USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 681 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 110 ASN : amide:sc= -0.758 K(o=0.25,f=-4.2!) USER MOD Set 1.2: A 113 LYS NZ :NH3+ -109:sc= 1 (180deg=0) USER MOD Set 2.1: A 102 TYR OH : rot -164:sc= -5.81! USER MOD Set 2.2: A 106 GLN : amide:sc= -3.02 K(o=-8.8,f=-8.3!) USER MOD Set 3.1: A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 100 THR OG1 : rot 112:sc= 0.0543 USER MOD Set 4.1: A 40 GLN : amide:sc= -0.232 K(o=-1.3,f=-2) USER MOD Set 4.2: A 71 ASN : amide:sc= -1.04 X(o=-1.3,f=-1.4!) USER MOD Set 5.1: A 27 THR OG1 : rot -80:sc= -3.31! USER MOD Set 5.2: A 88 ASN : amide:sc= -0.793 K(o=-4.1,f=-4.6!) USER MOD Single : A 28 LYS NZ :NH3+ -102:sc= -0.0035 (180deg=-0.176) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 85:sc= 0.994 USER MOD Single : A 46 LYS NZ :NH3+ -106:sc= -0.634 (180deg=-2.44!) USER MOD Single : A 48 CYS SG : rot -56:sc= -10.3! USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -118:sc= 0.725 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -119:sc= -1.99 (180deg=-2.52!) USER MOD Single : A 66 THR OG1 : rot -48:sc= 1 USER MOD Single : A 72 CYS SG : rot 25:sc= -2.61! USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -172:sc= -3.29! (180deg=-3.98!) USER MOD Single : A 81 SER OG : rot 83:sc= 0.832 USER MOD Single : A 82 ASN : amide:sc= -4.79! K(o=-4.8!,f=-2.5) USER MOD Single : A 86 HIS : no HD1:sc= -2.96! C(o=-3!,f=-1.5!) USER MOD Single : A 87 GLN : amide:sc= -6.9! C(o=-6.9!,f=-5.4!) USER MOD Single : A 90 LYS NZ :NH3+ 161:sc=-0.00422 (180deg=-0.141) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0601) USER MOD Single : A 97 ASN : amide:sc= -0.137 X(o=-0.14,f=-0.011) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot -100:sc= -0.36 USER MOD Single : A 111 GLN : amide:sc= -2.11 X(o=-2.1,f=-2.6!) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 70 N THR A 27 -19.796 4.021 -5.908 1.00 0.00 N ATOM 71 CA THR A 27 -18.495 3.917 -6.546 1.00 0.00 C ATOM 72 C THR A 27 -17.577 5.028 -6.044 1.00 0.00 C ATOM 73 O THR A 27 -16.364 4.846 -5.935 1.00 0.00 O ATOM 74 CB THR A 27 -18.656 3.972 -8.072 1.00 0.00 C ATOM 75 OG1 THR A 27 -18.403 2.703 -8.647 1.00 0.00 O ATOM 76 CG2 THR A 27 -17.742 4.967 -8.751 1.00 0.00 C ATOM 0 HA THR A 27 -18.039 2.961 -6.288 1.00 0.00 H new ATOM 0 HB THR A 27 -19.686 4.290 -8.233 1.00 0.00 H new ATOM 0 HG1 THR A 27 -17.436 2.564 -8.721 1.00 0.00 H new ATOM 0 HG21 THR A 27 -17.916 4.946 -9.827 1.00 0.00 H new ATOM 0 HG22 THR A 27 -17.946 5.968 -8.370 1.00 0.00 H new ATOM 0 HG23 THR A 27 -16.704 4.706 -8.546 1.00 0.00 H new ATOM 84 N LYS A 28 -18.169 6.177 -5.727 1.00 0.00 N ATOM 85 CA LYS A 28 -17.408 7.312 -5.222 1.00 0.00 C ATOM 86 C LYS A 28 -16.719 6.939 -3.916 1.00 0.00 C ATOM 87 O LYS A 28 -15.557 7.281 -3.691 1.00 0.00 O ATOM 88 CB LYS A 28 -18.327 8.518 -5.009 1.00 0.00 C ATOM 89 CG LYS A 28 -18.020 9.686 -5.931 1.00 0.00 C ATOM 90 CD LYS A 28 -18.214 11.019 -5.227 1.00 0.00 C ATOM 91 CE LYS A 28 -17.011 11.377 -4.368 1.00 0.00 C ATOM 92 NZ LYS A 28 -17.306 11.244 -2.915 1.00 0.00 N ATOM 0 H LYS A 28 -19.172 6.345 -5.811 1.00 0.00 H new ATOM 0 HA LYS A 28 -16.649 7.579 -5.958 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -19.361 8.208 -5.161 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -18.243 8.850 -3.974 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -16.993 9.608 -6.288 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -18.667 9.639 -6.807 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -18.379 11.802 -5.967 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -19.107 10.976 -4.604 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -16.173 10.730 -4.629 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -16.703 12.400 -4.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -17.474 12.186 -2.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -18.153 10.654 -2.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -16.497 10.799 -2.436 1.00 0.00 H new ATOM 106 N GLU A 29 -17.443 6.221 -3.062 1.00 0.00 N ATOM 107 CA GLU A 29 -16.903 5.784 -1.783 1.00 0.00 C ATOM 108 C GLU A 29 -15.679 4.905 -2.002 1.00 0.00 C ATOM 109 O GLU A 29 -14.723 4.946 -1.228 1.00 0.00 O ATOM 110 CB GLU A 29 -17.964 5.017 -0.991 1.00 0.00 C ATOM 111 CG GLU A 29 -18.774 5.895 -0.051 1.00 0.00 C ATOM 112 CD GLU A 29 -17.903 6.674 0.915 1.00 0.00 C ATOM 113 OE1 GLU A 29 -17.001 6.064 1.526 1.00 0.00 O ATOM 114 OE2 GLU A 29 -18.124 7.895 1.061 1.00 0.00 O ATOM 0 H GLU A 29 -18.405 5.931 -3.235 1.00 0.00 H new ATOM 0 HA GLU A 29 -16.608 6.664 -1.212 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -18.641 4.525 -1.689 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -17.477 4.232 -0.412 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -19.373 6.592 -0.637 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -19.469 5.273 0.513 1.00 0.00 H new ATOM 121 N LEU A 30 -15.714 4.115 -3.071 1.00 0.00 N ATOM 122 CA LEU A 30 -14.604 3.231 -3.402 1.00 0.00 C ATOM 123 C LEU A 30 -13.344 4.047 -3.675 1.00 0.00 C ATOM 124 O LEU A 30 -12.284 3.776 -3.112 1.00 0.00 O ATOM 125 CB LEU A 30 -14.969 2.356 -4.609 1.00 0.00 C ATOM 126 CG LEU A 30 -13.824 2.019 -5.570 1.00 0.00 C ATOM 127 CD1 LEU A 30 -12.819 1.098 -4.898 1.00 0.00 C ATOM 128 CD2 LEU A 30 -14.367 1.384 -6.842 1.00 0.00 C ATOM 0 H LEU A 30 -16.498 4.070 -3.721 1.00 0.00 H new ATOM 0 HA LEU A 30 -14.404 2.575 -2.555 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -15.393 1.422 -4.240 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -15.753 2.861 -5.174 1.00 0.00 H new ATOM 0 HG LEU A 30 -13.314 2.944 -5.839 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -12.013 0.869 -5.595 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -12.408 1.590 -4.016 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -13.315 0.174 -4.600 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -13.541 1.151 -7.514 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -14.901 0.467 -6.592 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -15.049 2.078 -7.333 1.00 0.00 H new ATOM 140 N SER A 31 -13.471 5.060 -4.529 1.00 0.00 N ATOM 141 CA SER A 31 -12.343 5.926 -4.856 1.00 0.00 C ATOM 142 C SER A 31 -11.740 6.503 -3.580 1.00 0.00 C ATOM 143 O SER A 31 -10.554 6.824 -3.533 1.00 0.00 O ATOM 144 CB SER A 31 -12.787 7.057 -5.786 1.00 0.00 C ATOM 145 OG SER A 31 -11.674 7.666 -6.416 1.00 0.00 O ATOM 0 H SER A 31 -14.341 5.300 -5.005 1.00 0.00 H new ATOM 0 HA SER A 31 -11.587 5.332 -5.369 1.00 0.00 H new ATOM 0 HB2 SER A 31 -13.467 6.664 -6.542 1.00 0.00 H new ATOM 0 HB3 SER A 31 -13.340 7.804 -5.217 1.00 0.00 H new ATOM 0 HG SER A 31 -11.985 8.384 -7.006 1.00 0.00 H new ATOM 151 N ASN A 32 -12.563 6.612 -2.538 1.00 0.00 N ATOM 152 CA ASN A 32 -12.101 7.124 -1.257 1.00 0.00 C ATOM 153 C ASN A 32 -11.161 6.111 -0.617 1.00 0.00 C ATOM 154 O ASN A 32 -10.174 6.476 0.023 1.00 0.00 O ATOM 155 CB ASN A 32 -13.287 7.413 -0.333 1.00 0.00 C ATOM 156 CG ASN A 32 -13.466 8.895 -0.070 1.00 0.00 C ATOM 157 OD1 ASN A 32 -13.174 9.384 1.021 1.00 0.00 O ATOM 158 ND2 ASN A 32 -13.949 9.620 -1.073 1.00 0.00 N ATOM 0 H ASN A 32 -13.549 6.353 -2.559 1.00 0.00 H new ATOM 0 HA ASN A 32 -11.565 8.059 -1.419 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -14.198 7.013 -0.779 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -13.141 6.894 0.614 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -14.091 10.623 -0.955 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -14.178 9.173 -1.961 1.00 0.00 H new ATOM 165 N LEU A 33 -11.463 4.832 -0.825 1.00 0.00 N ATOM 166 CA LEU A 33 -10.633 3.756 -0.301 1.00 0.00 C ATOM 167 C LEU A 33 -9.373 3.648 -1.143 1.00 0.00 C ATOM 168 O LEU A 33 -8.276 3.443 -0.627 1.00 0.00 O ATOM 169 CB LEU A 33 -11.388 2.423 -0.316 1.00 0.00 C ATOM 170 CG LEU A 33 -12.897 2.515 -0.076 1.00 0.00 C ATOM 171 CD1 LEU A 33 -13.590 1.254 -0.566 1.00 0.00 C ATOM 172 CD2 LEU A 33 -13.190 2.753 1.398 1.00 0.00 C ATOM 0 H LEU A 33 -12.277 4.518 -1.353 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.372 3.982 0.733 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -11.220 1.942 -1.279 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -10.956 1.773 0.445 1.00 0.00 H new ATOM 0 HG LEU A 33 -13.286 3.362 -0.641 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -14.662 1.336 -0.388 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -13.408 1.130 -1.633 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -13.198 0.391 -0.028 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -14.268 2.816 1.549 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -12.788 1.928 1.987 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -12.724 3.686 1.716 1.00 0.00 H new ATOM 184 N ILE A 34 -9.546 3.818 -2.449 1.00 0.00 N ATOM 185 CA ILE A 34 -8.434 3.774 -3.383 1.00 0.00 C ATOM 186 C ILE A 34 -7.535 4.983 -3.158 1.00 0.00 C ATOM 187 O ILE A 34 -6.310 4.867 -3.136 1.00 0.00 O ATOM 188 CB ILE A 34 -8.940 3.754 -4.845 1.00 0.00 C ATOM 189 CG1 ILE A 34 -9.476 2.368 -5.200 1.00 0.00 C ATOM 190 CG2 ILE A 34 -7.846 4.163 -5.822 1.00 0.00 C ATOM 191 CD1 ILE A 34 -10.221 2.326 -6.515 1.00 0.00 C ATOM 0 H ILE A 34 -10.453 3.988 -2.884 1.00 0.00 H new ATOM 0 HA ILE A 34 -7.867 2.859 -3.209 1.00 0.00 H new ATOM 0 HB ILE A 34 -9.748 4.481 -4.927 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -8.644 1.665 -5.241 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -10.140 2.030 -4.405 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -8.238 4.137 -6.839 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -7.509 5.173 -5.589 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.007 3.472 -5.739 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -10.573 1.311 -6.702 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -11.074 3.003 -6.472 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -9.554 2.633 -7.321 1.00 0.00 H new ATOM 203 N GLU A 35 -8.159 6.144 -2.977 1.00 0.00 N ATOM 204 CA GLU A 35 -7.423 7.378 -2.736 1.00 0.00 