USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 683 hydrogens (8 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 NoAdj-H: B 203 SEP H2 : B 203 SEP N : B 202 ILE C :(H bumps) USER MOD NoAdj-H: B 203 SEP H : B 203 SEP N : B 202 ILE C :(H bumps) USER MOD NoAdj-H: B 205 SEP H2 : B 205 SEP N : B 204 ASP C :(H bumps) USER MOD NoAdj-H: B 205 SEP H : B 205 SEP N : B 204 ASP C :(H bumps) USER MOD Set 1.1: A 57 GLN : amide:sc= 0 K(o=-0.17,f=-0.92) USER MOD Set 1.2: A 88 GLN : amide:sc= -0.167 K(o=-0.17,f=-2!) USER MOD Single : A 17 HIS : no HE2:sc= -1.79 K(o=-1.8,f=-3.6) USER MOD Single : A 19 ASN : amide:sc= 0.606 K(o=0.61,f=0) USER MOD Single : A 21 LYS NZ :NH3+ -160:sc= 1.06 (180deg=0.763) USER MOD Single : A 25 GLN : amide:sc= -0.0208 X(o=-0.021,f=-0.021) USER MOD Single : A 28 SER OG : rot -65:sc= 0.849 USER MOD Single : A 31 GLN : amide:sc= -0.793 K(o=-0.79,f=-3.3!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -126:sc= 0.986 (180deg=0.136) USER MOD Single : A 37 HIS : no HD1:sc= -1.6 K(o=-1.6,f=-2.3) USER MOD Single : A 38 THR OG1 : rot 180:sc= -1.72! USER MOD Single : A 41 SER OG : rot 180:sc= -0.221 USER MOD Single : A 42 LYS NZ :NH3+ 161:sc= 1.22 (180deg=0.962) USER MOD Single : A 44 MET CE :methyl -179:sc= -0.328 (180deg=-0.331) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 CYS SG : rot -81:sc= -0.251 USER MOD Single : A 51 GLN : amide:sc= -0.041 X(o=-0.041,f=-0.041) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl 169:sc= -0.0173 (180deg=-0.219) USER MOD Single : A 65 GLN : amide:sc= -0.124 K(o=-0.12,f=-1) USER MOD Single : A 68 ASN : amide:sc=-0.00896 K(o=-0.009,f=-0.97) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.27 USER MOD Single : A 75 GLN : amide:sc= -0.0265 K(o=-0.027,f=-0.59) USER MOD Single : A 78 MET CE :methyl -111:sc= -0.043 (180deg=-0.835) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0.0381 K(o=0.038,f=-0.67) USER MOD Single : A 90 GLN : amide:sc= -0.0609 K(o=-0.061,f=-3!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.00538 USER MOD Single : B 196 THR OG1 : rot 180:sc= 0 USER MOD Single : B 199 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 16 10.330 15.313 -1.004 1.00 10.00 N ATOM 2 CA ASP A 16 9.496 15.088 0.172 1.00 10.00 C ATOM 3 C ASP A 16 8.582 13.889 -0.060 1.00 10.00 C ATOM 4 O ASP A 16 8.673 13.218 -1.090 1.00 10.00 O ATOM 5 CB ASP A 16 8.662 16.337 0.488 1.00 10.00 C ATOM 6 CG ASP A 16 8.423 16.533 1.976 1.00 10.00 C ATOM 7 OD1 ASP A 16 7.763 15.676 2.603 1.00 10.00 O ATOM 8 OD2 ASP A 16 8.888 17.555 2.523 1.00 10.00 O ATOM 0 HA ASP A 16 10.143 14.882 1.024 1.00 10.00 H new ATOM 0 HB2 ASP A 16 9.169 17.216 0.089 1.00 10.00 H new ATOM 0 HB3 ASP A 16 7.701 16.264 -0.022 1.00 10.00 H new ATOM 13 N HIS A 17 7.704 13.633 0.889 1.00 10.00 N ATOM 14 CA HIS A 17 6.776 12.521 0.797 1.00 10.00 C ATOM 15 C HIS A 17 5.418 13.011 0.325 1.00 10.00 C ATOM 16 O HIS A 17 5.121 14.205 0.388 1.00 10.00 O ATOM 17 CB HIS A 17 6.632 11.831 2.155 1.00 10.00 C ATOM 18 CG HIS A 17 7.827 11.018 2.554 1.00 10.00 C ATOM 19 ND1 HIS A 17 8.926 11.594 3.152 1.00 10.00 N ATOM 20 CD2 HIS A 17 8.040 9.688 2.424 1.00 10.00 C ATOM 21 CE1 HIS A 17 9.776 10.605 3.371 1.00 10.00 C ATOM 22 NE2 HIS A 17 9.280 9.436 2.948 1.00 10.00 N ATOM 0 H HIS A 17 7.613 14.186 1.741 1.00 10.00 H new ATOM 0 HA HIS A 17 7.168 11.803 0.077 1.00 10.00 H new ATOM 0 HB2 HIS A 17 6.448 12.587 2.918 1.00 10.00 H new ATOM 0 HB3 HIS A 17 5.756 11.183 2.131 1.00 10.00 H new ATOM 0 HD1 HIS A 17 9.057 12.580 3.379 1.00 10.00 H new ATOM 0 HD2 HIS A 17 7.364 8.966 1.991 1.00 10.00 H new ATOM 0 HE1 HIS A 17 10.745 10.725 3.832 1.00 10.00 H new ATOM 30 N ILE A 18 4.603 12.094 -0.162 1.00 10.00 N ATOM 31 CA ILE A 18 3.273 12.435 -0.625 1.00 10.00 C ATOM 32 C ILE A 18 2.233 11.633 0.150 1.00 10.00 C ATOM 33 O ILE A 18 2.340 10.411 0.282 1.00 10.00 O ATOM 34 CB ILE A 18 3.110 12.219 -2.154 1.00 10.00 C ATOM 35 CG1 ILE A 18 1.720 12.674 -2.612 1.00 10.00 C ATOM 36 CG2 ILE A 18 3.352 10.764 -2.537 1.00 10.00 C ATOM 37 CD1 ILE A 18 1.549 12.696 -4.116 1.00 10.00 C ATOM 0 H ILE A 18 4.840 11.106 -0.247 1.00 10.00 H new ATOM 0 HA ILE A 18 3.118 13.498 -0.440 1.00 10.00 H new ATOM 0 HB ILE A 18 3.861 12.825 -2.661 1.00 10.00 H new ATOM 0 HG12 ILE A 18 0.970 12.011 -2.180 1.00 10.00 H new ATOM 0 HG13 ILE A 18 1.527 13.672 -2.219 1.00 10.00 H new ATOM 0 HG21 ILE A 18 3.230 10.646 -3.614 1.00 10.00 H new ATOM 0 HG22 ILE A 18 4.364 10.476 -2.253 1.00 10.00 H new ATOM 0 HG23 ILE A 18 2.635 10.127 -2.019 1.00 10.00 H new ATOM 0 HD11 ILE A 18 0.541 13.028 -4.363 1.00 10.00 H new ATOM 0 HD12 ILE A 18 2.274 13.381 -4.555 1.00 10.00 H new ATOM 0 HD13 ILE A 18 1.709 11.694 -4.515 1.00 10.00 H new ATOM 49 N ASN A 19 1.253 12.332 0.695 1.00 10.00 N ATOM 50 CA ASN A 19 0.199 11.699 1.471 1.00 10.00 C ATOM 51 C ASN A 19 -0.974 11.349 0.569 1.00 10.00 C ATOM 52 O ASN A 19 -1.576 12.226 -0.047 1.00 10.00 O ATOM 53 CB ASN A 19 -0.263 12.624 2.600 1.00 10.00 C ATOM 54 CG ASN A 19 0.881 13.114 3.470 1.00 10.00 C ATOM 55 OD1 ASN A 19 1.232 12.489 4.475 1.00 10.00 O ATOM 56 ND2 ASN A 19 1.472 14.238 3.091 1.00 10.00 N ATOM 0 H ASN A 19 1.164 13.345 0.614 1.00 10.00 H new ATOM 0 HA ASN A 19 0.593 10.783 1.912 1.00 10.00 H new ATOM 0 HB2 ASN A 19 -0.779 13.483 2.171 1.00 10.00 H new ATOM 0 HB3 ASN A 19 -0.985 12.096 3.222 1.00 10.00 H new ATOM 0 HD21 ASN A 19 2.247 14.616 3.636 1.00 10.00 H new ATOM 0 HD22 ASN A 19 1.152 14.725 2.254 1.00 10.00 H new ATOM 63 N LEU A 20 -1.281 10.071 0.476 1.00 10.00 N ATOM 64 CA LEU A 20 -2.382 9.611 -0.357 1.00 10.00 C ATOM 65 C LEU A 20 -3.471 8.988 0.507 1.00 10.00 C ATOM 66 O LEU A 20 -3.181 8.222 1.422 1.00 10.00 O ATOM 67 CB LEU A 20 -1.871 8.606 -1.390 1.00 10.00 C ATOM 68 CG LEU A 20 -0.759 9.136 -2.302 1.00 10.00 C ATOM 69 CD1 LEU A 20 -0.126 8.002 -3.092 1.00 10.00 C ATOM 70 CD2 LEU A 20 -1.299 10.204 -3.240 1.00 10.00 C ATOM 0 H LEU A 20 -0.784 9.328 0.967 1.00 10.00 H new ATOM 0 HA LEU A 20 -2.809 10.464 -0.885 1.00 10.00 H new ATOM 0 HB2 LEU A 20 -1.504 7.723 -0.867 1.00 10.00 H new ATOM 0 HB3 LEU A 20 -2.708 8.284 -2.009 1.00 10.00 H new ATOM 0 HG LEU A 20 0.010 9.587 -1.675 1.00 10.00 H new ATOM 0 HD11 LEU A 20 0.661 8.400 -3.733 1.00 10.00 H new ATOM 0 HD12 LEU A 20 0.301 7.273 -2.403 1.00 10.00 H new ATOM 0 HD13 LEU A 20 -0.885 7.519 -3.707 1.00 10.00 H new ATOM 0 HD21 LEU A 20 -0.494 10.568 -3.879 1.00 10.00 H new ATOM 0 HD22 LEU A 20 -2.090 9.779 -3.858 1.00 10.00 H new ATOM 0 HD23 LEU A 20 -1.701 11.032 -2.656 1.00 10.00 H new ATOM 82 N LYS A 21 -4.720 9.328 0.228 1.00 10.00 N ATOM 83 CA LYS A 21 -5.835 8.806 1.003 1.00 10.00 C ATOM 84 C LYS A 21 -6.606 7.752 0.219 1.00 10.00 C ATOM 85 O LYS A 21 -7.216 8.048 -0.809 1.00 10.00 O ATOM 86 CB LYS A 21 -6.778 9.941 1.400 1.00 10.00 C ATOM 87 CG LYS A 21 -6.078 11.101 2.087 1.00 10.00 C ATOM 88 CD LYS A 21 -7.030 12.253 2.337 1.00 10.00 C ATOM 89 CE LYS A 21 -6.335 13.395 3.062 1.00 10.00 C ATOM 90 NZ LYS A 21 -7.246 14.545 3.298 1.00 10.00 N ATOM 0 H LYS A 21 -4.986 9.961 -0.526 1.00 10.00 H new ATOM 0 HA LYS A 21 -5.428 8.339 1.900 1.00 10.00 H new ATOM 0 HB2 LYS A 21 -7.285 10.310 0.508 1.00 10.00 H new ATOM 0 HB3 LYS A 21 -7.548 9.547 2.064 1.00 10.00 H new ATOM 0 HG2 LYS A 21 -5.656 10.764 3.034 1.00 10.00 H new ATOM 0 HG3 LYS A 21 -5.246 11.442 1.471 1.00 10.00 H new ATOM 0 HD2 LYS A 21 -7.429 12.611 1.388 1.00 10.00 H new ATOM 0 HD3 LYS A 21 -7.877 11.906 2.928 1.00 10.00 H new ATOM 0 HE2 LYS A 21 -5.950 13.037 4.017 1.00 10.00 H new ATOM 0 HE3 LYS A 21 -5.477 13.727 2.477 1.00 10.00 H new ATOM 0 HZ1 LYS A 21 -6.684 15.403 3.473 1.00 10.00 H new ATOM 0 HZ2 LYS A 21 -7.847 14.689 2.461 1.00 10.00 H new ATOM 0 HZ3 LYS A 21 -7.845 14.349 4.125 1.00 10.00 H new ATOM 104 N VAL A 22 -6.569 6.521 0.703 1.00 10.00 N ATOM 105 CA VAL A 22 -7.281 5.426 0.060 1.00 10.00 C ATOM 106 C VAL A 22 -8.744 5.438 0.488 1.00 10.00 C ATOM 107 O VAL A 22 -9.052 5.585 1.675 1.00 10.00 O ATOM 108 CB VAL A 22 -6.655 4.059 0.405 1.00 10.00 C ATOM 109 CG1 VAL A 22 -7.383 2.930 -0.305 1.00 10.00 C ATOM 110 CG2 VAL A 22 -5.176 4.048 0.056 1.00 10.00 C ATOM 0 H VAL A 22 -6.052 6.254 1.541 1.00 10.00 H new ATOM 0 HA VAL A 22 -7.207 5.570 -1.018 1.00 10.00 H new ATOM 0 HB VAL A 22 -6.758 3.901 1.478 1.00 10.00 H new ATOM 0 HG11 VAL A 22 -6.921 1.978 -0.044 1.00 10.00 H new ATOM 0 HG12 VAL A 22 -8.429 2.922 0.002 1.00 10.00 H new ATOM 0 HG13 VAL A 22 -7.322 3.079 -1.383 1.00 10.00 H new ATOM 0 HG21 VAL A 22 -4.750 3.076 0.306 1.00 10.00 H new ATOM 0 HG22 VAL A 22 -5.052 4.235 -1.011 1.00 10.00 H new ATOM 0 HG23 VAL A 22 -4.663 4.825 0.622 1.00 10.00 H new ATOM 120 N ALA A 23 -9.639 5.318 -0.480 1.00 10.00 N ATOM 121 CA ALA A 23 -11.065 5.314 -0.211 1.00 10.00 C ATOM 122 C ALA A 23 -11.561 3.900 0.056 1.00 10.00 C ATOM 123 O ALA A 23 -10.888 2.921 -0.267 1.00 10.00 O ATOM 124 CB ALA A 23 -11.824 5.929 -1.375 1.00 10.00 C ATOM 0 H ALA A 23 -9.398 5.221 -1.466 1.00 10.00 H new ATOM 0 HA ALA A 23 -11.246 5.914 0.681 1.00 10.00 H new ATOM 0 HB1 ALA A 23 -12.892 5.919 -1.159 1.00 10.00 H new ATOM 0 HB2 ALA A 23 -11.493 6.957 -1.522 1.00 10.00 H new ATOM 0 HB3 ALA A 23 -11.632 5.353 -2.280 1.00 10.00 H new ATOM 130 N GLY A 24 -12.726 3.803 0.665 1.00 10.00 N ATOM 131 CA GLY A 24 -13.308 2.516 0.965 1.00 10.00 C ATOM 132 C GLY A 24 -14.815 2.596 0.994 1.00 10.00 C ATOM 133 O GLY A 24 -15.374 3.591 1.452 1.00 10.00 O ATOM 0 H GLY A 24 -13.286 4.602 0.961 1.00 10.00 H new ATOM 0 HA2 GLY A 24 -12.993 1.788 0.217 1.00 10.00 H new ATOM 0 HA3 GLY A 24 -12.941 2.163 1.928 1.00 10.00 H new ATOM 137 N GLN A 25 -15.478 1.550 0.517 1.00 10.00 N ATOM 138 CA GLN A 25 -16.937 1.515 0.484 1.00 10.00 C ATOM 139 C GLN A 25 -17.510 1.534 1.899 1.00 10.00 C ATOM 140 O GLN A 25 -18.623 2.014 2.125 1.00 10.00 O ATOM 141 CB GLN A 25 -17.425 0.274 -0.267 1.00 10.00 C ATOM 142 CG GLN A 25 -16.905 0.169 -1.697 1.00 10.00 C ATOM 143 CD GLN A 25 -17.388 1.297 -2.593 1.00 10.00 C ATOM 144 OE1 GLN A 25 -18.471 1.222 -3.180 1.00 10.00 O ATOM 145 NE2 GLN A 25 -16.586 2.345 -2.717 1.00 