1.149 9.417 1.546 1.00 0.00 H new ATOM 0 HG2 GLN 1 12 -1.185 11.326 1.194 1.00 0.00 H new ATOM 0 HG3 GLN 1 12 0.490 11.770 1.457 1.00 0.00 H new ATOM 0 HE21 GLN 1 12 0.453 13.012 -0.482 1.00 0.00 H new ATOM 0 HE22 GLN 1 12 0.563 12.226 -2.061 1.00 0.00 H new ATOM 181 N GLY 1 13 -0.476 7.489 3.307 1.00 0.00 N ATOM 182 CA GLY 1 13 -0.300 6.372 4.220 1.00 0.00 C ATOM 183 C GLY 1 13 1.100 5.790 4.128 1.00 0.00 C ATOM 184 O GLY 1 13 1.321 4.630 4.473 1.00 0.00 O ATOM 0 H GLY 1 13 -0.487 8.408 3.750 1.00 0.00 H new ATOM 0 HA2 GLY 1 13 -0.491 6.702 5.241 1.00 0.00 H new ATOM 0 HA3 GLY 1 13 -1.032 5.597 3.993 1.00 0.00 H new ATOM 188 N GLU 1 14 2.035 6.615 3.646 1.00 0.00 N ATOM 189 CA GLU 1 14 3.444 6.238 3.465 1.00 0.00 C ATOM 190 C GLU 1 14 4.041 7.040 2.318 1.00 0.00 C ATOM 191 O GLU 1 14 5.256 7.220 2.234 1.00 0.00 O ATOM 192 CB GLU 1 14 3.603 4.741 3.181 1.00 0.00 C ATOM 193 CG GLU 1 14 3.931 3.914 4.414 1.00 0.00 C ATOM 194 CD GLU 1 14 3.145 2.619 4.476 1.00 0.00 C ATOM 195 OE1 GLU 1 14 3.413 1.721 3.650 1.00 0.00 O ATOM 196 OE2 GLU 1 14 2.260 2.503 5.350 1.00 0.00 O ATOM 0 H GLU 1 14 1.834 7.575 3.367 1.00 0.00 H new ATOM 0 HA GLU 1 14 3.970 6.458 4.394 1.00 0.00 H new ATOM 0 HB2 GLU 1 14 2.681 4.365 2.737 1.00 0.00 H new ATOM 0 HB3 GLU 1 14 4.392 4.603 2.442 1.00 0.00 H new ATOM 0 HG2 GLU 1 14 4.997 3.688 4.422 1.00 0.00 H new ATOM 0 HG3 GLU 1 14 3.724 4.503 5.307 1.00 0.00 H new ATOM 203 N ASP 1 15 3.170 7.528 1.442 1.00 0.00 N ATOM 204 CA ASP 1 15 3.589 8.321 0.301 1.00 0.00 C ATOM 205 C ASP 1 15 4.406 9.525 0.751 1.00 0.00 C ATOM 206 O ASP 1 15 5.577 9.659 0.397 1.00 0.00 O ATOM 207 CB ASP 1 15 2.363 8.790 -0.478 1.00 0.00 C ATOM 208 CG ASP 1 15 2.562 8.712 -1.979 1.00 0.00 C ATOM 209 OD1 ASP 1 15 3.343 7.848 -2.430 1.00 0.00 O ATOM 210 OD2 ASP 1 15 1.937 9.515 -2.703 1.00 0.00 O ATOM 0 H ASP 1 15 2.162 7.385 1.505 1.00 0.00 H new ATOM 0 HA ASP 1 15 4.214 7.701 -0.342 1.00 0.00 H new ATOM 0 HB2 ASP 1 15 1.504 8.181 -0.197 1.00 0.00 H new ATOM 0 HB3 ASP 1 15 2.131 9.818 -0.199 1.00 0.00 H new ATOM 215 N CYS 1 16 3.777 10.403 1.531 1.00 0.00 N ATOM 216 CA CYS 1 16 4.448 11.599 2.024 1.00 0.00 C ATOM 217 C CYS 1 16 3.465 12.549 2.707 1.00 0.00 C ATOM 218 O CYS 1 16 2.353 12.768 2.225 1.00 0.00 O ATOM 219 CB CYS 1 16 5.158 12.307 0.863 1.00 0.00 C ATOM 220 SG CYS 1 16 5.265 14.125 1.019 1.00 0.00 S ATOM 0 H CYS 1 16 2.807 10.307 1.833 1.00 0.00 H new ATOM 0 HA CYS 1 16 5.184 11.297 2.769 1.00 0.00 H new ATOM 0 HB2 CYS 1 16 6.167 11.905 0.774 1.00 0.00 H new ATOM 0 HB3 CYS 1 16 4.636 12.067 -0.063 1.00 0.00 H new ATOM 225 N ASP 1 17 3.898 13.117 3.829 1.00 0.00 N ATOM 226 CA ASP 1 17 3.087 14.057 4.594 1.00 0.00 C ATOM 227 C ASP 1 17 1.953 13.336 5.303 1.00 0.00 C ATOM 228 O ASP 1 17 0.845 13.860 5.399 1.00 0.00 O ATOM 229 CB ASP 1 17 2.526 15.152 3.680 1.00 0.00 C ATOM 230 CG ASP 1 17 2.746 16.543 4.242 1.00 0.00 C ATOM 231 OD1 ASP 1 17 3.740 16.737 4.972 1.00 0.00 O ATOM 232 OD2 ASP 1 17 1.924 17.437 3.951 1.00 0.00 O ATOM 0 H ASP 1 17 4.818 12.939 4.232 1.00 0.00 H new ATOM 0 HA ASP 1 17 3.726 14.522 5.345 1.00 0.00 H new ATOM 0 HB2 ASP 1 17 2.998 15.080 2.700 1.00 0.00 H new ATOM 0 HB3 ASP 1 17 1.459 14.987 3.533 1.00 0.00 H new ATOM 237 N CYS 1 18 2.249 12.126 5.790 1.00 0.00 N ATOM 238 CA CYS 1 18 1.267 11.287 6.494 1.00 0.00 C ATOM 239 C CYS 1 18 0.246 12.115 7.267 1.00 0.00 C ATOM 240 O CYS 1 18 -0.918 11.730 7.372 1.00 0.00 O ATOM 241 CB CYS 1 18 1.962 10.318 7.458 1.00 0.00 C ATOM 242 SG CYS 1 18 3.460 9.529 6.786 1.00 0.00 S ATOM 0 H CYS 1 18 3.172 11.700 5.709 1.00 0.00 H new ATOM 0 HA CYS 1 18 0.739 10.723 5.725 1.00 0.00 H new ATOM 0 HB2 CYS 1 18 2.228 10.858 8.367 1.00 0.00 H new ATOM 0 HB3 CYS 1 18 1.254 9.540 7.744 1.00 0.00 H new ATOM 247 N GLY 1 19 0.681 13.245 7.814 1.00 0.00 N ATOM 248 CA GLY 1 19 -0.227 14.078 8.570 1.00 0.00 C ATOM 249 C GLY 1 19 -0.632 13.427 9.863 1.00 0.00 C ATOM 250 O GLY 1 19 -0.202 13.841 10.936 1.00 0.00 O ATOM 0 H GLY 1 19 1.637 13.594 7.747 1.00 0.00 H new ATOM 0 HA2 GLY 1 19 0.247 15.037 8.778 1.00 0.00 H new ATOM 0 HA3 GLY 1 19 -1.115 14.284 7.972 1.00 0.00 H new ATOM 254 N SER 1 20 -1.471 12.404 9.765 1.00 0.00 N ATOM 255 CA SER 1 20 -1.941 11.709 10.946 1.00 0.00 C ATOM 256 C SER 1 20 -0.770 11.278 11.820 1.00 0.00 C ATOM 257 O SER 1 20 -0.024 10.357 11.487 1.00 0.00 O ATOM 258 CB SER 1 20 -2.806 10.518 10.564 1.00 0.00 C ATOM 259 OG SER 1 20 -2.016 9.386 10.242 1.00 0.00 O ATOM 0 H SER 1 20 -1.836 12.042 8.884 1.00 0.00 H new ATOM 0 HA SER 1 20 -2.557 12.398 11.525 1.00 0.00 H new ATOM 0 HB2 SER 1 20 -3.475 10.273 11.389 1.00 0.00 H new ATOM 0 HB3 SER 1 20 -3.433 10.780 9.712 1.00 0.00 H new ATOM 0 HG SER 1 20 -1.067 9.631 10.268 1.00 0.00 H new ATOM 265 N PRO 1 21 -0.595 11.978 12.947 1.00 0.00 N ATOM 266 CA PRO 1 21 0.492 11.726 13.893 1.00 0.00 C ATOM 267 C PRO 1 21 0.602 10.264 14.292 1.00 0.00 C ATOM 268 O PRO 1 21 1.672 9.803 14.690 1.00 0.00 O ATOM 269 CB PRO 1 21 0.126 12.603 15.091 1.00 0.00 C ATOM 270 CG PRO 1 21 -0.674 13.714 14.502 1.00 0.00 C ATOM 271 CD PRO 1 21 -1.445 13.099 13.368 1.00 0.00 C ATOM 0 HA PRO 1 21 1.467 11.958 13.465 1.00 0.00 H new ATOM 0 HB2 PRO 1 21 -0.450 12.046 15.830 1.00 0.00 H new ATOM 0 HB3 PRO 1 21 1.016 12.978 15.596 1.00 0.00 H new ATOM 0 HG2 PRO 1 21 -1.346 14.149 15.242 1.00 0.00 H new ATOM 0 HG3 PRO 1 21 -0.028 14.517 14.147 1.00 0.00 H new ATOM 0 HD2 PRO 1 21 -2.429 12.758 13.689 1.00 0.00 H new ATOM 0 HD3 PRO 1 21 -1.603 13.810 12.557 1.00 0.00 H new ATOM 279 N ALA 1 22 -0.494 9.526 14.164 1.00 0.00 N ATOM 280 CA ALA 1 22 -0.485 8.108 14.493 1.00 0.00 C ATOM 281 C ALA 1 22 0.609 7.392 13.705 1.00 0.00 C ATOM 282 O ALA 1 22 1.058 6.310 14.083 1.00 0.00 O ATOM 283 CB ALA 1 22 -1.843 7.486 14.201 1.00 0.00 C ATOM 0 H ALA 1 22 -1.392 9.883 13.838 1.00 0.00 H new ATOM 0 HA ALA 1 22 -0.278 7.998 15.557 1.00 0.00 H new ATOM 0 HB1 ALA 1 22 -1.819 6.426 14.452 1.00 0.00 H new ATOM 0 HB2 ALA 1 22 -2.607 7.984 14.798 1.00 0.00 H new ATOM 0 HB3 ALA 1 22 -2.077 7.603 13.143 1.00 0.00 H new ATOM 289 N ASN 1 23 1.032 8.012 12.603 1.00 0.00 N ATOM 290 CA ASN 1 23 2.068 7.451 11.752 1.00 0.00 C ATOM 291 C ASN 1 23 3.249 8.416 11.603 1.00 0.00 C ATOM 292 O ASN 1 23 4.047 8.288 10.674 1.00 0.00 O ATOM 293 CB ASN 1 23 1.482 7.121 10.377 1.00 0.00 C ATOM 294 CG ASN 1 23 1.628 5.656 10.017 1.00 0.00 C ATOM 295 OD1 ASN 1 23 2.769 5.071 10.360 1.00 0.00 O flip ATOM 296 ND2 ASN 1 23 0.723 5.055 9.437 1.00 0.00 N flip ATOM 0 H ASN 1 23 0.667 8.909 12.282 1.00 0.00 H new ATOM 0 HA ASN 1 23 2.439 6.539 12.219 1.00 0.00 H new ATOM 0 HB2 ASN 1 23 0.426 7.391 10.362 1.00 0.00 H new ATOM 0 HB3 ASN 1 23 1.978 7.728 9.620 1.00 0.00 H new ATOM 0 HD21 ASN 1 23 -0.138 5.543 9.192 1.00 0.00 H new ATOM 0 HD22 ASN 1 23 0.835 4.069 9.202 1.00 0.00 H new ATOM 303 N CYS 1 24 3.359 