C ATOM 205 C GLU A 35 -6.485 7.200 -1.551 1.00 0.00 C ATOM 206 O GLU A 35 -5.379 7.741 -1.530 1.00 0.00 O ATOM 207 CB GLU A 35 -8.388 8.535 -2.475 1.00 0.00 C ATOM 208 CG GLU A 35 -8.786 9.290 -3.733 1.00 0.00 C ATOM 209 CD GLU A 35 -8.357 10.745 -3.702 1.00 0.00 C ATOM 210 OE1 GLU A 35 -7.325 11.046 -3.067 1.00 0.00 O ATOM 211 OE2 GLU A 35 -9.053 11.582 -4.314 1.00 0.00 O ATOM 0 H GLU A 35 -9.173 6.254 -2.993 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.835 7.613 -3.623 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.286 8.147 -1.995 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.927 9.231 -1.774 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -8.341 8.803 -4.601 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -9.868 9.237 -3.857 1.00 0.00 H new ATOM 218 N THR A 36 -6.927 6.412 -0.575 1.00 0.00 N ATOM 219 CA THR A 36 -6.117 6.137 0.599 1.00 0.00 C ATOM 220 C THR A 36 -5.070 5.092 0.243 1.00 0.00 C ATOM 221 O THR A 36 -3.913 5.190 0.650 1.00 0.00 O ATOM 222 CB THR A 36 -6.999 5.669 1.766 1.00 0.00 C ATOM 223 OG1 THR A 36 -6.663 6.364 2.954 1.00 0.00 O ATOM 224 CG2 THR A 36 -6.899 4.186 2.064 1.00 0.00 C ATOM 0 H THR A 36 -7.839 5.956 -0.577 1.00 0.00 H new ATOM 0 HA THR A 36 -5.613 7.049 0.920 1.00 0.00 H new ATOM 0 HB THR A 36 -8.019 5.882 1.446 1.00 0.00 H new ATOM 0 HG1 THR A 36 -7.236 6.055 3.687 1.00 0.00 H new ATOM 0 HG21 THR A 36 -7.552 3.938 2.901 1.00 0.00 H new ATOM 0 HG22 THR A 36 -7.203 3.617 1.185 1.00 0.00 H new ATOM 0 HG23 THR A 36 -5.870 3.935 2.321 1.00 0.00 H new ATOM 232 N PHE A 37 -5.483 4.103 -0.547 1.00 0.00 N ATOM 233 CA PHE A 37 -4.576 3.055 -0.985 1.00 0.00 C ATOM 234 C PHE A 37 -3.440 3.673 -1.780 1.00 0.00 C ATOM 235 O PHE A 37 -2.283 3.291 -1.630 1.00 0.00 O ATOM 236 CB PHE A 37 -5.310 2.019 -1.837 1.00 0.00 C ATOM 237 CG PHE A 37 -4.583 0.704 -1.965 1.00 0.00 C ATOM 238 CD1 PHE A 37 -3.672 0.280 -1.000 1.00 0.00 C ATOM 239 CD2 PHE A 37 -4.806 -0.105 -3.065 1.00 0.00 C ATOM 240 CE1 PHE A 37 -3.006 -0.923 -1.141 1.00 0.00 C ATOM 241 CE2 PHE A 37 -4.144 -1.308 -3.206 1.00 0.00 C ATOM 242 CZ PHE A 37 -3.242 -1.716 -2.244 1.00 0.00 C ATOM 0 H PHE A 37 -6.438 4.009 -0.894 1.00 0.00 H new ATOM 0 HA PHE A 37 -4.176 2.548 -0.107 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -6.293 1.838 -1.403 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -5.472 2.431 -2.833 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -3.484 0.897 -0.134 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -5.508 0.209 -3.824 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.301 -1.242 -0.387 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -4.332 -1.930 -4.069 1.00 0.00 H new ATOM 0 HZ PHE A 37 -2.721 -2.656 -2.355 1.00 0.00 H new ATOM 252 N ALA A 38 -3.779 4.653 -2.615 1.00 0.00 N ATOM 253 CA ALA A 38 -2.783 5.348 -3.413 1.00 0.00 C ATOM 254 C ALA A 38 -1.762 6.008 -2.497 1.00 0.00 C ATOM 255 O ALA A 38 -0.563 6.008 -2.777 1.00 0.00 O ATOM 256 CB ALA A 38 -3.446 6.383 -4.306 1.00 0.00 C ATOM 0 H ALA A 38 -4.735 4.980 -2.753 1.00 0.00 H new ATOM 0 HA ALA A 38 -2.272 4.627 -4.051 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -2.686 6.894 -4.897 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -4.153 5.889 -4.973 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -3.976 7.109 -3.690 1.00 0.00 H new ATOM 262 N GLU A 39 -2.251 6.548 -1.383 1.00 0.00 N ATOM 263 CA GLU A 39 -1.387 7.188 -0.402 1.00 0.00 C ATOM 264 C GLU A 39 -0.592 6.119 0.339 1.00 0.00 C ATOM 265 O GLU A 39 0.625 6.224 0.491 1.00 0.00 O ATOM 266 CB GLU A 39 -2.226 8.036 0.570 1.00 0.00 C ATOM 267 CG GLU A 39 -1.833 7.902 2.036 1.00 0.00 C ATOM 268 CD GLU A 39 -2.264 9.095 2.866 1.00 0.00 C ATOM 269 OE1 GLU A 39 -3.481 9.247 3.100 1.00 0.00 O ATOM 270 OE2 GLU A 39 -1.384 9.878 3.282 1.00 0.00 O ATOM 0 H GLU A 39 -3.242 6.554 -1.140 1.00 0.00 H new ATOM 0 HA GLU A 39 -0.688 7.856 -0.905 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.144 9.084 0.280 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.274 7.757 0.462 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -2.281 6.997 2.447 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -0.752 7.784 2.109 1.00 0.00 H new ATOM 277 N GLN A 40 -1.293 5.077 0.777 1.00 0.00 N ATOM 278 CA GLN A 40 -0.663 3.970 1.477 1.00 0.00 C ATOM 279 C GLN A 40 0.358 3.302 0.564 1.00 0.00 C ATOM 280 O GLN A 40 1.432 2.893 1.004 1.00 0.00 O ATOM 281 CB GLN A 40 -1.715 2.953 1.923 1.00 0.00 C ATOM 282 CG GLN A 40 -2.800 3.544 2.809 1.00 0.00 C ATOM 283 CD GLN A 40 -2.421 3.538 4.275 1.00 0.00 C ATOM 284 OE1 GLN A 40 -1.259 3.332 4.628 1.00 0.00 O ATOM 285 NE2 GLN A 40 -3.402 3.764 5.139 1.00 0.00 N ATOM 0 H GLN A 40 -2.301 4.979 0.657 1.00 0.00 H new ATOM 0 HA GLN A 40 -0.157 4.353 2.363 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -2.179 2.513 1.040 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -1.220 2.144 2.460 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -3.004 4.567 2.494 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -3.722 2.979 2.674 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -4.350 3.930 4.802 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -3.208 3.772 6.140 1.00 0.00 H new ATOM 294 N SER A 41 0.016 3.218 -0.722 1.00 0.00 N ATOM 295 CA SER A 41 0.904 2.627 -1.712 1.00 0.00 C ATOM 296 C SER A 41 2.163 3.470 -1.816 1.00 0.00 C ATOM 297 O SER A 41 3.274 2.948 -1.891 1.00 0.00 O ATOM 298 CB SER A 41 0.211 2.539 -3.073 1.00 0.00 C ATOM 299 OG SER A 41 -0.899 1.659 -3.025 1.00 0.00 O ATOM 0 H SER A 41 -0.871 3.553 -1.098 1.00 0.00 H new ATOM 0 HA SER A 41 1.166 1.616 -1.401 1.00 0.00 H new ATOM 0 HB2 SER A 41 -0.120 3.531 -3.380 1.00 0.00 H new ATOM 0 HB3 SER A 41 0.921 2.193 -3.824 1.00 0.00 H new ATOM 0 HG SER A 41 -1.685 2.142 -2.696 1.00 0.00 H new ATOM 305 N ARG A 42 1.977 4.784 -1.773 1.00 0.00 N ATOM 306 CA ARG A 42 3.088 5.713 -1.812 1.00 0.00 C ATOM 307 C ARG A 42 3.859 5.568 -0.517 1.00 0.00 C ATOM 308 O ARG A 42 5.087 5.546 -0.493 1.00 0.00 O ATOM 309 CB ARG A 42 2.554 7.141 -1.968 1.00 0.00 C ATOM 310 CG ARG A 42 2.824 8.043 -0.775 1.00 0.00 C ATOM 311 CD ARG A 42 2.373 9.470 -1.039 1.00 0.00 C ATOM 312 NE ARG A 42 2.399 10.284 0.174 1.00 0.00 N ATOM 313 CZ ARG A 42 2.383 11.614 0.174 1.00 0.00 C ATOM 314 NH1 ARG A 42 2.337 12.284 -0.971 1.00 0.00 N ATOM 315 NH2 ARG A 42 2.411 12.277 1.322 1.00 0.00 N ATOM 0 H ARG A 42 1.060 5.227 -1.711 1.00 0.00 H new ATOM 0 HA ARG A 42 3.744 5.502 -2.657 1.00 0.00 H new ATOM 0 HB2 ARG A 42 3.001 7.589 -2.856 1.00 0.00 H new ATOM 0 HB3 ARG A 42 1.479 7.098 -2.140 1.00 0.00 H new ATOM 0 HG2 ARG A 42 2.306 7.653 0.101 1.00 0.00 H new ATOM 0 HG3 ARG A 42 3.889 8.034 -0.545 1.00 0.00 H new ATOM 0 HD2 ARG A 42 3.019 9.921 -1.793 1.00 0.00 H new ATOM 0 HD3 ARG A 42 1.363 9.461 -1.449 1.00 0.00 H new ATOM 0 HE ARG A 42 2.431 9.804 1.074 1.00 0.00 H new ATOM 0 HH11 ARG A 42 2.314 11.779 -1.857 1.00 0.00 H new ATOM 0 HH12 ARG A 42 2.325 13.304 -0.965 1.00 0.00 H new ATOM 0 HH21 ARG A 42 2.445 11.767 2.205 1.00 0.00 H new ATOM 0 HH22 ARG A 42 2.399 13.297 1.322 1.00 0.00 H new ATOM 329 N VAL A 43 3.098 5.449 0.558 1.00 0.00 N ATOM 330 CA VAL A 43 3.653 5.280 1.884 1.00 0.00 C ATOM 331 C VAL A 43 4.538 4.043 1.925 1.00 0.00 C ATOM 332 O VAL A 43 5.693 4.112 2.334 1.00 0.00 O ATOM 333 CB VAL A 43 2.528 5.172 2.929 1.00 0.00 C ATOM 334 CG1 VAL A 43 2.961 4.364 4.140 1.00 0.00 C ATOM 335 CG2 VAL A 43 2.080 6.557 3.343 1.00 0.00 C ATOM 0 H VAL A 43 2.078 5.467 0.533 1.00 0.00 H new ATOM 0 HA VAL A 43 4.260 6.153 2.124 1.00 0.00 H new ATOM 0 HB VAL A 43 1.690 4.644 2.473 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.140 4.311 4.854 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.235 3.357 3.826 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.820 4.844 4.610 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.284 6.476 4.083 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.922 7.098 3.774 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.711 7.096 2.470 1.00 0.00 H new ATOM 345 N LEU A 44 4.006 2.913 1.473 1.00 0.00 N ATOM 346 CA LEU A 44 4.787 1.687 1.447 1.00 0.00 C ATOM 347 C LEU A 44 6.100 1.958 0.724 1.00 0.00 C ATOM 348 O LEU A 44 7.172 1.655 1.234 1.00 0.00 O ATOM 349 CB LEU A 44 4.008 0.555 0.756 1.00 0.00 C ATOM 350 CG LEU A 44 3.979 -0.804 1.485 1.00 0.00 C ATOM 351 CD1 LEU A 44 5.116 -1.701 1.014 1.00 0.00 C ATOM 352 CD2 LEU A 44 4.035 -0.632 2.997 1.00 0.00 C ATOM 0 H LEU A 44 3.052 2.822 1.125 1.00 0.00 H new ATOM 0 HA LEU A 44 4.992 1.366 2.468 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.980 0.887 0.612 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.436 0.402 -0.235 1.00 0.00 H new ATOM 0 HG LEU A 44 3.032 -1.282 1.236 1.00 0.00 H new ATOM 0 HD11 LEU A 44 5.072 -2.653 1.544 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.020 -1.877 -0.057 1.00 0.00 H new ATOM 0 HD13 LEU A 44 6.071 -1.216 1.218 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.013 -1.611 3.476 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.955 -0.115 3.271 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.178 -0.046 3.329 1.00 0.00 H new ATOM 364 N GLU A 45 6.007 2.574 -0.450 1.00 0.00 N ATOM 365 CA GLU A 45 7.196 2.916 -1.216 1.00 0.00 C ATOM 366 C GLU A 45 8.043 3.927 -0.444 1.00 0.00 C ATOM 367 O GLU A 45 9.266 3.955 -0.570 1.00 0.00 O ATOM 368 CB GLU A 45 6.801 3.454 -2.605 1.00 0.00 C ATOM 369 CG GLU A 45 6.742 4.974 -2.719 1.00 0.00 C ATOM 370 CD GLU A 45 7.880 5.540 -3.546 1.00 0.00 C ATOM 371 OE1 GLU A 45 8.937 4.879 -3.632 1.00 0.00 O ATOM 372 OE2 GLU A 45 7.716 6.643 -4.108 1.00 0.00 O ATOM 0 H GLU A 45 5.126 2.844 -0.888 1.00 0.00 H new ATOM 0 HA GLU A 45 7.797 2.019 -1.367 1.00 0.00 H new ATOM 0 HB2 GLU A 45 7.514 3.078 -3.339 1.00 0.00 H new ATOM 0 HB3 GLU A 45 5.825 3.047 -2.871 1.00 0.00 H new ATOM 0 HG2 GLU A 45 5.792 5.265 -3.167 1.00 0.00 H new ATOM 0 HG3 GLU A 45 6.770 5.411 -1.721 1.00 0.00 H new ATOM 379 N LYS A 46 7.375 4.748 0.366 1.00 0.00 N ATOM 380 CA LYS A 46 8.057 5.752 1.173 1.00 0.00 C ATOM 381 C LYS A 46 8.827 5.077 2.304 1.00 0.00 C ATOM 382 O LYS A 46 10.028 5.293 2.474 1.00 0.00 O ATOM 383 CB LYS A 46 7.046 6.783 1.712 1.00 0.00 C ATOM 384 CG LYS A 46 6.722 6.661 3.199 1.00 0.00 C ATOM 385 CD LYS A 46 5.791 7.768 3.663 1.00 0.00 C ATOM 386 CE LYS A 46 5.300 7.521 5.080 1.00 0.00 C ATOM 387 NZ LYS A 46 4.159 8.409 5.436 1.00 0.00 N ATOM 0 H LYS A 46 6.361 4.735 0.479 1.00 0.00 H new ATOM 0 HA LYS A 46 8.774 6.287 0.551 1.00 0.00 H new ATOM 0 HB2 LYS A 46 7.436 7.783 1.522 1.00 0.00 H new ATOM 0 HB3 LYS A 46 6.119 6.689 1.146 1.00 0.00 H new ATOM 0 HG2 LYS A 46 6.261 5.692 3.393 1.00 0.00 H new ATOM 0 HG3 LYS A 46 7.646 6.696 3.777 1.00 0.00 H new ATOM 0 HD2 LYS A 46 6.310 8.725 3.618 1.00 0.00 H new ATOM 0 HD3 LYS A 46 4.938 7.836 2.987 1.00 0.00 H new ATOM 0 HE2 LYS A 46 4.995 6.480 5.182 1.00 0.00 H new ATOM 0 HE3 LYS A 46 6.119 7.683 5.