USER MOD reduce.3.24.130724 H: found=0, std=0, add=533, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 533 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= -0.7 F(o=-9.8,f=-7.5) USER MOD Set 1.2: 1 83 HIS : no HE2:sc= -6.8 K(o=-7.5,f=-10!) USER MOD Set 2.1: 1 37 THR OG1 : rot 28:sc= -1.91 USER MOD Set 2.2: 1 40 SER OG : rot -87:sc= 0.981 USER MOD Single : 1 7 ASN :FLIP amide:sc= -2.11 F(o=-2.8,f=-2.1) USER MOD Single : 1 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 12 GLN :FLIP amide:sc= -3.39! F(o=-4,f=-3.4!) USER MOD Single : 1 20 SER OG : rot 180:sc= -0.0558 USER MOD Single : 1 23 ASN : amide:sc= -0.0173 X(o=-0.017,f=-0.48) USER MOD Single : 1 25 GLN : amide:sc= -0.116 X(o=-0.12,f=0) USER MOD Single : 1 30 ASN :FLIP amide:sc= -1.12 F(o=-5!,f=-1.1) USER MOD Single : 1 33 THR OG1 : rot 150:sc= -0.0961 USER MOD Single : 1 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 41 GLN : amide:sc= -0.0245 X(o=-0.025,f=0) USER MOD Single : 1 43 ASN :FLIP amide:sc= -3.03 F(o=-4.4,f=-3) USER MOD Single : 1 44 TYR OH : rot 180:sc= 0 USER MOD Single : 1 50 GLN : amide:sc= 0 X(o=0,f=-0.024) USER MOD Single : 1 54 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0854) USER MOD Single : 1 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 58 THR OG1 : rot 73:sc= 0.448 USER MOD Single : 1 71 TYR OH : rot 180:sc= 0 USER MOD Single : 1 73 THR OG1 : rot 180:sc= 0.00358 USER MOD Single : 1 75 LYS NZ :NH3+ -159:sc= -0.0234 (180deg=-0.297) USER MOD Single : 1 76 SER OG : rot 180:sc= 0 USER MOD Single : 1 77 SER OG : rot 180:sc= 0 USER MOD Single : 1 82 ASN : amide:sc= -0.0406 X(o=-0.041,f=-0.31) USER MOD ----------------------------------------------------------------- ATOM 28 N PRO 1 3 15.826 0.827 -7.724 1.00 0.00 N ATOM 29 CA PRO 1 3 14.988 1.773 -6.984 1.00 0.00 C ATOM 30 C PRO 1 3 15.333 3.220 -7.314 1.00 0.00 C ATOM 31 O PRO 1 3 16.323 3.758 -6.820 1.00 0.00 O ATOM 32 CB PRO 1 3 15.302 1.471 -5.508 1.00 0.00 C ATOM 33 CG PRO 1 3 16.099 0.208 -5.515 1.00 0.00 C ATOM 34 CD PRO 1 3 16.792 0.164 -6.843 1.00 0.00 C ATOM 0 HA PRO 1 3 13.933 1.660 -7.234 1.00 0.00 H new ATOM 0 HB2 PRO 1 3 15.864 2.286 -5.053 1.00 0.00 H new ATOM 0 HB3 PRO 1 3 14.386 1.353 -4.929 1.00 0.00 H new ATOM 0 HG2 PRO 1 3 16.820 0.197 -4.698 1.00 0.00 H new ATOM 0 HG3 PRO 1 3 15.454 -0.661 -5.382 1.00 0.00 H new ATOM 0 HD2 PRO 1 3 17.747 0.688 -6.820 1.00 0.00 H new ATOM 0 HD3 PRO 1 3 16.997 -0.858 -7.161 1.00 0.00 H new ATOM 42 N VAL 1 4 14.515 3.847 -8.156 1.00 0.00 N ATOM 43 CA VAL 1 4 14.745 5.234 -8.548 1.00 0.00 C ATOM 44 C VAL 1 4 13.568 6.133 -8.177 1.00 0.00 C ATOM 45 O VAL 1 4 12.476 5.999 -8.729 1.00 0.00 O ATOM 46 CB VAL 1 4 15.013 5.353 -10.063 1.00 0.00 C ATOM 47 CG1 VAL 1 4 16.508 5.390 -10.338 1.00 0.00 C ATOM 48 CG2 VAL 1 4 14.356 4.206 -10.818 1.00 0.00 C ATOM 0 H VAL 1 4 13.691 3.419 -8.578 1.00 0.00 H new ATOM 0 HA VAL 1 4 15.626 5.566 -7.999 1.00 0.00 H new ATOM 0 HB VAL 1 4 14.575 6.287 -10.416 1.00 0.00 H new ATOM 0 HG11 VAL 1 4 16.679 5.474 -11.411 1.00 0.00 H new ATOM 0 HG12 VAL 1 4 16.950 6.248 -9.832 1.00 0.00 H new ATOM 0 HG13 VAL 1 4 16.969 4.474 -9.968 1.00 0.00 H new ATOM 0 HG21 VAL 1 4 14.558 4.310 -11.884 1.00 0.00 H new ATOM 0 HG22 VAL 1 4 14.760 3.258 -10.463 1.00 0.00 H new ATOM 0 HG23 VAL 1 4 13.279 4.228 -10.648 1.00 0.00 H new ATOM 58 N CYS 1 5 13.804 7.069 -7.260 1.00 0.00 N ATOM 59 CA CYS 1 5 12.766 8.009 -6.847 1.00 0.00 C ATOM 60 C CYS 1 5 12.680 9.132 -7.873 1.00 0.00 C ATOM 61 O CYS 1 5 13.523 10.029 -7.903 1.00 0.00 O ATOM 62 CB CYS 1 5 13.069 8.563 -5.446 1.00 0.00 C ATOM 63 SG CYS 1 5 12.231 10.134 -5.030 1.00 0.00 S ATOM 0 H CYS 1 5 14.701 7.196 -6.791 1.00 0.00 H new ATOM 0 HA CYS 1 5 11.805 7.497 -6.797 1.00 0.00 H new ATOM 0 HB2 CYS 1 5 12.786 7.813 -4.708 1.00 0.00 H new ATOM 0 HB3 CYS 1 5 14.145 8.709 -5.356 1.00 0.00 H new ATOM 68 N GLY 1 6 11.678 9.049 -8.735 1.00 0.00 N ATOM 69 CA GLY 1 6 11.513 10.032 -9.784 1.00 0.00 C ATOM 70 C GLY 1 6 11.741 9.407 -11.144 1.00 0.00 C ATOM 71 O GLY 1 6 12.185 10.068 -12.083 1.00 0.00 O ATOM 0 H GLY 1 6 10.972 8.313 -8.726 1.00 0.00 H new ATOM 0 HA2 GLY 1 6 10.510 10.456 -9.737 1.00 0.00 H new ATOM 0 HA3 GLY 1 6 12.214 10.853 -9.633 1.00 0.00 H new ATOM 75 N ASN 1 7 11.431 8.118 -11.235 1.00 0.00 N ATOM 76 CA ASN 1 7 11.589 7.358 -12.465 1.00 0.00 C ATOM 77 C ASN 1 7 10.277 6.674 -12.828 1.00 0.00 C ATOM 78 O ASN 1 7 10.196 5.938 -13.812 1.00 0.00 O ATOM 79 CB ASN 1 7 12.690 6.309 -12.289 1.00 0.00 C ATOM 80 CG ASN 1 7 14.038 6.797 -12.782 1.00 0.00 C ATOM 81 OD1 ASN 1 7 14.511 7.902 -12.216 1.00 0.00 O flip ATOM 82 ND2 ASN 1 7 14.648 6.189 -13.662 1.00 0.00 N flip ATOM 0 H ASN 1 7 11.063 7.572 -10.456 1.00 0.00 H new ATOM 0 HA ASN 1 7 11.868 8.039 -13.269 1.00 0.00 H new ATOM 0 HB2 ASN 1 7 12.767 6.041 -11.235 1.00 0.00 H new ATOM 0 HB3 ASN 1 7 12.415 5.403 -12.829 1.00 0.00 H new ATOM 0 HD21 ASN 1 7 14.247 5.344 -14.069 1.00 0.00 H new ATOM 0 HD22 ASN 1 7 15.554 6.530 -13.984 1.00 0.00 H new ATOM 89 N LYS 1 8 9.254 6.920 -12.012 1.00 0.00 N ATOM 90 CA LYS 1 8 7.937 6.337 -12.214 1.00 0.00 C ATOM 91 C LYS 1 8 7.903 4.892 -11.726 1.00 0.00 C ATOM 92 O LYS 1 8 7.039 4.112 -12.127 1.00 0.00 O ATOM 93 CB LYS 1 8 7.523 6.406 -13.687 1.00 0.00 C ATOM 94 CG LYS 1 8 6.018 6.364 -13.899 1.00 0.00 C ATOM 95 CD LYS 1 8 5.666 6.258 -15.373 1.00 0.00 C ATOM 96 CE LYS 1 8 4.427 7.072 -15.710 1.00 0.00 C ATOM 97 NZ LYS 1 8 4.774 8.401 -16.284 1.00 0.00 N ATOM 0 H LYS 1 8 9.318 7.528 -11.195 1.00 0.00 H new ATOM 0 HA LYS 1 8 7.225 6.919 -11.630 1.00 0.00 H new ATOM 0 HB2 LYS 1 8 7.918 7.323 -14.124 1.00 0.00 H new ATOM 0 HB3 LYS 1 8 7.980 5.575 -14.224 1.00 0.00 H new ATOM 0 HG2 LYS 1 8 5.597 5.514 -13.361 1.00 0.00 H new ATOM 0 HG3 LYS 1 8 5.565 7.262 -13.479 1.00 0.00 H new ATOM 0 HD2 LYS 1 8 6.506 6.606 -15.975 1.00 0.00 H new ATOM 0 HD3 LYS 1 8 5.498 5.213 -15.634 1.00 0.00 H new ATOM 0 HE2 LYS 1 8 3.812 6.519 -16.420 1.00 0.00 H new ATOM 0 HE3 LYS 1 8 3.828 7.211 -14.810 1.00 0.00 H new ATOM 0 HZ1 LYS 1 8 3.902 8.924 -16.500 1.00 0.00 H new ATOM 0 HZ2 LYS 1 8 5.339 8.939 -15.597 1.00 0.00 H new ATOM 0 HZ3 LYS 1 8 5.324 8.269 -17.157 1.00 0.00 H new ATOM 111 N ILE 1 9 8.843 4.545 -10.851 1.00 0.00 N ATOM 112 CA ILE 1 9 8.915 3.201 -10.301 1.00 0.00 C ATOM 113 C ILE 1 9 8.904 3.250 -8.784 1.00 0.00 C ATOM 114 O ILE 1 9 9.866 3.708 -8.169 1.00 0.00 O ATOM 115 CB ILE 1 9 10.187 2.446 -10.755 1.00 0.00 C ATOM 116 CG1 ILE 1 9 11.020 3.297 -11.716 1.00 0.00 C ATOM 117 CG2 ILE 1 9 9.818 1.119 -11.398 1.00 0.00 C ATOM 118 CD1 ILE 1 9 12.286 2.613 -12.180 1.00 0.00 C ATOM 0 H ILE 1 9 9.565 5.179 -10.509 1.00 0.00 H new ATOM 0 HA ILE 1 9 8.042 2.666 -10.675 1.00 0.00 H new ATOM 0 HB ILE 1 9 10.794 2.247 -9.872 1.00 0.00 H new ATOM 0 HG12 ILE 1 9 10.413 3.550 -12.585 1.00 0.00 H new ATOM 0 HG13 ILE 1 9 11.281 4.235 -11.226 1.00 0.00 H new ATOM 0 HG21 ILE 1 9 10.725 0.602 -11.711 1.00 0.00 H new ATOM 0 HG22 ILE 1 9 9.279 0.503 -10.678 1.00 0.00 H new ATOM 0 HG23 ILE 1 9 9.185 1.299 -12.267 1.00 0.00 H new ATOM 0 HD11 ILE 1 9 12.828 3.272 -12.858 1.00 0.00 H new ATOM 0 HD12 ILE 1 9 12.913 2.384 -11.318 1.00 0.00 H new ATOM 0 HD13 ILE 1 9 12.031 1.689 -12.699 1.00 0.00 H new ATOM 130 N LEU 1 10 7.824 2.771 -8.184 1.00 0.00 N ATOM 131 CA LEU 1 10 7.708 2.753 -6.731 1.00 0.00 C ATOM 132 C LEU 1 10 8.665 1.719 -6.148 1.00 0.00 C ATOM 133 O LEU 1 10 8.249 0.756 -5.503 1.00 0.00 O ATOM 134 CB LEU 1 10 6.269 2.444 -6.310 1.00 0.00 C ATOM 135 CG LEU 1 10 5.732 1.087 -6.767 1.00 0.00 C ATOM 136 CD1 LEU 1 10 4.669 0.586 -5.802 1.00 0.00 C ATOM 137 CD2 LEU 1 10 5.173 1.183 -8.178 1.00 0.00 C ATOM 0 H LEU 1 10 7.017 2.390 -8.678 1.00 0.00 H new ATOM 0 HA LEU 1 10 7.972 3.738 -6.346 1.00 0.00 H new ATOM 0 HB2 LEU 1 10 6.207 2.493 -5.223 1.00 0.00 H new ATOM 0 HB3 LEU 1 10 5.617 3.225 -6.702 1.00 0.00 H new ATOM 0 HG LEU 1 10 6.555 0.373 -6.773 1.00 0.00 H new ATOM 0 HD11 LEU 1 10 4.297 -0.381 -6.141 1.00 0.00 H new ATOM 0 HD12 LEU 1 10 5.102 0.480 -4.807 1.00 0.00 H new ATOM 