USER MOD reduce.3.24.130724 H: found=0, std=0, add=857, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 857 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 63 LYS NZ :NH3+ 174:sc=-0.00291 (180deg=-0.0729) USER MOD Set 1.2: A 66 THR OG1 : rot -134:sc= -0.884 USER MOD Set 2.1: A 29 ASN : amide:sc= -0.248 K(o=0.99,f=-0.52!) USER MOD Set 2.2: A 33 THR OG1 : rot 98:sc= 1.23 USER MOD Set 3.1: A 21 THR OG1 : rot 125:sc= 0.0944 USER MOD Set 3.2: A 23 HIS :FLIP no HD1:sc= 0.0645 F(o=-0.42,f=0.16) USER MOD Set 4.1: A 10 TYR OH : rot 180:sc= 1.02 USER MOD Set 4.2: A 76 SER OG : rot -131:sc= 1.31 USER MOD Set 5.1: A 1 MET CE :methyl -179:sc= -1.5 (180deg=-1.5) USER MOD Set 5.2: A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot -95:sc= 0.0791 USER MOD Single : A 4 SER OG : rot 180:sc= -0.0378 USER MOD Single : A 6 CYS SG : rot -32:sc= -1.18 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 HIS :FLIP no HE2:sc= 0.299 F(o=-1,f=0.3) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 167:sc= -0.0556 (180deg=-0.321) USER MOD Single : A 20 ASN :FLIP amide:sc= -0.277 F(o=-1.3,f=-0.28) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.208 X(o=-0.21,f=-0.35) USER MOD Single : A 28 THR OG1 : rot 79:sc= 1.07 USER MOD Single : A 30 THR OG1 : rot 13:sc= 1.24 USER MOD Single : A 32 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0654) USER MOD Single : A 34 TYR OH : rot 165:sc= 0 USER MOD Single : A 35 CYS SG : rot 180:sc= -0.109 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= 0.499 X(o=0.5,f=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.00216 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -154:sc= -0.905 (180deg=-2.01!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -1.16 K(o=-1.2,f=-6!) USER MOD Single : A 68 SER OG : rot -79:sc= 0.335 USER MOD Single : A 82 THR OG1 : rot 52:sc= 1.24 USER MOD Single : A 91 ASN : amide:sc= -1.08! C(o=-1.1!,f=-5.4!) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 HIS :FLIP no HD1:sc= -0.488 F(o=-1.1,f=-0.49) USER MOD Single : A 102 HIS : no HE2:sc= 1.18 K(o=1.2,f=-5.4!) USER MOD Single : A 103 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 104 HIS : no HE2:sc= 1.03 K(o=1,f=-5.3!) USER MOD Single : A 105 HIS : no HD1:sc= -0.107 X(o=-0.11,f=-0.01) USER MOD Single : A 106 HIS : no HD1:sc= -0.0806 X(o=-0.081,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.399 4.337 5.995 1.00 0.00 N ATOM 2 CA MET A 1 -13.694 4.154 4.708 1.00 0.00 C ATOM 3 C MET A 1 -12.837 2.901 4.750 1.00 0.00 C ATOM 4 O MET A 1 -12.052 2.713 5.682 1.00 0.00 O ATOM 5 CB MET A 1 -12.813 5.369 4.407 1.00 0.00 C ATOM 6 CG MET A 1 -12.169 5.326 3.032 1.00 0.00 C ATOM 7 SD MET A 1 -13.384 5.355 1.696 1.00 0.00 S ATOM 8 CE MET A 1 -14.303 6.842 2.088 1.00 0.00 C ATOM 0 H1 MET A 1 -14.981 5.198 5.952 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.009 3.515 6.177 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.703 4.428 6.762 1.00 0.00 H new ATOM 0 HA MET A 1 -14.439 4.050 3.920 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.415 6.274 4.489 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.031 5.437 5.163 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.495 6.176 2.924 1.00 0.00 H new ATOM 0 HG3 MET A 1 -11.562 4.425 2.947 1.00 0.00 H new ATOM 0 HE1 MET A 1 -15.100 6.980 1.358 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.736 6.750 3.084 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.633 7.701 2.061 1.00 0.00 H new ATOM 20 N THR A 2 -12.981 2.048 3.744 1.00 0.00 N ATOM 21 CA THR A 2 -12.185 0.833 3.669 1.00 0.00 C ATOM 22 C THR A 2 -10.922 1.086 2.863 1.00 0.00 C ATOM 23 O THR A 2 -10.806 2.115 2.191 1.00 0.00 O ATOM 24 CB THR A 2 -12.978 -0.334 3.048 1.00 0.00 C ATOM 25 OG1 THR A 2 -13.403 0.008 1.729 1.00 0.00 O ATOM 26 CG2 THR A 2 -14.193 -0.670 3.897 1.00 0.00 C ATOM 0 H THR A 2 -13.638 2.175 2.974 1.00 0.00 H new ATOM 0 HA THR A 2 -11.919 0.550 4.687 1.00 0.00 H new ATOM 0 HB THR A 2 -12.324 -1.205 3.006 1.00 0.00 H new ATOM 0 HG1 THR A 2 -14.314 0.367 1.762 1.00 0.00 H new ATOM 0 HG21 THR A 2 -14.738 -1.496 3.441 1.00 0.00 H new ATOM 0 HG22 THR A 2 -13.870 -0.957 4.897 1.00 0.00 H new ATOM 0 HG23 THR A 2 -14.844 0.202 3.962 1.00 0.00 H new ATOM 34 N PHE A 3 -9.982 0.156 2.926 1.00 0.00 N ATOM 35 CA PHE A 3 -8.709 0.321 2.247 1.00 0.00 C ATOM 36 C PHE A 3 -8.910 0.356 0.738 1.00 0.00 C ATOM 37 O PHE A 3 -8.307 1.176 0.046 1.00 0.00 O ATOM 38 CB PHE A 3 -7.740 -0.799 2.627 1.00 0.00 C ATOM 39 CG PHE A 3 -6.363 -0.624 2.050 1.00 0.00 C ATOM 40 CD1 PHE A 3 -5.488 0.305 2.589 1.00 0.00 C ATOM 41 CD2 PHE A 3 -5.944 -1.382 0.966 1.00 0.00 C ATOM 42 CE1 PHE A 3 -4.222 0.476 2.060 1.00 0.00 C ATOM 43 CE2 PHE A 3 -4.681 -1.213 0.433 1.00 0.00 C ATOM 44 CZ PHE A 3 -3.819 -0.285 0.980 1.00 0.00 C ATOM 0 H PHE A 3 -10.078 -0.720 3.440 1.00 0.00 H new ATOM 0 HA PHE A 3 -8.277 1.270 2.564 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -7.666 -0.851 3.713 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -8.148 -1.752 2.289 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -5.799 0.903 3.433 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -6.613 -2.112 0.534 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -3.549 1.203 2.490 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -4.368 -1.808 -0.412 1.00 0.00 H new ATOM 0 HZ PHE A 3 -2.831 -0.154 0.564 1.00 0.00 H new ATOM 54 N SER A 4 -9.777 -0.518 0.238 1.00 0.00 N ATOM 55 CA SER A 4 -10.058 -0.577 -1.193 1.00 0.00 C ATOM 56 C SER A 4 -10.668 0.735 -1.676 1.00 0.00 C ATOM 57 O SER A 4 -10.271 1.274 -2.709 1.00 0.00 O ATOM 58 CB SER A 4 -10.996 -1.743 -1.511 1.00 0.00 C ATOM 59 OG SER A 4 -10.415 -2.981 -1.143 1.00 0.00 O ATOM 0 H SER A 4 -10.296 -1.193 0.799 1.00 0.00 H new ATOM 0 HA SER A 4 -9.115 -0.736 -1.717 1.00 0.00 H new ATOM 0 HB2 SER A 4 -11.940 -1.609 -0.982 1.00 0.00 H new ATOM 0 HB3 SER A 4 -11.226 -1.748 -2.576 1.00 0.00 H new ATOM 0 HG SER A 4 -11.035 -3.709 -1.355 1.00 0.00 H new ATOM 65 N GLU A 5 -11.622 1.250 -0.911 1.00 0.00 N ATOM 66 CA GLU A 5 -12.289 2.497 -1.245 1.00 0.00 C ATOM 67 C GLU A 5 -11.317 3.669 -1.179 1.00 0.00 C ATOM 68 O GLU A 5 -11.277 4.507 -2.077 1.00 0.00 O ATOM 69 CB GLU A 5 -13.452 2.723 -0.285 1.00 0.00 C ATOM 70 CG GLU A 5 -14.574 1.716 -0.442 1.00 0.00 C ATOM 71 CD GLU A 5 -15.673 1.916 0.579 1.00 0.00 C ATOM 72 OE1 GLU A 5 -15.388 1.810 1.793 1.00 0.00 O ATOM 73 OE2 GLU A 5 -16.827 2.166 0.168 1.00 0.00 O ATOM 0 H GLU A 5 -11.952 0.817 -0.048 1.00 0.00 H new ATOM 0 HA GLU A 5 -12.667 2.430 -2.265 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -13.080 2.683 0.739 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -13.851 3.726 -0.440 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -14.994 1.797 -1.445 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -14.171 0.708 -0.345 1.00 0.00 H new ATOM 80 N CYS A 6 -10.529 3.706 -0.117 1.00 0.00 N ATOM 81 CA CYS A 6 -9.547 4.763 0.085 1.00 0.00 C ATOM 82 C CYS A 6 -8.529 4.768 -1.048 1.00 0.00 C ATOM 83 O CYS A 6 -8.192 5.819 -1.595 1.00 0.00 O ATOM 84 CB CYS A 6 -8.833 4.556 1.417 1.00 0.00 C ATOM 85 SG CYS A 6 -7.871 5.980 1.980 1.00 0.00 S ATOM 0 H CYS A 6 -10.550 3.009 0.627 1.00 0.00 H new ATOM 0 HA CYS A 6 -10.064 5.722 0.095 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -9.574 4.310 2.178 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -8.169 3.696 1.329 1.00 0.00 H new ATOM 0 HG CYS A 6 -7.408 6.625 0.951 1.00 0.00 H new ATOM 91 N ALA A 7 -8.040 3.581 -1.383 1.00 0.00 N ATOM 92 CA ALA A 7 -7.095 3.419 -2.484 1.00 0.00 C ATOM 93 C ALA A 7 -7.705 3.886 -3.800 1.00 0.00 C ATOM 94 O ALA A 7 -7.061 4.595 -4.572 1.00 0.00 O ATOM 95 CB ALA A 7 -6.647 1.970 -2.603 1.00 0.00 C ATOM 0 H ALA A 7 -8.282 2.712 -0.907 1.00 0.00 H new ATOM 0 HA ALA A 7 -6.224 4.038 -2.267 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -5.943 1.873 -3.430 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -6.163 1.662 -1.676 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -7.514 1.335 -2.788 1.00 0.00 H new ATOM 101 N ALA A 8 -8.950 3.486 -4.049 1.00 0.00 N ATOM 102 CA ALA A 8 -9.656 3.898 -5.257 1.00 0.00 C ATOM 103 C ALA A 8 -9.808 5.415 -5.307 1.00 0.00 C ATOM 104 O ALA A 8 -9.623 6.031 -6.358 1.00 0.00 O ATOM 105 CB ALA A 8 -11.019 3.224 -5.336 1.00 0.00 C ATOM 0 H ALA A 8 -9.488 2.879 -3.431 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.065 3.586 -6.118 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -11.531 3.544 -6.244 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -10.889 2.142 -5.354 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -11.614 3.503 -4.467 1.00 0.00 H new ATOM 111 N LEU A 9 -10.136 6.008 -4.167 1.00 0.00 N ATOM 112 CA LEU A 9 -10.270 7.455 -4.067 1.00 0.00 C ATOM 113 C LEU A 9 -8.931 8.143 -4.312 1.00 0.00 C ATOM 114 O LEU A 9 -8.877 9.175 -4.971 1.00 0.00 O ATOM 115 CB LEU A 9 -10.828 7.856 -2.699 1.00 0.00 C ATOM 116 CG LEU A 9 -12.280 7.453 -2.440 1.00 0.00 C ATOM 117 CD1 LEU A 9 -12.725 7.914 -1.062 1.00 0.00 C ATOM 118 CD2 LEU A 9 -13.194 8.029 -3.513 1.00 0.00 C ATOM 0 H LEU A 9 -10.315 5.508 -3.296 1.00 0.00 H new ATOM 0 HA LEU A 9 -10.971 7.780 -4.836 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -10.202 7.412 -1.925 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -10.745 8.938 -2.594 1.00 0.00 H new ATOM 0 HG LEU A 9 -12.345 6.366 -2.478 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -13.761 7.618 -0.896 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -12.091 7.456 -0.303 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -12.643 8.999 -0.997 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -14.223 7.732 -3.312 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -13.123 9.117 -3.506 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -12.891 7.652 -4.490 1.00 0.00 H new ATOM 130 N TYR A 10 -7.857 7.561 -3.788 1.00 0.00 N ATOM 131 CA TYR A 10 -6.509 8.072 -4.027 1.00 0.00 C ATOM 132 C TYR A 10 -6.215 8.117 -5.522 1.00 0.00 C ATOM 133 O TYR A 10 -5.759 9.134 -6.050 1.00 0.00 O ATOM 134 CB TYR A 10 -5.476 7.182 -3.328 1.00 0.00 C ATOM 135 CG TYR A 10 -4.039 7.494 -3.702 1.00 0.00 C ATOM 136 CD1 TYR A 10 -3.341 8.515 -3.072 1.00 0.00 C ATOM 137 CD2 TYR A 10 -3.384 6.763 -4.689 1.00 0.00 C ATOM 138 CE1 TYR A 10 -2.033 8.802 -3.413 1.00 0.00 C ATOM 139 CE2 TYR A 10 -2.076 7.043 -5.035 1.00 0.00 C ATOM 140 CZ TYR A 10 -1.405 8.062 -4.394 1.00 0.00 C ATOM 141 OH TYR A 10 -0.104 8.347 -4.736 1.00 0.00 O ATOM 0 H TYR A 10 -7.893 6.733 -3.193 1.00 0.00 H new ATOM 0 HA TYR A 10 -6.447 9.082 -3.622 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -5.591 7.288 -2.249 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -5.686 6.140 -3.570 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -3.828 9.095 -2.302 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -3.907 5.964 -5.193 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -1.505 9.601 -2.914 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -1.582 6.467 -5.803 1.00 0.00 H new ATOM 0 HH TYR A 10 0.191 7.734 -5.442 1.00 0.00 H new ATOM 151 N ILE A 11 -6.486 7.004 -6.186 1.00 0.00 N ATOM 152 CA ILE A 11 -6.283 6.884 -7.624 1.00 0.00 C ATOM 153 C ILE A 11 -7.120 7.919 -8.381 1.00 0.00 C ATOM 154 O ILE A 11 -6.606 8.639 -9.235 1.00 0.00 O ATOM 155 CB ILE A 11 -6.638 5.457 -8.110 1.00 0.00 C ATOM 156 CG1 ILE A 11 -5.671 4.447 -7.487 1.00 0.00 C ATOM 157 CG2 ILE A 11 -6.603 5.374 -9.632 1.00 0.00 C ATOM 158 CD1 ILE A 11 -5.977 3.004 -7.826 1.00 0.00 C ATOM 0 H ILE A 11 -6.852 6.160 -5.746 1.00 0.00 H new ATOM 0 HA ILE A 11 -5.229 7.072 -7.830 1.00 0.00 H new ATOM 0 HB ILE A 11 -7.653 5.219 -7.791 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.658 4.679 -7.817 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.688 4.565 -6.404 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -6.856 4.362 -9.947 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -7.324 6.075 -10.051 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.604 5.626 -9.987 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -5.245 2.354 -7.346 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.976 2.751 -7.471 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -5.930 2.866 -8.906 1.00 0.00 H new ATOM 170 N LYS A 12 -8.401 8.015 -8.036 1.00 0.00 N ATOM 171 CA LYS A 12 -9.310 8.936 -8.709 1.00 0.00 C ATOM 172 C LYS A 12 -8.973 10.391 -8.394 1.00 0.00 C ATOM 173 O LYS A 12 -9.143 11.267 -9.238 1.00 0.00 O ATOM 174 CB LYS A 12 -10.761 8.629 -8.344 1.00 0.00 C ATOM 175 CG LYS A 12 -11.233 7.282 -8.867 1.00 0.00 C ATOM 176 CD LYS A 12 -12.720 7.073 -8.632 1.00 0.00 C ATOM 177 CE LYS A 12 -13.173 5.732 -9.186 1.00 0.00 C ATOM 178 NZ LYS A 12 -14.634 5.520 -9.023 1.00 0.00 N ATOM 0 H LYS A 12 -8.833 7.465 -7.293 1.00 0.00 H new ATOM 0 HA LYS A 12 -9.185 8.793 -9.782 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -10.869 8.650 -7.260 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -11.404 9.413 -8.743 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -11.021 7.212 -9.934 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -10.672 6.486 -8.377 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -12.934 7.121 -7.564 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -13.284 7.876 -9.106 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -12.915 5.672 -10.243 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -12.633 4.931 -8.