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 4.487 9.151 6.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 3.779 8.848 4.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 3.414 7.849 5.897 1.00 0.00 H new ATOM 401 N GLU A 47 8.132 4.237 3.062 1.00 0.00 N ATOM 402 CA GLU A 47 8.756 3.513 4.154 1.00 0.00 C ATOM 403 C GLU A 47 9.730 2.483 3.602 1.00 0.00 C ATOM 404 O GLU A 47 10.756 2.193 4.210 1.00 0.00 O ATOM 405 CB GLU A 47 7.697 2.817 5.013 1.00 0.00 C ATOM 406 CG GLU A 47 6.933 3.747 5.945 1.00 0.00 C ATOM 407 CD GLU A 47 7.804 4.828 6.560 1.00 0.00 C ATOM 408 OE1 GLU A 47 8.410 4.571 7.621 1.00 0.00 O ATOM 409 OE2 GLU A 47 7.880 5.931 5.978 1.00 0.00 O ATOM 0 H GLU A 47 7.138 4.043 2.938 1.00 0.00 H new ATOM 0 HA GLU A 47 9.297 4.225 4.777 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.986 2.316 4.356 1.00 0.00 H new ATOM 0 HB3 GLU A 47 8.181 2.043 5.608 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.119 4.216 5.392 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.479 3.159 6.742 1.00 0.00 H new ATOM 416 N CYS A 48 9.395 1.937 2.438 1.00 0.00 N ATOM 417 CA CYS A 48 10.229 0.936 1.788 1.00 0.00 C ATOM 418 C CYS A 48 11.502 1.558 1.227 1.00 0.00 C ATOM 419 O CYS A 48 12.539 0.898 1.145 1.00 0.00 O ATOM 420 CB CYS A 48 9.449 0.249 0.665 1.00 0.00 C ATOM 421 SG CYS A 48 8.131 -0.844 1.246 1.00 0.00 S ATOM 0 H CYS A 48 8.546 2.173 1.924 1.00 0.00 H new ATOM 0 HA CYS A 48 10.512 0.197 2.537 1.00 0.00 H new ATOM 0 HB2 CYS A 48 9.015 1.012 0.018 1.00 0.00 H new ATOM 0 HB3 CYS A 48 10.143 -0.329 0.055 1.00 0.00 H new ATOM 0 HG CYS A 48 8.630 -1.737 2.049 1.00 0.00 H new ATOM 427 N THR A 49 11.425 2.827 0.835 1.00 0.00 N ATOM 428 CA THR A 49 12.585 3.514 0.280 1.00 0.00 C ATOM 429 C THR A 49 13.604 3.835 1.369 1.00 0.00 C ATOM 430 O THR A 49 14.802 3.921 1.101 1.00 0.00 O ATOM 431 CB THR A 49 12.163 4.792 -0.455 1.00 0.00 C ATOM 432 OG1 THR A 49 13.223 5.275 -1.261 1.00 0.00 O ATOM 433 CG2 THR A 49 11.741 5.921 0.464 1.00 0.00 C ATOM 0 H THR A 49 10.580 3.395 0.891 1.00 0.00 H new ATOM 0 HA THR A 49 13.056 2.844 -0.439 1.00 0.00 H new ATOM 0 HB THR A 49 11.300 4.500 -1.053 1.00 0.00 H new ATOM 0 HG1 THR A 49 12.937 6.090 -1.724 1.00 0.00 H new ATOM 0 HG21 THR A 49 11.458 6.789 -0.132 1.00 0.00 H new ATOM 0 HG22 THR A 49 10.891 5.601 1.067 1.00 0.00 H new ATOM 0 HG23 THR A 49 12.571 6.186 1.119 1.00 0.00 H new ATOM 441 N LYS A 50 13.126 4.019 2.598 1.00 0.00 N ATOM 442 CA LYS A 50 14.013 4.336 3.710 1.00 0.00 C ATOM 443 C LYS A 50 14.566 3.072 4.371 1.00 0.00 C ATOM 444 O LYS A 50 15.610 3.119 5.022 1.00 0.00 O ATOM 445 CB LYS A 50 13.293 5.214 4.740 1.00 0.00 C ATOM 446 CG LYS A 50 12.411 4.445 5.711 1.00 0.00 C ATOM 447 CD LYS A 50 11.152 5.226 6.049 1.00 0.00 C ATOM 448 CE LYS A 50 11.473 6.477 6.848 1.00 0.00 C ATOM 449 NZ LYS A 50 10.260 7.305 7.094 1.00 0.00 N ATOM 0 H LYS A 50 12.139 3.954 2.846 1.00 0.00 H new ATOM 0 HA LYS A 50 14.860 4.892 3.307 1.00 0.00 H new ATOM 0 HB2 LYS A 50 14.037 5.772 5.308 1.00 0.00 H new ATOM 0 HB3 LYS A 50 12.681 5.945 4.212 1.00 0.00 H new ATOM 0 HG2 LYS A 50 12.139 3.483 5.276 1.00 0.00 H new ATOM 0 HG3 LYS A 50 12.968 4.236 6.624 1.00 0.00 H new ATOM 0 HD2 LYS A 50 10.636 5.502 5.130 1.00 0.00 H new ATOM 0 HD3 LYS A 50 10.472 4.593 6.619 1.00 0.00 H new ATOM 0 HE2 LYS A 50 11.919 6.194 7.802 1.00 0.00 H new ATOM 0 HE3 LYS A 50 12.215 7.070 6.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 10.379 8.236 6.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.428 6.830 6.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 10.125 7.428 8.118 1.00 0.00 H new ATOM 463 N ILE A 51 13.875 1.940 4.202 1.00 0.00 N ATOM 464 CA ILE A 51 14.331 0.680 4.791 1.00 0.00 C ATOM 465 C ILE A 51 15.815 0.460 4.512 1.00 0.00 C ATOM 466 O ILE A 51 16.257 0.503 3.364 1.00 0.00 O ATOM 467 CB ILE A 51 13.526 -0.530 4.259 1.00 0.00 C ATOM 468 CG1 ILE A 51 12.095 -0.499 4.814 1.00 0.00 C ATOM 469 CG2 ILE A 51 14.220 -1.846 4.614 1.00 0.00 C ATOM 470 CD1 ILE A 51 11.967 -1.033 6.224 1.00 0.00 C ATOM 0 H ILE A 51 13.008 1.871 3.669 1.00 0.00 H new ATOM 0 HA ILE A 51 14.168 0.755 5.866 1.00 0.00 H new ATOM 0 HB ILE A 51 13.478 -0.462 3.172 1.00 0.00 H new ATOM 0 HG12 ILE A 51 11.730 0.528 4.791 1.00 0.00 H new ATOM 0 HG13 ILE A 51 11.449 -1.081 4.157 1.00 0.00 H new ATOM 0 HG21 ILE A 51 13.635 -2.681 4.229 1.00 0.00 H new ATOM 0 HG22 ILE A 51 15.215 -1.864 4.169 1.00 0.00 H new ATOM 0 HG23 ILE A 51 14.306 -1.932 5.697 1.00 0.00 H new ATOM 0 HD11 ILE A 51 10.926 -0.976 6.541 1.00 0.00 H new ATOM 0 HD12 ILE A 51 12.299 -2.071 6.251 1.00 0.00 H new ATOM 0 HD13 ILE A 51 12.584 -0.437 6.896 1.00 0.00 H new ATOM 606 N LEU A 60 10.262 0.517 12.203 1.00 0.00 N ATOM 607 CA LEU A 60 9.871 0.915 10.860 1.00 0.00 C ATOM 608 C LEU A 60 9.289 -0.284 10.121 1.00 0.00 C ATOM 609 O LEU A 60 8.118 -0.276 9.742 1.00 0.00 O ATOM 610 CB LEU A 60 11.074 1.507 10.106 1.00 0.00 C ATOM 611 CG LEU A 60 11.147 1.201 8.605 1.00 0.00 C ATOM 612 CD1 LEU A 60 9.829 1.537 7.921 1.00 0.00 C ATOM 613 CD2 LEU A 60 12.292 1.971 7.964 1.00 0.00 C ATOM 0 HA LEU A 60 9.105 1.688 10.919 1.00 0.00 H new ATOM 0 HB2 LEU A 60 11.061 2.589 10.235 1.00 0.00 H new ATOM 0 HB3 LEU A 60 11.987 1.141 10.576 1.00 0.00 H new ATOM 0 HG LEU A 60 11.332 0.134 8.480 1.00 0.00 H new ATOM 0 HD11 LEU A 60 9.904 1.312 6.857 1.00 0.00 H new ATOM 0 HD12 LEU A 60 9.028 0.943 8.362 1.00 0.00 H new ATOM 0 HD13 LEU A 60 9.610 2.597 8.053 1.00 0.00 H new ATOM 0 HD21 LEU A 60 12.332 1.744 6.899 1.00 0.00 H new ATOM 0 HD22 LEU A 60 12.133 3.041 8.101 1.00 0.00 H new ATOM 0 HD23 LEU A 60 13.233 1.681 8.432 1.00 0.00 H new ATOM 625 N ARG A 61 10.101 -1.322 9.928 1.00 0.00 N ATOM 626 CA ARG A 61 9.624 -2.519 9.245 1.00 0.00 C ATOM 627 C ARG A 61 8.433 -3.102 9.993 1.00 0.00 C ATOM 628 O ARG A 61 7.500 -3.625 9.384 1.00 0.00 O ATOM 629 CB ARG A 61 10.725 -3.576 9.088 1.00 0.00 C ATOM 630 CG ARG A 61 11.778 -3.579 10.186 1.00 0.00 C ATOM 631 CD ARG A 61 13.164 -3.803 9.609 1.00 0.00 C ATOM 632 NE ARG A 61 13.714 -2.599 8.993 1.00 0.00 N ATOM 633 CZ ARG A 61 14.953 -2.518 8.514 1.00 0.00 C ATOM 634 NH1 ARG A 61 15.765 -3.566 8.574 1.00 0.00 N ATOM 635 NH2 ARG A 61 15.382 -1.388 7.972 1.00 0.00 N ATOM 0 H ARG A 61 11.075 -1.358 10.229 1.00 0.00 H new ATOM 0 HA ARG A 61 9.317 -2.225 8.241 1.00 0.00 H new ATOM 0 HB2 ARG A 61 10.259 -4.561 9.050 1.00 0.00 H new ATOM 0 HB3 ARG A 61 11.222 -3.421 8.130 1.00 0.00 H new ATOM 0 HG2 ARG A 61 11.752 -2.630 10.722 1.00 0.00 H new ATOM 0 HG3 ARG A 61 11.551 -4.361 10.911 1.00 0.00 H new ATOM 0 HD2 ARG A 61 13.833 -4.141 10.400 1.00 0.00 H new ATOM 0 HD3 ARG A 61 13.121 -4.600 8.867 1.00 0.00 H new ATOM 0 HE ARG A 61 13.116 -1.775 8.926 1.00 0.00 H new ATOM 0 HH11 ARG A 61 15.441 -4.439 8.989 1.00 0.00 H new ATOM 0 HH12 ARG A 61 16.714 -3.498 8.205 1.00 0.00 H new ATOM 0 HH21 ARG A 61 14.763 -0.579 7.922 1.00 0.00 H new ATOM 0 HH22 ARG A 61 16.332 -1.327 7.605 1.00 0.00 H new ATOM 649 N TYR A 62 8.450 -2.974 11.319 1.00 0.00 N ATOM 650 CA TYR A 62 7.345 -3.456 12.134 1.00 0.00 C ATOM 651 C TYR A 62 6.118 -2.616 11.834 1.00 0.00 C ATOM 652 O TYR A 62 5.048 -3.139 11.542 1.00 0.00 O ATOM 653 CB TYR A 62 7.693 -3.381 13.622 1.00 0.00 C ATOM 654 CG TYR A 62 7.908 -4.735 14.258 1.00 0.00 C ATOM 655 CD1 TYR A 62 6.841 -5.455 14.777 1.00 0.00 C ATOM 656 CD2 TYR A 62 9.177 -5.294 14.337 1.00 0.00 C ATOM 657 CE1 TYR A 62 7.030 -6.693 15.359 1.00 0.00 C ATOM 658 CE2 TYR A 62 9.376 -6.533 14.917 1.00 0.00 C ATOM 659 CZ TYR A 62 8.299 -7.228 15.427 1.00 0.00 C ATOM 660 OH TYR A 62 8.492 -8.462 16.006 1.00 0.00 O ATOM 0 H TYR A 62 9.211 -2.544 11.845 1.00 0.00 H new ATOM 0 HA TYR A 62 7.146 -4.500 11.894 1.00 0.00 H new ATOM 0 HB2 TYR A 62 8.595 -2.782 13.747 1.00 0.00 H new ATOM 0 HB3 TYR A 62 6.892 -2.864 14.149 1.00 0.00 H new ATOM 0 HD1 TYR A 62 5.845 -5.040 14.725 1.00 0.00 H new ATOM 0 HD2 TYR A 62 10.022 -4.752 13.939 1.00 0.00 H new ATOM 0 HE1 TYR A 62 6.188 -7.239 15.759 1.00 0.00 H new ATOM 0 HE2 TYR A 62 10.369 -6.954 14.971 1.00 0.00 H new ATOM 0 HH TYR A 62 9.444 -8.694 15.972 1.00 0.00 H new ATOM 670 N LYS A 63 6.296 -1.301 11.871 1.00 0.00 N ATOM 671 CA LYS A 63 5.218 -0.375 11.567 1.00 0.00 C ATOM 672 C LYS A 63 4.696 -0.648 10.160 1.00 0.00 C ATOM 673 O LYS A 63 3.495 -0.591 9.902 1.00 0.00 O ATOM 674 CB LYS A 63 5.726 1.067 11.688 1.00 0.00 C ATOM 675 CG LYS A 63 4.773 2.119 11.142 1.00 0.00 C ATOM 676 CD LYS A 63 5.528 3.306 10.565 1.00 0.00 C ATOM 677 CE LYS A 63 5.664 3.200 9.054 1.00 0.00 C ATOM 678 NZ LYS A 63 4.793 4.181 8.349 1.00 0.00 N ATOM 0 H LYS A 63 7.181 -0.853 12.110 1.00 0.00 H new ATOM 0 HA LYS A 63 4.402 -0.514 12.276 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.922 1.283 12.738 1.00 0.00 H new ATOM 0 HB3 LYS A 63 6.677 1.149 11.163 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.144 1.676 10.370 1.00 0.00 H new ATOM 0 HG3 LYS A 63 4.110 2.459 11.937 1.00 0.00 H new ATOM 0 HD2 LYS A 63 5.007 4.229 10.820 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.518 3.363 11.017 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.703 3.367 8.770 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.405 2.190 8.