0 HD13 LEU 1 10 3.846 1.299 -5.765 1.00 0.00 H new ATOM 0 HD21 LEU 1 10 4.795 0.208 -8.487 1.00 0.00 H new ATOM 0 HD22 LEU 1 10 4.361 1.910 -8.199 1.00 0.00 H new ATOM 0 HD23 LEU 1 10 5.961 1.500 -8.861 1.00 0.00 H new ATOM 149 N GLU 1 11 9.954 1.926 -6.391 1.00 0.00 N ATOM 150 CA GLU 1 11 10.984 1.020 -5.911 1.00 0.00 C ATOM 151 C GLU 1 11 11.921 1.734 -4.948 1.00 0.00 C ATOM 152 O GLU 1 11 12.308 1.178 -3.920 1.00 0.00 O ATOM 153 CB GLU 1 11 11.766 0.454 -7.093 1.00 0.00 C ATOM 154 CG GLU 1 11 10.927 -0.417 -8.010 1.00 0.00 C ATOM 155 CD GLU 1 11 11.744 -1.485 -8.710 1.00 0.00 C ATOM 156 OE1 GLU 1 11 12.977 -1.315 -8.817 1.00 0.00 O ATOM 157 OE2 GLU 1 11 11.151 -2.491 -9.152 1.00 0.00 O ATOM 0 H GLU 1 11 10.310 2.721 -6.922 1.00 0.00 H new ATOM 0 HA GLU 1 11 10.507 0.200 -5.375 1.00 0.00 H new ATOM 0 HB2 GLU 1 11 12.185 1.278 -7.670 1.00 0.00 H new ATOM 0 HB3 GLU 1 11 12.606 -0.131 -6.717 1.00 0.00 H new ATOM 0 HG2 GLU 1 11 10.136 -0.892 -7.430 1.00 0.00 H new ATOM 0 HG3 GLU 1 11 10.441 0.211 -8.757 1.00 0.00 H new ATOM 164 N GLN 1 12 12.282 2.969 -5.285 1.00 0.00 N ATOM 165 CA GLN 1 12 13.174 3.765 -4.440 1.00 0.00 C ATOM 166 C GLN 1 12 12.496 4.163 -3.123 1.00 0.00 C ATOM 167 O GLN 1 12 12.439 5.342 -2.777 1.00 0.00 O ATOM 168 CB GLN 1 12 13.620 5.024 -5.188 1.00 0.00 C ATOM 169 CG GLN 1 12 14.686 5.829 -4.458 1.00 0.00 C ATOM 170 CD GLN 1 12 16.053 5.176 -4.511 1.00 0.00 C ATOM 171 OE1 GLN 1 12 16.253 4.151 -3.692 1.00 0.00 O flip ATOM 172 NE2 GLN 1 12 16.922 5.591 -5.279 1.00 0.00 N flip ATOM 0 H GLN 1 12 11.973 3.441 -6.134 1.00 0.00 H new ATOM 0 HA GLN 1 12 14.042 3.150 -4.203 1.00 0.00 H new ATOM 0 HB2 GLN 1 12 14.003 4.737 -6.167 1.00 0.00 H new ATOM 0 HB3 GLN 1 12 12.752 5.660 -5.359 1.00 0.00 H new ATOM 0 HG2 GLN 1 12 14.747 6.825 -4.897 1.00 0.00 H new ATOM 0 HG3 GLN 1 12 14.389 5.957 -3.417 1.00 0.00 H new ATOM 0 HE21 GLN 1 12 16.725 6.382 -5.892 1.00 0.00 H new ATOM 0 HE22 GLN 1 12 17.838 5.143 -5.302 1.00 0.00 H new ATOM 181 N GLY 1 13 11.990 3.175 -2.385 1.00 0.00 N ATOM 182 CA GLY 1 13 11.332 3.449 -1.117 1.00 0.00 C ATOM 183 C GLY 1 13 10.352 4.607 -1.198 1.00 0.00 C ATOM 184 O GLY 1 13 10.265 5.419 -0.277 1.00 0.00 O ATOM 0 H GLY 1 13 12.024 2.189 -2.644 1.00 0.00 H new ATOM 0 HA2 GLY 1 13 10.803 2.555 -0.787 1.00 0.00 H new ATOM 0 HA3 GLY 1 13 12.087 3.670 -0.362 1.00 0.00 H new ATOM 188 N GLU 1 14 9.618 4.687 -2.304 1.00 0.00 N ATOM 189 CA GLU 1 14 8.647 5.759 -2.499 1.00 0.00 C ATOM 190 C GLU 1 14 7.243 5.303 -2.120 1.00 0.00 C ATOM 191 O GLU 1 14 6.609 5.877 -1.233 1.00 0.00 O ATOM 192 CB GLU 1 14 8.650 6.227 -3.957 1.00 0.00 C ATOM 193 CG GLU 1 14 10.035 6.320 -4.571 1.00 0.00 C ATOM 194 CD GLU 1 14 10.125 5.611 -5.905 1.00 0.00 C ATOM 195 OE1 GLU 1 14 10.293 4.377 -5.905 1.00 0.00 O ATOM 196 OE2 GLU 1 14 10.024 6.288 -6.949 1.00 0.00 O ATOM 0 H GLU 1 14 9.677 4.024 -3.077 1.00 0.00 H new ATOM 0 HA GLU 1 14 8.936 6.587 -1.851 1.00 0.00 H new ATOM 0 HB2 GLU 1 14 8.046 5.540 -4.550 1.00 0.00 H new ATOM 0 HB3 GLU 1 14 8.171 7.204 -4.015 1.00 0.00 H new ATOM 0 HG2 GLU 1 14 10.302 7.369 -4.702 1.00 0.00 H new ATOM 0 HG3 GLU 1 14 10.763 5.889 -3.884 1.00 0.00 H new ATOM 203 N ASP 1 15 6.760 4.278 -2.815 1.00 0.00 N ATOM 204 CA ASP 1 15 5.420 3.739 -2.581 1.00 0.00 C ATOM 205 C ASP 1 15 4.362 4.624 -3.238 1.00 0.00 C ATOM 206 O ASP 1 15 3.167 4.463 -2.996 1.00 0.00 O ATOM 207 CB ASP 1 15 5.138 3.610 -1.080 1.00 0.00 C ATOM 208 CG ASP 1 15 4.273 2.408 -0.757 1.00 0.00 C ATOM 209 OD1 ASP 1 15 3.233 2.228 -1.425 1.00 0.00 O ATOM 210 OD2 ASP 1 15 4.635 1.646 0.164 1.00 0.00 O ATOM 0 H ASP 1 15 7.279 3.799 -3.551 1.00 0.00 H new ATOM 0 HA ASP 1 15 5.375 2.746 -3.029 1.00 0.00 H new ATOM 0 HB2 ASP 1 15 6.082 3.530 -0.541 1.00 0.00 H new ATOM 0 HB3 ASP 1 15 4.644 4.515 -0.726 1.00 0.00 H new ATOM 215 N CYS 1 16 4.819 5.556 -4.075 1.00 0.00 N ATOM 216 CA CYS 1 16 3.937 6.478 -4.784 1.00 0.00 C ATOM 217 C CYS 1 16 4.755 7.599 -5.412 1.00 0.00 C ATOM 218 O CYS 1 16 4.748 8.734 -4.936 1.00 0.00 O ATOM 219 CB CYS 1 16 2.877 7.059 -3.845 1.00 0.00 C ATOM 220 SG CYS 1 16 1.222 6.312 -4.022 1.00 0.00 S ATOM 0 H CYS 1 16 5.809 5.691 -4.279 1.00 0.00 H new ATOM 0 HA CYS 1 16 3.423 5.924 -5.570 1.00 0.00 H new ATOM 0 HB2 CYS 1 16 3.212 6.931 -2.816 1.00 0.00 H new ATOM 0 HB3 CYS 1 16 2.799 8.131 -4.024 1.00 0.00 H new ATOM 225 N ASP 1 17 5.464 7.266 -6.484 1.00 0.00 N ATOM 226 CA ASP 1 17 6.297 8.235 -7.182 1.00 0.00 C ATOM 227 C ASP 1 17 5.952 8.284 -8.668 1.00 0.00 C ATOM 228 O ASP 1 17 5.371 7.348 -9.216 1.00 0.00 O ATOM 229 CB ASP 1 17 7.776 7.880 -6.994 1.00 0.00 C ATOM 230 CG ASP 1 17 8.687 8.609 -7.965 1.00 0.00 C ATOM 231 OD1 ASP 1 17 8.704 9.858 -7.941 1.00 0.00 O ATOM 232 OD2 ASP 1 17 9.378 7.930 -8.753 1.00 0.00 O ATOM 0 H ASP 1 17 5.478 6.330 -6.889 1.00 0.00 H new ATOM 0 HA ASP 1 17 6.107 9.221 -6.758 1.00 0.00 H new ATOM 0 HB2 ASP 1 17 8.075 8.120 -5.974 1.00 0.00 H new ATOM 0 HB3 ASP 1 17 7.905 6.805 -7.120 1.00 0.00 H new ATOM 237 N CYS 1 18 6.329 9.382 -9.310 1.00 0.00 N ATOM 238 CA CYS 1 18 6.082 9.568 -10.734 1.00 0.00 C ATOM 239 C CYS 1 18 7.385 9.885 -11.462 1.00 0.00 C ATOM 240 O CYS 1 18 8.214 10.645 -10.963 1.00 0.00 O ATOM 241 CB CYS 1 18 5.082 10.701 -10.963 1.00 0.00 C ATOM 242 SG CYS 1 18 3.394 10.349 -10.376 1.00 0.00 S ATOM 0 H CYS 1 18 6.810 10.162 -8.863 1.00 0.00 H new ATOM 0 HA CYS 1 18 5.666 8.641 -11.129 1.00 0.00 H new ATOM 0 HB2 CYS 1 18 5.447 11.598 -10.463 1.00 0.00 H new ATOM 0 HB3 CYS 1 18 5.043 10.924 -12.029 1.00 0.00 H new ATOM 247 N GLY 1 19 7.564 9.306 -12.644 1.00 0.00 N ATOM 248 CA GLY 1 19 8.772 9.555 -13.413 1.00 0.00 C ATOM 249 C GLY 1 19 9.086 11.035 -13.523 1.00 0.00 C ATOM 250 O GLY 1 19 10.247 11.439 -13.466 1.00 0.00 O ATOM 0 H GLY 1 19 6.898 8.671 -13.083 1.00 0.00 H new ATOM 0 HA2 GLY 1 19 9.611 9.041 -12.945 1.00 0.00 H new ATOM 0 HA3 GLY 1 19 8.658 9.134 -14.412 1.00 0.00 H new ATOM 254 N SER 1 20 8.041 11.844 -13.671 1.00 0.00 N ATOM 255 CA SER 1 20 8.196 13.289 -13.778 1.00 0.00 C ATOM 256 C SER 1 20 7.114 14.004 -12.969 1.00 0.00 C ATOM 257 O SER 1 20 5.924 13.759 -13.166 1.00 0.00 O ATOM 258 CB SER 1 20 8.127 13.723 -15.244 1.00 0.00 C ATOM 259 OG SER 1 20 7.462 12.751 -16.033 1.00 0.00 O ATOM 0 H SER 1 20 7.075 11.521 -13.720 1.00 0.00 H new ATOM 0 HA SER 1 20 9.171 13.562 -13.375 1.00 0.00 H new ATOM 0 HB2 SER 1 20 7.605 14.677 -15.320 1.00 0.00 H new ATOM 0 HB3 SER 1 20 9.135 13.880 -15.628 1.00 0.00 H new ATOM 0 HG SER 1 20 7.430 13.053 -16.965 1.00 0.00 H new ATOM 265 N PRO 1 21 7.505 14.900 -12.043 1.00 0.00 N ATOM 266 CA PRO 1 21 6.549 15.640 -11.213 1.00 0.00 C ATOM 267 C PRO 1 21 5.533 16.409 -12.052 1.00 0.00 C ATOM 268 O PRO 1 21 4.433 16.710 -11.589 1.00 0.00 O ATOM 269 CB PRO 1 21 7.426 16.609 -10.406 1.00 0.00 C ATOM 270 CG PRO 1 21 8.751 16.613 -11.090 1.00 0.00 C ATOM 271 CD PRO 1 21 8.895 15.265 -11.732 1.00 0.00 C ATOM 0 HA PRO 1 21 5.958 14.972 -10.587 1.00 0.00 H new ATOM 0 HB2 PRO 1 21 6.991 17.608 -10.387 1.00 0.00 H new ATOM 0 HB3 PRO 1 21 7.520 16.283 -9.370 1.00 0.00 H new ATOM 0 HG2 PRO 1 21 8.802 17.407 -11.836 1.00 0.00 H new ATOM 0 HG3 PRO 1 21 9.556 16.793 -10.378 1.00 0.00 H new ATOM 0 HD2 PRO 1 21 9.512 15.309 -12.630 1.00 0.00 H new ATOM 0 HD3 PRO 1 21 9.361 14.545 -11.060 1.00 0.00 H new ATOM 279 N ALA 1 22 5.906 16.719 -13.290 1.00 0.00 N ATOM 280 CA ALA 1 22 5.023 17.446 -14.194 1.00 0.00 C ATOM 281 C ALA 1 22 4.097 16.488 -14.934 1.00 0.00 C ATOM 282 O ALA 1 22 2.968 16.837 -15.276 1.00 0.00 O ATOM 283 CB ALA 1 22 5.838 18.267 -15.182 1.00 0.00 C ATOM 0 H ALA 1 22 6.813 16.478 -13.689 1.00 0.00 H new ATOM 0 HA ALA 1 22 4.408 18.123 -13.601 1.00 0.00 H new ATOM 0 HB1 ALA 1 22 5.165 18.804 -15.851 1.00 0.00 H new ATOM 0 HB2 ALA 1 22 6.456 18.981 -14.639 1.00 0.00 H new ATOM 0 HB3 ALA 1 22 6.477 17.604 -15.766 1.00 0.00 H new ATOM 289 N ASN 1 23 4.583 15.273 -15.168 1.00 0.00 N ATOM 290 CA ASN 1 23 3.802 14.253 -15.857 1.00 0.00 C ATOM 291 C ASN 1 23 3.352 13.173 -14.878 1.00 0.00 C ATOM 292 O ASN 1 23 3.052 12.046 -15.273 1.00 0.00 O ATOM 293 CB ASN 1 23 4.621 13.627 -16.988 1.00 0.00 C ATOM 294 CG ASN 1 23 3.792 13.378 -18.232 1.00 0.00 C ATOM 295 OD1 ASN 1 23 2.583 13.160 -18.154 1.00 0.00 O ATOM 296 ND2 ASN 1 23 4.440 13.408 -19.391 1.00 0.00 N ATOM 0 H ASN 1 23 5.517 14.971 -14.890 1.00 0.00 H new ATOM 0 HA ASN 1 23 2.919 14.728 -16.284 1.00 0.00 H new ATOM 0 HB2 ASN 1 23 5.455 14.284 -17.236 1.00 0.00 H new ATOM 0 HB3 ASN 1 23 5.049 12.685 -16.645 1.00 0.00 H new ATOM 0 HD21 ASN 1 23 3.935 13.247 -20.262 1.00 0.00 H new ATOM 0 HD22 ASN 1 23 5.443 13.592 -19.410 1.00 0.00 H new ATOM 303 N CYS 1 24 3.315 13.528 -13.598 1.00 0.00 N ATOM 304 CA CYS 1 24 2.913 12.602 -12.554 1.00 0.00 C ATOM 305 C CYS 1 24 1.491 12.112 -12.778 1.00 0.00 C ATOM 306 O CYS 1 24 0.534 12.672 -12.243 1.00 0.00 O ATOM 307 CB CYS 1 24 3.036 13.269 -11.186 1.00 0.00 C ATOM 308 SG CYS 1 24 2.699 12.162 -9.775 1.00 0.00 S ATOM 0 H CYS 1 24 3.561 14.458 -13.260 1.00 0.00 H new ATOM 0 HA CYS 1 24 3.577 11.738 -12.588 1.00 0.00 H new ATOM 0 HB2 CYS 1 24 4.043 13.674 -11.082 1.00 0.00 H new ATOM 0 HB3 CYS 1 24 2.347 14.112 -11.143 1.00 0.00 H new ATOM 313 N GLN 1 25 1.364 11.062 -13.577 1.00 0.00 N ATOM 314 CA GLN 1 25 0.061 10.481 -13.886 1.00 0.00 C ATOM 315 C GLN 1 25 -0.416 9.557 -12.763 1.00 0.00 C ATOM 316 O GLN 1 25 -0.889 8.449 -13.015 1.00 0.00 O ATOM 317 CB GLN 1 25 0.126 9.715 -15.210 1.00 0.00 C ATOM 318 CG GLN 1 25 -0.458 10.485 -16.383 1.00 0.00 C ATOM 319 CD GLN 1 25 -0.363 9.720 -17.688 1.00 0.00 C ATOM 320 OE1 GLN 1 25 0.148 10.230 -18.685 1.00 0.00 O ATOM 321 NE2 GLN 1 25 -0.857 8.487 -17.689 1.00 0.00 N ATOM 0 H GLN 1 25 2.150 10.592 -14.026 1.00 0.00 H new ATOM 0 HA GLN 1 25 -0.658 11.295 -13.979 1.00 0.00 H new ATOM 0 HB2 GLN 1 25 1.165 9.469 -15.428 1.00 0.00 H new ATOM 0 HB3 GLN 1 25 -0.409 8.772 -15.102 1.00 0.00 H new ATOM 0 HG2 GLN 1 25 -1.503 10.716 -16.177 1.00 0.00 H new ATOM 0 HG3 GLN 1 25 0.065 11.436 -16.485 1.00 0.00 H new ATOM 0 HE21 GLN 1 25 -1.272 8.103 -16.840 1.00 0.00 H new ATOM 0 HE22 GLN 1 25 -0.821 7.924 -18.539 1.00 0.00 H new ATOM 330 N ASP 1 26 -0.302 10.028 -11.526 1.00 0.00 N ATOM 331 CA ASP 1 26 -0.731 9.259 -10.367 1.00 0.00 C ATOM 332 C ASP 1 26 -1.441 10.170 -9.375 1.00 0.00 C ATOM 333 O ASP 1 26 -0.805 10.843 -8.565 1.00 0.00 O ATOM 334 CB ASP 1 26 0.467 8.582 -9.701 1.00 0.00 C ATOM 335 CG ASP 1 26 1.268 7.737 -10.671 1.00 0.00 C ATOM 336 OD1 ASP 1 26 1.763 8.293 -11.674 1.00 0.00 O ATOM 337 OD2 ASP 1 26 1.401 6.519 -10.428 1.00 0.00 O ATOM 0 H ASP 1 26 0.086 10.944 -11.301 1.00 0.00 H new ATOM 0 HA ASP 1 26 -1.424 8.485 -10.696 1.00 0.00 H new ATOM 0 HB2 ASP 1 26 1.115 9.343 -9.266 1.00 0.00 H new ATOM 0 HB3 ASP 1 26 0.117 7.955 -8.881 1.00 0.00 H new ATOM 342 N ARG 1 27 -2.764 10.198 -9.458 1.00 0.00 N ATOM 343 CA ARG 1 27 -3.571 11.040 -8.585 1.00 0.00 C ATOM 344 C ARG 1 27 -3.389 10.669 -7.116 1.00 0.00 C ATOM 345 O ARG 1 27 -3.589 11.502 -6.231 1.00 0.00 O ATOM 346 CB ARG 1 27 -5.042 10.932 -8.977 1.00 0.00 C ATOM 347 CG ARG 1 27 -5.961 11.816 -8.149 1.00 0.00 C ATOM 348 CD ARG 1 27 -7.120 12.346 -8.978 1.00 0.00 C ATOM 349 NE ARG 1 27 -7.764 11.290 -9.756 1.00 0.00 N ATOM 350 CZ ARG 1 27 -8.567 11.519 -10.793 1.00 0.00 C ATOM 351 NH1 ARG 1 27 -8.828 12.762 -11.178 1.00 0.00 N ATOM 352 NH2 ARG 1 27 -9.111 10.501 -11.446 1.00 0.00 N ATOM 0 H ARG 1 27 -3.303 9.645 -10.124 1.00 0.00 H new ATOM 0 HA ARG 1 27 -3.235 12.070 -8.708 1.00 0.00 H new ATOM 0 HB2 ARG 1 27 -5.149 11.196 -10.029 1.00 0.00 H new ATOM 0 HB3 ARG 1 27 -5.361 9.895 -8.875 1.00 0.00 H new ATOM 0 HG2 ARG 1 27 -6.347 11.249 -7.302 1.00 0.00 H new ATOM 0 HG3 ARG 1 27 -5.393 12.651 -7.740 1.00 0.00 H new ATOM 0 HD2 ARG 1 27 -7.854 12.810 -8.320 1.00 0.00 H new ATOM 0 HD3 ARG 1 27 -6.759 13.123 -9.651 1.00 0.00 H new ATOM 0 HE ARG 1 27 -7.588 10.321 -9.489 1.00 0.00 H new ATOM 0 HH11 ARG 1 27 -8.413 13.548 -10.679 1.00 0.00 H new ATOM 0 HH12 ARG 1 27 -9.444 12.931 -11.973 1.00 0.00 H new ATOM 0 HH21 ARG 1 27 -8.914 9.544 -11.154 1.00 0.00 H new ATOM 0 HH22 ARG 1 27 -9.726 10.675 -12.241 1.00 0.00 H new ATOM 366 N CYS 1 28 -3.013 9.421 -6.855 1.00 0.00 N ATOM 367 CA CYS 1 28 -2.813 8.962 -5.484 1.00 0.00 C ATOM 368 C CYS 1 28 -1.326 8.838 -5.147 1.00 0.00 C ATOM 369 O CYS 1 28 -0.961 8.234 -4.138 1.00 0.00 O ATOM 370 CB CYS 1 28 -3.522 7.623 -5.261 1.00 0.00 C ATOM 371 SG CYS 1 28 -5.171 7.780 -4.498 1.00 0.00 S ATOM 0 H CYS 1 28 -2.841 8.713 -7.569 1.00 0.00 H new ATOM 0 HA CYS 1 28 -3.246 9.708 -4.817 1.00 0.00 H new ATOM 0 HB2 CYS 1 28 -3.622 7.112 -6.219 1.00 0.00 H new ATOM 0 HB3 CYS 1 28 -2.897 6.993 -4.627 1.00 0.00 H new ATOM 376 N CYS 1 29 -0.472 9.418 -5.990 1.00 0.00 N ATOM 377 CA CYS 1 29 0.972 9.373 -5.771 1.00 0.00 C ATOM 378 C CYS 1 29 1.648 10.623 -6.326 1.00 0.00 C ATOM 379 O CYS 1 29 1.378 11.035 -7.453 1.00 0.00 O ATOM 380 CB CYS 1 29 1.571 8.135 -6.434 1.00 0.00 C ATOM 381 SG CYS 1 29 0.754 6.573 -5.982 1.00 0.00 S ATOM 0 H CYS 1 29 -0.755 9.924 -6.829 1.00 0.00 H new ATOM 0 HA CYS 1 29 1.145 9.328 -4.696 1.00 0.00 H new ATOM 0 HB2 CYS 1 29 1.522 8.257 -7.516 1.00 0.00 H new ATOM 0 HB3 CYS 1 29 2.626 8.070 -6.168 1.00 0.00 H new ATOM 386 N ASN 1 30 2.529 11.225 -5.532 1.00 0.00 N ATOM 387 CA ASN 1 30 3.239 12.429 -5.958 1.00 0.00 C ATOM 388 C ASN 1 30 4.733 12.160 -6.139 1.00 0.00 C ATOM 389 O ASN 1 30 5.370 11.526 -5.293 1.00 0.00 O ATOM 390 CB ASN 1 30 3.023 13.559 -4.945 1.00 0.00 C ATOM 391 CG ASN 1 30 3.877 14.779 -5.234 1.00 0.00 C ATOM 392 OD1 ASN 1 30 4.517 15.311 -4.200 1.00 0.00 O flip ATOM 393 ND2 ASN 1 30 3.961 15.237 -6.373 1.00 0.00 N flip ATOM 0 H ASN 1 30 2.768 10.902 -4.595 1.00 0.00 H new ATOM 0 HA ASN 1 30 2.833 12.733 -6.923 1.00 0.00 H new ATOM 0 HB2 ASN 1 30 1.972 13.848 -4.948 1.00 0.00 H new ATOM 0 HB3 ASN 1 30 3.249 13.192 -3.944 1.00 0.00 H new ATOM 0 HD21 ASN 1 30 3.452 14.796 -7.139 1.00 0.00 H new ATOM 0 HD22 ASN 1 30 4.540 16.058 -6.551 1.00 0.00 H new ATOM 400 N ALA 1 31 5.284 12.657 -7.249 1.00 0.00 N ATOM 401 CA ALA 1 31 6.702 12.487 -7.550 1.00 0.00 C ATOM 402 C ALA 1 31 7.555 13.415 -6.694 1.00 0.00 C ATOM 403 O ALA 1 31 8.621 13.032 -6.212 1.00 0.00 O ATOM 404 CB ALA 1 31 6.962 12.754 -9.024 1.00 0.00 C ATOM 0 H ALA 1 31 4.766 13.181 -7.954 1.00 0.00 H new ATOM 0 HA ALA 1 31 6.977 11.458 -7.320 1.00 0.00 H new ATOM 0 HB1 ALA 1 31 8.023 12.624 -9.236 1.00 0.00 H new ATOM 0 HB2 ALA 1 31 6.383 12.055 -9.628 1.00 0.00 H new ATOM 0 HB3 ALA 1 31 6.666 13.775 -9.267 1.00 0.00 H new ATOM 410 N ALA 1 32 7.074 14.641 -6.512 1.00 0.00 N ATOM 411 CA ALA 1 32 7.786 15.634 -5.715 1.00 0.00 C ATOM 412 C ALA 1 32 8.038 15.132 -4.296 1.00 0.00 C ATOM 413 O ALA 1 32 8.877 15.674 -3.577 1.00 0.00 O ATOM 414 CB ALA 1 32 7.002 16.938 -5.684 1.00 0.00 C ATOM 0 H ALA 1 32 6.193 14.971 -6.906 1.00 0.00 H new ATOM 0 HA ALA 1 32 8.755 15.811 -6.182 1.00 0.00 H new ATOM 0 HB1 ALA 1 32 7.542 17.673 -5.087 1.00 0.00 H new ATOM 0 HB2 ALA 1 32 6.881 17.314 -6.700 1.00 0.00 H new ATOM 0 HB3 ALA 1 32 6.021 16.762 -5.243 1.00 0.00 H new ATOM 420 N THR 1 33 7.308 14.095 -3.898 1.00 0.00 N ATOM 421 CA THR 1 33 7.452 13.523 -2.569 1.00 0.00 C ATOM 422 C THR 1 33 7.879 12.066 -2.654 1.00 0.00 C ATOM 423 O THR 1 33 8.420 11.510 -1.698 1.00 0.00 O ATOM 424 CB THR 1 33 6.127 13.613 -1.809 1.00 0.00 C ATOM 425 OG1 THR 1 33 6.310 13.295 -0.441 1.00 0.00 O ATOM 426 CG2 THR 1 33 5.058 12.685 -2.359 1.00 0.00 C ATOM 0 H THR 1 33 6.609 13.634 -4.481 1.00 0.00 H new ATOM 0 HA THR 1 33 8.218 14.089 -2.039 1.00 0.00 H new ATOM 0 HB THR 1 33 5.792 14.643 -1.932 1.00 0.00 H new ATOM 0 HG1 THR 1 33 5.656 13.786 0.099 1.00 0.00 H new ATOM 0 HG21 THR 1 33 4.144 12.797 -1.776 1.00 0.00 H new ATOM 0 HG22 THR 1 33 4.858 12.937 -3.400 1.00 0.00 H new ATOM 0 HG23 THR 1 33 5.404 11.653 -2.296 1.00 0.00 H new ATOM 434 N CYS 1 34 7.597 11.440 -3.792 1.00 0.00 N ATOM 435 CA CYS 1 34 7.917 10.040 -3.976 1.00 0.00 C ATOM 436 C CYS 1 34 7.180 9.232 -2.919 1.00 0.00 C ATOM 437 O CYS 1 34 7.752 8.366 -2.260 1.00 0.00 O ATOM 438 CB CYS 1 34 9.429 9.809 -3.884 1.00 0.00 C ATOM 439 SG CYS 1 34 10.281 9.809 -5.498 1.00 0.00 S ATOM 0 H CYS 1 34 7.149 11.883 -4.594 1.00 0.00 H new ATOM 0 HA CYS 1 34 7.601 9.719 -4.969 1.00 0.00 H new ATOM 0 HB2 CYS 1 34 9.867 10.583 -3.254 1.00 0.00 H new ATOM 0 HB3 CYS 1 34 9.611 8.855 -3.389 1.00 0.00 H new ATOM 444 N LYS 1 35 5.899 9.551 -2.753 1.00 0.00 N ATOM 445 CA LYS 1 35 5.063 8.883 -1.765 1.00 0.00 C ATOM 446 C LYS 1 35 3.586 9.207 -1.988 1.00 0.00 C ATOM 447 O LYS 1 35 3.240 10.036 -2.830 1.00 0.00 O ATOM 448 CB LYS 1 35 5.503 9.287 -0.348 1.00 0.00 C ATOM 449 CG LYS 1 35 4.614 10.330 0.319 1.00 0.00 C ATOM 450 CD LYS 1 35 5.368 11.101 1.390 1.00 0.00 C ATOM 451 CE LYS 1 35 5.188 10.469 2.761 1.00 0.00 C ATOM 452 NZ LYS 1 35 5.700 11.348 3.849 1.00 0.00 N ATOM 0 H LYS 1 35 5.418 10.271 -3.293 1.00 0.00 H new ATOM 0 HA LYS 1 35 5.186 7.806 -1.877 1.00 0.00 H new ATOM 0 HB2 LYS 1 35 5.528 8.395 0.279 1.00 0.00 H new ATOM 0 HB3 LYS 1 35 6.521 9.673 -0.394 1.00 0.00 H new ATOM 0 HG2 LYS 1 35 4.238 11.023 -0.433 1.00 0.00 H new ATOM 0 HG3 LYS 1 35 3.747 9.841 0.763 1.00 0.00 H new ATOM 0 HD2 LYS 1 35 6.428 11.133 1.139 1.00 0.00 H new ATOM 0 HD3 LYS 1 35 5.015 12.132 1.414 1.00 0.00 H new ATOM 0 HE2 LYS 1 35 4.131 10.261 2.929 1.00 0.00 H new ATOM 0 HE3 LYS 1 35 5.710 9.512 2.791 1.00 0.00 H new ATOM 0 HZ1 LYS 1 35 5.559 10.881 4.768 1.00 0.00 H new ATOM 0 HZ2 LYS 1 35 6.714 11.526 3.703 1.00 0.00 H new ATOM 0 HZ3 LYS 1 35 5.185 12.251 3.837 1.00 0.00 H new ATOM 466 N LEU 1 36 2.724 8.540 -1.228 1.00 0.00 N ATOM 467 CA LEU 1 36 1.280 8.736 -1.332 1.00 0.00 C ATOM 468 C LEU 1 36 0.911 10.218 -1.299 1.00 0.00 C ATOM 469 O LEU 1 36 1.544 11.012 -0.603 1.00 0.00 O ATOM 470 CB LEU 1 36 0.566 8.005 -0.193 1.00 0.00 C ATOM 471 CG LEU 1 36 0.392 6.497 -0.390 1.00 0.00 C ATOM 472 CD1 LEU 1 36 0.253 5.797 0.952 1.00 0.00 C ATOM 473 CD2 LEU 1 36 -0.816 6.211 -1.269 1.00 0.00 C ATOM 0 H LEU 1 36 3.002 7.853 -0.527 1.00 0.00 H new ATOM 0 HA LEU 1 36 0.959 8.326 -2.290 1.00 0.00 H new ATOM 0 HB2 LEU 1 36 1.123 8.172 0.729 1.00 0.00 H new ATOM 0 HB3 LEU 1 36 -0.418 8.453 -0.057 1.00 0.00 H new ATOM 0 HG LEU 1 36 1.280 6.110 -0.889 1.00 0.00 H new ATOM 0 HD11 LEU 1 36 0.130 4.726 0.793 1.00 0.00 H new ATOM 0 HD12 LEU 1 36 1.147 5.975 1.549 1.00 0.00 H new ATOM 0 HD13 LEU 1 36 -0.618 6.188 1.478 1.00 0.00 H new ATOM 0 HD21 LEU 1 36 -0.925 5.134 -1.399 1.00 0.00 H new ATOM 0 HD22 LEU 1 36 -1.713 6.612 -0.797 1.00 0.00 H new ATOM 0 HD23 LEU 1 36 -0.677 6.681 -2.242 1.00 0.00 H new ATOM 485 N THR 1 37 -0.125 10.578 -2.051 1.00 0.00 N ATOM 486 CA THR 1 37 -0.593 11.959 -2.106 1.00 0.00 C ATOM 487 C THR 1 37 -1.701 12.189 -1.083 1.00 0.00 C ATOM 488 O THR 1 37 -2.280 11.235 -0.563 1.00 0.00 O ATOM 489 CB THR 1 37 -1.111 12.287 -3.507 1.00 0.00 C ATOM 490 OG1 THR 1 37 -1.934 11.243 -3.993 1.00 0.00 O ATOM 491 CG2 THR 1 37 -0.011 12.511 -4.519 1.00 0.00 C ATOM 0 H THR 1 37 -0.658 9.931 -2.632 1.00 0.00 H new ATOM 0 HA THR 1 37 0.246 12.614 -1.872 1.00 0.00 H new ATOM 0 HB THR 1 37 -1.671 13.215 -3.395 1.00 0.00 H new ATOM 0 HG1 THR 1 37 -2.359 10.783 -3.239 1.00 0.00 H new ATOM 0 HG21 THR 1 37 -0.451 12.739 -5.490 1.00 0.00 H new ATOM 0 HG22 THR 1 37 0.614 13.345 -4.199 1.00 0.00 H new ATOM 0 HG23 THR 1 37 0.598 11.611 -4.599 1.00 0.00 H new ATOM 499 N PRO 1 38 -2.020 13.460 -0.780 1.00 0.00 N ATOM 500 CA PRO 1 38 -3.072 13.795 0.183 1.00 0.00 C ATOM 501 C PRO 1 38 -4.371 13.052 -0.113 1.00 0.00 C ATOM 502 O PRO 1 38 -4.986 13.250 -1.161 1.00 0.00 O ATOM 503 CB PRO 1 38 -3.257 15.301 -0.004 1.00 0.00 C ATOM 504 CG PRO 1 38 -1.942 15.782 -0.510 1.00 0.00 C ATOM 505 CD PRO 1 38 -1.388 14.665 -1.353 1.00 0.00 C ATOM 0 HA PRO 1 38 -2.806 13.513 1.202 1.00 0.00 H new ATOM 0 HB2 PRO 1 38 -4.057 15.517 -0.712 1.00 0.00 H new ATOM 0 HB3 PRO 1 38 -3.522 15.787 0.935 1.00 0.00 H new ATOM 0 HG2 PRO 1 38 -2.059 16.693 -1.097 1.00 0.00 H new ATOM 0 HG3 PRO 1 38 -1.270 16.019 0.315 1.00 0.00 H new ATOM 0 HD2 PRO 1 38 -1.643 14.791 -2.405 1.00 0.00 H new ATOM 0 HD3 PRO 1 38 -0.301 14.616 -1.292 1.00 0.00 H new ATOM 513 N GLY 1 39 -4.776 12.190 0.812 1.00 0.00 N ATOM 514 CA GLY 1 39 -5.992 11.421 0.627 1.00 0.00 C ATOM 515 C GLY 1 39 -5.705 9.956 0.369 1.00 0.00 C ATOM 516 O GLY 1 39 -6.488 9.085 0.748 1.00 0.00 O ATOM 0 H GLY 1 39 -4.284 12.010 1.687 1.00 0.00 H new ATOM 0 HA2 GLY 1 39 -6.619 11.517 1.513 1.00 0.00 H new ATOM 0 HA3 GLY 1 39 -6.557 11.832 -0.210 1.00 0.00 H new ATOM 520 N SER 1 40 -4.572 9.685 -0.272 1.00 0.00 N ATOM 521 CA SER 1 40 -4.172 8.316 -0.578 1.00 0.00 C ATOM 522 C SER 1 40 -3.425 7.702 0.601 1.00 0.00 C ATOM 523 O SER 1 40 -2.340 8.155 0.964 1.00 0.00 O ATOM 524 CB SER 1 40 -3.292 8.287 -1.828 1.00 0.00 C ATOM 525 OG SER 1 40 -3.503 9.438 -2.628 1.00 0.00 O ATOM 0 H SER 1 40 -3.914 10.397 -0.590 1.00 0.00 H new ATOM 0 HA SER 1 40 -5.071 7.729 -0.766 1.00 0.00 H new ATOM 0 HB2 SER 1 40 -2.243 8.230 -1.537 1.00 0.00 H new ATOM 0 HB3 SER 1 40 -3.510 7.391 -2.409 1.00 0.00 H new ATOM 0 HG SER 1 40 -4.254 9.280 -3.238 1.00 0.00 H new ATOM 531 N GLN 1 41 -4.017 6.677 1.204 1.00 0.00 N ATOM 532 CA GLN 1 41 -3.409 6.013 2.351 1.00 0.00 C ATOM 533 C GLN 1 41 -3.007 4.574 2.031 1.00 0.00 C ATOM 534 O GLN 1 41 -2.771 3.781 2.941 1.00 0.00 O ATOM 535 CB GLN 1 41 -4.372 6.031 3.540 1.00 0.00 C ATOM 536 CG GLN 1 41 -4.154 7.205 4.481 1.00 0.00 C ATOM 537 CD GLN 1 41 -4.500 6.872 5.919 1.00 0.00 C ATOM 538 OE1 GLN 1 41 -3.690 6.299 6.647 1.00 0.00 O ATOM 539 NE2 GLN 1 41 -5.709 7.230 6.335 1.00 0.00 N ATOM 0 H GLN 1 41 -4.916 6.288 0.918 1.00 0.00 H new ATOM 0 HA GLN 1 41 -2.502 6.562 2.605 1.00 0.00 H new ATOM 0 HB2 GLN 1 41 -5.396 6.060 3.167 1.00 0.00 H new ATOM 0 HB3 GLN 1 41 -4.263 5.102 4.100 1.00 0.00 H new ATOM 0 HG2 GLN 1 41 -3.112 7.521 4.426 1.00 0.00 H new ATOM 0 HG3 GLN 1 41 -4.761 8.048 4.151 1.00 0.00 H new ATOM 0 HE21 GLN 1 41 -6.348 7.703 5.697 1.00 0.00 H new ATOM 0 HE22 GLN 1 41 -5.998 7.032 7.293 1.00 0.00 H new ATOM 548 N CYS 1 42 -2.933 4.230 0.747 1.00 0.00 N ATOM 549 CA CYS 1 42 -2.559 2.874 0.356 1.00 0.00 C ATOM 550 C CYS 1 42 -2.051 2.807 -1.084 1.00 0.00 C ATOM 551 O CYS 1 42 -0.950 2.317 -1.336 1.00 0.00 O ATOM 552 CB CYS 1 42 -3.741 1.919 0.560 1.00 0.00 C ATOM 553 SG CYS 1 42 -5.133 2.159 -0.592 1.00 0.00 S ATOM 0 H CYS 1 42 -3.124 4.862 -0.030 1.00 0.00 H new ATOM 0 HA CYS 1 42 -1.735 2.563 0.998 1.00 0.00 H new ATOM 0 HB2 CYS 1 42 -3.382 0.894 0.464 1.00 0.00 H new ATOM 0 HB3 CYS 1 42 -4.109 2.033 1.580 1.00 0.00 H new ATOM 558 N ASN 1 43 -2.857 3.286 -2.025 1.00 0.00 N ATOM 559 CA ASN 1 43 -2.502 3.271 -3.445 1.00 0.00 C ATOM 560 C ASN 1 43 -2.404 1.841 -3.990 1.00 0.00 C ATOM 561 O ASN 1 43 -2.558 1.618 -5.190 1.00 0.00 O ATOM 562 CB ASN 1 43 -1.186 4.017 -3.675 1.00 0.00 C ATOM 563 CG ASN 1 43 -0.723 3.944 -5.118 1.00 0.00 C ATOM 564 OD1 ASN 1 43 0.558 3.655 -5.315 1.00 0.00 O flip ATOM 565 ND2 ASN 1 43 -1.508 4.145 -6.044 1.00 0.00 N flip ATOM 0 H ASN 1 43 -3.771 3.694 -1.830 1.00 0.00 H new ATOM 0 HA ASN 1 43 -3.299 3.779 -3.988 1.00 0.00 H new ATOM 0 HB2 ASN 1 43 -1.309 5.061 -3.388 1.00 0.00 H new ATOM 0 HB3 ASN 1 43 -0.416 3.597 -3.028 1.00 0.00 H new ATOM 0 HD21 ASN 1 43 -2.484 4.364 -5.846 1.00 0.00 H new ATOM 0 HD22 ASN 1 43 -1.182 4.092 -7.009 1.00 0.00 H new ATOM 572 N TYR 1 44 -2.153 0.880 -3.103 1.00 0.00 N ATOM 573 CA TYR 1 44 -2.038 -0.524 -3.487 1.00 0.00 C ATOM 574 C TYR 1 44 -1.726 -1.385 -2.265 1.00 0.00 C ATOM 575 O TYR 1 44 -1.296 -0.873 -1.231 1.00 0.00 O ATOM 576 CB TYR 1 44 -0.945 -0.704 -4.548 1.00 0.00 C ATOM 577 CG TYR 1 44 0.463 -0.634 -3.995 1.00 0.00 C ATOM 578 CD1 TYR 1 44 1.034 -1.731 -3.363 1.00 0.00 C ATOM 579 CD2 TYR 1 44 1.216 0.528 -4.103 1.00 0.00 C ATOM 580 CE1 TYR 1 44 2.317 -1.672 -2.854 1.00 0.00 C ATOM 581 CE2 TYR 1 44 2.500 0.595 -3.596 1.00 0.00 C ATOM 582 CZ TYR 1 44 3.046 -0.508 -2.973 1.00 0.00 C ATOM 583 OH TYR 1 44 4.324 -0.445 -2.467 1.00 0.00 O ATOM 0 H TYR 1 44 -2.025 1.051 -2.106 1.00 0.00 H new ATOM 0 HA TYR 1 44 -2.991 -0.843 -3.909 1.00 0.00 H new ATOM 0 HB2 TYR 