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -14.896 4.593 -9.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -14.879 5.550 -8.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -15.152 6.268 -9.527 1.00 0.00 H new ATOM 192 N ALA A 13 -8.490 10.649 -7.188 1.00 0.00 N ATOM 193 CA ALA A 13 -8.093 11.998 -6.796 1.00 0.00 C ATOM 194 C ALA A 13 -6.938 12.505 -7.656 1.00 0.00 C ATOM 195 O ALA A 13 -6.683 13.707 -7.722 1.00 0.00 O ATOM 196 CB ALA A 13 -7.712 12.034 -5.324 1.00 0.00 C ATOM 0 H ALA A 13 -8.363 9.944 -6.462 1.00 0.00 H new ATOM 0 HA ALA A 13 -8.946 12.658 -6.954 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -7.419 13.047 -5.049 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -8.565 11.726 -4.720 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -6.878 11.354 -5.147 1.00 0.00 H new ATOM 202 N HIS A 14 -6.247 11.591 -8.322 1.00 0.00 N ATOM 203 CA HIS A 14 -5.108 11.963 -9.147 1.00 0.00 C ATOM 204 C HIS A 14 -5.361 11.691 -10.625 1.00 0.00 C ATOM 205 O HIS A 14 -4.607 12.168 -11.467 1.00 0.00 O ATOM 206 CB HIS A 14 -3.849 11.207 -8.707 1.00 0.00 C ATOM 207 CG HIS A 14 -3.292 11.649 -7.387 1.00 0.00 C ATOM 208 ND1 HIS A 14 -3.686 11.373 -6.121 1.00 0.00 N flip ATOM 209 CD2 HIS A 14 -2.191 12.468 -7.268 1.00 0.00 C flip ATOM 210 CE1 HIS A 14 -2.825 12.022 -5.271 1.00 0.00 C flip ATOM 211 NE2 HIS A 14 -1.933 12.675 -5.993 1.00 0.00 N flip ATOM 0 H HIS A 14 -6.454 10.592 -8.307 1.00 0.00 H new ATOM 0 HA HIS A 14 -4.960 13.035 -9.013 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -4.079 10.143 -8.653 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -3.081 11.329 -9.471 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -4.477 10.790 -5.849 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -1.626 12.877 -8.093 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -2.870 12.002 -4.192 1.00 0.00 H new ATOM 220 N ARG A 15 -6.438 10.961 -10.940 1.00 0.00 N ATOM 221 CA ARG A 15 -6.668 10.437 -12.298 1.00 0.00 C ATOM 222 C ARG A 15 -6.624 11.526 -13.379 1.00 0.00 C ATOM 223 O ARG A 15 -6.337 11.241 -14.541 1.00 0.00 O ATOM 224 CB ARG A 15 -8.001 9.695 -12.386 1.00 0.00 C ATOM 225 CG ARG A 15 -9.209 10.551 -12.070 1.00 0.00 C ATOM 226 CD ARG A 15 -10.502 9.858 -12.457 1.00 0.00 C ATOM 227 NE ARG A 15 -10.788 10.005 -13.881 1.00 0.00 N ATOM 228 CZ ARG A 15 -11.994 9.840 -14.416 1.00 0.00 C ATOM 229 NH1 ARG A 15 -13.004 9.419 -13.663 1.00 0.00 N ATOM 230 NH2 ARG A 15 -12.184 10.088 -15.707 1.00 0.00 N ATOM 0 H ARG A 15 -7.169 10.717 -10.271 1.00 0.00 H new ATOM 0 HA ARG A 15 -5.847 9.745 -12.489 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -8.111 9.287 -13.391 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -7.979 8.849 -11.699 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -9.224 10.781 -11.005 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -9.132 11.500 -12.600 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -10.437 8.799 -12.206 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -11.325 10.273 -11.876 1.00 0.00 H new ATOM 0 HE ARG A 15 -10.017 10.249 -14.502 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -12.855 9.222 -12.673 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -13.929 9.293 -14.074 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -11.406 10.404 -16.286 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -13.108 9.962 -16.120 1.00 0.00 H new ATOM 244 N SER A 16 -6.910 12.762 -12.997 1.00 0.00 N ATOM 245 CA SER A 16 -6.899 13.878 -13.940 1.00 0.00 C ATOM 246 C SER A 16 -5.486 14.115 -14.482 1.00 0.00 C ATOM 247 O SER A 16 -5.300 14.414 -15.663 1.00 0.00 O ATOM 248 CB SER A 16 -7.445 15.136 -13.251 1.00 0.00 C ATOM 249 OG SER A 16 -7.652 16.200 -14.164 1.00 0.00 O ATOM 0 H SER A 16 -7.153 13.021 -12.041 1.00 0.00 H new ATOM 0 HA SER A 16 -7.540 13.637 -14.788 1.00 0.00 H new ATOM 0 HB2 SER A 16 -8.386 14.897 -12.755 1.00 0.00 H new ATOM 0 HB3 SER A 16 -6.748 15.455 -12.476 1.00 0.00 H new ATOM 0 HG SER A 16 -8.001 16.980 -13.684 1.00 0.00 H new ATOM 255 N SER A 17 -4.494 13.965 -13.616 1.00 0.00 N ATOM 256 CA SER A 17 -3.103 14.030 -14.020 1.00 0.00 C ATOM 257 C SER A 17 -2.614 12.623 -14.335 1.00 0.00 C ATOM 258 O SER A 17 -1.583 12.416 -14.978 1.00 0.00 O ATOM 259 CB SER A 17 -2.283 14.618 -12.876 1.00 0.00 C ATOM 260 OG SER A 17 -2.935 15.748 -12.314 1.00 0.00 O ATOM 0 H SER A 17 -4.633 13.796 -12.620 1.00 0.00 H new ATOM 0 HA SER A 17 -2.995 14.658 -14.904 1.00 0.00 H new ATOM 0 HB2 SER A 17 -2.130 13.861 -12.106 1.00 0.00 H new ATOM 0 HB3 SER A 17 -1.297 14.906 -13.240 1.00 0.00 H new ATOM 0 HG SER A 17 -2.393 16.108 -11.581 1.00 0.00 H new ATOM 266 N TRP A 18 -3.406 11.669 -13.886 1.00 0.00 N ATOM 267 CA TRP A 18 -3.057 10.264 -13.914 1.00 0.00 C ATOM 268 C TRP A 18 -3.680 9.528 -15.091 1.00 0.00 C ATOM 269 O TRP A 18 -4.163 8.407 -14.918 1.00 0.00 O ATOM 270 CB TRP A 18 -3.553 9.619 -12.636 1.00 0.00 C ATOM 271 CG TRP A 18 -2.494 9.217 -11.672 1.00 0.00 C ATOM 272 CD1 TRP A 18 -1.344 9.877 -11.355 1.00 0.00 C ATOM 273 CD2 TRP A 18 -2.530 8.051 -10.866 1.00 0.00 C ATOM 274 NE1 TRP A 18 -0.656 9.174 -10.392 1.00 0.00 N ATOM 275 CE2 TRP A 18 -1.370 8.046 -10.075 1.00 0.00 C ATOM 276 CE3 TRP A 18 -3.442 7.008 -10.746 1.00 0.00 C ATOM 277 CZ2 TRP A 18 -1.101 7.027 -9.166 1.00 0.00 C ATOM 278 CZ3 TRP A 18 -3.178 5.998 -9.847 1.00 0.00 C ATOM 279 CH2 TRP A 18 -2.017 6.014 -9.067 1.00 0.00 C ATOM 0 H TRP A 18 -4.326 11.853 -13.485 1.00 0.00 H new ATOM 0 HA TRP A 18 -1.974 10.197 -14.013 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -4.230 10.313 -12.138 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -4.137 8.736 -12.897 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -1.022 10.810 -11.793 1.00 0.00 H new ATOM 0 HE1 TRP A 18 0.237 9.447 -9.982 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -4.340 6.990 -11.346 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -0.205 7.035 -8.563 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -3.878 5.182 -9.743 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -1.839 5.208 -8.370 1.00 0.00 H new ATOM 290 N LYS A 19 -3.715 10.158 -16.265 1.00 0.00 N ATOM 291 CA LYS A 19 -3.953 9.423 -17.500 1.00 0.00 C ATOM 292 C LYS A 19 -3.040 8.220 -17.448 1.00 0.00 C ATOM 293 O LYS A 19 -1.832 8.335 -17.657 1.00 0.00 O ATOM 294 CB LYS A 19 -3.709 10.312 -18.721 1.00 0.00 C ATOM 295 CG LYS A 19 -4.732 11.434 -18.825 1.00 0.00 C ATOM 296 CD LYS A 19 -4.395 12.436 -19.913 1.00 0.00 C ATOM 297 CE LYS A 19 -5.479 13.499 -20.032 1.00 0.00 C ATOM 298 NZ LYS A 19 -5.749 14.177 -18.733 1.00 0.00 N ATOM 0 H LYS A 19 -3.583 11.162 -16.384 1.00 0.00 H new ATOM 0 HA LYS A 19 -4.990 9.099 -17.594 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -2.708 10.739 -18.664 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.745 9.704 -19.625 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -5.715 11.006 -19.023 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.796 11.951 -17.868 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -3.439 12.910 -19.692 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.282 11.919 -20.866 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.178 14.241 -20.771 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.397 13.039 -20.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -6.322 15.029 -18.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -6.265 13.529 -18.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -4.848 14.447 -18.288 1.00 0.00 H new ATOM 312 N ASN A 20 -3.615 7.051 -17.171 1.00 0.00 N ATOM 313 CA ASN A 20 -4.744 6.419 -17.898 1.00 0.00 C ATOM 314 C ASN A 20 -4.112 5.597 -19.013 1.00 0.00 C ATOM 315 O ASN A 20 -4.750 5.136 -19.960 1.00 0.00 O ATOM 316 CB ASN A 20 -5.774 7.415 -18.469 1.00 0.00 C ATOM 317 CG ASN A 20 -6.991 6.752 -19.101 1.00 0.00 C ATOM 318 OD1 ASN A 20 -7.403 5.607 -18.577 1.00 0.00 O flip ATOM 319 ND2 ASN A 20 -7.571 7.280 -20.053 1.00 0.00 N flip ATOM 0 H ASN A 20 -3.296 6.477 -16.391 1.00 0.00 H new ATOM 0 HA ASN A 20 -5.323 5.813 -17.200 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -6.107 8.076 -17.669 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -5.285 8.040 -19.216 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -7.228 8.162 -20.433 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -8.393 6.834 -20.460 1.00 0.00 H new ATOM 326 N THR A 21 -2.810 5.430 -18.838 1.00 0.00 N ATOM 327 CA THR A 21 -2.040 4.378 -19.463 1.00 0.00 C ATOM 328 C THR A 21 -1.938 3.221 -18.463 1.00 0.00 C ATOM 329 O THR A 21 -2.711 3.170 -17.499 1.00 0.00 O ATOM 330 CB THR A 21 -0.637 4.883 -19.833 1.00 0.00 C ATOM 331 OG1 THR A 21 -0.083 5.616 -18.728 1.00 0.00 O ATOM 332 CG2 THR A 21 -0.688 5.770 -21.067 1.00 0.00 C ATOM 0 H THR A 21 -2.251 6.040 -18.242 1.00 0.00 H new ATOM 0 HA THR A 21 -2.527 4.050 -20.381 1.00 0.00 H new ATOM 0 HB THR A 21 -0.006 4.023 -20.056 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.785 5.232 -18.483 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.317 6.115 -21.309 1.00 0.00 H new ATOM 0 HG22 THR A 21 -1.089 5.202 -21.907 1.00 0.00 H new ATOM 0 HG23 THR A 21 -1.329 6.629 -20.871 1.00 0.00 H new ATOM 340 N LYS A 22 -1.002 2.303 -18.664 1.00 0.00 N ATOM 341 CA LYS A 22 -0.860 1.168 -17.754 1.00 0.00 C ATOM 342 C LYS A 22 -0.363 1.592 -16.369 1.00 0.00 C ATOM 343 O LYS A 22 -0.355 0.789 -15.446 1.00 0.00 O ATOM 344 CB LYS A 22 0.073 0.112 -18.338 1.00 0.00 C ATOM 345 CG LYS A 22 1.509 0.569 -18.497 1.00 0.00 C ATOM 346 CD LYS A 22 2.372 -0.544 -19.063 1.00 0.00 C ATOM 347 CE LYS A 22 3.802 -0.087 -19.298 1.00 0.00 C ATOM 348 NZ LYS A 22 4.640 -1.173 -19.864 1.00 0.00 N ATOM 0 H LYS A 22 -0.337 2.318 -19.437 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.855 0.740 -17.634 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.053 -0.769 -17.696 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -0.309 -0.195 -19.312 1.00 0.00 H new ATOM 0 HG2 LYS A 22 1.548 1.436 -19.156 1.00 0.00 H new ATOM 0 HG3 LYS A 22 1.903 0.885 -17.531 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.369 -1.391 -18.376 1.00 0.00 H new ATOM 0 HD3 LYS A 22 1.944 -0.894 -20.002 1.00 0.00 H new ATOM 0 HE2 LYS A 22 3.804 0.766 -19.977 1.00 0.00 H new ATOM 0 HE3 LYS A 22 4.234 0.253 -18.