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 4.112 3.673 7.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 4.279 4.754 9.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 5.379 4.803 7.756 1.00 0.00 H new ATOM 692 N ILE A 64 5.618 -0.951 9.255 1.00 0.00 N ATOM 693 CA ILE A 64 5.277 -1.242 7.877 1.00 0.00 C ATOM 694 C ILE A 64 4.412 -2.503 7.766 1.00 0.00 C ATOM 695 O ILE A 64 3.335 -2.479 7.170 1.00 0.00 O ATOM 696 CB ILE A 64 6.571 -1.400 7.034 1.00 0.00 C ATOM 697 CG1 ILE A 64 6.746 -0.195 6.110 1.00 0.00 C ATOM 698 CG2 ILE A 64 6.577 -2.694 6.234 1.00 0.00 C ATOM 699 CD1 ILE A 64 7.868 -0.346 5.101 1.00 0.00 C ATOM 0 H ILE A 64 6.616 -1.001 9.458 1.00 0.00 H new ATOM 0 HA ILE A 64 4.694 -0.406 7.489 1.00 0.00 H new ATOM 0 HB ILE A 64 7.413 -1.447 7.725 1.00 0.00 H new ATOM 0 HG12 ILE A 64 5.812 -0.022 5.575 1.00 0.00 H new ATOM 0 HG13 ILE A 64 6.935 0.690 6.717 1.00 0.00 H new ATOM 0 HG21 ILE A 64 7.501 -2.762 5.660 1.00 0.00 H new ATOM 0 HG22 ILE A 64 6.509 -3.543 6.914 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.725 -2.705 5.554 1.00 0.00 H new ATOM 0 HD11 ILE A 64 7.926 0.551 4.484 1.00 0.00 H new ATOM 0 HD12 ILE A 64 8.813 -0.487 5.626 1.00 0.00 H new ATOM 0 HD13 ILE A 64 7.673 -1.211 4.467 1.00 0.00 H new ATOM 711 N GLU A 65 4.903 -3.607 8.322 1.00 0.00 N ATOM 712 CA GLU A 65 4.194 -4.883 8.259 1.00 0.00 C ATOM 713 C GLU A 65 3.043 -4.971 9.261 1.00 0.00 C ATOM 714 O GLU A 65 2.076 -5.694 9.032 1.00 0.00 O ATOM 715 CB GLU A 65 5.171 -6.035 8.499 1.00 0.00 C ATOM 716 CG GLU A 65 6.160 -6.242 7.364 1.00 0.00 C ATOM 717 CD GLU A 65 6.506 -7.703 7.151 1.00 0.00 C ATOM 718 OE1 GLU A 65 5.722 -8.405 6.478 1.00 0.00 O ATOM 719 OE2 GLU A 65 7.559 -8.144 7.656 1.00 0.00 O ATOM 0 H GLU A 65 5.791 -3.644 8.822 1.00 0.00 H new ATOM 0 HA GLU A 65 3.761 -4.956 7.261 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.722 -5.846 9.420 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.605 -6.955 8.649 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.742 -5.834 6.444 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.072 -5.684 7.575 1.00 0.00 H new ATOM 726 N THR A 66 3.158 -4.268 10.381 1.00 0.00 N ATOM 727 CA THR A 66 2.130 -4.313 11.407 1.00 0.00 C ATOM 728 C THR A 66 1.118 -3.172 11.278 1.00 0.00 C ATOM 729 O THR A 66 0.063 -3.209 11.912 1.00 0.00 O ATOM 730 CB THR A 66 2.780 -4.275 12.786 1.00 0.00 C ATOM 731 OG1 THR A 66 3.214 -2.965 13.106 1.00 0.00 O ATOM 732 CG2 THR A 66 3.970 -5.202 12.914 1.00 0.00 C ATOM 0 H THR A 66 3.950 -3.663 10.599 1.00 0.00 H new ATOM 0 HA THR A 66 1.580 -5.245 11.275 1.00 0.00 H new ATOM 0 HB THR A 66 2.006 -4.609 13.476 1.00 0.00 H new ATOM 0 HG1 THR A 66 3.718 -2.594 12.352 1.00 0.00 H new ATOM 0 HG21 THR A 66 4.384 -5.125 13.919 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.653 -6.228 12.729 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.730 -4.921 12.186 1.00 0.00 H new ATOM 740 N GLU A 67 1.431 -2.153 10.477 1.00 0.00 N ATOM 741 CA GLU A 67 0.516 -1.023 10.320 1.00 0.00 C ATOM 742 C GLU A 67 0.275 -0.666 8.849 1.00 0.00 C ATOM 743 O GLU A 67 -0.872 -0.526 8.425 1.00 0.00 O ATOM 744 CB GLU A 67 1.040 0.195 11.099 1.00 0.00 C ATOM 745 CG GLU A 67 0.933 1.519 10.352 1.00 0.00 C ATOM 746 CD GLU A 67 1.328 2.705 11.209 1.00 0.00 C ATOM 747 OE1 GLU A 67 1.319 2.570 12.451 1.00 0.00 O ATOM 748 OE2 GLU A 67 1.648 3.769 10.638 1.00 0.00 O ATOM 0 H GLU A 67 2.294 -2.086 9.937 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.448 -1.323 10.732 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.488 0.276 12.036 1.00 0.00 H new ATOM 0 HB3 GLU A 67 2.085 0.022 11.358 1.00 0.00 H new ATOM 0 HG2 GLU A 67 1.570 1.486 9.468 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.091 1.653 10.002 1.00 0.00 H new ATOM 755 N LEU A 68 1.346 -0.496 8.078 1.00 0.00 N ATOM 756 CA LEU A 68 1.206 -0.129 6.669 1.00 0.00 C ATOM 757 C LEU A 68 0.560 -1.249 5.858 1.00 0.00 C ATOM 758 O LEU A 68 -0.651 -1.240 5.644 1.00 0.00 O ATOM 759 CB LEU A 68 2.561 0.253 6.067 1.00 0.00 C ATOM 760 CG LEU A 68 3.146 1.574 6.571 1.00 0.00 C ATOM 761 CD1 LEU A 68 4.385 1.946 5.771 1.00 0.00 C ATOM 762 CD2 LEU A 68 2.107 2.684 6.495 1.00 0.00 C ATOM 0 H LEU A 68 2.308 -0.604 8.398 1.00 0.00 H new ATOM 0 HA LEU A 68 0.548 0.739 6.623 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.273 -0.545 6.277 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.457 0.310 4.983 1.00 0.00 H new ATOM 0 HG LEU A 68 3.434 1.447 7.614 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.789 2.888 6.142 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.135 1.163 5.877 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.120 2.054 4.719 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.542 3.615 6.858 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.786 2.812 5.461 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.248 2.421 7.112 1.00 0.00 H new ATOM 774 N ILE A 69 1.372 -2.205 5.399 1.00 0.00 N ATOM 775 CA ILE A 69 0.878 -3.329 4.599 1.00 0.00 C ATOM 776 C ILE A 69 -0.513 -3.784 5.056 1.00 0.00 C ATOM 777 O ILE A 69 -1.467 -3.748 4.279 1.00 0.00 O ATOM 778 CB ILE A 69 1.871 -4.519 4.641 1.00 0.00 C ATOM 779 CG1 ILE A 69 2.958 -4.328 3.580 1.00 0.00 C ATOM 780 CG2 ILE A 69 1.162 -5.853 4.431 1.00 0.00 C ATOM 781 CD1 ILE A 69 4.350 -4.652 4.072 1.00 0.00 C ATOM 0 H ILE A 69 2.378 -2.223 5.568 1.00 0.00 H new ATOM 0 HA ILE A 69 0.795 -2.978 3.570 1.00 0.00 H new ATOM 0 HB ILE A 69 2.327 -4.539 5.631 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.730 -4.959 2.721 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.936 -3.295 3.232 1.00 0.00 H new ATOM 0 HG21 ILE A 69 1.891 -6.662 4.467 1.00 0.00 H new ATOM 0 HG22 ILE A 69 0.420 -5.998 5.216 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.668 -5.853 3.460 1.00 0.00 H new ATOM 0 HD11 ILE A 69 5.067 -4.493 3.266 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.599 -4.004 4.912 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.389 -5.693 4.393 1.00 0.00 H new ATOM 793 N PRO A 70 -0.651 -4.213 6.322 1.00 0.00 N ATOM 794 CA PRO A 70 -1.933 -4.663 6.864 1.00 0.00 C ATOM 795 C PRO A 70 -3.055 -3.676 6.567 1.00 0.00 C ATOM 796 O PRO A 70 -4.194 -4.069 6.321 1.00 0.00 O ATOM 797 CB PRO A 70 -1.688 -4.751 8.379 1.00 0.00 C ATOM 798 CG PRO A 70 -0.341 -4.146 8.613 1.00 0.00 C ATOM 799 CD PRO A 70 0.415 -4.290 7.325 1.00 0.00 C ATOM 0 HA PRO A 70 -2.248 -5.608 6.422 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -2.459 -4.213 8.931 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -1.716 -5.786 8.720 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -0.430 -3.097 8.897 1.00 0.00 H new ATOM 0 HG3 PRO A 70 0.177 -4.653 9.427 1.00 0.00 H new ATOM 0 HD2 PRO A 70 1.152 -3.497 7.196 1.00 0.00 H new ATOM 0 HD3 PRO A 70 0.953 -5.237 7.274 1.00 0.00 H new ATOM 807 N ASN A 71 -2.719 -2.392 6.590 1.00 0.00 N ATOM 808 CA ASN A 71 -3.690 -1.340 6.322 1.00 0.00 C ATOM 809 C ASN A 71 -3.864 -1.131 4.822 1.00 0.00 C ATOM 810 O ASN A 71 -4.974 -0.893 4.345 1.00 0.00 O ATOM 811 CB ASN A 71 -3.251 -0.034 6.987 1.00 0.00 C ATOM 812 CG ASN A 71 -4.307 1.050 6.895 1.00 0.00 C ATOM 813 OD1 ASN A 71 -5.291 0.916 6.167 1.00 0.00 O ATOM 814 ND2 ASN A 71 -4.107 2.134 7.637 1.00 0.00 N ATOM 0 H ASN A 71 -1.778 -2.054 6.792 1.00 0.00 H new ATOM 0 HA ASN A 71 -4.649 -1.647 6.739 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -3.021 -0.224 8.035 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -2.332 0.318 6.517 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -4.783 2.897 7.617 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -3.277 2.203 8.226 1.00 0.00 H new ATOM 821 N CYS A 72 -2.765 -1.230 4.080 1.00 0.00 N ATOM 822 CA CYS A 72 -2.810 -1.058 2.633 1.00 0.00 C ATOM 823 C CYS A 72 -3.627 -2.174 1.999 1.00 0.00 C ATOM 824 O CYS A 72 -4.565 -1.918 1.244 1.00 0.00 O ATOM 825 CB CYS A 72 -1.398 -1.037 2.034 1.00 0.00 C ATOM 826 SG CYS A 72 -0.175 -0.136 3.015 1.00 0.00 S ATOM 0 H CYS A 72 -1.837 -1.427 4.455 1.00 0.00 H new ATOM 0 HA CYS A 72 -3.284 -0.100 2.421 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -1.057 -2.064 1.907 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -1.446 -0.592 1.040 1.00 0.00 H new ATOM 0 HG CYS A 72 -0.543 -0.123 4.262 1.00 0.00 H new ATOM 832 N THR A 73 -3.275 -3.414 2.321 1.00 0.00 N ATOM 833 CA THR A 73 -3.992 -4.562 1.789 1.00 0.00 C ATOM 834 C THR A 73 -5.420 -4.574 2.323 1.00 0.00 C ATOM 835 O THR A 73 -6.366 -4.848 1.588 1.00 0.00 O ATOM 836 CB THR A 73 -3.271 -5.865 2.148 1.00 0.00 C ATOM 837 OG1 THR A 73 -3.621 -6.897 1.243 1.00 0.00 O ATOM 838 CG2 THR A 73 -3.577 -6.359 3.545 1.00 0.00 C ATOM 0 H THR A 73 -2.502 -3.647 2.944 1.00 0.00 H new ATOM 0 HA THR A 73 -4.023 -4.483 0.702 1.00 0.00 H new ATOM 0 HB THR A 73 -2.208 -5.629 2.090 1.00 0.00 H new ATOM 0 HG1 THR A 73 -3.149 -7.720 1.488 1.00 0.00 H new ATOM 0 HG21 THR A 73 -3.033 -7.285 3.731 1.00 0.00 H new ATOM 0 HG22 THR A 73 -3.272 -5.606 4.272 1.00 0.00 H new ATOM 0 HG23 THR A 73 -4.647 -6.542 3.640 1.00 0.00 H new ATOM 846 N SER A 74 -5.577 -4.249 3.605 1.00 0.00 N ATOM 847 CA SER A 74 -6.902 -4.200 4.210 1.00 0.00 C ATOM 848 C SER A 74 -7.771 -3.222 3.434 1.00 0.00 C ATOM 849 O SER A 74 -8.977 -3.416 3.284 1.00 0.00 O ATOM 850 CB SER A 74 -6.812 -3.777 5.678 1.00 0.00 C ATOM 851 OG SER A 74 -8.093 -3.466 6.198 1.00 0.00 O ATOM 0 H SER A 74 -4.811 -4.018 4.237 1.00 0.00 H new ATOM 0 HA SER A 74 -7.347 -5.194 4.172 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.363 -4.579 6.264 1.00 0.00 H new ATOM 0 HB3 SER A 74 -6.158 -2.910 5.771 1.00 0.00 H new ATOM 0 HG SER A 74 -8.009 -3.200 7.138 1.00 0.00 H new ATOM 857 N VAL A 75 -7.127 -2.177 2.921 1.00 0.00 N ATOM 858 CA VAL A 75 -7.805 -1.168 2.132 1.00 0.00 C ATOM 859 C VAL A 75 -8.237 -1.764 0.789 1.00 0.00 C ATOM 860 O VAL A 75 -9.226 -1.333 0.196 1.00 0.00 O ATOM 861 CB VAL A 75 -6.886 0.068 1.938 1.00 0.00 C ATOM 862 CG1 VAL A 75 -6.663 0.400 0.472 1.00 0.00 C ATOM 863 CG2 VAL A 75 -7.444 1.274 2.679 1.00 