1 44 -1.084 -1.667 -5.040 1.00 0.00 H new ATOM 0 HB3 TYR 1 44 -1.064 0.064 -5.312 1.00 0.00 H new ATOM 0 HD1 TYR 1 44 0.466 -2.645 -3.268 1.00 0.00 H new ATOM 0 HD2 TYR 1 44 0.791 1.393 -4.591 1.00 0.00 H new ATOM 0 HE1 TYR 1 44 2.747 -2.534 -2.365 1.00 0.00 H new ATOM 0 HE2 TYR 1 44 3.073 1.506 -3.687 1.00 0.00 H new ATOM 0 HH TYR 1 44 4.699 0.445 -2.634 1.00 0.00 H new ATOM 593 N GLY 1 45 -1.936 -2.692 -2.387 1.00 0.00 N ATOM 594 CA GLY 1 45 -1.660 -3.591 -1.280 1.00 0.00 C ATOM 595 C GLY 1 45 -2.912 -4.238 -0.719 1.00 0.00 C ATOM 596 O GLY 1 45 -4.029 -3.835 -1.043 1.00 0.00 O ATOM 0 H GLY 1 45 -2.291 -3.144 -3.230 1.00 0.00 H new ATOM 0 HA2 GLY 1 45 -0.973 -4.369 -1.613 1.00 0.00 H new ATOM 0 HA3 GLY 1 45 -1.156 -3.039 -0.487 1.00 0.00 H new ATOM 600 N GLU 1 46 -2.720 -5.246 0.128 1.00 0.00 N ATOM 601 CA GLU 1 46 -3.836 -5.958 0.742 1.00 0.00 C ATOM 602 C GLU 1 46 -4.696 -5.015 1.573 1.00 0.00 C ATOM 603 O GLU 1 46 -5.924 -5.034 1.487 1.00 0.00 O ATOM 604 CB GLU 1 46 -3.309 -7.083 1.631 1.00 0.00 C ATOM 605 CG GLU 1 46 -2.839 -8.304 0.856 1.00 0.00 C ATOM 606 CD GLU 1 46 -1.328 -8.407 0.790 1.00 0.00 C ATOM 607 OE1 GLU 1 46 -0.661 -7.351 0.782 1.00 0.00 O ATOM 608 OE2 GLU 1 46 -0.812 -9.544 0.748 1.00 0.00 O ATOM 0 H GLU 1 46 -1.800 -5.588 0.405 1.00 0.00 H new ATOM 0 HA GLU 1 46 -4.451 -6.376 -0.055 1.00 0.00 H new ATOM 0 HB2 GLU 1 46 -2.482 -6.703 2.231 1.00 0.00 H new ATOM 0 HB3 GLU 1 46 -4.094 -7.384 2.325 1.00 0.00 H new ATOM 0 HG2 GLU 1 46 -3.241 -9.203 1.323 1.00 0.00 H new ATOM 0 HG3 GLU 1 46 -3.241 -8.264 -0.156 1.00 0.00 H new ATOM 615 N CYS 1 47 -4.038 -4.192 2.378 1.00 0.00 N ATOM 616 CA CYS 1 47 -4.728 -3.236 3.234 1.00 0.00 C ATOM 617 C CYS 1 47 -5.343 -2.107 2.410 1.00 0.00 C ATOM 618 O CYS 1 47 -6.220 -1.391 2.886 1.00 0.00 O ATOM 619 CB CYS 1 47 -3.749 -2.658 4.256 1.00 0.00 C ATOM 620 SG CYS 1 47 -3.867 -3.396 5.914 1.00 0.00 S ATOM 0 H CYS 1 47 -3.021 -4.167 2.456 1.00 0.00 H new ATOM 0 HA CYS 1 47 -5.532 -3.758 3.753 1.00 0.00 H new ATOM 0 HB2 CYS 1 47 -2.733 -2.792 3.884 1.00 0.00 H new ATOM 0 HB3 CYS 1 47 -3.920 -1.584 4.337 1.00 0.00 H new ATOM 625 N CYS 1 48 -4.869 -1.938 1.180 1.00 0.00 N ATOM 626 CA CYS 1 48 -5.367 -0.881 0.317 1.00 0.00 C ATOM 627 C CYS 1 48 -6.816 -1.110 -0.098 1.00 0.00 C ATOM 628 O CYS 1 48 -7.213 -2.221 -0.450 1.00 0.00 O ATOM 629 CB CYS 1 48 -4.499 -0.769 -0.935 1.00 0.00 C ATOM 630 SG CYS 1 48 -4.884 0.683 -1.960 1.00 0.00 S ATOM 0 H CYS 1 48 -4.143 -2.519 0.762 1.00 0.00 H new ATOM 0 HA CYS 1 48 -5.322 0.045 0.890 1.00 0.00 H new ATOM 0 HB2 CYS 1 48 -3.451 -0.726 -0.638 1.00 0.00 H new ATOM 0 HB3 CYS 1 48 -4.623 -1.670 -1.535 1.00 0.00 H new ATOM 635 N ASP 1 49 -7.593 -0.031 -0.061 1.00 0.00 N ATOM 636 CA ASP 1 49 -8.999 -0.065 -0.438 1.00 0.00 C ATOM 637 C ASP 1 49 -9.484 1.346 -0.760 1.00 0.00 C ATOM 638 O ASP 1 49 -9.692 2.160 0.139 1.00 0.00 O ATOM 639 CB ASP 1 49 -9.842 -0.667 0.688 1.00 0.00 C ATOM 640 CG ASP 1 49 -11.108 -1.324 0.175 1.00 0.00 C ATOM 641 OD1 ASP 1 49 -11.141 -1.699 -1.016 1.00 0.00 O ATOM 642 OD2 ASP 1 49 -12.066 -1.464 0.964 1.00 0.00 O ATOM 0 H ASP 1 49 -7.264 0.889 0.231 1.00 0.00 H new ATOM 0 HA ASP 1 49 -9.108 -0.691 -1.323 1.00 0.00 H new ATOM 0 HB2 ASP 1 49 -9.248 -1.403 1.229 1.00 0.00 H new ATOM 0 HB3 ASP 1 49 -10.105 0.116 1.400 1.00 0.00 H new ATOM 647 N GLN 1 50 -9.646 1.634 -2.048 1.00 0.00 N ATOM 648 CA GLN 1 50 -10.090 2.955 -2.485 1.00 0.00 C ATOM 649 C GLN 1 50 -9.061 4.017 -2.106 1.00 0.00 C ATOM 650 O GLN 1 50 -9.413 5.108 -1.658 1.00 0.00 O ATOM 651 CB GLN 1 50 -11.448 3.294 -1.864 1.00 0.00 C ATOM 652 CG GLN 1 50 -12.274 4.258 -2.699 1.00 0.00 C ATOM 653 CD GLN 1 50 -13.572 4.652 -2.020 1.00 0.00 C ATOM 654 OE1 GLN 1 50 -14.324 3.798 -1.550 1.00 0.00 O ATOM 655 NE2 GLN 1 50 -13.841 5.951 -1.966 1.00 0.00 N ATOM 0 H GLN 1 50 -9.477 0.973 -2.806 1.00 0.00 H new ATOM 0 HA GLN 1 50 -10.194 2.941 -3.570 1.00 0.00 H new ATOM 0 HB2 GLN 1 50 -12.013 2.373 -1.722 1.00 0.00 H new ATOM 0 HB3 GLN 1 50 -11.289 3.726 -0.876 1.00 0.00 H new ATOM 0 HG2 GLN 1 50 -11.687 5.154 -2.900 1.00 0.00 H new ATOM 0 HG3 GLN 1 50 -12.497 3.800 -3.663 1.00 0.00 H new ATOM 0 HE21 GLN 1 50 -13.189 6.624 -2.369 1.00 0.00 H new ATOM 0 HE22 GLN 1 50 -14.700 6.276 -1.522 1.00 0.00 H new ATOM 664 N CYS 1 51 -7.787 3.681 -2.284 1.00 0.00 N ATOM 665 CA CYS 1 51 -6.695 4.592 -1.957 1.00 0.00 C ATOM 666 C CYS 1 51 -6.680 4.913 -0.463 1.00 0.00 C ATOM 667 O CYS 1 51 -6.164 5.949 -0.046 1.00 0.00 O ATOM 668 CB CYS 1 51 -6.800 5.882 -2.775 1.00 0.00 C ATOM 669 SG CYS 1 51 -5.821 5.865 -4.314 1.00 0.00 S ATOM 0 H CYS 1 51 -7.484 2.780 -2.655 1.00 0.00 H new ATOM 0 HA CYS 1 51 -5.759 4.095 -2.211 1.00 0.00 H new ATOM 0 HB2 CYS 1 51 -7.846 6.058 -3.024 1.00 0.00 H new ATOM 0 HB3 CYS 1 51 -6.474 6.719 -2.158 1.00 0.00 H new ATOM 674 N ARG 1 52 -7.241 4.009 0.338 1.00 0.00 N ATOM 675 CA ARG 1 52 -7.284 4.182 1.786 1.00 0.00 C ATOM 676 C ARG 1 52 -7.151 2.831 2.484 1.00 0.00 C ATOM 677 O ARG 1 52 -7.865 1.884 2.153 1.00 0.00 O ATOM 678 CB ARG 1 52 -8.589 4.862 2.204 1.00 0.00 C ATOM 679 CG ARG 1 52 -8.723 6.287 1.693 1.00 0.00 C ATOM 680 CD ARG 1 52 -7.856 7.249 2.489 1.00 0.00 C ATOM 681 NE ARG 1 52 -8.000 7.053 3.929 1.00 0.00 N ATOM 682 CZ ARG 1 52 -9.024 7.518 4.642 1.00 0.00 C ATOM 683 NH1 ARG 1 52 -9.994 8.206 4.052 1.00 0.00 N ATOM 684 NH2 ARG 1 52 -9.078 7.295 5.947 1.00 0.00 N ATOM 0 H ARG 1 52 -7.673 3.147 0.006 1.00 0.00 H new ATOM 0 HA ARG 1 52 -6.449 4.816 2.083 1.00 0.00 H new ATOM 0 HB2 ARG 1 52 -9.430 4.273 1.837 1.00 0.00 H new ATOM 0 HB3 ARG 1 52 -8.654 4.867 3.292 1.00 0.00 H new ATOM 0 HG2 ARG 1 52 -8.439 6.325 0.641 1.00 0.00 H new ATOM 0 HG3 ARG 1 52 -9.765 6.600 1.754 1.00 0.00 H new ATOM 0 HD2 ARG 1 52 -6.812 7.113 2.207 1.00 0.00 H new ATOM 0 HD3 ARG 1 52 -8.124 8.274 2.234 1.00 0.00 H new ATOM 0 HE ARG 1 52 -7.274 6.529 4.417 1.00 0.00 H new ATOM 0 HH11 ARG 1 52 -9.957 8.381 3.048 1.00 0.00 H new ATOM 0 HH12 ARG 1 52 -10.776 8.560 4.603 1.00 0.00 H new ATOM 0 HH21 ARG 1 52 -8.335 6.767 6.405 1.00 0.00 H new ATOM 0 HH22 ARG 1 52 -9.862 7.651 6.493 1.00 0.00 H new ATOM 698 N PHE 1 53 -6.230 2.738 3.443 1.00 0.00 N ATOM 699 CA PHE 1 53 -6.015 1.487 4.166 1.00 0.00 C ATOM 700 C PHE 1 53 -7.311 0.962 4.753 1.00 0.00 C ATOM 701 O PHE 1 53 -8.184 1.732 5.154 1.00 0.00 O ATOM 702 CB PHE 1 53 -4.981 1.659 5.284 1.00 0.00 C ATOM 703 CG PHE 1 53 -3.571 1.775 4.785 1.00 0.00 C ATOM 704 CD1 PHE 1 53 -3.171 1.100 3.645 1.00 0.00 C ATOM 705 CD2 PHE 1 53 -2.647 2.559 5.455 1.00 0.00 C ATOM 706 CE1 PHE 1 53 -1.880 1.202 3.180 1.00 0.00 C ATOM 707 CE2 PHE 1 53 -1.348 2.666 4.995 1.00 0.00 C ATOM 708 CZ PHE 1 53 -0.964 1.987 3.854 1.00 0.00 C ATOM 0 H PHE 1 53 -5.626 3.507 3.735 1.00 0.00 H new ATOM 0 HA PHE 1 53 -5.635 0.764 3.444 1.00 0.00 H new ATOM 0 HB2 PHE 1 53 -5.228 2.550 5.862 1.00 0.00 H new ATOM 0 HB3 PHE 1 53 -5.048 0.810 5.964 1.00 0.00 H new ATOM 0 HD1 PHE 1 53 -3.882 0.485 3.113 1.00 0.00 H new ATOM 0 HD2 PHE 1 53 -2.944 3.092 6.346 1.00 0.00 H new ATOM 0 HE1 PHE 1 53 -1.583 0.669 2.289 1.00 0.00 H new ATOM 0 HE2 PHE 1 53 -0.635 3.279 5.526 1.00 0.00 H new ATOM 0 HZ PHE 1 53 0.049 2.070 3.490 1.00 0.00 H new ATOM 718 N LYS 1 54 -7.427 -0.355 4.804 1.00 0.00 N ATOM 719 CA LYS 1 54 -8.618 -0.985 5.350 1.00 0.00 C ATOM 720 C LYS 1 54 -8.653 -0.820 6.864 1.00 0.00 C ATOM 721 O LYS 1 54 -7.710 -1.189 7.558 1.00 0.00 O ATOM 722 CB LYS 1 54 -8.656 -2.469 4.978 1.00 0.00 C ATOM 723 CG LYS 1 54 -9.489 -2.764 3.741 1.00 0.00 C ATOM 724 CD LYS 1 54 -8.807 -3.779 2.837 1.00 0.00 C ATOM 725 CE LYS 1 54 -9.694 -4.167 1.666 1.00 0.00 C ATOM 726 NZ LYS 1 54 -10.444 -5.426 1.931 1.00 0.00 N ATOM 0 H LYS 1 54 -6.714 -1.006 4.475 1.00 0.00 H new ATOM 0 HA LYS 1 54 -9.495 -0.498 4.923 1.00 0.00 H new ATOM 0 HB2 LYS 1 54 -7.637 -2.820 4.812 1.00 0.00 H new ATOM 0 HB3 LYS 1 54 -9.056 -3.036 5.819 1.00 0.00 H new ATOM 0 HG2 LYS 1 54 -10.466 -3.142 4.041 1.00 0.00 H new ATOM 0 HG3 LYS 1 54 -9.660 -1.840 3.188 1.00 0.00 H new ATOM 0 HD2 LYS 1 54 -7.871 -3.364 2.464 