10.00 N ATOM 0 H GLN A 25 -15.029 0.713 0.147 1.00 10.00 H new ATOM 0 HA GLN A 25 -17.287 2.403 -0.042 1.00 10.00 H new ATOM 0 HB2 GLN A 25 -17.121 -0.615 0.285 1.00 10.00 H new ATOM 0 HB3 GLN A 25 -18.515 0.279 -0.287 1.00 10.00 H new ATOM 0 HG2 GLN A 25 -15.815 0.167 -1.681 1.00 10.00 H new ATOM 0 HG3 GLN A 25 -17.219 -0.784 -2.122 1.00 10.00 H new ATOM 0 HE21 GLN A 25 -15.698 2.370 -2.215 1.00 10.00 H new ATOM 0 HE22 GLN A 25 -16.857 3.126 -3.314 1.00 10.00 H new ATOM 154 N ASP A 26 -16.735 1.020 2.852 1.00 10.00 N ATOM 155 CA ASP A 26 -17.154 0.979 4.253 1.00 10.00 C ATOM 156 C ASP A 26 -16.868 2.303 4.951 1.00 10.00 C ATOM 157 O ASP A 26 -17.417 2.585 6.017 1.00 10.00 O ATOM 158 CB ASP A 26 -16.444 -0.154 4.995 1.00 10.00 C ATOM 159 CG ASP A 26 -14.971 0.126 5.217 1.00 10.00 C ATOM 160 OD1 ASP A 26 -14.318 0.666 4.299 1.00 10.00 O ATOM 161 OD2 ASP A 26 -14.455 -0.202 6.303 1.00 10.00 O ATOM 0 H ASP A 26 -15.811 0.625 2.679 1.00 10.00 H new ATOM 0 HA ASP A 26 -18.229 0.800 4.269 1.00 10.00 H new ATOM 0 HB2 ASP A 26 -16.929 -0.312 5.958 1.00 10.00 H new ATOM 0 HB3 ASP A 26 -16.553 -1.079 4.428 1.00 10.00 H new ATOM 166 N GLY A 27 -16.000 3.106 4.354 1.00 10.00 N ATOM 167 CA GLY A 27 -15.667 4.394 4.928 1.00 10.00 C ATOM 168 C GLY A 27 -14.308 4.416 5.601 1.00 10.00 C ATOM 169 O GLY A 27 -13.901 5.448 6.132 1.00 10.00 O ATOM 0 H GLY A 27 -15.519 2.889 3.481 1.00 10.00 H new ATOM 0 HA2 GLY A 27 -15.689 5.150 4.144 1.00 10.00 H new ATOM 0 HA3 GLY A 27 -16.430 4.668 5.656 1.00 10.00 H new ATOM 173 N SER A 28 -13.602 3.291 5.584 1.00 10.00 N ATOM 174 CA SER A 28 -12.285 3.223 6.203 1.00 10.00 C ATOM 175 C SER A 28 -11.297 4.109 5.450 1.00 10.00 C ATOM 176 O SER A 28 -11.199 4.046 4.222 1.00 10.00 O ATOM 177 CB SER A 28 -11.781 1.776 6.242 1.00 10.00 C ATOM 178 OG SER A 28 -11.870 1.159 4.966 1.00 10.00 O ATOM 0 H SER A 28 -13.916 2.422 5.153 1.00 10.00 H new ATOM 0 HA SER A 28 -12.368 3.586 7.227 1.00 10.00 H new ATOM 0 HB2 SER A 28 -10.746 1.759 6.584 1.00 10.00 H new ATOM 0 HB3 SER A 28 -12.365 1.206 6.965 1.00 10.00 H new ATOM 0 HG SER A 28 -12.812 1.075 4.708 1.00 10.00 H new ATOM 184 N VAL A 29 -10.583 4.949 6.180 1.00 10.00 N ATOM 185 CA VAL A 29 -9.614 5.840 5.570 1.00 10.00 C ATOM 186 C VAL A 29 -8.194 5.354 5.837 1.00 10.00 C ATOM 187 O VAL A 29 -7.836 5.024 6.974 1.00 10.00 O ATOM 188 CB VAL A 29 -9.784 7.298 6.067 1.00 10.00 C ATOM 189 CG1 VAL A 29 -9.714 7.379 7.588 1.00 10.00 C ATOM 190 CG2 VAL A 29 -8.740 8.209 5.432 1.00 10.00 C ATOM 0 H VAL A 29 -10.657 5.032 7.194 1.00 10.00 H new ATOM 0 HA VAL A 29 -9.795 5.831 4.495 1.00 10.00 H new ATOM 0 HB VAL A 29 -10.773 7.639 5.761 1.00 10.00 H new ATOM 0 HG11 VAL A 29 -9.837 8.415 7.903 1.00 10.00 H new ATOM 0 HG12 VAL A 29 -10.508 6.771 8.022 1.00 10.00 H new ATOM 0 HG13 VAL A 29 -8.747 7.009 7.928 1.00 10.00 H new ATOM 0 HG21 VAL A 29 -8.877 9.228 5.794 1.00 10.00 H new ATOM 0 HG22 VAL A 29 -7.742 7.860 5.699 1.00 10.00 H new ATOM 0 HG23 VAL A 29 -8.853 8.191 4.348 1.00 10.00 H new ATOM 200 N VAL A 30 -7.402 5.267 4.781 1.00 10.00 N ATOM 201 CA VAL A 30 -6.021 4.832 4.898 1.00 10.00 C ATOM 202 C VAL A 30 -5.080 5.917 4.390 1.00 10.00 C ATOM 203 O VAL A 30 -5.136 6.305 3.222 1.00 10.00 O ATOM 204 CB VAL A 30 -5.755 3.521 4.125 1.00 10.00 C ATOM 205 CG1 VAL A 30 -4.343 3.023 4.389 1.00 10.00 C ATOM 206 CG2 VAL A 30 -6.779 2.456 4.490 1.00 10.00 C ATOM 0 H VAL A 30 -7.694 5.493 3.830 1.00 10.00 H new ATOM 0 HA VAL A 30 -5.835 4.643 5.955 1.00 10.00 H new ATOM 0 HB VAL A 30 -5.853 3.729 3.060 1.00 10.00 H new ATOM 0 HG11 VAL A 30 -4.174 2.099 3.836 1.00 10.00 H new ATOM 0 HG12 VAL A 30 -3.625 3.776 4.065 1.00 10.00 H new ATOM 0 HG13 VAL A 30 -4.216 2.836 5.455 1.00 10.00 H new ATOM 0 HG21 VAL A 30 -6.569 1.543 3.932 1.00 10.00 H new ATOM 0 HG22 VAL A 30 -6.723 2.249 5.559 1.00 10.00 H new ATOM 0 HG23 VAL A 30 -7.779 2.812 4.241 1.00 10.00 H new ATOM 216 N GLN A 31 -4.233 6.406 5.282 1.00 10.00 N ATOM 217 CA GLN A 31 -3.276 7.445 4.945 1.00 10.00 C ATOM 218 C GLN A 31 -1.963 6.814 4.499 1.00 10.00 C ATOM 219 O GLN A 31 -1.200 6.293 5.317 1.00 10.00 O ATOM 220 CB GLN A 31 -3.039 8.368 6.145 1.00 10.00 C ATOM 221 CG GLN A 31 -2.252 9.626 5.800 1.00 10.00 C ATOM 222 CD GLN A 31 -3.135 10.772 5.340 1.00 10.00 C ATOM 223 OE1 GLN A 31 -4.205 10.563 4.767 1.00 10.00 O ATOM 224 NE2 GLN A 31 -2.695 11.993 5.599 1.00 10.00 N ATOM 0 H GLN A 31 -4.190 6.096 6.253 1.00 10.00 H new ATOM 0 HA GLN A 31 -3.681 8.042 4.127 1.00 10.00 H new ATOM 0 HB2 GLN A 31 -4.002 8.656 6.567 1.00 10.00 H new ATOM 0 HB3 GLN A 31 -2.505 7.816 6.918 1.00 10.00 H new ATOM 0 HG2 GLN A 31 -1.682 9.942 6.674 1.00 10.00 H new ATOM 0 HG3 GLN A 31 -1.531 9.393 5.016 1.00 10.00 H new ATOM 0 HE21 GLN A 31 -1.803 12.123 6.076 1.00 10.00 H new ATOM 0 HE22 GLN A 31 -3.248 12.804 5.322 1.00 10.00 H new ATOM 233 N PHE A 32 -1.721 6.849 3.205 1.00 10.00 N ATOM 234 CA PHE A 32 -0.515 6.283 2.629 1.00 10.00 C ATOM 235 C PHE A 32 0.588 7.329 2.559 1.00 10.00 C ATOM 236 O PHE A 32 0.435 8.360 1.904 1.00 10.00 O ATOM 237 CB PHE A 32 -0.806 5.757 1.226 1.00 10.00 C ATOM 238 CG PHE A 32 -0.827 4.262 1.129 1.00 10.00 C ATOM 239 CD1 PHE A 32 -2.007 3.563 1.298 1.00 10.00 C ATOM 240 CD2 PHE A 32 0.335 3.558 0.863 1.00 10.00 C ATOM 241 CE1 PHE A 32 -2.032 2.186 1.196 1.00 10.00 C ATOM 242 CE2 PHE A 32 0.318 2.183 0.762 1.00 10.00 C ATOM 243 CZ PHE A 32 -0.866 1.495 0.930 1.00 10.00 C ATOM 0 H PHE A 32 -2.352 7.269 2.523 1.00 10.00 H new ATOM 0 HA PHE A 32 -0.183 5.463 3.265 1.00 10.00 H new ATOM 0 HB2 PHE A 32 -1.769 6.146 0.896 1.00 10.00 H new ATOM 0 HB3 PHE A 32 -0.053 6.145 0.540 1.00 10.00 H new ATOM 0 HD1 PHE A 32 -2.920 4.099 1.512 1.00 10.00 H new ATOM 0 HD2 PHE A 32 1.265 4.092 0.733 1.00 10.00 H new ATOM 0 HE1 PHE A 32 -2.961 1.651 1.324 1.00 10.00 H new ATOM 0 HE2 PHE A 32 1.231 1.645 0.552 1.00 10.00 H new ATOM 0 HZ PHE A 32 -0.881 0.418 0.854 1.00 10.00 H new ATOM 253 N LYS A 33 1.685 7.069 3.246 1.00 10.00 N ATOM 254 CA LYS A 33 2.818 7.975 3.237 1.00 10.00 C ATOM 255 C LYS A 33 3.950 7.343 2.440 1.00 10.00 C ATOM 256 O LYS A 33 4.647 6.456 2.932 1.00 10.00 O ATOM 257 CB LYS A 33 3.271 8.300 4.665 1.00 10.00 C ATOM 258 CG LYS A 33 4.582 9.067 4.726 1.00 10.00 C ATOM 259 CD LYS A 33 4.816 9.677 6.098 1.00 10.00 C ATOM 260 CE LYS A 33 6.055 10.557 6.108 1.00 10.00 C ATOM 261 NZ LYS A 33 6.320 11.133 7.451 1.00 10.00 N ATOM 0 H LYS A 33 1.815 6.235 3.819 1.00 10.00 H new ATOM 0 HA LYS A 33 2.525 8.914 2.767 1.00 10.00 H new ATOM 0 HB2 LYS A 33 2.495 8.883 5.160 1.00 10.00 H new ATOM 0 HB3 LYS A 33 3.377 7.371 5.224 1.00 10.00 H new ATOM 0 HG2 LYS A 33 5.406 8.398 4.481 1.00 10.00 H new ATOM 0 HG3 LYS A 33 4.577 9.856 3.974 1.00 10.00 H new ATOM 0 HD2 LYS A 33 3.947 10.266 6.389 1.00 10.00 H new ATOM 0 HD3 LYS A 33 4.925 8.883 6.837 1.00 10.00 H new ATOM 0 HE2 LYS A 33 6.917 9.972 5.788 1.00 10.00 H new ATOM 0 HE3 LYS A 33 5.932 11.364 5.386 1.00 10.00 H new ATOM 0 HZ1 LYS A 33 7.174 11.726 7.412 1.00 10.00 H new ATOM 0 HZ2 LYS A 33 5.509 11.713 7.746 1.00 10.00 H new ATOM 0 HZ3 LYS A 33 6.464 10.364 8.136 1.00 10.00 H new ATOM 275 N ILE A 34 4.103 7.768 1.193 1.00 10.00 N ATOM 276 CA ILE A 34 5.136 7.218 0.329 1.00 10.00 C ATOM 277 C ILE A 34 5.919 8.335 -0.360 1.00 10.00 C ATOM 278 O ILE A 34 5.466 9.479 -0.410 1.00 10.00 O ATOM 279 CB ILE A 34 4.534 6.248 -0.732 1.00 10.00 C ATOM 280 CG1 ILE A 34 4.341 6.937 -2.088 1.00 10.00 C ATOM 281 CG2 ILE A 34 3.203 5.675 -0.248 1.00 10.00 C ATOM 282 CD1 ILE A 34 3.761 6.032 -3.156 1.00 10.00 C ATOM 0 H ILE A 34 3.527 8.489 0.759 1.00 10.00 H new ATOM 0 HA ILE A 34 5.820 6.648 0.958 1.00 10.00 H new ATOM 0 HB ILE A 34 5.247 5.434 -0.864 1.00 10.00 H new ATOM 0 HG12 ILE A 34 3.684 7.797 -1.958 1.00 10.00 H new ATOM 0 HG13 ILE A 34 5.302 7.319 -2.431 1.00 10.00 H new ATOM 0 HG21 ILE A 34 2.801 5.001 -1.004 1.00 10.00 H new ATOM 0 HG22 ILE A 34 3.359 5.127 0.681 1.00 10.00 H new ATOM 0 HG23 ILE A 34 2.498 6.488 -0.075 1.00 10.00 H new ATOM 0 HD11 ILE A 34 3.654 6.590 -4.086 1.00 10.00 H new ATOM 0 HD12 ILE A 34 4.427 5.184 -3.316 1.00 10.00 H new ATOM 0 HD13 ILE A 34 2.784 5.670 -2.835 1.00 10.00 H new ATOM 294 N LYS A 35 7.105 8.007 -0.852 1.00 10.00 N ATOM 295 CA LYS A 35 7.933 8.979 -1.550 1.00 10.00 C ATOM 296 C LYS A 35 7.402 9.183 -2.967 1.00 10.00 C ATOM 297 O LYS A 35 6.813 8.275 -3.551 1.00 10.00 O ATOM 298 CB LYS A 35 9.389 8.506 -1.583 1.00 10.00 C ATOM 299 CG LYS A 35 10.131 8.734 -0.276 1.00 10.00 C ATOM 300 CD LYS A 35 11.148 7.636 -0.002 1.00 10.00 C ATOM 301 CE LYS A 35 12.002 7.967 1.211 1.00 10.00 C ATOM 302 NZ LYS A 35 12.867 6.830 1.612 1.00 10.00 N ATOM 0 H LYS A 35 7.515 7.076 -0.781 1.00 10.00 H new ATOM 0 HA LYS A 35 7.895 9.931 -1.020 1.00 10.00 H new ATOM 0 HB2 LYS A 35 9.412 7.443 -1.824 1.00 10.00 H new ATOM 0 HB3 LYS A 35 9.913 9.026 -2.385 1.00 10.00 H new ATOM 0 HG2 LYS A 35 10.638 9.698 -0.310 1.00 10.00 H new ATOM 0 HG3 LYS A 35 9.415 8.779 0.545 1.00 10.00 H new ATOM 0 HD2 LYS A 35 10.631 6.690 0.161 1.00 10.00 H new ATOM 0 HD3 LYS A 35 11.787 7.503 -0.875 1.00 10.00 H new ATOM 0 HE2 LYS A 35 12.624 8.835 0.990 1.00 10.00 H new ATOM 0 HE3 LYS A 35 11.356 8.242 2.045 1.00 10.00 H new ATOM 0 HZ1 LYS A 35 12.708 6.610 2.616 1.00 10.00 H new ATOM 0 HZ2 LYS A 35 12.635 5.997 1.035 1.00 10.00 H new ATOM 0 HZ3 LYS A 35 13.865 7.085 1.467 1.00 10.00 H new ATOM 316 N ARG A 36 7.626 10.366 -3.525 1.00 10.00 N ATOM 317 CA ARG A 36 7.139 10.684 -4.865 1.00 10.00 C ATOM 318 C ARG A 36 7.843 9.852 -5.937 1.00 10.00 C ATOM 319 O ARG A 36 7.320 9.679 -7.038 1.00 10.00 O ATOM 320 CB ARG A 36 7.298 12.179 -5.149 1.00 10.00 C ATOM 321 CG ARG A 36 6.470 13.056 -4.221 1.00 10.00 C ATOM 322 CD ARG A 36 6.492 14.514 -4.654 1.00 10.00 C ATOM 323 NE ARG A 36 5.804 14.718 -5.931 1.00 10.00 N ATOM 324 CZ ARG A 36 4.530 15.102 -6.047 1.00 10.00 C ATOM 325 NH1 ARG A 36 3.790 15.321 -4.965 1.00 10.00 N ATOM 326 NH2 ARG A 36 3.996 15.265 -7.254 1.00 10.00 N ATOM 0 H ARG A 36 8.141 11.121 -3.073 1.00 10.00 H new ATOM 0 HA ARG A 36 6.080 10.430 -4.901 