9.379 12.519 1.00 0.00 N ATOM 304 CA CYS 1 24 4.449 10.355 12.477 1.00 0.00 C ATOM 305 C CYS 1 24 5.763 9.714 12.916 1.00 0.00 C ATOM 306 O CYS 1 24 6.182 9.858 14.064 1.00 0.00 O ATOM 307 CB CYS 1 24 4.129 11.562 13.370 1.00 0.00 C ATOM 308 SG CYS 1 24 4.476 13.185 12.603 1.00 0.00 S ATOM 0 H CYS 1 24 2.710 9.504 13.296 1.00 0.00 H new ATOM 0 HA CYS 1 24 4.555 10.699 11.448 1.00 0.00 H new ATOM 0 HB2 CYS 1 24 3.076 11.523 13.648 1.00 0.00 H new ATOM 0 HB3 CYS 1 24 4.705 11.479 14.292 1.00 0.00 H new ATOM 313 N GLN 1 25 6.406 9.005 11.995 1.00 0.00 N ATOM 314 CA GLN 1 25 7.671 8.340 12.288 1.00 0.00 C ATOM 315 C GLN 1 25 7.496 7.309 13.400 1.00 0.00 C ATOM 316 O GLN 1 25 7.907 7.534 14.538 1.00 0.00 O ATOM 317 CB GLN 1 25 8.732 9.366 12.691 1.00 0.00 C ATOM 318 CG GLN 1 25 8.817 10.557 11.751 1.00 0.00 C ATOM 319 CD GLN 1 25 9.170 11.843 12.472 1.00 0.00 C ATOM 320 OE1 GLN 1 25 8.293 12.631 12.826 1.00 0.00 O ATOM 321 NE2 GLN 1 25 10.461 12.062 12.693 1.00 0.00 N ATOM 0 H GLN 1 25 6.073 8.876 11.040 1.00 0.00 H new ATOM 0 HA GLN 1 25 8.000 7.825 11.385 1.00 0.00 H new ATOM 0 HB2 GLN 1 25 8.515 9.723 13.698 1.00 0.00 H new ATOM 0 HB3 GLN 1 25 9.704 8.874 12.730 1.00 0.00 H new ATOM 0 HG2 GLN 1 25 9.565 10.357 10.984 1.00 0.00 H new ATOM 0 HG3 GLN 1 25 7.862 10.681 11.240 1.00 0.00 H new ATOM 0 HE21 GLN 1 25 11.154 11.381 12.382 1.00 0.00 H new ATOM 0 HE22 GLN 1 25 10.759 12.911 13.174 1.00 0.00 H new ATOM 330 N ASP 1 26 6.884 6.179 13.062 1.00 0.00 N ATOM 331 CA ASP 1 26 6.655 5.117 14.034 1.00 0.00 C ATOM 332 C ASP 1 26 6.523 3.763 13.344 1.00 0.00 C ATOM 333 O ASP 1 26 7.423 2.926 13.420 1.00 0.00 O ATOM 334 CB ASP 1 26 5.396 5.408 14.853 1.00 0.00 C ATOM 335 CG ASP 1 26 5.681 6.279 16.061 1.00 0.00 C ATOM 336 OD1 ASP 1 26 6.356 5.797 16.994 1.00 0.00 O ATOM 337 OD2 ASP 1 26 5.229 7.444 16.073 1.00 0.00 O ATOM 0 H ASP 1 26 6.538 5.975 12.124 1.00 0.00 H new ATOM 0 HA ASP 1 26 7.516 5.081 14.702 1.00 0.00 H new ATOM 0 HB2 ASP 1 26 4.659 5.901 14.219 1.00 0.00 H new ATOM 0 HB3 ASP 1 26 4.955 4.467 15.183 1.00 0.00 H new ATOM 342 N ARG 1 27 5.395 3.552 12.673 1.00 0.00 N ATOM 343 CA ARG 1 27 5.146 2.298 11.973 1.00 0.00 C ATOM 344 C ARG 1 27 5.975 2.212 10.692 1.00 0.00 C ATOM 345 O ARG 1 27 7.036 1.588 10.671 1.00 0.00 O ATOM 346 CB ARG 1 27 3.655 2.156 11.651 1.00 0.00 C ATOM 347 CG ARG 1 27 2.957 1.079 12.466 1.00 0.00 C ATOM 348 CD ARG 1 27 3.395 -0.313 12.040 1.00 0.00 C ATOM 349 NE ARG 1 27 4.642 -0.716 12.685 1.00 0.00 N ATOM 350 CZ ARG 1 27 4.727 -1.115 13.952 1.00 0.00 C ATOM 351 NH1 ARG 1 27 3.641 -1.166 14.713 1.00 0.00 N ATOM 352 NH2 ARG 1 27 5.901 -1.465 14.459 1.00 0.00 N ATOM 0 H ARG 1 27 4.640 4.233 12.600 1.00 0.00 H new ATOM 0 HA ARG 1 27 5.445 1.479 12.627 1.00 0.00 H new ATOM 0 HB2 ARG 1 27 3.161 3.111 11.828 1.00 0.00 H new ATOM 0 HB3 ARG 1 27 3.541 1.929 10.591 1.00 0.00 H new ATOM 0 HG2 ARG 1 27 3.176 1.223 13.524 1.00 0.00 H new ATOM 0 HG3 ARG 1 27 1.878 1.174 12.348 1.00 0.00 H new ATOM 0 HD2 ARG 1 27 2.612 -1.030 12.285 1.00 0.00 H new ATOM 0 HD3 ARG 1 27 3.522 -0.338 10.958 1.00 0.00 H new ATOM 0 HE ARG 1 27 5.498 -0.690 12.132 1.00 0.00 H new ATOM 0 HH11 ARG 1 27 2.735 -0.899 14.328 1.00 0.00 H new ATOM 0 HH12 ARG 1 27 3.712 -1.473 15.683 1.00 0.00 H new ATOM 0 HH21 ARG 1 27 6.739 -1.428 13.878 1.00 0.00 H new ATOM 0 HH22 ARG 1 27 5.967 -1.771 15.430 1.00 0.00 H new ATOM 366 N CYS 1 28 5.485 2.839 9.626 1.00 0.00 N ATOM 367 CA CYS 1 28 6.182 2.828 8.345 1.00 0.00 C ATOM 368 C CYS 1 28 5.862 4.084 7.534 1.00 0.00 C ATOM 369 O CYS 1 28 5.952 4.077 6.307 1.00 0.00 O ATOM 370 CB CYS 1 28 5.793 1.584 7.541 1.00 0.00 C ATOM 371 SG CYS 1 28 6.037 0.007 8.425 1.00 0.00 S ATOM 0 H CYS 1 28 4.608 3.361 9.625 1.00 0.00 H new ATOM 0 HA CYS 1 28 7.253 2.809 8.546 1.00 0.00 H new ATOM 0 HB2 CYS 1 28 4.745 1.666 7.252 1.00 0.00 H new ATOM 0 HB3 CYS 1 28 6.376 1.564 6.621 1.00 0.00 H new ATOM 376 N CYS 1 29 5.471 5.156 8.222 1.00 0.00 N ATOM 377 CA CYS 1 29 5.113 6.406 7.553 1.00 0.00 C ATOM 378 C CYS 1 29 5.860 7.601 8.136 1.00 0.00 C ATOM 379 O CYS 1 29 6.056 7.699 9.348 1.00 0.00 O ATOM 380 CB CYS 1 29 3.604 6.632 7.677 1.00 0.00 C ATOM 381 SG CYS 1 29 2.869 7.639 6.349 1.00 0.00 S ATOM 0 H CYS 1 29 5.394 5.184 9.239 1.00 0.00 H new ATOM 0 HA CYS 1 29 5.399 6.319 6.505 1.00 0.00 H new ATOM 0 HB2 CYS 1 29 3.106 5.662 7.696 1.00 0.00 H new ATOM 0 HB3 CYS 1 29 3.401 7.114 8.633 1.00 0.00 H new ATOM 386 N ASN 1 30 6.260 8.514 7.256 1.00 0.00 N ATOM 387 CA ASN 1 30 6.969 9.718 7.662 1.00 0.00 C ATOM 388 C ASN 1 30 6.124 10.950 7.411 1.00 0.00 C ATOM 389 O ASN 1 30 6.107 11.502 6.311 1.00 0.00 O ATOM 390 CB ASN 1 30 8.297 9.840 6.923 1.00 0.00 C ATOM 391 CG ASN 1 30 9.384 8.993 7.550 1.00 0.00 C ATOM 392 OD1 ASN 1 30 9.443 9.004 8.875 1.00 0.00 O flip ATOM 393 ND2 ASN 1 30 10.160 8.339 6.854 1.00 0.00 N flip ATOM 0 H ASN 1 30 6.103 8.440 6.251 1.00 0.00 H new ATOM 0 HA ASN 1 30 7.169 9.642 8.731 1.00 0.00 H new ATOM 0 HB2 ASN 1 30 8.161 9.541 5.884 1.00 0.00 H new ATOM 0 HB3 ASN 1 30 8.612 10.884 6.916 1.00 0.00 H new ATOM 0 HD21 ASN 1 30 10.076 8.362 5.838 1.00 0.00 H new ATOM 0 HD22 ASN 1 30 10.887 7.774 7.293 1.00 0.00 H new ATOM 400 N ALA 1 31 5.446 11.386 8.456 1.00 0.00 N ATOM 401 CA ALA 1 31 4.612 12.573 8.383 1.00 0.00 C ATOM 402 C ALA 1 31 5.494 13.801 8.510 1.00 0.00 C ATOM 403 O ALA 1 31 5.142 14.893 8.065 1.00 0.00 O ATOM 404 CB ALA 1 31 3.553 12.554 9.478 1.00 0.00 C ATOM 0 H ALA 1 31 5.456 10.934 9.370 1.00 0.00 H new ATOM 0 HA ALA 1 31 4.094 12.596 7.424 1.00 0.00 H new ATOM 0 HB1 ALA 1 31 2.939 13.452 9.406 1.00 0.00 H new ATOM 0 HB2 ALA 1 31 2.923 11.673 9.359 1.00 0.00 H new ATOM 0 HB3 ALA 1 31 4.039 12.524 10.453 1.00 0.00 H new ATOM 410 N ALA 1 32 6.658 13.594 9.116 1.00 0.00 N ATOM 411 CA ALA 1 32 7.628 14.657 9.307 1.00 0.00 C ATOM 412 C ALA 1 32 8.771 14.538 8.305 1.00 0.00 C ATOM 413 O ALA 1 32 9.677 15.371 8.282 1.00 0.00 O ATOM 414 CB ALA 1 32 8.168 14.615 10.726 1.00 0.00 C ATOM 0 H ALA 1 32 6.951 12.689 9.485 1.00 0.00 H new ATOM 0 HA ALA 1 32 7.130 15.612 9.141 1.00 0.00 H new ATOM 0 HB1 ALA 1 32 8.895 15.415 10.862 1.00 0.00 H new ATOM 0 HB2 ALA 1 32 7.348 14.746 11.432 1.00 0.00 H new ATOM 0 HB3 ALA 1 32 8.649 13.653 10.904 1.00 0.00 H new ATOM 420 N THR 1 33 8.739 13.483 7.491 1.00 0.00 N ATOM 421 CA THR 1 33 9.789 13.250 6.511 1.00 0.00 C ATOM 422 C THR 1 33 9.236 13.146 5.089 1.00 0.00 C ATOM 423 O THR 1 33 9.989 12.939 4.137 1.00 0.00 O ATOM 424 CB THR 1 33 10.570 11.993 6.888 1.00 0.00 C ATOM 425 OG1 THR 1 33 10.127 11.487 8.138 1.00 0.00 O ATOM 426 CG2 THR 1 33 12.049 12.233 7.010 1.00 0.00 C ATOM 0 H THR 1 33 7.999 12.781 7.494 1.00 0.00 H new ATOM 0 HA THR 1 33 10.461 14.108 6.522 1.00 0.00 H new ATOM 0 HB THR 1 33 10.389 11.285 6.080 1.00 0.00 H new ATOM 0 HG1 THR 1 33 10.898 11.176 8.657 