0.00 C ATOM 0 H VAL A 75 -6.128 -2.012 3.043 1.00 0.00 H new ATOM 0 HA VAL A 75 -8.700 -0.835 2.658 1.00 0.00 H new ATOM 0 HB VAL A 75 -5.914 -0.189 2.360 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -6.014 1.272 0.391 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -6.194 -0.449 -0.026 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.621 0.615 -0.002 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -6.785 2.129 2.530 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -8.437 1.509 2.295 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -7.511 1.048 3.743 1.00 0.00 H new ATOM 873 N ARG A 76 -7.503 -2.783 0.334 1.00 0.00 N ATOM 874 CA ARG A 76 -7.827 -3.465 -0.914 1.00 0.00 C ATOM 875 C ARG A 76 -9.140 -4.214 -0.758 1.00 0.00 C ATOM 876 O ARG A 76 -10.087 -3.990 -1.508 1.00 0.00 O ATOM 877 CB ARG A 76 -6.727 -4.461 -1.292 1.00 0.00 C ATOM 878 CG ARG A 76 -5.412 -3.820 -1.698 1.00 0.00 C ATOM 879 CD ARG A 76 -4.337 -4.871 -1.925 1.00 0.00 C ATOM 880 NE ARG A 76 -4.767 -5.896 -2.873 1.00 0.00 N ATOM 881 CZ ARG A 76 -3.981 -6.877 -3.312 1.00 0.00 C ATOM 882 NH1 ARG A 76 -2.726 -6.969 -2.892 1.00 0.00 N ATOM 883 NH2 ARG A 76 -4.452 -7.768 -4.174 1.00 0.00 N ATOM 0 H ARG A 76 -6.681 -3.151 0.814 1.00 0.00 H new ATOM 0 HA ARG A 76 -7.912 -2.717 -1.702 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -6.548 -5.124 -0.446 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -7.083 -5.082 -2.114 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -5.554 -3.238 -2.609 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -5.088 -3.126 -0.923 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.432 -4.390 -2.296 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -4.082 -5.340 -0.975 1.00 0.00 H new ATOM 0 HE ARG A 76 -5.726 -5.858 -3.219 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -2.359 -6.286 -2.229 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -2.128 -7.723 -3.232 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -5.416 -7.702 -4.500 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -3.850 -8.520 -4.511 1.00 0.00 H new ATOM 897 N ASP A 77 -9.188 -5.103 0.237 1.00 0.00 N ATOM 898 CA ASP A 77 -10.391 -5.885 0.509 1.00 0.00 C ATOM 899 C ASP A 77 -11.615 -4.980 0.512 1.00 0.00 C ATOM 900 O ASP A 77 -12.696 -5.371 0.073 1.00 0.00 O ATOM 901 CB ASP A 77 -10.266 -6.607 1.853 1.00 0.00 C ATOM 902 CG ASP A 77 -10.891 -7.988 1.828 1.00 0.00 C ATOM 903 OD1 ASP A 77 -12.122 -8.086 2.010 1.00 0.00 O ATOM 904 OD2 ASP A 77 -10.148 -8.972 1.627 1.00 0.00 O ATOM 0 H ASP A 77 -8.408 -5.297 0.865 1.00 0.00 H new ATOM 0 HA ASP A 77 -10.506 -6.631 -0.277 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -9.213 -6.693 2.120 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -10.744 -6.009 2.629 1.00 0.00 H new ATOM 909 N LYS A 78 -11.423 -3.757 0.994 1.00 0.00 N ATOM 910 CA LYS A 78 -12.496 -2.777 1.037 1.00 0.00 C ATOM 911 C LYS A 78 -12.871 -2.366 -0.381 1.00 0.00 C ATOM 912 O LYS A 78 -14.049 -2.282 -0.730 1.00 0.00 O ATOM 913 CB LYS A 78 -12.060 -1.556 1.851 1.00 0.00 C ATOM 914 CG LYS A 78 -12.381 -1.667 3.333 1.00 0.00 C ATOM 915 CD LYS A 78 -13.064 -0.412 3.855 1.00 0.00 C ATOM 916 CE LYS A 78 -12.089 0.484 4.604 1.00 0.00 C ATOM 917 NZ LYS A 78 -11.709 1.682 3.804 1.00 0.00 N ATOM 0 H LYS A 78 -10.532 -3.423 1.360 1.00 0.00 H new ATOM 0 HA LYS A 78 -13.368 -3.219 1.519 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -10.986 -1.414 1.730 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -12.547 -0.668 1.448 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -13.026 -2.530 3.502 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -11.462 -1.841 3.893 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -13.500 0.139 3.022 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -13.884 -0.691 4.516 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -12.538 0.803 5.545 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -11.193 -0.084 4.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -10.945 2.195 4.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -11.383 1.382 2.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -12.534 2.307 3.701 1.00 0.00 H new ATOM 931 N ILE A 79 -11.851 -2.133 -1.199 1.00 0.00 N ATOM 932 CA ILE A 79 -12.049 -1.754 -2.589 1.00 0.00 C ATOM 933 C ILE A 79 -12.609 -2.932 -3.377 1.00 0.00 C ATOM 934 O ILE A 79 -13.595 -2.797 -4.101 1.00 0.00 O ATOM 935 CB ILE A 79 -10.718 -1.287 -3.214 1.00 0.00 C ATOM 936 CG1 ILE A 79 -10.314 0.068 -2.631 1.00 0.00 C ATOM 937 CG2 ILE A 79 -10.814 -1.218 -4.733 1.00 0.00 C ATOM 938 CD1 ILE A 79 -8.843 0.379 -2.785 1.00 0.00 C ATOM 0 H ILE A 79 -10.873 -2.201 -0.919 1.00 0.00 H new ATOM 0 HA ILE A 79 -12.761 -0.930 -2.627 1.00 0.00 H new ATOM 0 HB ILE A 79 -9.948 -2.019 -2.969 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -10.895 0.851 -3.118 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -10.573 0.090 -1.572 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -9.860 -0.886 -5.143 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -11.055 -2.205 -5.128 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -11.596 -0.514 -5.017 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -8.630 1.355 -2.349 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -8.255 -0.383 -2.274 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -8.582 0.390 -3.843 1.00 0.00 H new ATOM 950 N GLU A 80 -11.980 -4.091 -3.217 1.00 0.00 N ATOM 951 CA GLU A 80 -12.424 -5.296 -3.899 1.00 0.00 C ATOM 952 C GLU A 80 -13.812 -5.689 -3.414 1.00 0.00 C ATOM 953 O GLU A 80 -14.607 -6.253 -4.166 1.00 0.00 O ATOM 954 CB GLU A 80 -11.439 -6.440 -3.660 1.00 0.00 C ATOM 955 CG GLU A 80 -10.020 -6.117 -4.095 1.00 0.00 C ATOM 956 CD GLU A 80 -9.076 -7.291 -3.925 1.00 0.00 C ATOM 957 OE1 GLU A 80 -8.831 -7.693 -2.768 1.00 0.00 O ATOM 958 OE2 GLU A 80 -8.583 -7.809 -4.949 1.00 0.00 O ATOM 0 H GLU A 80 -11.162 -4.219 -2.621 1.00 0.00 H new ATOM 0 HA GLU A 80 -12.467 -5.094 -4.969 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -11.437 -6.692 -2.600 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -11.783 -7.324 -4.197 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -10.026 -5.809 -5.141 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -9.650 -5.271 -3.515 1.00 0.00 H new ATOM 965 N SER A 81 -14.103 -5.372 -2.154 1.00 0.00 N ATOM 966 CA SER A 81 -15.405 -5.678 -1.577 1.00 0.00 C ATOM 967 C SER A 81 -16.494 -4.949 -2.351 1.00 0.00 C ATOM 968 O SER A 81 -17.595 -5.464 -2.539 1.00 0.00 O ATOM 969 CB SER A 81 -15.446 -5.274 -0.102 1.00 0.00 C ATOM 970 OG SER A 81 -15.083 -6.358 0.735 1.00 0.00 O ATOM 0 H SER A 81 -13.456 -4.906 -1.518 1.00 0.00 H new ATOM 0 HA SER A 81 -15.576 -6.752 -1.644 1.00 0.00 H new ATOM 0 HB2 SER A 81 -14.769 -4.437 0.068 1.00 0.00 H new ATOM 0 HB3 SER A 81 -16.448 -4.931 0.156 1.00 0.00 H new ATOM 0 HG SER A 81 -14.106 -6.415 0.792 1.00 0.00 H new ATOM 976 N ASN A 82 -16.162 -3.747 -2.810 1.00 0.00 N ATOM 977 CA ASN A 82 -17.089 -2.935 -3.582 1.00 0.00 C ATOM 978 C ASN A 82 -17.164 -3.444 -5.020 1.00 0.00 C ATOM 979 O ASN A 82 -16.364 -3.055 -5.870 1.00 0.00 O ATOM 980 CB ASN A 82 -16.639 -1.475 -3.558 1.00 0.00 C ATOM 981 CG ASN A 82 -17.687 -0.529 -4.103 1.00 0.00 C ATOM 982 OD1 ASN A 82 -18.857 -0.590 -3.724 1.00 0.00 O ATOM 983 ND2 ASN A 82 -17.267 0.351 -5.000 1.00 0.00 N ATOM 0 H ASN A 82 -15.251 -3.314 -2.658 1.00 0.00 H new ATOM 0 HA ASN A 82 -18.082 -3.007 -3.138 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -16.397 -1.191 -2.534 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -15.724 -1.372 -4.142 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -17.924 1.017 -5.408 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -16.287 0.363 -5.283 1.00 0.00 H new ATOM 990 N ILE A 83 -18.122 -4.334 -5.273 1.00 0.00 N ATOM 991 CA ILE A 83 -18.307 -4.930 -6.596 1.00 0.00 C ATOM 992 C ILE A 83 -18.148 -3.909 -7.725 1.00 0.00 C ATOM 993 O ILE A 83 -17.696 -4.248 -8.818 1.00 0.00 O ATOM 994 CB ILE A 83 -19.689 -5.618 -6.704 1.00 0.00 C ATOM 995 CG1 ILE A 83 -19.671 -6.694 -7.794 1.00 0.00 C ATOM 996 CG2 ILE A 83 -20.790 -4.598 -6.971 1.00 0.00 C ATOM 997 CD1 ILE A 83 -19.542 -6.143 -9.197 1.00 0.00 C ATOM 0 H ILE A 83 -18.788 -4.661 -4.573 1.00 0.00 H new ATOM 0 HA ILE A 83 -17.521 -5.677 -6.711 1.00 0.00 H new ATOM 0 HB ILE A 83 -19.902 -6.099 -5.749 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -18.842 -7.376 -7.604 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -20.587 -7.280 -7.727 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -21.750 -5.109 -7.042 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -20.823 -3.876 -6.155 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -20.585 -4.078 -7.907 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -19.537 -6.966 -9.912 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -20.384 -5.484 -9.408 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -18.612 -5.581 -9.283 1.00 0.00 H new ATOM 1009 N LEU A 84 -18.514 -2.661 -7.456 1.00 0.00 N ATOM 1010 CA LEU A 84 -18.403 -1.606 -8.457 1.00 0.00 C ATOM 1011 C LEU A 84 -16.995 -1.545 -9.047 1.00 0.00 C ATOM 1012 O LEU A 84 -16.796 -1.022 -10.144 1.00 0.00 O ATOM 1013 CB LEU A 84 -18.771 -0.255 -7.845 1.00 0.00 C ATOM 1014 CG LEU A 84 -20.262 0.079 -7.864 1.00 0.00 C ATOM 1015 CD1 LEU A 84 -20.625 0.970 -6.686 1.00 0.00 C ATOM 1016 CD2 LEU A 84 -20.642 0.748 -9.177 1.00 0.00 C ATOM 0 H LEU A 84 -18.888 -2.356 -6.558 1.00 0.00 H new ATOM 0 HA LEU A 84 -19.099 -1.837 -9.263 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -18.423 -0.234 -6.812 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -18.232 0.528 -8.379 1.00 0.00 H new ATOM 0 HG LEU A 84 -20.824 -0.851 -7.777 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -21.691 1.197 -6.716 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -20.390 0.455 -5.754 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -20.055 1.897 -6.742 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -21.707 0.979 -9.173 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -20.072 1.669 -9.294 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -20.420 0.076 -10.006 1.00 0.00 H new ATOM 1028 N ILE A 85 -16.021 -2.085 -8.319 1.00 0.00 N ATOM 1029 CA ILE A 85 -14.638 -2.089 -8.782 1.00 0.00 C ATOM 1030 C ILE A 85 -14.476 -2.992 -10.002 1.00 0.00 C ATOM 1031 O ILE A 85 -13.637 -2.739 -10.867 1.00 0.00 O ATOM 1032 CB ILE A 85 -13.673 -2.546 -7.666 1.00 0.00 C ATOM 1033 CG1 ILE A 85 -12.221 -2.502 -8.149 1.00 0.00 C ATOM 1034 CG2 ILE A 85 -14.031 -3.943 -7.186 1.00 0.00 C ATOM 1035 CD1 ILE A 85 -11.497 -1.232 -7.766 1.00 0.00 C ATOM 0 H ILE A 85 -16.164 -2.524 -7.409 1.00 0.00 H new ATOM 0 HA ILE A 85 -14.387 -1.066 -9.061 1.00 0.00 H new ATOM 0 HB ILE A 85 -13.775 -1.856 -6.828 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -11.683 -3.356 -7.737 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -12.204 -2.608 -9.234 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -13.339 -4.246 -6.400 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -15.048 -3.944 -6.794 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -13.963 -4.643 -8.019 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -10.474 -1.269 -8.140 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -12.011 -0.375 -8.200 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -11.483 -1.135 -6.680 1.00 0.00 H new ATOM 1047 N HIS A 86 -15.286 -4.043 -10.069 1.00 0.00 N ATOM 1048 CA HIS A 86 -15.233 -4.980 -11.186 1.00 0.00 C ATOM 1049 C HIS A 86 -16.072 -4.485 -12.362 1.00 0.00 C ATOM 1050 O HIS A 86 -15.850 -4.884 -13.506 1.00 0.00 O ATOM 1051 CB HIS A 86 -15.720 -6.361 -10.745 1.00 0.00 C ATOM 1052 CG HIS A 86 -14.895 -6.966 -9.652 1.00 0.00 C ATOM 1053 ND1 HIS A 86 -13.941 -7.936 -9.878 1.00 0.00 N ATOM 1054 CD2 HIS A 86 -14.886 -6.736 -8.317 1.00 0.00 C ATOM 1055 CE1 HIS A 86 -13.381 -8.276 -8.730 1.00 0.00 C ATOM 1056 NE2 HIS A 86 -13.936 -7.562 -7.768 1.00 0.00 N ATOM 0 H HIS A 86 -15.987 -4.268 -9.363 1.00 0.00 H new ATOM 0 HA HIS A 86 -14.195 -5.053 -11.512 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -16.753 -6.282 -10.408 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -15.716 -7.030 -11.605 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -15.510 -6.034 -7.784 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -12.602 -9.013 -8.601 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -13.698 -7.615 -6.778 1.00 0.00 H new ATOM 1065 N GLN A 87 -17.038 -3.617 -12.076 1.00 0.00 N ATOM 1066 CA GLN A 87 -17.910 -3.073 -13.111 1.00 0.00 C ATOM 1067 C GLN A 87 -17.253 -1.883 -13.805 1.00 0.00 C ATOM 1068 O GLN A 87 -17.244 -1.791 -15.033 1.00 0.00 O ATOM 1069 CB GLN A 87 -19.260 -2.672 -12.498 1.00 0.00 C ATOM 1070 CG GLN A 87 -19.469 -1.171 -12.342 1.00 0.00 C ATOM 1071 CD GLN A 87 -20.849 -0.827 -11.816 1.00 0.00 C ATOM 1072 OE1 GLN A 87 -21.523 0.058 -12.342 1.00 0.00 O ATOM 1073 NE2 GLN A 87 -21.276 -1.528 -10.772 1.00 0.00 N ATOM 0 H GLN A 87 -17.236 -3.275 -11.136 1.00 0.00 H new ATOM 0 HA GLN A 87 -18.082 -3.842 -13.864 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -20.060 -3.073 -13.121 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -19.352 -3.141 -11.519 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -18.715 -0.771 -11.663 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -19.320 -0.685 -13.306 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -20.683 -2.253 -10.368 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -22.197 -1.341 -10.375 1.00 0.00 H new ATOM 1082 N ASN A 88 -16.710 -0.973 -13.006 1.00 0.00 N ATOM 1083 CA ASN A 88 -16.055 0.218 -13.536 1.00 0.00 C ATOM 1084 C ASN A 88 -14.644 -0.105 -14.017 1.00 0.00 C ATOM 1085 O ASN A 88 -13.728 -0.284 -13.214 1.00 0.00 O ATOM 1086 CB ASN A 88 -16.003 1.314 -12.470 1.00 0.00 C ATOM 1087 CG ASN A 88 -17.197 2.246 -12.538 1.00 0.00 C ATOM 1088 OD1 ASN A 88 -17.889 2.313 -13.554 1.00 0.00 O ATOM 1089 ND2 ASN A 88 -17.445 2.971 -11.454 1.00 0.00 N ATOM 0 H ASN A 88 -16.710 -1.036 -11.988 1.00 0.00 H new ATOM 0 HA ASN A 88 -16.637 0.574 -14.386 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -15.960 0.854 -11.483 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -15.087 1.892 -12.592 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -18.236 3.615 -11.441 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -16.845 2.884 -10.634 1.00 0.00 H new ATOM 1096 N GLY A 89 -14.478 -0.180 -15.335 1.00 0.00 N ATOM 1097 CA GLY A 89 -13.178 -0.482 -15.906 1.00 0.00 C ATOM 1098 C GLY A 89 -12.101 0.481 -15.446 1.00 0.00 C ATOM 1099 O GLY A 89 -10.998 0.064 -15.092 1.00 0.00 O ATOM 0 H GLY A 89 -15.222 -0.037 -16.018 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -12.893 -1.498 -15.633 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -13.247 -0.452 -16.993 1.00 0.00 H new ATOM 1103 N LYS A 90 -12.421 1.771 -15.449 1.00 0.00 N ATOM 1104 CA LYS A 90 -11.471 2.794 -15.027 1.00 0.00 C ATOM 1105 C LYS A 90 -10.993 2.532 -13.603 1.00 0.00 C ATOM 1106 O LYS A 90 -9.810 2.282 -13.371 1.00 0.00 O ATOM 1107 CB LYS A 90 -12.109 4.182 -15.116 1.00 0.00 C ATOM 1108 CG LYS A 90 -12.278 4.684 -16.541 1.00 0.00 C ATOM 1109 CD LYS A 90 -13.733 4.643 -16.979 1.00 0.00 C ATOM 1110 CE LYS A 90 -13.860 4.321 -18.460 1.00 0.00 C ATOM 1111 NZ LYS A 90 -13.513 2.903 -18.751 1.00 0.00 N ATOM 0 H LYS A 90 -13.330 2.132 -15.739 1.00 0.00 H new ATOM 0 HA LYS A 90 -10.611 2.755 -15.695 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -13.085 4.156 -14.631 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -11.495 4.891 -14.560 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -11.904 5.705 -16.615 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -11.677 4.075 -17.216 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -14.269 3.894 -16.395 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -14.203 5.604 -16.773 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -14.880 4.520 -18.789 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -13.206 4.980 -19.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -13.907 2.632 -19.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -12.479 2.796 -18.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -13.910 2.289 -18.011 1.00 0.00 H new ATOM 1125 N LEU A 91 -11.920 2.590 -12.652 1.00 0.00 N ATOM 1126 CA LEU A 91 -11.591 2.357 -11.252 1.00 0.00 C ATOM 1127 C LEU A 91 -10.959 0.986 -11.061 1.00 0.00 C ATOM 1128 O LEU A 91 -10.006 0.833 -10.300 1.00 0.00 O ATOM 1129 CB LEU A 91 -12.840 2.480 -10.386 1.00 0.00 C ATOM 1130 CG LEU A 91 -13.121 3.889 -9.875 1.00 0.00 C ATOM 1131 CD1 LEU A 91 -14.451 3.929 -9.144 1.00 0.00 C ATOM 1132 CD2 LEU A 91 -11.990 4.362 -8.971 1.00 0.00 C ATOM 0 H LEU A 91 -12.904 2.796 -12.826 1.00 0.00 H new ATOM 0 HA LEU A 91 -10.869 3.114 -10.945 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -13.700 2.138 -10.961 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -12.741 1.811 -9.531 1.00 0.00 H new ATOM 0 HG LEU A 91 -13.179 4.566 -10.728 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -14.638 4.941 -8.785 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -15.249 3.632 -9.824 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -14.422 3.243 -8.297 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -12.206 5.369 -8.615 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -11.899 3.688 -8.119 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -11.055 4.368 -9.531 1.00 0.00 H new ATOM 1144 N SER A 92 -11.489 -0.009 -11.763 1.00 0.00 N ATOM 1145 CA SER A 92 -10.959 -1.366 -11.671 1.00 0.00 C ATOM 1146 C SER A 92 -9.438 -1.340 -11.772 1.00 0.00 C ATOM 1147 O SER A 92 -8.740 -2.060 -11.058 1.00 0.00 O ATOM 1148 CB SER A 92 -11.542 -2.243 -12.781 1.00 0.00 C ATOM 1149 OG SER A 92 -11.175 -3.600 -12.604 1.00 0.00 O ATOM 0 H SER A 92 -12.280 0.096 -12.398 1.00 0.00 H new ATOM 0 HA SER A 92 -11.245 -1.787 -10.707 1.00 0.00 H new ATOM 0 HB2 SER A 92 -12.628 -2.154 -12.786 1.00 0.00 H new ATOM 0 HB3 SER A 92 -11.189 -1.891 -13.750 1.00 0.00 H new ATOM 0 HG SER A 92 -11.561 -4.140 -13.325 1.00 0.00 H new ATOM 1155 N ALA A 93 -8.939 -0.483 -12.655 1.00 0.00 N ATOM 1156 CA ALA A 93 -7.505 -0.334 -12.855 1.00 0.00 C ATOM 1157 C ALA A 93 -6.884 0.501 -11.741 1.00 0.00 C ATOM 1158 O ALA A 93 -5.729 0.293 -11.369 1.00 0.00 O ATOM 1159 CB ALA A 93 -7.227 0.299 -14.209 1.00 0.00 C ATOM 0 H ALA A 93 -9.510 0.121 -13.246 1.00 0.00 H new ATOM 0 HA ALA A 93 -7.051 -1.325 -12.829 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -6.151 0.405 -14.347 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -7.633 -0.335 -14.997 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -7.697 1.281 -14.255 1.00 0.00 H new ATOM 1165 N ASP A 94 -7.657 1.447 -11.210 1.00 0.00 N ATOM 1166 CA ASP A 94 -7.178 2.311 -10.133 1.00 0.00 C ATOM 1167 C ASP A 94 -6.515 1.488 -9.035 1.00 0.00 C ATOM 1168 O ASP A 94 -5.296 1.513 -8.876 1.00 0.00 O ATOM 1169 CB ASP A 94 -8.327 3.130 -9.539 1.00 0.00 C ATOM 1170 CG ASP A 94 -8.777 4.246 -10.460 1.00 0.00 C ATOM 1171 OD1 ASP A 94 -8.489 4.168 -11.673 1.00 0.00 O ATOM 1172 OD2 ASP A 94 -9.419 5.199 -9.969 1.00 0.00 O ATOM 0 H ASP A 94 -8.615 1.634 -11.507 1.00 0.00 H new ATOM 0 HA ASP A 94 -6.442 2.993 -10.558 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -9.170 2.471 -9.332 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -8.012 3.554 -8.585 1.00 0.00 H new ATOM 1177 N PHE A 95 -7.331 0.758 -8.287 1.00 0.00 N ATOM 1178 CA PHE A 95 -6.838 -0.079 -7.201 1.00 0.00 C ATOM 1179 C PHE A 95 -5.853 -1.126 -7.721 1.00 0.00 C ATOM 1180 O PHE A 95 -4.828 -1.389 -7.093 1.00 0.00 O ATOM 1181 CB PHE A 95 -8.021 -0.745 -6.489 1.00 0.00 C ATOM 1182 CG PHE A 95 -7.837 -2.211 -6.202 1.00 0.00 C ATOM 1183 CD1 PHE A 95 -8.154 -3.157 -7.162 1.00 0.00 C ATOM 1184 CD2 PHE A 95 -7.349 -2.641 -4.977 1.00 0.00 C ATOM 1185 CE1 PHE A 95 -7.989 -4.505 -6.909 1.00 0.00 C ATOM 1186 CE2 PHE A 95 -7.183 -3.987 -4.719 1.00 0.00 C ATOM 1187 CZ PHE A 95 -7.503 -4.920 -5.685 1.00 0.00 