1.00 0.00 H new ATOM 0 HD3 LYS 1 54 -8.554 -4.669 3.413 1.00 0.00 H new ATOM 0 HE2 LYS 1 54 -10.399 -3.361 1.462 1.00 0.00 H new ATOM 0 HE3 LYS 1 54 -9.082 -4.290 0.772 1.00 0.00 H new ATOM 0 HZ1 LYS 1 54 -10.931 -5.729 1.063 1.00 0.00 H new ATOM 0 HZ2 LYS 1 54 -9.781 -6.168 2.234 1.00 0.00 H new ATOM 0 HZ3 LYS 1 54 -11.145 -5.261 2.681 1.00 0.00 H new ATOM 740 N LYS 1 55 -9.742 -0.262 7.377 1.00 0.00 N ATOM 741 CA LYS 1 55 -9.876 -0.057 8.815 1.00 0.00 C ATOM 742 C LYS 1 55 -9.490 -1.323 9.572 1.00 0.00 C ATOM 743 O LYS 1 55 -10.074 -2.390 9.353 1.00 0.00 O ATOM 744 CB LYS 1 55 -11.310 0.346 9.164 1.00 0.00 C ATOM 745 CG LYS 1 55 -11.521 0.619 10.645 1.00 0.00 C ATOM 746 CD LYS 1 55 -12.549 1.717 10.867 1.00 0.00 C ATOM 747 CE LYS 1 55 -11.887 3.077 11.020 1.00 0.00 C ATOM 748 NZ LYS 1 55 -11.570 3.383 12.442 1.00 0.00 N ATOM 0 H LYS 1 55 -10.539 0.055 6.825 1.00 0.00 H new ATOM 0 HA LYS 1 55 -9.203 0.747 9.112 1.00 0.00 H new ATOM 0 HB2 LYS 1 55 -11.576 1.238 8.597 1.00 0.00 H new ATOM 0 HB3 LYS 1 55 -11.989 -0.447 8.849 1.00 0.00 H new ATOM 0 HG2 LYS 1 55 -11.849 -0.294 11.141 1.00 0.00 H new ATOM 0 HG3 LYS 1 55 -10.574 0.907 11.102 1.00 0.00 H new ATOM 0 HD2 LYS 1 55 -13.244 1.742 10.027 1.00 0.00 H new ATOM 0 HD3 LYS 1 55 -13.135 1.494 11.759 1.00 0.00 H new ATOM 0 HE2 LYS 1 55 -10.971 3.103 10.430 1.00 0.00 H new ATOM 0 HE3 LYS 1 55 -12.546 3.848 10.621 1.00 0.00 H new ATOM 0 HZ1 LYS 1 55 -11.120 4.319 12.504 1.00 0.00 H new ATOM 0 HZ2 LYS 1 55 -12.447 3.383 13.001 1.00 0.00 H new ATOM 0 HZ3 LYS 1 55 -10.921 2.661 12.816 1.00 0.00 H new ATOM 762 N ALA 1 56 -8.490 -1.207 10.450 1.00 0.00 N ATOM 763 CA ALA 1 56 -8.025 -2.351 11.225 1.00 0.00 C ATOM 764 C ALA 1 56 -9.184 -3.264 11.585 1.00 0.00 C ATOM 765 O ALA 1 56 -10.224 -2.807 12.060 1.00 0.00 O ATOM 766 CB ALA 1 56 -7.310 -1.905 12.485 1.00 0.00 C ATOM 0 H ALA 1 56 -7.992 -0.337 10.638 1.00 0.00 H new ATOM 0 HA ALA 1 56 -7.319 -2.903 10.605 1.00 0.00 H new ATOM 0 HB1 ALA 1 56 -6.975 -2.780 13.042 1.00 0.00 H new ATOM 0 HB2 ALA 1 56 -6.448 -1.293 12.217 1.00 0.00 H new ATOM 0 HB3 ALA 1 56 -7.992 -1.321 13.103 1.00 0.00 H new ATOM 772 N GLY 1 57 -9.013 -4.545 11.327 1.00 0.00 N ATOM 773 CA GLY 1 57 -10.071 -5.495 11.599 1.00 0.00 C ATOM 774 C GLY 1 57 -10.566 -6.142 10.326 1.00 0.00 C ATOM 775 O GLY 1 57 -11.247 -7.167 10.363 1.00 0.00 O ATOM 0 H GLY 1 57 -8.162 -4.948 10.934 1.00 0.00 H new ATOM 0 HA2 GLY 1 57 -9.707 -6.262 12.282 1.00 0.00 H new ATOM 0 HA3 GLY 1 57 -10.898 -4.989 12.098 1.00 0.00 H new ATOM 779 N THR 1 58 -10.207 -5.546 9.189 1.00 0.00 N ATOM 780 CA THR 1 58 -10.594 -6.079 7.892 1.00 0.00 C ATOM 781 C THR 1 58 -9.731 -7.291 7.551 1.00 0.00 C ATOM 782 O THR 1 58 -8.515 -7.170 7.396 1.00 0.00 O ATOM 783 CB THR 1 58 -10.437 -5.010 6.810 1.00 0.00 C ATOM 784 OG1 THR 1 58 -11.293 -3.910 7.061 1.00 0.00 O ATOM 785 CG2 THR 1 58 -10.740 -5.523 5.422 1.00 0.00 C ATOM 0 H THR 1 58 -9.649 -4.694 9.145 1.00 0.00 H new ATOM 0 HA THR 1 58 -11.640 -6.383 7.936 1.00 0.00 H new ATOM 0 HB THR 1 58 -9.390 -4.708 6.849 1.00 0.00 H new ATOM 0 HG1 THR 1 58 -10.945 -3.391 7.816 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -10.610 -4.717 4.700 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -10.060 -6.340 5.180 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -11.768 -5.883 5.383 1.00 0.00 H new ATOM 793 N VAL 1 59 -10.356 -8.458 7.445 1.00 0.00 N ATOM 794 CA VAL 1 59 -9.625 -9.680 7.133 1.00 0.00 C ATOM 795 C VAL 1 59 -9.152 -9.692 5.682 1.00 0.00 C ATOM 796 O VAL 1 59 -9.946 -9.522 4.757 1.00 0.00 O ATOM 797 CB VAL 1 59 -10.482 -10.936 7.395 1.00 0.00 C ATOM 798 CG1 VAL 1 59 -11.729 -10.927 6.524 1.00 0.00 C ATOM 799 CG2 VAL 1 59 -9.667 -12.200 7.157 1.00 0.00 C ATOM 0 H VAL 1 59 -11.361 -8.584 7.570 1.00 0.00 H new ATOM 0 HA VAL 1 59 -8.757 -9.699 7.792 1.00 0.00 H new ATOM 0 HB VAL 1 59 -10.797 -10.924 8.439 1.00 0.00 H new ATOM 0 HG11 VAL 1 59 -12.319 -11.821 6.724 1.00 0.00 H new ATOM 0 HG12 VAL 1 59 -12.324 -10.042 6.749 1.00 0.00 H new ATOM 0 HG13 VAL 1 59 -11.439 -10.912 5.473 1.00 0.00 H new ATOM 0 HG21 VAL 1 59 -10.289 -13.075 7.347 1.00 0.00 H new ATOM 0 HG22 VAL 1 59 -9.319 -12.219 6.124 1.00 0.00 H new ATOM 0 HG23 VAL 1 59 -8.809 -12.212 7.829 1.00 0.00 H new ATOM 809 N CYS 1 60 -7.851 -9.895 5.491 1.00 0.00 N ATOM 810 CA CYS 1 60 -7.270 -9.929 4.149 1.00 0.00 C ATOM 811 C CYS 1 60 -6.748 -11.323 3.796 1.00 0.00 C ATOM 812 O CYS 1 60 -6.552 -11.641 2.623 1.00 0.00 O ATOM 813 CB CYS 1 60 -6.130 -8.914 4.032 1.00 0.00 C ATOM 814 SG CYS 1 60 -6.410 -7.359 4.939 1.00 0.00 S ATOM 0 H CYS 1 60 -7.180 -10.038 6.245 1.00 0.00 H new ATOM 0 HA CYS 1 60 -8.062 -9.670 3.447 1.00 0.00 H new ATOM 0 HB2 CYS 1 60 -5.212 -9.373 4.398 1.00 0.00 H new ATOM 0 HB3 CYS 1 60 -5.973 -8.683 2.979 1.00 0.00 H new ATOM 819 N ARG 1 61 -6.516 -12.146 4.813 1.00 0.00 N ATOM 820 CA ARG 1 61 -6.006 -13.502 4.606 1.00 0.00 C ATOM 821 C ARG 1 61 -6.443 -14.424 5.745 1.00 0.00 C ATOM 822 O ARG 1 61 -7.104 -13.991 6.689 1.00 0.00 O ATOM 823 CB ARG 1 61 -4.472 -13.477 4.504 1.00 0.00 C ATOM 824 CG ARG 1 61 -3.876 -14.651 3.739 1.00 0.00 C ATOM 825 CD ARG 1 61 -2.493 -14.326 3.185 1.00 0.00 C ATOM 826 NE ARG 1 61 -1.604 -13.751 4.196 1.00 0.00 N ATOM 827 CZ ARG 1 61 -1.398 -12.445 4.352 1.00 0.00 C ATOM 828 NH1 ARG 1 61 -2.032 -11.564 3.586 1.00 0.00 N ATOM 829 NH2 ARG 1 61 -0.558 -12.016 5.284 1.00 0.00 N ATOM 0 H ARG 1 61 -6.672 -11.900 5.791 1.00 0.00 H new ATOM 0 HA ARG 1 61 -6.419 -13.888 3.674 1.00 0.00 H new ATOM 0 HB2 ARG 1 61 -4.167 -12.550 4.019 1.00 0.00 H new ATOM 0 HB3 ARG 1 61 -4.053 -13.463 5.510 1.00 0.00 H new ATOM 0 HG2 ARG 1 61 -3.809 -15.517 4.398 1.00 0.00 H new ATOM 0 HG3 ARG 1 61 -4.540 -14.925 2.919 1.00 0.00 H new ATOM 0 HD2 ARG 1 61 -2.043 -15.235 2.785 1.00 0.00 H new ATOM 0 HD3 ARG 1 61 -2.593 -13.627 2.354 1.00 0.00 H new ATOM 0 HE ARG 1 61 -1.112 -14.391 4.820 1.00 0.00 H new ATOM 0 HH11 ARG 1 61 -2.684 -11.886 2.870 1.00 0.00 H new ATOM 0 HH12 ARG 1 61 -1.867 -10.566 3.714 1.00 0.00 H new ATOM 0 HH21 ARG 1 61 -0.071 -12.686 5.879 1.00 0.00 H new ATOM 0 HH22 ARG 1 61 -0.398 -11.016 5.405 1.00 0.00 H new ATOM 843 N ILE 1 62 -6.066 -15.693 5.652 1.00 0.00 N ATOM 844 CA ILE 1 62 -6.405 -16.674 6.671 1.00 0.00 C ATOM 845 C ILE 1 62 -5.744 -18.008 6.358 1.00 0.00 C ATOM 846 O ILE 1 62 -5.771 -18.478 5.220 1.00 0.00 O ATOM 847 CB ILE 1 62 -7.929 -16.865 6.801 1.00 0.00 C ATOM 848 CG1 ILE 1 62 -8.254 -17.995 7.782 1.00 0.00 C ATOM 849 CG2 ILE 1 62 -8.548 -17.142 5.441 1.00 0.00 C ATOM 850 CD1 ILE 1 62 -7.732 -17.750 9.181 1.00 0.00 C ATOM 0 H ILE 1 62 -5.522 -16.067 4.875 1.00 0.00 H new ATOM 0 HA ILE 1 62 -6.033 -16.296 7.623 1.00 0.00 H new ATOM 0 HB ILE 1 62 -8.357 -15.942 7.193 1.00 0.00 H new ATOM 0 HG12 ILE 1 62 -9.335 -18.129 7.825 1.00 0.00 H new ATOM 0 HG13 ILE 1 62 -7.832 -18.926 7.404 1.00 0.00 H new ATOM 0 HG21 ILE 1 62 -9.624 -17.274 5.551 1.00 0.00 H new ATOM 0 HG22 ILE 1 62 -8.352 -16.302 4.774 1.00 0.00 H new ATOM 0 HG23 ILE 1 62 -8.112 -18.048 5.021 1.00 0.00 H new ATOM 0 HD11 ILE 1 62 -7.999 -18.591 9.821 1.00 0.00 H new ATOM 0 HD12 ILE 1 62 -6.647 -17.646 9.152 1.00 0.00 H new ATOM 0 HD13 ILE 1 62 -8.173 -16.836 9.579 1.00 0.00 H new ATOM 862 N ALA 1 63 -5.138 -18.602 7.373 1.00 0.00 N ATOM 863 CA ALA 1 63 -4.451 -19.876 7.211 1.00 0.00 C ATOM 864 C ALA 1 63 -5.421 -20.988 6.820 1.00 0.00 C ATOM 865 O ALA 1 63 -5.587 -21.284 5.637 1.00 0.00 O ATOM 866 CB ALA 1 63 -3.679 -20.230 8.476 1.00 0.00 C ATOM 0 H ALA 1 63 -5.107 -18.223 8.319 1.00 0.00 H new ATOM 0 HA ALA 1 63 -3.736 -19.774 6.395 1.00 0.00 H new ATOM 0 HB1 ALA 1 63 -3.172 -21.185 8.337 1.00 0.00 H new ATOM 0 HB2 ALA 1 63 -2.942 -19.454 8.682 1.00 0.00 H new ATOM 0 HB3 ALA 1 63 -4.370 -20.305 9.315 1.00 0.00 H new ATOM 872 N ARG 1 64 -6.061 -21.603 7.811 1.00 0.00 N ATOM 873 CA ARG 1 64 -7.010 -22.682 7.550 1.00 0.00 C ATOM 874 C ARG 1 64 -7.962 -22.882 8.724 1.00 0.00 C ATOM 875 O ARG 1 64 -7.942 -23.923 9.382 1.00 0.00 O ATOM 876 CB ARG 1 64 -6.265 -23.989 7.263 1.00 