1.00 0.00 H new ATOM 0 HG21 THR 1 33 12.548 11.302 7.280 1.00 0.00 H new ATOM 0 HG22 THR 1 33 12.439 12.591 6.057 1.00 0.00 H new ATOM 0 HG23 THR 1 33 12.234 12.980 7.782 1.00 0.00 H new ATOM 434 N CYS 1 34 7.925 13.318 4.945 1.00 0.00 N ATOM 435 CA CYS 1 34 7.283 13.273 3.635 1.00 0.00 C ATOM 436 C CYS 1 34 7.643 12.002 2.859 1.00 0.00 C ATOM 437 O CYS 1 34 8.034 12.066 1.695 1.00 0.00 O ATOM 438 CB CYS 1 34 7.664 14.534 2.842 1.00 0.00 C ATOM 439 SG CYS 1 34 7.256 14.504 1.061 1.00 0.00 S ATOM 0 H CYS 1 34 7.286 13.490 5.721 1.00 0.00 H new ATOM 0 HA CYS 1 34 6.203 13.248 3.781 1.00 0.00 H new ATOM 0 HB2 CYS 1 34 7.165 15.391 3.296 1.00 0.00 H new ATOM 0 HB3 CYS 1 34 8.737 14.697 2.947 1.00 0.00 H new ATOM 444 N LYS 1 35 7.513 10.841 3.496 1.00 0.00 N ATOM 445 CA LYS 1 35 7.824 9.586 2.813 1.00 0.00 C ATOM 446 C LYS 1 35 7.597 8.371 3.698 1.00 0.00 C ATOM 447 O LYS 1 35 7.204 8.483 4.855 1.00 0.00 O ATOM 448 CB LYS 1 35 9.272 9.587 2.329 1.00 0.00 C ATOM 449 CG LYS 1 35 9.442 9.046 0.918 1.00 0.00 C ATOM 450 CD LYS 1 35 9.612 10.167 -0.097 1.00 0.00 C ATOM 451 CE LYS 1 35 10.947 10.069 -0.817 1.00 0.00 C ATOM 452 NZ LYS 1 35 11.237 11.290 -1.620 1.00 0.00 N ATOM 0 H LYS 1 35 7.202 10.741 4.462 1.00 0.00 H new ATOM 0 HA LYS 1 35 7.144 9.517 1.964 1.00 0.00 H new ATOM 0 HB2 LYS 1 35 9.659 10.605 2.368 1.00 0.00 H new ATOM 0 HB3 LYS 1 35 9.876 8.991 3.013 1.00 0.00 H new ATOM 0 HG2 LYS 1 35 10.310 8.388 0.883 1.00 0.00 H new ATOM 0 HG3 LYS 1 35 8.574 8.443 0.652 1.00 0.00 H new ATOM 0 HD2 LYS 1 35 8.801 10.127 -0.824 1.00 0.00 H new ATOM 0 HD3 LYS 1 35 9.540 11.130 0.408 1.00 0.00 H new ATOM 0 HE2 LYS 1 35 11.742 9.917 -0.087 1.00 0.00 H new ATOM 0 HE3 LYS 1 35 10.943 9.197 -1.471 1.00 0.00 H new ATOM 0 HZ1 LYS 1 35 12.156 11.183 -2.095 1.00 0.00 H new ATOM 0 HZ2 LYS 1 35 10.492 11.421 -2.333 1.00 0.00 H new ATOM 0 HZ3 LYS 1 35 11.266 12.119 -0.993 1.00 0.00 H new ATOM 466 N LEU 1 36 7.879 7.206 3.137 1.00 0.00 N ATOM 467 CA LEU 1 36 7.755 5.954 3.872 1.00 0.00 C ATOM 468 C LEU 1 36 9.080 5.663 4.571 1.00 0.00 C ATOM 469 O LEU 1 36 10.142 6.028 4.066 1.00 0.00 O ATOM 470 CB LEU 1 36 7.386 4.804 2.934 1.00 0.00 C ATOM 471 CG LEU 1 36 8.398 4.523 1.825 1.00 0.00 C ATOM 472 CD1 LEU 1 36 8.458 3.033 1.522 1.00 0.00 C ATOM 473 CD2 LEU 1 36 8.043 5.316 0.576 1.00 0.00 C ATOM 0 H LEU 1 36 8.196 7.100 2.173 1.00 0.00 H new ATOM 0 HA LEU 1 36 6.958 6.047 4.610 1.00 0.00 H new ATOM 0 HB2 LEU 1 36 7.259 3.898 3.527 1.00 0.00 H new ATOM 0 HB3 LEU 1 36 6.421 5.024 2.477 1.00 0.00 H new ATOM 0 HG LEU 1 36 9.385 4.839 2.164 1.00 0.00 H new ATOM 0 HD11 LEU 1 36 9.184 2.852 0.730 1.00 0.00 H new ATOM 0 HD12 LEU 1 36 8.757 2.491 2.419 1.00 0.00 H new ATOM 0 HD13 LEU 1 36 7.476 2.687 1.200 1.00 0.00 H new ATOM 0 HD21 LEU 1 36 8.772 5.107 -0.207 1.00 0.00 H new ATOM 0 HD22 LEU 1 36 7.049 5.029 0.233 1.00 0.00 H new ATOM 0 HD23 LEU 1 36 8.053 6.381 0.806 1.00 0.00 H new ATOM 485 N THR 1 37 9.025 5.038 5.739 1.00 0.00 N ATOM 486 CA THR 1 37 10.242 4.749 6.492 1.00 0.00 C ATOM 487 C THR 1 37 10.858 3.408 6.111 1.00 0.00 C ATOM 488 O THR 1 37 10.182 2.523 5.587 1.00 0.00 O ATOM 489 CB THR 1 37 9.956 4.778 7.989 1.00 0.00 C ATOM 490 OG1 THR 1 37 8.852 3.956 8.306 1.00 0.00 O ATOM 491 CG2 THR 1 37 9.660 6.164 8.501 1.00 0.00 C ATOM 0 H THR 1 37 8.162 4.724 6.183 1.00 0.00 H new ATOM 0 HA THR 1 37 10.964 5.525 6.239 1.00 0.00 H new ATOM 0 HB THR 1 37 10.864 4.412 8.469 1.00 0.00 H new ATOM 0 HG1 THR 1 37 8.467 4.241 9.161 1.00 0.00 H new ATOM 0 HG21 THR 1 37 9.464 6.122 9.572 1.00 0.00 H new ATOM 0 HG22 THR 1 37 10.516 6.812 8.314 1.00 0.00 H new ATOM 0 HG23 THR 1 37 8.785 6.562 7.988 1.00 0.00 H new ATOM 499 N PRO 1 38 12.167 3.248 6.385 1.00 0.00 N ATOM 500 CA PRO 1 38 12.907 2.019 6.090 1.00 0.00 C ATOM 501 C PRO 1 38 12.107 0.761 6.401 1.00 0.00 C ATOM 502 O PRO 1 38 11.296 0.739 7.327 1.00 0.00 O ATOM 503 CB PRO 1 38 14.111 2.132 7.019 1.00 0.00 C ATOM 504 CG PRO 1 38 14.382 3.593 7.086 1.00 0.00 C ATOM 505 CD PRO 1 38 13.035 4.266 7.017 1.00 0.00 C ATOM 0 HA PRO 1 38 13.158 1.928 5.033 1.00 0.00 H new ATOM 0 HB2 PRO 1 38 13.894 1.721 8.005 1.00 0.00 H new ATOM 0 HB3 PRO 1 38 14.969 1.585 6.628 1.00 0.00 H new ATOM 0 HG2 PRO 1 38 14.901 3.852 8.009 1.00 0.00 H new ATOM 0 HG3 PRO 1 38 15.020 3.910 6.261 1.00 0.00 H new ATOM 0 HD2 PRO 1 38 12.674 4.541 8.008 1.00 0.00 H new ATOM 0 HD3 PRO 1 38 13.074 5.181 6.426 1.00 0.00 H new ATOM 513 N GLY 1 39 12.336 -0.283 5.614 1.00 0.00 N ATOM 514 CA GLY 1 39 11.625 -1.531 5.814 1.00 0.00 C ATOM 515 C GLY 1 39 10.322 -1.584 5.039 1.00 0.00 C ATOM 516 O GLY 1 39 9.739 -2.654 4.867 1.00 0.00 O ATOM 0 H GLY 1 39 13.001 -0.288 4.841 1.00 0.00 H new ATOM 0 HA2 GLY 1 39 12.261 -2.362 5.508 1.00 0.00 H new ATOM 0 HA3 GLY 1 39 11.419 -1.662 6.876 1.00 0.00 H new ATOM 520 N SER 1 40 9.865 -0.426 4.568 1.00 0.00 N ATOM 521 CA SER 1 40 8.626 -0.347 3.809 1.00 0.00 C ATOM 522 C SER 1 40 8.888 -0.561 2.322 1.00 0.00 C ATOM 523 O SER 1 40 9.484 0.287 1.658 1.00 0.00 O ATOM 524 CB SER 1 40 7.950 1.008 4.034 1.00 0.00 C ATOM 525 OG SER 1 40 6.718 1.085 3.339 1.00 0.00 O ATOM 0 H SER 1 40 10.336 0.469 4.700 1.00 0.00 H new ATOM 0 HA SER 1 40 7.961 -1.136 4.159 1.00 0.00 H new ATOM 0 HB2 SER 1 40 7.780 1.161 5.100 1.00 0.00 H new ATOM 0 HB3 SER 1 40 8.611 1.808 3.699 1.00 0.00 H new ATOM 0 HG SER 1 40 6.306 1.959 3.500 1.00 0.00 H new ATOM 531 N GLN 1 41 8.442 -1.702 1.805 1.00 0.00 N ATOM 532 CA GLN 1 41 8.633 -2.027 0.396 1.00 0.00 C ATOM 533 C GLN 1 41 7.721 -1.183 -0.485 1.00 0.00 C ATOM 534 O GLN 1 41 8.067 -0.856 -1.620 1.00 0.00 O ATOM 535 CB GLN 1 41 8.362 -3.513 0.148 1.00 0.00 C ATOM 536 CG GLN 1 41 8.971 -4.427 1.198 1.00 0.00 C ATOM 537 CD GLN 1 41 8.915 -5.889 0.801 1.00 0.00 C ATOM 538 OE1 GLN 1 41 8.088 -6.650 1.304 1.00 0.00 O ATOM 539 NE2 GLN 1 41 9.798 -6.290 -0.106 1.00 0.00 N ATOM 0 H GLN 1 41 7.947 -2.416 2.340 1.00 0.00 H new ATOM 0 HA GLN 1 41 9.669 -1.806 0.138 1.00 0.00 H new ATOM 0 HB2 GLN 1 41 7.285 -3.677 0.117 1.00 0.00 H new ATOM 0 HB3 GLN 1 41 8.755 -3.787 -0.831 1.00 0.00 H new ATOM 0 HG2 GLN 1 41 10.009 -4.140 1.367 1.00 0.00 H new ATOM 0 HG3 GLN 1 41 8.445 -4.290 2.143 1.00 0.00 H new ATOM 0 HE21 GLN 1 41 10.466 -5.625 -0.497 1.00 0.00 H new ATOM 0 HE22 GLN 1 41 9.809 -7.263 -0.412 1.00 0.00 H new ATOM 548 N CYS 1 42 6.555 -0.835 0.044 1.00 0.00 N ATOM 549 CA CYS 1 42 5.594 -0.031 -0.697 1.00 0.00 C ATOM 550 C CYS 1 42 4.765 0.832 0.242 1.00 0.00 C ATOM 551 O CYS 1 42 4.359 0.388 1.316 1.00 0.00 O ATOM 552 CB CYS 1 42 4.675 -0.930 -1.521 1.00 0.00 C ATOM 553 SG CYS 1 42 3.459 -0.020 -2.524 1.00 0.00 S ATOM 0 H CYS 1 42 6.253 -1.097 0.982 1.00 0.00 H new ATOM 0 HA CYS 1 42 6.150 0.624 -1.367 1.00 0.00 H new ATOM 0 HB2 CYS 1 42 5.284 -1.549 -2.180 1.00 0.00 H new ATOM 0 HB3 CYS 1 42 4.145 -1.605 -0.849 1.00 