C ATOM 0 H PHE A 95 -8.343 0.729 -8.413 1.00 0.00 H new ATOM 0 HA PHE A 95 -6.303 0.547 -6.487 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -8.202 -0.224 -5.549 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -8.914 -0.618 -7.101 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -8.535 -2.837 -8.121 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -7.096 -1.916 -4.218 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -8.240 -5.233 -7.667 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -6.803 -4.310 -3.761 1.00 0.00 H new ATOM 0 HZ PHE A 95 -7.373 -5.973 -5.484 1.00 0.00 H new ATOM 1197 N LYS A 96 -6.170 -1.724 -8.868 1.00 0.00 N ATOM 1198 CA LYS A 96 -5.307 -2.742 -9.461 1.00 0.00 C ATOM 1199 C LYS A 96 -3.867 -2.251 -9.547 1.00 0.00 C ATOM 1200 O LYS A 96 -2.929 -2.991 -9.253 1.00 0.00 O ATOM 1201 CB LYS A 96 -5.807 -3.120 -10.854 1.00 0.00 C ATOM 1202 CG LYS A 96 -6.939 -4.132 -10.839 1.00 0.00 C ATOM 1203 CD LYS A 96 -7.616 -4.221 -12.195 1.00 0.00 C ATOM 1204 CE LYS A 96 -6.857 -5.141 -13.138 1.00 0.00 C ATOM 1205 NZ LYS A 96 -7.056 -6.576 -12.794 1.00 0.00 N ATOM 0 H LYS A 96 -7.015 -1.522 -9.403 1.00 0.00 H new ATOM 0 HA LYS A 96 -5.337 -3.623 -8.819 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -6.143 -2.219 -11.367 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -4.976 -3.525 -11.432 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -6.551 -5.111 -10.559 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -7.671 -3.851 -10.082 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -8.635 -4.587 -12.071 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -7.686 -3.226 -12.634 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -7.187 -4.964 -14.162 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -5.794 -4.903 -13.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -6.682 -7.172 -13.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -6.554 -6.794 -11.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -8.071 -6.766 -12.672 1.00 0.00 H new ATOM 1219 N ASN A 97 -3.704 -0.997 -9.948 1.00 0.00 N ATOM 1220 CA ASN A 97 -2.379 -0.397 -10.071 1.00 0.00 C ATOM 1221 C ASN A 97 -1.742 -0.214 -8.701 1.00 0.00 C ATOM 1222 O ASN A 97 -0.539 -0.411 -8.530 1.00 0.00 O ATOM 1223 CB ASN A 97 -2.472 0.956 -10.779 1.00 0.00 C ATOM 1224 CG ASN A 97 -2.410 0.828 -12.288 1.00 0.00 C ATOM 1225 OD1 ASN A 97 -3.315 1.268 -12.997 1.00 0.00 O ATOM 1226 ND2 ASN A 97 -1.339 0.223 -12.787 1.00 0.00 N ATOM 0 H ASN A 97 -4.473 -0.374 -10.194 1.00 0.00 H new ATOM 0 HA ASN A 97 -1.756 -1.069 -10.662 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -3.404 1.446 -10.497 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -1.659 1.597 -10.438 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -1.242 0.108 -13.796 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -0.613 -0.126 -12.162 1.00 0.00 H new ATOM 1233 N LEU A 98 -2.559 0.166 -7.726 1.00 0.00 N ATOM 1234 CA LEU A 98 -2.079 0.381 -6.369 1.00 0.00 C ATOM 1235 C LEU A 98 -1.662 -0.935 -5.729 1.00 0.00 C ATOM 1236 O LEU A 98 -0.520 -1.090 -5.299 1.00 0.00 O ATOM 1237 CB LEU A 98 -3.161 1.058 -5.529 1.00 0.00 C ATOM 1238 CG LEU A 98 -3.853 2.241 -6.205 1.00 0.00 C ATOM 1239 CD1 LEU A 98 -5.158 2.577 -5.502 1.00 0.00 C ATOM 1240 CD2 LEU A 98 -2.931 3.449 -6.238 1.00 0.00 C ATOM 0 H LEU A 98 -3.558 0.331 -7.851 1.00 0.00 H new ATOM 0 HA LEU A 98 -1.206 1.032 -6.412 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.915 0.316 -5.267 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -2.714 1.402 -4.596 1.00 0.00 H new ATOM 0 HG LEU A 98 -4.086 1.960 -7.232 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -5.633 3.422 -6.001 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -5.823 1.714 -5.538 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -4.955 2.836 -4.463 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.440 4.282 -6.723 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -2.663 3.730 -5.220 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -2.027 3.202 -6.795 1.00 0.00 H new ATOM 1252 N LYS A 99 -2.585 -1.889 -5.676 1.00 0.00 N ATOM 1253 CA LYS A 99 -2.285 -3.192 -5.097 1.00 0.00 C ATOM 1254 C LYS A 99 -1.128 -3.837 -5.843 1.00 0.00 C ATOM 1255 O LYS A 99 -0.296 -4.524 -5.253 1.00 0.00 O ATOM 1256 CB LYS A 99 -3.512 -4.107 -5.141 1.00 0.00 C ATOM 1257 CG LYS A 99 -4.237 -4.093 -6.479 1.00 0.00 C ATOM 1258 CD LYS A 99 -4.527 -5.503 -6.977 1.00 0.00 C ATOM 1259 CE LYS A 99 -3.816 -5.790 -8.290 1.00 0.00 C ATOM 1260 NZ LYS A 99 -3.246 -7.165 -8.324 1.00 0.00 N ATOM 0 H LYS A 99 -3.538 -1.786 -6.024 1.00 0.00 H new ATOM 0 HA LYS A 99 -2.005 -3.047 -4.054 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -3.202 -5.127 -4.916 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -4.207 -3.806 -4.358 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -5.172 -3.542 -6.380 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -3.632 -3.564 -7.215 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -4.211 -6.227 -6.226 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -5.602 -5.629 -7.109 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -4.516 -5.667 -9.116 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -3.018 -5.062 -8.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -2.770 -7.321 -9.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -2.559 -7.275 -7.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -4.011 -7.861 -8.209 1.00 0.00 H new ATOM 1274 N THR A 100 -1.076 -3.591 -7.147 1.00 0.00 N ATOM 1275 CA THR A 100 -0.016 -4.127 -7.985 1.00 0.00 C ATOM 1276 C THR A 100 1.309 -3.460 -7.642 1.00 0.00 C ATOM 1277 O THR A 100 2.291 -4.133 -7.327 1.00 0.00 O ATOM 1278 CB THR A 100 -0.357 -3.911 -9.463 1.00 0.00 C ATOM 1279 OG1 THR A 100 -1.333 -4.842 -9.892 1.00 0.00 O ATOM 1280 CG2 THR A 100 0.833 -4.037 -10.387 1.00 0.00 C ATOM 0 H THR A 100 -1.759 -3.021 -7.646 1.00 0.00 H new ATOM 0 HA THR A 100 0.076 -5.197 -7.801 1.00 0.00 H new ATOM 0 HB THR A 100 -0.728 -2.888 -9.521 1.00 0.00 H new ATOM 0 HG1 THR A 100 -2.173 -4.373 -10.079 1.00 0.00 H new ATOM 0 HG21 THR A 100 0.514 -3.871 -11.416 1.00 0.00 H new ATOM 0 HG22 THR A 100 1.584 -3.295 -10.116 1.00 0.00 H new ATOM 0 HG23 THR A 100 1.260 -5.036 -10.296 1.00 0.00 H new ATOM 1288 N LYS A 101 1.330 -2.132 -7.696 1.00 0.00 N ATOM 1289 CA LYS A 101 2.536 -1.385 -7.380 1.00 0.00 C ATOM 1290 C LYS A 101 2.934 -1.632 -5.930 1.00 0.00 C ATOM 1291 O LYS A 101 4.116 -1.687 -5.600 1.00 0.00 O ATOM 1292 CB LYS A 101 2.323 0.114 -7.635 1.00 0.00 C ATOM 1293 CG LYS A 101 1.623 0.847 -6.500 1.00 0.00 C ATOM 1294 CD LYS A 101 1.515 2.337 -6.782 1.00 0.00 C ATOM 1295 CE LYS A 101 2.592 3.122 -6.050 1.00 0.00 C ATOM 1296 NZ LYS A 101 2.123 4.482 -5.665 1.00 0.00 N ATOM 0 H LYS A 101 0.529 -1.556 -7.954 1.00 0.00 H new ATOM 0 HA LYS A 101 3.343 -1.727 -8.028 1.00 0.00 H new ATOM 0 HB2 LYS A 101 3.291 0.582 -7.812 1.00 0.00 H new ATOM 0 HB3 LYS A 101 1.738 0.236 -8.547 1.00 0.00 H new ATOM 0 HG2 LYS A 101 0.626 0.430 -6.356 1.00 0.00 H new ATOM 0 HG3 LYS A 101 2.172 0.690 -5.571 1.00 0.00 H new ATOM 0 HD2 LYS A 101 1.601 2.513 -7.854 1.00 0.00 H new ATOM 0 HD3 LYS A 101 0.532 2.696 -6.478 1.00 0.00 H new ATOM 0 HE2 LYS A 101 2.895 2.576 -5.157 1.00 0.00 H new ATOM 0 HE3 LYS A 101 3.473 3.208 -6.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 2.886 4.985 -5.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 1.858 5.012 -6.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 1.297 4.400 -5.038 1.00 0.00 H new ATOM 1310 N TYR A 102 1.927 -1.792 -5.076 1.00 0.00 N ATOM 1311 CA TYR A 102 2.151 -2.043 -3.658 1.00 0.00 C ATOM 1312 C TYR A 102 2.911 -3.353 -3.463 1.00 0.00 C ATOM 1313 O TYR A 102 3.781 -3.454 -2.598 1.00 0.00 O ATOM 1314 CB TYR A 102 0.805 -2.067 -2.919 1.00 0.00 C ATOM 1315 CG TYR A 102 0.786 -2.894 -1.649 1.00 0.00 C ATOM 1316 CD1 TYR A 102 1.605 -2.579 -0.570 1.00 0.00 C ATOM 1317 CD2 TYR A 102 -0.063 -3.986 -1.531 1.00 0.00 C ATOM 1318 CE1 TYR A 102 1.576 -3.333 0.591 1.00 0.00 C ATOM 1319 CE2 TYR A 102 -0.097 -4.743 -0.376 1.00 0.00 C ATOM 1320 CZ TYR A 102 0.724 -4.412 0.680 1.00 0.00 C ATOM 1321 OH TYR A 102 0.693 -5.165 1.829 1.00 0.00 O ATOM 0 H TYR A 102 0.944 -1.752 -5.344 1.00 0.00 H new ATOM 0 HA TYR A 102 2.760 -1.241 -3.242 1.00 0.00 H new ATOM 0 HB2 TYR A 102 0.525 -1.043 -2.672 1.00 0.00 H new ATOM 0 HB3 TYR A 102 0.043 -2.451 -3.596 1.00 0.00 H new ATOM 0 HD1 TYR A 102 2.274 -1.734 -0.639 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -0.708 -4.248 -2.357 1.00 0.00 H new ATOM 0 HE1 TYR A 102 2.217 -3.077 1.421 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -0.763 -5.590 -0.301 1.00 0.00 H new ATOM 0 HH TYR A 102 0.246 -6.019 1.649 1.00 0.00 H new ATOM 1331 N GLN A 103 2.583 -4.348 -4.280 1.00 0.00 N ATOM 1332 CA GLN A 103 3.245 -5.644 -4.202 1.00 0.00 C ATOM 1333 C GLN A 103 4.730 -5.503 -4.512 1.00 0.00 C ATOM 1334 O GLN A 103 5.569 -6.165 -3.902 1.00 0.00 O ATOM 1335 CB GLN A 103 2.603 -6.634 -5.179 1.00 0.00 C ATOM 1336 CG GLN A 103 1.168 -6.995 -4.834 1.00 0.00 C ATOM 1337 CD GLN A 103 0.917 -8.490 -4.872 1.00 0.00 C ATOM 1338 OE1 GLN A 103 0.864 -9.149 -3.833 1.00 0.00 O ATOM 1339 NE2 GLN A 103 0.761 -9.032 -6.074 1.00 0.00 N ATOM 0 H GLN A 103 1.865 -4.282 -5.001 1.00 0.00 H new ATOM 0 HA GLN A 103 3.130 -6.025 -3.187 1.00 0.00 H new ATOM 0 HB2 GLN A 103 2.629 -6.208 -6.182 1.00 0.00 H new ATOM 0 HB3 GLN A 103 3.201 -7.545 -5.203 1.00 0.00 H new ATOM 0 HG2 GLN A 103 0.931 -6.616 -3.840 1.00 0.00 H new ATOM 0 HG3 GLN A 103 0.495 -6.499 -5.533 1.00 0.00 H new ATOM 0 HE21 GLN A 103 0.813 -8.447 -6.908 1.00 0.00 H new ATOM 0 HE22 GLN A 103 0.589 -10.033 -6.163 1.00 0.00 H new ATOM 1348 N SER A 104 5.047 -4.632 -5.461 1.00 0.00 N ATOM 1349 CA SER A 104 6.431 -4.396 -5.847 1.00 0.00 C ATOM 1350 C SER A 104 7.199 -3.750 -4.703 1.00 0.00 C ATOM 1351 O SER A 104 8.383 -4.018 -4.502 1.00 0.00 O ATOM 1352 CB SER A 104 6.491 -3.494 -7.079 1.00 0.00 C ATOM 1353 OG SER A 104 7.531 -3.891 -7.954 1.00 0.00 