1.00 10.00 H new ATOM 0 HB2 ARG A 36 8.349 12.451 -5.053 1.00 10.00 H new ATOM 0 HB3 ARG A 36 7.010 12.379 -6.181 1.00 10.00 H new ATOM 0 HG2 ARG A 36 5.441 12.697 -4.204 1.00 10.00 H new ATOM 0 HG3 ARG A 36 6.853 12.973 -3.204 1.00 10.00 H new ATOM 0 HD2 ARG A 36 6.020 15.127 -3.886 1.00 10.00 H new ATOM 0 HD3 ARG A 36 7.525 14.851 -4.741 1.00 10.00 H new ATOM 0 HE ARG A 36 6.333 14.556 -6.788 1.00 10.00 H new ATOM 0 HH11 ARG A 36 4.194 15.196 -4.037 1.00 10.00 H new ATOM 0 HH12 ARG A 36 2.818 15.614 -5.063 1.00 10.00 H new ATOM 0 HH21 ARG A 36 4.559 15.097 -8.088 1.00 10.00 H new ATOM 0 HH22 ARG A 36 3.023 15.558 -7.346 1.00 10.00 H new ATOM 340 N HIS A 37 9.016 9.325 -5.608 1.00 10.00 N ATOM 341 CA HIS A 37 9.772 8.502 -6.548 1.00 10.00 C ATOM 342 C HIS A 37 9.464 7.022 -6.341 1.00 10.00 C ATOM 343 O HIS A 37 10.021 6.159 -7.024 1.00 10.00 O ATOM 344 CB HIS A 37 11.283 8.747 -6.402 1.00 10.00 C ATOM 345 CG HIS A 37 11.834 8.474 -5.028 1.00 10.00 C ATOM 346 ND1 HIS A 37 11.892 7.200 -4.506 1.00 10.00 N ATOM 347 CD2 HIS A 37 12.346 9.340 -4.121 1.00 10.00 C ATOM 348 CE1 HIS A 37 12.434 7.321 -3.306 1.00 10.00 C ATOM 349 NE2 HIS A 37 12.724 8.596 -3.034 1.00 10.00 N ATOM 0 H HIS A 37 9.465 9.451 -4.701 1.00 10.00 H new ATOM 0 HA HIS A 37 9.469 8.787 -7.556 1.00 10.00 H new ATOM 0 HB2 HIS A 37 11.810 8.120 -7.121 1.00 10.00 H new ATOM 0 HB3 HIS A 37 11.497 9.783 -6.665 1.00 10.00 H new ATOM 0 HD2 HIS A 37 12.438 10.410 -4.233 1.00 10.00 H new ATOM 0 HE1 HIS A 37 12.618 6.496 -2.633 1.00 10.00 H new ATOM 0 HE2 HIS A 37 13.148 8.950 -2.177 1.00 10.00 H new ATOM 357 N THR A 38 8.581 6.738 -5.398 1.00 10.00 N ATOM 358 CA THR A 38 8.208 5.370 -5.083 1.00 10.00 C ATOM 359 C THR A 38 7.023 4.905 -5.934 1.00 10.00 C ATOM 360 O THR A 38 5.980 5.559 -5.969 1.00 10.00 O ATOM 361 CB THR A 38 7.871 5.243 -3.584 1.00 10.00 C ATOM 362 OG1 THR A 38 9.019 5.604 -2.802 1.00 10.00 O ATOM 363 CG2 THR A 38 7.440 3.831 -3.225 1.00 10.00 C ATOM 0 H THR A 38 8.106 7.443 -4.834 1.00 10.00 H new ATOM 0 HA THR A 38 9.058 4.728 -5.314 1.00 10.00 H new ATOM 0 HB THR A 38 7.041 5.916 -3.368 1.00 10.00 H new ATOM 0 HG1 THR A 38 8.804 5.525 -1.849 1.00 10.00 H new ATOM 0 HG21 THR A 38 7.211 3.780 -2.161 1.00 10.00 H new ATOM 0 HG22 THR A 38 6.554 3.564 -3.800 1.00 10.00 H new ATOM 0 HG23 THR A 38 8.246 3.135 -3.456 1.00 10.00 H new ATOM 371 N PRO A 39 7.188 3.778 -6.653 1.00 10.00 N ATOM 372 CA PRO A 39 6.134 3.209 -7.505 1.00 10.00 C ATOM 373 C PRO A 39 4.843 2.913 -6.741 1.00 10.00 C ATOM 374 O PRO A 39 4.872 2.477 -5.588 1.00 10.00 O ATOM 375 CB PRO A 39 6.754 1.906 -8.021 1.00 10.00 C ATOM 376 CG PRO A 39 8.223 2.106 -7.912 1.00 10.00 C ATOM 377 CD PRO A 39 8.430 2.984 -6.713 1.00 10.00 C ATOM 0 HA PRO A 39 5.840 3.904 -8.291 1.00 10.00 H new ATOM 0 HB2 PRO A 39 6.427 1.052 -7.428 1.00 10.00 H new ATOM 0 HB3 PRO A 39 6.458 1.710 -9.052 1.00 10.00 H new ATOM 0 HG2 PRO A 39 8.739 1.153 -7.792 1.00 10.00 H new ATOM 0 HG3 PRO A 39 8.622 2.574 -8.812 1.00 10.00 H new ATOM 0 HD2 PRO A 39 8.576 2.398 -5.806 1.00 10.00 H new ATOM 0 HD3 PRO A 39 9.308 3.619 -6.827 1.00 10.00 H new ATOM 385 N LEU A 40 3.712 3.133 -7.403 1.00 10.00 N ATOM 386 CA LEU A 40 2.401 2.908 -6.799 1.00 10.00 C ATOM 387 C LEU A 40 2.048 1.423 -6.774 1.00 10.00 C ATOM 388 O LEU A 40 1.015 1.030 -6.225 1.00 10.00 O ATOM 389 CB LEU A 40 1.327 3.680 -7.567 1.00 10.00 C ATOM 390 CG LEU A 40 1.490 5.200 -7.573 1.00 10.00 C ATOM 391 CD1 LEU A 40 0.558 5.830 -8.596 1.00 10.00 C ATOM 392 CD2 LEU A 40 1.224 5.766 -6.188 1.00 10.00 C ATOM 0 H LEU A 40 3.676 3.469 -8.365 1.00 10.00 H new ATOM 0 HA LEU A 40 2.442 3.267 -5.771 1.00 10.00 H new ATOM 0 HB2 LEU A 40 1.319 3.328 -8.599 1.00 10.00 H new ATOM 0 HB3 LEU A 40 0.354 3.438 -7.140 1.00 10.00 H new ATOM 0 HG LEU A 40 2.517 5.438 -7.851 1.00 10.00 H new ATOM 0 HD11 LEU A 40 0.687 6.912 -8.587 1.00 10.00 H new ATOM 0 HD12 LEU A 40 0.793 5.445 -9.588 1.00 10.00 H new ATOM 0 HD13 LEU A 40 -0.475 5.585 -8.347 1.00 10.00 H new ATOM 0 HD21 LEU A 40 1.344 6.849 -6.208 1.00 10.00 H new ATOM 0 HD22 LEU A 40 0.207 5.519 -5.883 1.00 10.00 H new ATOM 0 HD23 LEU A 40 1.930 5.336 -5.478 1.00 10.00 H new ATOM 404 N SER A 41 2.905 0.605 -7.369 1.00 10.00 N ATOM 405 CA SER A 41 2.690 -0.832 -7.417 1.00 10.00 C ATOM 406 C SER A 41 2.636 -1.413 -6.008 1.00 10.00 C ATOM 407 O SER A 41 1.692 -2.124 -5.656 1.00 10.00 O ATOM 408 CB SER A 41 3.809 -1.486 -8.224 1.00 10.00 C ATOM 409 OG SER A 41 5.001 -0.724 -8.121 1.00 10.00 O ATOM 0 H SER A 41 3.761 0.916 -7.828 1.00 10.00 H new ATOM 0 HA SER A 41 1.735 -1.034 -7.901 1.00 10.00 H new ATOM 0 HB2 SER A 41 3.984 -2.499 -7.861 1.00 10.00 H new ATOM 0 HB3 SER A 41 3.512 -1.569 -9.269 1.00 10.00 H new ATOM 0 HG SER A 41 5.711 -1.155 -8.641 1.00 10.00 H new ATOM 415 N LYS A 42 3.633 -1.074 -5.191 1.00 10.00 N ATOM 416 CA LYS A 42 3.691 -1.560 -3.815 1.00 10.00 C ATOM 417 C LYS A 42 2.518 -1.025 -3.005 1.00 10.00 C ATOM 418 O LYS A 42 2.058 -1.672 -2.074 1.00 10.00 O ATOM 419 CB LYS A 42 5.006 -1.173 -3.124 1.00 10.00 C ATOM 420 CG LYS A 42 5.939 -0.320 -3.970 1.00 10.00 C ATOM 421 CD LYS A 42 7.004 0.363 -3.123 1.00 10.00 C ATOM 422 CE LYS A 42 7.731 -0.621 -2.216 1.00 10.00 C ATOM 423 NZ LYS A 42 8.525 -1.619 -2.982 1.00 10.00 N ATOM 0 H LYS A 42 4.408 -0.467 -5.458 1.00 10.00 H new ATOM 0 HA LYS A 42 3.637 -2.648 -3.861 1.00 10.00 H new ATOM 0 HB2 LYS A 42 4.774 -0.633 -2.206 1.00 10.00 H new ATOM 0 HB3 LYS A 42 5.530 -2.083 -2.834 1.00 10.00 H new ATOM 0 HG2 LYS A 42 6.419 -0.944 -4.724 1.00 10.00 H new ATOM 0 HG3 LYS A 42 5.359 0.434 -4.503 1.00 10.00 H new ATOM 0 HD2 LYS A 42 7.725 0.855 -3.775 1.00 10.00 H new ATOM 0 HD3 LYS A 42 6.541 1.141 -2.516 1.00 10.00 H new ATOM 0 HE2 LYS A 42 8.392 -0.072 -1.545 1.00 10.00 H new ATOM 0 HE3 LYS A 42 7.004 -1.141 -1.592 1.00 10.00 H new ATOM 0 HZ1 LYS A 42 9.238 -2.048 -2.358 1.00 10.00 H new ATOM 0 HZ2 LYS A 42 7.893 -2.360 -3.347 1.00 10.00 H new ATOM 0 HZ3 LYS A 42 9.001 -1.147 -3.778 1.00 10.00 H new ATOM 437 N LEU A 43 2.036 0.158 -3.372 1.00 10.00 N ATOM 438 CA LEU A 43 0.903 0.781 -2.687 1.00 10.00 C ATOM 439 C LEU A 43 -0.343 -0.080 -2.837 1.00 10.00 C ATOM 440 O LEU A 43 -1.081 -0.304 -1.875 1.00 10.00 O ATOM 441 CB LEU A 43 0.660 2.185 -3.259 1.00 10.00 C ATOM 442 CG LEU A 43 -0.544 2.945 -2.693 1.00 10.00 C ATOM 443 CD1 LEU A 43 -0.197 4.413 -2.512 1.00 10.00 C ATOM 444 CD2 LEU A 43 -1.755 2.798 -3.606 1.00 10.00 C ATOM 0 H LEU A 43 2.413 0.709 -4.143 1.00 10.00 H new ATOM 0 HA LEU A 43 1.132 0.868 -1.625 1.00 10.00 H new ATOM 0 HB2 LEU A 43 1.555 2.784 -3.089 1.00 10.00 H new ATOM 0 HB3 LEU A 43 0.535 2.099 -4.338 1.00 10.00 H new ATOM 0 HG LEU A 43 -0.795 2.518 -1.722 1.00 10.00 H new ATOM 0 HD11 LEU A 43 -1.060 4.944 -2.109 1.00 10.00 H new ATOM 0 HD12 LEU A 43 0.641 4.506 -1.822 1.00 10.00 H new ATOM 0 HD13 LEU A 43 0.077 4.844 -3.475 1.00 10.00 H new ATOM 0 HD21 LEU A 43 -2.598 3.346 -3.184 1.00 10.00 H new ATOM 0 HD22 LEU A 43 -1.518 3.199 -4.592 1.00 10.00 H new ATOM 0 HD23 LEU A 43 -2.017 1.744 -3.697 1.00 10.00 H new ATOM 456 N MET A 44 -0.561 -0.569 -4.048 1.00 10.00 N ATOM 457 CA MET A 44 -1.711 -1.412 -4.333 1.00 10.00 C ATOM 458 C MET A 44 -1.567 -2.763 -3.637 1.00 10.00 C ATOM 459 O MET A 44 -2.536 -3.307 -3.108 1.00 10.00 O ATOM 460 CB MET A 44 -1.867 -1.605 -5.845 1.00 10.00 C ATOM 461 CG MET A 44 -2.178 -0.315 -6.591 1.00 10.00 C ATOM 462 SD MET A 44 -2.502 -0.575 -8.349 1.00 10.00 S ATOM 463 CE MET A 44 -0.880 -1.065 -8.929 1.00 10.00 C ATOM 0 H MET A 44 0.045 -0.396 -4.850 1.00 10.00 H new ATOM 0 HA MET A 44 -2.605 -0.920 -3.951 1.00 10.00 H new ATOM 0 HB2 MET A 44 -0.949 -2.035 -6.245 1.00 10.00 H new ATOM 0 HB3 MET A 44 -2.664 -2.325 -6.031 1.00 10.00 H new ATOM 0 HG2 MET A 44 -3.045 0.162 -6.134 1.00 10.00 H new ATOM 0 HG3 MET A 44 -1.340 0.373 -6.480 1.00 10.00 H new ATOM 0 HE1 MET A 44 -0.916 -1.243 -10.004 1.00 10.00 H new ATOM 0 HE2 MET A 44 -0.163 -0.272 -8.716 1.00 10.00 H new ATOM 0 HE3 MET A 44 -0.572 -1.979 -8.420 1.00 10.00 H new ATOM 473 N LYS A 45 -0.343 -3.280 -3.616 1.00 10.00 N ATOM 474 CA LYS A 45 -0.062 -4.568 -2.991 1.00 10.00 C ATOM 475 C LYS A 45 -0.170 -4.487 -1.471 1.00 10.00 C ATOM 476 O LYS A 45 -0.818 -5.324 -0.847 1.00 10.00 O ATOM 477 CB LYS A 45 1.332 -5.068 -3.388 1.00 10.00 C ATOM 478 CG LYS A 45 1.504 -5.271 -4.886 1.00 10.00 C ATOM 479 CD LYS A 45 2.685 -6.178 -5.198 1.00 10.00 C ATOM 480 CE LYS A 45 4.011 -5.553 -4.788 1.00 10.00 C ATOM 481 NZ LYS A 45 5.156 -6.464 -5.054 1.00 10.00 N ATOM 0 H LYS A 45 0.473 -2.825 -4.026 1.00 10.00 H new ATOM 0 HA LYS A 45 -0.811 -5.275 -3.349 1.00 10.00 H new ATOM 0 HB2 LYS A 45 2.078 -4.354 -3.039 1.00 10.00 H new ATOM 0 HB3 LYS A 45 1.530 -6.010 -2.877 1.00 10.00 H new ATOM 0 HG2 LYS A 45 0.594 -5.703 -5.302 1.00 10.00 H new ATOM 0 HG3 LYS A 45 1.649 -4.305 -5.370 1.00 10.00 H new ATOM 0 HD2 LYS A 45 2.558 -7.129 -4.681 1.00 10.00 H new ATOM 0 HD3 LYS A 45 2.702 -6.396 -6.266 1.00 10.00 H new ATOM 0 HE2 LYS A 45 4.156 -4.619 -5.331 1.00 10.00 H new ATOM 0 HE3 LYS A 45 3.983 -5.304 -3.727 1.00 10.00 H new ATOM 0 HZ1 LYS A 45 6.041 -6.003 -4.762 1.00 10.00 H new ATOM 0 HZ2 LYS A 45 5.030 -7.345 -4.516 1.00 10.00 H new ATOM 0 HZ3 LYS A 45 5.198 -6.681 -6.070 1.00 10.00 H new ATOM 495 N ALA A 46 0.453 -3.470 -0.885 1.00 10.00 N ATOM 496 CA ALA A 46 0.443 -3.285 0.565 1.00 10.00 C ATOM 497 C ALA A 46 -0.978 -3.223 1.114 1.00 10.00 C ATOM 498 O ALA A 46 -1.305 -3.901 2.087 1.00 10.00 O ATOM 499 CB ALA A 46 1.214 -2.029 0.942 1.00 10.00 C ATOM 0 H ALA A 46 0.975 -2.756 -1.394 1.00 10.00 H new ATOM 0 HA ALA A 46 0.932 -4.150 1.014 1.00 10.00 H new ATOM 0 HB1 ALA A 46 1.198 -1.904 2.025 1.00 10.00 H new ATOM 0 HB2 ALA A 46 2.246 -2.120 0.602 1.00 10.00 H new ATOM 0 HB3 ALA A 46 0.751 -1.162 0.470 1.00 10.00 H new ATOM 505 N TYR A 47 -1.824 -2.416 0.486 1.00 10.00 N ATOM 506 CA TYR A 47 -3.207 -2.286 0.922 1.00 10.00 C ATOM 507 C TYR A 47 -3.951 -3.605 0.729 1.00 10.00 C ATOM 508 O TYR A 47 -4.747 -4.015 1.576 1.00 10.00 O ATOM 509 CB TYR A 47 -3.907 -1.158 0.160 1.00 