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 19 ASN : amide:sc= 0.981 K(o=2.2,f=-1.6) USER MOD Set 1.2: A 31 GLN : amide:sc= 1.21 K(o=2.2,f=-0.56) USER MOD Single : A 17 HIS : no HD1:sc= 0.804 K(o=0.8,f=-3.5!) USER MOD Single : A 21 LYS NZ :NH3+ -117:sc= 0.803 (180deg=0.33) USER MOD Single : A 25 GLN : amide:sc= 0.975 K(o=0.97,f=-0.66) USER MOD Single : A 28 SER OG : rot -79:sc= 1.17 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -149:sc= -0.236 (180deg=-0.601!) USER MOD Single : A 37 HIS :FLIP no HD1:sc= -0.0839 F(o=-0.94,f=-0.084) USER MOD Single : A 38 THR OG1 : rot -160:sc= -0.11 USER MOD Single : A 41 SER OG : rot 180:sc= -0.12 USER MOD Single : A 42 LYS NZ :NH3+ 155:sc= 1.26 (180deg=1.1) USER MOD Single : A 44 MET CE :methyl -156:sc= -0.181 (180deg=-0.858) 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 -70:sc= -1.51! USER MOD Single : A 51 GLN : amide:sc= -0.152 X(o=-0.15,f=-0.28) USER MOD Single : A 54 SER OG : rot 180:sc= 0.0131 USER MOD Single : A 55 MET CE :methyl 159:sc= -0.203 (180deg=-0.857) USER MOD Single : A 57 GLN : amide:sc= -0.0783 K(o=-0.078,f=-1.8!) USER MOD Single : A 65 GLN : amide:sc= 0.382 X(o=0.38,f=-0.073) USER MOD Single : A 68 ASN : amide:sc= 1.17 K(o=1.2,f=-0.042) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.192 USER MOD Single : A 75 GLN : amide:sc= -0.237 X(o=-0.24,f=-0.093) USER MOD Single : A 78 MET CE :methyl 168:sc=-0.00114 (180deg=-0.158) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -0.0747 K(o=-0.075,f=-1.6!) USER MOD Single : A 89 GLN : amide:sc= 0.868 K(o=0.87,f=-6.8!) USER MOD Single : A 90 GLN : amide:sc= -0.159 K(o=-0.16,f=-2.4) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.0721 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 11.349 14.588 0.586 1.00 10.00 N ATOM 2 CA ASP A 16 10.468 14.412 1.738 1.00 10.00 C ATOM 3 C ASP A 16 9.374 13.393 1.437 1.00 10.00 C ATOM 4 O ASP A 16 9.231 12.937 0.300 1.00 10.00 O ATOM 5 CB ASP A 16 9.835 15.746 2.138 1.00 10.00 C ATOM 6 CG ASP A 16 10.502 16.364 3.343 1.00 10.00 C ATOM 7 OD1 ASP A 16 10.418 15.774 4.439 1.00 10.00 O ATOM 8 OD2 ASP A 16 11.108 17.450 3.205 1.00 10.00 O ATOM 0 HA ASP A 16 11.072 14.041 2.566 1.00 10.00 H new ATOM 0 HB2 ASP A 16 9.894 16.439 1.299 1.00 10.00 H new ATOM 0 HB3 ASP A 16 8.777 15.593 2.351 1.00 10.00 H new ATOM 13 N HIS A 17 8.602 13.048 2.457 1.00 10.00 N ATOM 14 CA HIS A 17 7.519 12.084 2.309 1.00 10.00 C ATOM 15 C HIS A 17 6.221 12.778 1.915 1.00 10.00 C ATOM 16 O HIS A 17 6.023 13.962 2.200 1.00 10.00 O ATOM 17 CB HIS A 17 7.306 11.313 3.614 1.00 10.00 C ATOM 18 CG HIS A 17 8.228 10.145 3.782 1.00 10.00 C ATOM 19 ND1 HIS A 17 9.306 10.191 4.636 1.00 10.00 N ATOM 20 CD2 HIS A 17 8.183 8.927 3.192 1.00 10.00 C ATOM 21 CE1 HIS A 17 9.883 9.005 4.550 1.00 10.00 C ATOM 22 NE2 HIS A 17 9.240 8.213 3.685 1.00 10.00 N ATOM 0 H HIS A 17 8.705 13.422 3.400 1.00 10.00 H new ATOM 0 HA HIS A 17 7.801 11.388 1.519 1.00 10.00 H new ATOM 0 HB2 HIS A 17 7.441 11.994 4.454 1.00 10.00 H new ATOM 0 HB3 HIS A 17 6.276 10.959 3.652 1.00 10.00 H new ATOM 0 HD2 HIS A 17 7.454 8.586 2.472 1.00 10.00 H new ATOM 0 HE1 HIS A 17 10.761 8.713 5.107 1.00 10.00 H new ATOM 0 HE2 HIS A 17 9.491 7.255 3.439 1.00 10.00 H new ATOM 30 N ILE A 18 5.345 12.038 1.258 1.00 10.00 N ATOM 31 CA ILE A 18 4.056 12.558 0.832 1.00 10.00 C ATOM 32 C ILE A 18 2.950 11.614 1.298 1.00 10.00 C ATOM 33 O ILE A 18 3.103 10.391 1.248 1.00 10.00 O ATOM 34 CB ILE A 18 3.991 12.758 -0.705 1.00 10.00 C ATOM 35 CG1 ILE A 18 2.625 13.305 -1.127 1.00 10.00 C ATOM 36 CG2 ILE A 18 4.297 11.458 -1.433 1.00 10.00 C ATOM 37 CD1 ILE A 18 2.618 13.912 -2.516 1.00 10.00 C ATOM 0 H ILE A 18 5.506 11.063 1.005 1.00 10.00 H new ATOM 0 HA ILE A 18 3.917 13.539 1.287 1.00 10.00 H new ATOM 0 HB ILE A 18 4.750 13.490 -0.981 1.00 10.00 H new ATOM 0 HG12 ILE A 18 1.892 12.499 -1.088 1.00 10.00 H new ATOM 0 HG13 ILE A 18 2.307 14.060 -0.408 1.00 10.00 H new ATOM 0 HG21 ILE A 18 4.245 11.623 -2.509 1.00 10.00 H new ATOM 0 HG22 ILE A 18 5.297 11.118 -1.165 1.00 10.00 H new ATOM 0 HG23 ILE A 18 3.568 10.700 -1.147 1.00 10.00 H new ATOM 0 HD11 ILE A 18 1.618 14.279 -2.748 1.00 10.00 H new ATOM 0 HD12 ILE A 18 3.326 14.740 -2.555 1.00 10.00 H new ATOM 0 HD13 ILE A 18 2.905 13.155 -3.246 1.00 10.00 H new ATOM 49 N ASN A 19 1.852 12.175 1.774 1.00 10.00 N ATOM 50 CA ASN A 19 0.748 11.366 2.261 1.00 10.00 C ATOM 51 C ASN A 19 -0.389 11.330 1.256 1.00 10.00 C ATOM 52 O ASN A 19 -0.813 12.364 0.742 1.00 10.00 O ATOM 53 CB ASN A 19 0.234 11.899 3.599 1.00 10.00 C ATOM 54 CG ASN A 19 1.211 11.667 4.736 1.00 10.00 C ATOM 55 OD1 ASN A 19 1.218 10.605 5.356 1.00 10.00 O ATOM 56 ND2 ASN A 19 2.040 12.660 5.022 1.00 10.00 N ATOM 0 H ASN A 19 1.701 13.182 1.834 1.00 10.00 H new ATOM 0 HA ASN A 19 1.122 10.352 2.402 1.00 10.00 H new ATOM 0 HB2 ASN A 19 0.036 12.967 3.508 1.00 10.00 H new ATOM 0 HB3 ASN A 19 -0.715 11.418 3.837 1.00 10.00 H new ATOM 0 HD21 ASN A 19 2.715 12.559 5.780 1.00 10.00 H new ATOM 0 HD22 ASN A 19 2.003 13.526 4.484 1.00 10.00 H new ATOM 63 N LEU A 20 -0.864 10.132 0.970 1.00 10.00 N ATOM 64 CA LEU A 20 -1.968 9.941 0.046 1.00 10.00 C ATOM 65 C LEU A 20 -3.148 9.337 0.794 1.00 10.00 C ATOM 66 O LEU A 20 -2.981 8.817 1.899 1.00 10.00 O ATOM 67 CB LEU A 20 -1.549 9.036 -1.115 1.00 10.00 C ATOM 68 CG LEU A 20 -0.403 9.572 -1.976 1.00 10.00 C ATOM 69 CD1 LEU A 20 0.021 8.536 -3.006 1.00 10.00 C ATOM 70 CD2 LEU A 20 -0.809 10.868 -2.661 1.00 10.00 C ATOM 0 H LEU A 20 -0.498 9.268 1.369 1.00 10.00 H new ATOM 0 HA LEU A 20 -2.259 10.906 -0.370 1.00 10.00 H new ATOM 0 HB2 LEU A 20 -1.257 8.066 -0.712 1.00 10.00 H new ATOM 0 HB3 LEU A 20 -2.415 8.868 -1.755 1.00 10.00 H new ATOM 0 HG LEU A 20 0.446 9.779 -1.325 1.00 10.00 H new ATOM 0 HD11 LEU A 20 0.837 8.935 -3.609 1.00 10.00 H new ATOM 0 HD12 LEU A 20 0.355 7.632 -2.497 1.00 10.00 H new ATOM 0 HD13 LEU A 20 -0.824 8.298 -3.652 1.00 10.00 H new ATOM 0 HD21 LEU A 20 0.019 11.233 -3.268 1.00 10.00 H new ATOM 0 HD22 LEU A 20 -1.674 10.687 -3.298 1.00 10.00 H new ATOM 0 HD23 LEU A 20 -1.063 11.614 -1.908 1.00 10.00 H new ATOM 82 N LYS A 21 -4.333 9.396 0.207 1.00 10.00 N ATOM 83 CA LYS A 21 -5.517 8.863 0.860 1.00 10.00 C ATOM 84 C LYS A 21 -6.155 7.732 0.063 1.00 10.00 C ATOM 85 O LYS A 21 -6.294 7.807 -1.160 1.00 10.00 O ATOM 86 CB LYS A 21 -6.546 9.974 1.088 1.00 10.00 C ATOM 87 CG LYS A 21 -6.127 10.986 2.141 1.00 10.00 C ATOM 88 CD LYS A 21 -7.129 12.123 2.244 1.00 10.00 C ATOM 89 CE LYS A 21 -6.734 13.113 3.326 1.00 10.00 C ATOM 90 NZ LYS A 21 -7.689 14.250 3.415 1.00 10.00 N ATOM 0 H LYS A 21 -4.500 9.804 -0.713 1.00 10.00 H new ATOM 0 HA LYS A 21 -5.196 8.456 1.819 1.00 10.00 H new ATOM 0 HB2 LYS A 21 -6.721 10.494 0.146 1.00 10.00 H new ATOM 0 HB3 LYS A 21 -7.494 9.524 1.385 1.00 10.00 H new ATOM 0 HG2 LYS A 21 -6.035 10.491 3.108 1.00 10.00 H new ATOM 0 HG3 LYS A 21 -5.144 11.386 1.893 1.00 10.00 H new ATOM 0 HD2 LYS A 21 -7.198 12.637 1.285 1.00 10.00 H new ATOM 0 HD3 LYS A 21 -8.118 11.720 2.461 1.00 10.00 H new ATOM 0 HE2 LYS A 21 -6.689 12.601 4.287 1.00 10.00 H new ATOM 0 HE3 LYS A 21 -5.734 13.495 3.121 1.00 10.00 H new ATOM 0 HZ1 LYS A 21 -7.196 15.136 3.185 1.00 10.00 H new ATOM 0 HZ2 LYS A 21 -8.468 14.103 2.742 1.00 10.00 H new ATOM 0 HZ3 LYS A 21 -8.072 14.307 4.380 1.00 10.00 H new ATOM 104 N VAL A 22 -6.516 6.673 0.767 1.00 10.00 N ATOM 105 CA VAL A 22 -7.182 5.529 0.170 1.00 10.00 C ATOM 106 C VAL A 22 -8.505 5.318 0.886 1.00 10.00 C ATOM 107 O VAL A 22 -8.528 5.077 2.094 1.00 10.00 O ATOM 108 CB VAL A 22 -6.325 4.247 0.261 1.00 10.00 C ATOM 109 CG1 VAL A 22 -7.116 3.027 -0.189 1.00 10.00 C ATOM 110 CG2 VAL A 22 -5.063 4.392 -0.571 1.00 10.00 C ATOM 0 H VAL A 22 -6.355 6.582 1.770 1.00 10.00 H new ATOM 0 HA VAL A 22 -7.342 5.733 -0.889 1.00 10.00 H new ATOM 0 HB VAL A 22 -6.044 4.104 1.304 1.00 10.00 H new ATOM 0 HG11 VAL A 22 -6.489 2.139 -0.115 1.00 10.00 H new ATOM 0 HG12 VAL A 22 -7.992 2.906 0.448 1.00 10.00 H new ATOM 0 HG13 VAL A 22 -7.434 3.161 -1.223 1.00 10.00 H new ATOM 0 HG21 VAL A 22 -4.471 3.480 -0.496 1.00 10.00 H new ATOM 0 HG22 VAL A 22 -5.332 4.565 -1.613 1.00 10.00 H new ATOM 0 HG23 VAL A 22 -4.479 5.235 -0.202 1.00 10.00 H new ATOM 120 N ALA A 23 -9.604 5.438 0.155 1.00 10.00 N ATOM 121 CA ALA A 23 -10.922 5.281 0.747 1.00 10.00 C ATOM 122 C ALA A 23 -11.597 4.005 0.272 1.00 10.00 C ATOM 123 O ALA A 23 -11.779 3.792 -0.929 1.00 10.00 O ATOM 124 CB ALA A 23 -11.791 6.488 0.428 1.00 10.00 C ATOM 0 H ALA A 23 -9.608 5.643 -0.844 1.00 10.00 H new ATOM 0 HA ALA A 23 -10.796 5.209 1.827 1.00 10.00 H new ATOM 0 HB1 ALA A 23 -12.775 6.357 0.878 1.00 10.00 H new ATOM 0 HB2 ALA A 23 -11.325 7.388 0.830 1.00 10.00 H new ATOM 0 HB3 ALA A 23 -11.896 6.585 -0.653 1.00 10.00 H new ATOM 130 N GLY A 24 -11.964 3.161 1.225 1.00 10.00 N ATOM 131 CA GLY A 24 -12.629 1.917 0.904 1.00 10.00 C ATOM 132 C GLY A 24 -14.102 2.126 0.622 1.00 10.00 C ATOM 133 O GLY A 24 -14.639 3.211 0.866 1.00 10.00 O ATOM 0 H GLY A 24 -11.811 3.318 2.221 1.00 10.00 H new ATOM 0 HA2 GLY A 24 -12.153 1.464 0.035 1.00 10.00 H new ATOM 0 HA3 GLY A 24 -12.513 1.218 1.732 1.00 10.00 H new ATOM 137 N GLN A 25 -14.767 1.090 0.131 1.00 10.00 N ATOM 138 CA GLN A 25 -16.187 1.171 -0.195 1.00 10.00 C ATOM 139 C GLN A 25 -17.047 1.202 1.065 1.00 10.00 C ATOM 140 O GLN A 25 -18.235 1.518 1.013 1.00 10.00 O ATOM 141 CB GLN A 25 -16.601 -0.007 -1.076 1.00 10.00 C ATOM 142 CG GLN A 25 -15.771 -0.140 -2.344 1.00 10.00 C ATOM 143 CD GLN A 25 -16.629 -0.320 -3.578 1.00 10.00 C ATOM 144 OE1 GLN A 25 -17.712 -0.901 -3.515 1.00 10.00 O ATOM 145 NE2 GLN A 25 -16.150 0.169 -4.708 1.00 10.00 N ATOM 0 H GLN A 25 -14.346 0.179 -0.052 1.00 10.00 H new ATOM 0 HA GLN A 25 -16.347 2.101 -0.740 1.00 10.00 H new ATOM 0 HB2 GLN A 25 -16.518 -0.928 -0.499 1.00 10.00 H new ATOM 0 HB3 GLN A 25 -17.650 0.105 -1.349 1.00 10.00 H new ATOM 0 HG2 GLN A 25 -15.149 0.747 -2.463 1.00 10.00 H new ATOM 0 HG3 GLN A 25 -15.097 -0.991 -2.246 1.00 10.00 H new ATOM 0 HE21 