0.00 H new ATOM 558 N ASN 1 43 4.512 2.067 -0.173 1.00 0.00 N ATOM 559 CA ASN 1 43 3.725 2.991 0.628 1.00 0.00 C ATOM 560 C ASN 1 43 2.254 2.598 0.605 1.00 0.00 C ATOM 561 O ASN 1 43 1.555 2.695 1.614 1.00 0.00 O ATOM 562 CB ASN 1 43 3.893 4.421 0.109 1.00 0.00 C ATOM 563 CG ASN 1 43 3.667 4.524 -1.386 1.00 0.00 C ATOM 564 OD1 ASN 1 43 2.576 4.241 -1.882 1.00 0.00 O ATOM 565 ND2 ASN 1 43 4.700 4.931 -2.114 1.00 0.00 N ATOM 0 H ASN 1 43 4.841 2.450 -1.059 1.00 0.00 H new ATOM 0 HA ASN 1 43 4.083 2.945 1.656 1.00 0.00 H new ATOM 0 HB2 ASN 1 43 3.192 5.077 0.626 1.00 0.00 H new ATOM 0 HB3 ASN 1 43 4.896 4.776 0.347 1.00 0.00 H new ATOM 0 HD21 ASN 1 43 4.607 5.020 -3.126 1.00 0.00 H new ATOM 0 HD22 ASN 1 43 5.586 5.155 -1.661 1.00 0.00 H new ATOM 572 N TYR 1 44 1.797 2.150 -0.557 1.00 0.00 N ATOM 573 CA TYR 1 44 0.411 1.733 -0.732 1.00 0.00 C ATOM 574 C TYR 1 44 0.181 1.240 -2.156 1.00 0.00 C ATOM 575 O TYR 1 44 1.016 1.445 -3.036 1.00 0.00 O ATOM 576 CB TYR 1 44 -0.540 2.892 -0.424 1.00 0.00 C ATOM 577 CG TYR 1 44 -0.506 3.988 -1.463 1.00 0.00 C ATOM 578 CD1 TYR 1 44 -1.074 3.798 -2.717 1.00 0.00 C ATOM 579 CD2 TYR 1 44 0.101 5.206 -1.193 1.00 0.00 C ATOM 580 CE1 TYR 1 44 -1.038 4.792 -3.673 1.00 0.00 C ATOM 581 CE2 TYR 1 44 0.141 6.208 -2.141 1.00 0.00 C ATOM 582 CZ TYR 1 44 -0.430 5.997 -3.381 1.00 0.00 C ATOM 583 OH TYR 1 44 -0.392 6.992 -4.331 1.00 0.00 O ATOM 0 H TYR 1 44 2.369 2.066 -1.397 1.00 0.00 H new ATOM 0 HA TYR 1 44 0.209 0.917 -0.038 1.00 0.00 H new ATOM 0 HB2 TYR 1 44 -1.557 2.507 -0.346 1.00 0.00 H new ATOM 0 HB3 TYR 1 44 -0.284 3.314 0.548 1.00 0.00 H new ATOM 0 HD1 TYR 1 44 -1.551 2.857 -2.947 1.00 0.00 H new ATOM 0 HD2 TYR 1 44 0.550 5.373 -0.225 1.00 0.00 H new ATOM 0 HE1 TYR 1 44 -1.483 4.629 -4.644 1.00 0.00 H new ATOM 0 HE2 TYR 1 44 0.616 7.151 -1.915 1.00 0.00 H new ATOM 0 HH TYR 1 44 0.070 7.775 -3.966 1.00 0.00 H new ATOM 593 N GLY 1 45 -0.957 0.597 -2.378 1.00 0.00 N ATOM 594 CA GLY 1 45 -1.271 0.092 -3.699 1.00 0.00 C ATOM 595 C GLY 1 45 -1.909 -1.279 -3.658 1.00 0.00 C ATOM 596 O GLY 1 45 -2.219 -1.797 -2.585 1.00 0.00 O ATOM 0 H GLY 1 45 -1.667 0.416 -1.668 1.00 0.00 H new ATOM 0 HA2 GLY 1 45 -1.944 0.788 -4.200 1.00 0.00 H new ATOM 0 HA3 GLY 1 45 -0.359 0.047 -4.294 1.00 0.00 H new ATOM 600 N GLU 1 46 -2.105 -1.869 -4.830 1.00 0.00 N ATOM 601 CA GLU 1 46 -2.713 -3.191 -4.926 1.00 0.00 C ATOM 602 C GLU 1 46 -1.917 -4.222 -4.134 1.00 0.00 C ATOM 603 O GLU 1 46 -2.483 -5.030 -3.398 1.00 0.00 O ATOM 604 CB GLU 1 46 -2.802 -3.625 -6.387 1.00 0.00 C ATOM 605 CG GLU 1 46 -3.990 -3.033 -7.128 1.00 0.00 C ATOM 606 CD GLU 1 46 -3.680 -2.732 -8.581 1.00 0.00 C ATOM 607 OE1 GLU 1 46 -3.289 -3.668 -9.311 1.00 0.00 O ATOM 608 OE2 GLU 1 46 -3.829 -1.562 -8.990 1.00 0.00 O ATOM 0 H GLU 1 46 -1.852 -1.454 -5.727 1.00 0.00 H new ATOM 0 HA GLU 1 46 -3.716 -3.129 -4.503 1.00 0.00 H new ATOM 0 HB2 GLU 1 46 -1.884 -3.336 -6.899 1.00 0.00 H new ATOM 0 HB3 GLU 1 46 -2.863 -4.712 -6.431 1.00 0.00 H new ATOM 0 HG2 GLU 1 46 -4.829 -3.727 -7.076 1.00 0.00 H new ATOM 0 HG3 GLU 1 46 -4.304 -2.116 -6.630 1.00 0.00 H new ATOM 615 N CYS 1 47 -0.601 -4.192 -4.300 1.00 0.00 N ATOM 616 CA CYS 1 47 0.283 -5.126 -3.614 1.00 0.00 C ATOM 617 C CYS 1 47 0.982 -4.458 -2.438 1.00 0.00 C ATOM 618 O CYS 1 47 2.153 -4.721 -2.181 1.00 0.00 O ATOM 619 CB CYS 1 47 1.336 -5.653 -4.586 1.00 0.00 C ATOM 620 SG CYS 1 47 0.826 -7.130 -5.509 1.00 0.00 S ATOM 0 H CYS 1 47 -0.120 -3.528 -4.907 1.00 0.00 H new ATOM 0 HA CYS 1 47 -0.325 -5.949 -3.239 1.00 0.00 H new ATOM 0 HB2 CYS 1 47 1.586 -4.864 -5.295 1.00 0.00 H new ATOM 0 HB3 CYS 1 47 2.245 -5.882 -4.030 1.00 0.00 H new ATOM 625 N CYS 1 48 0.280 -3.583 -1.732 1.00 0.00 N ATOM 626 CA CYS 1 48 0.888 -2.888 -0.605 1.00 0.00 C ATOM 627 C CYS 1 48 -0.020 -2.881 0.618 1.00 0.00 C ATOM 628 O CYS 1 48 -1.142 -2.375 0.578 1.00 0.00 O ATOM 629 CB CYS 1 48 1.247 -1.458 -1.008 1.00 0.00 C ATOM 630 SG CYS 1 48 1.908 -1.316 -2.703 1.00 0.00 S ATOM 0 H CYS 1 48 -0.694 -3.340 -1.914 1.00 0.00 H new ATOM 0 HA CYS 1 48 1.795 -3.428 -0.332 1.00 0.00 H new ATOM 0 HB2 CYS 1 48 0.359 -0.832 -0.920 1.00 0.00 H new ATOM 0 HB3 CYS 1 48 1.984 -1.067 -0.306 1.00 0.00 H new ATOM 635 N ASP 1 49 0.490 -3.441 1.710 1.00 0.00 N ATOM 636 CA ASP 1 49 -0.244 -3.503 2.966 1.00 0.00 C ATOM 637 C ASP 1 49 0.687 -3.174 4.127 1.00 0.00 C ATOM 638 O ASP 1 49 1.736 -3.800 4.286 1.00 0.00 O ATOM 639 CB ASP 1 49 -0.856 -4.892 3.160 1.00 0.00 C ATOM 640 CG ASP 1 49 -2.134 -4.852 3.975 1.00 0.00 C ATOM 641 OD1 ASP 1 49 -3.197 -4.540 3.398 1.00 0.00 O ATOM 642 OD2 ASP 1 49 -2.071 -5.132 5.191 1.00 0.00 O ATOM 0 H ASP 1 49 1.418 -3.862 1.748 1.00 0.00 H new ATOM 0 HA ASP 1 49 -1.051 -2.770 2.937 1.00 0.00 H new ATOM 0 HB2 ASP 1 49 -1.064 -5.334 2.185 1.00 0.00 H new ATOM 0 HB3 ASP 1 49 -0.132 -5.539 3.656 1.00 0.00 H new ATOM 647 N GLN 1 50 0.308 -2.180 4.926 1.00 0.00 N ATOM 648 CA GLN 1 50 1.123 -1.759 6.063 1.00 0.00 C ATOM 649 C GLN 1 50 2.424 -1.129 5.577 1.00 0.00 C ATOM 650 O GLN 1 50 2.631 0.077 5.710 1.00 0.00 O ATOM 651 CB GLN 1 50 1.424 -2.948 6.979 1.00 0.00 C ATOM 652 CG GLN 1 50 1.384 -2.601 8.458 1.00 0.00 C ATOM 653 CD GLN 1 50 0.058 -2.955 9.104 1.00 0.00 C ATOM 654 OE1 GLN 1 50 -0.849 -2.126 9.179 1.00 0.00 O ATOM 655 NE2 GLN 1 50 -0.060 -4.191 9.575 1.00 0.00 N ATOM 0 H GLN 1 50 -0.556 -1.652 4.808 1.00 0.00 H new ATOM 0 HA GLN 1 50 0.563 -1.016 6.631 1.00 0.00 H new ATOM 0 HB2 GLN 1 50 0.703 -3.741 6.781 1.00 0.00 H new ATOM 0 HB3 GLN 1 50 2.409 -3.345 6.734 1.00 0.00 H new ATOM 0 HG2 GLN 1 50 2.187 -3.128 8.973 1.00 0.00 H new ATOM 0 HG3 GLN 1 50 1.571 -1.534 8.583 1.00 0.00 H new ATOM 0 HE21 GLN 1 50 0.718 -4.845 9.491 1.00 0.00 H new ATOM 0 HE22 GLN 1 50 -0.929 -4.486 10.021 1.00 0.00 H new ATOM 664 N CYS 1 51 3.293 -1.954 5.000 1.00 0.00 N ATOM 665 CA CYS 1 51 4.571 -1.486 4.476 1.00 0.00 C ATOM 666 C CYS 1 51 5.369 -2.642 3.879 1.00 0.00 C ATOM 667 O CYS 1 51 6.586 -2.717 4.036 1.00 0.00 O ATOM 668 CB CYS 1 51 5.392 -0.778 5.563 1.00 0.00 C ATOM 669 SG CYS 1 51 5.085 -1.362 7.264 1.00 0.00 S ATOM 0 H CYS 1 51 3.134 -2.955 4.883 1.00 0.00 H new ATOM 0 HA CYS 1 51 4.359 -0.765 3.686 1.00 0.00 H new ATOM 0 HB2 CYS 1 51 6.451 -0.904 5.337 1.00 0.00 H new ATOM 0 HB3 CYS 1 51 5.181 0.291 5.518 1.00 0.00 H new ATOM 674 N ARG 1 52 4.674 -3.542 3.189 1.00 0.00 N ATOM 675 CA ARG 1 52 5.319 -4.692 2.562 1.00 0.00 C ATOM 676 C ARG 1 52 4.455 -5.250 1.436 1.00 0.00 C ATOM 677 O ARG 1 52 3.229 -5.148 1.476 1.00 0.00 O ATOM 678 CB ARG 1 52 5.592 -5.779 3.602 1.00 0.00 C ATOM 679 CG ARG 1 52 6.661 -5.394 4.610 1.00 0.00 C ATOM 680 CD ARG 1 52 7.326 -6.620 5.211 1.00 0.00 C ATOM 681 NE ARG 1 52 8.036 -7.407 4.205 1.00 0.00 N ATOM 682 CZ ARG 1 52 8.391 -8.679 4.373 1.00 0.00 C ATOM 683 NH1 ARG 1 52 8.106 -9.311 5.505 1.00 0.00 N ATOM 684 NH2 ARG 1 52 