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 5.609 -0.824 -20.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 4.658 -1.977 -19.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 4.242 -1.481 -20.774 1.00 0.00 H new ATOM 362 N HIS A 23 0.051 2.849 -16.225 1.00 0.00 N ATOM 363 CA HIS A 23 0.482 3.373 -14.917 1.00 0.00 C ATOM 364 C HIS A 23 -0.608 3.194 -13.861 1.00 0.00 C ATOM 365 O HIS A 23 -0.351 2.675 -12.774 1.00 0.00 O ATOM 366 CB HIS A 23 0.860 4.859 -15.000 1.00 0.00 C ATOM 367 CG HIS A 23 2.186 5.131 -15.640 1.00 0.00 C ATOM 368 ND1 HIS A 23 2.496 5.682 -16.837 1.00 0.00 N flip ATOM 369 CD2 HIS A 23 3.390 4.850 -15.029 1.00 0.00 C flip ATOM 370 CE1 HIS A 23 3.864 5.725 -16.923 1.00 0.00 C flip ATOM 371 NE2 HIS A 23 4.378 5.218 -15.821 1.00 0.00 N flip ATOM 0 H HIS A 23 0.100 3.525 -16.988 1.00 0.00 H new ATOM 0 HA HIS A 23 1.362 2.799 -14.626 1.00 0.00 H new ATOM 0 HB2 HIS A 23 0.087 5.386 -15.559 1.00 0.00 H new ATOM 0 HB3 HIS A 23 0.865 5.276 -13.993 1.00 0.00 H new ATOM 0 HD2 HIS A 23 3.506 4.399 -14.054 1.00 0.00 H new ATOM 0 HE1 HIS A 23 4.428 6.112 -17.759 1.00 0.00 H new ATOM 0 HE2 HIS A 23 5.373 5.126 -15.615 1.00 0.00 H new ATOM 380 N ALA A 24 -1.826 3.618 -14.189 1.00 0.00 N ATOM 381 CA ALA A 24 -2.958 3.485 -13.275 1.00 0.00 C ATOM 382 C ALA A 24 -3.255 2.012 -13.010 1.00 0.00 C ATOM 383 O ALA A 24 -3.625 1.626 -11.898 1.00 0.00 O ATOM 384 CB ALA A 24 -4.185 4.180 -13.850 1.00 0.00 C ATOM 0 H ALA A 24 -2.055 4.057 -15.081 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.701 3.962 -12.329 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.021 4.073 -13.159 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.968 5.238 -13.997 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.445 3.727 -14.807 1.00 0.00 H new ATOM 390 N ASP A 25 -3.067 1.198 -14.043 1.00 0.00 N ATOM 391 CA ASP A 25 -3.288 -0.242 -13.946 1.00 0.00 C ATOM 392 C ASP A 25 -2.263 -0.869 -13.013 1.00 0.00 C ATOM 393 O ASP A 25 -2.612 -1.638 -12.125 1.00 0.00 O ATOM 394 CB ASP A 25 -3.187 -0.883 -15.331 1.00 0.00 C ATOM 395 CG ASP A 25 -3.623 -2.336 -15.344 1.00 0.00 C ATOM 396 OD1 ASP A 25 -4.825 -2.585 -15.563 1.00 0.00 O ATOM 397 OD2 ASP A 25 -2.768 -3.228 -15.168 1.00 0.00 O ATOM 0 H ASP A 25 -2.760 1.513 -14.963 1.00 0.00 H new ATOM 0 HA ASP A 25 -4.286 -0.416 -13.544 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -3.801 -0.319 -16.032 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.158 -0.815 -15.683 1.00 0.00 H new ATOM 402 N GLN A 26 -1.005 -0.491 -13.201 1.00 0.00 N ATOM 403 CA GLN A 26 0.097 -1.000 -12.402 1.00 0.00 C ATOM 404 C GLN A 26 -0.111 -0.729 -10.916 1.00 0.00 C ATOM 405 O GLN A 26 0.305 -1.519 -10.066 1.00 0.00 O ATOM 406 CB GLN A 26 1.399 -0.355 -12.877 1.00 0.00 C ATOM 407 CG GLN A 26 1.920 -0.921 -14.185 1.00 0.00 C ATOM 408 CD GLN A 26 2.229 -2.400 -14.096 1.00 0.00 C ATOM 409 OE1 GLN A 26 1.387 -3.243 -14.398 1.00 0.00 O ATOM 410 NE2 GLN A 26 3.439 -2.725 -13.666 1.00 0.00 N ATOM 0 H GLN A 26 -0.722 0.180 -13.915 1.00 0.00 H new ATOM 0 HA GLN A 26 0.146 -2.081 -12.532 1.00 0.00 H new ATOM 0 HB2 GLN A 26 1.241 0.717 -12.993 1.00 0.00 H new ATOM 0 HB3 GLN A 26 2.160 -0.484 -12.107 1.00 0.00 H new ATOM 0 HG2 GLN A 26 1.181 -0.754 -14.969 1.00 0.00 H new ATOM 0 HG3 GLN A 26 2.821 -0.382 -14.477 1.00 0.00 H new ATOM 0 HE21 GLN A 26 4.108 -1.994 -13.426 1.00 0.00 H new ATOM 0 HE22 GLN A 26 3.701 -3.706 -13.575 1.00 0.00 H new ATOM 419 N TRP A 27 -0.741 0.391 -10.604 1.00 0.00 N ATOM 420 CA TRP A 27 -1.069 0.725 -9.226 1.00 0.00 C ATOM 421 C TRP A 27 -2.275 -0.077 -8.742 1.00 0.00 C ATOM 422 O TRP A 27 -2.225 -0.724 -7.692 1.00 0.00 O ATOM 423 CB TRP A 27 -1.343 2.223 -9.099 1.00 0.00 C ATOM 424 CG TRP A 27 -0.117 3.027 -8.789 1.00 0.00 C ATOM 425 CD1 TRP A 27 0.911 3.339 -9.636 1.00 0.00 C ATOM 426 CD2 TRP A 27 0.200 3.626 -7.528 1.00 0.00 C ATOM 427 NE1 TRP A 27 1.853 4.088 -8.970 1.00 0.00 N ATOM 428 CE2 TRP A 27 1.436 4.281 -7.675 1.00 0.00 C ATOM 429 CE3 TRP A 27 -0.444 3.670 -6.288 1.00 0.00 C ATOM 430 CZ2 TRP A 27 2.041 4.971 -6.626 1.00 0.00 C ATOM 431 CZ3 TRP A 27 0.156 4.356 -5.250 1.00 0.00 C ATOM 432 CH2 TRP A 27 1.385 4.999 -5.423 1.00 0.00 C ATOM 0 H TRP A 27 -1.037 1.087 -11.288 1.00 0.00 H new ATOM 0 HA TRP A 27 -0.216 0.466 -8.599 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -1.781 2.585 -10.029 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -2.083 2.385 -8.315 1.00 0.00 H new ATOM 0 HD1 TRP A 27 0.974 3.042 -10.672 1.00 0.00 H new ATOM 0 HE1 TRP A 27 2.721 4.443 -9.372 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -1.394 3.176 -6.144 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 2.992 5.466 -6.756 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -0.333 4.396 -4.288 1.00 0.00 H new ATOM 0 HH2 TRP A 27 1.827 5.529 -4.592 1.00 0.00 H new ATOM 443 N THR A 28 -3.344 -0.053 -9.528 1.00 0.00 N ATOM 444 CA THR A 28 -4.592 -0.709 -9.155 1.00 0.00 C ATOM 445 C THR A 28 -4.405 -2.220 -9.026 1.00 0.00 C ATOM 446 O THR A 28 -4.811 -2.823 -8.035 1.00 0.00 O ATOM 447 CB THR A 28 -5.698 -0.422 -10.191 1.00 0.00 C ATOM 448 OG1 THR A 28 -5.788 0.989 -10.430 1.00 0.00 O ATOM 449 CG2 THR A 28 -7.046 -0.941 -9.710 1.00 0.00 C ATOM 0 H THR A 28 -3.372 0.416 -10.433 1.00 0.00 H new ATOM 0 HA THR A 28 -4.891 -0.304 -8.188 1.00 0.00 H new ATOM 0 HB THR A 28 -5.438 -0.937 -11.116 1.00 0.00 H new ATOM 0 HG1 THR A 28 -5.073 1.263 -11.042 1.00 0.00 H new ATOM 0 HG21 THR A 28 -7.807 -0.725 -10.460 1.00 0.00 H new ATOM 0 HG22 THR A 28 -6.986 -2.018 -9.553 1.00 0.00 H new ATOM 0 HG23 THR A 28 -7.311 -0.452 -8.773 1.00 0.00 H new ATOM 457 N ASN A 29 -3.758 -2.807 -10.025 1.00 0.00 N ATOM 458 CA ASN A 29 -3.580 -4.255 -10.117 1.00 0.00 C ATOM 459 C ASN A 29 -2.888 -4.810 -8.869 1.00 0.00 C ATOM 460 O ASN A 29 -3.326 -5.815 -8.304 1.00 0.00 O ATOM 461 CB ASN A 29 -2.765 -4.581 -11.375 1.00 0.00 C ATOM 462 CG ASN A 29 -2.762 -6.054 -11.748 1.00 0.00 C ATOM 463 OD1 ASN A 29 -2.791 -6.937 -10.891 1.00 0.00 O ATOM 464 ND2 ASN A 29 -2.732 -6.323 -13.043 1.00 0.00 N ATOM 0 H ASN A 29 -3.339 -2.292 -10.799 1.00 0.00 H new ATOM 0 HA ASN A 29 -4.560 -4.728 -10.183 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -3.163 -4.006 -12.211 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -1.736 -4.254 -11.224 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -2.732 -7.292 -13.363 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -2.709 -5.562 -13.722 1.00 0.00 H new ATOM 471 N THR A 30 -1.825 -4.141 -8.428 1.00 0.00 N ATOM 472 CA THR A 30 -1.072 -4.593 -7.262 1.00 0.00 C ATOM 473 C THR A 30 -1.930 -4.583 -5.995 1.00 0.00 C ATOM 474 O THR A 30 -1.927 -5.545 -5.224 1.00 0.00 O ATOM 475 CB THR A 30 0.208 -3.749 -7.047 1.00 0.00 C ATOM 476 OG1 THR A 30 -0.066 -2.346 -7.222 1.00 0.00 O ATOM 477 CG2 THR A 30 1.301 -4.178 -8.014 1.00 0.00 C ATOM 0 H THR A 30 -1.467 -3.288 -8.858 1.00 0.00 H new ATOM 0 HA THR A 30 -0.774 -5.622 -7.463 1.00 0.00 H new ATOM 0 HB THR A 30 0.548 -3.917 -6.025 1.00 0.00 H new ATOM 0 HG1 THR A 30 -1.035 -2.201 -7.232 1.00 0.00 H new ATOM 0 HG21 THR A 30 2.192 -3.573 -7.847 1.00 0.00 H new ATOM 0 HG22 THR A 30 1.540 -5.229 -7.850 1.00 0.00 H new ATOM 0 HG23 THR A 30 0.955 -4.040 -9.038 1.00 0.00 H new ATOM 485 N ILE A 31 -2.694 -3.513 -5.800 1.00 0.00 N ATOM 486 CA ILE A 31 -3.510 -3.371 -4.600 1.00 0.00 C ATOM 487 C ILE A 31 -4.716 -4.299 -4.654 1.00 0.00 C ATOM 488 O ILE A 31 -5.034 -4.987 -3.683 1.00 0.00 O ATOM 489 CB ILE A 31 -3.996 -1.916 -4.419 1.00 0.00 C ATOM 490 CG1 ILE A 31 -2.804 -0.957 -4.351 1.00 0.00 C ATOM 491 CG2 ILE A 31 -4.853 -1.790 -3.165 1.00 0.00 C ATOM 492 CD1 ILE A 31 -3.202 0.505 -4.278 1.00 0.00 C ATOM 0 H ILE A 31 -2.765 -2.734 -6.455 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.883 -3.641 -3.750 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.606 -1.648 -5.281 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.199 -1.204 -3.478 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.175 -1.110 -5.228 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -5.186 -0.758 -3.054 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -5.721 -2.444 -3.250 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -4.266 -2.077 -2.293 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.306 1.124 -4.232 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.781 0.769 -5.163 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.805 0.674 -3.386 1.00 0.00 H new ATOM 504 N LYS A 32 -5.363 -4.325 -5.810 1.00 0.00 N ATOM 505 CA LYS A 32 -6.568 -5.114 -6.012 1.00 0.00 C ATOM 506 C LYS A 32 -6.301 -6.592 -5.750 1.00 0.00 C ATOM 507 O LYS A 32 -7.128 -7.294 -5.168 1.00 0.00 O ATOM 508 CB LYS A 32 -7.072 -4.918 -7.446 1.00 0.00 C ATOM 509 CG LYS A 32 -8.417 -5.564 -7.735 1.00 0.00 C ATOM 510 CD LYS A 32 -8.921 -5.175 -9.115 1.00 0.00 C ATOM 511 CE LYS A 32 -10.263 -5.814 -9.430 1.00 0.00 C ATOM 512 NZ LYS A 32 -10.158 -7.288 -9.572 1.00 0.00 N ATOM 0 H LYS A 32 -5.067 -3.800 -6.633 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.329 -4.777 -5.308 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -7.145 -3.850 -7.649 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -6.332 -5.324 -8.136 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -8.326 -6.648 -7.669 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.141 -5.259 -6.980 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -9.012 -4.091 -9.176 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -8.191 -5.476 -9.866 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -10.973 -5.576 -8.638 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -10.660 -5.388 -10.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -11.056 -7.667 -9.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -9.392 -7.519 -10.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -9.952 -7.712 -8.645 1.00 0.00 H new ATOM 526 N THR A 33 -5.129 -7.050 -6.161 1.00 0.00 N ATOM 527 CA THR A 33 -4.812 -8.467 -6.096 1.00 0.00 C ATOM 528 C THR A 33 -4.327 -8.883 -4.707 1.00 0.00 C ATOM 529 O THR A 33 -4.877 -9.805 -4.101 1.00 0.00 O ATOM 530 CB THR A 33 -3.751 -8.842 -7.151 1.00 0.00 C ATOM 531 OG1 THR A 33 -4.170 -8.375 -8.440 1.00 0.00 O ATOM 532 CG2 THR A 33 -3.541 -10.350 -7.202 1.00 0.00 C ATOM 0 H THR A 33 -4.385 -6.464 -6.541 1.00 0.00 H new ATOM 0 HA THR A 33 -5.735 -9.006 -6.307 1.00 0.00 H new ATOM 0 HB THR A 33 -2.808 -8.371 -6.873 1.00 0.00 H new ATOM 0 HG1 THR A 33 -3.727 -7.524 -8.639 1.00 0.00 H new ATOM 0 HG21 THR A 33 -2.788 -10.587 -7.954 1.00 0.00 H new ATOM 0 HG22 THR A 33 -3.205 -10.704 -6.227 1.00 0.00 H new ATOM 0 HG23 THR A 33 -4.480 -10.840 -7.461 1.00 0.00 H new ATOM 540 N TYR A 34 -3.311 -8.194 -4.202 1.00 0.00 N ATOM 541 CA TYR A 34 -2.687 -8.581 -2.942 1.00 0.00 C ATOM 542 C TYR A 34 -3.482 -8.106 -1.727 1.00 0.00 C ATOM 543 O TYR A 34 -3.790 -8.889 -0.831 1.00 0.00 O ATOM 544 CB TYR A 34 -1.257 -8.042 -2.865 1.00 0.00 C ATOM 545 CG TYR A 34 -0.331 -8.582 -3.934 1.00 0.00 C ATOM 546 CD1 TYR A 34 -0.094 -9.944 -4.052 1.00 0.00 C ATOM 547 CD2 TYR A 34 0.310 -7.727 -4.819 1.00 0.00 C ATOM 548 CE1 TYR A 34 0.756 -10.440 -5.023 1.00 0.00 C ATOM 549 CE2 TYR A 34 1.162 -8.212 -5.793 1.00 0.00 C ATOM 550 CZ TYR A 34 1.383 -9.570 -5.890 1.00 0.00 C ATOM 551 OH TYR A 34 2.234 -10.057 -6.857 1.00 0.00 O ATOM 0 H TYR A 34 -2.903 -7.369 -4.642 1.00 0.00 H new ATOM 0 HA TYR A 34 -2.671 -9.671 -2.920 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -1.286 -6.955 -2.941 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -0.842 -8.282 -1.886 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -0.582 -10.628 -3.374 1.00 0.00 H new ATOM 0 HD2 TYR A 34 0.140 -6.663 -4.745 1.00 0.00 H new ATOM 0 HE1 TYR A 34 0.928 -11.503 -5.102 1.00 0.00 H new ATOM 