10.00 C ATOM 510 CG TYR A 47 -5.380 -1.031 0.484 1.00 10.00 C ATOM 511 CD1 TYR A 47 -6.343 -1.367 -0.454 1.00 10.00 C ATOM 512 CD2 TYR A 47 -5.802 -0.588 1.731 1.00 10.00 C ATOM 513 CE1 TYR A 47 -7.688 -1.265 -0.161 1.00 10.00 C ATOM 514 CE2 TYR A 47 -7.147 -0.482 2.032 1.00 10.00 C ATOM 515 CZ TYR A 47 -8.086 -0.823 1.082 1.00 10.00 C ATOM 516 OH TYR A 47 -9.429 -0.725 1.378 1.00 10.00 O ATOM 0 H TYR A 47 -1.578 -1.845 -0.322 1.00 10.00 H new ATOM 0 HA TYR A 47 -3.213 -2.037 1.983 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -3.411 -0.215 0.388 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -3.792 -1.328 -0.911 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -6.036 -1.714 -1.430 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -5.068 -0.322 2.477 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -8.426 -1.531 -0.903 1.00 10.00 H new ATOM 0 HE2 TYR A 47 -7.460 -0.134 3.005 1.00 10.00 H new ATOM 0 HH TYR A 47 -9.539 -0.399 2.296 1.00 10.00 H new ATOM 526 N CYS A 48 -3.663 -4.277 -0.375 1.00 10.00 N ATOM 527 CA CYS A 48 -4.294 -5.547 -0.687 1.00 10.00 C ATOM 528 C CYS A 48 -3.912 -6.604 0.346 1.00 10.00 C ATOM 529 O CYS A 48 -4.760 -7.369 0.817 1.00 10.00 O ATOM 530 CB CYS A 48 -3.882 -5.999 -2.087 1.00 10.00 C ATOM 531 SG CYS A 48 -4.973 -7.233 -2.814 1.00 10.00 S ATOM 0 H CYS A 48 -2.991 -3.960 -1.074 1.00 10.00 H new ATOM 0 HA CYS A 48 -5.376 -5.418 -0.659 1.00 10.00 H new ATOM 0 HB2 CYS A 48 -3.848 -5.129 -2.742 1.00 10.00 H new ATOM 0 HB3 CYS A 48 -2.871 -6.404 -2.043 1.00 10.00 H new ATOM 0 HG CYS A 48 -4.669 -8.409 -2.350 1.00 10.00 H new ATOM 537 N GLU A 49 -2.634 -6.631 0.707 1.00 10.00 N ATOM 538 CA GLU A 49 -2.125 -7.576 1.690 1.00 10.00 C ATOM 539 C GLU A 49 -2.693 -7.275 3.072 1.00 10.00 C ATOM 540 O GLU A 49 -2.817 -8.168 3.910 1.00 10.00 O ATOM 541 CB GLU A 49 -0.599 -7.532 1.724 1.00 10.00 C ATOM 542 CG GLU A 49 0.047 -8.109 0.477 1.00 10.00 C ATOM 543 CD GLU A 49 0.147 -9.616 0.520 1.00 10.00 C ATOM 544 OE1 GLU A 49 -0.870 -10.300 0.271 1.00 10.00 O ATOM 545 OE2 GLU A 49 1.250 -10.126 0.810 1.00 10.00 O ATOM 0 H GLU A 49 -1.926 -6.002 0.328 1.00 10.00 H new ATOM 0 HA GLU A 49 -2.442 -8.578 1.400 1.00 10.00 H new ATOM 0 HB2 GLU A 49 -0.275 -6.499 1.847 1.00 10.00 H new ATOM 0 HB3 GLU A 49 -0.246 -8.083 2.596 1.00 10.00 H new ATOM 0 HG2 GLU A 49 -0.531 -7.812 -0.398 1.00 10.00 H new ATOM 0 HG3 GLU A 49 1.044 -7.685 0.360 1.00 10.00 H new ATOM 552 N ARG A 50 -3.036 -6.012 3.306 1.00 10.00 N ATOM 553 CA ARG A 50 -3.616 -5.607 4.580 1.00 10.00 C ATOM 554 C ARG A 50 -5.004 -6.214 4.727 1.00 10.00 C ATOM 555 O ARG A 50 -5.393 -6.651 5.808 1.00 10.00 O ATOM 556 CB ARG A 50 -3.694 -4.083 4.681 1.00 10.00 C ATOM 557 CG ARG A 50 -2.376 -3.423 5.056 1.00 10.00 C ATOM 558 CD ARG A 50 -1.993 -3.710 6.500 1.00 10.00 C ATOM 559 NE ARG A 50 -1.012 -2.747 7.005 1.00 10.00 N ATOM 560 CZ ARG A 50 -1.336 -1.633 7.665 1.00 10.00 C ATOM 561 NH1 ARG A 50 -2.613 -1.338 7.896 1.00 10.00 N ATOM 562 NH2 ARG A 50 -0.387 -0.803 8.081 1.00 10.00 N ATOM 0 H ARG A 50 -2.923 -5.255 2.632 1.00 10.00 H new ATOM 0 HA ARG A 50 -2.977 -5.969 5.385 1.00 10.00 H new ATOM 0 HB2 ARG A 50 -4.031 -3.682 3.725 1.00 10.00 H new ATOM 0 HB3 ARG A 50 -4.447 -3.816 5.422 1.00 10.00 H new ATOM 0 HG2 ARG A 50 -1.588 -3.781 4.393 1.00 10.00 H new ATOM 0 HG3 ARG A 50 -2.453 -2.346 4.907 1.00 10.00 H new ATOM 0 HD2 ARG A 50 -2.885 -3.681 7.125 1.00 10.00 H new ATOM 0 HD3 ARG A 50 -1.584 -4.718 6.574 1.00 10.00 H new ATOM 0 HE ARG A 50 -0.023 -2.939 6.843 1.00 10.00 H new ATOM 0 HH11 ARG A 50 -3.348 -1.964 7.568 1.00 10.00 H new ATOM 0 HH12 ARG A 50 -2.856 -0.486 8.401 1.00 10.00 H new ATOM 0 HH21 ARG A 50 0.593 -1.016 7.897 1.00 10.00 H new ATOM 0 HH22 ARG A 50 -0.638 0.047 8.585 1.00 10.00 H new ATOM 576 N GLN A 51 -5.736 -6.254 3.623 1.00 10.00 N ATOM 577 CA GLN A 51 -7.080 -6.819 3.614 1.00 10.00 C ATOM 578 C GLN A 51 -7.008 -8.338 3.526 1.00 10.00 C ATOM 579 O GLN A 51 -7.912 -9.045 3.969 1.00 10.00 O ATOM 580 CB GLN A 51 -7.888 -6.265 2.436 1.00 10.00 C ATOM 581 CG GLN A 51 -7.957 -4.744 2.395 1.00 10.00 C ATOM 582 CD GLN A 51 -8.567 -4.145 3.650 1.00 10.00 C ATOM 583 OE1 GLN A 51 -7.862 -3.826 4.610 1.00 10.00 O ATOM 584 NE2 GLN A 51 -9.880 -3.985 3.651 1.00 10.00 N ATOM 0 H GLN A 51 -5.422 -5.901 2.719 1.00 10.00 H new ATOM 0 HA GLN A 51 -7.579 -6.539 4.541 1.00 10.00 H new ATOM 0 HB2 GLN A 51 -7.448 -6.624 1.506 1.00 10.00 H new ATOM 0 HB3 GLN A 51 -8.901 -6.664 2.484 1.00 10.00 H new ATOM 0 HG2 GLN A 51 -6.952 -4.344 2.259 1.00 10.00 H new ATOM 0 HG3 GLN A 51 -8.543 -4.435 1.529 1.00 10.00 H new ATOM 0 HE21 GLN A 51 -10.428 -4.262 2.836 1.00 10.00 H new ATOM 0 HE22 GLN A 51 -10.344 -3.585 4.466 1.00 10.00 H new ATOM 593 N GLY A 52 -5.920 -8.829 2.947 1.00 10.00 N ATOM 594 CA GLY A 52 -5.728 -10.257 2.803 1.00 10.00 C ATOM 595 C GLY A 52 -6.402 -10.796 1.558 1.00 10.00 C ATOM 596 O GLY A 52 -6.828 -11.950 1.522 1.00 10.00 O ATOM 0 H GLY A 52 -5.162 -8.258 2.572 1.00 10.00 H new ATOM 0 HA2 GLY A 52 -4.661 -10.477 2.762 1.00 10.00 H new ATOM 0 HA3 GLY A 52 -6.126 -10.767 3.680 1.00 10.00 H new ATOM 600 N LEU A 53 -6.497 -9.961 0.536 1.00 10.00 N ATOM 601 CA LEU A 53 -7.133 -10.357 -0.711 1.00 10.00 C ATOM 602 C LEU A 53 -6.118 -10.394 -1.847 1.00 10.00 C ATOM 603 O LEU A 53 -4.973 -9.973 -1.678 1.00 10.00 O ATOM 604 CB LEU A 53 -8.269 -9.388 -1.056 1.00 10.00 C ATOM 605 CG LEU A 53 -9.353 -9.239 0.015 1.00 10.00 C ATOM 606 CD1 LEU A 53 -10.388 -8.214 -0.421 1.00 10.00 C ATOM 607 CD2 LEU A 53 -10.015 -10.579 0.294 1.00 10.00 C ATOM 0 H LEU A 53 -6.142 -9.005 0.545 1.00 10.00 H new ATOM 0 HA LEU A 53 -7.545 -11.358 -0.582 1.00 10.00 H new ATOM 0 HB2 LEU A 53 -7.839 -8.406 -1.253 1.00 10.00 H new ATOM 0 HB3 LEU A 53 -8.739 -9.721 -1.981 1.00 10.00 H new ATOM 0 HG LEU A 53 -8.885 -8.890 0.935 1.00 10.00 H new ATOM 0 HD11 LEU A 53 -11.153 -8.118 0.350 1.00 10.00 H new ATOM 0 HD12 LEU A 53 -9.903 -7.250 -0.573 1.00 10.00 H new ATOM 0 HD13 LEU A 53 -10.851 -8.538 -1.353 1.00 10.00 H new ATOM 0 HD21 LEU A 53 -10.783 -10.454 1.058 1.00 10.00 H new ATOM 0 HD22 LEU A 53 -10.472 -10.957 -0.621 1.00 10.00 H new ATOM 0 HD23 LEU A 53 -9.266 -11.289 0.646 1.00 10.00 H new ATOM 619 N SER A 54 -6.535 -10.910 -2.992 1.00 10.00 N ATOM 620 CA SER A 54 -5.671 -10.986 -4.160 1.00 10.00 C ATOM 621 C SER A 54 -5.743 -9.678 -4.942 1.00 10.00 C ATOM 622 O SER A 54 -6.809 -9.064 -5.038 1.00 10.00 O ATOM 623 CB SER A 54 -6.092 -12.162 -5.047 1.00 10.00 C ATOM 624 OG SER A 54 -5.202 -12.341 -6.141 1.00 10.00 O ATOM 0 H SER A 54 -7.472 -11.285 -3.138 1.00 10.00 H new ATOM 0 HA SER A 54 -4.643 -11.145 -3.836 1.00 10.00 H new ATOM 0 HB2 SER A 54 -6.124 -13.074 -4.451 1.00 10.00 H new ATOM 0 HB3 SER A 54 -7.101 -11.991 -5.423 1.00 10.00 H new ATOM 0 HG SER A 54 -5.500 -13.100 -6.684 1.00 10.00 H new ATOM 630 N MET A 55 -4.617 -9.255 -5.502 1.00 10.00 N ATOM 631 CA MET A 55 -4.564 -8.015 -6.270 1.00 10.00 C ATOM 632 C MET A 55 -5.440 -8.111 -7.521 1.00 10.00 C ATOM 633 O MET A 55 -5.846 -7.098 -8.091 1.00 10.00 O ATOM 634 CB MET A 55 -3.115 -7.683 -6.648 1.00 10.00 C ATOM 635 CG MET A 55 -2.958 -6.305 -7.275 1.00 10.00 C ATOM 636 SD MET A 55 -1.234 -5.797 -7.451 1.00 10.00 S ATOM 637 CE MET A 55 -0.614 -7.061 -8.558 1.00 10.00 C ATOM 0 H MET A 55 -3.728 -9.751 -5.440 1.00 10.00 H new ATOM 0 HA MET A 55 -4.953 -7.209 -5.647 1.00 10.00 H new ATOM 0 HB2 MET A 55 -2.491 -7.742 -5.756 1.00 10.00 H new ATOM 0 HB3 MET A 55 -2.747 -8.436 -7.345 1.00 10.00 H new ATOM 0 HG2 MET A 55 -3.433 -6.303 -8.256 1.00 10.00 H new ATOM 0 HG3 MET A 55 -3.486 -5.572 -6.664 1.00 10.00 H new ATOM 0 HE1 MET A 55 0.376 -6.778 -8.915 1.00 10.00 H new ATOM 0 HE2 MET A 55 -0.551 -8.011 -8.027 1.00 10.00 H new ATOM 0 HE3 MET A 55 -1.290 -7.165 -9.407 1.00 10.00 H new ATOM 647 N ARG A 56 -5.751 -9.334 -7.933 1.00 10.00 N ATOM 648 CA ARG A 56 -6.588 -9.553 -9.104 1.00 10.00 C ATOM 649 C ARG A 56 -8.067 -9.580 -8.710 1.00 10.00 C ATOM 650 O ARG A 56 -8.952 -9.651 -9.566 1.00 10.00 O ATOM 651 CB ARG A 56 -6.201 -10.860 -9.806 1.00 10.00 C ATOM 652 CG ARG A 56 -6.755 -10.977 -11.219 1.00 10.00 C ATOM 653 CD ARG A 56 -6.489 -12.348 -11.816 1.00 10.00 C ATOM 654 NE ARG A 56 -7.138 -12.522 -13.117 1.00 10.00 N ATOM 655 CZ ARG A 56 -6.496 -12.513 -14.285 1.00 10.00 C ATOM 656 NH1 ARG A 56 -5.182 -12.329 -14.327 1.00 10.00 N ATOM 657 NH2 ARG A 56 -7.168 -12.715 -15.412 1.00 10.00 N ATOM 0 H ARG A 56 -5.436 -10.188 -7.473 1.00 10.00 H new ATOM 0 HA ARG A 56 -6.429 -8.727 -9.797 1.00 10.00 H new ATOM 0 HB2 ARG A 56 -5.114 -10.935 -9.843 1.00 10.00 H new ATOM 0 HB3 ARG A 56 -6.559 -11.702 -9.213 1.00 10.00 H new ATOM 0 HG2 ARG A 56 -7.828 -10.788 -11.206 1.00 10.00 H new ATOM 0 HG3 ARG A 56 -6.305 -10.212 -11.851 1.00 10.00 H new ATOM 0 HD2 ARG A 56 -5.414 -12.492 -11.926 1.00 10.00 H new ATOM 0 HD3 ARG A 56 -6.844 -13.116 -11.129 1.00 10.00 H new ATOM 0 HE ARG A 56 -8.149 -12.659 -13.130 1.00 10.00 H new ATOM 0 HH11 ARG A 56 -4.658 -12.194 -13.462 1.00 10.00 H new ATOM 0 HH12 ARG A 56 -4.696 -12.323 -15.224 1.00 10.00 H new ATOM 0 HH21 ARG A 56 -8.175 -12.877 -15.384 1.00 10.00 H new ATOM 0 HH22 ARG A 56 -6.678 -12.708 -16.306 1.00 10.00 H new ATOM 671 N GLN A 57 -8.333 -9.496 -7.417 1.00 10.00 N ATOM 672 CA GLN A 57 -9.701 -9.519 -6.917 1.00 10.00 C ATOM 673 C GLN A 57 -10.274 -8.108 -6.853 1.00 10.00 C ATOM 674 O GLN A 57 -11.488 -7.917 -6.878 1.00 10.00 O ATOM 675 CB GLN A 57 -9.749 -10.168 -5.532 1.00 10.00 C ATOM 676 CG GLN A 57 -11.150 -10.533 -5.071 1.00 10.00 C ATOM 677 CD GLN A 57 -11.168 -11.118 -3.673 1.00 10.00 C ATOM 678 OE1 GLN A 57 -10.193 -11.721 -3.229 1.00 10.00 O ATOM 679 NE2 GLN A 57 -12.278 -10.949 -2.972 1.00 10.00 N ATOM 0 H GLN A 57 -7.620 -9.411 -6.692 1.00 10.00 H new ATOM 0 HA GLN A 57 -10.307 -10.109 -7.605 1.00 10.00 H new ATOM 0 HB2 GLN A 57 -9.134 -11.068 -5.542 1.00 10.00 H new ATOM 0 HB3 GLN A 57 -9.304 -9.487 -4.807 1.00 10.00 H new ATOM 0 HG2 GLN A 57 -11.781 -9.644 -5.097 1.00 10.00 H new ATOM 0 HG3 GLN A 57 -11.582 -11.251 -5.767 1.00 10.00 H new