9.034 -9.320 3.407 1.00 0.00 N ATOM 0 H ARG 1 52 3.665 -3.497 3.050 1.00 0.00 H new ATOM 0 HA ARG 1 52 6.267 -4.362 2.138 1.00 0.00 H new ATOM 0 HB2 ARG 1 52 4.667 -6.004 4.133 1.00 0.00 H new ATOM 0 HB3 ARG 1 52 5.897 -6.692 3.091 1.00 0.00 H new ATOM 0 HG2 ARG 1 52 7.413 -4.772 4.125 1.00 0.00 H new ATOM 0 HG3 ARG 1 52 6.215 -4.795 5.404 1.00 0.00 H new ATOM 0 HD2 ARG 1 52 8.025 -6.309 5.988 1.00 0.00 H new ATOM 0 HD3 ARG 1 52 6.571 -7.242 5.692 1.00 0.00 H new ATOM 0 HE ARG 1 52 8.274 -6.955 3.322 1.00 0.00 H new ATOM 0 HH11 ARG 1 52 7.612 -8.822 6.252 1.00 0.00 H new ATOM 0 HH12 ARG 1 52 8.381 -10.286 5.628 1.00 0.00 H new ATOM 0 HH21 ARG 1 52 9.256 -8.839 2.536 1.00 0.00 H new ATOM 0 HH22 ARG 1 52 9.306 -10.295 3.535 1.00 0.00 H new ATOM 698 N PHE 1 53 5.097 -5.835 0.426 1.00 0.00 N ATOM 699 CA PHE 1 53 4.368 -6.397 -0.706 1.00 0.00 C ATOM 700 C PHE 1 53 3.489 -7.554 -0.267 1.00 0.00 C ATOM 701 O PHE 1 53 3.901 -8.396 0.531 1.00 0.00 O ATOM 702 CB PHE 1 53 5.326 -6.864 -1.807 1.00 0.00 C ATOM 703 CG PHE 1 53 5.948 -5.737 -2.578 1.00 0.00 C ATOM 704 CD1 PHE 1 53 5.225 -4.590 -2.848 1.00 0.00 C ATOM 705 CD2 PHE 1 53 7.253 -5.825 -3.033 1.00 0.00 C ATOM 706 CE1 PHE 1 53 5.783 -3.551 -3.553 1.00 0.00 C ATOM 707 CE2 PHE 1 53 7.822 -4.784 -3.743 1.00 0.00 C ATOM 708 CZ PHE 1 53 7.086 -3.644 -4.003 1.00 0.00 C ATOM 0 H PHE 1 53 6.111 -5.931 0.369 1.00 0.00 H new ATOM 0 HA PHE 1 53 3.735 -5.606 -1.108 1.00 0.00 H new ATOM 0 HB2 PHE 1 53 6.116 -7.466 -1.358 1.00 0.00 H new ATOM 0 HB3 PHE 1 53 4.785 -7.511 -2.498 1.00 0.00 H new ATOM 0 HD1 PHE 1 53 4.206 -4.509 -2.499 1.00 0.00 H new ATOM 0 HD2 PHE 1 53 7.831 -6.715 -2.831 1.00 0.00 H new ATOM 0 HE1 PHE 1 53 5.204 -2.662 -3.755 1.00 0.00 H new ATOM 0 HE2 PHE 1 53 8.840 -4.862 -4.094 1.00 0.00 H new ATOM 0 HZ PHE 1 53 7.528 -2.828 -4.556 1.00 0.00 H new ATOM 718 N LYS 1 54 2.277 -7.594 -0.802 1.00 0.00 N ATOM 719 CA LYS 1 54 1.342 -8.659 -0.469 1.00 0.00 C ATOM 720 C LYS 1 54 1.897 -10.006 -0.917 1.00 0.00 C ATOM 721 O LYS 1 54 1.952 -10.294 -2.110 1.00 0.00 O ATOM 722 CB LYS 1 54 -0.015 -8.403 -1.127 1.00 0.00 C ATOM 723 CG LYS 1 54 -0.925 -7.498 -0.313 1.00 0.00 C ATOM 724 CD LYS 1 54 -2.036 -6.910 -1.168 1.00 0.00 C ATOM 725 CE LYS 1 54 -3.352 -6.852 -0.410 1.00 0.00 C ATOM 726 NZ LYS 1 54 -4.481 -6.436 -1.287 1.00 0.00 N ATOM 0 H LYS 1 54 1.920 -6.906 -1.465 1.00 0.00 H new ATOM 0 HA LYS 1 54 1.207 -8.676 0.612 1.00 0.00 H new ATOM 0 HB2 LYS 1 54 0.145 -7.956 -2.108 1.00 0.00 H new ATOM 0 HB3 LYS 1 54 -0.516 -9.357 -1.289 1.00 0.00 H new ATOM 0 HG2 LYS 1 54 -1.359 -8.064 0.511 1.00 0.00 H new ATOM 0 HG3 LYS 1 54 -0.338 -6.692 0.128 1.00 0.00 H new ATOM 0 HD2 LYS 1 54 -1.756 -5.907 -1.490 1.00 0.00 H new ATOM 0 HD3 LYS 1 54 -2.160 -7.511 -2.069 1.00 0.00 H new ATOM 0 HE2 LYS 1 54 -3.567 -7.831 0.019 1.00 0.00 H new ATOM 0 HE3 LYS 1 54 -3.261 -6.153 0.421 1.00 0.00 H new ATOM 0 HZ1 LYS 1 54 -5.124 -5.816 -0.754 1.00 0.00 H new ATOM 0 HZ2 LYS 1 54 -4.109 -5.923 -2.112 1.00 0.00 H new ATOM 0 HZ3 LYS 1 54 -4.999 -7.278 -1.609 1.00 0.00 H new ATOM 740 N LYS 1 55 2.316 -10.825 0.047 1.00 0.00 N ATOM 741 CA LYS 1 55 2.877 -12.144 -0.249 1.00 0.00 C ATOM 742 C LYS 1 55 2.192 -12.780 -1.455 1.00 0.00 C ATOM 743 O LYS 1 55 0.964 -12.891 -1.496 1.00 0.00 O ATOM 744 CB LYS 1 55 2.744 -13.061 0.968 1.00 0.00 C ATOM 745 CG LYS 1 55 3.363 -14.434 0.766 1.00 0.00 C ATOM 746 CD LYS 1 55 3.416 -15.218 2.068 1.00 0.00 C ATOM 747 CE LYS 1 55 4.678 -16.061 2.159 1.00 0.00 C ATOM 748 NZ LYS 1 55 4.614 -17.036 3.283 1.00 0.00 N ATOM 0 H LYS 1 55 2.278 -10.599 1.041 1.00 0.00 H new ATOM 0 HA LYS 1 55 3.932 -12.012 -0.487 1.00 0.00 H new ATOM 0 HB2 LYS 1 55 3.215 -12.582 1.826 1.00 0.00 H new ATOM 0 HB3 LYS 1 55 1.688 -13.180 1.209 1.00 0.00 H new ATOM 0 HG2 LYS 1 55 2.785 -14.990 0.028 1.00 0.00 H new ATOM 0 HG3 LYS 1 55 4.370 -14.325 0.365 1.00 0.00 H new ATOM 0 HD2 LYS 1 55 3.376 -14.528 2.911 1.00 0.00 H new ATOM 0 HD3 LYS 1 55 2.540 -15.863 2.142 1.00 0.00 H new ATOM 0 HE2 LYS 1 55 4.825 -16.597 1.221 1.00 0.00 H new ATOM 0 HE3 LYS 1 55 5.541 -15.409 2.292 1.00 0.00 H new ATOM 0 HZ1 LYS 1 55 5.493 -17.591 3.311 1.00 0.00 H new ATOM 0 HZ2 LYS 1 55 4.499 -16.524 4.181 1.00 0.00 H new ATOM 0 HZ3 LYS 1 55 3.805 -17.675 3.143 1.00 0.00 H new ATOM 762 N ALA 1 56 2.993 -13.184 -2.442 1.00 0.00 N ATOM 763 CA ALA 1 56 2.463 -13.798 -3.654 1.00 0.00 C ATOM 764 C ALA 1 56 1.315 -14.738 -3.328 1.00 0.00 C ATOM 765 O ALA 1 56 1.433 -15.603 -2.459 1.00 0.00 O ATOM 766 CB ALA 1 56 3.548 -14.548 -4.402 1.00 0.00 C ATOM 0 H ALA 1 56 4.009 -13.096 -2.423 1.00 0.00 H new ATOM 0 HA ALA 1 56 2.089 -12.998 -4.293 1.00 0.00 H new ATOM 0 HB1 ALA 1 56 3.126 -14.996 -5.302 1.00 0.00 H new ATOM 0 HB2 ALA 1 56 4.343 -13.856 -4.680 1.00 0.00 H new ATOM 0 HB3 ALA 1 56 3.956 -15.331 -3.763 1.00 0.00 H new ATOM 772 N GLY 1 57 0.201 -14.549 -4.010 1.00 0.00 N ATOM 773 CA GLY 1 57 -0.962 -15.374 -3.758 1.00 0.00 C ATOM 774 C GLY 1 57 -2.118 -14.557 -3.225 1.00 0.00 C ATOM 775 O GLY 1 57 -3.253 -15.030 -3.174 1.00 0.00 O ATOM 0 H GLY 1 57 0.078 -13.841 -4.734 1.00 0.00 H new ATOM 0 HA2 GLY 1 57 -1.262 -15.872 -4.680 1.00 0.00 H new ATOM 0 HA3 GLY 1 57 -0.707 -16.155 -3.042 1.00 0.00 H new ATOM 779 N THR 1 58 -1.829 -13.315 -2.840 1.00 0.00 N ATOM 780 CA THR 1 58 -2.852 -12.419 -2.330 1.00 0.00 C ATOM 781 C THR 1 58 -3.699 -11.886 -3.480 1.00 0.00 C ATOM 782 O THR 1 58 -3.232 -11.076 -4.280 1.00 0.00 O ATOM 783 CB THR 1 58 -2.211 -11.253 -1.575 1.00 0.00 C ATOM 784 OG1 THR 1 58 -1.482 -11.719 -0.454 1.00 0.00 O ATOM 785 CG2 THR 1 58 -3.220 -10.244 -1.081 1.00 0.00 C ATOM 0 H THR 1 58 -0.893 -12.911 -2.874 1.00 0.00 H new ATOM 0 HA THR 1 58 -3.490 -12.975 -1.643 1.00 0.00 H new ATOM 0 HB THR 1 58 -1.552 -10.766 -2.294 1.00 0.00 H new ATOM 0 HG1 THR 1 58 -0.644 -12.127 -0.756 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -2.704 -9.442 -0.554 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -3.765 -9.829 -1.929 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -3.920 -10.732 -0.403 1.00 0.00 H new ATOM 793 N VAL 1 59 -4.940 -12.349 -3.568 1.00 0.00 N ATOM 794 CA VAL 1 59 -5.832 -11.915 -4.634 1.00 0.00 C ATOM 795 C VAL 1 59 -6.185 -10.438 -4.494 1.00 0.00 C ATOM 796 O VAL 1 59 -6.812 -10.031 -3.516 1.00 0.00 O ATOM 797 CB VAL 1 59 -7.137 -12.738 -4.661 1.00 0.00 C ATOM 798 CG1 VAL 1 59 -7.888 -12.595 -3.346 1.00 0.00 C ATOM 799 CG2 VAL 1 59 -8.014 -12.314 -5.831 1.00 0.00 C ATOM 0 H VAL 1 59 -5.349 -13.021 -2.918 1.00 0.00 H new ATOM 0 HA VAL 1 59 -5.294 -12.074 -5.568 1.00 0.00 H new ATOM 0 HB VAL 1 59 -6.877 -13.788 -4.793 1.00 0.00 H new ATOM 0 HG11 VAL 1 59 -8.805 -13.183 -3.385 1.00 0.00 H new ATOM 0 HG12 VAL 1 59 -7.262 -12.953 -2.529 1.00 0.00 H new ATOM 0 HG13 VAL 1 59 -8.136 -11.546 -3.181 1.00 0.00 H new ATOM 0 HG21 VAL 1 59 -8.929 -12.906 -5.833 1.00 0.00 H new ATOM 0 HG22 VAL 1 59 -8.265 -11.258 -5.734 1.00 0.00 H new ATOM 0 HG23 VAL 1 59 -7.476 -12.474 -6.766 1.00 0.00 H new ATOM 809 N CYS 1 60 -5.788 -9.640 -5.480 1.00 0.00 N ATOM 810 CA CYS 1 60 -6.077 -8.208 -5.460 1.00 0.00 C ATOM 811 C CYS 1 60 -7.233 -7.859 -6.398 1.00 0.00 C ATOM 812 O CYS 1 60 -7.859 -6.809 -6.259 1.00 0.00 O ATOM 813 CB CYS 1 60 -4.842 -7.402 -5.854 1.00 0.00 C ATOM 814 SG CYS 1 60 -3.333 -7.864 -4.951 1.00 0.00 S ATOM 0 H CYS 1 60 -5.268 -9.957 -6.299 1.00 0.00 H new ATOM 0 HA CYS 1 60 -6.366 -7.950 -4.441 1.00 0.00 H new ATOM 0 HB2 CYS 1 60 -4.666 -7.527 -6.922 1.00 0.00 H new ATOM 0 HB3 CYS 1 60 -5.043 -6.344 -5.686 1.00 0.00 H new ATOM 819 N ARG 1 61 -7.503 -8.739 -7.358 1.00 0.00 N ATOM 820 CA ARG 1 61 -8.577 -8.512 -8.324 1.00 0.00 C ATOM 821 C ARG 1 61 -9.149 -9.830 -8.839 1.00 0.00 C ATOM 822 O ARG 1 61 -8.732 -10.911 -8.423 1.00 0.00 O ATOM 823 CB ARG 1 61 -8.066 -7.675 -9.505 1.00 0.00 C ATOM 824 CG ARG 1 61 -8.920 -6.455 -9.814 1.00 0.00 C ATOM 825 CD ARG 1 61 -8.491 -5.795 -11.118 1.00 0.00 C ATOM 826 NE ARG 1 61 -7.064 -5.964 -11.369 1.00 0.00 N ATOM 827 CZ ARG 1 61 -6.110 -5.379 -10.649 1.00 0.00 C ATOM 828 NH1 ARG 1 61 -6.427 -4.516 -9.693 1.00 0.00 N ATOM 829 NH2 ARG 1 61 -4.837 -5.660 -10.886 1.00 0.00 N ATOM 0 H ARG 1 61 -6.995 -9.614 -7.489 1.00 0.00 H new ATOM 0 HA ARG 1 61 -9.371 -7.969 -7.812 1.00 0.00 H new ATOM 0 HB2 ARG 1 61 -7.048 -7.349 -9.292 1.00 0.00 H new ATOM 0 HB3 ARG 1 61 -8.019 -8.307 -10.392 1.00 0.00 H new ATOM 0 HG2 ARG 1 61 -9.968 -6.749 -9.880 1.00 0.00 H new ATOM 0 HG3 ARG 1 61 -8.841 -5.737 -8.998 1.00 0.00 H new ATOM 0 HD2 ARG 1 61 -9.058 -6.222 -11.945 1.00 0.00 H new ATOM 0 HD3 ARG 1 61 -8.730 -4.732 -11.083 1.00 0.00 H new ATOM 0 HE ARG 1 61 -6.781 -6.566 -12.142 1.00 0.00 H new ATOM 0 HH11 ARG 1 61 -7.406 -4.298 -9.507 1.00 0.00 H new ATOM 0 HH12 ARG 1 61 -5.692 -4.070 -9.144 1.00 0.00 H new ATOM 0 HH21 ARG 1 61 -4.589 -6.324 -11.620 1.00 0.00 H new ATOM 0 HH22 ARG 1 61 -4.105 -5.212 -10.335 1.00 0.00 H new ATOM 843 N ILE 1 62 -10.099 -9.721 -9.757 1.00 0.00 N ATOM 844 CA ILE 1 62 -10.733 -10.881 -10.359 1.00 0.00 C ATOM 845 C ILE 1 62 -11.782 -10.435 -11.360 1.00 0.00 C ATOM 846 O ILE 1 62 -12.549 -9.507 -11.103 1.00 0.00 O ATOM 847 CB ILE 1 62 -11.383 -11.804 -9.312 1.00 0.00 C ATOM 848 CG1 ILE 1 62 -12.011 -13.025 -9.988 1.00 0.00 C ATOM 849 CG2 ILE 1 62 -12.426 -11.046 -8.509 1.00 0.00 C ATOM 850 CD1 ILE 1 62 -11.009 -13.902 -10.706 1.00 0.00 C ATOM 0 H ILE 1 62 -10.450 -8.828 -10.103 1.00 0.00 H new ATOM 0 HA ILE 1 62 -9.951 -11.451 -10.861 1.00 0.00 H new ATOM 0 HB ILE 1 62 -10.607 -12.150 -8.630 1.00 0.00 H new ATOM 0 HG12 ILE 1 62 -12.529 -13.620 -9.236 1.00 0.00 H new ATOM 0 HG13 ILE 1 62 -12.763 -12.688 -10.701 1.00 0.00 H new ATOM 0 HG21 ILE 1 62 -12.875 -11.714 -7.774 1.00 0.00 H new ATOM 0 HG22 ILE 1 62 -11.953 -10.208 -7.997 1.00 0.00 H new ATOM 0 HG23 ILE 1 62 -13.200 -10.671 -9.179 1.00 0.00 H new ATOM 0 HD11 ILE 1 62 -11.525 -14.747 -11.161 1.00 0.00 H new ATOM 0 HD12 ILE 1 62 -10.508 -13.323 -11.482 1.00 0.00 H new ATOM 0 HD13 ILE 1 62 -10.270 -14.269 -9.993 1.00 0.00 H new ATOM 862 N ALA 1 63 -11.803 -11.092 -12.504 1.00 0.00 N ATOM 863 CA ALA 1 63 -12.750 -10.751 -13.550 1.00 0.00 C ATOM 864 C ALA 1 63 -14.181 -11.102 -13.129 1.00 0.00 C ATOM 865 O ALA 1 63 -14.827 -10.326 -12.425 1.00 0.00 O ATOM 866 CB ALA 1 63 -12.351 -11.411 -14.865 1.00 0.00 C ATOM 0 H ALA 1 63 -11.177 -11.864 -12.733 1.00 0.00 H new ATOM 0 HA ALA 1 63 -12.726 -9.673 -13.710 1.00 0.00 H new ATOM 0 HB1 ALA 1 63 -13.071 -11.145 -15.639 1.00 0.00 H new ATOM 0 HB2 ALA 1 63 -11.359 -11.067 -15.159 1.00 0.00 H new ATOM 0 HB3 ALA 1 63 -12.337 -12.494 -14.739 1.00 0.00 H new ATOM 872 N ARG 1 64 -14.677 -12.266 -13.543 1.00 0.00 N ATOM 873 CA ARG 1 64 -16.028 -12.685 -13.177 1.00 0.00 C ATOM 874 C ARG 1 64 -16.090 -14.187 -12.911 1.00 0.00 C ATOM 875 O ARG 1 64 -16.422 -14.968 -13.801 1.00 0.00 O ATOM 876 CB ARG 1 64 -17.015 -12.309 -14.284 1.00 0.00 C ATOM 877 CG ARG 1 64 -18.334 -11.764 -13.762 1.00 0.00 C ATOM 878 CD ARG 1 64 -18.154 -10.405 -13.105 1.00 0.00 C ATOM 879 NE ARG 1 64 -19.358 -9.974 -12.399 1.00 0.00 N ATOM 880 CZ ARG 1 64 -19.789 -10.523 -11.265 1.00 0.00 C ATOM 881 NH1 ARG 1 64 -19.117 -11.522 -10.707 1.00 0.00 N ATOM 882 NH2 ARG 1 64 -20.894 -10.071 -10.688 1.00 0.00 N ATOM 0 H ARG 1 64 -14.169 -12.931 -14.127 1.00 0.00 H new ATOM 0 HA ARG 1 64 -16.302 -12.167 -12.258 1.00 0.00 H new ATOM 0 HB2 ARG 1 64 -16.554 -11.564 -14.932 1.00 0.00 H new ATOM 0 HB3 ARG 1 64 -17.212 -13.188 -14.898 1.00 0.00 H new ATOM 0 HG2 ARG 1 64 -19.045 -11.681 -14.584 1.00 0.00 H new ATOM 0 HG3 ARG 1 64 -18.759 -12.464 -13.042 1.00 0.00 H new ATOM 0 HD2 ARG 1 64 -17.320 -10.449 -12.405 1.00 0.00 H new ATOM 0 HD3 ARG 1 64 -17.895 -9.667 -13.864 1.00 0.00 H new ATOM 0 HE ARG 1 64 -19.900 -9.208 -12.798 1.00 0.00 H new ATOM 0 HH11 ARG 1 64 -18.266 -11.873 -11.147 1.00 0.00 H new ATOM 0 HH12 ARG 1 64 -19.451 -11.939 -9.838 1.00 0.00 H new ATOM 0 HH21 ARG 1 64 -21.414 -9.303 -11.113 1.00 0.00 H new ATOM 0 HH22 ARG 1 64 -21.224 -10.491 -9.819 1.00 0.00 H new ATOM 896 N GLY 1 65 -15.787 -14.589 -11.684 1.00 0.00 N ATOM 897 CA GLY 1 65 -15.827 -15.997 -11.344 1.00 0.00 C ATOM 898 C GLY 1 65 -14.520 -16.489 -10.764 1.00 0.00 C ATOM 899 O GLY 1 65 -14.200 -16.213 -9.608 1.00 0.00 O ATOM 0 H GLY 1 65 -15.515 -13.968 -10.921 1.00 0.00 H new ATOM 0 HA2 GLY 1 65 -16.628 -16.172 -10.626 1.00 0.00 H new ATOM 0 HA3 GLY 1 65 -16.066 -16.576 -12.236 1.00 0.00 H new ATOM 903 N ASP 1 66 -13.762 -17.217 -11.574 1.00 0.00 N ATOM 904 CA ASP 1 66 -12.476 -17.749 -11.144 1.00 0.00 C ATOM 905 C ASP 1 66 -11.815 -18.558 -12.255 1.00 0.00 C ATOM 906 O ASP 1 66 -12.050 -19.759 -12.393 1.00 0.00 O ATOM 907 CB ASP 1 66 -12.642 -18.613 -9.891 1.00 0.00 C ATOM 908 CG ASP 1 66 -12.256 -17.875 -8.624 1.00 0.00 C ATOM 909 OD1 ASP 1 66 -11.430 -16.942 -8.709 1.00 0.00 O ATOM 910 OD2 ASP 1 66 -12.780 -18.229 -7.548 1.00 0.00 O ATOM 0 H ASP 1 66 -14.016 -17.453 -12.533 1.00 0.00 H new ATOM 0 HA ASP 1 66 -11.830 -16.904 -10.906 1.00 0.00 H new ATOM 0 HB2 ASP 1 66 -13.678 -18.942 -9.815 1.00 0.00 H new ATOM 0 HB3 ASP 1 66 -12.029 -19.509 -9.987 1.00 0.00 H new ATOM 915 N TRP 1 67 -10.984 -17.884 -13.037 1.00 0.00 N ATOM 916 CA TRP 1 67 -10.269 -18.517 -14.141 1.00 0.00 C ATOM 917 C TRP 1 67 -8.769 -18.380 -13.938 1.00 0.00 C ATOM 918 O TRP 1 67 -8.062 -19.354 -13.680 1.00 0.00 O ATOM 919 CB TRP 1 67 -10.663 -17.873 -15.476 1.00 0.00 C ATOM 920 CG TRP 1 67 -11.550 -16.671 -15.329 1.00 0.00 C ATOM 921 CD1 TRP 1 67 -11.227 -15.459 -14.779 1.00 0.00 C ATOM 922 CD2 TRP 1 67 -12.914 -16.572 -15.738 1.00 0.00 C ATOM 923 NE1 TRP 1 67 -12.310 -14.624 -14.816 1.00 0.00 N ATOM 924 CE2 TRP 1 67 -13.357 -15.280 -15.406 1.00 0.00 C ATOM 925 CE3 TRP 1 67 -13.801 -17.453 -16.355 1.00 0.00 C ATOM 926 CZ2 TRP 1 67 -14.651 -14.850 -15.671 1.00 0.00 C ATOM 927 CZ3 TRP 1 67 -15.088 -17.025 -16.619 1.00 0.00 C ATOM 928 CH2 TRP 1 67 -15.503 -15.732 -16.278 1.00 0.00 C ATOM 0 H TRP 1 67 -10.786 -16.889 -12.927 1.00 0.00 H new ATOM 0 HA TRP 1 67 -10.538 -19.573 -14.163 1.00 0.00 H new ATOM 0 HB2 TRP 1 67 -9.758 -17.582 -16.010 1.00 0.00 H new ATOM 0 HB3 TRP 1 67 -11.171 -18.615 -16.091 1.00 0.00 H new ATOM 0 HD1 TRP 1 67 -10.259 -15.200 -14.375 1.00 0.00 H new ATOM 0 HE1 TRP 1 67 -12.334 -13.668 -14.462 1.00 0.00 H new ATOM 0 HE3 TRP 1 67 -13.488 -18.452 -16.622 1.00 0.00 H new ATOM 0 HZ2 TRP 1 67 -14.974 -13.854 -15.407 1.00 0.00 H new ATOM 0 HZ3 TRP 1 67 -15.785 -17.698 -17.096 1.00 0.00 H new ATOM 0 HH2 TRP 1 67 -16.515 -15.425 -16.498 1.00 0.00 H new ATOM 939 N ASN 1 68 -8.306 -17.147 -14.056 1.00 0.00 N ATOM 940 CA ASN 1 68 -6.901 -16.819 -13.889 1.00 0.00 C ATOM 941 C ASN 1 68 -6.686 -16.155 -12.541 1.00 0.00 C ATOM 942 O ASN 1 68 -5.667 -16.362 -11.883 1.00 0.00 O ATOM 943 CB ASN 1 68 -6.445 -15.870 -14.996 1.00 0.00 C ATOM 944 CG ASN 1 68 -7.136 -16.140 -16.321 1.00 0.00 C ATOM 945 OD1 ASN 1 68 -8.391 -15.711 -16.435 1.00 0.00 O flip ATOM 946 ND2 ASN 1 68 -6.550 -16.727 -17.232 1.00 0.00 N flip ATOM 0 H ASN 1 68 -8.896 -16.343 -14.271 1.00 0.00 H new ATOM 0 HA ASN 1 68 -6.319 -17.739 -13.943 1.00 0.00 H new ATOM 0 HB2 ASN 1 68 -6.641 -14.842 -14.691 1.00 0.00 H new ATOM 0 HB3 ASN 1 68 -5.367 -15.963 -15.128 1.00 0.00 H new ATOM 0 HD21 ASN 1 68 -5.588 -17.039 -17.102 1.00 0.00 H new ATOM 0 HD22 ASN 1 68 -7.027 -16.901 -18.116 1.00 0.00 H new ATOM 953 N ASP 1 69 -7.665 -15.351 -12.144 1.00 0.00 N ATOM 954 CA ASP 1 69 -7.610 -14.642 -10.879 1.00 0.00 C ATOM 955 C ASP 1 69 -6.433 -13.682 -10.840 1.00 0.00 C ATOM 956 O ASP 1 69 -5.389 -13.933 -11.443 1.00 0.00 O ATOM 957 CB ASP 1 69 -7.494 -15.627 -9.722 1.00 0.00 C ATOM 958 CG ASP 1 69 -8.795 -16.355 -9.444 1.00 0.00 C ATOM 959 OD1 ASP 1 69 -9.634 -16.443 -10.365 1.00 0.00 O ATOM 960 OD2 ASP 1 69 -8.974 -16.838 -8.307 1.00 0.00 O ATOM 0 H ASP 1 69 -8.511 -15.175 -12.687 1.00 0.00 H new ATOM 0 HA ASP 1 69 -8.533 -14.071 -10.780 1.00 0.00 H new ATOM 0 HB2 ASP 1 69 -6.715 -16.356 -9.947 1.00 0.00 H new ATOM 0 HB3 ASP 1 69 -7.182 -15.093 -8.825 1.00 0.00 H new ATOM 965 N ASP 1 70 -6.603 -12.593 -10.109 1.00 0.00 N ATOM 966 CA ASP 1 70 -5.554 -11.601 -9.966 1.00 0.00 C ATOM 967 C ASP 1 70 -4.800 -11.845 -8.674 1.00 0.00 C ATOM 968 O ASP 1 70 -5.403 -11.912 -7.605 1.00 0.00 O ATOM 969 CB ASP 1 70 -6.153 -10.198 -9.981 1.00 0.00 C ATOM 970 CG ASP 1 70 -5.106 -9.109 -9.839 1.00 0.00 C ATOM 971 OD1 ASP 1 70 -4.111 -9.328 -9.117 1.00 0.00 O ATOM 972 OD2 ASP 1 70 -5.284 -8.035 -10.444 1.00 0.00 O ATOM 0 H ASP 1 70 -7.462 -12.374 -9.604 1.00 0.00 H new ATOM 0 HA ASP 1 70 -4.859 -11.685 -10.802 1.00 0.00 H new ATOM 0 HB2 ASP 1 70 -6.699 -10.051 -10.913 1.00 0.00 H new ATOM 0 HB3 ASP 1 70 -6.876 -10.108 -9.170 1.00 0.00 H new ATOM 977 N TYR 1 71 -3.487 -12.012 -8.771 1.00 0.00 N ATOM 978 CA TYR 1 71 -2.693 -12.292 -7.588 1.00 0.00 C ATOM 979 C TYR 1 71 -1.390 -11.524 -7.529 1.00 0.00 C ATOM 980 O TYR 1 71 -0.748 -11.259 -8.545 1.00 0.00 O ATOM 981 CB TYR 1 71 -2.392 -13.778 -7.521 1.00 0.00 C ATOM 982 CG TYR 1 71 -3.566 -14.578 -7.051 1.00 0.00 C ATOM 983 CD1 TYR 1 71 -3.958 -14.520 -5.730 1.00 0.00 C ATOM 984 CD2 TYR 1 71 -4.282 -15.379 -7.923 1.00 0.00 C ATOM 985 CE1 TYR 1 71 -5.036 -15.239 -5.274 1.00 0.00 C ATOM 986 CE2 TYR 1 71 -5.366 -16.107 -7.486 1.00 0.00 C ATOM 987 CZ TYR 1 71 -5.744 -16.036 -6.156 1.00 0.00 C ATOM 988 OH TYR 1 71 -6.825 -16.761 -5.710 1.00 0.00 O ATOM 0 H TYR 1 71 -2.959 -11.959 -9.642 1.00 0.00 H new ATOM 0 HA TYR 1 71 -3.290 -11.967 -6.736 1.00 0.00 H new ATOM 0 HB2 TYR 1 71 -2.088 -14.129 -8.507 1.00 0.00 H new ATOM 0 HB3 TYR 1 71 -1.550 -13.945 -6.850 1.00 0.00 H new ATOM 0 HD1 TYR 1 71 -3.407 -13.897 -5.041 1.00 0.00 H new ATOM 0 HD2 TYR 1 71 -3.987 -15.434 -8.960 1.00 0.00 H new ATOM 0 HE1 TYR 1 71 -5.328 -15.183 -4.236 1.00 0.00 H new ATOM 0 HE2 TYR 1 71 -5.917 -16.729 -8.176 1.00 0.00 H new ATOM 0 HH TYR 1 71 -7.210 -17.266 -6.456 1.00 0.00 H new ATOM 998 N CYS 1 72 -1.004 -11.199 -6.305 1.00 0.00 N ATOM 999 CA CYS 1 72 0.234 -10.488 -6.046 1.00 0.00 C ATOM 1000 C CYS 1 72 1.429 -11.410 -6.259 1.00 0.00 C ATOM 1001 O CYS 1 72 1.278 -12.631 -6.315 1.00 0.00 O ATOM 1002 CB CYS 1 72 0.234 -9.957 -4.616 1.00 0.00 C ATOM 1003 SG CYS 1 72 1.453 -8.641 -4.319 1.00 0.00 S ATOM 0 H CYS 1 72 -1.540 -11.421 -5.466 1.00 0.00 H new ATOM 0 HA CYS 1 72 0.312 -9.651 -6.740 1.00 0.00 H new ATOM 0 HB2 CYS 1 72 -0.760 -9.578 -4.380 1.00 0.00 H new ATOM 0 HB3 CYS 1 72 0.431 -10.783 -3.932 1.00 0.00 H new ATOM 1008 N THR 1 73 2.614 -10.823 -6.378 1.00 0.00 N ATOM 1009 CA THR 1 73 3.831 -11.600 -6.587 1.00 0.00 C ATOM 1010 C THR 1 73 4.865 -11.316 -5.497 1.00 0.00 C ATOM 1011 O THR 1 73 6.004 -11.776 -5.577 1.00 0.00 O ATOM 1012 CB THR 1 73 4.420 -11.291 -7.964 1.00 0.00 C ATOM 1013 OG1 THR 1 73 5.183 -10.098 -7.928 1.00 0.00 O ATOM 1014 CG2 THR 1 73 3.366 -11.130 -9.041 1.00 0.00 C ATOM 0 H THR 1 73 2.759 -9.814 -6.334 1.00 0.00 H new ATOM 0 HA THR 1 73 3.570 -12.657 -6.536 1.00 0.00 H new ATOM 0 HB THR 1 73 5.044 -12.150 -8.212 1.00 0.00 H new ATOM 0 HG1 THR 1 73 5.552 -9.919 -8.818 1.00 0.00 H new ATOM 0 HG21 THR 1 73 3.849 -10.912 -9.993 1.00 0.00 H new ATOM 0 HG22 THR 1 73 2.791 -12.052 -9.128 1.00 0.00 H new ATOM 0 HG23 THR 1 73 2.698 -10.310 -8.777 1.00 0.00 H new ATOM 1022 N GLY 1 74 4.462 -10.558 -4.478 1.00 0.00 N ATOM 1023 CA GLY 1 74 5.365 -10.229 -3.388 1.00 0.00 C ATOM 1024 C GLY 1 74 6.678 -9.639 -3.867 1.00 0.00 C ATOM 1025 O GLY 1 74 7.685 -9.702 -3.163 1.00 0.00 O ATOM 0 H GLY 1 74 3.525 -10.166 -4.389 1.00 0.00 H new ATOM 0 HA2 GLY 1 74 4.876 -9.520 -2.719 1.00 0.00 H new ATOM 0 HA3 GLY 1 74 5.567 -11.128 -2.806 1.00 0.00 H new ATOM 1029 N LYS 1 75 6.671 -9.067 -5.068 1.00 0.00 N ATOM 1030 CA LYS 1 75 7.875 -8.468 -5.633 1.00 0.00 C ATOM 1031 C LYS 1 75 7.572 -7.129 -6.303 1.00 0.00 C ATOM 1032 O LYS 1 75 8.408 -6.590 -7.029 1.00 0.00 O ATOM 1033 CB LYS 1 75 8.514 -9.418 -6.650 1.00 0.00 C ATOM 1034 CG LYS 1 75 8.787 -10.811 -6.102 1.00 0.00 C ATOM 1035 CD LYS 1 75 8.306 -11.890 -7.057 1.00 0.00 C ATOM 1036 CE LYS 1 75 9.449 -12.447 -7.891 1.00 0.00 C ATOM 1037 NZ LYS 1 75 9.656 -11.664 -9.141 1.00 0.00 N ATOM 0 H LYS 1 75 5.847 -9.006 -5.667 1.00 0.00 H new ATOM 0 HA LYS 1 75 8.571 -8.291 -4.813 1.00 0.00 H new ATOM 0 HB2 LYS 1 75 7.859 -9.501 -7.517 1.00 0.00 H new ATOM 0 HB3 LYS 1 75 9.451 -8.985 -6.999 1.00 0.00 H new ATOM 0 HG2 LYS 1 75 9.856 -10.930 -5.925 1.00 0.00 H new ATOM 0 HG3 LYS 1 75 8.290 -10.928 -5.139 1.00 0.00 H new ATOM 0 HD2 LYS 1 75 7.841 -12.697 -6.491 1.00 