0 HE2 TYR A 34 1.652 -7.532 -6.474 1.00 0.00 H new ATOM 0 HH TYR A 34 2.403 -9.360 -7.525 1.00 0.00 H new ATOM 561 N CYS A 35 -3.828 -6.828 -1.709 1.00 0.00 N ATOM 562 CA CYS A 35 -4.414 -6.214 -0.524 1.00 0.00 C ATOM 563 C CYS A 35 -5.925 -6.414 -0.476 1.00 0.00 C ATOM 564 O CYS A 35 -6.504 -6.530 0.606 1.00 0.00 O ATOM 565 CB CYS A 35 -4.084 -4.721 -0.501 1.00 0.00 C ATOM 566 SG CYS A 35 -2.317 -4.361 -0.612 1.00 0.00 S ATOM 0 H CYS A 35 -3.714 -6.195 -2.500 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.987 -6.699 0.354 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -4.597 -4.233 -1.329 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -4.477 -4.286 0.418 1.00 0.00 H new ATOM 0 HG CYS A 35 -2.134 -3.074 -0.588 1.00 0.00 H new ATOM 572 N GLY A 36 -6.539 -6.477 -1.654 1.00 0.00 N ATOM 573 CA GLY A 36 -7.992 -6.559 -1.773 1.00 0.00 C ATOM 574 C GLY A 36 -8.655 -7.556 -0.830 1.00 0.00 C ATOM 575 O GLY A 36 -9.418 -7.153 0.043 1.00 0.00 O ATOM 0 H GLY A 36 -6.048 -6.473 -2.548 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -8.414 -5.571 -1.590 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -8.244 -6.828 -2.799 1.00 0.00 H new ATOM 579 N PRO A 37 -8.385 -8.863 -0.973 1.00 0.00 N ATOM 580 CA PRO A 37 -9.064 -9.899 -0.181 1.00 0.00 C ATOM 581 C PRO A 37 -8.718 -9.860 1.310 1.00 0.00 C ATOM 582 O PRO A 37 -9.464 -10.385 2.136 1.00 0.00 O ATOM 583 CB PRO A 37 -8.573 -11.208 -0.805 1.00 0.00 C ATOM 584 CG PRO A 37 -7.275 -10.864 -1.447 1.00 0.00 C ATOM 585 CD PRO A 37 -7.408 -9.442 -1.914 1.00 0.00 C ATOM 0 HA PRO A 37 -10.145 -9.765 -0.211 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -8.447 -11.983 -0.049 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -9.286 -11.589 -1.536 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -6.451 -10.967 -0.741 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -7.064 -11.531 -2.283 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -6.454 -8.916 -1.877 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -7.762 -9.389 -2.944 1.00 0.00 H new ATOM 593 N VAL A 38 -7.602 -9.231 1.658 1.00 0.00 N ATOM 594 CA VAL A 38 -7.138 -9.239 3.040 1.00 0.00 C ATOM 595 C VAL A 38 -7.564 -7.973 3.786 1.00 0.00 C ATOM 596 O VAL A 38 -8.467 -8.009 4.621 1.00 0.00 O ATOM 597 CB VAL A 38 -5.602 -9.383 3.123 1.00 0.00 C ATOM 598 CG1 VAL A 38 -5.153 -9.511 4.573 1.00 0.00 C ATOM 599 CG2 VAL A 38 -5.126 -10.579 2.312 1.00 0.00 C ATOM 0 H VAL A 38 -7.007 -8.714 1.010 1.00 0.00 H new ATOM 0 HA VAL A 38 -7.602 -10.103 3.515 1.00 0.00 H new ATOM 0 HB VAL A 38 -5.154 -8.483 2.700 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -4.068 -9.611 4.610 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -5.454 -8.622 5.127 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -5.615 -10.391 5.020 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.042 -10.660 2.386 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.585 -11.488 2.701 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.410 -10.447 1.268 1.00 0.00 H new ATOM 609 N ILE A 39 -6.922 -6.855 3.469 1.00 0.00 N ATOM 610 CA ILE A 39 -7.152 -5.609 4.194 1.00 0.00 C ATOM 611 C ILE A 39 -8.076 -4.677 3.420 1.00 0.00 C ATOM 612 O ILE A 39 -8.433 -3.605 3.906 1.00 0.00 O ATOM 613 CB ILE A 39 -5.828 -4.871 4.497 1.00 0.00 C ATOM 614 CG1 ILE A 39 -5.055 -4.590 3.203 1.00 0.00 C ATOM 615 CG2 ILE A 39 -4.977 -5.681 5.469 1.00 0.00 C ATOM 616 CD1 ILE A 39 -3.773 -3.811 3.413 1.00 0.00 C ATOM 0 H ILE A 39 -6.238 -6.785 2.715 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.627 -5.883 5.136 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.066 -3.915 4.963 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.818 -5.538 2.719 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -5.698 -4.035 2.520 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.048 -5.147 5.672 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.525 -5.823 6.401 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.749 -6.652 5.030 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.283 -3.651 2.453 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -4.003 -2.847 3.868 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -3.109 -4.373 4.070 1.00 0.00 H new ATOM 628 N GLY A 40 -8.460 -5.104 2.222 1.00 0.00 N ATOM 629 CA GLY A 40 -9.319 -4.303 1.365 1.00 0.00 C ATOM 630 C GLY A 40 -10.600 -3.836 2.044 1.00 0.00 C ATOM 631 O GLY A 40 -10.809 -2.631 2.199 1.00 0.00 O ATOM 0 H GLY A 40 -8.188 -6.003 1.824 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.762 -3.431 1.021 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.579 -4.885 0.481 1.00 0.00 H new ATOM 635 N PRO A 41 -11.489 -4.765 2.447 1.00 0.00 N ATOM 636 CA PRO A 41 -12.780 -4.424 3.058 1.00 0.00 C ATOM 637 C PRO A 41 -12.657 -3.936 4.500 1.00 0.00 C ATOM 638 O PRO A 41 -13.665 -3.707 5.173 1.00 0.00 O ATOM 639 CB PRO A 41 -13.571 -5.741 3.017 1.00 0.00 C ATOM 640 CG PRO A 41 -12.750 -6.684 2.197 1.00 0.00 C ATOM 641 CD PRO A 41 -11.331 -6.218 2.322 1.00 0.00 C ATOM 0 HA PRO A 41 -13.255 -3.602 2.523 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -13.730 -6.133 4.022 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -14.555 -5.592 2.573 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -12.857 -7.707 2.557 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -13.072 -6.677 1.156 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -10.836 -6.650 3.192 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -10.736 -6.489 1.450 1.00 0.00 H new ATOM 649 N LEU A 42 -11.431 -3.780 4.974 1.00 0.00 N ATOM 650 CA LEU A 42 -11.197 -3.310 6.328 1.00 0.00 C ATOM 651 C LEU A 42 -11.046 -1.796 6.331 1.00 0.00 C ATOM 652 O LEU A 42 -10.621 -1.212 5.334 1.00 0.00 O ATOM 653 CB LEU A 42 -9.941 -3.959 6.917 1.00 0.00 C ATOM 654 CG LEU A 42 -9.911 -5.489 6.881 1.00 0.00 C ATOM 655 CD1 LEU A 42 -8.659 -6.012 7.562 1.00 0.00 C ATOM 656 CD2 LEU A 42 -11.154 -6.071 7.536 1.00 0.00 C ATOM 0 H LEU A 42 -10.583 -3.972 4.440 1.00 0.00 H new ATOM 0 HA LEU A 42 -12.052 -3.589 6.944 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -9.072 -3.583 6.377 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -9.838 -3.635 7.953 1.00 0.00 H new ATOM 0 HG LEU A 42 -9.897 -5.804 5.838 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.654 -7.101 7.527 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.778 -5.628 7.048 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.645 -5.682 8.601 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -11.110 -7.159 7.498 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -11.204 -5.746 8.575 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -12.041 -5.725 7.005 1.00 0.00 H new ATOM 668 N SER A 43 -11.420 -1.167 7.437 1.00 0.00 N ATOM 669 CA SER A 43 -11.269 0.255 7.598 1.00 0.00 C ATOM 670 C SER A 43 -9.804 0.662 7.434 1.00 0.00 C ATOM 671 O SER A 43 -8.921 0.096 8.075 1.00 0.00 O ATOM 672 CB SER A 43 -11.782 0.638 8.981 1.00 0.00 C ATOM 673 OG SER A 43 -13.114 0.181 9.187 1.00 0.00 O ATOM 0 H SER A 43 -11.835 -1.636 8.242 1.00 0.00 H new ATOM 0 HA SER A 43 -11.843 0.778 6.833 1.00 0.00 H new ATOM 0 HB2 SER A 43 -11.128 0.214 9.743 1.00 0.00 H new ATOM 0 HB3 SER A 43 -11.746 1.721 9.097 1.00 0.00 H new ATOM 0 HG SER A 43 -13.414 0.440 10.083 1.00 0.00 H new ATOM 679 N VAL A 44 -9.556 1.652 6.580 1.00 0.00 N ATOM 680 CA VAL A 44 -8.195 2.097 6.276 1.00 0.00 C ATOM 681 C VAL A 44 -7.514 2.681 7.519 1.00 0.00 C ATOM 682 O VAL A 44 -6.289 2.712 7.623 1.00 0.00 O ATOM 683 CB VAL A 44 -8.195 3.134 5.124 1.00 0.00 C ATOM 684 CG1 VAL A 44 -8.910 4.412 5.534 1.00 0.00 C ATOM 685 CG2 VAL A 44 -6.779 3.435 4.660 1.00 0.00 C ATOM 0 H VAL A 44 -10.284 2.165 6.083 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.627 1.224 5.954 1.00 0.00 H new ATOM 0 HB VAL A 44 -8.740 2.697 4.287 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -8.894 5.120 4.705 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -9.943 4.183 5.795 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -8.406 4.850 6.396 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -6.809 4.165 3.851 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.201 3.838 5.492 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.310 2.518 4.304 1.00 0.00 H new ATOM 695 N GLN A 45 -8.320 3.123 8.470 1.00 0.00 N ATOM 696 CA GLN A 45 -7.809 3.656 9.723 1.00 0.00 C ATOM 697 C GLN A 45 -7.383 2.517 10.650 1.00 0.00 C ATOM 698 O GLN A 45 -6.512 2.687 11.505 1.00 0.00 O ATOM 699 CB GLN A 45 -8.891 4.496 10.400 1.00 0.00 C ATOM 700 CG GLN A 45 -8.418 5.257 11.626 1.00 0.00 C ATOM 701 CD GLN A 45 -9.548 5.985 12.322 1.00 0.00 C ATOM 702 OE1 GLN A 45 -10.170 5.454 13.240 1.00 0.00 O ATOM 703 NE2 GLN A 45 -9.839 7.198 11.879 1.00 0.00 N ATOM 0 H GLN A 45 -9.337 3.123 8.398 1.00 0.00 H new ATOM 0 HA GLN A 45 -6.940 4.281 9.514 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -9.288 5.208 9.676 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -9.714 3.842 10.688 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -7.952 4.562 12.325 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -7.653 5.975 11.332 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -9.300 7.605 11.115 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -10.603 7.726 12.302 1.00 0.00 H new ATOM 712 N ASP A 46 -7.976 1.351 10.429 1.00 0.00 N ATOM 713 CA ASP A 46 -7.852 0.220 11.346 1.00 0.00 C ATOM 714 C ASP A 46 -6.775 -0.761 10.882 1.00 0.00 C ATOM 715 O ASP A 46 -6.517 -1.772 11.536 1.00 0.00 O ATOM 716 CB ASP A 46 -9.211 -0.486 11.450 1.00 0.00 C ATOM 717 CG ASP A 46 -9.262 -1.556 12.523 1.00 0.00 C ATOM 718 OD1 ASP A 46 -9.134 -1.217 13.718 1.00 0.00 O ATOM 719 OD2 ASP A 46 -9.470 -2.737 12.177 1.00 0.00 O ATOM 0 H ASP A 46 -8.556 1.160 9.612 1.00 0.00 H new ATOM 0 HA ASP A 46 -7.550 0.592 12.325 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -9.982 0.257 11.654 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -9.450 -0.938 10.487 1.00 0.00 H new ATOM 724 N VAL A 47 -6.143 -0.451 9.756 1.00 0.00 N ATOM 725 CA VAL A 47 -5.094 -1.301 9.205 1.00 0.00 C ATOM 726 C VAL A 47 -3.857 -1.278 10.099 1.00 0.00 C ATOM 727 O VAL A 47 -3.302 -0.216 10.385 1.00 0.00 O ATOM 728 CB VAL A 47 -4.703 -0.863 7.775 1.00 0.00 C ATOM 729 CG1 VAL A 47 -3.623 -1.770 7.204 1.00 0.00 C ATOM 730 CG2 VAL A 47 -5.922 -0.852 6.863 1.00 0.00 C ATOM 0 H VAL A 47 -6.339 0.385 9.205 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.490 -2.316 9.161 1.00 0.00 H new ATOM 0 HB VAL A 47 -4.304 0.150 7.832 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.366 -1.440 6.197 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.737 -1.725 7.838 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -3.991 -2.795 7.167 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -5.624 -0.541 5.862 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.353 -1.852 6.819 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -6.663 -0.155 7.254 1.00 0.00 H new ATOM 740 N ASP A 48 -3.435 -2.456 10.538 1.00 0.00 N ATOM 741 CA ASP A 48 -2.295 -2.574 11.435 1.00 0.00 C ATOM 742 C ASP A 48 -1.031 -2.885 10.660 1.00 0.00 C ATOM 743 O ASP A 48 -1.079 -3.240 9.479 1.00 0.00 O ATOM 744 CB ASP A 48 -2.511 -3.679 12.471 1.00 0.00 C ATOM 745 CG ASP A 48 -3.617 -3.379 13.460 1.00 0.00 C ATOM 746 OD1 ASP A 48 -3.474 -2.418 14.245 1.00 0.00 O ATOM 747 OD2 ASP A 48 -4.609 -4.135 13.489 1.00 0.00 O ATOM 0 H ASP A 48 -3.867 -3.345 10.286 1.00 0.00 H new ATOM 0 HA ASP A 48 -2.193 -1.616 11.945 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -2.742 -4.610 11.953 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -1.581 -3.840 13.017 1.00 0.00 H new ATOM 752 N THR A 49 0.097 -2.781 11.343 1.00 0.00 N ATOM 753 CA THR A 49 1.386 -3.093 10.756 1.00 0.00 C ATOM 754 C THR A 49 1.489 -4.594 10.484 1.00 0.00 C ATOM 755 O THR A 49 2.012 -5.018 9.452 1.00 0.00 O ATOM 756 CB THR A 49 2.525 -2.659 11.698 1.00 0.00 C ATOM 757 OG1 THR A 49 2.224 -1.371 12.249 1.00 0.00 O ATOM 758 CG2 THR A 49 3.853 -2.597 10.960 1.00 0.00 C ATOM 0 H THR A 49 0.143 -2.479 12.316 1.00 0.00 H new ATOM 0 HA THR A 49 1.478 -2.549 9.816 1.00 0.00 H new ATOM 0 HB THR A 49 2.610 -3.396 12.496 1.00 0.00 H new ATOM 0 HG1 THR A 49 2.947 -1.095 12.850 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.638 -2.288 11.650 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.091 -3.581 10.556 1.00 0.00 H new ATOM 0 HG23 THR A 49 3.783 -1.877 10.144 1.00 0.00 H new ATOM 766 N LYS A 50 0.962 -5.389 11.415 1.00 0.00 N ATOM 767 CA LYS A 50 0.968 -6.840 11.283 1.00 0.00 C ATOM 768 C LYS A 50 0.178 -7.272 10.061 1.00 0.00 C ATOM 769 O LYS A 50 0.595 -8.163 9.327 1.00 0.00 O ATOM 770 CB LYS A 50 0.363 -7.501 12.518 1.00 0.00 C ATOM 771 CG LYS A 50 0.571 -9.006 12.545 1.00 0.00 C ATOM 772 CD LYS A 50 -0.234 -9.678 13.645 1.00 0.00 C ATOM 773 CE LYS A 50 0.062 -9.083 15.011 1.00 0.00 C ATOM 774 NZ LYS A 50 -0.509 -9.914 16.101 1.00 0.00 N ATOM 0 H LYS A 50 0.525 -5.048 12.271 1.00 0.00 H new ATOM 0 HA LYS A 50 2.006 -7.154 11.176 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.805 -7.062 13.412 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.705 -7.286 12.552 1.00 0.00 H new ATOM 0 HG2 LYS A 50 0.287 -9.427 11.581 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.630 -9.222 12.688 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.298 -9.578 13.429 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -0.010 -10.745 13.658 1.00 0.00 H new ATOM 0 HE2 LYS A 50 1.140 -8.996 15.145 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -0.349 -8.075 15.