GLN A 25 -15.247 0.644 -4.716 1.00 10.00 H new ATOM 0 HE22 GLN A 25 -16.683 0.072 -5.572 1.00 10.00 H new ATOM 154 N ASP A 26 -16.438 0.877 2.195 1.00 10.00 N ATOM 155 CA ASP A 26 -17.138 0.860 3.474 1.00 10.00 C ATOM 156 C ASP A 26 -16.982 2.191 4.201 1.00 10.00 C ATOM 157 O ASP A 26 -17.655 2.447 5.201 1.00 10.00 O ATOM 158 CB ASP A 26 -16.609 -0.276 4.348 1.00 10.00 C ATOM 159 CG ASP A 26 -15.184 -0.040 4.815 1.00 10.00 C ATOM 160 OD1 ASP A 26 -14.356 0.431 4.005 1.00 10.00 O ATOM 161 OD2 ASP A 26 -14.883 -0.332 5.988 1.00 10.00 O ATOM 0 H ASP A 26 -15.453 0.619 2.254 1.00 10.00 H new ATOM 0 HA ASP A 26 -18.198 0.699 3.278 1.00 10.00 H new ATOM 0 HB2 ASP A 26 -17.257 -0.393 5.217 1.00 10.00 H new ATOM 0 HB3 ASP A 26 -16.654 -1.211 3.789 1.00 10.00 H new ATOM 166 N GLY A 27 -16.091 3.034 3.697 1.00 10.00 N ATOM 167 CA GLY A 27 -15.873 4.330 4.307 1.00 10.00 C ATOM 168 C GLY A 27 -14.563 4.415 5.064 1.00 10.00 C ATOM 169 O GLY A 27 -14.206 5.482 5.571 1.00 10.00 O ATOM 0 H GLY A 27 -15.515 2.843 2.877 1.00 10.00 H new ATOM 0 HA2 GLY A 27 -15.889 5.097 3.533 1.00 10.00 H new ATOM 0 HA3 GLY A 27 -16.695 4.547 4.989 1.00 10.00 H new ATOM 173 N SER A 28 -13.847 3.301 5.151 1.00 10.00 N ATOM 174 CA SER A 28 -12.566 3.276 5.846 1.00 10.00 C ATOM 175 C SER A 28 -11.537 4.074 5.048 1.00 10.00 C ATOM 176 O SER A 28 -11.554 4.062 3.816 1.00 10.00 O ATOM 177 CB SER A 28 -12.090 1.833 6.039 1.00 10.00 C ATOM 178 OG SER A 28 -12.010 1.143 4.802 1.00 10.00 O ATOM 0 H SER A 28 -14.130 2.406 4.751 1.00 10.00 H new ATOM 0 HA SER A 28 -12.685 3.729 6.830 1.00 10.00 H new ATOM 0 HB2 SER A 28 -11.112 1.832 6.521 1.00 10.00 H new ATOM 0 HB3 SER A 28 -12.775 1.309 6.706 1.00 10.00 H new ATOM 0 HG SER A 28 -12.906 0.852 4.531 1.00 10.00 H new ATOM 184 N VAL A 29 -10.661 4.783 5.740 1.00 10.00 N ATOM 185 CA VAL A 29 -9.643 5.576 5.073 1.00 10.00 C ATOM 186 C VAL A 29 -8.254 5.234 5.609 1.00 10.00 C ATOM 187 O VAL A 29 -8.042 5.174 6.824 1.00 10.00 O ATOM 188 CB VAL A 29 -9.923 7.092 5.222 1.00 10.00 C ATOM 189 CG1 VAL A 29 -10.131 7.470 6.681 1.00 10.00 C ATOM 190 CG2 VAL A 29 -8.802 7.920 4.606 1.00 10.00 C ATOM 0 H VAL A 29 -10.634 4.826 6.759 1.00 10.00 H new ATOM 0 HA VAL A 29 -9.675 5.331 4.011 1.00 10.00 H new ATOM 0 HB VAL A 29 -10.843 7.313 4.681 1.00 10.00 H new ATOM 0 HG11 VAL A 29 -10.326 8.540 6.755 1.00 10.00 H new ATOM 0 HG12 VAL A 29 -10.981 6.918 7.082 1.00 10.00 H new ATOM 0 HG13 VAL A 29 -9.236 7.223 7.252 1.00 10.00 H new ATOM 0 HG21 VAL A 29 -9.025 8.980 4.725 1.00 10.00 H new ATOM 0 HG22 VAL A 29 -7.862 7.689 5.106 1.00 10.00 H new ATOM 0 HG23 VAL A 29 -8.716 7.684 3.545 1.00 10.00 H new ATOM 200 N VAL A 30 -7.327 4.968 4.699 1.00 10.00 N ATOM 201 CA VAL A 30 -5.963 4.641 5.075 1.00 10.00 C ATOM 202 C VAL A 30 -5.006 5.714 4.568 1.00 10.00 C ATOM 203 O VAL A 30 -4.981 6.021 3.377 1.00 10.00 O ATOM 204 CB VAL A 30 -5.510 3.262 4.530 1.00 10.00 C ATOM 205 CG1 VAL A 30 -4.225 2.816 5.218 1.00 10.00 C ATOM 206 CG2 VAL A 30 -6.592 2.209 4.711 1.00 10.00 C ATOM 0 H VAL A 30 -7.498 4.973 3.693 1.00 10.00 H new ATOM 0 HA VAL A 30 -5.941 4.595 6.164 1.00 10.00 H new ATOM 0 HB VAL A 30 -5.324 3.373 3.462 1.00 10.00 H new ATOM 0 HG11 VAL A 30 -3.919 1.846 4.825 1.00 10.00 H new ATOM 0 HG12 VAL A 30 -3.439 3.548 5.030 1.00 10.00 H new ATOM 0 HG13 VAL A 30 -4.396 2.735 6.291 1.00 10.00 H new ATOM 0 HG21 VAL A 30 -6.241 1.255 4.318 1.00 10.00 H new ATOM 0 HG22 VAL A 30 -6.822 2.102 5.771 1.00 10.00 H new ATOM 0 HG23 VAL A 30 -7.490 2.514 4.174 1.00 10.00 H new ATOM 216 N GLN A 31 -4.253 6.298 5.486 1.00 10.00 N ATOM 217 CA GLN A 31 -3.275 7.325 5.163 1.00 10.00 C ATOM 218 C GLN A 31 -2.003 6.660 4.656 1.00 10.00 C ATOM 219 O GLN A 31 -1.342 5.925 5.394 1.00 10.00 O ATOM 220 CB GLN A 31 -2.981 8.173 6.407 1.00 10.00 C ATOM 221 CG GLN A 31 -2.011 9.319 6.169 1.00 10.00 C ATOM 222 CD GLN A 31 -1.682 10.068 7.447 1.00 10.00 C ATOM 223 OE1 GLN A 31 -2.503 10.157 8.360 1.00 10.00 O ATOM 224 NE2 GLN A 31 -0.475 10.606 7.525 1.00 10.00 N ATOM 0 H GLN A 31 -4.303 6.073 6.480 1.00 10.00 H new ATOM 0 HA GLN A 31 -3.669 7.980 4.386 1.00 10.00 H new ATOM 0 HB2 GLN A 31 -3.919 8.579 6.785 1.00 10.00 H new ATOM 0 HB3 GLN A 31 -2.577 7.526 7.186 1.00 10.00 H new ATOM 0 HG2 GLN A 31 -1.092 8.929 5.732 1.00 10.00 H new ATOM 0 HG3 GLN A 31 -2.440 10.011 5.445 1.00 10.00 H new ATOM 0 HE21 GLN A 31 0.177 10.510 6.747 1.00 10.00 H new ATOM 0 HE22 GLN A 31 -0.197 11.116 8.363 1.00 10.00 H new ATOM 233 N PHE A 32 -1.681 6.900 3.394 1.00 10.00 N ATOM 234 CA PHE A 32 -0.507 6.305 2.775 1.00 10.00 C ATOM 235 C PHE A 32 0.707 7.219 2.868 1.00 10.00 C ATOM 236 O PHE A 32 0.775 8.243 2.190 1.00 10.00 O ATOM 237 CB PHE A 32 -0.787 5.982 1.306 1.00 10.00 C ATOM 238 CG PHE A 32 -0.744 4.516 0.985 1.00 10.00 C ATOM 239 CD1 PHE A 32 -1.909 3.826 0.690 1.00 10.00 C ATOM 240 CD2 PHE A 32 0.461 3.828 0.977 1.00 10.00 C ATOM 241 CE1 PHE A 32 -1.875 2.478 0.391 1.00 10.00 C ATOM 242 CE2 PHE A 32 0.501 2.480 0.679 1.00 10.00 C ATOM 243 CZ PHE A 32 -0.668 1.804 0.385 1.00 10.00 C ATOM 0 H PHE A 32 -2.220 7.506 2.776 1.00 10.00 H new ATOM 0 HA PHE A 32 -0.285 5.387 3.319 1.00 10.00 H new ATOM 0 HB2 PHE A 32 -1.769 6.373 1.039 1.00 10.00 H new ATOM 0 HB3 PHE A 32 -0.057 6.501 0.685 1.00 10.00 H new ATOM 0 HD1 PHE A 32 -2.854 4.348 0.694 1.00 10.00 H new ATOM 0 HD2 PHE A 32 1.377 4.352 1.206 1.00 10.00 H new ATOM 0 HE1 PHE A 32 -2.790 1.951 0.162 1.00 10.00 H new ATOM 0 HE2 PHE A 32 1.445 1.955 0.676 1.00 10.00 H new ATOM 0 HZ PHE A 32 -0.639 0.750 0.151 1.00 10.00 H new ATOM 253 N LYS A 33 1.653 6.849 3.712 1.00 10.00 N ATOM 254 CA LYS A 33 2.883 7.611 3.870 1.00 10.00 C ATOM 255 C LYS A 33 3.960 6.984 2.995 1.00 10.00 C ATOM 256 O LYS A 33 4.504 5.926 3.321 1.00 10.00 O ATOM 257 CB LYS A 33 3.326 7.630 5.336 1.00 10.00 C ATOM 258 CG LYS A 33 4.681 8.284 5.551 1.00 10.00 C ATOM 259 CD LYS A 33 5.058 8.316 7.021 1.00 10.00 C ATOM 260 CE LYS A 33 6.540 8.593 7.205 1.00 10.00 C ATOM 261 NZ LYS A 33 6.897 8.743 8.639 1.00 10.00 N ATOM 0 H LYS A 33 1.594 6.020 4.303 1.00 10.00 H new ATOM 0 HA LYS A 33 2.714 8.643 3.564 1.00 10.00 H new ATOM 0 HB2 LYS A 33 2.578 8.159 5.927 1.00 10.00 H new ATOM 0 HB3 LYS A 33 3.362 6.607 5.710 1.00 10.00 H new ATOM 0 HG2 LYS A 33 5.442 7.740 4.991 1.00 10.00 H new ATOM 0 HG3 LYS A 33 4.662 9.300 5.157 1.00 10.00 H new ATOM 0 HD2 LYS A 33 4.476 9.084 7.531 1.00 10.00 H new ATOM 0 HD3 LYS A 33 4.804 7.363 7.485 1.00 10.00 H new ATOM 0 HE2 LYS A 33 7.119 7.779 6.769 1.00 10.00 H new ATOM 0 HE3 LYS A 33 6.810 9.501 6.666 1.00 10.00 H new ATOM 0 HZ1 LYS A 33 7.916 8.931 8.725 1.00 10.00 H new ATOM 0 HZ2 LYS A 33 6.363 9.536 9.049 1.00 10.00 H new ATOM 0 HZ3 LYS A 33 6.662 7.867 9.149 1.00 10.00 H new ATOM 275 N ILE A 34 4.234 7.612 1.861 1.00 10.00 N ATOM 276 CA ILE A 34 5.223 7.098 0.921 1.00 10.00 C ATOM 277 C ILE A 34 6.105 8.231 0.395 1.00 10.00 C ATOM 278 O ILE A 34 5.848 9.403 0.673 1.00 10.00 O ATOM 279 CB ILE A 34 4.534 6.359 -0.273 1.00 10.00 C ATOM 280 CG1 ILE A 34 4.430 7.265 -1.501 1.00 10.00 C ATOM 281 CG2 ILE A 34 3.149 5.868 0.119 1.00 10.00 C ATOM 282 CD1 ILE A 34 3.697 6.645 -2.671 1.00 10.00 C ATOM 0 H ILE A 34 3.785 8.480 1.568 1.00 10.00 H new ATOM 0 HA ILE A 34 5.848 6.382 1.455 1.00 10.00 H new ATOM 0 HB ILE A 34 5.157 5.501 -0.526 1.00 10.00 H new ATOM 0 HG12 ILE A 34 3.922 8.187 -1.216 1.00 10.00 H new ATOM 0 HG13 ILE A 34 5.435 7.540 -1.821 1.00 10.00 H new ATOM 0 HG21 ILE A 34 2.691 5.358 -0.728 1.00 10.00 H new ATOM 0 HG22 ILE A 34 3.232 5.177 0.958 1.00 10.00 H new ATOM 0 HG23 ILE A 34 2.530 6.717 0.409 1.00 10.00 H new ATOM 0 HD11 ILE A 34 3.668 7.353 -3.499 1.00 10.00 H new ATOM 0 HD12 ILE A 34 4.215 5.739 -2.986 1.00 10.00 H new ATOM 0 HD13 ILE A 34 2.679 6.396 -2.372 1.00 10.00 H new ATOM 294 N LYS A 35 7.155 7.886 -0.341 1.00 10.00 N ATOM 295 CA LYS A 35 8.037 8.889 -0.915 1.00 10.00 C ATOM 296 C LYS A 35 7.587 9.207 -2.338 1.00 10.00 C ATOM 297 O LYS A 35 6.904 8.403 -2.973 1.00 10.00 O ATOM 298 CB LYS A 35 9.489 8.416 -0.916 1.00 10.00 C ATOM 299 CG LYS A 35 10.189 8.587 0.422 1.00 10.00 C ATOM 300 CD LYS A 35 11.693 8.749 0.251 1.00 10.00 C ATOM 301 CE LYS A 35 12.400 8.858 1.591 1.00 10.00 C ATOM 302 NZ LYS A 35 12.539 7.540 2.261 1.00 10.00 N ATOM 0 H LYS A 35 7.414 6.922 -0.553 1.00 10.00 H new ATOM 0 HA LYS A 35 7.981 9.789 -0.303 1.00 10.00 H new ATOM 0 HB2 LYS A 35 9.519 7.364 -1.200 1.00 10.00 H new ATOM 0 HB3 LYS A 35 10.041 8.967 -1.678 1.00 10.00 H new ATOM 0 HG2 LYS A 35 9.785 9.459 0.936 1.00 10.00 H new ATOM 0 HG3 LYS A 35 9.985 7.722 1.053 1.00 10.00 H new ATOM 0 HD2 LYS A 35 12.090 7.898 -0.302 1.00 10.00 H new ATOM 0 HD3 LYS A 35 11.898 9.640 -0.343 1.00 10.00 H new ATOM 0 HE2 LYS A 35 13.388 9.295 1.444 1.00 10.00 H new ATOM 0 HE3 LYS A 35 11.845 9.536 2.239 1.00 10.00 H new ATOM 0 HZ1 LYS A 35 12.517 7.671 3.292 1.00 10.00 H new ATOM 0 HZ2 LYS A 35 11.755 6.920 1.974 1.00 10.00 H new ATOM 0 HZ3 LYS A 35 13.443 7.105 1.986 1.00 10.00 H new ATOM 316 N ARG A 36 7.994 10.357 -2.852 1.00 10.00 N ATOM 317 CA ARG A 36 7.597 10.778 -4.193 1.00 10.00 C ATOM 318 C ARG A 36 8.294 9.952 -5.276 1.00 10.00 C ATOM 319 O ARG A 36 7.978 10.076 -6.463 1.00 10.00 O ATOM 320 CB ARG A 36 7.879 12.272 -4.394 1.00 10.00 C ATOM 321 CG ARG A 36 7.133 13.166 -3.413 1.00 10.00 C ATOM 322 CD ARG A 36 7.280 14.639 -3.765 1.00 10.00 C ATOM 323 NE ARG A 36 6.378 15.042 -4.843 1.00 10.00 N ATOM 324 CZ ARG A 36 5.370 15.904 -4.697 1.00 10.00 C ATOM 325 NH1 ARG A 36 5.127 16.462 -3.514 1.00 10.00 N ATOM 326 NH2 ARG A 36 4.600 16.206 -5.734 1.00 10.00 N ATOM 0 H ARG A 36 8.599 11.018 -2.364 1.00 10.00 H new ATOM 0 HA ARG A 36 6.525 10.606 -4.286 1.00 10.00 H new ATOM 0 HB2 ARG A 36 8.950 12.449 -4.293 1.00 10.00 H new ATOM 0 HB3 ARG A 36 7.604 12.552 -5.411 1.00 10.00 H new ATOM 0 HG2 ARG A 36 6.077 12.897 -3.408 1.00 10.00 H new ATOM 0 HG3 ARG A 36 7.511 12.994 -2.405 1.00 10.00 H new ATOM 0 HD2 ARG A 36 7.080 15.244 -2.881 1.00 10.00 H new ATOM 0 HD3 ARG A 36 8.310 