0.00 H new ATOM 0 HD3 LYS 1 75 7.540 -11.480 -7.715 1.00 0.00 H new ATOM 0 HE2 LYS 1 75 10.366 -12.439 -7.302 1.00 0.00 H new ATOM 0 HE3 LYS 1 75 9.241 -13.487 -8.144 1.00 0.00 H new ATOM 0 HZ1 LYS 1 75 10.444 -12.075 -9.682 1.00 0.00 H new ATOM 0 HZ2 LYS 1 75 8.790 -11.692 -9.716 1.00 0.00 H new ATOM 0 HZ3 LYS 1 75 9.880 -10.677 -8.900 1.00 0.00 H new ATOM 1051 N SER 1 76 6.378 -6.593 -6.063 1.00 0.00 N ATOM 1052 CA SER 1 76 5.989 -5.318 -6.655 1.00 0.00 C ATOM 1053 C SER 1 76 4.708 -4.781 -6.025 1.00 0.00 C ATOM 1054 O SER 1 76 3.995 -5.501 -5.327 1.00 0.00 O ATOM 1055 CB SER 1 76 5.800 -5.472 -8.165 1.00 0.00 C ATOM 1056 OG SER 1 76 7.007 -5.211 -8.860 1.00 0.00 O ATOM 0 H SER 1 76 5.668 -7.019 -5.467 1.00 0.00 H new ATOM 0 HA SER 1 76 6.789 -4.603 -6.462 1.00 0.00 H new ATOM 0 HB2 SER 1 76 5.458 -6.482 -8.391 1.00 0.00 H new ATOM 0 HB3 SER 1 76 5.024 -4.788 -8.509 1.00 0.00 H new ATOM 0 HG SER 1 76 7.753 -5.640 -8.392 1.00 0.00 H new ATOM 1062 N SER 1 77 4.425 -3.508 -6.283 1.00 0.00 N ATOM 1063 CA SER 1 77 3.231 -2.854 -5.752 1.00 0.00 C ATOM 1064 C SER 1 77 2.038 -3.036 -6.686 1.00 0.00 C ATOM 1065 O SER 1 77 1.001 -2.396 -6.512 1.00 0.00 O ATOM 1066 CB SER 1 77 3.498 -1.364 -5.535 1.00 0.00 C ATOM 1067 OG SER 1 77 3.980 -0.755 -6.721 1.00 0.00 O ATOM 0 H SER 1 77 5.010 -2.904 -6.861 1.00 0.00 H new ATOM 0 HA SER 1 77 2.990 -3.321 -4.797 1.00 0.00 H new ATOM 0 HB2 SER 1 77 2.581 -0.870 -5.215 1.00 0.00 H new ATOM 0 HB3 SER 1 77 4.226 -1.234 -4.734 1.00 0.00 H new ATOM 0 HG SER 1 77 4.142 0.198 -6.557 1.00 0.00 H new ATOM 1073 N ASP 1 78 2.187 -3.913 -7.674 1.00 0.00 N ATOM 1074 CA ASP 1 78 1.115 -4.172 -8.627 1.00 0.00 C ATOM 1075 C ASP 1 78 0.670 -5.629 -8.561 1.00 0.00 C ATOM 1076 O ASP 1 78 1.472 -6.524 -8.292 1.00 0.00 O ATOM 1077 CB ASP 1 78 1.569 -3.826 -10.046 1.00 0.00 C ATOM 1078 CG ASP 1 78 1.354 -2.364 -10.383 1.00 0.00 C ATOM 1079 OD1 ASP 1 78 0.236 -2.011 -10.813 1.00 0.00 O ATOM 1080 OD2 ASP 1 78 2.304 -1.570 -10.215 1.00 0.00 O ATOM 0 H ASP 1 78 3.037 -4.454 -7.835 1.00 0.00 H new ATOM 0 HA ASP 1 78 0.267 -3.540 -8.363 1.00 0.00 H new ATOM 0 HB2 ASP 1 78 2.626 -4.069 -10.156 1.00 0.00 H new ATOM 0 HB3 ASP 1 78 1.024 -4.444 -10.759 1.00 0.00 H new ATOM 1085 N CYS 1 79 -0.615 -5.855 -8.801 1.00 0.00 N ATOM 1086 CA CYS 1 79 -1.183 -7.198 -8.763 1.00 0.00 C ATOM 1087 C CYS 1 79 -1.720 -7.612 -10.134 1.00 0.00 C ATOM 1088 O CYS 1 79 -2.802 -7.182 -10.532 1.00 0.00 O ATOM 1089 CB CYS 1 79 -2.316 -7.243 -7.738 1.00 0.00 C ATOM 1090 SG CYS 1 79 -2.082 -8.477 -6.423 1.00 0.00 S ATOM 0 H CYS 1 79 -1.288 -5.122 -9.025 1.00 0.00 H new ATOM 0 HA CYS 1 79 -0.394 -7.895 -8.480 1.00 0.00 H new ATOM 0 HB2 CYS 1 79 -2.418 -6.258 -7.283 1.00 0.00 H new ATOM 0 HB3 CYS 1 79 -3.252 -7.453 -8.256 1.00 0.00 H new ATOM 1095 N PRO 1 80 -0.991 -8.467 -10.874 1.00 0.00 N ATOM 1096 CA PRO 1 80 -1.440 -8.934 -12.190 1.00 0.00 C ATOM 1097 C PRO 1 80 -2.795 -9.623 -12.085 1.00 0.00 C ATOM 1098 O PRO 1 80 -3.058 -10.328 -11.112 1.00 0.00 O ATOM 1099 CB PRO 1 80 -0.355 -9.929 -12.622 1.00 0.00 C ATOM 1100 CG PRO 1 80 0.386 -10.273 -11.374 1.00 0.00 C ATOM 1101 CD PRO 1 80 0.299 -9.061 -10.490 1.00 0.00 C ATOM 0 HA PRO 1 80 -1.569 -8.119 -12.903 1.00 0.00 H new ATOM 0 HB2 PRO 1 80 -0.795 -10.817 -13.075 1.00 0.00 H new ATOM 0 HB3 PRO 1 80 0.310 -9.488 -13.365 1.00 0.00 H new ATOM 0 HG2 PRO 1 80 -0.054 -11.143 -10.887 1.00 0.00 H new ATOM 0 HG3 PRO 1 80 1.424 -10.522 -11.593 1.00 0.00 H new ATOM 0 HD2 PRO 1 80 0.322 -9.329 -9.434 1.00 0.00 H new ATOM 0 HD3 PRO 1 80 1.128 -8.374 -10.663 1.00 0.00 H new ATOM 1109 N TRP 1 81 -3.661 -9.416 -13.074 1.00 0.00 N ATOM 1110 CA TRP 1 81 -4.983 -10.025 -13.042 1.00 0.00 C ATOM 1111 C TRP 1 81 -5.171 -11.066 -14.142 1.00 0.00 C ATOM 1112 O TRP 1 81 -6.281 -11.541 -14.369 1.00 0.00 O ATOM 1113 CB TRP 1 81 -6.102 -8.978 -13.113 1.00 0.00 C ATOM 1114 CG TRP 1 81 -5.792 -7.711 -13.862 1.00 0.00 C ATOM 1115 CD1 TRP 1 81 -4.642 -6.967 -13.850 1.00 0.00 C ATOM 1116 CD2 TRP 1 81 -6.706 -7.011 -14.697 1.00 0.00 C ATOM 1117 NE1 TRP 1 81 -4.791 -5.860 -14.651 1.00 0.00 N ATOM 1118 CE2 TRP 1 81 -6.053 -5.866 -15.180 1.00 0.00 C ATOM 1119 CE3 TRP 1 81 -8.019 -7.257 -15.088 1.00 0.00 C ATOM 1120 CZ2 TRP 1 81 -6.675 -4.963 -16.033 1.00 0.00 C ATOM 1121 CZ3 TRP 1 81 -8.638 -6.362 -15.932 1.00 0.00 C ATOM 1122 CH2 TRP 1 81 -7.967 -5.226 -16.397 1.00 0.00 C ATOM 0 H TRP 1 81 -3.473 -8.840 -13.895 1.00 0.00 H new ATOM 0 HA TRP 1 81 -5.051 -10.535 -12.081 1.00 0.00 H new ATOM 0 HB2 TRP 1 81 -6.974 -9.442 -13.574 1.00 0.00 H new ATOM 0 HB3 TRP 1 81 -6.384 -8.711 -12.095 1.00 0.00 H new ATOM 0 HD1 TRP 1 81 -3.750 -7.214 -13.293 1.00 0.00 H new ATOM 0 HE1 TRP 1 81 -4.078 -5.151 -14.823 1.00 0.00 H new ATOM 0 HE3 TRP 1 81 -8.543 -8.134 -14.736 1.00 0.00 H new ATOM 0 HZ2 TRP 1 81 -6.158 -4.087 -16.395 1.00 0.00 H new ATOM 0 HZ3 TRP 1 81 -9.658 -6.540 -16.240 1.00 0.00 H new ATOM 0 HH2 TRP 1 81 -8.480 -4.542 -17.057 1.00 0.00 H new ATOM 1133 N ASN 1 82 -4.082 -11.429 -14.805 1.00 0.00 N ATOM 1134 CA ASN 1 82 -4.112 -12.429 -15.875 1.00 0.00 C ATOM 1135 C ASN 1 82 -5.352 -12.286 -16.760 1.00 0.00 C ATOM 1136 O ASN 1 82 -5.874 -13.277 -17.271 1.00 0.00 O ATOM 1137 CB ASN 1 82 -4.062 -13.837 -15.280 1.00 0.00 C ATOM 1138 CG ASN 1 82 -2.709 -14.163 -14.678 1.00 0.00 C ATOM 1139 OD1 ASN 1 82 -1.810 -14.646 -15.367 1.00 0.00 O ATOM 1140 ND2 ASN 1 82 -2.557 -13.899 -13.386 1.00 0.00 N ATOM 0 H ASN 1 82 -3.155 -11.044 -14.622 1.00 0.00 H new ATOM 0 HA ASN 1 82 -3.236 -12.262 -16.501 1.00 0.00 H new ATOM 0 HB2 ASN 1 82 -4.830 -13.932 -14.513 1.00 0.00 H new ATOM 0 HB3 ASN 1 82 -4.296 -14.565 -16.057 1.00 0.00 H new ATOM 0 HD21 ASN 1 82 -1.668 -14.096 -12.926 1.00 0.00 H new ATOM 0 HD22 ASN 1 82 -3.329 -13.499 -12.853 1.00 0.00 H new ATOM 1147 N HIS 1 83 -5.818 -11.054 -16.939 1.00 0.00 N ATOM 1148 CA HIS 1 83 -6.995 -10.797 -17.765 1.00 0.00 C ATOM 1149 C HIS 1 83 -6.697 -9.741 -18.825 1.00 0.00 C ATOM 1150 O HIS 1 83 -6.843 -10.052 -20.026 1.00 0.00 O ATOM 1151 CB HIS 1 83 -8.170 -10.347 -16.895 1.00 0.00 C ATOM 1152 CG HIS 1 83 -8.486 -11.303 -15.790 1.00 0.00 C ATOM 1153 ND1 HIS 1 83 -8.763 -10.900 -14.501 1.00 0.00 N ATOM 1154 CD2 HIS 1 83 -8.545 -12.655 -15.780 1.00 0.00 C ATOM 1155 CE1 HIS 1 83 -8.975 -11.963 -13.747 1.00 0.00 C ATOM 1156 NE2 HIS 1 83 -8.850 -13.041 -14.499 1.00 0.00 N ATOM 1157 OXT HIS 1 83 -6.321 -8.612 -18.445 1.00 0.00 O ATOM 0 H HIS 1 83 -5.401 -10.220 -16.525 1.00 0.00 H new ATOM 0 HA HIS 1 83 -7.262 -11.726 -18.269 1.00 0.00 H new ATOM 0 HB2 HIS 1 83 -7.944 -9.370 -16.468 1.00 0.00 H new ATOM 0 HB3 HIS 1 83 -9.052 -10.224 -17.523 1.00 0.00 H new ATOM 0 HD1 HIS 1 83 -8.799 -9.932 -14.180 1.00 0.00 H new ATOM 0 HD2 HIS 1 83 -8.382 -13.309 -16.624 1.00 0.00 H new ATOM 0 HE1 HIS 1 83 -9.211 -11.952 -12.693 1.00 0.00 H new