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -0.289 -9.480 17.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -1.541 -9.977 15.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -0.098 -10.868 16.062 1.00 0.00 H new ATOM 788 N LEU A 51 -0.966 -6.634 9.850 1.00 0.00 N ATOM 789 CA LEU A 51 -1.823 -6.962 8.723 1.00 0.00 C ATOM 790 C LEU A 51 -1.077 -6.773 7.407 1.00 0.00 C ATOM 791 O LEU A 51 -1.185 -7.596 6.500 1.00 0.00 O ATOM 792 CB LEU A 51 -3.085 -6.101 8.744 1.00 0.00 C ATOM 793 CG LEU A 51 -3.986 -6.296 9.964 1.00 0.00 C ATOM 794 CD1 LEU A 51 -5.278 -5.513 9.800 1.00 0.00 C ATOM 795 CD2 LEU A 51 -4.287 -7.771 10.182 1.00 0.00 C ATOM 0 H LEU A 51 -1.320 -5.886 10.446 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.113 -8.009 8.808 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.791 -5.053 8.693 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -3.665 -6.313 7.846 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.458 -5.920 10.841 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.908 -5.663 10.677 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -5.050 -4.452 9.694 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -5.804 -5.862 8.911 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.929 -7.886 11.055 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.793 -8.173 9.304 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.355 -8.313 10.343 1.00 0.00 H new ATOM 807 N ILE A 52 -0.316 -5.691 7.317 1.00 0.00 N ATOM 808 CA ILE A 52 0.506 -5.429 6.141 1.00 0.00 C ATOM 809 C ILE A 52 1.616 -6.475 6.016 1.00 0.00 C ATOM 810 O ILE A 52 1.884 -6.980 4.925 1.00 0.00 O ATOM 811 CB ILE A 52 1.114 -4.011 6.191 1.00 0.00 C ATOM 812 CG1 ILE A 52 -0.004 -2.973 6.312 1.00 0.00 C ATOM 813 CG2 ILE A 52 1.966 -3.743 4.955 1.00 0.00 C ATOM 814 CD1 ILE A 52 0.488 -1.551 6.461 1.00 0.00 C ATOM 0 H ILE A 52 -0.250 -4.979 8.044 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.138 -5.493 5.264 1.00 0.00 H new ATOM 0 HB ILE A 52 1.761 -3.937 7.065 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.640 -3.035 5.429 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -0.626 -3.223 7.172 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.384 -2.738 5.012 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.776 -4.471 4.907 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.348 -3.828 4.061 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.365 -0.877 6.541 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.100 -1.470 7.360 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.085 -1.279 5.590 1.00 0.00 H new ATOM 826 N MET A 53 2.243 -6.813 7.143 1.00 0.00 N ATOM 827 CA MET A 53 3.269 -7.854 7.173 1.00 0.00 C ATOM 828 C MET A 53 2.705 -9.174 6.665 1.00 0.00 C ATOM 829 O MET A 53 3.338 -9.867 5.877 1.00 0.00 O ATOM 830 CB MET A 53 3.799 -8.064 8.594 1.00 0.00 C ATOM 831 CG MET A 53 4.589 -6.895 9.155 1.00 0.00 C ATOM 832 SD MET A 53 5.111 -7.182 10.859 1.00 0.00 S ATOM 833 CE MET A 53 6.046 -5.690 11.188 1.00 0.00 C ATOM 0 H MET A 53 2.058 -6.380 8.048 1.00 0.00 H new ATOM 0 HA MET A 53 4.084 -7.526 6.528 1.00 0.00 H new ATOM 0 HB2 MET A 53 2.957 -8.266 9.255 1.00 0.00 H new ATOM 0 HB3 MET A 53 4.432 -8.951 8.604 1.00 0.00 H new ATOM 0 HG2 MET A 53 5.466 -6.719 8.533 1.00 0.00 H new ATOM 0 HG3 MET A 53 3.980 -5.992 9.110 1.00 0.00 H new ATOM 0 HE1 MET A 53 6.788 -5.889 11.961 1.00 0.00 H new ATOM 0 HE2 MET A 53 6.549 -5.367 10.276 1.00 0.00 H new ATOM 0 HE3 MET A 53 5.370 -4.905 11.527 1.00 0.00 H new ATOM 843 N LYS A 54 1.507 -9.499 7.127 1.00 0.00 N ATOM 844 CA LYS A 54 0.840 -10.750 6.782 1.00 0.00 C ATOM 845 C LYS A 54 0.659 -10.887 5.273 1.00 0.00 C ATOM 846 O LYS A 54 0.871 -11.960 4.709 1.00 0.00 O ATOM 847 CB LYS A 54 -0.519 -10.811 7.484 1.00 0.00 C ATOM 848 CG LYS A 54 -1.238 -12.138 7.340 1.00 0.00 C ATOM 849 CD LYS A 54 -2.583 -12.099 8.039 1.00 0.00 C ATOM 850 CE LYS A 54 -3.272 -13.448 8.001 1.00 0.00 C ATOM 851 NZ LYS A 54 -4.621 -13.387 8.615 1.00 0.00 N ATOM 0 H LYS A 54 0.967 -8.902 7.754 1.00 0.00 H new ATOM 0 HA LYS A 54 1.465 -11.578 7.116 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.377 -10.602 8.544 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.156 -10.021 7.086 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.378 -12.368 6.284 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.627 -12.936 7.762 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -2.446 -11.789 9.075 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.219 -11.352 7.564 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.356 -13.786 6.968 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -2.664 -14.183 8.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.065 -14.327 8.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.537 -13.088 9.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -5.208 -12.703 8.096 1.00 0.00 H new ATOM 865 N VAL A 55 0.275 -9.794 4.626 1.00 0.00 N ATOM 866 CA VAL A 55 0.065 -9.789 3.182 1.00 0.00 C ATOM 867 C VAL A 55 1.392 -9.914 2.438 1.00 0.00 C ATOM 868 O VAL A 55 1.501 -10.644 1.454 1.00 0.00 O ATOM 869 CB VAL A 55 -0.650 -8.497 2.721 1.00 0.00 C ATOM 870 CG1 VAL A 55 -0.900 -8.516 1.219 1.00 0.00 C ATOM 871 CG2 VAL A 55 -1.957 -8.309 3.473 1.00 0.00 C ATOM 0 H VAL A 55 0.102 -8.897 5.079 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.565 -10.647 2.948 1.00 0.00 H new ATOM 0 HB VAL A 55 0.004 -7.655 2.946 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -1.404 -7.596 0.922 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.051 -8.595 0.693 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.527 -9.371 0.965 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -2.444 -7.395 3.134 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.611 -9.160 3.284 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.755 -8.237 4.542 1.00 0.00 H new ATOM 881 N LEU A 56 2.401 -9.208 2.927 1.00 0.00 N ATOM 882 CA LEU A 56 3.693 -9.147 2.256 1.00 0.00 C ATOM 883 C LEU A 56 4.542 -10.389 2.517 1.00 0.00 C ATOM 884 O LEU A 56 5.419 -10.711 1.720 1.00 0.00 O ATOM 885 CB LEU A 56 4.455 -7.894 2.688 1.00 0.00 C ATOM 886 CG LEU A 56 3.837 -6.567 2.247 1.00 0.00 C ATOM 887 CD1 LEU A 56 4.661 -5.400 2.764 1.00 0.00 C ATOM 888 CD2 LEU A 56 3.733 -6.510 0.732 1.00 0.00 C ATOM 0 H LEU A 56 2.350 -8.667 3.790 1.00 0.00 H new ATOM 0 HA LEU A 56 3.496 -9.105 1.185 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.535 -7.895 3.775 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.469 -7.952 2.293 1.00 0.00 H new ATOM 0 HG LEU A 56 2.834 -6.496 2.668 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.207 -4.463 2.441 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.693 -5.431 3.853 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.675 -5.467 2.369 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.291 -5.559 0.433 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.728 -6.601 0.295 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.106 -7.329 0.379 1.00 0.00 H new ATOM 900 N ASP A 57 4.280 -11.076 3.628 1.00 0.00 N ATOM 901 CA ASP A 57 5.069 -12.250 4.042 1.00 0.00 C ATOM 902 C ASP A 57 5.306 -13.224 2.882 1.00 0.00 C ATOM 903 O ASP A 57 6.455 -13.513 2.545 1.00 0.00 O ATOM 904 CB ASP A 57 4.379 -12.986 5.194 1.00 0.00 C ATOM 905 CG ASP A 57 5.277 -14.017 5.853 1.00 0.00 C ATOM 906 OD1 ASP A 57 5.419 -15.131 5.306 1.00 0.00 O ATOM 907 OD2 ASP A 57 5.828 -13.730 6.938 1.00 0.00 O ATOM 0 H ASP A 57 3.521 -10.842 4.268 1.00 0.00 H new ATOM 0 HA ASP A 57 6.038 -11.878 4.374 1.00 0.00 H new ATOM 0 HB2 ASP A 57 4.056 -12.261 5.941 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.482 -13.478 4.819 1.00 0.00 H new ATOM 912 N PRO A 58 4.236 -13.740 2.236 1.00 0.00 N ATOM 913 CA PRO A 58 4.384 -14.700 1.139 1.00 0.00 C ATOM 914 C PRO A 58 4.955 -14.061 -0.124 1.00 0.00 C ATOM 915 O PRO A 58 5.358 -14.757 -1.057 1.00 0.00 O ATOM 916 CB PRO A 58 2.956 -15.189 0.894 1.00 0.00 C ATOM 917 CG PRO A 58 2.084 -14.078 1.367 1.00 0.00 C ATOM 918 CD PRO A 58 2.813 -13.442 2.517 1.00 0.00 C ATOM 0 HA PRO A 58 5.083 -15.497 1.392 1.00 0.00 H new ATOM 0 HB2 PRO A 58 2.787 -15.402 -0.162 1.00 0.00 H new ATOM 0 HB3 PRO A 58 2.754 -16.110 1.441 1.00 0.00 H new ATOM 0 HG2 PRO A 58 1.905 -13.356 0.570 1.00 0.00 H new ATOM 0 HG3 PRO A 58 1.110 -14.453 1.682 1.00 0.00 H new ATOM 0 HD2 PRO A 58 2.630 -12.368 2.563 1.00 0.00 H new ATOM 0 HD3 PRO A 58 2.497 -13.861 3.473 1.00 0.00 H new ATOM 926 N ILE A 59 5.001 -12.738 -0.145 1.00 0.00 N ATOM 927 CA ILE A 59 5.488 -12.011 -1.304 1.00 0.00 C ATOM 928 C ILE A 59 6.984 -11.741 -1.180 1.00 0.00 C ATOM 929 O ILE A 59 7.707 -11.807 -2.169 1.00 0.00 O ATOM 930 CB ILE A 59 4.741 -10.673 -1.493 1.00 0.00 C ATOM 931 CG1 ILE A 59 3.227 -10.888 -1.405 1.00 0.00 C ATOM 932 CG2 ILE A 59 5.109 -10.053 -2.836 1.00 0.00 C ATOM 933 CD1 ILE A 59 2.428 -9.605 -1.512 1.00 0.00 C ATOM 0 H ILE A 59 4.706 -12.145 0.631 1.00 0.00 H new ATOM 0 HA ILE A 59 5.302 -12.637 -2.177 1.00 0.00 H new ATOM 0 HB ILE A 59 5.040 -9.991 -0.697 1.00 0.00 H new ATOM 0 HG12 ILE A 59 2.917 -11.567 -2.200 1.00 0.00 H new ATOM 0 HG13 ILE A 59 2.991 -11.376 -0.459 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.577 -9.110 -2.959 1.00 0.00 H new ATOM 0 HG22 ILE A 59 6.183 -9.871 -2.871 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.831 -10.734 -3.640 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.364 -9.832 -1.442 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.710 -8.932 -0.702 1.00 0.00 H new ATOM 0 HD13 ILE A 59 2.635 -9.127 -2.469 1.00 0.00 H new ATOM 945 N TRP A 60 7.445 -11.461 0.041 1.00 0.00 N ATOM 946 CA TRP A 60 8.866 -11.190 0.295 1.00 0.00 C ATOM 947 C TRP A 60 9.753 -12.310 -0.236 1.00 0.00 C ATOM 948 O TRP A 60 10.874 -12.075 -0.678 1.00 0.00 O ATOM 949 CB TRP A 60 9.140 -11.023 1.795 1.00 0.00 C ATOM 950 CG TRP A 60 8.636 -9.737 2.384 1.00 0.00 C ATOM 951 CD1 TRP A 60 7.742 -9.599 3.406 1.00 0.00 C ATOM 952 CD2 TRP A 60 9.009 -8.408 1.996 1.00 0.00 C ATOM 953 NE1 TRP A 60 7.536 -8.269 3.674 