14.839 -4.061 1.00 10.00 H new ATOM 0 HE ARG A 36 6.529 14.638 -5.767 1.00 10.00 H new ATOM 0 HH11 ARG A 36 5.713 16.232 -2.711 1.00 10.00 H new ATOM 0 HH12 ARG A 36 4.355 17.120 -3.410 1.00 10.00 H new ATOM 0 HH21 ARG A 36 4.778 15.779 -6.643 1.00 10.00 H new ATOM 0 HH22 ARG A 36 3.829 16.865 -5.622 1.00 10.00 H new ATOM 340 N HIS A 37 9.238 9.111 -4.875 1.00 10.00 N ATOM 341 CA HIS A 37 9.955 8.270 -5.827 1.00 10.00 C ATOM 342 C HIS A 37 9.414 6.837 -5.798 1.00 10.00 C ATOM 343 O HIS A 37 9.802 5.997 -6.610 1.00 10.00 O ATOM 344 CB HIS A 37 11.470 8.283 -5.530 1.00 10.00 C ATOM 345 CG HIS A 37 11.913 7.283 -4.495 1.00 10.00 C ATOM 346 ND1 HIS A 37 11.889 7.371 -3.143 1.00 10.00 N flip ATOM 347 CD2 HIS A 37 12.425 6.057 -4.854 1.00 10.00 C flip ATOM 348 CE1 HIS A 37 12.376 6.186 -2.662 1.00 10.00 C flip ATOM 349 NE2 HIS A 37 12.688 5.429 -3.724 1.00 10.00 N flip ATOM 0 H HIS A 37 9.525 8.992 -3.903 1.00 10.00 H new ATOM 0 HA HIS A 37 9.797 8.675 -6.826 1.00 10.00 H new ATOM 0 HB2 HIS A 37 12.011 8.091 -6.457 1.00 10.00 H new ATOM 0 HB3 HIS A 37 11.753 9.281 -5.197 1.00 10.00 H new ATOM 0 HD2 HIS A 37 12.580 5.685 -5.856 1.00 10.00 H new ATOM 0 HE1 HIS A 37 12.488 5.912 -1.623 1.00 10.00 H new ATOM 0 HE2 HIS A 37 13.078 4.489 -3.666 1.00 10.00 H new ATOM 357 N THR A 38 8.502 6.579 -4.869 1.00 10.00 N ATOM 358 CA THR A 38 7.918 5.255 -4.702 1.00 10.00 C ATOM 359 C THR A 38 6.835 4.971 -5.745 1.00 10.00 C ATOM 360 O THR A 38 5.838 5.687 -5.821 1.00 10.00 O ATOM 361 CB THR A 38 7.320 5.113 -3.289 1.00 10.00 C ATOM 362 OG1 THR A 38 8.273 5.558 -2.316 1.00 10.00 O ATOM 363 CG2 THR A 38 6.932 3.672 -2.999 1.00 10.00 C ATOM 0 H THR A 38 8.148 7.277 -4.214 1.00 10.00 H new ATOM 0 HA THR A 38 8.718 4.528 -4.841 1.00 10.00 H new ATOM 0 HB THR A 38 6.421 5.727 -3.236 1.00 10.00 H new ATOM 0 HG1 THR A 38 8.042 5.187 -1.439 1.00 10.00 H new ATOM 0 HG21 THR A 38 6.513 3.603 -1.995 1.00 10.00 H new ATOM 0 HG22 THR A 38 6.189 3.342 -3.725 1.00 10.00 H new ATOM 0 HG23 THR A 38 7.815 3.036 -3.068 1.00 10.00 H new ATOM 371 N PRO A 39 7.029 3.925 -6.573 1.00 10.00 N ATOM 372 CA PRO A 39 6.059 3.537 -7.608 1.00 10.00 C ATOM 373 C PRO A 39 4.708 3.158 -7.006 1.00 10.00 C ATOM 374 O PRO A 39 4.645 2.657 -5.883 1.00 10.00 O ATOM 375 CB PRO A 39 6.711 2.322 -8.277 1.00 10.00 C ATOM 376 CG PRO A 39 8.152 2.401 -7.920 1.00 10.00 C ATOM 377 CD PRO A 39 8.212 3.049 -6.574 1.00 10.00 C ATOM 0 HA PRO A 39 5.849 4.351 -8.301 1.00 10.00 H new ATOM 0 HB2 PRO A 39 6.268 1.392 -7.920 1.00 10.00 H new ATOM 0 HB3 PRO A 39 6.572 2.347 -9.358 1.00 10.00 H new ATOM 0 HG2 PRO A 39 8.602 1.409 -7.895 1.00 10.00 H new ATOM 0 HG3 PRO A 39 8.705 2.983 -8.657 1.00 10.00 H new ATOM 0 HD2 PRO A 39 8.170 2.314 -5.770 1.00 10.00 H new ATOM 0 HD3 PRO A 39 9.133 3.616 -6.440 1.00 10.00 H new ATOM 385 N LEU A 40 3.635 3.366 -7.765 1.00 10.00 N ATOM 386 CA LEU A 40 2.283 3.078 -7.283 1.00 10.00 C ATOM 387 C LEU A 40 2.001 1.580 -7.178 1.00 10.00 C ATOM 388 O LEU A 40 0.969 1.179 -6.630 1.00 10.00 O ATOM 389 CB LEU A 40 1.243 3.743 -8.184 1.00 10.00 C ATOM 390 CG LEU A 40 1.048 5.241 -7.954 1.00 10.00 C ATOM 391 CD1 LEU A 40 0.083 5.810 -8.982 1.00 10.00 C ATOM 392 CD2 LEU A 40 0.546 5.507 -6.543 1.00 10.00 C ATOM 0 H LEU A 40 3.673 3.733 -8.716 1.00 10.00 H new ATOM 0 HA LEU A 40 2.214 3.491 -6.277 1.00 10.00 H new ATOM 0 HB2 LEU A 40 1.532 3.585 -9.223 1.00 10.00 H new ATOM 0 HB3 LEU A 40 0.286 3.242 -8.039 1.00 10.00 H new ATOM 0 HG LEU A 40 2.011 5.737 -8.070 1.00 10.00 H new ATOM 0 HD11 LEU A 40 -0.047 6.878 -8.807 1.00 10.00 H new ATOM 0 HD12 LEU A 40 0.484 5.653 -9.983 1.00 10.00 H new ATOM 0 HD13 LEU A 40 -0.880 5.308 -8.894 1.00 10.00 H new ATOM 0 HD21 LEU A 40 0.414 6.579 -6.400 1.00 10.00 H new ATOM 0 HD22 LEU A 40 -0.408 5.001 -6.395 1.00 10.00 H new ATOM 0 HD23 LEU A 40 1.272 5.132 -5.822 1.00 10.00 H new ATOM 404 N SER A 41 2.906 0.756 -7.693 1.00 10.00 N ATOM 405 CA SER A 41 2.741 -0.690 -7.625 1.00 10.00 C ATOM 406 C SER A 41 2.769 -1.143 -6.171 1.00 10.00 C ATOM 407 O SER A 41 2.052 -2.061 -5.768 1.00 10.00 O ATOM 408 CB SER A 41 3.856 -1.381 -8.410 1.00 10.00 C ATOM 409 OG SER A 41 5.106 -0.747 -8.174 1.00 10.00 O ATOM 0 H SER A 41 3.759 1.064 -8.161 1.00 10.00 H new ATOM 0 HA SER A 41 1.781 -0.961 -8.065 1.00 10.00 H new ATOM 0 HB2 SER A 41 3.915 -2.430 -8.120 1.00 10.00 H new ATOM 0 HB3 SER A 41 3.626 -1.357 -9.475 1.00 10.00 H new ATOM 0 HG SER A 41 5.807 -1.205 -8.684 1.00 10.00 H new ATOM 415 N LYS A 42 3.591 -0.460 -5.387 1.00 10.00 N ATOM 416 CA LYS A 42 3.736 -0.749 -3.975 1.00 10.00 C ATOM 417 C LYS A 42 2.426 -0.476 -3.244 1.00 10.00 C ATOM 418 O LYS A 42 1.995 -1.271 -2.417 1.00 10.00 O ATOM 419 CB LYS A 42 4.854 0.111 -3.393 1.00 10.00 C ATOM 420 CG LYS A 42 5.713 -0.603 -2.367 1.00 10.00 C ATOM 421 CD LYS A 42 6.796 0.318 -1.833 1.00 10.00 C ATOM 422 CE LYS A 42 7.865 -0.449 -1.075 1.00 10.00 C ATOM 423 NZ LYS A 42 8.800 -1.163 -1.985 1.00 10.00 N ATOM 0 H LYS A 42 4.174 0.309 -5.716 1.00 10.00 H new ATOM 0 HA LYS A 42 3.989 -1.802 -3.848 1.00 10.00 H new ATOM 0 HB2 LYS A 42 5.491 0.459 -4.206 1.00 10.00 H new ATOM 0 HB3 LYS A 42 4.415 0.995 -2.931 1.00 10.00 H new ATOM 0 HG2 LYS A 42 5.089 -0.953 -1.544 1.00 10.00 H new ATOM 0 HG3 LYS A 42 6.169 -1.484 -2.818 1.00 10.00 H new ATOM 0 HD2 LYS A 42 7.255 0.858 -2.661 1.00 10.00 H new ATOM 0 HD3 LYS A 42 6.348 1.063 -1.175 1.00 10.00 H new ATOM 0 HE2 LYS A 42 8.429 0.242 -0.448 1.00 10.00 H new ATOM 0 HE3 LYS A 42 7.389 -1.169 -0.409 1.00 10.00 H new ATOM 0 HZ1 LYS A 42 9.711 -1.306 -1.504 1.00 10.00 H new ATOM 0 HZ2 LYS A 42 8.396 -2.086 -2.243 1.00 10.00 H new ATOM 0 HZ3 LYS A 42 8.948 -0.597 -2.845 1.00 10.00 H new ATOM 437 N LEU A 43 1.797 0.645 -3.583 1.00 10.00 N ATOM 438 CA LEU A 43 0.526 1.048 -2.982 1.00 10.00 C ATOM 439 C LEU A 43 -0.539 -0.024 -3.184 1.00 10.00 C ATOM 440 O LEU A 43 -1.278 -0.369 -2.261 1.00 10.00 O ATOM 441 CB LEU A 43 0.051 2.357 -3.622 1.00 10.00 C ATOM 442 CG LEU A 43 -0.559 3.377 -2.661 1.00 10.00 C ATOM 443 CD1 LEU A 43 0.339 4.599 -2.536 1.00 10.00 C ATOM 444 CD2 LEU A 43 -1.946 3.783 -3.123 1.00 10.00 C ATOM 0 H LEU A 43 2.151 1.300 -4.280 1.00 10.00 H new ATOM 0 HA LEU A 43 0.681 1.187 -1.912 1.00 10.00 H new ATOM 0 HB2 LEU A 43 0.897 2.822 -4.128 1.00 10.00 H new ATOM 0 HB3 LEU A 43 -0.687 2.119 -4.388 1.00 10.00 H new ATOM 0 HG LEU A 43 -0.646 2.912 -1.679 1.00 10.00 H new ATOM 0 HD11 LEU A 43 -0.113 5.313 -1.848 1.00 10.00 H new ATOM 0 HD12 LEU A 43 1.315 4.296 -2.156 1.00 10.00 H new ATOM 0 HD13 LEU A 43 0.459 5.064 -3.515 1.00 10.00 H new ATOM 0 HD21 LEU A 43 -2.364 4.510 -2.426 1.00 10.00 H new ATOM 0 HD22 LEU A 43 -1.883 4.228 -4.116 1.00 10.00 H new ATOM 0 HD23 LEU A 43 -2.589 2.904 -3.159 1.00 10.00 H new ATOM 456 N MET A 44 -0.592 -0.557 -4.395 1.00 10.00 N ATOM 457 CA MET A 44 -1.568 -1.575 -4.754 1.00 10.00 C ATOM 458 C MET A 44 -1.355 -2.878 -3.982 1.00 10.00 C ATOM 459 O MET A 44 -2.312 -3.497 -3.521 1.00 10.00 O ATOM 460 CB MET A 44 -1.489 -1.837 -6.261 1.00 10.00 C ATOM 461 CG MET A 44 -2.564 -2.779 -6.784 1.00 10.00 C ATOM 462 SD MET A 44 -2.522 -2.955 -8.582 1.00 10.00 S ATOM 463 CE MET A 44 -2.864 -1.274 -9.100 1.00 10.00 C ATOM 0 H MET A 44 0.038 -0.297 -5.154 1.00 10.00 H new ATOM 0 HA MET A 44 -2.557 -1.204 -4.487 1.00 10.00 H new ATOM 0 HB2 MET A 44 -1.566 -0.886 -6.789 1.00 10.00 H new ATOM 0 HB3 MET A 44 -0.510 -2.254 -6.496 1.00 10.00 H new ATOM 0 HG2 MET A 44 -2.438 -3.759 -6.324 1.00 10.00 H new ATOM 0 HG3 MET A 44 -3.544 -2.409 -6.482 1.00 10.00 H new ATOM 0 HE1 MET A 44 -3.286 -1.282 -10.105 1.00 10.00 H new ATOM 0 HE2 MET A 44 -3.576 -0.819 -8.411 1.00 10.00 H new ATOM 0 HE3 MET A 44 -1.939 -0.698 -9.099 1.00 10.00 H new ATOM 473 N LYS A 45 -0.102 -3.280 -3.826 1.00 10.00 N ATOM 474 CA LYS A 45 0.217 -4.530 -3.141 1.00 10.00 C ATOM 475 C LYS A 45 0.231 -4.385 -1.618 1.00 10.00 C ATOM 476 O LYS A 45 -0.270 -5.256 -0.908 1.00 10.00 O ATOM 477 CB LYS A 45 1.568 -5.057 -3.620 1.00 10.00 C ATOM 478 CG LYS A 45 1.576 -5.475 -5.082 1.00 10.00 C ATOM 479 CD LYS A 45 2.942 -5.987 -5.510 1.00 10.00 C ATOM 480 CE LYS A 45 3.968 -4.866 -5.553 1.00 10.00 C ATOM 481 NZ LYS A 45 5.289 -5.339 -6.039 1.00 10.00 N ATOM 0 H LYS A 45 0.710 -2.763 -4.162 1.00 10.00 H new ATOM 0 HA LYS A 45 -0.573 -5.238 -3.390 1.00 10.00 H new ATOM 0 HB2 LYS A 45 2.324 -4.287 -3.467 1.00 10.00 H new ATOM 0 HB3 LYS A 45 1.854 -5.911 -3.005 1.00 10.00 H new ATOM 0 HG2 LYS A 45 0.829 -6.252 -5.243 1.00 10.00 H new ATOM 0 HG3 LYS A 45 1.293 -4.627 -5.705 1.00 10.00 H new ATOM 0 HD2 LYS A 45 3.275 -6.760 -4.818 1.00 10.00 H new ATOM 0 HD3 LYS A 45 2.866 -6.451 -6.494 1.00 10.00 H new ATOM 0 HE2 LYS A 45 3.607 -4.069 -6.203 1.00 10.00 H new ATOM 0 HE3 LYS A 45 4.080 -4.439 -4.557 1.00 10.00 H new ATOM 0 HZ1 LYS A 45 5.959 -4.544 -6.053 1.00 10.00 H new ATOM 0 HZ2 LYS A 45 5.647 -6.082 -5.405 1.00 10.00 H new ATOM 0 HZ3 LYS A 45 5.188 -5.723 -7.000 1.00 10.00 H new ATOM 495 N ALA A 46 0.794 -3.290 -1.119 1.00 10.00 N ATOM 496 CA ALA A 46 0.890 -3.065 0.324 1.00 10.00 C ATOM 497 C ALA A 46 -0.482 -3.029 0.990 1.00 10.00 C ATOM 498 O ALA A 46 -0.694 -3.663 2.028 1.00 10.00 O ATOM 499 CB ALA A 46 1.653 -1.783 0.617 1.00 10.00 C ATOM 0 H ALA A 46 1.191 -2.543 -1.689 1.00 10.00 H new ATOM 0 HA ALA A 46 1.437 -3.908 0.746 1.00 10.00 H new ATOM 0 HB1 ALA A 46 1.713 -1.634 1.695 1.00 10.00 H new ATOM 0 HB2 ALA A 46 2.659 -1.856 0.204 1.00 10.00 H new ATOM 0 HB3 ALA A 46 1.134 -0.939 0.162 1.00 10.00 H new ATOM 505 N TYR A 47 -1.415 -2.294 0.397 1.00 10.00 N ATOM 506 CA TYR A 47 -2.759 -2.191 0.948 1.00 10.00 C ATOM 507 C TYR A 47 -3.524 -3.496 0.739 1.00 10.00 C ATOM 508 O TYR A 47 -4.402 -3.847 1.530 1.00 10.00 O ATOM 509 CB TYR A 47 -3.510 -1.004 0.329 1.00 10.00 C ATOM 510 CG TYR A 47 -4.976 -0.928 0.705 1.00 10.00 C ATOM 511 CD1 TYR A 47 -5.966 -1.062 -0.260 1.00 10.00 C ATOM 512 CD2 TYR A 47 -5.370 -0.726 2.024 1.00 10.00 C ATOM 513 CE1 TYR A 47 -7.305 -0.999 0.075 1.00 10.00 C ATOM 514 CE2 TYR A 47 -6.707 -0.661 2.366 1.00 10.00 C ATOM 515 CZ TYR A 47 -7.670 -0.799 1.389 1.00 10.00 C ATOM 516 OH TYR A 47 -9.003 -0.742 1.730 1.00 10.00 O ATOM 0 H TYR A 47 -1.266 -1.763 -0.461 1.00 10.00 H new ATOM 0 HA TYR A 47 -2.680 -2.013 2.021 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -3.020 -0.080 0.635 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -3.428 -1.064 -0.756 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -5.684 -1.218 -1.291 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -4.619 -0.618 2.793 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -8.061 -1.106 -0.688 1.00 10.00 H new ATOM 0 HE2 TYR A 47 -6.997 -0.503 3.394 1.00 10.00 H new ATOM 0 HH TYR A 47 -9.088 -0.597 2.696 1.00 10.00 H new ATOM 526 N CYS A 48 -3.167 -4.226 -0.311 1.00 10.00 N ATOM 527 CA CYS A 48 -3.805 -5.500 -0.611 1.00 10.00 C ATOM 528 C CYS A 48 -3.555 -6.480 0.534 1.00 10.00 C ATOM 529 O CYS A 48 -4.437 -7.253 0.914 1.00 10.00 O ATOM 530 CB CYS A 48 -3.260 -6.069 -1.925 1.00 10.00 C ATOM 531 SG CYS A 48 -4.322 -7.307 -2.701 1.00 10.00 S ATOM 0 H CYS A 48 -2.437 -3.956 -0.970 1.00 10.00 H new ATOM 0 HA CYS A 48 -4.878 -5.345 -0.721 1.00 10.00 H new ATOM 0 HB2 CYS A 48 -3.107 -5.249 -2.626 1.00 10.00 H new ATOM 0 HB3 CYS A 48 -2.283 -6.513 -1.736 1.00 10.00 H new ATOM 0 HG CYS A 48 -4.315 -8.393 -1.987 1.00 10.00 H new ATOM 537 N GLU A 49 -2.351 -6.412 1.096 1.00 10.00 N ATOM 538 CA GLU A 49 -1.962 -7.268 2.210 1.00 10.00 C ATOM 539 C GLU A 49 -2.744 -6.900 3.469 1.00 10.00 C ATOM 540 O GLU A 49 -3.054 -7.759 4.292 1.00 10.00 O ATOM 541 CB GLU A 49 -0.461 -7.145 2.473 1.00 10.00 C ATOM 542 CG GLU A 49 0.411 -7.671 1.345 1.00 10.00 C ATOM 543 CD GLU A 49 0.259 -9.163 1.138 1.00 10.00 C ATOM 544 OE1 GLU A 49 0.691 -9.935 2.018 1.00 10.00 O ATOM 545 OE2 GLU A 49 -0.289 -9.572 0.091 1.00 10.00 O ATOM 0 H GLU A 49 -1.622 -5.766 0.793 1.00 10.00 H new ATOM 0 HA GLU A 49 -2.192 -8.300 1.946 1.00 10.00 H new ATOM 0 HB2 GLU A 49 -0.218 -6.097 2.647 1.00 10.00 H new ATOM 0 HB3 GLU A 49 -0.218 -7.685 3.388 1.00 10.00 H new ATOM 0 HG2 GLU A 49 0.156 -7.152 0.421 1.00 10.00 H new ATOM 0 HG3 GLU A 49 1.455 -7.442 1.561 1.00 10.00 H new ATOM 552 N ARG A 50 -3.076 -5.619 3.598 1.00 10.00 N ATOM 553 CA ARG A 50 -3.825 -5.128 4.752 1.00 10.00 C ATOM 554 C ARG A 50 -5.255 -5.665 4.735 1.00 10.00 C ATOM 555 O ARG A 50 -5.904 -5.780 5.776 1.00 10.00 O ATOM 556 CB ARG A 50 -3.842 -3.596 4.771 1.00 10.00 C ATOM 557 CG ARG A 50 -2.506 -2.967 5.146 1.00 10.00 C ATOM 558 CD ARG A 50 -2.337 -2.861 6.653 1.00 10.00 C ATOM 559 NE ARG A 50 -1.124 -2.127 7.021 1.00 10.00 N ATOM 560 CZ ARG A 50 -1.122 -0.973 7.702 1.00 10.00 C ATOM 561 NH1 ARG A 50 -2.264 -0.415 8.088 1.00 10.00 N ATOM 562 NH2 ARG A 50 0.025 -0.369 7.992 1.00 10.00 N ATOM 0 H ARG A 50 -2.838 -4.899 2.916 1.00 10.00 H new ATOM 0 HA ARG A 50 -3.328 -5.485 5.654 1.00 10.00 H new ATOM 0 HB2 ARG A 50 -4.139 -3.234 3.787 1.00 10.00 H new ATOM 0 HB3 ARG A 50 -4.601 -3.260 5.477 1.00 10.00 H new ATOM 0 HG2 ARG A 50 -1.694 -3.563 4.730 1.00 10.00 H new ATOM 0 HG3 ARG A 50 -2.433 -1.975 4.701 1.00 10.00 H new ATOM 0 HD2 ARG A 50 -3.206 -2.361 7.081 1.00 10.00 H new ATOM 0 HD3 ARG A 50 -2.300 -3.861 7.084 1.00 10.00 H new ATOM 0 HE ARG A 50 -0.225 -2.519 6.741 1.00 10.00 H new ATOM 0 HH11 ARG A 50 -3.152 -0.865 7.866 1.00 10.00 H new ATOM 0 HH12 ARG A 50 -2.253 0.464 8.606 1.00 10.00 H new ATOM 0 HH21 ARG A 50 0.909 -0.784 7.696 1.00 10.00 H new ATOM 0 HH22 ARG A 50 0.022 0.509 8.511 1.00 10.00 H new ATOM 576 N GLN A 51 -5.745 -5.990 3.547 1.00 10.00 N ATOM 577 CA GLN A 51 -7.094 -6.521 3.399 1.00 10.00 C ATOM 578 C GLN A 51 -7.062 -8.040 3.315 1.00 10.00 C ATOM 579 O GLN A 51 -8.069 -8.708 3.551 1.00 10.00 O ATOM 580 CB GLN A 51 -7.762 -5.937 2.153 1.00 10.00 C ATOM 581 CG GLN A 51 -7.953 -4.430 2.215 1.00 10.00 C ATOM 582 CD GLN A 51 -8.782 -3.996 3.408 1.00 10.00 C ATOM 583 OE1 GLN A 51 -8.251 -3.742 4.490 1.00 10.00 O ATOM 584 NE2 GLN A 51 -10.088 -3.910 3.220 1.00 10.00 N ATOM 0 H GLN A 51 -5.230 -5.896 2.672 1.00 10.00 H new ATOM 0 HA GLN A 51 -7.676 -6.234 4.275 1.00 10.00 H new ATOM 0 HB2 GLN A 51 -7.159 -6.183 1.279 1.00 10.00 H new ATOM 0 HB3 GLN A 51 -8.733 -6.413 2.015 1.00 10.00 H new ATOM 0 HG2 GLN A 51 -6.978 -3.945 2.259 1.00 10.00 H new ATOM 0 HG3 GLN A 51 -8.436 -4.091 1.299 1.00 10.00 H new ATOM 0 HE21 GLN A 51 -10.487 -4.129 2.307 1.00 10.00 H new ATOM 0 HE22 GLN A 51 -10.696 -3.624 3.988 1.00 10.00 H new ATOM 593 N GLY A 52 -5.896 -8.575 2.981 1.00 10.00 N ATOM 594 CA GLY A 52 -5.733 -10.010 2.866 1.00 10.00 C ATOM 595 C GLY A 52 -6.484 -10.571 1.678 1.00 10.00 C ATOM 596 O GLY A 52 -7.182 -11.578 1.791 1.00 10.00 O ATOM 0 H GLY A 52 -5.053 -8.035 2.786 1.00 10.00 H new ATOM 0 HA2 GLY A 52 -4.674 -10.248 2.771 1.00 10.00 H new ATOM 0 HA3 GLY A 52 -6.087 -10.490 3.779 1.00 10.00 H new ATOM 600 N LEU A 53 -6.345 -9.914 0.535 1.00 10.00 N ATOM 601 CA LEU A 53 -7.019 -10.344 -0.683 1.00 10.00 C ATOM 602 C LEU A 53 -6.040 -10.391 -1.847 1.00 10.00 C ATOM 603 O LEU A 53 -4.856 -10.091 -1.684 1.00 10.00 O ATOM 604 CB LEU A 53 -8.178 -9.400 -1.014 1.00 10.00 C ATOM 605 CG LEU A 53 -9.340 -9.423 -0.018 1.00 10.00 C ATOM 606 CD1 LEU A 53 -10.287 -8.266 -0.280 1.00 10.00 C ATOM 607 CD2 LEU A 53 -10.085 -10.748 -0.089 1.00 10.00 C ATOM 0 H LEU A 53 -5.770 -9.079 0.425 1.00 10.00 H new ATOM 0 HA LEU A 53 -7.416 -11.346 -0.518 1.00 10.00 H new ATOM 0 HB2 LEU A 53 -7.791 -8.383 -1.074 1.00 10.00 H new ATOM 0 HB3 LEU A 53 -8.562 -9.654 -2.002 1.00 10.00 H new ATOM 0 HG LEU A 53 -8.931 -9.315 0.987 1.00 10.00 H new ATOM 0 HD11 LEU A 53 -11.107 -8.298 0.437 1.00 10.00 H new ATOM 0 HD12 LEU A 53 -9.749 -7.324 -0.174 1.00 10.00 H new ATOM 0 HD13 LEU A 53 -10.686 -8.344 -1.291 1.00 10.00 H new ATOM 0 HD21 LEU A 53 -10.907 -10.742 0.627 1.00 10.00 H new ATOM 0 HD22 LEU A 53 -10.481 -10.889 -1.095 1.00 10.00 H new ATOM 0 HD23 LEU A 53 -9.402 -11.563 0.149 1.00 10.00 H new ATOM 619 N SER A 54 -6.539 -10.766 -3.017 1.00 10.00 N ATOM 620 CA SER A 54 -5.709 -10.846 -4.205 1.00 10.00 C ATOM 621 C SER A 54 -5.768 -9.543 -4.992 1.00 10.00 C ATOM 622 O SER A 54 -6.812 -8.888 -5.062 1.00 10.00 O ATOM 623 CB SER A 54 -6.150 -12.013 -5.091 1.00 10.00 C ATOM 624 OG SER A 54 -5.320 -12.129 -6.239 1.00 10.00 O ATOM 0 H SER A 54 -7.516 -11.019 -3.166 1.00 10.00 H new ATOM 0 HA SER A 54 -4.680 -11.015 -3.888 1.00 10.00 H new ATOM 0 HB2 SER A 54 -6.116 -12.940 -4.519 1.00 10.00 H new ATOM 0 HB3 SER A 54 -7.185 -11.867 -5.400 1.00 10.00 H new ATOM 0 HG SER A 54 -5.623 -12.883 -6.787 1.00 10.00 H new ATOM 630 N MET A 55 -4.644 -9.186 -5.596 1.00 10.00 N ATOM 631 CA MET A 55 -4.529 -7.974 -6.393 1.00 10.00 C ATOM 632 C MET A 55 -5.370 -8.084 -7.665 1.00 10.00 C ATOM 633 O MET A 55 -5.670 -7.087 -8.320 1.00 10.00 O ATOM 634 CB MET A 55 -3.060 -7.739 -6.747 1.00 10.00 C ATOM 635 CG MET A 55 -2.785 -6.401 -7.405 1.00 10.00 C ATOM 636 SD MET A 55 -1.047 -6.194 -7.849 1.00 10.00 S ATOM 637 CE MET A 55 -0.836 -7.552 -8.998 1.00 10.00 C ATOM 0 H MET A 55 -3.783 -9.731 -5.547 1.00 10.00 H new ATOM 0 HA MET A 55 -4.902 -7.130 -5.813 1.00 10.00 H new ATOM 0 HB2 MET A 55 -2.463 -7.814 -5.838 1.00 10.00 H new ATOM 0 HB3 MET A 55 -2.727 -8.534 -7.414 1.00 10.00 H new ATOM 0 HG2 MET A 55 -3.399 -6.307 -8.301 1.00 10.00 H new ATOM 0 HG3 MET A 55 -3.082 -5.599 -6.729 1.00 10.00 H new ATOM 0 HE1 MET A 55 0.028 -7.359 -9.634 1.00 10.00 H new ATOM 0 HE2 MET A 55 -0.679 -8.477 -8.443 1.00 10.00 H new ATOM 0 HE3 MET A 55 -1.728 -7.647 -9.617 1.00 10.00 H new ATOM 647 N ARG A 56 -5.758 -9.310 -7.997 1.00 10.00 N ATOM 648 CA ARG A 56 -6.564 -9.562 -9.183 1.00 10.00 C ATOM 649 C ARG A 56 -8.054 -9.537 -8.829 1.00 10.00 C ATOM 650 O ARG A 56 -8.913 -9.760 -9.681 1.00 10.00 O ATOM 651 CB ARG A 56 -6.180 -10.912 -9.799 1.00 10.00 C ATOM 652 CG ARG A 56 -6.688 -11.109 -11.219 1.00 10.00 C ATOM 653 CD ARG A 56 -6.305 -12.476 -11.767 1.00 10.00 C ATOM 654 NE ARG A 56 -7.174 -12.886 -12.870 1.00 10.00 N ATOM 655 CZ ARG A 56 -6.978 -12.556 -14.148 1.00 10.00 C ATOM 656 NH1 ARG A 56 -5.943 -11.799 -14.498 1.00 10.00 N ATOM 657 NH2 ARG A 56 -7.821 -12.986 -15.077 1.00 10.00 N ATOM 0 H ARG A 56 -5.526 -10.146 -7.460 1.00 10.00 H new ATOM 0 HA ARG A 56 -6.372 -8.777 -9.914 1.00 10.00 H new ATOM 0 HB2 ARG A 56 -5.094 -11.006 -9.796 1.00 10.00 H new ATOM 0 HB3 ARG A 56 -6.571 -11.712 -9.170 1.00 10.00 H new ATOM 0 HG2 ARG A 56 -7.772 -11.000 -11.236 1.00 10.00 H new ATOM 0 HG3 ARG A 56 -6.279 -10.331 -11.863 1.00 10.00 H new ATOM 0 HD2 ARG A 56 -5.271 -12.453 -12.110 1.00 10.00 H new ATOM 0 HD3 ARG A 56 -6.360 -13.215 -10.968 1.00 10.00 H new ATOM 0 HE ARG A 56 -7.985 -13.463 -12.647 1.00 10.00 H new ATOM 0 HH11 ARG A 56 -5.291 -11.466 -13.787 1.00 10.00 H new ATOM 0 HH12 ARG A 56 -5.800 -11.551 -15.477 1.00 10.00 H new ATOM 0 HH21 ARG A 56 -8.617 -13.567 -14.814 1.00 10.00 H new ATOM 0 HH22 ARG A 56 -7.674 -12.735 -16.055 1.00 10.00 H new ATOM 671 N GLN A 57 -8.354 -9.259 -7.570 1.00 10.00 N ATOM 672 CA GLN A 57 -9.737 -9.207 -7.112 1.00 10.00 C ATOM 673 C GLN A 57 -10.166 -7.765 -6.859 1.00 10.00 C ATOM 674 O GLN A 57 -11.340 -7.420 -6.998 1.00 10.00 O ATOM 675 CB GLN A 57 -9.905 -10.032 -5.837 1.00 10.00 C ATOM 676 CG GLN A 57 -11.348 -10.148 -5.373 1.00 10.00 C ATOM 677 CD GLN A 57 -11.466 -10.686 -3.963 1.00 10.00 C ATOM 678 OE1 GLN A 57 -10.617 -11.449 -3.503 1.00 10.00 O ATOM 679 NE2 GLN A 57 -12.520 -10.288 -3.269 1.00 10.00 N ATOM 0 H GLN A 57 -7.661 -9.066 -6.847 1.00 10.00 H new ATOM 0 HA GLN A 57 -10.371 -9.627 -7.892 1.00 10.00 H new ATOM 0 HB2 GLN A 57 -9.505 -11.032 -6.006 1.00 10.00 H new ATOM 0 HB3 GLN A 57 -9.311 -9.581 -5.042 1.00 10.00 H new ATOM 0 HG2 GLN A 57 -11.822 -9.168 -5.424 1.00 10.00 H new ATOM 0 HG3 GLN A 57 -11.893 -10.802 -6.054 1.00 10.00 H new ATOM 0 HE21 GLN A 57 -13.199 -9.654 -3.691 1.00 10.00 H new ATOM 0 HE22 GLN A 57 -12.654 -10.615 -2.312 1.00 10.00 H new ATOM 688 N ILE A 58 -9.214 -6.926 -6.484 1.00 10.00 N ATOM 689 CA ILE A 58 -9.500 -5.527 -6.210 1.00 10.00 C ATOM 690 C ILE A 58 -8.882 -4.633 -7.274 1.00 10.00 C ATOM 691 O ILE A 58 -7.751 -4.853 -7.705 1.00 10.00 O ATOM 692 CB ILE A 58 -8.993 -5.096 -4.817 1.00 10.00 C ATOM 693 CG1 ILE A 58 -7.571 -5.612 -4.575 1.00 10.00 C ATOM 694 CG2 ILE A 58 -9.942 -5.594 -3.735 1.00 10.00 C ATOM 695 CD1 ILE A 58 -6.992 -5.191 -3.241 1.00 10.00 C ATOM 0 H ILE A 58 -8.236 -7.189 -6.362 1.00 10.00 H new ATOM 0 HA ILE A 58 -10.584 -5.416 -6.227 1.00 10.00 H new ATOM 0 HB ILE A 58 -8.966 -4.007 -4.778 1.00 10.00 H new ATOM 0 HG12 ILE A 58 -7.574 -6.700 -4.633 1.00 10.00 H new ATOM 0 HG13 ILE A 58 -6.922 -5.252 -5.373 1.00 10.00 H new ATOM 0 HG21 ILE A 58 -9.574 -5.284 -2.757 1.00 10.00 H new ATOM 0 HG22 ILE A 58 -10.934 -5.173 -3.899 1.00 10.00 H new ATOM 0 HG23 ILE A 58 -9.998 -6.682 -3.773 1.00 10.00 H new ATOM 0 HD11 ILE A 58 -5.984 -5.592 -3.139 1.00 10.00 H new ATOM 0 HD12 ILE A 58 -6.957 -4.103 -3.187 1.00 10.00 H new ATOM 0 HD13 ILE A 58 -7.618 -5.574 -2.435 1.00 10.00 H new ATOM 707 N ARG A 59 -9.636 -3.636 -7.703 1.00 10.00 N ATOM 708 CA ARG A 59 -9.173 -2.705 -8.722 1.00 10.00 C ATOM 709 C ARG A 59 -9.086 -1.303 -8.140 1.00 10.00 C ATOM 710 O ARG A 59 -9.902 -0.922 -7.303 1.00 10.00 O ATOM 711 CB ARG A 59 -10.114 -2.718 -9.931 1.00 10.00 C ATOM 712 CG ARG A 59 -10.168 -4.056 -10.650 1.00 10.00 C ATOM 713 CD ARG A 59 -8.798 -4.471 -11.162 1.00 10.00 C ATOM 714 NE ARG A 59 -8.835 -5.744 -11.878 1.00 10.00 N ATOM 715 CZ ARG A 59 -7.801 -6.250 -12.550 1.00 10.00 C ATOM 716 NH1 ARG A 59 -6.642 -5.599 -12.590 1.00 10.00 N ATOM 717 NH2 ARG A 59 -7.919 -7.415 -13.174 1.00 10.00 N ATOM 0 H ARG A 59 -10.578 -3.448 -7.360 1.00 10.00 H new ATOM 0 HA ARG A 59 -8.182 -3.015 -9.054 1.00 10.00 H new ATOM 0 HB2 ARG A 59 -11.118 -2.452 -9.601 1.00 10.00 H new ATOM 0 HB3 ARG A 59 -9.796 -1.950 -10.636 1.00 10.00 H new ATOM 0 HG2 ARG A 59 -10.550 -4.819 -9.972 1.00 10.00 H new ATOM 0 HG3 ARG A 59 -10.866 -3.993 -11.485 1.00 10.00 H new ATOM 0 HD2 ARG A 59 -8.410 -3.696 -11.823 1.00 10.00 H new ATOM 0 HD3 ARG A 59 -8.107 -4.549 -10.322 1.00 10.00 H new ATOM 0 HE ARG A 59 -9.704 -6.278 -11.863 1.00 10.00 H new ATOM 0 HH11 ARG A 59 -6.541 -4.708 -12.105 1.00 10.00 H new ATOM 0 HH12 ARG A 59 -5.854 -5.991 -13.106 1.00 10.00 H new ATOM 0 HH21 ARG A 59 -8.802 -7.925 -13.140 1.00 10.00 H new ATOM 0 HH22 ARG A 59 -7.127 -7.801 -13.688 1.00 10.00 H new ATOM 731 N PHE A 60 -8.102 -0.538 -8.582 1.00 10.00 N ATOM 732 CA PHE A 60 -7.914 0.815 -8.082 1.00 10.00 C ATOM 733 C PHE A 60 -8.031 1.829 -9.211 1.00 10.00 C ATOM 734 O PHE A 60 -7.550 1.596 -10.322 1.00 10.00 O ATOM 735 CB PHE A 60 -6.553 0.936 -7.399 1.00 10.00 C ATOM 736 CG PHE A 60 -6.403 0.023 -6.216 1.00 10.00 C ATOM 737 CD1 PHE A 60 -5.860 -1.243 -6.363 1.00 10.00 C ATOM 738 CD2 PHE A 60 -6.807 0.433 -4.956 1.00 10.00 C ATOM 739 CE1 PHE A 60 -5.724 -2.084 -5.275 1.00 10.00 C ATOM 740 CE2 PHE A 60 -6.674 -0.403 -3.865 1.00 10.00 C ATOM 741 CZ PHE A 60 -6.132 -1.662 -4.025 1.00 10.00 C ATOM 0 H PHE A 60 -7.422 -0.829 -9.284 1.00 10.00 H new ATOM 0 HA PHE A 60 -8.696 1.026 -7.353 1.00 10.00 H new ATOM 0 HB2 PHE A 60 -5.769 0.714 -8.123 1.00 10.00 H new ATOM 0 HB3 PHE A 60 -6.406 1.967 -7.076 1.00 10.00 H new ATOM 0 HD1 PHE A 60 -5.539 -1.576 -7.339 1.00 10.00 H new ATOM 0 HD2 PHE A 60 -7.231 1.418 -4.825 1.00 10.00 H new ATOM 0 HE1 PHE A 60 -5.300 -3.069 -5.402 1.00 10.00 H new ATOM 0 HE2 PHE A 60 -6.994 -0.072 -2.888 1.00 10.00 H new ATOM 0 HZ PHE A 60 -6.027 -2.317 -3.173 1.00 10.00 H new ATOM 751 N ARG A 61 -8.672 2.953 -8.927 1.00 10.00 N ATOM 752 CA ARG A 61 -8.860 3.988 -9.930 1.00 10.00 C ATOM 753 C ARG A 61 -8.424 5.356 -9.425 1.00 10.00 C ATOM 754 O ARG A 61 -8.576 5.678 -8.243 1.00 10.00 O ATOM 755 CB ARG A 61 -10.321 4.045 -10.371 1.00 10.00 C ATOM 756 CG ARG A 61 -10.716 2.905 -11.292 1.00 10.00 C ATOM 757 CD ARG A 61 -12.080 3.131 -11.914 1.00 10.00 C ATOM 758 NE ARG A 61 -12.342 2.183 -12.994 1.00 10.00 N ATOM 759 CZ ARG A 61 -13.378 2.261 -13.822 1.00 10.00 C ATOM 760 NH1 ARG A 61 -14.265 3.243 -13.695 1.00 10.00 N ATOM 761 NH2 ARG A 61 -13.524 1.358 -14.781 1.00 10.00 N ATOM 0 H ARG A 61 -9.069 3.170 -8.013 1.00 10.00 H new ATOM 0 HA ARG A 61 -8.232 3.728 -10.782 1.00 10.00 H new ATOM 0 HB2 ARG A 61 -10.960 4.028 -9.488 1.00 10.00 H new ATOM 0 HB3 ARG A 61 -10.503 4.992 -10.878 1.00 10.00 H new ATOM 0 HG2 ARG A 61 -9.970 2.799 -12.080 1.00 10.00 H new ATOM 0 HG3 ARG A 61 -10.722 1.970 -10.731 1.00 10.00 H new ATOM 0 HD2 ARG A 61 -12.850 3.034 -11.149 1.00 10.00 H new ATOM 0 HD3 ARG A 61 -12.141 4.149 -12.300 1.00 10.00 H new ATOM 0 HE ARG A 61 -11.687 1.411 -13.121 1.00 10.00 H new ATOM 0 HH11 ARG A 61 -14.152 3.941 -12.960 1.00 10.00 H new ATOM 0 HH12 ARG A 61 -15.059 3.299 -14.333 1.00 10.00 H new ATOM 0 HH21 ARG A 61 -12.842 0.606 -14.882 1.00 10.00 H new ATOM 0 HH22 ARG A 61 -14.318 1.415 -15.418 1.00 10.00 H new ATOM 775 N PHE A 62 -7.886 6.149 -10.337 1.00 10.00 N ATOM 776 CA PHE A 62 -7.430 7.495 -10.037 1.00 10.00 C ATOM 777 C PHE A 62 -7.750 8.401 -11.221 1.00 10.00 C ATOM 778 O PHE A 62 -7.535 8.012 -12.369 1.00 10.00 O ATOM 779 CB PHE A 62 -5.923 7.505 -9.754 1.00 10.00 C ATOM 780 CG PHE A 62 -5.357 8.882 -9.539 1.00 10.00 C ATOM 781 CD1 PHE A 62 -5.568 9.554 -8.345 1.00 10.00 C ATOM 782 CD2 PHE A 62 -4.613 9.504 -10.531 1.00 10.00 C ATOM 783 CE1 PHE A 62 -5.051 10.817 -8.147 1.00 10.00 C ATOM 784 CE2 PHE A 62 -4.094 10.770 -10.335 1.00 10.00 C ATOM 785 CZ PHE A 62 -4.313 11.427 -9.141 1.00 10.00 C ATOM 0 H PHE A 62 -7.753 5.875 -11.311 1.00 10.00 H new ATOM 0 HA PHE A 62 -7.942 7.859 -9.146 1.00 10.00 H new ATOM 0 HB2 PHE A 62 -5.724 6.898 -8.871 1.00 10.00 H new ATOM 0 HB3 PHE A 62 -5.403 7.034 -10.588 1.00 10.00 H new ATOM 0 HD1 PHE A 62 -6.143 9.083 -7.562 1.00 10.00 H new ATOM 0 HD2 PHE A 62 -4.437 8.994 -11.466 1.00 10.00 H new ATOM 0 HE1 PHE A 62 -5.224 11.330 -7.212 1.00 10.00 H new ATOM 0 HE2 PHE A 62 -3.518 11.245 -11.115 1.00 10.00 H new ATOM 0 HZ PHE A 62 -3.908 12.416 -8.985 1.00 10.00 H new ATOM 795 N ASP A 63 -8.295 9.581 -10.937 1.00 10.00 N ATOM 796 CA ASP A 63 -8.665 10.550 -11.977 1.00 10.00 C ATOM 797 C ASP A 63 -9.696 9.948 -12.932 1.00 10.00 C ATOM 798 O ASP A 63 -9.781 10.320 -14.101 1.00 10.00 O ATOM 799 CB ASP A 63 -7.425 11.022 -12.752 1.00 10.00 C ATOM 800 CG ASP A 63 -7.593 12.415 -13.330 1.00 10.00 C ATOM 801 OD1 ASP A 63 -7.377 13.399 -12.593 1.00 10.00 O ATOM 802 OD2 ASP A 63 -7.931 12.535 -14.525 1.00 10.00 O ATOM 0 H ASP A 63 -8.494 9.896 -9.987 1.00 10.00 H new ATOM 0 HA ASP A 63 -9.111 11.416 -11.488 1.00 10.00 H new ATOM 0 HB2 ASP A 63 -6.560 11.010 -12.089 1.00 10.00 H new ATOM 0 HB3 ASP A 63 -7.217 10.320 -13.560 1.00 10.00 H new ATOM 807 N GLY A 64 -10.479 9.004 -12.417 1.00 10.00 N ATOM 808 CA GLY A 64 -11.498 8.354 -13.220 1.00 10.00 C ATOM 809 C GLY A 64 -10.939 7.299 -14.155 1.00 10.00 C ATOM 810 O GLY A 64 -11.661 6.770 -15.002 1.00 10.00 O ATOM 0 H GLY A 64 -10.424 8.677 -11.452 1.00 10.00 H new ATOM 0 HA2 GLY A 64 -12.232 7.893 -12.560 1.00 10.00 H new ATOM 0 HA3 GLY A 64 -12.025 9.107 -13.806 1.00 10.00 H new ATOM 814 N GLN A 65 -9.662 6.984 -14.010 1.00 10.00 N ATOM 815 CA GLN A 65 -9.026 5.988 -14.860 1.00 10.00 C ATOM 816 C GLN A 65 -8.391 4.877 -14.025 1.00 10.00 C ATOM 817 O GLN A 65 -7.980 5.111 -12.889 1.00 10.00 O ATOM 818 CB GLN A 65 -7.957 6.650 -15.734 1.00 10.00 C ATOM 819 CG GLN A 65 -8.522 7.567 -16.808 1.00 10.00 C ATOM 820 CD GLN A 65 -9.308 6.813 -17.864 1.00 10.00 C ATOM 821 OE1 GLN A 65 -8.744 6.326 -18.841 1.00 10.00 O ATOM 822 NE2 GLN A 65 -10.614 6.714 -17.676 1.00 10.00 N ATOM 0 H GLN A 65 -9.046 7.402 -13.313 1.00 10.00 H new ATOM 0 HA GLN A 65 -9.794 5.546 -15.495 1.00 10.00 H new ATOM 0 HB2 GLN A 65 -7.285 7.224 -15.097 1.00 10.00 H new ATOM 0 HB3 GLN A 65 -7.359 5.873 -16.211 1.00 10.00 H new ATOM 0 HG2 GLN A 65 -9.168 8.311 -16.342 1.00 10.00 H new ATOM 0 HG3 GLN A 65 -7.705 8.108 -17.286 1.00 10.00 H new ATOM 0 HE21 GLN A 65 -11.044 7.133 -16.851 1.00 10.00 H new ATOM 0 HE22 GLN A 65 -11.191 6.219 -18.356 1.00 10.00 H new ATOM 831 N PRO A 66 -8.329 3.647 -14.563 1.00 10.00 N ATOM 832 CA PRO A 66 -7.717 2.511 -13.865 1.00 10.00 C ATOM 833 C PRO A 66 -6.207 2.684 -13.733 1.00 10.00 C ATOM 834 O PRO A 66 -5.536 3.102 -14.681 1.00 10.00 O ATOM 835 CB PRO A 66 -8.034 1.306 -14.765 1.00 10.00 C ATOM 836 CG PRO A 66 -9.083 1.780 -15.714 1.00 10.00 C ATOM 837 CD PRO A 66 -8.861 3.255 -15.878 1.00 10.00 C ATOM 0 HA PRO A 66 -8.099 2.403 -12.850 1.00 10.00 H new ATOM 0 HB2 PRO A 66 -7.145 0.971 -15.299 1.00 10.00 H new ATOM 0 HB3 PRO A 66 -8.390 0.460 -14.177 1.00 10.00 H new ATOM 0 HG2 PRO A 66 -9.003 1.265 -16.671 1.00 10.00 H new ATOM 0 HG3 PRO A 66 -10.081 1.577 -15.325 1.00 10.00 H new ATOM 0 HD2 PRO A 66 -8.157 3.472 -16.681 1.00 10.00 H new ATOM 0 HD3 PRO A 66 -9.786 3.781 -16.114 1.00 10.00 H new ATOM 845 N ILE A 67 -5.679 2.370 -12.558 1.00 10.00 N ATOM 846 CA ILE A 67 -4.252 2.501 -12.305 1.00 10.00 C ATOM 847 C ILE A 67 -3.503 1.257 -12.767 1.00 10.00 C ATOM 848 O ILE A 67 -3.875 0.131 -12.427 1.00 10.00 O ATOM 849 CB ILE A 67 -3.958 2.735 -10.806 1.00 10.00 C ATOM 850 CG1 ILE A 67 -4.811 3.883 -10.267 1.00 10.00 C ATOM 851 CG2 ILE A 67 -2.480 3.030 -10.591 1.00 10.00 C ATOM 852 CD1 ILE A 67 -4.738 4.039 -8.764 1.00 10.00 C ATOM 0 H ILE A 67 -6.218 2.023 -11.765 1.00 10.00 H new ATOM 0 HA ILE A 67 -3.909 3.367 -12.871 1.00 10.00 H new ATOM 0 HB ILE A 67 -4.213 1.826 -10.261 1.00 10.00 H new ATOM 0 HG12 ILE A 67 -4.491 4.813 -10.736 1.00 10.00 H new ATOM 0 HG13 ILE A 67 -5.849 3.720 -10.557 1.00 10.00 H new ATOM 0 HG21 ILE A 67 -2.292 3.192 -9.530 1.00 10.00 H new ATOM 0 HG22 ILE A 67 -1.886 2.185 -10.940 1.00 10.00 H new ATOM 0 HG23 ILE A 67 -2.202 3.924 -11.149 1.00 10.00 H new ATOM 0 HD11 ILE A 67 -5.368 4.873 -8.454 1.00 10.00 H new ATOM 0 HD12 ILE A 67 -5.086 3.123 -8.286 1.00 10.00 H new ATOM 0 HD13 ILE A 67 -3.707 4.234 -8.468 1.00 10.00 H new ATOM 864 N ASN A 68 -2.452 1.465 -13.540 1.00 10.00 N ATOM 865 CA ASN