0.00 C ATOM 877 CG ARG 1 64 -5.592 -24.026 5.902 1.00 0.00 C ATOM 878 CD ARG 1 64 -4.151 -23.551 5.983 1.00 0.00 C ATOM 879 NE ARG 1 64 -3.202 -24.660 5.902 1.00 0.00 N ATOM 880 CZ ARG 1 64 -1.892 -24.530 6.099 1.00 0.00 C ATOM 881 NH1 ARG 1 64 -1.371 -23.344 6.389 1.00 0.00 N ATOM 882 NH2 ARG 1 64 -1.101 -25.590 6.007 1.00 0.00 N ATOM 0 H ARG 1 64 -5.941 -21.374 8.798 1.00 0.00 H new ATOM 0 HA ARG 1 64 -7.597 -22.400 6.676 1.00 0.00 H new ATOM 0 HB2 ARG 1 64 -5.511 -24.143 8.035 1.00 0.00 H new ATOM 0 HB3 ARG 1 64 -6.968 -24.819 7.333 1.00 0.00 H new ATOM 0 HG2 ARG 1 64 -5.620 -25.042 5.508 1.00 0.00 H new ATOM 0 HG3 ARG 1 64 -6.145 -23.398 5.204 1.00 0.00 H new ATOM 0 HD2 ARG 1 64 -3.956 -22.847 5.174 1.00 0.00 H new ATOM 0 HD3 ARG 1 64 -3.999 -23.012 6.918 1.00 0.00 H new ATOM 0 HE ARG 1 64 -3.565 -25.587 5.682 1.00 0.00 H new ATOM 0 HH11 ARG 1 64 -1.975 -22.526 6.462 1.00 0.00 H new ATOM 0 HH12 ARG 1 64 -0.366 -23.251 6.539 1.00 0.00 H new ATOM 0 HH21 ARG 1 64 -1.496 -26.504 5.785 1.00 0.00 H new ATOM 0 HH22 ARG 1 64 -0.097 -25.492 6.158 1.00 0.00 H new ATOM 896 N GLY 1 65 -8.800 -21.886 8.979 1.00 0.00 N ATOM 897 CA GLY 1 65 -9.749 -21.986 10.070 1.00 0.00 C ATOM 898 C GLY 1 65 -10.000 -20.662 10.759 1.00 0.00 C ATOM 899 O GLY 1 65 -10.574 -19.744 10.174 1.00 0.00 O ATOM 0 H GLY 1 65 -8.840 -21.014 8.452 1.00 0.00 H new ATOM 0 HA2 GLY 1 65 -10.693 -22.375 9.689 1.00 0.00 H new ATOM 0 HA3 GLY 1 65 -9.379 -22.705 10.801 1.00 0.00 H new ATOM 903 N ASP 1 66 -9.567 -20.570 12.009 1.00 0.00 N ATOM 904 CA ASP 1 66 -9.743 -19.355 12.796 1.00 0.00 C ATOM 905 C ASP 1 66 -8.901 -19.409 14.067 1.00 0.00 C ATOM 906 O ASP 1 66 -9.372 -19.833 15.122 1.00 0.00 O ATOM 907 CB ASP 1 66 -11.218 -19.160 13.153 1.00 0.00 C ATOM 908 CG ASP 1 66 -11.625 -17.699 13.151 1.00 0.00 C ATOM 909 OD1 ASP 1 66 -12.002 -17.190 12.075 1.00 0.00 O ATOM 910 OD2 ASP 1 66 -11.565 -17.065 14.225 1.00 0.00 O ATOM 0 H ASP 1 66 -9.090 -21.325 12.502 1.00 0.00 H new ATOM 0 HA ASP 1 66 -9.410 -18.509 12.195 1.00 0.00 H new ATOM 0 HB2 ASP 1 66 -11.837 -19.708 12.442 1.00 0.00 H new ATOM 0 HB3 ASP 1 66 -11.410 -19.587 14.137 1.00 0.00 H new ATOM 915 N TRP 1 67 -7.652 -18.980 13.950 1.00 0.00 N ATOM 916 CA TRP 1 67 -6.725 -18.975 15.078 1.00 0.00 C ATOM 917 C TRP 1 67 -6.241 -17.560 15.355 1.00 0.00 C ATOM 918 O TRP 1 67 -6.591 -16.951 16.366 1.00 0.00 O ATOM 919 CB TRP 1 67 -5.525 -19.885 14.778 1.00 0.00 C ATOM 920 CG TRP 1 67 -5.509 -20.406 13.370 1.00 0.00 C ATOM 921 CD1 TRP 1 67 -5.300 -19.689 12.224 1.00 0.00 C ATOM 922 CD2 TRP 1 67 -5.721 -21.759 12.961 1.00 0.00 C ATOM 923 NE1 TRP 1 67 -5.380 -20.512 11.132 1.00 0.00 N ATOM 924 CE2 TRP 1 67 -5.632 -21.791 11.557 1.00 0.00 C ATOM 925 CE3 TRP 1 67 -5.977 -22.945 13.648 1.00 0.00 C ATOM 926 CZ2 TRP 1 67 -5.792 -22.966 10.829 1.00 0.00 C ATOM 927 CZ3 TRP 1 67 -6.135 -24.113 12.925 1.00 0.00 C ATOM 928 CH2 TRP 1 67 -6.041 -24.116 11.527 1.00 0.00 C ATOM 0 H TRP 1 67 -7.253 -18.628 13.080 1.00 0.00 H new ATOM 0 HA TRP 1 67 -7.246 -19.350 15.959 1.00 0.00 H new ATOM 0 HB2 TRP 1 67 -4.604 -19.332 14.963 1.00 0.00 H new ATOM 0 HB3 TRP 1 67 -5.536 -20.728 15.469 1.00 0.00 H new ATOM 0 HD1 TRP 1 67 -5.101 -18.628 12.186 1.00 0.00 H new ATOM 0 HE1 TRP 1 67 -5.270 -20.221 10.161 1.00 0.00 H new ATOM 0 HE3 TRP 1 67 -6.051 -22.951 14.725 1.00 0.00 H new ATOM 0 HZ2 TRP 1 67 -5.722 -22.970 9.751 1.00 0.00 H new ATOM 0 HZ3 TRP 1 67 -6.334 -25.038 13.446 1.00 0.00 H new ATOM 0 HH2 TRP 1 67 -6.168 -25.044 10.990 1.00 0.00 H new ATOM 939 N ASN 1 68 -5.446 -17.048 14.432 1.00 0.00 N ATOM 940 CA ASN 1 68 -4.906 -15.699 14.531 1.00 0.00 C ATOM 941 C ASN 1 68 -5.552 -14.806 13.486 1.00 0.00 C ATOM 942 O ASN 1 68 -5.785 -13.620 13.717 1.00 0.00 O ATOM 943 CB ASN 1 68 -3.393 -15.703 14.321 1.00 0.00 C ATOM 944 CG ASN 1 68 -2.722 -16.933 14.902 1.00 0.00 C ATOM 945 OD1 ASN 1 68 -2.830 -18.055 14.197 1.00 0.00 O flip ATOM 946 ND2 ASN 1 68 -2.112 -16.877 15.970 1.00 0.00 N flip ATOM 0 H ASN 1 68 -5.156 -17.552 13.594 1.00 0.00 H new ATOM 0 HA ASN 1 68 -5.123 -15.318 15.529 1.00 0.00 H new ATOM 0 HB2 ASN 1 68 -3.179 -15.648 13.254 1.00 0.00 H new ATOM 0 HB3 ASN 1 68 -2.965 -14.811 14.778 1.00 0.00 H new ATOM 0 HD21 ASN 1 68 -2.054 -15.995 16.478 1.00 0.00 H new ATOM 0 HD22 ASN 1 68 -1.665 -17.713 16.346 1.00 0.00 H new ATOM 953 N ASP 1 69 -5.841 -15.397 12.331 1.00 0.00 N ATOM 954 CA ASP 1 69 -6.466 -14.677 11.234 1.00 0.00 C ATOM 955 C ASP 1 69 -5.587 -13.546 10.738 1.00 0.00 C ATOM 956 O ASP 1 69 -4.704 -13.066 11.448 1.00 0.00 O ATOM 957 CB ASP 1 69 -7.800 -14.097 11.677 1.00 0.00 C ATOM 958 CG ASP 1 69 -8.922 -15.117 11.642 1.00 0.00 C ATOM 959 OD1 ASP 1 69 -9.112 -15.826 12.652 1.00 0.00 O ATOM 960 OD2 ASP 1 69 -9.610 -15.206 10.603 1.00 0.00 O ATOM 0 H ASP 1 69 -5.650 -16.379 12.133 1.00 0.00 H new ATOM 0 HA ASP 1 69 -6.616 -15.390 10.423 1.00 0.00 H new ATOM 0 HB2 ASP 1 69 -7.703 -13.704 12.689 1.00 0.00 H new ATOM 0 HB3 ASP 1 69 -8.058 -13.257 11.033 1.00 0.00 H new ATOM 965 N ASP 1 70 -5.866 -13.100 9.523 1.00 0.00 N ATOM 966 CA ASP 1 70 -5.135 -11.996 8.936 1.00 0.00 C ATOM 967 C ASP 1 70 -6.014 -10.766 8.930 1.00 0.00 C ATOM 968 O ASP 1 70 -7.148 -10.812 8.457 1.00 0.00 O ATOM 969 CB ASP 1 70 -4.682 -12.327 7.519 1.00 0.00 C ATOM 970 CG ASP 1 70 -3.888 -11.194 6.897 1.00 0.00 C ATOM 971 OD1 ASP 1 70 -3.745 -10.142 7.554 1.00 0.00 O ATOM 972 OD2 ASP 1 70 -3.413 -11.355 5.756 1.00 0.00 O ATOM 0 H ASP 1 70 -6.596 -13.489 8.926 1.00 0.00 H new ATOM 0 HA ASP 1 70 -4.243 -11.808 9.534 1.00 0.00 H new ATOM 0 HB2 ASP 1 70 -4.073 -13.231 7.535 1.00 0.00 H new ATOM 0 HB3 ASP 1 70 -5.554 -12.541 6.900 1.00 0.00 H new ATOM 977 N TYR 1 71 -5.511 -9.677 9.488 1.00 0.00 N ATOM 978 CA TYR 1 71 -6.300 -8.465 9.568 1.00 0.00 C ATOM 979 C TYR 1 71 -5.501 -7.209 9.292 1.00 0.00 C ATOM 980 O TYR 1 71 -4.375 -7.048 9.761 1.00 0.00 O ATOM 981 CB TYR 1 71 -6.928 -8.372 10.947 1.00 0.00 C ATOM 982 CG TYR 1 71 -8.106 -9.284 11.109 1.00 0.00 C ATOM 983 CD1 TYR 1 71 -9.297 -8.991 10.478 1.00 0.00 C ATOM 984 CD2 TYR 1 71 -8.029 -10.433 11.882 1.00 0.00 C ATOM 985 CE1 TYR 1 71 -10.393 -9.809 10.607 1.00 0.00 C ATOM 986 CE2 TYR 1 71 -9.119 -11.265 12.023 1.00 0.00 C ATOM 987 CZ TYR 1 71 -10.304 -10.950 11.383 1.00 0.00 C ATOM 988 OH TYR 1 71 -11.397 -11.775 11.518 1.00 0.00 O ATOM 0 H TYR 1 71 -4.574 -9.609 9.886 1.00 0.00 H new ATOM 0 HA TYR 1 71 -7.062 -8.528 8.792 1.00 0.00 H new ATOM 0 HB2 TYR 1 71 -6.179 -8.616 11.700 1.00 0.00 H new ATOM 0 HB3 TYR 1 71 -7.241 -7.344 11.130 1.00 0.00 H new ATOM 0 HD1 TYR 1 71 -9.369 -8.101 9.871 1.00 0.00 H new ATOM 0 HD2 TYR 1 71 -7.103 -10.679 12.380 1.00 0.00 H new ATOM 0 HE1 TYR 1 71 -11.318 -9.563 10.106 1.00 0.00 H new ATOM 0 HE2 TYR 1 71 -9.048 -12.156 12.629 1.00 0.00 H new ATOM 0 HH TYR 1 71 -11.166 -12.533 12.095 1.00 0.00 H new ATOM 998 N CYS 1 72 -6.125 -6.304 8.552 1.00 0.00 N ATOM 999 CA CYS 1 72 -5.517 -5.029 8.230 1.00 0.00 C ATOM 1000 C CYS 1 72 -5.280 -4.241 9.514 1.00 0.00 C ATOM 1001 O CYS 1 72 -5.894 -4.529 10.543 1.00 0.00 O ATOM 1002 CB CYS 1 72 -6.428 -4.246 7.285 1.00 0.00 C ATOM 1003 SG CYS 1 72 -5.665 -2.752 6.581 1.00 0.00 S ATOM 0 H CYS 1 72 -7.059 -6.434 8.163 1.00 0.00 H new ATOM 0 HA CYS 1 72 -4.561 -5.195 7.734 1.00 0.00 H new ATOM 0 HB2 CYS 1 72 -6.737 -4.901 6.470 1.00 0.00 H new ATOM 0 HB3 CYS 1 72 -7.331 -3.960 7.824 1.00 0.00 H new ATOM 1008 N THR 1 73 -4.388 -3.261 9.462 1.00 0.00 N ATOM 1009 CA THR 1 73 -4.078 -2.457 10.640 1.00 0.00 C ATOM 1010 C THR 1 73 -4.481 -0.995 10.449 1.00 0.00 C ATOM 1011 O THR 1 73 -4.562 -0.237 11.415 1.00 0.00 O ATOM 1012 CB THR 1 73 -2.587 -2.558 10.962 1.00 0.00 C ATOM 1013 OG1 THR 1 73 -1.811 -1.938 9.953 1.00 0.00 O ATOM 1014 CG2 THR 1 73 -2.108 -3.989 11.099 1.00 0.00 C ATOM 0 H THR 1 73 -3.868 -3.003 8.623 1.00 0.00 H new ATOM 0 HA THR 1 73 -4.656 -2.850 11.476 1.00 0.00 H new ATOM 0 HB THR 1 73 -2.459 -2.052 11.919 1.00 0.00 H new ATOM 0 HG1 THR 1 73 -0.860 -2.012 10.179 1.00 0.00 H new ATOM 0 HG21 THR 1 73 -1.042 -3.996 11.328 1.00 