ATOM 0 HE21 GLN A 57 -13.065 -10.442 -3.377 1.00 10.00 H new ATOM 0 HE22 GLN A 57 -12.346 -11.326 -2.027 1.00 10.00 H new ATOM 688 N ILE A 58 -9.396 -7.118 -6.784 1.00 10.00 N ATOM 689 CA ILE A 58 -9.821 -5.729 -6.710 1.00 10.00 C ATOM 690 C ILE A 58 -9.223 -4.908 -7.845 1.00 10.00 C ATOM 691 O ILE A 58 -8.310 -5.359 -8.538 1.00 10.00 O ATOM 692 CB ILE A 58 -9.434 -5.087 -5.359 1.00 10.00 C ATOM 693 CG1 ILE A 58 -7.992 -5.445 -4.986 1.00 10.00 C ATOM 694 CG2 ILE A 58 -10.398 -5.528 -4.267 1.00 10.00 C ATOM 695 CD1 ILE A 58 -7.540 -4.864 -3.660 1.00 10.00 C ATOM 0 H ILE A 58 -8.385 -7.251 -6.778 1.00 10.00 H new ATOM 0 HA ILE A 58 -10.907 -5.728 -6.801 1.00 10.00 H new ATOM 0 HB ILE A 58 -9.500 -4.004 -5.459 1.00 10.00 H new ATOM 0 HG12 ILE A 58 -7.895 -6.530 -4.948 1.00 10.00 H new ATOM 0 HG13 ILE A 58 -7.325 -5.092 -5.773 1.00 10.00 H new ATOM 0 HG21 ILE A 58 -10.112 -5.067 -3.321 1.00 10.00 H new ATOM 0 HG22 ILE A 58 -11.410 -5.220 -4.529 1.00 10.00 H new ATOM 0 HG23 ILE A 58 -10.363 -6.613 -4.167 1.00 10.00 H new ATOM 0 HD11 ILE A 58 -6.510 -5.161 -3.465 1.00 10.00 H new ATOM 0 HD12 ILE A 58 -7.603 -3.777 -3.699 1.00 10.00 H new ATOM 0 HD13 ILE A 58 -8.182 -5.236 -2.862 1.00 10.00 H new ATOM 707 N ARG A 59 -9.765 -3.718 -8.051 1.00 10.00 N ATOM 708 CA ARG A 59 -9.287 -2.814 -9.089 1.00 10.00 C ATOM 709 C ARG A 59 -9.081 -1.429 -8.498 1.00 10.00 C ATOM 710 O ARG A 59 -9.905 -0.958 -7.712 1.00 10.00 O ATOM 711 CB ARG A 59 -10.273 -2.747 -10.260 1.00 10.00 C ATOM 712 CG ARG A 59 -10.399 -4.045 -11.042 1.00 10.00 C ATOM 713 CD ARG A 59 -9.063 -4.493 -11.622 1.00 10.00 C ATOM 714 NE ARG A 59 -9.195 -5.709 -12.425 1.00 10.00 N ATOM 715 CZ ARG A 59 -9.201 -6.945 -11.921 1.00 10.00 C ATOM 716 NH1 ARG A 59 -9.074 -7.133 -10.614 1.00 10.00 N ATOM 717 NH2 ARG A 59 -9.329 -7.992 -12.727 1.00 10.00 N ATOM 0 H ARG A 59 -10.546 -3.351 -7.507 1.00 10.00 H new ATOM 0 HA ARG A 59 -8.339 -3.193 -9.471 1.00 10.00 H new ATOM 0 HB2 ARG A 59 -11.255 -2.469 -9.878 1.00 10.00 H new ATOM 0 HB3 ARG A 59 -9.959 -1.955 -10.940 1.00 10.00 H new ATOM 0 HG2 ARG A 59 -10.791 -4.825 -10.389 1.00 10.00 H new ATOM 0 HG3 ARG A 59 -11.119 -3.913 -11.850 1.00 10.00 H new ATOM 0 HD2 ARG A 59 -8.649 -3.695 -12.238 1.00 10.00 H new ATOM 0 HD3 ARG A 59 -8.356 -4.669 -10.811 1.00 10.00 H new ATOM 0 HE ARG A 59 -9.288 -5.605 -13.435 1.00 10.00 H new ATOM 0 HH11 ARG A 59 -8.971 -6.332 -9.991 1.00 10.00 H new ATOM 0 HH12 ARG A 59 -9.079 -8.079 -10.232 1.00 10.00 H new ATOM 0 HH21 ARG A 59 -9.423 -7.853 -13.733 1.00 10.00 H new ATOM 0 HH22 ARG A 59 -9.333 -8.936 -12.340 1.00 10.00 H new ATOM 731 N PHE A 60 -7.986 -0.785 -8.863 1.00 10.00 N ATOM 732 CA PHE A 60 -7.678 0.540 -8.346 1.00 10.00 C ATOM 733 C PHE A 60 -7.907 1.603 -9.413 1.00 10.00 C ATOM 734 O PHE A 60 -7.440 1.473 -10.547 1.00 10.00 O ATOM 735 CB PHE A 60 -6.234 0.588 -7.849 1.00 10.00 C ATOM 736 CG PHE A 60 -5.917 -0.454 -6.811 1.00 10.00 C ATOM 737 CD1 PHE A 60 -5.605 -1.753 -7.183 1.00 10.00 C ATOM 738 CD2 PHE A 60 -5.942 -0.136 -5.465 1.00 10.00 C ATOM 739 CE1 PHE A 60 -5.316 -2.710 -6.233 1.00 10.00 C ATOM 740 CE2 PHE A 60 -5.652 -1.090 -4.507 1.00 10.00 C ATOM 741 CZ PHE A 60 -5.343 -2.379 -4.893 1.00 10.00 C ATOM 0 H PHE A 60 -7.295 -1.156 -9.515 1.00 10.00 H new ATOM 0 HA PHE A 60 -8.346 0.748 -7.510 1.00 10.00 H new ATOM 0 HB2 PHE A 60 -5.562 0.459 -8.698 1.00 10.00 H new ATOM 0 HB3 PHE A 60 -6.035 1.575 -7.433 1.00 10.00 H new ATOM 0 HD1 PHE A 60 -5.588 -2.018 -8.230 1.00 10.00 H new ATOM 0 HD2 PHE A 60 -6.191 0.869 -5.159 1.00 10.00 H new ATOM 0 HE1 PHE A 60 -5.069 -3.717 -6.537 1.00 10.00 H new ATOM 0 HE2 PHE A 60 -5.667 -0.827 -3.460 1.00 10.00 H new ATOM 0 HZ PHE A 60 -5.122 -3.128 -4.147 1.00 10.00 H new ATOM 751 N ARG A 61 -8.626 2.655 -9.045 1.00 10.00 N ATOM 752 CA ARG A 61 -8.926 3.740 -9.965 1.00 10.00 C ATOM 753 C ARG A 61 -8.474 5.079 -9.389 1.00 10.00 C ATOM 754 O ARG A 61 -8.576 5.316 -8.186 1.00 10.00 O ATOM 755 CB ARG A 61 -10.428 3.791 -10.267 1.00 10.00 C ATOM 756 CG ARG A 61 -10.956 2.555 -10.982 1.00 10.00 C ATOM 757 CD ARG A 61 -12.413 2.722 -11.382 1.00 10.00 C ATOM 758 NE ARG A 61 -12.962 1.503 -11.973 1.00 10.00 N ATOM 759 CZ ARG A 61 -14.206 1.398 -12.446 1.00 10.00 C ATOM 760 NH1 ARG A 61 -15.026 2.438 -12.407 1.00 10.00 N ATOM 761 NH2 ARG A 61 -14.631 0.250 -12.948 1.00 10.00 N ATOM 0 H ARG A 61 -9.014 2.779 -8.110 1.00 10.00 H new ATOM 0 HA ARG A 61 -8.382 3.553 -10.891 1.00 10.00 H new ATOM 0 HB2 ARG A 61 -10.973 3.918 -9.331 1.00 10.00 H new ATOM 0 HB3 ARG A 61 -10.636 4.669 -10.878 1.00 10.00 H new ATOM 0 HG2 ARG A 61 -10.354 2.362 -11.870 1.00 10.00 H new ATOM 0 HG3 ARG A 61 -10.853 1.686 -10.332 1.00 10.00 H new ATOM 0 HD2 ARG A 61 -13.000 2.996 -10.506 1.00 10.00 H new ATOM 0 HD3 ARG A 61 -12.502 3.542 -12.095 1.00 10.00 H new ATOM 0 HE ARG A 61 -12.358 0.683 -12.027 1.00 10.00 H new ATOM 0 HH11 ARG A 61 -14.708 3.324 -12.014 1.00 10.00 H new ATOM 0 HH12 ARG A 61 -15.976 2.353 -12.770 1.00 10.00 H new ATOM 0 HH21 ARG A 61 -14.008 -0.557 -12.974 1.00 10.00 H new ATOM 0 HH22 ARG A 61 -15.582 0.172 -13.309 1.00 10.00 H new ATOM 775 N PHE A 62 -7.965 5.937 -10.259 1.00 10.00 N ATOM 776 CA PHE A 62 -7.505 7.259 -9.871 1.00 10.00 C ATOM 777 C PHE A 62 -7.884 8.258 -10.953 1.00 10.00 C ATOM 778 O PHE A 62 -7.605 8.032 -12.135 1.00 10.00 O ATOM 779 CB PHE A 62 -5.991 7.267 -9.658 1.00 10.00 C ATOM 780 CG PHE A 62 -5.485 8.507 -8.977 1.00 10.00 C ATOM 781 CD1 PHE A 62 -5.518 8.613 -7.596 1.00 10.00 C ATOM 782 CD2 PHE A 62 -4.983 9.565 -9.717 1.00 10.00 C ATOM 783 CE1 PHE A 62 -5.053 9.750 -6.967 1.00 10.00 C ATOM 784 CE2 PHE A 62 -4.517 10.703 -9.093 1.00 10.00 C ATOM 785 CZ PHE A 62 -4.556 10.798 -7.716 1.00 10.00 C ATOM 0 H PHE A 62 -7.860 5.736 -11.253 1.00 10.00 H new ATOM 0 HA PHE A 62 -7.981 7.537 -8.930 1.00 10.00 H new ATOM 0 HB2 PHE A 62 -5.712 6.397 -9.064 1.00 10.00 H new ATOM 0 HB3 PHE A 62 -5.496 7.166 -10.624 1.00 10.00 H new ATOM 0 HD1 PHE A 62 -5.911 7.798 -7.006 1.00 10.00 H new ATOM 0 HD2 PHE A 62 -4.956 9.498 -10.795 1.00 10.00 H new ATOM 0 HE1 PHE A 62 -5.078 9.820 -5.890 1.00 10.00 H new ATOM 0 HE2 PHE A 62 -4.122 11.519 -9.680 1.00 10.00 H new ATOM 0 HZ PHE A 62 -4.198 11.691 -7.225 1.00 10.00 H new ATOM 795 N ASP A 63 -8.537 9.343 -10.545 1.00 10.00 N ATOM 796 CA ASP A 63 -8.979 10.390 -11.469 1.00 10.00 C ATOM 797 C ASP A 63 -9.974 9.823 -12.478 1.00 10.00 C ATOM 798 O ASP A 63 -10.074 10.287 -13.611 1.00 10.00 O ATOM 799 CB ASP A 63 -7.784 11.027 -12.189 1.00 10.00 C ATOM 800 CG ASP A 63 -8.087 12.422 -12.702 1.00 10.00 C ATOM 801 OD1 ASP A 63 -8.263 13.337 -11.872 1.00 10.00 O ATOM 802 OD2 ASP A 63 -8.135 12.613 -13.938 1.00 10.00 O ATOM 0 H ASP A 63 -8.775 9.523 -9.570 1.00 10.00 H new ATOM 0 HA ASP A 63 -9.476 11.168 -10.890 1.00 10.00 H new ATOM 0 HB2 ASP A 63 -6.935 11.071 -11.507 1.00 10.00 H new ATOM 0 HB3 ASP A 63 -7.488 10.393 -13.025 1.00 10.00 H new ATOM 807 N GLY A 64 -10.702 8.798 -12.053 1.00 10.00 N ATOM 808 CA GLY A 64 -11.691 8.171 -12.909 1.00 10.00 C ATOM 809 C GLY A 64 -11.092 7.195 -13.906 1.00 10.00 C ATOM 810 O GLY A 64 -11.802 6.654 -14.751 1.00 10.00 O ATOM 0 H GLY A 64 -10.624 8.387 -11.123 1.00 10.00 H new ATOM 0 HA2 GLY A 64 -12.417 7.646 -12.289 1.00 10.00 H new ATOM 0 HA3 GLY A 64 -12.235 8.945 -13.451 1.00 10.00 H new ATOM 814 N GLN A 65 -9.792 6.957 -13.811 1.00 10.00 N ATOM 815 CA GLN A 65 -9.119 6.043 -14.726 1.00 10.00 C ATOM 816 C GLN A 65 -8.391 4.941 -13.960 1.00 10.00 C ATOM 817 O GLN A 65 -7.958 5.152 -12.829 1.00 10.00 O ATOM 818 CB GLN A 65 -8.137 6.817 -15.613 1.00 10.00 C ATOM 819 CG GLN A 65 -8.821 7.684 -16.659 1.00 10.00 C ATOM 820 CD GLN A 65 -9.603 6.863 -17.666 1.00 10.00 C ATOM 821 OE1 GLN A 65 -9.216 5.745 -18.010 1.00 10.00 O ATOM 822 NE2 GLN A 65 -10.708 7.406 -18.147 1.00 10.00 N ATOM 0 H GLN A 65 -9.183 7.382 -13.112 1.00 10.00 H new ATOM 0 HA GLN A 65 -9.872 5.572 -15.358 1.00 10.00 H new ATOM 0 HB2 GLN A 65 -7.510 7.448 -14.983 1.00 10.00 H new ATOM 0 HB3 GLN A 65 -7.476 6.109 -16.114 1.00 10.00 H new ATOM 0 HG2 GLN A 65 -9.494 8.384 -16.164 1.00 10.00 H new ATOM 0 HG3 GLN A 65 -8.071 8.278 -17.182 1.00 10.00 H new ATOM 0 HE21 GLN A 65 -10.996 8.334 -17.838 1.00 10.00 H new ATOM 0 HE22 GLN A 65 -11.272 6.897 -18.827 1.00 10.00 H new ATOM 831 N PRO A 66 -8.265 3.740 -14.554 1.00 10.00 N ATOM 832 CA PRO A 66 -7.583 2.610 -13.915 1.00 10.00 C ATOM 833 C PRO A 66 -6.082 2.858 -13.780 1.00 10.00 C ATOM 834 O PRO A 66 -5.424 3.283 -14.735 1.00 10.00 O ATOM 835 CB PRO A 66 -7.844 1.429 -14.865 1.00 10.00 C ATOM 836 CG PRO A 66 -8.907 1.891 -15.801 1.00 10.00 C ATOM 837 CD PRO A 66 -8.766 3.380 -15.888 1.00 10.00 C ATOM 0 HA PRO A 66 -7.948 2.437 -12.903 1.00 10.00 H new ATOM 0 HB2 PRO A 66 -6.938 1.154 -15.406 1.00 10.00 H new ATOM 0 HB3 PRO A 66 -8.166 0.546 -14.313 1.00 10.00 H new ATOM 0 HG2 PRO A 66 -8.789 1.431 -16.782 1.00 10.00 H new ATOM 0 HG3 PRO A 66 -9.896 1.614 -15.435 1.00 10.00 H new ATOM 0 HD2 PRO A 66 -8.071 3.675 -16.674 1.00 10.00 H new ATOM 0 HD3 PRO A 66 -9.718 3.864 -16.106 1.00 10.00 H new ATOM 845 N ILE A 67 -5.547 2.595 -12.597 1.00 10.00 N ATOM 846 CA ILE A 67 -4.126 2.798 -12.342 1.00 10.00 C ATOM 847 C ILE A 67 -3.318 1.621 -12.872 1.00 10.00 C ATOM 848 O ILE A 67 -3.663 0.462 -12.627 1.00 10.00 O ATOM 849 CB ILE A 67 -3.835 2.964 -10.836 1.00 10.00 C ATOM 850 CG1 ILE A 67 -4.869 3.885 -10.186 1.00 10.00 C ATOM 851 CG2 ILE A 67 -2.430 3.511 -10.625 1.00 10.00 C ATOM 852 CD1 ILE A 67 -4.749 3.961 -8.679 1.00 10.00 C ATOM 0 H ILE A 67 -6.074 2.241 -11.798 1.00 10.00 H new ATOM 0 HA ILE A 67 -3.835 3.713 -12.858 1.00 10.00 H new ATOM 0 HB ILE A 67 -3.902 1.984 -10.363 1.00 10.00 H new ATOM 0 HG12 ILE A 67 -4.763 4.887 -10.602 1.00 10.00 H new ATOM 0 HG13 ILE A 67 -5.868 3.536 -10.446 1.00 10.00 H new ATOM 0 HG21 ILE A 67 -2.240 3.623 -9.558 1.00 10.00 H new ATOM 0 HG22 ILE A 67 -1.703 2.821 -11.053 1.00 10.00 H new ATOM 0 HG23 ILE A 67 -2.340 4.482 -11.113 1.00 10.00 H new ATOM 0 HD11 ILE A 67 -5.513 4.632 -8.287 1.00 10.00 H new ATOM 0 HD12 ILE