A 68 -1.641 0.367 -14.039 1.00 10.00 C ATOM 866 C ASN A 68 -0.551 0.053 -13.027 1.00 10.00 C ATOM 867 O ASN A 68 -0.274 0.862 -12.141 1.00 10.00 O ATOM 868 CB ASN A 68 -1.017 0.717 -15.392 1.00 10.00 C ATOM 869 CG ASN A 68 -2.041 1.171 -16.413 1.00 10.00 C ATOM 870 OD1 ASN A 68 -2.644 0.356 -17.113 1.00 10.00 O ATOM 871 ND2 ASN A 68 -2.249 2.475 -16.498 1.00 10.00 N ATOM 0 H ASN A 68 -2.138 2.389 -13.837 1.00 10.00 H new ATOM 0 HA ASN A 68 -2.278 -0.507 -14.179 1.00 10.00 H new ATOM 0 HB2 ASN A 68 -0.277 1.505 -15.252 1.00 10.00 H new ATOM 0 HB3 ASN A 68 -0.487 -0.154 -15.778 1.00 10.00 H new ATOM 0 HD21 ASN A 68 -2.931 2.840 -17.163 1.00 10.00 H new ATOM 0 HD22 ASN A 68 -1.727 3.115 -15.899 1.00 10.00 H new ATOM 878 N GLU A 69 0.078 -1.105 -13.163 1.00 10.00 N ATOM 879 CA GLU A 69 1.130 -1.510 -12.234 1.00 10.00 C ATOM 880 C GLU A 69 2.457 -0.819 -12.540 1.00 10.00 C ATOM 881 O GLU A 69 3.418 -0.945 -11.784 1.00 10.00 O ATOM 882 CB GLU A 69 1.297 -3.029 -12.252 1.00 10.00 C ATOM 883 CG GLU A 69 0.172 -3.759 -11.537 1.00 10.00 C ATOM 884 CD GLU A 69 0.249 -5.259 -11.706 1.00 10.00 C ATOM 885 OE1 GLU A 69 1.265 -5.855 -11.290 1.00 10.00 O ATOM 886 OE2 GLU A 69 -0.713 -5.848 -12.247 1.00 10.00 O ATOM 0 H GLU A 69 -0.118 -1.780 -13.902 1.00 10.00 H new ATOM 0 HA GLU A 69 0.826 -1.199 -11.235 1.00 10.00 H new ATOM 0 HB2 GLU A 69 1.345 -3.371 -13.286 1.00 10.00 H new ATOM 0 HB3 GLU A 69 2.247 -3.290 -11.785 1.00 10.00 H new ATOM 0 HG2 GLU A 69 0.204 -3.515 -10.475 1.00 10.00 H new ATOM 0 HG3 GLU A 69 -0.786 -3.403 -11.917 1.00 10.00 H new ATOM 893 N THR A 70 2.505 -0.080 -13.639 1.00 10.00 N ATOM 894 CA THR A 70 3.715 0.631 -14.020 1.00 10.00 C ATOM 895 C THR A 70 3.515 2.142 -13.878 1.00 10.00 C ATOM 896 O THR A 70 4.334 2.948 -14.330 1.00 10.00 O ATOM 897 CB THR A 70 4.122 0.281 -15.464 1.00 10.00 C ATOM 898 OG1 THR A 70 3.806 -1.092 -15.731 1.00 10.00 O ATOM 899 CG2 THR A 70 5.611 0.507 -15.686 1.00 10.00 C ATOM 0 H THR A 70 1.722 0.042 -14.281 1.00 10.00 H new ATOM 0 HA THR A 70 4.517 0.320 -13.351 1.00 10.00 H new ATOM 0 HB THR A 70 3.570 0.932 -16.141 1.00 10.00 H new ATOM 0 HG1 THR A 70 4.063 -1.314 -16.650 1.00 10.00 H new ATOM 0 HG21 THR A 70 5.869 0.252 -16.714 1.00 10.00 H new ATOM 0 HG22 THR A 70 5.852 1.554 -15.501 1.00 10.00 H new ATOM 0 HG23 THR A 70 6.180 -0.122 -15.002 1.00 10.00 H new ATOM 907 N ASP A 71 2.422 2.521 -13.230 1.00 10.00 N ATOM 908 CA ASP A 71 2.108 3.929 -13.021 1.00 10.00 C ATOM 909 C ASP A 71 2.850 4.468 -11.807 1.00 10.00 C ATOM 910 O ASP A 71 3.007 3.774 -10.798 1.00 10.00 O ATOM 911 CB ASP A 71 0.602 4.135 -12.839 1.00 10.00 C ATOM 912 CG ASP A 71 -0.134 4.288 -14.153 1.00 10.00 C ATOM 913 OD1 ASP A 71 0.397 4.955 -15.064 1.00 10.00 O ATOM 914 OD2 ASP A 71 -1.250 3.743 -14.284 1.00 10.00 O ATOM 0 H ASP A 71 1.737 1.874 -12.840 1.00 10.00 H new ATOM 0 HA ASP A 71 2.430 4.476 -13.907 1.00 10.00 H new ATOM 0 HB2 ASP A 71 0.188 3.288 -12.293 1.00 10.00 H new ATOM 0 HB3 ASP A 71 0.433 5.022 -12.228 1.00 10.00 H new ATOM 919 N THR A 72 3.312 5.701 -11.911 1.00 10.00 N ATOM 920 CA THR A 72 4.040 6.343 -10.830 1.00 10.00 C ATOM 921 C THR A 72 3.330 7.629 -10.402 1.00 10.00 C ATOM 922 O THR A 72 2.652 8.259 -11.215 1.00 10.00 O ATOM 923 CB THR A 72 5.486 6.664 -11.262 1.00 10.00 C ATOM 924 OG1 THR A 72 5.613 6.516 -12.683 1.00 10.00 O ATOM 925 CG2 THR A 72 6.479 5.749 -10.564 1.00 10.00 C ATOM 0 H THR A 72 3.195 6.283 -12.741 1.00 10.00 H new ATOM 0 HA THR A 72 4.072 5.655 -9.985 1.00 10.00 H new ATOM 0 HB THR A 72 5.706 7.693 -10.979 1.00 10.00 H new ATOM 0 HG1 THR A 72 6.532 6.723 -12.953 1.00 10.00 H new ATOM 0 HG21 THR A 72 7.490 5.996 -10.886 1.00 10.00 H new ATOM 0 HG22 THR A 72 6.399 5.881 -9.485 1.00 10.00 H new ATOM 0 HG23 THR A 72 6.260 4.712 -10.820 1.00 10.00 H new ATOM 933 N PRO A 73 3.463 8.031 -9.123 1.00 10.00 N ATOM 934 CA PRO A 73 2.828 9.253 -8.601 1.00 10.00 C ATOM 935 C PRO A 73 3.172 10.491 -9.425 1.00 10.00 C ATOM 936 O PRO A 73 2.294 11.284 -9.772 1.00 10.00 O ATOM 937 CB PRO A 73 3.403 9.378 -7.187 1.00 10.00 C ATOM 938 CG PRO A 73 3.782 7.991 -6.809 1.00 10.00 C ATOM 939 CD PRO A 73 4.229 7.326 -8.080 1.00 10.00 C ATOM 0 HA PRO A 73 1.740 9.187 -8.632 1.00 10.00 H new ATOM 0 HB2 PRO A 73 4.266 10.043 -7.168 1.00 10.00 H new ATOM 0 HB3 PRO A 73 2.668 9.790 -6.496 1.00 10.00 H new ATOM 0 HG2 PRO A 73 4.581 7.993 -6.067 1.00 10.00 H new ATOM 0 HG3 PRO A 73 2.938 7.462 -6.367 1.00 10.00 H new ATOM 0 HD2 PRO A 73 5.303 7.430 -8.231 1.00 10.00 H new ATOM 0 HD3 PRO A 73 4.010 6.258 -8.073 1.00 10.00 H new ATOM 947 N ALA A 74 4.449 10.641 -9.757 1.00 10.00 N ATOM 948 CA ALA A 74 4.904 11.782 -10.535 1.00 10.00 C ATOM 949 C ALA A 74 4.467 11.670 -11.993 1.00 10.00 C ATOM 950 O ALA A 74 4.454 12.658 -12.722 1.00 10.00 O ATOM 951 CB ALA A 74 6.413 11.914 -10.444 1.00 10.00 C ATOM 0 H ALA A 74 5.186 9.985 -9.498 1.00 10.00 H new ATOM 0 HA ALA A 74 4.445 12.678 -10.117 1.00 10.00 H new ATOM 0 HB1 ALA A 74 6.739 12.772 -11.031 1.00 10.00 H new ATOM 0 HB2 ALA A 74 6.704 12.055 -9.403 1.00 10.00 H new ATOM 0 HB3 ALA A 74 6.881 11.010 -10.832 1.00 10.00 H new ATOM 957 N GLN A 75 4.099 10.468 -12.411 1.00 10.00 N ATOM 958 CA GLN A 75 3.669 10.241 -13.783 1.00 10.00 C ATOM 959 C GLN A 75 2.195 10.590 -13.949 1.00 10.00 C ATOM 960 O GLN A 75 1.777 11.076 -14.999 1.00 10.00 O ATOM 961 CB GLN A 75 3.911 8.787 -14.186 1.00 10.00 C ATOM 962 CG GLN A 75 3.741 8.528 -15.675 1.00 10.00 C ATOM 963 CD GLN A 75 4.779 9.243 -16.513 1.00 10.00 C ATOM 964 OE1 GLN A 75 5.871 8.725 -16.747 1.00 10.00 O ATOM 965 NE2 GLN A 75 4.448 10.437 -16.977 1.00 10.00 N ATOM 0 H GLN A 75 4.089 9.636 -11.821 1.00 10.00 H new ATOM 0 HA GLN A 75 4.256 10.889 -14.434 1.00 10.00 H new ATOM 0 HB2 GLN A 75 4.920 8.500 -13.889 1.00 10.00 H new ATOM 0 HB3 GLN A 75 3.223 8.147 -13.634 1.00 10.00 H new ATOM 0 HG2 GLN A 75 3.803 7.456 -15.863 1.00 10.00 H new ATOM 0 HG3 GLN A 75 2.746 8.848 -15.984 1.00 10.00 H new ATOM 0 HE21 GLN A 75 3.533 10.832 -16.761 1.00 10.00 H new ATOM 0 HE22 GLN A 75 5.108 10.962 -17.551 1.00 10.00 H new ATOM 974 N LEU A 76 1.411 10.347 -12.906 1.00 10.00 N ATOM 975 CA LEU A 76 -0.017 10.636 -12.945 1.00 10.00 C ATOM 976 C LEU A 76 -0.303 12.036 -12.417 1.00 10.00 C ATOM 977 O LEU A 76 -1.461 12.402 -12.204 1.00 10.00 O ATOM 978 CB LEU A 76 -0.795 9.600 -12.128 1.00 10.00 C ATOM 979 CG LEU A 76 -0.688 8.155 -12.625 1.00 10.00 C ATOM 980 CD1 LEU A 76 -1.633 7.257 -11.844 1.00 10.00 C ATOM 981 CD2 LEU A 76 -0.987 8.073 -14.114 1.00 10.00 C ATOM 0 H LEU A 76 1.739 9.952 -12.025 1.00 10.00 H new ATOM 0 HA LEU A 76 -0.343 10.585 -13.984 1.00 10.00 H new ATOM 0 HB2 LEU A 76 -0.445 9.638 -11.097 1.00 10.00 H new ATOM 0 HB3 LEU A 76 -1.847 9.886 -12.118 1.00 10.00 H new ATOM 0 HG LEU A 76 0.334 7.812 -12.463 1.00 10.00 H new ATOM 0 HD11 LEU A 76 -1.546 6.233 -12.208 1.00 10.00 H new ATOM 0 HD12 LEU A 76 -1.374 7.289 -10.786 1.00 10.00 H new ATOM 0 HD13 LEU A 76 -2.658 7.604 -11.977 1.00 10.00 H new ATOM 0 HD21 LEU A 76 -0.905 7.038 -14.445 1.00 10.00 H new ATOM 0 HD22 LEU A 76 -1.998 8.435 -14.303 1.00 10.00 H new ATOM 0 HD23 LEU A 76 -0.273 8.687 -14.663 1.00 10.00 H new ATOM 993 N GLU A 77 0.765 12.809 -12.213 1.00 10.00 N ATOM 994 CA GLU A 77 0.662 14.178 -11.708 1.00 10.00 C ATOM 995 C GLU A 77 -0.098 14.200 -10.381 1.00 10.00 C ATOM 996 O GLU A 77 -1.027 14.988 -10.187 1.00 10.00 O ATOM 997 CB GLU A 77 -0.019 15.082 -12.744 1.00 10.00 C ATOM 998 CG GLU A 77 0.696 15.118 -14.087 1.00 10.00 C ATOM 999 CD GLU A 77 1.796 16.160 -14.147 1.00 10.00 C ATOM 1000 OE1 GLU A 77 1.526 17.280 -14.628 1.00 10.00 O ATOM 1001 OE2 GLU A 77 2.939 15.861 -13.737 1.00 10.00 O ATOM 0 H GLU A 77 1.722 12.505 -12.393 1.00 10.00 H new ATOM 0 HA GLU A 77 1.667 14.562 -11.532 1.00 10.00 H new ATOM 0 HB2 GLU A 77 -1.042 14.739 -12.896 1.00 10.00 H new ATOM 0 HB3 GLU A 77 -0.078 16.095 -12.346 1.00 10.00 H new ATOM 0 HG2 GLU A 77 1.122 14.136 -14.291 1.00 10.00 H new ATOM 0 HG3 GLU A 77 -0.031 15.320 -14.874 1.00 10.00 H new ATOM 1008 N MET A 78 0.306 13.323 -9.471 1.00 10.00 N ATOM 1009 CA MET A 78 -0.333 13.231 -8.165 1.00 10.00 C ATOM 1010 C MET A 78 0.231 14.278 -7.213 1.00 10.00 C ATOM 1011 O MET A 78 1.375 14.720 -7.359 1.00 10.00 O ATOM 1012 CB MET A 78 -0.155 11.833 -7.571 1.00 10.00 C ATOM 1013 CG MET A 78 -0.779 10.734 -8.415 1.00 10.00 C ATOM 1014 SD MET A 78 -0.611 9.100 -7.669 1.00 10.00 S ATOM 1015 CE MET A 78 -1.802 9.215 -6.336 1.00 10.00 C ATOM 0 H MET A 78 1.073 12.666 -9.613 1.00 10.00 H new ATOM 0 HA MET A 78 -1.398 13.419 -8.300 1.00 10.00 H new ATOM 0 HB2 MET A 78 0.909 11.630 -7.452 1.00 10.00 H new ATOM 0 HB3 MET A 78 -0.597 11.811 -6.575 1.00 10.00 H new ATOM 0 HG2 MET A 78 -1.836 10.953 -8.565 1.00 10.00 H new ATOM 0 HG3 MET A 78 -0.312 10.729 -9.400 1.00 10.00 H new ATOM 0 HE1 MET A 78 -1.973 8.224 -5.915 1.00 10.00 H new ATOM 0 HE2 MET A 78 -1.417 9.878 -5.561 1.00 10.00 H new ATOM 0 HE3 MET A 78 -2.741 9.613 -6.720 1.00 10.00 H new ATOM 1025 N GLU A 79 -0.580 14.667 -6.245 1.00 10.00 N ATOM 1026 CA GLU A 79 -0.195 15.665 -5.262 1.00 10.00 C ATOM 1027 C GLU A 79 -0.814 15.336 -3.907 1.00 10.00 C ATOM 1028 O GLU A 79 -1.212 14.198 -3.658 1.00 10.00 O ATOM 1029 CB GLU A 79 -0.652 17.050 -5.724 1.00 10.00 C ATOM 1030 CG GLU A 79 0.480 17.935 -6.216 1.00 10.00 C ATOM 1031 CD GLU A 79 1.504 18.216 -5.137 1.00 10.00 C ATOM 1032 OE1 GLU A 79 1.103 18.607 -4.019 1.00 10.00 O ATOM 1033 OE2 GLU A 79 2.716 18.068 -5.404 1.00 10.00 O ATOM 0 H GLU A 79 -1.523 14.300 -6.118 1.00 10.00 H new ATOM 0 HA GLU A 79 0.890 15.662 -5.161 1.00 10.00 H new ATOM 0 HB2 GLU A 79 -1.384 16.933 -6.524 1.00 10.00 H new ATOM 0 HB3 GLU A 79 -1.159 17.549 -4.898 1.00 10.00 H new ATOM 0 HG2 GLU A 79 0.971 17.455 -7.063 1.00 10.00 H new ATOM 0 HG3 GLU A 79 0.070 18.878 -6.578 1.00 10.00 H new ATOM 1040 N ASP A 80 -0.891 16.331 -3.034 1.00 10.00 N ATOM 1041 CA ASP A 80 -1.471 16.143 -1.713 1.00 10.00 C ATOM 1042 C ASP A 80 -2.987 16.039 -1.804 1.00 10.00 C ATOM 1043 O ASP