1.00 0.00 N ATOM 954 CE2 TRP A 60 8.298 -7.520 2.823 1.00 0.00 C ATOM 955 CE3 TRP A 60 9.872 -7.877 1.029 1.00 0.00 C ATOM 956 CZ2 TRP A 60 8.423 -6.140 2.719 1.00 0.00 C ATOM 957 CZ3 TRP A 60 9.992 -6.505 0.925 1.00 0.00 C ATOM 958 CH2 TRP A 60 9.270 -5.650 1.767 1.00 0.00 C ATOM 0 H TRP A 60 6.856 -11.415 0.872 1.00 0.00 H new ATOM 0 HA TRP A 60 9.103 -10.263 -0.227 1.00 0.00 H new ATOM 0 HB2 TRP A 60 8.683 -11.856 2.329 1.00 0.00 H new ATOM 0 HB3 TRP A 60 10.215 -11.088 1.964 1.00 0.00 H new ATOM 0 HD1 TRP A 60 7.266 -10.417 3.927 1.00 0.00 H new ATOM 0 HE1 TRP A 60 6.914 -7.899 4.393 1.00 0.00 H new ATOM 0 HE3 TRP A 60 10.434 -8.529 0.376 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 7.869 -5.478 3.369 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 10.654 -6.085 0.182 1.00 0.00 H new ATOM 0 HH2 TRP A 60 9.386 -4.581 1.661 1.00 0.00 H new ATOM 969 N GLU A 61 9.252 -13.530 -0.173 1.00 0.00 N ATOM 970 CA GLU A 61 10.004 -14.684 -0.593 1.00 0.00 C ATOM 971 C GLU A 61 9.927 -14.889 -2.107 1.00 0.00 C ATOM 972 O GLU A 61 10.928 -15.213 -2.748 1.00 0.00 O ATOM 973 CB GLU A 61 9.465 -15.901 0.138 1.00 0.00 C ATOM 974 CG GLU A 61 9.536 -15.770 1.650 1.00 0.00 C ATOM 975 CD GLU A 61 9.099 -17.024 2.371 1.00 0.00 C ATOM 976 OE1 GLU A 61 7.893 -17.165 2.655 1.00 0.00 O ATOM 977 OE2 GLU A 61 9.967 -17.874 2.664 1.00 0.00 O ATOM 0 H GLU A 61 8.315 -13.742 0.170 1.00 0.00 H new ATOM 0 HA GLU A 61 11.055 -14.532 -0.347 1.00 0.00 H new ATOM 0 HB2 GLU A 61 8.429 -16.065 -0.158 1.00 0.00 H new ATOM 0 HB3 GLU A 61 10.028 -16.782 -0.171 1.00 0.00 H new ATOM 0 HG2 GLU A 61 10.558 -15.527 1.941 1.00 0.00 H new ATOM 0 HG3 GLU A 61 8.908 -14.937 1.967 1.00 0.00 H new ATOM 984 N GLN A 62 8.743 -14.682 -2.672 1.00 0.00 N ATOM 985 CA GLN A 62 8.507 -14.958 -4.085 1.00 0.00 C ATOM 986 C GLN A 62 8.923 -13.780 -4.964 1.00 0.00 C ATOM 987 O GLN A 62 9.718 -13.935 -5.891 1.00 0.00 O ATOM 988 CB GLN A 62 7.028 -15.280 -4.309 1.00 0.00 C ATOM 989 CG GLN A 62 6.524 -16.455 -3.483 1.00 0.00 C ATOM 990 CD GLN A 62 7.136 -17.786 -3.884 1.00 0.00 C ATOM 991 OE1 GLN A 62 8.274 -17.858 -4.354 1.00 0.00 O ATOM 992 NE2 GLN A 62 6.383 -18.855 -3.684 1.00 0.00 N ATOM 0 H GLN A 62 7.930 -14.323 -2.172 1.00 0.00 H new ATOM 0 HA GLN A 62 9.117 -15.816 -4.367 1.00 0.00 H new ATOM 0 HB2 GLN A 62 6.433 -14.398 -4.070 1.00 0.00 H new ATOM 0 HB3 GLN A 62 6.868 -15.495 -5.366 1.00 0.00 H new ATOM 0 HG2 GLN A 62 6.739 -16.268 -2.431 1.00 0.00 H new ATOM 0 HG3 GLN A 62 5.440 -16.519 -3.580 1.00 0.00 H new ATOM 0 HE21 GLN A 62 5.446 -18.753 -3.293 1.00 0.00 H new ATOM 0 HE22 GLN A 62 6.739 -19.781 -3.921 1.00 0.00 H new ATOM 1001 N LYS A 63 8.393 -12.607 -4.660 1.00 0.00 N ATOM 1002 CA LYS A 63 8.645 -11.419 -5.464 1.00 0.00 C ATOM 1003 C LYS A 63 8.956 -10.224 -4.567 1.00 0.00 C ATOM 1004 O LYS A 63 8.099 -9.366 -4.343 1.00 0.00 O ATOM 1005 CB LYS A 63 7.433 -11.112 -6.356 1.00 0.00 C ATOM 1006 CG LYS A 63 7.176 -12.163 -7.426 1.00 0.00 C ATOM 1007 CD LYS A 63 5.785 -12.033 -8.032 1.00 0.00 C ATOM 1008 CE LYS A 63 5.560 -10.684 -8.703 1.00 0.00 C ATOM 1009 NZ LYS A 63 6.504 -10.450 -9.829 1.00 0.00 N ATOM 0 H LYS A 63 7.782 -12.450 -3.858 1.00 0.00 H new ATOM 0 HA LYS A 63 9.509 -11.609 -6.101 1.00 0.00 H new ATOM 0 HB2 LYS A 63 6.546 -11.021 -5.729 1.00 0.00 H new ATOM 0 HB3 LYS A 63 7.584 -10.146 -6.838 1.00 0.00 H new ATOM 0 HG2 LYS A 63 7.924 -12.069 -8.213 1.00 0.00 H new ATOM 0 HG3 LYS A 63 7.291 -13.157 -6.993 1.00 0.00 H new ATOM 0 HD2 LYS A 63 5.636 -12.827 -8.763 1.00 0.00 H new ATOM 0 HD3 LYS A 63 5.038 -12.175 -7.251 1.00 0.00 H new ATOM 0 HE2 LYS A 63 4.536 -10.631 -9.073 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.674 -9.890 -7.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 6.249 -9.569 -10.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 7.473 -10.373 -9.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 6.451 -11.245 -10.497 1.00 0.00 H new ATOM 1023 N PRO A 64 10.188 -10.159 -4.030 1.00 0.00 N ATOM 1024 CA PRO A 64 10.602 -9.083 -3.122 1.00 0.00 C ATOM 1025 C PRO A 64 10.523 -7.718 -3.788 1.00 0.00 C ATOM 1026 O PRO A 64 10.176 -6.719 -3.154 1.00 0.00 O ATOM 1027 CB PRO A 64 12.059 -9.420 -2.781 1.00 0.00 C ATOM 1028 CG PRO A 64 12.232 -10.857 -3.144 1.00 0.00 C ATOM 1029 CD PRO A 64 11.272 -11.126 -4.267 1.00 0.00 C ATOM 0 HA PRO A 64 9.956 -9.025 -2.246 1.00 0.00 H new ATOM 0 HB2 PRO A 64 12.749 -8.788 -3.340 1.00 0.00 H new ATOM 0 HB3 PRO A 64 12.262 -9.255 -1.723 1.00 0.00 H new ATOM 0 HG2 PRO A 64 13.258 -11.059 -3.452 1.00 0.00 H new ATOM 0 HG3 PRO A 64 12.023 -11.502 -2.290 1.00 0.00 H new ATOM 0 HD2 PRO A 64 11.740 -10.975 -5.240 1.00 0.00 H new ATOM 0 HD3 PRO A 64 10.906 -12.153 -4.245 1.00 0.00 H new ATOM 1037 N GLU A 65 10.832 -7.697 -5.077 1.00 0.00 N ATOM 1038 CA GLU A 65 10.782 -6.479 -5.868 1.00 0.00 C ATOM 1039 C GLU A 65 9.366 -5.909 -5.880 1.00 0.00 C ATOM 1040 O GLU A 65 9.157 -4.715 -5.673 1.00 0.00 O ATOM 1041 CB GLU A 65 11.237 -6.789 -7.291 1.00 0.00 C ATOM 1042 CG GLU A 65 11.188 -5.604 -8.234 1.00 0.00 C ATOM 1043 CD GLU A 65 11.386 -6.014 -9.675 1.00 0.00 C ATOM 1044 OE1 GLU A 65 10.399 -6.435 -10.314 1.00 0.00 O ATOM 1045 OE2 GLU A 65 12.524 -5.906 -10.179 1.00 0.00 O ATOM 0 H GLU A 65 11.123 -8.522 -5.601 1.00 0.00 H new ATOM 0 HA GLU A 65 11.445 -5.735 -5.427 1.00 0.00 H new ATOM 0 HB2 GLU A 65 12.258 -7.170 -7.259 1.00 0.00 H new ATOM 0 HB3 GLU A 65 10.612 -7.585 -7.694 1.00 0.00 H new ATOM 0 HG2 GLU A 65 10.228 -5.099 -8.130 1.00 0.00 H new ATOM 0 HG3 GLU A 65 11.958 -4.886 -7.953 1.00 0.00 H new ATOM 1052 N THR A 66 8.399 -6.784 -6.099 1.00 0.00 N ATOM 1053 CA THR A 66 7.004 -6.386 -6.152 1.00 0.00 C ATOM 1054 C THR A 66 6.484 -6.047 -4.759 1.00 0.00 C ATOM 1055 O THR A 66 5.665 -5.145 -4.593 1.00 0.00 O ATOM 1056 CB THR A 66 6.151 -7.500 -6.785 1.00 0.00 C ATOM 1057 OG1 THR A 66 6.762 -7.920 -8.014 1.00 0.00 O ATOM 1058 CG2 THR A 66 4.734 -7.022 -7.062 1.00 0.00 C ATOM 0 H THR A 66 8.557 -7.781 -6.244 1.00 0.00 H new ATOM 0 HA THR A 66 6.928 -5.493 -6.772 1.00 0.00 H new ATOM 0 HB THR A 66 6.097 -8.333 -6.084 1.00 0.00 H new ATOM 0 HG1 THR A 66 6.078 -7.987 -8.713 1.00 0.00 H new ATOM 0 HG21 THR A 66 4.158 -7.832 -7.509 1.00 0.00 H new ATOM 0 HG22 THR A 66 4.264 -6.715 -6.128 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.763 -6.176 -7.749 1.00 0.00 H new ATOM 1066 N ALA A 67 6.991 -6.758 -3.758 1.00 0.00 N ATOM 1067 CA ALA A 67 6.584 -6.542 -2.374 1.00 0.00 C ATOM 1068 C ALA A 67 6.926 -5.130 -1.909 1.00 0.00 C ATOM 1069 O ALA A 67 6.081 -4.431 -1.343 1.00 0.00 O ATOM 1070 CB ALA A 67 7.239 -7.567 -1.464 1.00 0.00 C ATOM 0 H ALA A 67 7.688 -7.493 -3.880 1.00 0.00 H new ATOM 0 HA ALA A 67 5.502 -6.661 -2.322 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.926 -7.393 -0.435 1.00 0.00 H new ATOM 0 HB2 ALA A 67 6.939 -8.569 -1.770 1.00 0.00 H new ATOM 0 HB3 ALA A 67 8.323 -7.475 -1.534 1.00 0.00 H new ATOM 1076 N SER A 68 8.159 -4.708 -2.159 1.00 0.00 N ATOM 1077 CA SER A 68 8.603 -3.383 -1.754 1.00 0.00 C ATOM 1078 C SER A 68 7.888 -2.297 -2.555 1.00 0.00 C ATOM 1079 O SER A 68 7.600 -1.217 -2.039 1.00 0.00 O ATOM 1080 CB SER A 68 10.121 -3.269 -1.910 1.00 0.00 C ATOM 1081 OG SER A 68 10.542 -3.742 -3.179 1.00 0.00 O ATOM 0 H SER A 68 8.867 -5.264 -2.639 1.00 0.00 H new ATOM 0 HA SER A 68 8.349 -3.238 -0.704 1.00 0.00 H new ATOM 0 HB2 SER A 68 10.425 -2.230 -1.787 1.00 0.00 H new ATOM 0 HB3 SER A 68 10.614 -3.841 -1.124 1.00 0.00 H new ATOM 0 HG SER A 68 10.577 -4.721 -3.168 1.00 0.00 H new ATOM 1087 N ARG A 69 7.583 -2.598 -3.812 1.00 0.00 N ATOM 1088 CA ARG A 69 6.853 -1.673 -4.660 1.00 0.00 C ATOM 1089 C ARG A 69 5.392 -1.584 -4.233 1.00 0.00 C ATOM 1090 O ARG A 69 4.770 -0.526 -4.335 1.00 0.00 O ATOM 1091 CB ARG A 69 6.963 -2.102 -6.122 1.00 0.00 C ATOM 1092 CG ARG A 69 8.326 -1.822 -6.728 1.00 0.00 C ATOM 1093 CD ARG A 69 8.410 -2.275 -8.175 1.00 0.00 C ATOM 1094 NE ARG A 69 9.677 -1.886 -8.792 1.00 0.00 N ATOM 1095 CZ ARG A 69 10.215 -2.489 -9.851 1.00 0.00 C ATOM 1096 NH1 ARG A 69 9.610 -3.528 -10.416 1.00 0.00 N ATOM 1097 NH2 ARG A 69 11.369 -2.055 -10.340 1.00 0.00 N ATOM 0 H ARG A 69 7.832 -3.478 -4.264 1.00 0.00 H new ATOM 0 HA ARG A 69 7.295 -0.682 -4.553 1.00 0.00 H new ATOM 0 HB2 ARG A 69 6.752 -3.169 -6.197 1.00 0.00 H new ATOM 0 HB3 ARG A 69 6.201 -1.584 -6.704 1.00 0.00 H new ATOM 0 HG2 ARG A 69 8.536 -0.754 -6.670 1.00 0.00 H new ATOM 0 HG3 ARG A 69 9.094 -2.330 -6.144 1.00 0.00 H new ATOM 0 HD2 ARG A 69 8.299 -3.358 -8.224 1.00 0.00 H new ATOM 0 HD3 ARG A 69 7.583 -1.844 -8.740 1.00 0.00 H new ATOM 0 HE ARG A 69 10.183 -1.100 -8.384 1.00 0.00 H new ATOM 0 HH11 ARG A 69 8.726 -3.870 -10.039 1.00 0.00 H new ATOM 0 HH12 ARG A 69 10.029 -3.983 -11.227 1.00 0.00 H new ATOM 0 HH21 ARG A 69 11.841 -1.262 -9.905 1.00 0.00 H new ATOM 0 HH22 ARG A 69 11.784 -2.514 -11.151 1.00 0.00 H new ATOM 1111 N LEU A 70 4.851 -2.696 -3.745 1.00 0.00 N ATOM 1112 CA LEU A 70 3.491 -2.723 -3.225 1.00 0.00 C ATOM 1113 C LEU A 70 3.393 -1.862 -1.972 1.00 0.00 C ATOM 1114 O LEU A 70 2.373 -1.214 -1.729 1.00 0.00 O ATOM 1115 CB LEU A 70 3.058 -4.157 -2.906 1.00 0.00 C ATOM 1116 CG LEU A 70 1.641 -4.297 -2.342 1.00 0.00 C ATOM 1117 CD1 LEU A 70 0.609 -3.828 -3.357 1.00 0.00 C ATOM 1118 CD2 LEU A 70 1.373 -5.733 -1.927 1.00 0.00 C ATOM 0 H LEU A 70 5.336 -3.592 -3.699 1.00 0.00 H new ATOM 0 HA LEU A 70 2.825 -2.323 -3.990 1.00 0.00 H new ATOM 0 HB2 LEU A 70 3.131 -4.753 -3.816 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.761 -4.582 -2.190 1.00 0.00 H new ATOM 0 HG LEU A 70 1.559 -3.664 -1.458 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.391 -3.936 -2.936 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.789 -2.781 -3.601 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.689 -4.431 -4.262 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.362 -5.814 -1.529 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.475 -6.387 -2.793 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.089 -6.030 -1.161 1.00 0.00 H new ATOM 1130 N ARG A 71 4.464 -1.853 -1.184 1.00 0.00 N ATOM 1131 CA ARG A 71 4.530 -1.003 -0.002 1.00 0.00 C ATOM 1132 C ARG A 71 4.348 0.450 -0.409 1.00 0.00 C ATOM 1133 O ARG A 71 3.680 1.216 0.277 1.00 0.00 O ATOM 1134 CB ARG A 71 5.871 -1.159 0.718 1.00 0.00 C ATOM 1135 CG ARG A 71 5.872 -0.589 2.129 1.00 0.00 C ATOM 1136 CD ARG A 71 7.284 -0.356 2.647 1.00 0.00 C ATOM 1137 NE ARG A 71 7.794 0.966 2.276 1.00 0.00 N ATOM 1138 CZ ARG A 71 9.084 1.255 2.110 1.00 0.00 C ATOM 1139 NH1 ARG A 71 10.006 0.307 2.209 1.00 0.00 N ATOM 1140 NH2 ARG A 71 9.446 2.501 1.840 1.00 0.00 N ATOM 0 H ARG A 71 5.295 -2.423 -1.343 1.00 0.00 H new ATOM 0 HA ARG A 71 3.734 -1.306 0.678 1.00 0.00 H new ATOM 0 HB2 ARG A 71 6.130 -2.217 0.762 1.00 0.00 H new ATOM 0 HB3 ARG A 71 6.648 -0.665 0.134 1.00 0.00 H new ATOM 0 HG2 ARG A 71 5.321 0.352 2.141 1.00 0.00 H new ATOM 0 HG3 ARG A 71 5.349 -1.273 2.797 1.00 0.00 H new ATOM 0 HD2 ARG A 71 7.293 -0.456 3.732 1.00 0.00 H new ATOM 0 HD3 ARG A 71 7.947 -1.125 2.250 1.00 0.00 H new ATOM 0 HE ARG A 71 7.116 1.715 2.135 1.00 0.00 H new ATOM 0 HH11 ARG A 71 9.730 -0.653 2.414 1.00 0.00 H new ATOM 0 HH12 ARG A 71 10.991 0.538 2.080 1.00 0.00 H new ATOM 0 HH21 ARG A 71 8.739 3.232 1.761 1.00 0.00 H new ATOM 0 HH22 ARG A 71 10.432 2.729 1.712 1.00 0.00 H new ATOM 1154 N GLY A 72 4.934 0.805 -1.551 1.00 0.00 N ATOM 1155 CA GLY A 72 4.834 2.159 -2.064 1.00 0.00 C ATOM 1156 C GLY A 72 3.406 2.562 -2.362 1.00 0.00 C ATOM 1157 O GLY A 72 3.046 3.735 -2.229 1.00 0.00 O ATOM 0 H GLY A 72 5.481 0.171 -2.134 1.00 0.00 H new ATOM 0 HA2 GLY A 72 5.260 2.852 -1.338 1.00 0.00 H new ATOM 0 HA3 GLY A 72 5.429 2.245 -2.973 1.00 0.00 H new ATOM 1161 N ARG A 73 2.589 1.592 -2.765 1.00 0.00 N ATOM 1162 CA ARG A 73 1.173 1.843 -3.006 1.00 0.00 C ATOM 1163 C ARG