A 67 -4.885 2.967 -8.253 1.00 10.00 H new ATOM 0 HD13 ILE A 67 -3.762 4.339 -8.411 1.00 10.00 H new ATOM 864 N ASN A 68 -2.259 1.914 -13.611 1.00 10.00 N ATOM 865 CA ASN A 68 -1.402 0.872 -14.162 1.00 10.00 C ATOM 866 C ASN A 68 -0.440 0.366 -13.094 1.00 10.00 C ATOM 867 O ASN A 68 -0.309 0.972 -12.030 1.00 10.00 O ATOM 868 CB ASN A 68 -0.620 1.393 -15.371 1.00 10.00 C ATOM 869 CG ASN A 68 -1.491 1.574 -16.598 1.00 10.00 C ATOM 870 OD1 ASN A 68 -2.443 0.824 -16.821 1.00 10.00 O ATOM 871 ND2 ASN A 68 -1.177 2.574 -17.402 1.00 10.00 N ATOM 0 H ASN A 68 -1.971 2.864 -13.844 1.00 10.00 H new ATOM 0 HA ASN A 68 -2.034 0.047 -14.492 1.00 10.00 H new ATOM 0 HB2 ASN A 68 -0.157 2.346 -15.116 1.00 10.00 H new ATOM 0 HB3 ASN A 68 0.187 0.698 -15.603 1.00 10.00 H new ATOM 0 HD21 ASN A 68 -1.730 2.747 -18.241 1.00 10.00 H new ATOM 0 HD22 ASN A 68 -0.381 3.173 -17.184 1.00 10.00 H new ATOM 878 N GLU A 69 0.248 -0.730 -13.381 1.00 10.00 N ATOM 879 CA GLU A 69 1.183 -1.315 -12.425 1.00 10.00 C ATOM 880 C GLU A 69 2.613 -0.850 -12.687 1.00 10.00 C ATOM 881 O GLU A 69 3.576 -1.532 -12.331 1.00 10.00 O ATOM 882 CB GLU A 69 1.097 -2.843 -12.476 1.00 10.00 C ATOM 883 CG GLU A 69 -0.105 -3.401 -11.732 1.00 10.00 C ATOM 884 CD GLU A 69 -0.441 -4.823 -12.130 1.00 10.00 C ATOM 885 OE1 GLU A 69 0.439 -5.700 -12.038 1.00 10.00 O ATOM 886 OE2 GLU A 69 -1.601 -5.071 -12.525 1.00 10.00 O ATOM 0 H GLU A 69 0.178 -1.233 -14.266 1.00 10.00 H new ATOM 0 HA GLU A 69 0.904 -0.976 -11.427 1.00 10.00 H new ATOM 0 HB2 GLU A 69 1.052 -3.163 -13.517 1.00 10.00 H new ATOM 0 HB3 GLU A 69 2.007 -3.266 -12.051 1.00 10.00 H new ATOM 0 HG2 GLU A 69 0.090 -3.366 -10.660 1.00 10.00 H new ATOM 0 HG3 GLU A 69 -0.969 -2.764 -11.919 1.00 10.00 H new ATOM 893 N THR A 70 2.743 0.317 -13.303 1.00 10.00 N ATOM 894 CA THR A 70 4.049 0.881 -13.613 1.00 10.00 C ATOM 895 C THR A 70 4.008 2.405 -13.559 1.00 10.00 C ATOM 896 O THR A 70 4.529 3.084 -14.444 1.00 10.00 O ATOM 897 CB THR A 70 4.516 0.440 -15.013 1.00 10.00 C ATOM 898 OG1 THR A 70 3.381 0.107 -15.825 1.00 10.00 O ATOM 899 CG2 THR A 70 5.454 -0.753 -14.929 1.00 10.00 C ATOM 0 H THR A 70 1.956 0.894 -13.599 1.00 10.00 H new ATOM 0 HA THR A 70 4.752 0.513 -12.865 1.00 10.00 H new ATOM 0 HB THR A 70 5.058 1.270 -15.465 1.00 10.00 H new ATOM 0 HG1 THR A 70 3.685 -0.171 -16.714 1.00 10.00 H new ATOM 0 HG21 THR A 70 5.767 -1.041 -15.933 1.00 10.00 H new ATOM 0 HG22 THR A 70 6.330 -0.486 -14.339 1.00 10.00 H new ATOM 0 HG23 THR A 70 4.938 -1.589 -14.456 1.00 10.00 H new ATOM 907 N ASP A 71 3.399 2.947 -12.511 1.00 10.00 N ATOM 908 CA ASP A 71 3.285 4.395 -12.374 1.00 10.00 C ATOM 909 C ASP A 71 3.736 4.873 -11.002 1.00 10.00 C ATOM 910 O ASP A 71 3.737 4.114 -10.030 1.00 10.00 O ATOM 911 CB ASP A 71 1.841 4.851 -12.611 1.00 10.00 C ATOM 912 CG ASP A 71 1.495 4.952 -14.081 1.00 10.00 C ATOM 913 OD1 ASP A 71 0.686 4.133 -14.564 1.00 10.00 O ATOM 914 OD2 ASP A 71 2.027 5.851 -14.762 1.00 10.00 O ATOM 0 H ASP A 71 2.980 2.412 -11.750 1.00 10.00 H new ATOM 0 HA ASP A 71 3.939 4.834 -13.127 1.00 10.00 H new ATOM 0 HB2 ASP A 71 1.159 4.151 -12.129 1.00 10.00 H new ATOM 0 HB3 ASP A 71 1.688 5.821 -12.138 1.00 10.00 H new ATOM 919 N THR A 72 4.121 6.136 -10.942 1.00 10.00 N ATOM 920 CA THR A 72 4.557 6.766 -9.707 1.00 10.00 C ATOM 921 C THR A 72 3.737 8.035 -9.486 1.00 10.00 C ATOM 922 O THR A 72 3.104 8.529 -10.425 1.00 10.00 O ATOM 923 CB THR A 72 6.058 7.132 -9.763 1.00 10.00 C ATOM 924 OG1 THR A 72 6.332 7.889 -10.947 1.00 10.00 O ATOM 925 CG2 THR A 72 6.931 5.888 -9.736 1.00 10.00 C ATOM 0 H THR A 72 4.140 6.756 -11.752 1.00 10.00 H new ATOM 0 HA THR A 72 4.409 6.064 -8.887 1.00 10.00 H new ATOM 0 HB THR A 72 6.292 7.731 -8.883 1.00 10.00 H new ATOM 0 HG1 THR A 72 7.284 8.119 -10.975 1.00 10.00 H new ATOM 0 HG21 THR A 72 7.981 6.179 -9.777 1.00 10.00 H new ATOM 0 HG22 THR A 72 6.744 5.332 -8.817 1.00 10.00 H new ATOM 0 HG23 THR A 72 6.695 5.259 -10.595 1.00 10.00 H new ATOM 933 N PRO A 73 3.717 8.582 -8.257 1.00 10.00 N ATOM 934 CA PRO A 73 2.967 9.807 -7.960 1.00 10.00 C ATOM 935 C PRO A 73 3.431 10.975 -8.825 1.00 10.00 C ATOM 936 O PRO A 73 2.642 11.844 -9.194 1.00 10.00 O ATOM 937 CB PRO A 73 3.273 10.076 -6.482 1.00 10.00 C ATOM 938 CG PRO A 73 3.713 8.766 -5.931 1.00 10.00 C ATOM 939 CD PRO A 73 4.397 8.050 -7.060 1.00 10.00 C ATOM 0 HA PRO A 73 1.902 9.696 -8.164 1.00 10.00 H new ATOM 0 HB2 PRO A 73 4.051 10.831 -6.372 1.00 10.00 H new ATOM 0 HB3 PRO A 73 2.392 10.448 -5.959 1.00 10.00 H new ATOM 0 HG2 PRO A 73 4.391 8.905 -5.089 1.00 10.00 H new ATOM 0 HG3 PRO A 73 2.862 8.192 -5.563 1.00 10.00 H new ATOM 0 HD2 PRO A 73 5.467 8.257 -7.079 1.00 10.00 H new ATOM 0 HD3 PRO A 73 4.283 6.969 -6.979 1.00 10.00 H new ATOM 947 N ALA A 74 4.717 10.973 -9.160 1.00 10.00 N ATOM 948 CA ALA A 74 5.300 12.021 -9.987 1.00 10.00 C ATOM 949 C ALA A 74 4.967 11.806 -11.460 1.00 10.00 C ATOM 950 O ALA A 74 4.836 12.760 -12.224 1.00 10.00 O ATOM 951 CB ALA A 74 6.807 12.068 -9.789 1.00 10.00 C ATOM 0 H ALA A 74 5.378 10.253 -8.869 1.00 10.00 H new ATOM 0 HA ALA A 74 4.872 12.975 -9.679 1.00 10.00 H new ATOM 0 HB1 ALA A 74 7.231 12.855 -10.412 1.00 10.00 H new ATOM 0 HB2 ALA A 74 7.030 12.274 -8.742 1.00 10.00 H new ATOM 0 HB3 ALA A 74 7.241 11.109 -10.070 1.00 10.00 H new ATOM 957 N GLN A 75 4.819 10.545 -11.850 1.00 10.00 N ATOM 958 CA GLN A 75 4.507 10.195 -13.233 1.00 10.00 C ATOM 959 C GLN A 75 3.082 10.592 -13.597 1.00 10.00 C ATOM 960 O GLN A 75 2.821 11.054 -14.707 1.00 10.00 O ATOM 961 CB GLN A 75 4.704 8.693 -13.454 1.00 10.00 C ATOM 962 CG GLN A 75 4.414 8.231 -14.873 1.00 10.00 C ATOM 963 CD GLN A 75 5.337 8.864 -15.900 1.00 10.00 C ATOM 964 OE1 GLN A 75 6.486 9.191 -15.607 1.00 10.00 O ATOM 965 NE2 GLN A 75 4.842 9.035 -17.112 1.00 10.00 N ATOM 0 H GLN A 75 4.910 9.744 -11.225 1.00 10.00 H new ATOM 0 HA GLN A 75 5.188 10.747 -13.880 1.00 10.00 H new ATOM 0 HB2 GLN A 75 5.731 8.431 -13.201 1.00 10.00 H new ATOM 0 HB3 GLN A 75 4.057 8.148 -12.767 1.00 10.00 H new ATOM 0 HG2 GLN A 75 4.511 7.147 -14.924 1.00 10.00 H new ATOM 0 HG3 GLN A 75 3.381 8.470 -15.124 1.00 10.00 H new ATOM 0 HE21 GLN A 75 3.884 8.751 -17.316 1.00 10.00 H new ATOM 0 HE22 GLN A 75 5.418 9.451 -17.844 1.00 10.00 H new ATOM 974 N LEU A 76 2.160 10.418 -12.661 1.00 10.00 N ATOM 975 CA LEU A 76 0.762 10.752 -12.905 1.00 10.00 C ATOM 976 C LEU A 76 0.430 12.162 -12.428 1.00 10.00 C ATOM 977 O LEU A 76 -0.737 12.561 -12.439 1.00 10.00 O ATOM 978 CB LEU A 76 -0.157 9.739 -12.217 1.00 10.00 C ATOM 979 CG LEU A 76 -0.165 8.339 -12.835 1.00 10.00 C ATOM 980 CD1 LEU A 76 -1.029 7.401 -12.008 1.00 10.00 C ATOM 981 CD2 LEU A 76 -0.659 8.387 -14.274 1.00 10.00 C ATOM 0 H LEU A 76 2.352 10.049 -11.730 1.00 10.00 H new ATOM 0 HA LEU A 76 0.599 10.713 -13.982 1.00 10.00 H new ATOM 0 HB2 LEU A 76 0.140 9.655 -11.172 1.00 10.00 H new ATOM 0 HB3 LEU A 76 -1.175 10.129 -12.229 1.00 10.00 H new ATOM 0 HG LEU A 76 0.857 7.960 -12.838 1.00 10.00 H new ATOM 0 HD11 LEU A 76 -1.025 6.409 -12.460 1.00 10.00 H new ATOM 0 HD12 LEU A 76 -0.632 7.340 -10.995 1.00 10.00 H new ATOM 0 HD13 LEU A 76 -2.050 7.781 -11.976 1.00 10.00 H new ATOM 0 HD21 LEU A 76 -0.656 7.381 -14.693 1.00 10.00 H new ATOM 0 HD22 LEU A 76 -1.673 8.787 -14.298 1.00 10.00 H new ATOM 0 HD23 LEU A 76 -0.002 9.027 -14.863 1.00 10.00 H new ATOM 993 N GLU A 77 1.460 12.912 -12.020 1.00 10.00 N ATOM 994 CA GLU A 77 1.283 14.280 -11.528 1.00 10.00 C ATOM 995 C GLU A 77 0.234 14.324 -10.422 1.00 10.00 C ATOM 996 O GLU A 77 -0.708 15.119 -10.466 1.00 10.00 O ATOM 997 CB GLU A 77 0.883 15.215 -12.671 1.00 10.00 C ATOM 998 CG GLU A 77 2.059 15.706 -13.495 1.00 10.00 C ATOM 999 CD GLU A 77 3.028 16.539 -12.681 1.00 10.00 C ATOM 1000 OE1 GLU A 77 2.594 17.539 -12.074 1.00 10.00 O ATOM 1001 OE2 GLU A 77 4.234 16.201 -12.652 1.00 10.00 O ATOM 0 H GLU A 77 2.428 12.591 -12.022 1.00 10.00 H new ATOM 0 HA GLU A 77 2.234 14.618 -11.117 1.00 10.00 H new ATOM 0 HB2 GLU A 77 0.183 14.696 -13.326 1.00 10.00 H new ATOM 0 HB3 GLU A 77 0.355 16.075 -12.258 1.00 10.00 H new ATOM 0 HG2 GLU A 77 2.586 14.850 -13.917 1.00 10.00 H new ATOM 0 HG3 GLU A 77 1.690 16.298 -14.333 1.00 10.00 H new ATOM 1008 N MET A 78 0.405 13.456 -9.438 1.00 10.00 N ATOM 1009 CA MET A 78 -0.524 13.367 -8.324 1.00 10.00 C ATOM 1010 C MET A 78 -0.189 14.389 -7.252 1.00 10.00 C ATOM 1011 O MET A 78 0.984 14.616 -6.931 1.00 10.00 O ATOM 1012 CB MET A 78 -0.506 11.957 -7.733 1.00 10.00 C ATOM 1013 CG MET A 78 -0.966 10.890 -8.710 1.00 10.00 C ATOM 1014 SD MET A 78 -0.470 9.225 -8.221 1.00 10.00 S ATOM 1015 CE MET A 78 -1.396 9.027 -6.700 1.00 10.00 C ATOM 0 H MET A 78 1.184 12.799 -9.389 1.00 10.00 H new ATOM 0 HA MET A 78 -1.525 13.583 -8.698 1.00 10.00 H new ATOM 0 HB2 MET A 78 0.505 11.723 -7.400 1.00 10.00 H new ATOM 0 HB3 MET A 78 -1.146 11.932 -6.851 1.00 10.00 H new ATOM 0 HG2 MET A 78 -2.052 10.929 -8.797 1.00 10.00 H new ATOM 0 HG3 MET A 78 -0.559 11.109 -9.697 1.00 10.00 H new ATOM 0 HE1 MET A 78 -0.708 9.014 -5.854 1.00 10.00 H new ATOM 0 HE2 MET A 78 -2.093 9.857 -6.588 1.00 10.00 H new ATOM 0 HE3 MET A 78 -1.951 8.089 -6.731 1.00 10.00 H new ATOM 1025 N GLU A 79 -1.222 15.007 -6.708 1.00 10.00 N ATOM 1026 CA GLU A 79 -1.054 16.005 -5.670 1.00 10.00 C ATOM 1027 C GLU A 79 -1.177 15.376 -4.292 1.00 10.00 C ATOM 1028 O GLU A 79 -1.613 14.230 -4.150 1.00 10.00 O ATOM 1029 CB GLU A 79 -2.075 17.127 -5.841 1.00 10.00 C ATOM 1030 CG GLU A 79 -1.798 18.005 -7.048 1.00 10.00 C ATOM 1031 CD GLU A 79 -0.384 18.545 -7.049 1.00 10.00 C ATOM 1032 OE1 GLU A 79 -0.057 19.363 -6.164 1.00 10.00 O ATOM 1033 OE2 GLU A 79 0.413 18.157 -7.926 1.00 10.00 O ATOM 0 H GLU A 79 -2.192 14.833 -6.971 1.00 10.00 H new ATOM 0 HA GLU A 79 -0.054 16.429 -5.761 1.00 10.00 H new ATOM 0 HB2 GLU A 79 -3.070 16.693 -5.936 1.00 10.00 H new ATOM 0 HB3 GLU A 79 -2.081 17.745 -4.943 1.00 10.00 H new ATOM 0 HG2 GLU A 79 -1.967 17.431 -7.959 1.00 10.00 H new ATOM 0 HG3 GLU A 79 -2.503 18.836 -7.060 1.00 10.00 H new ATOM 1040 N ASP A 80 -0.793 16.134 -3.281 1.00 10.00 N ATOM 1041 CA ASP A 