A 80 -3.591 16.514 -2.769 1.00 10.00 O ATOM 1044 CB ASP A 80 -1.106 17.306 -0.792 1.00 10.00 C ATOM 1045 CG ASP A 80 -0.101 16.921 0.271 1.00 10.00 C ATOM 1046 OD1 ASP A 80 1.088 17.273 0.119 1.00 10.00 O ATOM 1047 OD2 ASP A 80 -0.493 16.279 1.268 1.00 10.00 O ATOM 0 H ASP A 80 -0.558 17.278 -3.218 1.00 10.00 H new ATOM 0 HA ASP A 80 -1.068 15.217 -1.302 1.00 10.00 H new ATOM 0 HB2 ASP A 80 -0.701 18.123 -1.389 1.00 10.00 H new ATOM 0 HB3 ASP A 80 -2.010 17.680 -0.312 1.00 10.00 H new ATOM 1052 N GLU A 81 -3.583 15.406 -0.799 1.00 10.00 N ATOM 1053 CA GLU A 81 -5.033 15.233 -0.717 1.00 10.00 C ATOM 1054 C GLU A 81 -5.581 14.411 -1.884 1.00 10.00 C ATOM 1055 O GLU A 81 -6.751 14.538 -2.250 1.00 10.00 O ATOM 1056 CB GLU A 81 -5.731 16.596 -0.647 1.00 10.00 C ATOM 1057 CG GLU A 81 -5.435 17.357 0.634 1.00 10.00 C ATOM 1058 CD GLU A 81 -5.874 16.600 1.870 1.00 10.00 C ATOM 1059 OE1 GLU A 81 -7.091 16.594 2.166 1.00 10.00 O ATOM 1060 OE2 GLU A 81 -5.016 16.003 2.546 1.00 10.00 O ATOM 0 H GLU A 81 -3.075 14.997 -0.015 1.00 10.00 H new ATOM 0 HA GLU A 81 -5.243 14.678 0.197 1.00 10.00 H new ATOM 0 HB2 GLU A 81 -5.421 17.200 -1.500 1.00 10.00 H new ATOM 0 HB3 GLU A 81 -6.808 16.450 -0.734 1.00 10.00 H new ATOM 0 HG2 GLU A 81 -4.365 17.558 0.695 1.00 10.00 H new ATOM 0 HG3 GLU A 81 -5.940 18.323 0.604 1.00 10.00 H new ATOM 1067 N ASP A 82 -4.741 13.563 -2.457 1.00 10.00 N ATOM 1068 CA ASP A 82 -5.164 12.721 -3.565 1.00 10.00 C ATOM 1069 C ASP A 82 -5.751 11.423 -3.029 1.00 10.00 C ATOM 1070 O ASP A 82 -5.124 10.730 -2.225 1.00 10.00 O ATOM 1071 CB ASP A 82 -4.004 12.439 -4.520 1.00 10.00 C ATOM 1072 CG ASP A 82 -4.122 13.248 -5.797 1.00 10.00 C ATOM 1073 OD1 ASP A 82 -5.263 13.493 -6.238 1.00 10.00 O ATOM 1074 OD2 ASP A 82 -3.081 13.650 -6.360 1.00 10.00 O ATOM 0 H ASP A 82 -3.768 13.440 -2.175 1.00 10.00 H new ATOM 0 HA ASP A 82 -5.931 13.251 -4.130 1.00 10.00 H new ATOM 0 HB2 ASP A 82 -3.061 12.673 -4.026 1.00 10.00 H new ATOM 0 HB3 ASP A 82 -3.982 11.377 -4.763 1.00 10.00 H new ATOM 1079 N THR A 83 -6.960 11.105 -3.467 1.00 10.00 N ATOM 1080 CA THR A 83 -7.645 9.912 -3.006 1.00 10.00 C ATOM 1081 C THR A 83 -7.855 8.903 -4.134 1.00 10.00 C ATOM 1082 O THR A 83 -8.376 9.238 -5.199 1.00 10.00 O ATOM 1083 CB THR A 83 -9.010 10.278 -2.389 1.00 10.00 C ATOM 1084 OG1 THR A 83 -8.866 11.445 -1.565 1.00 10.00 O ATOM 1085 CG2 THR A 83 -9.558 9.130 -1.553 1.00 10.00 C ATOM 0 H THR A 83 -7.486 11.659 -4.143 1.00 10.00 H new ATOM 0 HA THR A 83 -7.010 9.451 -2.249 1.00 10.00 H new ATOM 0 HB THR A 83 -9.711 10.478 -3.199 1.00 10.00 H new ATOM 0 HG1 THR A 83 -9.734 11.679 -1.174 1.00 10.00 H new ATOM 0 HG21 THR A 83 -10.521 9.415 -1.130 1.00 10.00 H new ATOM 0 HG22 THR A 83 -9.685 8.249 -2.183 1.00 10.00 H new ATOM 0 HG23 THR A 83 -8.861 8.902 -0.747 1.00 10.00 H new ATOM 1093 N ILE A 84 -7.441 7.667 -3.890 1.00 10.00 N ATOM 1094 CA ILE A 84 -7.591 6.597 -4.864 1.00 10.00 C ATOM 1095 C ILE A 84 -8.847 5.785 -4.554 1.00 10.00 C ATOM 1096 O ILE A 84 -9.078 5.401 -3.403 1.00 10.00 O ATOM 1097 CB ILE A 84 -6.345 5.680 -4.884 1.00 10.00 C ATOM 1098 CG1 ILE A 84 -5.186 6.402 -5.576 1.00 10.00 C ATOM 1099 CG2 ILE A 84 -6.646 4.356 -5.579 1.00 10.00 C ATOM 1100 CD1 ILE A 84 -3.889 5.622 -5.571 1.00 10.00 C ATOM 0 H ILE A 84 -6.995 7.380 -3.018 1.00 10.00 H new ATOM 0 HA ILE A 84 -7.690 7.044 -5.853 1.00 10.00 H new ATOM 0 HB ILE A 84 -6.063 5.454 -3.856 1.00 10.00 H new ATOM 0 HG12 ILE A 84 -5.467 6.615 -6.607 1.00 10.00 H new ATOM 0 HG13 ILE A 84 -5.024 7.362 -5.085 1.00 10.00 H new ATOM 0 HG21 ILE A 84 -5.752 3.733 -5.578 1.00 10.00 H new ATOM 0 HG22 ILE A 84 -7.448 3.841 -5.050 1.00 10.00 H new ATOM 0 HG23 ILE A 84 -6.954 4.547 -6.607 1.00 10.00 H new ATOM 0 HD11 ILE A 84 -3.116 6.198 -6.079 1.00 10.00 H new ATOM 0 HD12 ILE A 84 -3.583 5.432 -4.542 1.00 10.00 H new ATOM 0 HD13 ILE A 84 -4.033 4.673 -6.088 1.00 10.00 H new ATOM 1112 N ASP A 85 -9.659 5.553 -5.578 1.00 10.00 N ATOM 1113 CA ASP A 85 -10.901 4.799 -5.432 1.00 10.00 C ATOM 1114 C ASP A 85 -10.632 3.306 -5.516 1.00 10.00 C ATOM 1115 O ASP A 85 -9.843 2.856 -6.349 1.00 10.00 O ATOM 1116 CB ASP A 85 -11.903 5.194 -6.520 1.00 10.00 C ATOM 1117 CG ASP A 85 -12.765 6.373 -6.125 1.00 10.00 C ATOM 1118 OD1 ASP A 85 -13.954 6.165 -5.799 1.00 10.00 O ATOM 1119 OD2 ASP A 85 -12.266 7.517 -6.151 1.00 10.00 O ATOM 0 H ASP A 85 -9.478 5.879 -6.527 1.00 10.00 H new ATOM 0 HA ASP A 85 -11.322 5.034 -4.455 1.00 10.00 H new ATOM 0 HB2 ASP A 85 -11.362 5.436 -7.435 1.00 10.00 H new ATOM 0 HB3 ASP A 85 -12.543 4.341 -6.744 1.00 10.00 H new ATOM 1124 N VAL A 86 -11.294 2.541 -4.660 1.00 10.00 N ATOM 1125 CA VAL A 86 -11.127 1.096 -4.639 1.00 10.00 C ATOM 1126 C VAL A 86 -12.402 0.404 -5.112 1.00 10.00 C ATOM 1127 O VAL A 86 -13.501 0.748 -4.679 1.00 10.00 O ATOM 1128 CB VAL A 86 -10.768 0.580 -3.226 1.00 10.00 C ATOM 1129 CG1 VAL A 86 -10.332 -0.878 -3.276 1.00 10.00 C ATOM 1130 CG2 VAL A 86 -9.683 1.442 -2.595 1.00 10.00 C ATOM 0 H VAL A 86 -11.954 2.899 -3.969 1.00 10.00 H new ATOM 0 HA VAL A 86 -10.304 0.860 -5.314 1.00 10.00 H new ATOM 0 HB VAL A 86 -11.662 0.647 -2.606 1.00 10.00 H new ATOM 0 HG11 VAL A 86 -10.085 -1.218 -2.271 1.00 10.00 H new ATOM 0 HG12 VAL A 86 -11.143 -1.487 -3.676 1.00 10.00 H new ATOM 0 HG13 VAL A 86 -9.456 -0.974 -3.917 1.00 10.00 H new ATOM 0 HG21 VAL A 86 -9.447 1.060 -1.602 1.00 10.00 H new ATOM 0 HG22 VAL A 86 -8.788 1.414 -3.217 1.00 10.00 H new ATOM 0 HG23 VAL A 86 -10.036 2.470 -2.514 1.00 10.00 H new ATOM 1140 N PHE A 87 -12.249 -0.555 -6.013 1.00 10.00 N ATOM 1141 CA PHE A 87 -13.371 -1.313 -6.547 1.00 10.00 C ATOM 1142 C PHE A 87 -13.062 -2.803 -6.475 1.00 10.00 C ATOM 1143 O PHE A 87 -11.917 -3.191 -6.241 1.00 10.00 O ATOM 1144 CB PHE A 87 -13.653 -0.911 -8.001 1.00 10.00 C ATOM 1145 CG PHE A 87 -14.265 0.454 -8.154 1.00 10.00 C ATOM 1146 CD1 PHE A 87 -15.638 0.625 -8.072 1.00 10.00 C ATOM 1147 CD2 PHE A 87 -13.468 1.566 -8.390 1.00 10.00 C ATOM 1148 CE1 PHE A 87 -16.205 1.877 -8.219 1.00 10.00 C ATOM 1149 CE2 PHE A 87 -14.031 2.819 -8.537 1.00 10.00 C ATOM 1150 CZ PHE A 87 -15.400 2.974 -8.453 1.00 10.00 C ATOM 0 H PHE A 87 -11.344 -0.830 -6.395 1.00 10.00 H new ATOM 0 HA PHE A 87 -14.256 -1.094 -5.950 1.00 10.00 H new ATOM 0 HB2 PHE A 87 -12.720 -0.944 -8.563 1.00 10.00 H new ATOM 0 HB3 PHE A 87 -14.320 -1.648 -8.448 1.00 10.00 H new ATOM 0 HD1 PHE A 87 -16.272 -0.230 -7.891 1.00 10.00 H new ATOM 0 HD2 PHE A 87 -12.396 1.450 -8.459 1.00 10.00 H new ATOM 0 HE1 PHE A 87 -17.276 1.997 -8.151 1.00 10.00 H new ATOM 0 HE2 PHE A 87 -13.400 3.677 -8.718 1.00 10.00 H new ATOM 0 HZ PHE A 87 -15.841 3.953 -8.570 1.00 10.00 H new ATOM 1160 N GLN A 88 -14.069 -3.637 -6.679 1.00 10.00 N ATOM 1161 CA GLN A 88 -13.870 -5.079 -6.639 1.00 10.00 C ATOM 1162 C GLN A 88 -14.325 -5.724 -7.943 1.00 10.00 C ATOM 1163 O GLN A 88 -15.254 -5.242 -8.594 1.00 10.00 O ATOM 1164 CB GLN A 88 -14.605 -5.703 -5.452 1.00 10.00 C ATOM 1165 CG GLN A 88 -13.780 -5.726 -4.177 1.00 10.00 C ATOM 1166 CD GLN A 88 -14.259 -6.769 -3.184 1.00 10.00 C ATOM 1167 OE1 GLN A 88 -14.843 -7.783 -3.562 1.00 10.00 O ATOM 1168 NE2 GLN A 88 -14.005 -6.532 -1.907 1.00 10.00 N ATOM 0 H GLN A 88 -15.027 -3.344 -6.873 1.00 10.00 H new ATOM 0 HA GLN A 88 -12.803 -5.264 -6.515 1.00 10.00 H new ATOM 0 HB2 GLN A 88 -15.525 -5.147 -5.271 1.00 10.00 H new ATOM 0 HB3 GLN A 88 -14.894 -6.722 -5.708 1.00 10.00 H new ATOM 0 HG2 GLN A 88 -12.738 -5.922 -4.428 1.00 10.00 H new ATOM 0 HG3 GLN A 88 -13.816 -4.742 -3.709 1.00 10.00 H new ATOM 0 HE21 GLN A 88 -13.518 -5.679 -1.634 1.00 10.00 H new ATOM 0 HE22 GLN A 88 -14.296 -7.203 -1.196 1.00 10.00 H new ATOM 1177 N GLN A 89 -13.647 -6.802 -8.319 1.00 10.00 N ATOM 1178 CA GLN A 89 -13.956 -7.540 -9.540 1.00 10.00 C ATOM 1179 C GLN A 89 -15.295 -8.260 -9.411 1.00 10.00 C ATOM 1180 O GLN A 89 -15.736 -8.577 -8.305 1.00 10.00 O ATOM 1181 CB GLN A 89 -12.845 -8.559 -9.814 1.00 10.00 C ATOM 1182 CG GLN A 89 -12.753 -9.005 -11.264 1.00 10.00 C ATOM 1183 CD GLN A 89 -11.907 -8.076 -12.110 1.00 10.00 C ATOM 1184 OE1 GLN A 89 -11.026 -7.380 -11.605 1.00 10.00 O ATOM 1185 NE2 GLN A 89 -12.155 -8.067 -13.409 1.00 10.00 N ATOM 0 H GLN A 89 -12.868 -7.190 -7.787 1.00 10.00 H new ATOM 0 HA GLN A 89 -14.022 -6.835 -10.369 1.00 10.00 H new ATOM 0 HB2 GLN A 89 -11.889 -8.127 -9.517 1.00 10.00 H new ATOM 0 HB3 GLN A 89 -13.007 -9.435 -9.186 1.00 10.00 H new ATOM 0 HG2 GLN A 89 -12.333 -10.010 -11.305 1.00 10.00 H new ATOM 0 HG3 GLN A 89 -13.756 -9.062 -11.687 1.00 10.00 H new ATOM 0 HE21 GLN A 89 -12.893 -8.658 -13.791 1.00 10.00 H new ATOM 0 HE22 GLN A 89 -11.608 -7.469 -14.029 1.00 10.00 H new ATOM 1194 N GLN A 90 -15.938 -8.515 -10.541 1.00 10.00 N ATOM 1195 CA GLN A 90 -17.219 -9.206 -10.555 1.00 10.00 C ATOM 1196 C GLN A 90 -17.028 -10.683 -10.238 1.00 10.00 C ATOM 1197 O GLN A 90 -16.057 -11.302 -10.681 1.00 10.00 O ATOM 1198 CB GLN A 90 -17.906 -9.047 -11.917 1.00 10.00 C ATOM 1199 CG GLN A 90 -18.506 -7.666 -12.148 1.00 10.00 C ATOM 1200 CD GLN A 90 -17.454 -6.593 -12.358 1.00 10.00 C ATOM 1201 OE1 GLN A 90 -16.380 -6.854 -12.897 1.00 10.00 O ATOM 1202 NE2 GLN A 90 -17.753 -5.382 -11.922 1.00 10.00 N ATOM 0 H GLN A 90 -15.592 -8.252 -11.464 1.00 10.00 H new ATOM 0 HA GLN A 90 -17.855 -8.759 -9.791 1.00 10.00 H new ATOM 0 HB2 GLN A 90 -17.182 -9.254 -12.705 1.00 10.00 H new ATOM 0 HB3 GLN A 90 -18.695 -9.794 -12.005 1.00 10.00 H new ATOM 0 HG2 GLN A 90 -19.161 -7.701 -13.019 1.00 10.00 H new ATOM 0 HG3 GLN A 90 -19.126 -7.397 -11.293 1.00 10.00 H new ATOM 0 HE21 GLN A 90 -18.656 -5.207 -11.480 1.00 10.00 H new ATOM 0 HE22 GLN A 90 -17.081 -4.622 -12.027 1.00 10.00 H new ATOM 1211 N THR A 91 -17.954 -11.243 -9.472 1.00 10.00 N ATOM 1212 CA THR A 91 -17.889 -12.646 -9.092 1.00 10.00 C ATOM 1213 C THR A 91 -18.240 -13.546 -10.271 1.00 10.00 C ATOM 1214 O THR A 91 -17.792 -14.689 -10.351 1.00 10.00 O ATOM 1215 CB THR A 91 -18.844 -12.939 -7.921 1.00 10.00 C ATOM 1216 OG1 THR A 91 -20.007 -12.104 -8.025 1.00 10.00 O ATOM 1217 CG2 