A 73 0.475 2.187 -1.699 1.00 0.00 C ATOM 1164 O ARG A 73 -0.173 3.225 -1.582 1.00 0.00 O ATOM 1165 CB ARG A 73 0.488 0.615 -3.622 1.00 0.00 C ATOM 1166 CG ARG A 73 0.547 0.524 -5.138 1.00 0.00 C ATOM 1167 CD ARG A 73 1.941 0.222 -5.656 1.00 0.00 C ATOM 1168 NE ARG A 73 1.906 -0.201 -7.056 1.00 0.00 N ATOM 1169 CZ ARG A 73 2.716 0.268 -8.001 1.00 0.00 C ATOM 1170 NH1 ARG A 73 3.632 1.185 -7.709 1.00 0.00 N ATOM 1171 NH2 ARG A 73 2.603 -0.181 -9.243 1.00 0.00 N ATOM 0 H ARG A 73 2.883 0.629 -2.931 1.00 0.00 H new ATOM 0 HA ARG A 73 1.099 2.678 -3.703 1.00 0.00 H new ATOM 0 HB2 ARG A 73 0.945 -0.282 -3.204 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -0.558 0.613 -3.316 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -0.138 -0.253 -5.478 1.00 0.00 H new ATOM 0 HG3 ARG A 73 0.201 1.464 -5.567 1.00 0.00 H new ATOM 0 HD2 ARG A 73 2.568 1.108 -5.557 1.00 0.00 H new ATOM 0 HD3 ARG A 73 2.396 -0.560 -5.048 1.00 0.00 H new ATOM 0 HE ARG A 73 1.215 -0.902 -7.325 1.00 0.00 H new ATOM 0 HH11 ARG A 73 3.718 1.534 -6.755 1.00 0.00 H new ATOM 0 HH12 ARG A 73 4.249 1.540 -8.439 1.00 0.00 H new ATOM 0 HH21 ARG A 73 1.898 -0.882 -9.470 1.00 0.00 H new ATOM 0 HH22 ARG A 73 3.221 0.175 -9.972 1.00 0.00 H new ATOM 1185 N ILE A 74 0.661 1.333 -0.702 1.00 0.00 N ATOM 1186 CA ILE A 74 -0.002 1.493 0.587 1.00 0.00 C ATOM 1187 C ILE A 74 0.521 2.733 1.306 1.00 0.00 C ATOM 1188 O ILE A 74 -0.237 3.486 1.916 1.00 0.00 O ATOM 1189 CB ILE A 74 0.218 0.250 1.479 1.00 0.00 C ATOM 1190 CG1 ILE A 74 -0.175 -1.022 0.720 1.00 0.00 C ATOM 1191 CG2 ILE A 74 -0.581 0.366 2.771 1.00 0.00 C ATOM 1192 CD1 ILE A 74 0.125 -2.301 1.474 1.00 0.00 C ATOM 0 H ILE A 74 1.270 0.517 -0.761 1.00 0.00 H new ATOM 0 HA ILE A 74 -1.070 1.608 0.400 1.00 0.00 H new ATOM 0 HB ILE A 74 1.276 0.192 1.736 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -1.241 -0.985 0.495 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.351 -1.042 -0.234 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -0.412 -0.519 3.384 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -0.261 1.253 3.318 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.642 0.447 2.536 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -0.181 -3.158 0.873 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.194 -2.362 1.676 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -0.423 -2.305 2.416 1.00 0.00 H new ATOM 1204 N GLU A 75 1.825 2.942 1.198 1.00 0.00 N ATOM 1205 CA GLU A 75 2.502 4.060 1.839 1.00 0.00 C ATOM 1206 C GLU A 75 1.911 5.394 1.388 1.00 0.00 C ATOM 1207 O GLU A 75 1.593 6.248 2.214 1.00 0.00 O ATOM 1208 CB GLU A 75 3.990 3.997 1.494 1.00 0.00 C ATOM 1209 CG GLU A 75 4.872 4.895 2.337 1.00 0.00 C ATOM 1210 CD GLU A 75 6.334 4.766 1.964 1.00 0.00 C ATOM 1211 OE1 GLU A 75 6.843 3.625 1.905 1.00 0.00 O ATOM 1212 OE2 GLU A 75 6.988 5.804 1.734 1.00 0.00 O ATOM 0 H GLU A 75 2.446 2.338 0.660 1.00 0.00 H new ATOM 0 HA GLU A 75 2.366 3.988 2.918 1.00 0.00 H new ATOM 0 HB2 GLU A 75 4.332 2.968 1.604 1.00 0.00 H new ATOM 0 HB3 GLU A 75 4.118 4.265 0.445 1.00 0.00 H new ATOM 0 HG2 GLU A 75 4.557 5.931 2.215 1.00 0.00 H new ATOM 0 HG3 GLU A 75 4.743 4.645 3.390 1.00 0.00 H new ATOM 1219 N SER A 76 1.735 5.555 0.082 1.00 0.00 N ATOM 1220 CA SER A 76 1.237 6.808 -0.470 1.00 0.00 C ATOM 1221 C SER A 76 -0.266 6.953 -0.229 1.00 0.00 C ATOM 1222 O SER A 76 -0.766 8.060 -0.035 1.00 0.00 O ATOM 1223 CB SER A 76 1.553 6.905 -1.962 1.00 0.00 C ATOM 1224 OG SER A 76 1.301 8.210 -2.461 1.00 0.00 O ATOM 0 H SER A 76 1.930 4.834 -0.613 1.00 0.00 H new ATOM 0 HA SER A 76 1.743 7.626 0.043 1.00 0.00 H new ATOM 0 HB2 SER A 76 2.598 6.644 -2.132 1.00 0.00 H new ATOM 0 HB3 SER A 76 0.950 6.181 -2.511 1.00 0.00 H new ATOM 0 HG SER A 76 0.770 8.149 -3.283 1.00 0.00 H new ATOM 1230 N VAL A 77 -0.986 5.834 -0.222 1.00 0.00 N ATOM 1231 CA VAL A 77 -2.420 5.864 0.046 1.00 0.00 C ATOM 1232 C VAL A 77 -2.686 6.274 1.493 1.00 0.00 C ATOM 1233 O VAL A 77 -3.547 7.113 1.760 1.00 0.00 O ATOM 1234 CB VAL A 77 -3.093 4.505 -0.256 1.00 0.00 C ATOM 1235 CG1 VAL A 77 -4.543 4.498 0.209 1.00 0.00 C ATOM 1236 CG2 VAL A 77 -3.018 4.200 -1.744 1.00 0.00 C ATOM 0 H VAL A 77 -0.604 4.904 -0.397 1.00 0.00 H new ATOM 0 HA VAL A 77 -2.859 6.605 -0.622 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.556 3.731 0.293 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.992 3.531 -0.016 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.581 4.675 1.284 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.095 5.283 -0.308 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.495 3.241 -1.943 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -3.531 4.983 -2.302 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.974 4.157 -2.054 1.00 0.00 H new ATOM 1246 N LEU A 78 -1.929 5.700 2.423 1.00 0.00 N ATOM 1247 CA LEU A 78 -2.043 6.067 3.831 1.00 0.00 C ATOM 1248 C LEU A 78 -1.570 7.502 4.045 1.00 0.00 C ATOM 1249 O LEU A 78 -2.097 8.220 4.895 1.00 0.00 O ATOM 1250 CB LEU A 78 -1.228 5.110 4.703 1.00 0.00 C ATOM 1251 CG LEU A 78 -1.682 3.648 4.669 1.00 0.00 C ATOM 1252 CD1 LEU A 78 -0.761 2.787 5.514 1.00 0.00 C ATOM 1253 CD2 LEU A 78 -3.115 3.522 5.158 1.00 0.00 C ATOM 0 H LEU A 78 -1.232 4.981 2.228 1.00 0.00 H new ATOM 0 HA LEU A 78 -3.091 5.995 4.121 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.185 5.157 4.389 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.267 5.462 5.734 1.00 0.00 H new ATOM 0 HG LEU A 78 -1.636 3.299 3.637 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.098 1.751 5.479 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.255 2.852 5.125 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.778 3.139 6.545 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -3.420 2.476 5.126 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.184 3.889 6.182 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.771 4.110 4.517 1.00 0.00 H new ATOM 1265 N ASP A 79 -0.575 7.911 3.265 1.00 0.00 N ATOM 1266 CA ASP A 79 -0.083 9.288 3.284 1.00 0.00 C ATOM 1267 C ASP A 79 -1.208 10.245 2.894 1.00 0.00 C ATOM 1268 O ASP A 79 -1.451 11.255 3.557 1.00 0.00 O ATOM 1269 CB ASP A 79 1.094 9.421 2.310 1.00 0.00 C ATOM 1270 CG ASP A 79 1.686 10.815 2.262 1.00 0.00 C ATOM 1271 OD1 ASP A 79 1.131 11.677 1.551 1.00 0.00 O ATOM 1272 OD2 ASP A 79 2.738 11.039 2.900 1.00 0.00 O ATOM 0 H ASP A 79 -0.088 7.304 2.605 1.00 0.00 H new ATOM 0 HA ASP A 79 0.256 9.542 4.288 1.00 0.00 H new ATOM 0 HB2 ASP A 79 1.873 8.714 2.596 1.00 0.00 H new ATOM 0 HB3 ASP A 79 0.761 9.142 1.310 1.00 0.00 H new ATOM 1277 N TRP A 80 -1.902 9.895 1.819 1.00 0.00 N ATOM 1278 CA TRP A 80 -3.045 10.657 1.341 1.00 0.00 C ATOM 1279 C TRP A 80 -4.169 10.657 2.374 1.00 0.00 C ATOM 1280 O TRP A 80 -4.747 11.704 2.681 1.00 0.00 O ATOM 1281 CB TRP A 80 -3.527 10.058 0.017 1.00 0.00 C ATOM 1282 CG TRP A 80 -4.775 10.681 -0.531 1.00 0.00 C ATOM 1283 CD1 TRP A 80 -4.871 11.851 -1.225 1.00 0.00 C ATOM 1284 CD2 TRP A 80 -6.101 10.152 -0.447 1.00 0.00 C ATOM 1285 NE1 TRP A 80 -6.181 12.085 -1.569 1.00 0.00 N ATOM 1286 CE2 TRP A 80 -6.954 11.057 -1.104 1.00 0.00 C ATOM 1287 CE3 TRP A 80 -6.654 9.003 0.124 1.00 0.00 C ATOM 1288 CZ2 TRP A 80 -8.324 10.847 -1.208 1.00 0.00 C ATOM 1289 CZ3 TRP A 80 -8.013 8.796 0.020 1.00 0.00 C ATOM 1290 CH2 TRP A 80 -8.836 9.713 -0.642 1.00 0.00 C ATOM 0 H TRP A 80 -1.687 9.073 1.254 1.00 0.00 H new ATOM 0 HA TRP A 80 -2.745 11.693 1.182 1.00 0.00 H new ATOM 0 HB2 TRP A 80 -2.732 10.157 -0.722 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -3.701 8.991 0.158 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -4.041 12.498 -1.468 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -6.522 12.895 -2.087 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -6.027 8.289 0.638 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -8.961 11.554 -1.718 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -8.450 7.910 0.457 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -9.897 9.521 -0.707 1.00 0.00 H new ATOM 1301 N ALA A 81 -4.457 9.481 2.923 1.00 0.00 N ATOM 1302 CA ALA A 81 -5.520 9.321 3.904 1.00 0.00 C ATOM 1303 C ALA A 81 -5.262 10.152 5.153 1.00 0.00 C ATOM 1304 O ALA A 81 -6.196 10.676 5.757 1.00 0.00 O ATOM 1305 CB ALA A 81 -5.676 7.855 4.269 1.00 0.00 C ATOM 0 H ALA A 81 -3.962 8.617 2.701 1.00 0.00 H new ATOM 0 HA ALA A 81 -6.446 9.680 3.455 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -6.474 7.746 5.004 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -5.924 7.282 3.376 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -4.742 7.483 4.690 1.00 0.00 H new ATOM 1311 N THR A 82 -3.997 10.273 5.528 1.00 0.00 N ATOM 1312 CA THR A 82 -3.614 11.050 6.699 1.00 0.00 C ATOM 1313 C THR A 82 -3.986 12.525 6.526 1.00 0.00 C ATOM 1314 O THR A 82 -4.526 13.150 7.439 1.00 0.00 O ATOM 1315 CB THR A 82 -2.101 10.926 6.971 1.00 0.00 C ATOM 1316 OG1 THR A 82 -1.755 9.551 7.184 1.00 0.00 O ATOM 1317 CG2 THR A 82 -1.694 11.751 8.183 1.00 0.00 C ATOM 0 H THR A 82 -3.215 9.841 5.036 1.00 0.00 H new ATOM 0 HA THR A 82 -4.161 10.648 7.552 1.00 0.00 H new ATOM 0 HB THR A 82 -1.566 11.307 6.101 1.00 0.00 H new ATOM 0 HG1 THR A 82 -2.097 9.009 6.443 1.00 0.00 H new ATOM 0 HG21 THR A 82 -0.622 11.645 8.352 1.00 0.00 H new ATOM 0 HG22 THR A 82 -1.932 12.800 8.006 1.00 0.00 H new ATOM 0 HG23 THR A 82 -2.236 11.400 9.061 1.00 0.00 H new ATOM 1325 N VAL A 83 -3.720 13.062 5.340 1.00 0.00 N ATOM 1326 CA VAL A 83 -3.991 14.467 5.055 1.00 0.00 C ATOM 1327 C VAL A 83 -5.492 14.710 4.914 1.00 0.00 C ATOM 1328 O VAL A 83 -6.018 15.714 5.394 1.00 0.00 O ATOM 1329 CB VAL A 83 -3.267 14.936 3.773 1.00 0.00 C ATOM 1330 CG1 VAL A 83 -3.460 16.429 3.562 1.00 0.00 C ATOM 1331 CG2 VAL A 83 -1.786 14.599 3.841 1.00 0.00 C ATOM 0 H VAL A 83 -3.316 12.545 4.559 1.00 0.00 H new ATOM 0 HA VAL A 83 -3.611 15.046 5.896 1.00 0.00 H new ATOM 0 HB VAL A 83 -3.704 14.409 2.925 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -2.942 16.738 2.654 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -4.523 16.648 3.466 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -3.053 16.973 4.415 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -1.294 14.937 2.929 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -1.339 15.097 4.701 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -1.662 13.521 3.941 1.00 0.00 H new ATOM 1341 N ARG A 84 -6.179 13.780 4.258 1.00 0.00 N ATOM 1342 CA ARG A 84 -7.621 13.858 4.091 1.00 0.00 C ATOM 1343 C ARG A 84 -8.362 13.573 5.395 1.00 0.00 C ATOM 1344 O ARG A 84 -9.574 13.762 5.482 1.00 0.00 O ATOM 1345 CB ARG A 84 -8.055 12.893 2.995 1.00 0.00 C ATOM 1346 CG ARG A 84 -8.278 13.552 1.640 1.00 0.00 C ATOM 1347 CD ARG A 84 -7.154 14.510 1.251 1.00 0.00 C ATOM 1348 NE ARG A 84 -7.288 15.809 1.916 1.00 0.00 N ATOM 1349 CZ ARG A 84 -6.518 16.869 1.671 1.00 0.00 C ATOM 1350 NH1 ARG A 84 -5.581 16.821 0.731 1.00 0.00 N ATOM 1351 NH2 ARG A 84 -6.704 17.992 2.352 1.00 0.00 N ATOM 0 H ARG A 84 -5.753 12.958 3.831 1.00 0.00 H new ATOM 0 HA ARG A 84 -7.879 14.876 3.800 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -7.298 12.116 2.889 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -8.977 12.400 3.304 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -8.370 12.779 0.877 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -9.222 14.096 1.658 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -6.193 14.067 1.511 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -7.157 14.653 0.170 1.00 0.00 H new ATOM 0 HE ARG A 84 -8.023 15.909 2.616 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -5.446 15.968 0.189 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -4.997 17.638 0.551 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -7.435 18.043 3.061 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -6.116 18.804 2.166 