80 -0.837 15.662 -1.907 1.00 10.00 C ATOM 1042 C ASP A 80 -2.267 15.661 -1.370 1.00 10.00 C ATOM 1043 O ASP A 80 -3.056 16.556 -1.685 1.00 10.00 O ATOM 1044 CB ASP A 80 0.057 16.547 -1.038 1.00 10.00 C ATOM 1045 CG ASP A 80 0.328 15.961 0.333 1.00 10.00 C ATOM 1046 OD1 ASP A 80 1.182 15.054 0.439 1.00 10.00 O ATOM 1047 OD2 ASP A 80 -0.286 16.423 1.312 1.00 10.00 O ATOM 0 H ASP A 80 -0.444 17.087 -3.386 1.00 10.00 H new ATOM 0 HA ASP A 80 -0.472 14.635 -1.878 1.00 10.00 H new ATOM 0 HB2 ASP A 80 1.005 16.708 -1.551 1.00 10.00 H new ATOM 0 HB3 ASP A 80 -0.413 17.524 -0.922 1.00 10.00 H new ATOM 1052 N GLU A 81 -2.588 14.633 -0.585 1.00 10.00 N ATOM 1053 CA GLU A 81 -3.905 14.468 0.034 1.00 10.00 C ATOM 1054 C GLU A 81 -4.990 14.118 -0.984 1.00 10.00 C ATOM 1055 O GLU A 81 -6.160 14.461 -0.794 1.00 10.00 O ATOM 1056 CB GLU A 81 -4.308 15.715 0.826 1.00 10.00 C ATOM 1057 CG GLU A 81 -3.550 15.872 2.132 1.00 10.00 C ATOM 1058 CD GLU A 81 -4.211 16.862 3.061 1.00 10.00 C ATOM 1059 OE1 GLU A 81 -3.718 18.004 3.173 1.00 10.00 O ATOM 1060 OE2 GLU A 81 -5.233 16.500 3.688 1.00 10.00 O ATOM 0 H GLU A 81 -1.935 13.883 -0.358 1.00 10.00 H new ATOM 0 HA GLU A 81 -3.816 13.627 0.722 1.00 10.00 H new ATOM 0 HB2 GLU A 81 -4.140 16.598 0.209 1.00 10.00 H new ATOM 0 HB3 GLU A 81 -5.376 15.672 1.038 1.00 10.00 H new ATOM 0 HG2 GLU A 81 -3.479 14.904 2.627 1.00 10.00 H new ATOM 0 HG3 GLU A 81 -2.531 16.198 1.922 1.00 10.00 H new ATOM 1067 N ASP A 82 -4.613 13.425 -2.051 1.00 10.00 N ATOM 1068 CA ASP A 82 -5.585 13.023 -3.063 1.00 10.00 C ATOM 1069 C ASP A 82 -6.310 11.759 -2.606 1.00 10.00 C ATOM 1070 O ASP A 82 -6.001 11.215 -1.542 1.00 10.00 O ATOM 1071 CB ASP A 82 -4.918 12.802 -4.423 1.00 10.00 C ATOM 1072 CG ASP A 82 -5.802 13.268 -5.565 1.00 10.00 C ATOM 1073 OD1 ASP A 82 -6.861 12.649 -5.800 1.00 10.00 O ATOM 1074 OD2 ASP A 82 -5.457 14.275 -6.217 1.00 10.00 O ATOM 0 H ASP A 82 -3.654 13.132 -2.238 1.00 10.00 H new ATOM 0 HA ASP A 82 -6.310 13.828 -3.183 1.00 10.00 H new ATOM 0 HB2 ASP A 82 -3.970 13.339 -4.455 1.00 10.00 H new ATOM 0 HB3 ASP A 82 -4.690 11.744 -4.548 1.00 10.00 H new ATOM 1079 N THR A 83 -7.253 11.278 -3.400 1.00 10.00 N ATOM 1080 CA THR A 83 -8.021 10.102 -3.023 1.00 10.00 C ATOM 1081 C THR A 83 -7.919 8.982 -4.064 1.00 10.00 C ATOM 1082 O THR A 83 -8.115 9.204 -5.259 1.00 10.00 O ATOM 1083 CB THR A 83 -9.504 10.469 -2.803 1.00 10.00 C ATOM 1084 OG1 THR A 83 -9.600 11.680 -2.035 1.00 10.00 O ATOM 1085 CG2 THR A 83 -10.242 9.352 -2.081 1.00 10.00 C ATOM 0 H THR A 83 -7.504 11.680 -4.303 1.00 10.00 H new ATOM 0 HA THR A 83 -7.592 9.733 -2.091 1.00 10.00 H new ATOM 0 HB THR A 83 -9.965 10.615 -3.780 1.00 10.00 H new ATOM 0 HG1 THR A 83 -10.544 11.908 -1.901 1.00 10.00 H new ATOM 0 HG21 THR A 83 -11.284 9.637 -1.939 1.00 10.00 H new ATOM 0 HG22 THR A 83 -10.193 8.440 -2.676 1.00 10.00 H new ATOM 0 HG23 THR A 83 -9.778 9.178 -1.110 1.00 10.00 H new ATOM 1093 N ILE A 84 -7.608 7.782 -3.588 1.00 10.00 N ATOM 1094 CA ILE A 84 -7.493 6.607 -4.446 1.00 10.00 C ATOM 1095 C ILE A 84 -8.723 5.720 -4.268 1.00 10.00 C ATOM 1096 O ILE A 84 -9.109 5.414 -3.141 1.00 10.00 O ATOM 1097 CB ILE A 84 -6.223 5.790 -4.114 1.00 10.00 C ATOM 1098 CG1 ILE A 84 -5.000 6.709 -4.043 1.00 10.00 C ATOM 1099 CG2 ILE A 84 -6.005 4.691 -5.148 1.00 10.00 C ATOM 1100 CD1 ILE A 84 -3.809 6.082 -3.349 1.00 10.00 C ATOM 0 H ILE A 84 -7.429 7.596 -2.601 1.00 10.00 H new ATOM 0 HA ILE A 84 -7.422 6.949 -5.479 1.00 10.00 H new ATOM 0 HB ILE A 84 -6.361 5.321 -3.140 1.00 10.00 H new ATOM 0 HG12 ILE A 84 -4.711 6.994 -5.055 1.00 10.00 H new ATOM 0 HG13 ILE A 84 -5.274 7.625 -3.519 1.00 10.00 H new ATOM 0 HG21 ILE A 84 -5.106 4.128 -4.896 1.00 10.00 H new ATOM 0 HG22 ILE A 84 -6.864 4.020 -5.153 1.00 10.00 H new ATOM 0 HG23 ILE A 84 -5.888 5.138 -6.135 1.00 10.00 H new ATOM 0 HD11 ILE A 84 -2.981 6.791 -3.336 1.00 10.00 H new ATOM 0 HD12 ILE A 84 -4.080 5.822 -2.326 1.00 10.00 H new ATOM 0 HD13 ILE A 84 -3.508 5.182 -3.885 1.00 10.00 H new ATOM 1112 N ASP A 85 -9.336 5.307 -5.368 1.00 10.00 N ATOM 1113 CA ASP A 85 -10.537 4.475 -5.306 1.00 10.00 C ATOM 1114 C ASP A 85 -10.219 3.004 -5.522 1.00 10.00 C ATOM 1115 O ASP A 85 -9.409 2.650 -6.380 1.00 10.00 O ATOM 1116 CB ASP A 85 -11.561 4.933 -6.343 1.00 10.00 C ATOM 1117 CG ASP A 85 -12.446 6.044 -5.827 1.00 10.00 C ATOM 1118 OD1 ASP A 85 -13.438 5.746 -5.128 1.00 10.00 O ATOM 1119 OD2 ASP A 85 -12.158 7.221 -6.121 1.00 10.00 O ATOM 0 H ASP A 85 -9.026 5.532 -6.313 1.00 10.00 H new ATOM 0 HA ASP A 85 -10.954 4.589 -4.306 1.00 10.00 H new ATOM 0 HB2 ASP A 85 -11.040 5.273 -7.238 1.00 10.00 H new ATOM 0 HB3 ASP A 85 -12.180 4.086 -6.637 1.00 10.00 H new ATOM 1124 N VAL A 86 -10.872 2.151 -4.741 1.00 10.00 N ATOM 1125 CA VAL A 86 -10.680 0.709 -4.838 1.00 10.00 C ATOM 1126 C VAL A 86 -12.029 0.007 -4.950 1.00 10.00 C ATOM 1127 O VAL A 86 -12.902 0.189 -4.099 1.00 10.00 O ATOM 1128 CB VAL A 86 -9.925 0.141 -3.614 1.00 10.00 C ATOM 1129 CG1 VAL A 86 -9.521 -1.305 -3.859 1.00 10.00 C ATOM 1130 CG2 VAL A 86 -8.706 0.987 -3.281 1.00 10.00 C ATOM 0 H VAL A 86 -11.544 2.436 -4.029 1.00 10.00 H new ATOM 0 HA VAL A 86 -10.080 0.526 -5.729 1.00 10.00 H new ATOM 0 HB VAL A 86 -10.600 0.172 -2.759 1.00 10.00 H new ATOM 0 HG11 VAL A 86 -8.991 -1.687 -2.987 1.00 10.00 H new ATOM 0 HG12 VAL A 86 -10.412 -1.907 -4.035 1.00 10.00 H new ATOM 0 HG13 VAL A 86 -8.870 -1.358 -4.731 1.00 10.00 H new ATOM 0 HG21 VAL A 86 -8.195 0.564 -2.416 1.00 10.00 H new ATOM 0 HG22 VAL A 86 -8.027 0.999 -4.134 1.00 10.00 H new ATOM 0 HG23 VAL A 86 -9.021 2.005 -3.054 1.00 10.00 H new ATOM 1140 N PHE A 87 -12.204 -0.785 -6.000 1.00 10.00 N ATOM 1141 CA PHE A 87 -13.455 -1.502 -6.212 1.00 10.00 C ATOM 1142 C PHE A 87 -13.196 -2.997 -6.373 1.00 10.00 C ATOM 1143 O PHE A 87 -12.061 -3.412 -6.608 1.00 10.00 O ATOM 1144 CB PHE A 87 -14.182 -0.959 -7.447 1.00 10.00 C ATOM 1145 CG PHE A 87 -14.603 0.479 -7.313 1.00 10.00 C ATOM 1146 CD1 PHE A 87 -15.654 0.832 -6.482 1.00 10.00 C ATOM 1147 CD2 PHE A 87 -13.947 1.474 -8.018 1.00 10.00 C ATOM 1148 CE1 PHE A 87 -16.044 2.151 -6.355 1.00 10.00 C ATOM 1149 CE2 PHE A 87 -14.332 2.796 -7.895 1.00 10.00 C ATOM 1150 CZ PHE A 87 -15.381 3.134 -7.063 1.00 10.00 C ATOM 0 H PHE A 87 -11.497 -0.947 -6.717 1.00 10.00 H new ATOM 0 HA PHE A 87 -14.087 -1.350 -5.337 1.00 10.00 H new ATOM 0 HB2 PHE A 87 -13.531 -1.059 -8.315 1.00 10.00 H new ATOM 0 HB3 PHE A 87 -15.064 -1.571 -7.638 1.00 10.00 H new ATOM 0 HD1 PHE A 87 -16.175 0.066 -5.927 1.00 10.00 H new ATOM 0 HD2 PHE A 87 -13.126 1.215 -8.670 1.00 10.00 H new ATOM 0 HE1 PHE A 87 -16.865 2.413 -5.704 1.00 10.00 H new ATOM 0 HE2 PHE A 87 -13.813 3.564 -8.449 1.00 10.00 H new ATOM 0 HZ PHE A 87 -15.683 4.166 -6.966 1.00 10.00 H new ATOM 1160 N GLN A 88 -14.247 -3.797 -6.248 1.00 10.00 N ATOM 1161 CA GLN A 88 -14.133 -5.245 -6.376 1.00 10.00 C ATOM 1162 C GLN A 88 -14.356 -5.685 -7.819 1.00 10.00 C ATOM 1163 O GLN A 88 -15.105 -5.050 -8.567 1.00 10.00 O ATOM 1164 CB GLN A 88 -15.144 -5.943 -5.463 1.00 10.00 C ATOM 1165 CG GLN A 88 -14.782 -5.887 -3.989 1.00 10.00 C ATOM 1166 CD GLN A 88 -13.887 -7.031 -3.556 1.00 10.00 C ATOM 1167 OE1 GLN A 88 -13.966 -8.140 -4.085 1.00 10.00 O ATOM 1168 NE2 GLN A 88 -13.027 -6.771 -2.583 1.00 10.00 N ATOM 0 H GLN A 88 -15.193 -3.466 -6.057 1.00 10.00 H new ATOM 0 HA GLN A 88 -13.124 -5.528 -6.077 1.00 10.00 H new ATOM 0 HB2 GLN A 88 -16.123 -5.485 -5.604 1.00 10.00 H new ATOM 0 HB3 GLN A 88 -15.233 -6.986 -5.766 1.00 10.00 H new ATOM 0 HG2 GLN A 88 -14.282 -4.942 -3.779 1.00 10.00 H new ATOM 0 HG3 GLN A 88 -15.696 -5.903 -3.395 1.00 10.00 H new ATOM 0 HE21 GLN A 88 -12.991 -5.839 -2.169 1.00 10.00 H new ATOM 0 HE22 GLN A 88 -12.400 -7.502 -2.247 1.00 10.00 H new ATOM 1177 N GLN A 89 -13.696 -6.769 -8.200 1.00 10.00 N ATOM 1178 CA GLN A 89 -13.811 -7.317 -9.543 1.00 10.00 C ATOM 1179 C GLN A 89 -15.063 -8.185 -9.655 1.00 10.00 C ATOM 1180 O GLN A 89 -15.411 -8.908 -8.716 1.00 10.00 O ATOM 1181 CB GLN A 89 -12.553 -8.138 -9.875 1.00 10.00 C ATOM 1182 CG GLN A 89 -12.746 -9.184 -10.969 1.00 10.00 C ATOM 1183 CD GLN A 89 -13.011 -8.578 -12.332 1.00 10.00 C ATOM 1184 OE1 GLN A 89 -12.518 -7.500 -12.653 1.00 10.00 O ATOM 1185 NE2 GLN A 89 -13.796 -9.269 -13.145 1.00 10.00 N ATOM 0 H GLN A 89 -13.068 -7.292 -7.589 1.00 10.00 H new ATOM 0 HA GLN A 89 -13.898 -6.499 -10.258 1.00 10.00 H new ATOM 0 HB2 GLN A 89 -11.760 -7.455 -10.180 1.00 10.00 H new ATOM 0 HB3 GLN A 89 -12.212 -8.638 -8.969 1.00 10.00 H new ATOM 0 HG2 GLN A 89 -11.857 -9.812 -11.024 1.00 10.00 H new ATOM 0 HG3 GLN A 89 -13.578 -9.834 -10.699 1.00 10.00 H new ATOM 0 HE21 GLN A 89 -14.186 -10.161 -12.841 1.00 10.00 H new ATOM 0 HE22 GLN A 89 -14.010 -8.909 -14.075 1.00 10.00 H new ATOM 1194 N GLN A 90 -15.744 -8.084 -10.795 1.00 10.00 N ATOM 1195 CA GLN A 90 -16.946 -8.869 -11.053 1.00 10.00 C ATOM 1196 C GLN A 90 -16.652 -10.351 -10.857 1.00 10.00 C ATOM 1197 O GLN A 90 -15.823 -10.931 -11.561 1.00 10.00 O ATOM 1198 CB GLN A 90 -17.458 -8.620 -12.476 1.00 10.00 C ATOM 1199 CG GLN A 90 -18.156 -7.278 -12.661 1.00 10.00 C ATOM 1200 CD GLN A 90 -17.195 -6.102 -12.683 1.00 10.00 C ATOM 1201 OE1 GLN A 90 -16.038 -6.230 -13.091 1.00 10.00 O ATOM 1202 NE2 GLN A 90 -17.671 -4.949 -12.245 1.00 10.00 N ATOM 0 H GLN A 90 -15.480 -7.461 -11.558 1.00 10.00 H new ATOM 0 HA GLN A 90 -17.719 -8.561 -10.348 1.00 10.00 H new ATOM 0 HB2 GLN A 90 -16.618 -8.679 -13.168 1.00 10.00 H new ATOM 0 HB3 GLN A 90 -18.150 -9.418 -12.746 1.00 10.00 H new ATOM 0 HG2 GLN A 90 -18.721 -7.295 -13.593 1.00 10.00 H new ATOM 0 HG3 GLN A 90 -18.876 -7.136 -11.855 1.00 10.00 H new ATOM 0 HE21 GLN A 90 -18.635 -4.887 -11.916 1.00 10.00 H new ATOM 0 HE22 GLN A 90 -17.075 -4.122 -12.236 1.00 10.00 H new ATOM 1211 N THR A 91 -17.324 -10.956 -9.896 1.00 10.00 N ATOM 1212 CA THR A 91 -17.119 -12.363 -9.588 1.00 10.00 C ATOM 1213 C THR A 91 -18.208 -13.236 -10.213 1.00 10.00 C ATOM 1214 O THR A 91 -18.604 -14.254 -9.644 1.00 10.00 O ATOM 1215 CB THR A 91 -17.092 -12.577 -8.063 1.00 10.00 C ATOM 1216 OG1 THR A 91 -17.014 -11.306 -7.394 1.00 10.00 O ATOM 1217 CG2 THR A 91 -15.906 -13.437 -7.657 1.00 10.00 C ATOM 0 H THR A 91 -18.021 -10.494 -9.311 1.00 10.00 H new ATOM 0 HA THR A 91 -16.160 -12.658 -10.013 1.00 10.00 H new ATOM 0 HB THR A 91 -18.009 -13.090 -7.773 1.00 10.00 H new ATOM 0 HG1 THR A 91 -16.999 -11.447 -6.424 1.00 10.00 H new ATOM 0 HG21 THR A 91 -15.909 -13.574 -6.576 1.00 10.00 H new ATOM 0 HG22 THR A 91 -15.977 -14.409 -8.146 1.00 10.00 H new ATOM 0 HG23 THR A 91 -14.981 -12.946 -7.958 1.00 10.00 H new ATOM 1225 N GLY A 92 -18.681 -12.836 -11.388 1.00 10.00 N ATOM 1226 CA GLY A 92 -19.718 -13.586 -12.069 1.00 10.00 C ATOM 1227 C GLY A 92 -20.628 -12.684 -12.872 1.00 10.00 C ATOM 1228 O GLY A 92 -20.366 -11.482 -12.979 1.00 10.00 O ATOM 0 H GLY A 92 -18.363 -12.002 -11.882 1.00 10.00 H new ATOM 0 HA2 GLY A 92 -19.260 -14.322 -12.730 1.00 10.00 H new ATOM 0 HA3 GLY A 92 -20.307 -14.138 -11.337 1.00 10.00 H new TER 1232 GLY A 92 ATOM 1233 N ASP B 195 -14.629 6.327 13.839 1.00 10.00 N ATOM 1234 CA ASP B 195 -14.374 5.586 12.606 1.00 10.00 C ATOM 1235 C ASP B 195 -13.083 4.782 12.714 1.00 10.00 C ATOM 1236 O ASP B 195 -12.535 4.610 13.809 1.00 10.00 O ATOM 1237 CB ASP B 195 -14.289 6.544 11.414 1.00 10.00 C ATOM 1238 CG ASP B 195 -15.646 6.873 10.827 1.00 10.00 C ATOM 1239 OD1 ASP B 195 -16.116 8.015 11.013 1.00 10.00 O ATOM 1240 OD2 ASP B 195 -16.249 5.995 10.174 1.00 10.00 O ATOM 0 HA ASP B 195 -15.203 4.896 12.450 1.00 10.00 H new ATOM 0 HB2 ASP B 195 -13.801 7.466 11.729 1.00 10.00 H new ATOM 0 HB3 ASP B 195 -13.662 6.100 10.641 1.00 10.00 H new ATOM 1245 N THR B 196 -12.595 4.294 11.583 1.00 10.00 N ATOM 1246 CA THR B 196 -11.370 3.530 11.560 1.00 10.00 C ATOM 1247 C THR B 196 -10.322 4.236 10.703 1.00 10.00 C ATOM 1248 O THR B 196 -10.582 4.599 9.554 1.00 10.00 O ATOM 1249 CB THR B 196 -11.605 2.118 10.998 1.00 10.00 C ATOM 1250 OG1 THR B 196 -12.930 1.667 11.315 1.00 10.00 O ATOM 1251 CG2 THR B 196 -10.582 1.144 11.554 1.00 10.00 C ATOM 0 H THR B 196 -13.034 4.417 10.671 1.00 10.00 H new ATOM 0 HA THR B 196 -11.015 3.447 12.587 1.00 10.00 H new ATOM 0 HB THR B 196 -11.495 2.161 9.914 1.00 10.00 H new ATOM 0 HG1 THR B 196 -13.066 0.768 10.950 1.00 10.00 H new ATOM 0 HG21 THR B 196 -10.765 0.151 11.144 1.00 10.00 H new ATOM 0 HG22 THR B 196 -9.580 1.471 11.277 1.00 10.00 H new ATOM 0 HG23 THR B 196 -10.665 1.110 12.640 1.00 10.00 H new ATOM 1259 N ALA B 197 -9.140 4.428 11.269 1.00 10.00 N ATOM 1260 CA ALA B 197 -8.055 5.086 10.561 1.00 10.00 C ATOM 1261 C ALA B 197 -6.857 4.159 10.460 1.00 10.00 C ATOM 1262 O ALA B 197 -6.380 3.638 11.468 1.00 10.00 O ATOM 1263 CB ALA B 197 -7.662 6.379 11.261 1.00 10.00 C ATOM 0 H ALA B 197 -8.909 4.136 12.219 1.00 10.00 H new ATOM 0 HA ALA B 197 -8.398 5.330 9.556 1.00 10.00 H new ATOM 0 HB1 ALA B 197 -6.848 6.856 10.715 1.00 10.00 H new ATOM 0 HB2 ALA B 197 -8.520 7.051 11.293 1.00 10.00 H new ATOM 0 HB3 ALA B 197 -7.336 6.158 12.277 1.00 10.00 H new ATOM 1269 N GLY B 198 -6.379 3.980 9.242 1.00 10.00 N ATOM 1270 CA GLY B 198 -5.246 3.122 8.982 1.00 10.00 C ATOM 1271 C GLY B 198 -4.124 3.871 8.289 1.00 10.00 C ATOM 1272 O GLY B 198 -4.382 4.627 7.360 1.00 10.00 O ATOM 0 H GLY B 198 -6.766 4.425 8.410 1.00 10.00 H new ATOM 0 HA2 GLY B 198 -4.881 2.707 9.921 1.00 10.00 H new ATOM 0 HA3 GLY B 198 -5.560 2.282 8.363 1.00 10.00 H new ATOM 1276 N CYS B 199 -2.895 3.700 8.740 1.00 10.00 N ATOM 1277 CA CYS B 199 -1.772 4.382 8.117 1.00 10.00 C ATOM 1278 C CYS B 199 -0.783 3.370 7.545 1.00 10.00 C ATOM 1279 O CYS B 199 -0.346 2.450 8.237 1.00 10.00 O ATOM 1280 CB CYS B 199 -1.075 5.290 9.135 1.00 10.00 C ATOM 1281 SG CYS B 199 -2.164 6.535 9.866 1.00 10.00 S ATOM 0 H CYS B 199 -2.649 3.101 9.528 1.00 10.00 H new ATOM 0 HA CYS B 199 -2.149 4.996 7.299 1.00 10.00 H new ATOM 0 HB2 CYS B 199 -0.657 4.674 9.931 1.00 10.00 H new ATOM 0 HB3 CYS B 199 -0.239 5.792 8.648 1.00 10.00 H new ATOM 0 HG CYS B 199 -1.492 7.255 10.715 1.00 10.00 H new ATOM 1287 N ILE B 200 -0.464 3.524 6.267 1.00 10.00 N ATOM 1288 CA ILE B 200 0.473 2.635 5.602 1.00 10.00 C ATOM 1289 C ILE B 200 1.612 3.435 4.977 1.00 10.00 C ATOM 1290 O ILE B 200 1.376 4.408 4.257 1.00 10.00 O ATOM 1291 CB ILE B 200 -0.213 1.768 4.521 1.00 10.00 C ATOM 1292 CG1 ILE B 200 -1.450 1.071 5.109 1.00 10.00 C ATOM 1293 CG2 ILE B 200 0.769 0.747 3.967 1.00 10.00 C ATOM 1294 CD1 ILE B 200 -2.112 0.088 4.167 1.00 10.00 C ATOM 0 H ILE B 200 -0.843 4.259 5.670 1.00 10.00 H new ATOM 0 HA ILE B 200 0.872 1.963 6.362 1.00 10.00 H new ATOM 0 HB ILE B 200 -0.537 2.411 3.703 1.00 10.00 H new ATOM 0 HG12 ILE B 200 -1.160 0.546 6.019 1.00 10.00 H new ATOM 0 HG13 ILE B 200 -2.179 1.829 5.397 1.00 10.00 H new ATOM 0 HG21 ILE B 200 0.275 0.142 3.207 1.00 10.00 H new ATOM 0 HG22 ILE B 200 1.620 1.264 3.523 1.00 10.00 H new ATOM 0 HG23 ILE B 200 1.117 0.102 4.774 1.00 10.00 H new ATOM 0 HD11 ILE B 200 -2.976 -0.360 4.657 1.00 10.00 H new ATOM 0 HD12 ILE B 200 -2.436 0.609 3.266 1.00 10.00 H new ATOM 0 HD13 ILE B 200 -1.401 -0.694 3.898 1.00 10.00 H new ATOM 1306 N VAL B 201 2.842 3.037 5.254 1.00 10.00 N ATOM 1307 CA VAL B 201 4.002 3.714 4.699 1.00 10.00 C ATOM 1308 C VAL B 201 4.848 2.738 3.879 1.00 10.00 C ATOM 1309 O VAL B 201 5.176 1.647 4.350 1.00 10.00 O ATOM 1310 CB VAL B 201 4.868 4.361 5.812 1.00 10.00 C ATOM 1311 CG1 VAL B 201 5.066 3.400 6.969 1.00 10.00 C ATOM 1312 CG2 VAL B 201 6.210 4.821 5.266 1.00 10.00 C ATOM 0 H VAL B 201 3.063 2.247 5.861 1.00 10.00 H new ATOM 0 HA VAL B 201 3.640 4.509 4.047 1.00 10.00 H new ATOM 0 HB VAL B 201 4.335 5.237 6.180 1.00 10.00 H new ATOM 0 HG11 VAL B 201 5.676 3.876 7.737 1.00 10.00 H new ATOM 0 HG12 VAL B 201 4.097 3.133 7.390 1.00 10.00 H new ATOM 0 HG13 VAL B 201 5.568 2.500 6.613 1.00 10.00 H new ATOM 0 HG21 VAL B 201 6.795 5.270 6.069 1.00 10.00 H new ATOM 0 HG22 VAL B 201 6.750 3.966 4.859 1.00 10.00 H new ATOM 0 HG23 VAL B 201 6.049 5.557 4.478 1.00 10.00 H new ATOM 1322 N ILE B 202 5.165 3.111 2.645 1.00 10.00 N ATOM 1323 CA ILE B 202 5.989 2.264 1.790 1.00 10.00 C ATOM 1324 C ILE B 202 7.237 3.025 1.344 1.00 10.00 C ATOM 1325 O ILE B 202 7.150 4.176 0.902 1.00 10.00 O ATOM 1326 CB ILE B 202 5.216 1.727 0.548 1.00 10.00 C ATOM 1327 CG1 ILE B 202 5.078 2.805 -0.531 1.00 10.00 C ATOM 1328 CG2 ILE B 202 3.846 1.198 0.954 1.00 10.00 C ATOM 1329 CD1 ILE B 202 4.267 2.379 -1.733 1.00 10.00 C ATOM 0 H ILE B 202 4.867 3.987 2.216 1.00 10.00 H new ATOM 0 HA ILE B 202 6.278 1.397 2.384 1.00 10.00 H new ATOM 0 HB ILE B 202 5.794 0.905 0.127 1.00 10.00 H new ATOM 0 HG12 ILE B 202 4.616 3.688 -0.089 1.00 10.00 H new ATOM 0 HG13 ILE B 202 6.073 3.099 -0.864 1.00 10.00 H new ATOM 0 HG21 ILE B 202 3.323 0.828 0.072 1.00 10.00 H new ATOM 0 HG22 ILE B 202 3.967 0.386 1.671 1.00 10.00 H new ATOM 0 HG23 ILE B 202 3.266 2.001 1.409 1.00 10.00 H new ATOM 0 HD11 ILE B 202 4.218 3.200 -2.449 1.00 10.00 H new ATOM 0 HD12 ILE B 202 4.738 1.516 -2.203 1.00 10.00 H new ATOM 0 HD13 ILE B 202 3.258 2.114 -1.416 1.00 10.00 H new HETATM 1341 N SEP B 203 8.401 2.415 1.497 1.00 10.00 N HETATM 1342 CA SEP B 203 9.638 3.056 1.075 1.00 10.00 C HETATM 1343 CB SEP B 203 10.568 3.271 2.271 1.00 10.00 C HETATM 1344 OG SEP B 203 10.011 4.168 3.221 1.00 10.00 O HETATM 1345 C SEP B 203 10.348 2.208 0.032 1.00 10.00 C HETATM 1346 O SEP B 203 10.594 1.020 0.243 1.00 10.00 O HETATM 1347 P SEP B 203 10.980 5.161 4.017 1.00 10.00 P HETATM 1348 O1P SEP B 203 12.383 5.121 3.567 1.00 10.00 O HETATM 1349 O2P SEP B 203 10.828 5.111 5.481 1.00 10.00 O HETATM 1350 O3P SEP B 203 10.490 6.630 3.618 1.00 10.00 O HETATM 0 HB3 SEP B 203 10.770 2.313 2.751 1.00 10.00 H new HETATM 0 HB2 SEP B 203 11.524 3.660 1.922 1.00 10.00 H new HETATM 0 HA SEP B 203 9.384 4.023 0.640 1.00 10.00 H new ATOM 1355 N ASP B 204 10.647 2.816 -1.104 1.00 10.00 N ATOM 1356 CA ASP B 204 11.359 2.134 -2.170 1.00 10.00 C ATOM 1357 C ASP B 204 12.600 2.916 -2.545 1.00 10.00 C ATOM 1358 O ASP B 204 12.535 4.128 -2.739 1.00 10.00 O ATOM 1359 CB ASP B 204 10.464 1.945 -3.396 1.00 10.00 C ATOM 1360 CG ASP B 204 10.927 0.802 -4.281 1.00 10.00 C ATOM 1361 OD1 ASP B 204 12.028 0.889 -4.857 1.00 10.00 O ATOM 1362 OD2 ASP B 204 10.191 -0.196 -4.404 1.00 10.00 O ATOM 0 H ASP B 204 10.406 3.785 -1.311 1.00 10.00 H new ATOM 0 HA ASP B 204 11.651 1.148 -1.810 1.00 10.00 H new ATOM 0 HB2 ASP B 204 9.441 1.757 -3.070 1.00 10.00 H new ATOM 0 HB3 ASP B 204 10.449 2.867 -3.977 1.00 10.00 H new HETATM 1367 N SEP B 205 13.731 2.247 -2.604 1.00 10.00 N HETATM 1368 CA SEP B 205 14.962 2.908 -2.986 1.00 10.00 C HETATM 1369 CB SEP B 205 15.969 2.834 -1.839 1.00 10.00 C HETATM 1370 OG SEP B 205 15.844 1.606 -1.143 1.00 10.00 O HETATM 1371 C SEP B 205 15.526 2.264 -4.251 1.00 10.00 C HETATM 1372 O SEP B 205 15.723 1.044 -4.315 1.00 10.00 O HETATM 1373 P SEP B 205 15.723 1.601 0.447 1.00 10.00 P HETATM 1374 O1P SEP B 205 16.085 0.310 1.057 1.00 10.00 O HETATM 1375 O2P SEP B 205 16.338 2.774 1.097 1.00 10.00 O HETATM 1376 O3P SEP B 205 14.159 1.756 0.731 1.00 10.00 O HETATM 0 HB3 SEP B 205 16.981 2.935 -2.230 1.00 10.00 H new HETATM 0 HB2 SEP B 205 15.808 3.665 -1.152 1.00 10.00 H new HETATM 0 HA SEP B 205 14.760 3.958 -3.197 1.00 10.00 H new ATOM 1381 N GLU B 206 15.792 3.086 -5.254 1.00 10.00 N ATOM 1382 CA GLU B 206 16.325 2.606 -6.523 1.00 10.00 C ATOM 1383 C GLU B 206 17.813 2.288 -6.402 1.00 10.00 C ATOM 1384 O GLU B 206 18.527 2.931 -5.626 1.00 10.00 O ATOM 1385 CB GLU B 206 16.100 3.654 -7.615 1.00 10.00 C ATOM 1386 CG GLU B 206 16.363 3.147 -9.021 1.00 10.00 C ATOM 1387 CD GLU B 206 15.343 2.121 -9.471 1.00 10.00 C ATOM 1388 OE1 GLU B 206 15.527 0.925 -9.173 1.00 10.00 O ATOM 1389 OE2 GLU B 206 14.357 2.504 -10.133 1.00 10.00 O ATOM 0 H GLU B 206 15.647 4.095 -5.215 1.00 10.00 H new ATOM 0 HA GLU B 206 15.799 1.690 -6.792 1.00 10.00 H new ATOM 0 HB2 GLU B 206 15.072 4.011 -7.555 1.00 10.00 H new ATOM 0 HB3 GLU B 206 16.747 4.510 -7.422 1.00 10.00 H new ATOM 0 HG2 GLU B 206 16.356 3.988 -9.714 1.00 10.00 H new ATOM 0 HG3 GLU B 206 17.359 2.707 -9.064 1.00 10.00 H new TER 1396 GLU B 206