0.00 H new ATOM 0 HG22 THR 1 73 -2.655 -4.480 11.904 1.00 0.00 H new ATOM 0 HG23 THR 1 73 -2.282 -4.522 10.164 1.00 0.00 H new ATOM 1022 N GLY 1 74 -4.735 -0.604 9.204 1.00 0.00 N ATOM 1023 CA GLY 1 74 -5.127 0.765 8.924 1.00 0.00 C ATOM 1024 C GLY 1 74 -3.958 1.732 8.965 1.00 0.00 C ATOM 1025 O GLY 1 74 -4.139 2.938 8.802 1.00 0.00 O ATOM 0 H GLY 1 74 -4.676 -1.210 8.385 1.00 0.00 H new ATOM 0 HA2 GLY 1 74 -5.595 0.810 7.941 1.00 0.00 H new ATOM 0 HA3 GLY 1 74 -5.878 1.079 9.649 1.00 0.00 H new ATOM 1029 N LYS 1 75 -2.756 1.205 9.181 1.00 0.00 N ATOM 1030 CA LYS 1 75 -1.558 2.033 9.239 1.00 0.00 C ATOM 1031 C LYS 1 75 -0.528 1.580 8.206 1.00 0.00 C ATOM 1032 O LYS 1 75 0.624 2.015 8.235 1.00 0.00 O ATOM 1033 CB LYS 1 75 -0.944 1.984 10.641 1.00 0.00 C ATOM 1034 CG LYS 1 75 -1.972 2.026 11.762 1.00 0.00 C ATOM 1035 CD LYS 1 75 -1.876 0.799 12.656 1.00 0.00 C ATOM 1036 CE LYS 1 75 -1.080 1.091 13.917 1.00 0.00 C ATOM 1037 NZ LYS 1 75 0.203 1.784 13.617 1.00 0.00 N ATOM 0 H LYS 1 75 -2.587 0.209 9.319 1.00 0.00 H new ATOM 0 HA LYS 1 75 -1.848 3.059 9.011 1.00 0.00 H new ATOM 0 HB2 LYS 1 75 -0.352 1.074 10.737 1.00 0.00 H new ATOM 0 HB3 LYS 1 75 -0.259 2.824 10.757 1.00 0.00 H new ATOM 0 HG2 LYS 1 75 -1.823 2.925 12.360 1.00 0.00 H new ATOM 0 HG3 LYS 1 75 -2.973 2.089 11.336 1.00 0.00 H new ATOM 0 HD2 LYS 1 75 -2.878 0.465 12.926 1.00 0.00 H new ATOM 0 HD3 LYS 1 75 -1.405 -0.016 12.107 1.00 0.00 H new ATOM 0 HE2 LYS 1 75 -1.677 1.708 14.588 1.00 0.00 H new ATOM 0 HE3 LYS 1 75 -0.874 0.157 14.441 1.00 0.00 H new ATOM 0 HZ1 LYS 1 75 0.862 1.653 14.410 1.00 0.00 H new ATOM 0 HZ2 LYS 1 75 0.619 1.385 12.751 1.00 0.00 H new ATOM 0 HZ3 LYS 1 75 0.025 2.799 13.479 1.00 0.00 H new ATOM 1051 N SER 1 76 -0.945 0.704 7.294 1.00 0.00 N ATOM 1052 CA SER 1 76 -0.052 0.199 6.259 1.00 0.00 C ATOM 1053 C SER 1 76 -0.814 -0.643 5.240 1.00 0.00 C ATOM 1054 O SER 1 76 -1.949 -1.052 5.483 1.00 0.00 O ATOM 1055 CB SER 1 76 1.069 -0.632 6.886 1.00 0.00 C ATOM 1056 OG SER 1 76 2.219 -0.647 6.057 1.00 0.00 O ATOM 0 H SER 1 76 -1.894 0.331 7.252 1.00 0.00 H new ATOM 0 HA SER 1 76 0.382 1.055 5.742 1.00 0.00 H new ATOM 0 HB2 SER 1 76 1.327 -0.222 7.863 1.00 0.00 H new ATOM 0 HB3 SER 1 76 0.722 -1.652 7.050 1.00 0.00 H new ATOM 0 HG SER 1 76 2.921 -1.183 6.481 1.00 0.00 H new ATOM 1062 N SER 1 77 -0.177 -0.897 4.100 1.00 0.00 N ATOM 1063 CA SER 1 77 -0.783 -1.692 3.034 1.00 0.00 C ATOM 1064 C SER 1 77 -0.540 -3.186 3.252 1.00 0.00 C ATOM 1065 O SER 1 77 -0.768 -3.995 2.352 1.00 0.00 O ATOM 1066 CB SER 1 77 -0.222 -1.269 1.673 1.00 0.00 C ATOM 1067 OG SER 1 77 0.939 -2.011 1.342 1.00 0.00 O ATOM 0 H SER 1 77 0.763 -0.562 3.890 1.00 0.00 H new ATOM 0 HA SER 1 77 -1.858 -1.513 3.053 1.00 0.00 H new ATOM 0 HB2 SER 1 77 -0.980 -1.414 0.904 1.00 0.00 H new ATOM 0 HB3 SER 1 77 0.016 -0.205 1.690 1.00 0.00 H new ATOM 0 HG SER 1 77 1.274 -1.721 0.468 1.00 0.00 H new ATOM 1073 N ASP 1 78 -0.073 -3.548 4.443 1.00 0.00 N ATOM 1074 CA ASP 1 78 0.202 -4.944 4.760 1.00 0.00 C ATOM 1075 C ASP 1 78 -0.842 -5.510 5.718 1.00 0.00 C ATOM 1076 O ASP 1 78 -1.245 -4.852 6.678 1.00 0.00 O ATOM 1077 CB ASP 1 78 1.597 -5.084 5.370 1.00 0.00 C ATOM 1078 CG ASP 1 78 2.686 -5.139 4.316 1.00 0.00 C ATOM 1079 OD1 ASP 1 78 3.041 -4.072 3.773 1.00 0.00 O ATOM 1080 OD2 ASP 1 78 3.183 -6.250 4.034 1.00 0.00 O ATOM 0 H ASP 1 78 0.122 -2.895 5.202 1.00 0.00 H new ATOM 0 HA ASP 1 78 0.157 -5.512 3.831 1.00 0.00 H new ATOM 0 HB2 ASP 1 78 1.784 -4.244 6.038 1.00 0.00 H new ATOM 0 HB3 ASP 1 78 1.636 -5.989 5.977 1.00 0.00 H new ATOM 1085 N CYS 1 79 -1.269 -6.739 5.450 1.00 0.00 N ATOM 1086 CA CYS 1 79 -2.260 -7.413 6.281 1.00 0.00 C ATOM 1087 C CYS 1 79 -1.637 -8.630 6.966 1.00 0.00 C ATOM 1088 O CYS 1 79 -1.514 -9.693 6.359 1.00 0.00 O ATOM 1089 CB CYS 1 79 -3.453 -7.849 5.427 1.00 0.00 C ATOM 1090 SG CYS 1 79 -4.577 -6.489 4.971 1.00 0.00 S ATOM 0 H CYS 1 79 -0.942 -7.292 4.658 1.00 0.00 H new ATOM 0 HA CYS 1 79 -2.606 -6.717 7.046 1.00 0.00 H new ATOM 0 HB2 CYS 1 79 -3.082 -8.320 4.517 1.00 0.00 H new ATOM 0 HB3 CYS 1 79 -4.018 -8.606 5.970 1.00 0.00 H new ATOM 1095 N PRO 1 80 -1.229 -8.493 8.241 1.00 0.00 N ATOM 1096 CA PRO 1 80 -0.610 -9.593 8.994 1.00 0.00 C ATOM 1097 C PRO 1 80 -1.584 -10.737 9.268 1.00 0.00 C ATOM 1098 O PRO 1 80 -2.682 -10.518 9.776 1.00 0.00 O ATOM 1099 CB PRO 1 80 -0.182 -8.929 10.307 1.00 0.00 C ATOM 1100 CG PRO 1 80 -1.075 -7.746 10.444 1.00 0.00 C ATOM 1101 CD PRO 1 80 -1.328 -7.261 9.046 1.00 0.00 C ATOM 0 HA PRO 1 80 0.212 -10.049 8.442 1.00 0.00 H new ATOM 0 HB2 PRO 1 80 -0.296 -9.610 11.150 1.00 0.00 H new ATOM 0 HB3 PRO 1 80 0.866 -8.632 10.277 1.00 0.00 H new ATOM 0 HG2 PRO 1 80 -2.008 -8.015 10.939 1.00 0.00 H new ATOM 0 HG3 PRO 1 80 -0.606 -6.970 11.048 1.00 0.00 H new ATOM 0 HD2 PRO 1 80 -2.309 -6.796 8.952 1.00 0.00 H new ATOM 0 HD3 PRO 1 80 -0.592 -6.518 8.738 1.00 0.00 H new ATOM 1109 N TRP 1 81 -1.169 -11.957 8.925 1.00 0.00 N ATOM 1110 CA TRP 1 81 -2.001 -13.148 9.127 1.00 0.00 C ATOM 1111 C TRP 1 81 -1.696 -13.856 10.443 1.00 0.00 C ATOM 1112 O TRP 1 81 -2.474 -14.688 10.909 1.00 0.00 O ATOM 1113 CB TRP 1 81 -1.837 -14.122 7.964 1.00 0.00 C ATOM 1114 CG TRP 1 81 -0.432 -14.594 7.723 1.00 0.00 C ATOM 1115 CD1 TRP 1 81 0.726 -14.145 8.296 1.00 0.00 C ATOM 1116 CD2 TRP 1 81 -0.053 -15.625 6.820 1.00 0.00 C ATOM 1117 NE1 TRP 1 81 1.800 -14.835 7.785 1.00 0.00 N ATOM 1118 CE2 TRP 1 81 1.343 -15.752 6.876 1.00 0.00 C ATOM 1119 CE3 TRP 1 81 -0.772 -16.450 5.968 1.00 0.00 C ATOM 1120 CZ2 TRP 1 81 2.034 -16.679 6.101 1.00 0.00 C ATOM 1121 CZ3 TRP 1 81 -0.093 -17.373 5.198 1.00 0.00 C ATOM 1122 CH2 TRP 1 81 1.301 -17.481 5.268 1.00 0.00 C ATOM 0 H TRP 1 81 -0.260 -12.149 8.505 1.00 0.00 H new ATOM 0 HA TRP 1 81 -3.035 -12.805 9.171 1.00 0.00 H new ATOM 0 HB2 TRP 1 81 -2.470 -14.991 8.146 1.00 0.00 H new ATOM 0 HB3 TRP 1 81 -2.204 -13.645 7.056 1.00 0.00 H new ATOM 0 HD1 TRP 1 81 0.788 -13.364 9.040 1.00 0.00 H new ATOM 0 HE1 TRP 1 81 2.776 -14.688 8.041 1.00 0.00 H new ATOM 0 HE3 TRP 1 81 -1.847 -16.372 5.908 1.00 0.00 H new ATOM 0 HZ2 TRP 1 81 3.109 -16.763 6.155 1.00 0.00 H new ATOM 0 HZ3 TRP 1 81 -0.645 -18.021 4.533 1.00 0.00 H new ATOM 0 HH2 TRP 1 81 1.808 -18.210 4.654 1.00 0.00 H new ATOM 1133 N ASN 1 82 -0.569 -13.516 11.029 1.00 0.00 N ATOM 1134 CA ASN 1 82 -0.143 -14.104 12.295 1.00 0.00 C ATOM 1135 C ASN 1 82 0.068 -15.609 12.160 1.00 0.00 C ATOM 1136 O ASN 1 82 -0.372 -16.386 13.007 1.00 0.00 O ATOM 1137 CB ASN 1 82 -1.175 -13.816 13.388 1.00 0.00 C ATOM 1138 CG ASN 1 82 -0.972 -12.457 14.031 1.00 0.00 C ATOM 1139 OD1 ASN 1 82 0.146 -12.088 14.389 1.00 0.00 O ATOM 1140 ND2 ASN 1 82 -2.057 -11.706 14.180 1.00 0.00 N ATOM 0 H ASN 1 82 0.081 -12.828 10.649 1.00 0.00 H new ATOM 0 HA ASN 1 82 0.808 -13.650 12.573 1.00 0.00 H new ATOM 0 HB2 ASN 1 82 -2.177 -13.867 12.961 1.00 0.00 H new ATOM 0 HB3 ASN 1 82 -1.115 -14.590 14.153 1.00 0.00 H new ATOM 0 HD21 ASN 1 82 -1.983 -10.782 14.606 1.00 0.00 H new ATOM 0 HD22 ASN 1 82 -2.964 -12.053 13.868 1.00 0.00 H new ATOM 1147 N HIS 1 83 0.746 -16.013 11.091 1.00 0.00 N ATOM 1148 CA HIS 1 83 1.017 -17.426 10.847 1.00 0.00 C ATOM 1149 C HIS 1 83 2.466 -17.637 10.423 1.00 0.00 C ATOM 1150 O HIS 1 83 2.825 -18.788 10.097 1.00 0.00 O ATOM 1151 CB HIS 1 83 0.074 -17.970 9.772 1.00 0.00 C ATOM 1152 CG HIS 1 83 -1.357 -17.589 9.986 1.00 0.00 C ATOM 1153 ND1 HIS 1 83 -2.184 -17.167 8.968 1.00 0.00 N ATOM 1154 CD2 HIS 1 83 -2.109 -17.566 11.112 1.00 0.00 C ATOM 1155 CE1 HIS 1 83 -3.381 -16.898 9.458 1.00 0.00 C ATOM 1156 NE2 HIS 1 83 -3.361 -17.134 10.756 1.00 0.00 N ATOM 1157 OXT HIS 1 83 3.231 -16.650 10.421 1.00 0.00 O ATOM 0 H HIS 1 83 1.118 -15.383 10.380 1.00 0.00 H new ATOM 0 HA HIS 1 83 0.847 -17.968 11.777 1.00 0.00 H new ATOM 0 HB2 HIS 1 83 0.397 -17.604 8.797 1.00 0.00 H new ATOM 0 HB3 HIS 1 83 0.153 -19.057 9.747 1.00 0.00 H new ATOM 0 HD1 HIS 1 83 -1.914 -17.076 7.989 1.00 0.00 H new ATOM 0 HD2 HIS 1 83 -1.783 -17.837 12.105 1.00 0.00 H new ATOM 0 HE1 HIS 1 83 -4.231 -16.545 8.893 1.00 0.00 H new