O ATOM 0 H SER A 104 4.364 -4.077 -5.977 1.00 0.00 H new ATOM 0 HA SER A 104 6.889 -5.356 -6.084 1.00 0.00 H new ATOM 0 HB2 SER A 104 5.537 -3.528 -7.605 1.00 0.00 H new ATOM 0 HB3 SER A 104 6.647 -2.461 -6.769 1.00 0.00 H new ATOM 0 HG SER A 104 7.546 -3.298 -8.734 1.00 0.00 H new ATOM 1359 N LEU A 105 6.510 -2.894 -3.958 1.00 0.00 N ATOM 1360 CA LEU A 105 7.112 -2.202 -2.832 1.00 0.00 C ATOM 1361 C LEU A 105 7.522 -3.184 -1.750 1.00 0.00 C ATOM 1362 O LEU A 105 8.658 -3.169 -1.281 1.00 0.00 O ATOM 1363 CB LEU A 105 6.127 -1.185 -2.258 1.00 0.00 C ATOM 1364 CG LEU A 105 5.540 -0.210 -3.275 1.00 0.00 C ATOM 1365 CD1 LEU A 105 4.380 0.564 -2.668 1.00 0.00 C ATOM 1366 CD2 LEU A 105 6.616 0.735 -3.780 1.00 0.00 C ATOM 0 H LEU A 105 5.529 -2.664 -4.117 1.00 0.00 H new ATOM 0 HA LEU A 105 8.004 -1.685 -3.186 1.00 0.00 H new ATOM 0 HB2 LEU A 105 5.309 -1.724 -1.780 1.00 0.00 H new ATOM 0 HB3 LEU A 105 6.631 -0.614 -1.478 1.00 0.00 H new ATOM 0 HG LEU A 105 5.158 -0.779 -4.122 1.00 0.00 H new ATOM 0 HD11 LEU A 105 3.975 1.254 -3.409 1.00 0.00 H new ATOM 0 HD12 LEU A 105 3.601 -0.132 -2.357 1.00 0.00 H new ATOM 0 HD13 LEU A 105 4.731 1.126 -1.803 1.00 0.00 H new ATOM 0 HD21 LEU A 105 6.183 1.425 -4.505 1.00 0.00 H new ATOM 0 HD22 LEU A 105 7.027 1.299 -2.943 1.00 0.00 H new ATOM 0 HD23 LEU A 105 7.411 0.160 -4.256 1.00 0.00 H new ATOM 1378 N GLN A 106 6.587 -4.039 -1.355 1.00 0.00 N ATOM 1379 CA GLN A 106 6.859 -5.031 -0.318 1.00 0.00 C ATOM 1380 C GLN A 106 8.060 -5.892 -0.702 1.00 0.00 C ATOM 1381 O GLN A 106 8.882 -6.245 0.144 1.00 0.00 O ATOM 1382 CB GLN A 106 5.640 -5.934 -0.057 1.00 0.00 C ATOM 1383 CG GLN A 106 4.437 -5.667 -0.951 1.00 0.00 C ATOM 1384 CD GLN A 106 3.372 -6.739 -0.827 1.00 0.00 C ATOM 1385 OE1 GLN A 106 3.278 -7.637 -1.663 1.00 0.00 O ATOM 1386 NE2 GLN A 106 2.563 -6.649 0.221 1.00 0.00 N ATOM 0 H GLN A 106 5.640 -4.067 -1.733 1.00 0.00 H new ATOM 0 HA GLN A 106 7.081 -4.485 0.599 1.00 0.00 H new ATOM 0 HB2 GLN A 106 5.943 -6.973 -0.183 1.00 0.00 H new ATOM 0 HB3 GLN A 106 5.335 -5.815 0.983 1.00 0.00 H new ATOM 0 HG2 GLN A 106 4.006 -4.699 -0.695 1.00 0.00 H new ATOM 0 HG3 GLN A 106 4.766 -5.605 -1.988 1.00 0.00 H new ATOM 0 HE21 GLN A 106 2.677 -5.887 0.890 1.00 0.00 H new ATOM 0 HE22 GLN A 106 1.827 -7.342 0.358 1.00 0.00 H new ATOM 1395 N GLN A 107 8.147 -6.230 -1.984 1.00 0.00 N ATOM 1396 CA GLN A 107 9.238 -7.057 -2.491 1.00 0.00 C ATOM 1397 C GLN A 107 10.559 -6.292 -2.515 1.00 0.00 C ATOM 1398 O GLN A 107 11.573 -6.778 -2.015 1.00 0.00 O ATOM 1399 CB GLN A 107 8.910 -7.564 -3.897 1.00 0.00 C ATOM 1400 CG GLN A 107 7.490 -8.085 -4.045 1.00 0.00 C ATOM 1401 CD GLN A 107 7.440 -9.576 -4.317 1.00 0.00 C ATOM 1402 OE1 GLN A 107 7.401 -10.007 -5.469 1.00 0.00 O ATOM 1403 NE2 GLN A 107 7.440 -10.372 -3.254 1.00 0.00 N ATOM 0 H GLN A 107 7.473 -5.943 -2.694 1.00 0.00 H new ATOM 0 HA GLN A 107 9.349 -7.905 -1.815 1.00 0.00 H new ATOM 0 HB2 GLN A 107 9.067 -6.755 -4.611 1.00 0.00 H new ATOM 0 HB3 GLN A 107 9.608 -8.359 -4.158 1.00 0.00 H new ATOM 0 HG2 GLN A 107 6.930 -7.867 -3.135 1.00 0.00 H new ATOM 0 HG3 GLN A 107 6.995 -7.554 -4.859 1.00 0.00 H new ATOM 0 HE21 GLN A 107 7.473 -9.971 -2.317 1.00 0.00 H new ATOM 0 HE22 GLN A 107 7.407 -11.384 -3.375 1.00 0.00 H new ATOM 1412 N SER A 108 10.547 -5.100 -3.106 1.00 0.00 N ATOM 1413 CA SER A 108 11.753 -4.283 -3.198 1.00 0.00 C ATOM 1414 C SER A 108 12.295 -3.947 -1.813 1.00 0.00 C ATOM 1415 O SER A 108 13.504 -3.823 -1.617 1.00 0.00 O ATOM 1416 CB SER A 108 11.463 -2.994 -3.969 1.00 0.00 C ATOM 1417 OG SER A 108 12.661 -2.393 -4.428 1.00 0.00 O ATOM 0 H SER A 108 9.718 -4.680 -3.527 1.00 0.00 H new ATOM 0 HA SER A 108 12.508 -4.859 -3.733 1.00 0.00 H new ATOM 0 HB2 SER A 108 10.814 -3.212 -4.817 1.00 0.00 H new ATOM 0 HB3 SER A 108 10.925 -2.296 -3.327 1.00 0.00 H new ATOM 0 HG SER A 108 12.448 -1.572 -4.919 1.00 0.00 H new ATOM 1423 N TYR A 109 11.387 -3.794 -0.859 1.00 0.00 N ATOM 1424 CA TYR A 109 11.755 -3.464 0.511 1.00 0.00 C ATOM 1425 C TYR A 109 12.122 -4.717 1.298 1.00 0.00 C ATOM 1426 O TYR A 109 13.135 -4.744 1.997 1.00 0.00 O ATOM 1427 CB TYR A 109 10.600 -2.700 1.166 1.00 0.00 C ATOM 1428 CG TYR A 109 10.140 -3.221 2.510 1.00 0.00 C ATOM 1429 CD1 TYR A 109 11.024 -3.378 3.567 1.00 0.00 C ATOM 1430 CD2 TYR A 109 8.807 -3.538 2.716 1.00 0.00 C ATOM 1431 CE1 TYR A 109 10.593 -3.841 4.794 1.00 0.00 C ATOM 1432 CE2 TYR A 109 8.365 -4.000 3.934 1.00 0.00 C ATOM 1433 CZ TYR A 109 9.261 -4.150 4.974 1.00 0.00 C ATOM 1434 OH TYR A 109 8.823 -4.611 6.194 1.00 0.00 O ATOM 0 H TYR A 109 10.383 -3.894 -1.010 1.00 0.00 H new ATOM 0 HA TYR A 109 12.640 -2.828 0.507 1.00 0.00 H new ATOM 0 HB2 TYR A 109 10.900 -1.659 1.285 1.00 0.00 H new ATOM 0 HB3 TYR A 109 9.750 -2.711 0.484 1.00 0.00 H new ATOM 0 HD1 TYR A 109 12.067 -3.134 3.428 1.00 0.00 H new ATOM 0 HD2 TYR A 109 8.102 -3.420 1.906 1.00 0.00 H new ATOM 0 HE1 TYR A 109 11.294 -3.960 5.607 1.00 0.00 H new ATOM 0 HE2 TYR A 109 7.323 -4.244 4.076 1.00 0.00 H new ATOM 0 HH TYR A 109 8.731 -5.586 6.161 1.00 0.00 H new ATOM 1444 N ASN A 110 11.300 -5.753 1.181 1.00 0.00 N ATOM 1445 CA ASN A 110 11.558 -7.003 1.888 1.00 0.00 C ATOM 1446 C ASN A 110 12.995 -7.452 1.653 1.00 0.00 C ATOM 1447 O ASN A 110 13.684 -7.889 2.575 1.00 0.00 O ATOM 1448 CB ASN A 110 10.582 -8.090 1.432 1.00 0.00 C ATOM 1449 CG ASN A 110 9.294 -8.082 2.230 1.00 0.00 C ATOM 1450 OD1 ASN A 110 9.295 -7.806 3.430 1.00 0.00 O ATOM 1451 ND2 ASN A 110 8.185 -8.386 1.566 1.00 0.00 N ATOM 0 H ASN A 110 10.456 -5.754 0.609 1.00 0.00 H new ATOM 0 HA ASN A 110 11.412 -6.834 2.955 1.00 0.00 H new ATOM 0 HB2 ASN A 110 10.353 -7.949 0.376 1.00 0.00 H new ATOM 0 HB3 ASN A 110 11.059 -9.066 1.527 1.00 0.00 H new ATOM 0 HD21 ASN A 110 7.287 -8.397 2.050 1.00 0.00 H new ATOM 0 HD22 ASN A 110 8.231 -8.608 0.572 1.00 0.00 H new ATOM 1458 N GLN A 111 13.450 -7.319 0.415 1.00 0.00 N ATOM 1459 CA GLN A 111 14.816 -7.689 0.079 1.00 0.00 C ATOM 1460 C GLN A 111 15.785 -6.764 0.795 1.00 0.00 C ATOM 1461 O GLN A 111 16.640 -7.209 1.558 1.00 0.00 O ATOM 1462 CB GLN A 111 15.057 -7.623 -1.432 1.00 0.00 C ATOM 1463 CG GLN A 111 14.560 -6.351 -2.098 1.00 0.00 C ATOM 1464 CD GLN A 111 14.357 -6.522 -3.590 1.00 0.00 C ATOM 1465 OE1 GLN A 111 13.276 -6.899 -4.044 1.00 0.00 O ATOM 1466 NE2 GLN A 111 15.402 -6.248 -4.363 1.00 0.00 N ATOM 0 H GLN A 111 12.899 -6.961 -0.366 1.00 0.00 H new ATOM 0 HA GLN A 111 14.979 -8.717 0.401 1.00 0.00 H new ATOM 0 HB2 GLN A 111 16.126 -7.722 -1.621 1.00 0.00 H new ATOM 0 HB3 GLN A 111 14.570 -8.477 -1.902 1.00 0.00 H new ATOM 0 HG2 GLN A 111 13.619 -6.047 -1.639 1.00 0.00 H new ATOM 0 HG3 GLN A 111 15.275 -5.548 -1.921 1.00 0.00 H new ATOM 0 HE21 GLN A 111 16.279 -5.938 -3.944 1.00 0.00 H new ATOM 0 HE22 GLN A 111 15.327 -6.347 -5.375 1.00 0.00 H new ATOM 1475 N ARG A 112 15.626 -5.468 0.550 1.00 0.00 N ATOM 1476 CA ARG A 112 16.465 -4.449 1.169 1.00 0.00 C ATOM 1477 C ARG A 112 16.582 -4.684 2.668 1.00 0.00 C ATOM 1478 O ARG A 112 17.663 -4.569 3.245 1.00 0.00 O ATOM 1479 CB ARG A 112 15.879 -3.061 0.910 1.00 0.00 C ATOM 1480 CG ARG A 112 16.567 -2.307 -0.214 1.00 0.00 C ATOM 1481 CD ARG A 112 16.609 -0.814 0.070 1.00 0.00 C ATOM 1482 NE ARG A 112 17.601 -0.126 -0.754 1.00 0.00 N ATOM 1483 CZ ARG A 112 17.383 0.264 -2.008 1.00 0.00 C ATOM 1484 NH1 ARG A 112 16.212 0.034 -2.589 1.00 0.00 N ATOM 1485 NH2 ARG A 112 18.340 0.886 -2.683 1.00 0.00 N ATOM 0 H ARG A 112 14.916 -5.096 -0.080 1.00 0.00 H new ATOM 0 HA ARG A 112 17.460 -4.511 0.728 1.00 0.00 H new ATOM 0 HB2 ARG A 112 14.820 -3.162 0.673 1.00 0.00 H new ATOM 0 HB3 ARG A 112 15.946 -2.472 1.825 1.00 0.00 H new ATOM 0 HG2 ARG A 112 17.582 -2.684 -0.341 1.00 0.00 H new ATOM 0 HG3 ARG A 112 16.041 -2.487 -1.151 1.00 0.00 H new ATOM 0 HD2 ARG A 112 15.625 -0.383 -0.112 1.00 0.00 H new ATOM 0 HD3 ARG A 112 16.838 -0.652 1.123 1.00 0.00 H new ATOM 0 HE ARG A 112 18.515 0.067 -0.344 1.00 0.00 H new ATOM 0 HH11 ARG A 112 15.473 -0.444 -2.074 1.00 0.00 H new ATOM 0 HH12 ARG A 112 16.052 0.336 -3.550 1.00 0.00 H new ATOM 0 HH21 ARG A 112 19.242 1.065 -2.241 1.00 0.00 H new ATOM 0 HH22 ARG A 112 18.174 1.185 -3.644 1.00 0.00 H new ATOM 1499 N LYS A 113 15.457 -5.013 3.292 1.00 0.00 N ATOM 1500 CA LYS A 113 15.432 -5.265 4.726 1.00 0.00 C ATOM 1501 C LYS A 113 16.317 -6.461 5.073 1.00 0.00 C ATOM 1502 O LYS A 113 16.849 -6.555 6.179 1.00 0.00 O ATOM 1503 CB LYS A 113 13.986 -5.471 5.213 1.00 0.00 C ATOM 1504 CG LYS A 113 13.470 -6.903 5.132 1.00 0.00 C ATOM 1505 CD LYS A 113 12.664 -7.271 6.367 1.00 0.00 C ATOM 1506 CE LYS A 113 11.216 -6.821 6.242 1.00 0.00 C ATOM 1507 NZ LYS A 113 10.279 -7.976 6.174 1.00 0.00 N ATOM 0 H LYS A 113 14.554 -5.111 2.829 1.00 0.00 H new ATOM 0 HA LYS A 113 15.834 -4.394 5.243 1.00 0.00 H new ATOM 0 HB2 LYS A 113 13.917 -5.135 6.248 1.00 0.00 H new ATOM 0 HB3 LYS A 113 13.327 -4.831 4.626 1.00 0.00 H new ATOM 0 HG2 LYS A 113 12.850 -7.019 4.243 1.00 0.00 H new ATOM 0 HG3 LYS A 113 14.310 -7.589 5.026 1.00 0.00 H new ATOM 0 HD2 LYS A 113 12.699 -8.350 6.518 1.00 0.00 H new ATOM 0 HD3 LYS A 113 13.114 -6.812 7.247 1.00 0.00 H new ATOM 0 HE2 LYS A 113 10.956 -6.193 7.094 1.00 0.00 H new ATOM 0 HE3 LYS A 113 11.102 -6.208 5.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 9.891 -8.052 5.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 10.788 -8.851 6.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 9.502 -7.833 6.850 1.00 0.00 H new ATOM 1521 N SER A 114 16.475 -7.368 4.111 1.00 0.00 N ATOM 1522 CA SER A 114 17.303 -8.553 4.302 1.00 0.00 C ATOM 1523 C SER A 114 18.771 -8.250 4.003 1.00 0.00 C ATOM 1524 O SER A 114 19.669 -8.896 4.542 1.00 0.00 O ATOM 1525 CB SER A 114 16.813 -9.692 3.404 1.00 0.00 C ATOM 1526 OG SER A 114 15.769 -10.420 4.026 1.00 0.00 O ATOM 0 H SER A 114 16.039 -7.303 3.191 1.00 0.00 H new ATOM 0 HA SER A 114 17.220 -8.858 5.345 1.00 0.00 H new ATOM 0 HB2 SER A 114 16.462 -9.286 2.455 1.00 0.00 H new ATOM 0 HB3 SER A 114 17.642 -10.362 3.177 1.00 0.00 H new ATOM 0 HG SER A 114 15.473 -11.140 3.431 1.00 0.00 H new