THR A 91 -18.157 -12.697 -6.583 1.00 10.00 C ATOM 0 H THR A 91 -18.762 -10.744 -9.100 1.00 10.00 H new ATOM 0 HA THR A 91 -16.866 -12.856 -8.779 1.00 10.00 H new ATOM 0 HB THR A 91 -19.138 -13.987 -7.972 1.00 10.00 H new ATOM 0 HG1 THR A 91 -20.614 -12.294 -7.279 1.00 10.00 H new ATOM 0 HG21 THR A 91 -18.853 -12.911 -5.772 1.00 10.00 H new ATOM 0 HG22 THR A 91 -17.288 -13.349 -6.497 1.00 10.00 H new ATOM 0 HG23 THR A 91 -17.837 -11.657 -6.521 1.00 10.00 H new ATOM 1225 N GLY A 92 -19.047 -13.019 -11.182 1.00 10.00 N ATOM 1226 CA GLY A 92 -19.449 -13.778 -12.346 1.00 10.00 C ATOM 1227 C GLY A 92 -20.274 -12.943 -13.301 1.00 10.00 C ATOM 1228 O GLY A 92 -20.733 -11.856 -12.938 1.00 10.00 O ATOM 0 H GLY A 92 -19.431 -12.075 -11.134 1.00 10.00 H new ATOM 0 HA2 GLY A 92 -18.564 -14.151 -12.861 1.00 10.00 H new ATOM 0 HA3 GLY A 92 -20.026 -14.648 -12.032 1.00 10.00 H new TER 1232 GLY A 92 ATOM 1233 N ASP B 195 -13.734 6.388 15.160 1.00 10.00 N ATOM 1234 CA ASP B 195 -14.066 5.951 13.812 1.00 10.00 C ATOM 1235 C ASP B 195 -12.994 4.991 13.314 1.00 10.00 C ATOM 1236 O ASP B 195 -12.369 4.291 14.120 1.00 10.00 O ATOM 1237 CB ASP B 195 -14.172 7.145 12.870 1.00 10.00 C ATOM 1238 CG ASP B 195 -15.276 6.953 11.852 1.00 10.00 C ATOM 1239 OD1 ASP B 195 -16.335 7.601 11.988 1.00 10.00 O ATOM 1240 OD2 ASP B 195 -15.096 6.150 10.914 1.00 10.00 O ATOM 0 HA ASP B 195 -15.031 5.444 13.833 1.00 10.00 H new ATOM 0 HB2 ASP B 195 -14.362 8.050 13.448 1.00 10.00 H new ATOM 0 HB3 ASP B 195 -13.222 7.289 12.355 1.00 10.00 H new ATOM 1245 N THR B 196 -12.748 4.974 12.010 1.00 10.00 N ATOM 1246 CA THR B 196 -11.720 4.103 11.489 1.00 10.00 C ATOM 1247 C THR B 196 -10.617 4.907 10.825 1.00 10.00 C ATOM 1248 O THR B 196 -10.853 5.652 9.874 1.00 10.00 O ATOM 1249 CB THR B 196 -12.282 3.109 10.464 1.00 10.00 C ATOM 1250 OG1 THR B 196 -13.715 3.107 10.519 1.00 10.00 O ATOM 1251 CG2 THR B 196 -11.758 1.711 10.744 1.00 10.00 C ATOM 0 H THR B 196 -13.235 5.540 11.315 1.00 10.00 H new ATOM 0 HA THR B 196 -11.319 3.550 12.339 1.00 10.00 H new ATOM 0 HB THR B 196 -11.960 3.415 9.469 1.00 10.00 H new ATOM 0 HG1 THR B 196 -14.067 2.472 9.861 1.00 10.00 H new ATOM 0 HG21 THR B 196 -12.165 1.016 10.009 1.00 10.00 H new ATOM 0 HG22 THR B 196 -10.670 1.711 10.680 1.00 10.00 H new ATOM 0 HG23 THR B 196 -12.063 1.402 11.744 1.00 10.00 H new ATOM 1259 N ALA B 197 -9.410 4.741 11.344 1.00 10.00 N ATOM 1260 CA ALA B 197 -8.235 5.393 10.810 1.00 10.00 C ATOM 1261 C ALA B 197 -7.166 4.349 10.543 1.00 10.00 C ATOM 1262 O ALA B 197 -6.834 3.569 11.426 1.00 10.00 O ATOM 1263 CB ALA B 197 -7.727 6.449 11.781 1.00 10.00 C ATOM 0 H ALA B 197 -9.222 4.146 12.151 1.00 10.00 H new ATOM 0 HA ALA B 197 -8.488 5.893 9.875 1.00 10.00 H new ATOM 0 HB1 ALA B 197 -6.842 6.931 11.365 1.00 10.00 H new ATOM 0 HB2 ALA B 197 -8.504 7.196 11.945 1.00 10.00 H new ATOM 0 HB3 ALA B 197 -7.471 5.978 12.730 1.00 10.00 H new ATOM 1269 N GLY B 198 -6.640 4.327 9.347 1.00 10.00 N ATOM 1270 CA GLY B 198 -5.612 3.376 9.023 1.00 10.00 C ATOM 1271 C GLY B 198 -4.367 4.074 8.563 1.00 10.00 C ATOM 1272 O GLY B 198 -4.447 4.979 7.741 1.00 10.00 O ATOM 0 H GLY B 198 -6.905 4.953 8.586 1.00 10.00 H new ATOM 0 HA2 GLY B 198 -5.389 2.763 9.896 1.00 10.00 H new ATOM 0 HA3 GLY B 198 -5.966 2.702 8.243 1.00 10.00 H new ATOM 1276 N CYS B 199 -3.223 3.709 9.108 1.00 10.00 N ATOM 1277 CA CYS B 199 -1.985 4.328 8.687 1.00 10.00 C ATOM 1278 C CYS B 199 -1.082 3.267 8.081 1.00 10.00 C ATOM 1279 O CYS B 199 -0.780 2.249 8.704 1.00 10.00 O ATOM 1280 CB CYS B 199 -1.301 5.019 9.873 1.00 10.00 C ATOM 1281 SG CYS B 199 -2.301 6.312 10.640 1.00 10.00 S ATOM 0 H CYS B 199 -3.126 2.998 9.833 1.00 10.00 H new ATOM 0 HA CYS B 199 -2.193 5.090 7.936 1.00 10.00 H new ATOM 0 HB2 CYS B 199 -1.054 4.270 10.625 1.00 10.00 H new ATOM 0 HB3 CYS B 199 -0.360 5.453 9.535 1.00 10.00 H new ATOM 0 HG CYS B 199 -1.645 6.837 11.632 1.00 10.00 H new ATOM 1287 N ILE B 200 -0.689 3.502 6.845 1.00 10.00 N ATOM 1288 CA ILE B 200 0.170 2.586 6.131 1.00 10.00 C ATOM 1289 C ILE B 200 1.409 3.335 5.626 1.00 10.00 C ATOM 1290 O ILE B 200 1.293 4.400 5.016 1.00 10.00 O ATOM 1291 CB ILE B 200 -0.638 1.939 4.976 1.00 10.00 C ATOM 1292 CG1 ILE B 200 0.093 0.758 4.339 1.00 10.00 C ATOM 1293 CG2 ILE B 200 -1.001 2.965 3.922 1.00 10.00 C ATOM 1294 CD1 ILE B 200 -0.740 0.064 3.284 1.00 10.00 C ATOM 0 H ILE B 200 -0.956 4.330 6.312 1.00 10.00 H new ATOM 0 HA ILE B 200 0.518 1.788 6.787 1.00 10.00 H new ATOM 0 HB ILE B 200 -1.555 1.551 5.420 1.00 10.00 H new ATOM 0 HG12 ILE B 200 1.023 1.109 3.891 1.00 10.00 H new ATOM 0 HG13 ILE B 200 0.363 0.041 5.114 1.00 10.00 H new ATOM 0 HG21 ILE B 200 -1.567 2.483 3.125 1.00 10.00 H new ATOM 0 HG22 ILE B 200 -1.607 3.751 4.373 1.00 10.00 H new ATOM 0 HG23 ILE B 200 -0.091 3.400 3.509 1.00 10.00 H new ATOM 0 HD11 ILE B 200 -0.175 -0.767 2.863 1.00 10.00 H new ATOM 0 HD12 ILE B 200 -1.658 -0.313 3.735 1.00 10.00 H new ATOM 0 HD13 ILE B 200 -0.988 0.772 2.493 1.00 10.00 H new ATOM 1306 N VAL B 201 2.590 2.822 5.921 1.00 10.00 N ATOM 1307 CA VAL B 201 3.811 3.467 5.460 1.00 10.00 C ATOM 1308 C VAL B 201 4.645 2.504 4.631 1.00 10.00 C ATOM 1309 O VAL B 201 4.916 1.384 5.058 1.00 10.00 O ATOM 1310 CB VAL B 201 4.661 4.030 6.624 1.00 10.00 C ATOM 1311 CG1 VAL B 201 4.991 2.951 7.645 1.00 10.00 C ATOM 1312 CG2 VAL B 201 5.938 4.665 6.095 1.00 10.00 C ATOM 0 H VAL B 201 2.732 1.974 6.469 1.00 10.00 H new ATOM 0 HA VAL B 201 3.504 4.310 4.841 1.00 10.00 H new ATOM 0 HB VAL B 201 4.069 4.796 7.125 1.00 10.00 H new ATOM 0 HG11 VAL B 201 5.589 3.381 8.449 1.00 10.00 H new ATOM 0 HG12 VAL B 201 4.067 2.545 8.057 1.00 10.00 H new ATOM 0 HG13 VAL B 201 5.554 2.153 7.162 1.00 10.00 H new ATOM 0 HG21 VAL B 201 6.523 5.055 6.928 1.00 10.00 H new ATOM 0 HG22 VAL B 201 6.523 3.916 5.561 1.00 10.00 H new ATOM 0 HG23 VAL B 201 5.685 5.480 5.416 1.00 10.00 H new ATOM 1322 N ILE B 202 5.036 2.934 3.447 1.00 10.00 N ATOM 1323 CA ILE B 202 5.853 2.105 2.586 1.00 10.00 C ATOM 1324 C ILE B 202 7.139 2.820 2.240 1.00 10.00 C ATOM 1325 O ILE B 202 7.135 3.991 1.861 1.00 10.00 O ATOM 1326 CB ILE B 202 5.120 1.659 1.297 1.00 10.00 C ATOM 1327 CG1 ILE B 202 4.802 2.848 0.387 1.00 10.00 C ATOM 1328 CG2 ILE B 202 3.844 0.908 1.653 1.00 10.00 C ATOM 1329 CD1 ILE B 202 3.981 2.471 -0.823 1.00 10.00 C ATOM 0 H ILE B 202 4.802 3.849 3.062 1.00 10.00 H new ATOM 0 HA ILE B 202 6.077 1.197 3.145 1.00 10.00 H new ATOM 0 HB ILE B 202 5.786 0.994 0.748 1.00 10.00 H new ATOM 0 HG12 ILE B 202 4.265 3.603 0.961 1.00 10.00 H new ATOM 0 HG13 ILE B 202 5.735 3.304 0.057 1.00 10.00 H new ATOM 0 HG21 ILE B 202 3.337 0.599 0.739 1.00 10.00 H new ATOM 0 HG22 ILE B 202 4.093 0.027 2.245 1.00 10.00 H new ATOM 0 HG23 ILE B 202 3.187 1.559 2.230 1.00 10.00 H new ATOM 0 HD11 ILE B 202 3.791 3.360 -1.425 1.00 10.00 H new ATOM 0 HD12 ILE B 202 4.526 1.739 -1.419 1.00 10.00 H new ATOM 0 HD13 ILE B 202 3.032 2.042 -0.500 1.00 10.00 H new HETATM 1341 N SEP B 203 8.241 2.120 2.391 1.00 10.00 N HETATM 1342 CA SEP B 203 9.542 2.672 2.092 1.00 10.00 C HETATM 1343 CB SEP B 203 10.459 2.655 3.324 1.00 10.00 C HETATM 1344 OG SEP B 203 10.366 3.875 4.049 1.00 10.00 O HETATM 1345 C SEP B 203 10.154 1.883 0.948 1.00 10.00 C HETATM 1346 O SEP B 203 10.083 0.654 0.918 1.00 10.00 O HETATM 1347 P SEP B 203 11.273 5.129 3.645 1.00 10.00 P HETATM 1348 O1P SEP B 203 12.494 4.788 2.895 1.00 10.00 O HETATM 1349 O2P SEP B 203 11.504 6.089 4.738 1.00 10.00 O HETATM 1350 O3P SEP B 203 10.391 5.950 2.597 1.00 10.00 O HETATM 0 HB3 SEP B 203 10.187 1.822 3.972 1.00 10.00 H new HETATM 0 HB2 SEP B 203 11.490 2.492 3.011 1.00 10.00 H new HETATM 0 HA SEP B 203 9.428 3.716 1.800 1.00 10.00 H new ATOM 1355 N ASP B 204 10.700 2.597 -0.012 1.00 10.00 N ATOM 1356 CA ASP B 204 11.298 1.978 -1.184 1.00 10.00 C ATOM 1357 C ASP B 204 12.794 2.244 -1.193 1.00 10.00 C ATOM 1358 O ASP B 204 13.240 3.375 -0.988 1.00 10.00 O ATOM 1359 CB ASP B 204 10.662 2.540 -2.462 1.00 10.00 C ATOM 1360 CG ASP B 204 10.698 1.558 -3.615 1.00 10.00 C ATOM 1361 OD1 ASP B 204 11.607 1.664 -4.462 1.00 10.00 O ATOM 1362 OD2 ASP B 204 9.813 0.678 -3.676 1.00 10.00 O ATOM 0 H ASP B 204 10.744 3.616 -0.007 1.00 10.00 H new ATOM 0 HA ASP B 204 11.122 0.903 -1.147 1.00 10.00 H new ATOM 0 HB2 ASP B 204 9.627 2.815 -2.257 1.00 10.00 H new ATOM 0 HB3 ASP B 204 11.183 3.453 -2.751 1.00 10.00 H new HETATM 1367 N SEP B 205 13.566 1.200 -1.427 1.00 10.00 N HETATM 1368 CA SEP B 205 15.007 1.315 -1.434 1.00 10.00 C HETATM 1369 CB SEP B 205 15.607 0.305 -0.443 1.00 10.00 C HETATM 1370 OG SEP B 205 14.979 -0.973 -0.564 1.00 10.00 O HETATM 1371 C SEP B 205 15.548 1.072 -2.835 1.00 10.00 C HETATM 1372 O SEP B 205 15.215 0.080 -3.496 1.00 10.00 O HETATM 1373 P SEP B 205 13.887 -1.457 0.518 1.00 10.00 P HETATM 1374 O1P SEP B 205 13.783 -2.922 0.668 1.00 10.00 O HETATM 1375 O2P SEP B 205 13.953 -0.741 1.808 1.00 10.00 O HETATM 1376 O3P SEP B 205 12.479 -1.039 -0.115 1.00 10.00 O HETATM 0 HB3 SEP B 205 16.677 0.206 -0.624 1.00 10.00 H new HETATM 0 HB2 SEP B 205 15.489 0.676 0.575 1.00 10.00 H new HETATM 0 HA SEP B 205 15.289 2.323 -1.129 1.00 10.00 H new ATOM 1381 N GLU B 206 16.370 2.008 -3.287 1.00 10.00 N ATOM 1382 CA GLU B 206 16.961 1.944 -4.612 1.00 10.00 C ATOM 1383 C GLU B 206 18.262 1.154 -4.584 1.00 10.00 C ATOM 1384 O GLU B 206 18.661 0.647 -3.535 1.00 10.00 O ATOM 1385 CB GLU B 206 17.208 3.359 -5.136 1.00 10.00 C ATOM 1386 CG GLU B 206 17.718 3.410 -6.564 1.00 10.00 C ATOM 1387 CD GLU B 206 16.777 2.750 -7.546 1.00 10.00 C ATOM 1388 OE1 GLU B 206 16.856 1.518 -7.710 1.00 10.00 O ATOM 1389 OE2 GLU B 206 15.964 3.461 -8.169 1.00 10.00 O ATOM 0 H GLU B 206 16.644 2.829 -2.747 1.00 10.00 H new ATOM 0 HA GLU B 206 16.269 1.432 -5.280 1.00 10.00 H new ATOM 0 HB2 GLU B 206 16.279 3.926 -5.073 1.00 10.00 H new ATOM 0 HB3 GLU B 206 17.929 3.855 -4.486 1.00 10.00 H new ATOM 0 HG2 GLU B 206 17.868 4.450 -6.854 1.00 10.00 H new ATOM 0 HG3 GLU B 206 18.691 2.921 -6.615 1.00 10.00 H new TER 1396 GLU B 206