1.00 0.00 H new ATOM 1365 N GLY A 85 -7.639 13.101 6.397 1.00 0.00 N ATOM 1366 CA GLY A 85 -8.213 12.960 7.717 1.00 0.00 C ATOM 1367 C GLY A 85 -8.900 11.629 7.946 1.00 0.00 C ATOM 1368 O GLY A 85 -9.638 11.476 8.921 1.00 0.00 O ATOM 0 H GLY A 85 -6.664 12.813 6.320 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -7.426 13.085 8.461 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -8.933 13.762 7.878 1.00 0.00 H new ATOM 1372 N TYR A 86 -8.663 10.661 7.065 1.00 0.00 N ATOM 1373 CA TYR A 86 -9.243 9.331 7.230 1.00 0.00 C ATOM 1374 C TYR A 86 -8.613 8.635 8.427 1.00 0.00 C ATOM 1375 O TYR A 86 -9.255 7.839 9.116 1.00 0.00 O ATOM 1376 CB TYR A 86 -9.057 8.491 5.965 1.00 0.00 C ATOM 1377 CG TYR A 86 -9.934 8.930 4.817 1.00 0.00 C ATOM 1378 CD1 TYR A 86 -11.298 8.678 4.836 1.00 0.00 C ATOM 1379 CD2 TYR A 86 -9.403 9.593 3.719 1.00 0.00 C ATOM 1380 CE1 TYR A 86 -12.110 9.073 3.793 1.00 0.00 C ATOM 1381 CE2 TYR A 86 -10.211 9.991 2.670 1.00 0.00 C ATOM 1382 CZ TYR A 86 -11.563 9.727 2.715 1.00 0.00 C ATOM 1383 OH TYR A 86 -12.374 10.116 1.673 1.00 0.00 O ATOM 0 H TYR A 86 -8.079 10.770 6.236 1.00 0.00 H new ATOM 0 HA TYR A 86 -10.313 9.441 7.406 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -8.013 8.542 5.655 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -9.270 7.447 6.197 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -11.731 8.164 5.681 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -8.344 9.801 3.684 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -13.170 8.869 3.823 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -9.786 10.505 1.821 1.00 0.00 H new ATOM 0 HH TYR A 86 -11.835 10.567 0.990 1.00 0.00 H new ATOM 1393 N ARG A 87 -7.350 8.943 8.661 1.00 0.00 N ATOM 1394 CA ARG A 87 -6.661 8.528 9.867 1.00 0.00 C ATOM 1395 C ARG A 87 -5.606 9.572 10.189 1.00 0.00 C ATOM 1396 O ARG A 87 -5.138 10.275 9.293 1.00 0.00 O ATOM 1397 CB ARG A 87 -6.029 7.137 9.704 1.00 0.00 C ATOM 1398 CG ARG A 87 -4.709 7.121 8.949 1.00 0.00 C ATOM 1399 CD ARG A 87 -4.235 5.698 8.670 1.00 0.00 C ATOM 1400 NE ARG A 87 -4.421 4.803 9.818 1.00 0.00 N ATOM 1401 CZ ARG A 87 -3.427 4.309 10.560 1.00 0.00 C ATOM 1402 NH1 ARG A 87 -2.176 4.698 10.354 1.00 0.00 N ATOM 1403 NH2 ARG A 87 -3.692 3.432 11.523 1.00 0.00 N ATOM 0 H ARG A 87 -6.774 9.488 8.019 1.00 0.00 H new ATOM 0 HA ARG A 87 -7.374 8.451 10.688 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -5.871 6.707 10.693 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -6.736 6.491 9.185 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -4.822 7.658 8.007 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -3.952 7.650 9.528 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -4.778 5.300 7.813 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -3.180 5.718 8.397 1.00 0.00 H new ATOM 0 HE ARG A 87 -5.375 4.540 10.066 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -1.967 5.379 9.624 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -1.422 4.316 10.925 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -4.653 3.137 11.694 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -2.934 3.054 12.091 1.00 0.00 H new ATOM 1417 N GLU A 88 -5.267 9.701 11.455 1.00 0.00 N ATOM 1418 CA GLU A 88 -4.282 10.689 11.869 1.00 0.00 C ATOM 1419 C GLU A 88 -2.864 10.221 11.547 1.00 0.00 C ATOM 1420 O GLU A 88 -2.670 9.106 11.059 1.00 0.00 O ATOM 1421 CB GLU A 88 -4.447 11.016 13.354 1.00 0.00 C ATOM 1422 CG GLU A 88 -5.767 11.711 13.656 1.00 0.00 C ATOM 1423 CD GLU A 88 -5.886 12.167 15.093 1.00 0.00 C ATOM 1424 OE1 GLU A 88 -5.480 13.310 15.394 1.00 0.00 O ATOM 1425 OE2 GLU A 88 -6.387 11.384 15.931 1.00 0.00 O ATOM 0 H GLU A 88 -5.654 9.140 12.214 1.00 0.00 H new ATOM 0 HA GLU A 88 -4.453 11.605 11.304 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -4.384 10.095 13.934 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -3.623 11.653 13.676 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -5.875 12.573 12.998 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -6.588 11.031 13.428 1.00 0.00 H new ATOM 1432 N GLY A 89 -1.890 11.088 11.813 1.00 0.00 N ATOM 1433 CA GLY A 89 -0.516 10.854 11.391 1.00 0.00 C ATOM 1434 C GLY A 89 0.066 9.535 11.854 1.00 0.00 C ATOM 1435 O GLY A 89 0.510 9.404 12.996 1.00 0.00 O ATOM 0 H GLY A 89 -2.030 11.961 12.321 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -0.471 10.894 10.303 1.00 0.00 H new ATOM 0 HA3 GLY A 89 0.109 11.664 11.766 1.00 0.00 H new ATOM 1439 N ASP A 90 0.061 8.569 10.954 1.00 0.00 N ATOM 1440 CA ASP A 90 0.675 7.266 11.181 1.00 0.00 C ATOM 1441 C ASP A 90 0.720 6.484 9.877 1.00 0.00 C ATOM 1442 O ASP A 90 -0.245 6.491 9.108 1.00 0.00 O ATOM 1443 CB ASP A 90 -0.096 6.468 12.238 1.00 0.00 C ATOM 1444 CG ASP A 90 0.484 5.084 12.450 1.00 0.00 C ATOM 1445 OD1 ASP A 90 1.524 4.966 13.133 1.00 0.00 O ATOM 1446 OD2 ASP A 90 -0.093 4.106 11.925 1.00 0.00 O ATOM 0 H ASP A 90 -0.372 8.664 10.035 1.00 0.00 H new ATOM 0 HA ASP A 90 1.689 7.426 11.547 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -0.084 7.013 13.182 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -1.139 6.380 11.934 1.00 0.00 H new ATOM 1451 N ASN A 91 1.837 5.820 9.626 1.00 0.00 N ATOM 1452 CA ASN A 91 2.014 5.052 8.401 1.00 0.00 C ATOM 1453 C ASN A 91 2.633 3.693 8.713 1.00 0.00 C ATOM 1454 O ASN A 91 3.857 3.546 8.727 1.00 0.00 O ATOM 1455 CB ASN A 91 2.889 5.810 7.397 1.00 0.00 C ATOM 1456 CG ASN A 91 2.948 5.121 6.040 1.00 0.00 C ATOM 1457 OD1 ASN A 91 3.733 4.205 5.832 1.00 0.00 O ATOM 1458 ND2 ASN A 91 2.130 5.570 5.100 1.00 0.00 N ATOM 0 H ASN A 91 2.639 5.797 10.256 1.00 0.00 H new ATOM 0 HA ASN A 91 1.032 4.901 7.953 1.00 0.00 H new ATOM 0 HB2 ASN A 91 2.500 6.821 7.271 1.00 0.00 H new ATOM 0 HB3 ASN A 91 3.898 5.904 7.798 1.00 0.00 H new ATOM 0 HD21 ASN A 91 2.142 5.151 4.170 1.00 0.00 H new ATOM 0 HD22 ASN A 91 1.488 6.335 5.306 1.00 0.00 H new ATOM 1465 N PRO A 92 1.792 2.692 9.018 1.00 0.00 N ATOM 1466 CA PRO A 92 2.251 1.339 9.367 1.00 0.00 C ATOM 1467 C PRO A 92 2.891 0.598 8.190 1.00 0.00 C ATOM 1468 O PRO A 92 3.430 -0.495 8.357 1.00 0.00 O ATOM 1469 CB PRO A 92 0.963 0.627 9.804 1.00 0.00 C ATOM 1470 CG PRO A 92 -0.129 1.370 9.122 1.00 0.00 C ATOM 1471 CD PRO A 92 0.324 2.801 9.061 1.00 0.00 C ATOM 0 HA PRO A 92 3.028 1.368 10.131 1.00 0.00 H new ATOM 0 HB2 PRO A 92 0.971 -0.423 9.510 1.00 0.00 H new ATOM 0 HB3 PRO A 92 0.844 0.654 10.887 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -0.307 0.973 8.122 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -1.066 1.280 9.672 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -0.067 3.309 8.180 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -0.012 3.366 9.930 1.00 0.00 H new ATOM 1479 N ALA A 93 2.848 1.208 7.013 1.00 0.00 N ATOM 1480 CA ALA A 93 3.356 0.575 5.808 1.00 0.00 C ATOM 1481 C ALA A 93 4.856 0.793 5.651 1.00 0.00 C ATOM 1482 O ALA A 93 5.592 -0.142 5.364 1.00 0.00 O ATOM 1483 CB ALA A 93 2.615 1.099 4.586 1.00 0.00 C ATOM 0 H ALA A 93 2.465 2.142 6.869 1.00 0.00 H new ATOM 0 HA ALA A 93 3.184 -0.498 5.897 1.00 0.00 H new ATOM 0 HB1 ALA A 93 3.005 0.617 3.690 1.00 0.00 H new ATOM 0 HB2 ALA A 93 1.552 0.879 4.683 1.00 0.00 H new ATOM 0 HB3 ALA A 93 2.757 2.177 4.509 1.00 0.00 H new ATOM 1489 N ARG A 94 5.300 2.025 5.837 1.00 0.00 N ATOM 1490 CA ARG A 94 6.694 2.376 5.608 1.00 0.00 C ATOM 1491 C ARG A 94 7.602 1.802 6.691 1.00 0.00 C ATOM 1492 O ARG A 94 7.332 1.920 7.890 1.00 0.00 O ATOM 1493 CB ARG A 94 6.853 3.897 5.518 1.00 0.00 C ATOM 1494 CG ARG A 94 8.285 4.357 5.299 1.00 0.00 C ATOM 1495 CD ARG A 94 8.340 5.759 4.710 1.00 0.00 C ATOM 1496 NE ARG A 94 7.600 6.736 5.511 1.00 0.00 N ATOM 1497 CZ ARG A 94 6.765 7.638 4.995 1.00 0.00 C ATOM 1498 NH1 ARG A 94 6.495 7.629 3.695 1.00 0.00 N ATOM 1499 NH2 ARG A 94 6.177 8.527 5.787 1.00 0.00 N ATOM 0 H ARG A 94 4.715 2.801 6.147 1.00 0.00 H new ATOM 0 HA ARG A 94 6.998 1.935 4.659 1.00 0.00 H new ATOM 0 HB2 ARG A 94 6.234 4.269 4.702 1.00 0.00 H new ATOM 0 HB3 ARG A 94 6.474 4.347 6.436 1.00 0.00 H new ATOM 0 HG2 ARG A 94 8.822 4.339 6.247 1.00 0.00 H new ATOM 0 HG3 ARG A 94 8.793 3.661 4.631 1.00 0.00 H new ATOM 0 HD2 ARG A 94 9.380 6.074 4.629 1.00 0.00 H new ATOM 0 HD3 ARG A 94 7.933 5.741 3.699 1.00 0.00 H new ATOM 0 HE ARG A 94 7.731 6.726 6.523 1.00 0.00 H new ATOM 0 HH11 ARG A 94 6.927 6.931 3.089 1.00 0.00 H new ATOM 0 HH12 ARG A 94 5.856 8.320 3.302 1.00 0.00 H new ATOM 0 HH21 ARG A 94 6.364 8.519 6.790 1.00 0.00 H new ATOM 0 HH22 ARG A 94 5.538 9.217 5.393 1.00 0.00 H new ATOM 1513 N TRP A 95 8.678 1.181 6.242 1.00 0.00 N ATOM 1514 CA TRP A 95 9.676 0.590 7.120 1.00 0.00 C ATOM 1515 C TRP A 95 11.028 1.227 6.873 1.00 0.00 C ATOM 1516 O TRP A 95 11.321 1.650 5.756 1.00 0.00 O ATOM 1517 CB TRP A 95 9.784 -0.915 6.880 1.00 0.00 C ATOM 1518 CG TRP A 95 8.784 -1.718 7.645 1.00 0.00 C ATOM 1519 CD1 TRP A 95 8.751 -1.887 8.994 1.00 0.00 C ATOM 1520 CD2 TRP A 95 7.690 -2.474 7.116 1.00 0.00 C ATOM 1521 NE1 TRP A 95 7.707 -2.703 9.344 1.00 0.00 N ATOM 1522 CE2 TRP A 95 7.035 -3.073 8.208 1.00 0.00 C ATOM 1523 CE3 TRP A 95 7.200 -2.701 5.828 1.00 0.00 C ATOM 1524 CZ2 TRP A 95 5.916 -3.885 8.050 1.00 0.00 C ATOM 1525 CZ3 TRP A 95 6.089 -3.507 5.673 1.00 0.00 C ATOM 1526 CH2 TRP A 95 5.458 -4.089 6.778 1.00 0.00 C ATOM 0 H TRP A 95 8.887 1.071 5.250 1.00 0.00 H new ATOM 0 HA TRP A 95 9.367 0.767 8.150 1.00 0.00 H new ATOM 0 HB2 TRP A 95 9.659 -1.114 5.816 1.00 0.00 H new ATOM 0 HB3 TRP A 95 10.787 -1.246 7.151 1.00 0.00 H new ATOM 0 HD1 TRP A 95 9.447 -1.442 9.689 1.00 0.00 H new ATOM 0 HE1 TRP A 95 7.469 -2.988 10.294 1.00 0.00 H new ATOM 0 HE3 TRP A 95 7.680 -2.255 4.970 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 5.428 -4.337 8.900 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 5.701 -3.691 4.682 1.00 0.00 H new ATOM 0 HH2 TRP A 95 4.590 -4.713 6.623 1.00 0.00 H new ATOM 1537 N ARG A 96 11.843 1.304 7.912 1.00 0.00 N ATOM 1538 CA ARG A 96 13.199 1.780 7.773 1.00 0.00 C ATOM 1539 C ARG A 96 14.158 0.595 7.793 1.00 0.00 C ATOM 1540 O ARG A 96 15.219 0.622 7.172 1.00 0.00 O ATOM 1541 CB ARG A 96 13.542 2.769 8.894 1.00 0.00 C ATOM 1542 CG ARG A 96 13.878 2.115 10.226 1.00 0.00 C ATOM 1543 CD ARG A 96 14.272 3.146 11.270 1.00 0.00 C ATOM 1544 NE ARG A 96 14.953 2.535 12.411 1.00 0.00 N ATOM 1545 CZ ARG A 96 14.876 2.992 13.659 1.00 0.00 C ATOM 1546 NH1 ARG A 96 14.062 4.000 13.957 1.00 0.00 N ATOM 1547 NH2 ARG A 96 15.602 2.424 14.616 1.00 0.00 N ATOM 0 H ARG A 96 11.583 1.041 8.862 1.00 0.00 H new ATOM 0 HA ARG A 96 13.297 2.303 6.822 1.00 0.00 H new ATOM 0 HB2 ARG A 96 14.389 3.378 8.578 1.00 0.00 H new ATOM 0 HB3 ARG A 96 12.699 3.445 9.037 1.00 0.00 H new ATOM 0 HG2 ARG A 96 13.018 1.547 10.581 1.00 0.00 H new ATOM 0 HG3 ARG A 96 14.694 1.405 10.088 1.00 0.00 H new ATOM 0 HD2 ARG A 96 14.924 3.892 10.815 1.00 0.00 H new ATOM 0 HD3 ARG A 96 13.381 3.670 11.617 1.00 0.00 H new ATOM 0 HE ARG A 96 15.523 1.707 12.240 1.00 0.00 H new ATOM 0 HH11 ARG A 96 13.492 4.428 13.227 1.00 0.00 H new ATOM 0 HH12 ARG A 96 14.008 4.345 14.915 1.00 0.00 H new ATOM 0 HH21 ARG A 96 16.216 1.640 14.393 1.00 0.00 H new ATOM 0 HH22 ARG A 96 15.545 2.772 15.573 1.00 0.00 H new ATOM 1561 N GLY A 97 13.757 -0.459 8.494 1.00 0.00 N ATOM 1562 CA GLY A 97 14.598 -1.627 8.615 1.00 0.00 C ATOM 1563 C GLY A 97 13.817 -2.877 8.963 1.00 0.00 C ATOM 1564 O GLY A 97 14.095 -3.526 9.972 1.00 0.00 O ATOM 0 H GLY A 97 12.863 -0.522 8.980 1.00 0.00 H new ATOM 0 HA2 GLY A 97 15.130 -1.785 7.677 1.00 0.00 H new ATOM 0 HA3 GLY A 97 15.351 -1.449 9.382 1.00 0.00 H new ATOM 1568 N TYR A 98 12.825 -3.206 8.138 1.00 0.00 N ATOM 1569 CA TYR A 98 12.097 -4.463 8.295 1.00 0.00 C ATOM 1570 C TYR A 98 13.046 -5.627 8.033 1.00 0.00 C ATOM 1571 O TYR A 98 13.030 -6.637 8.734 1.00 0.00 O ATOM 1572 CB TYR A 98 10.909 -4.530 7.330 1.00 0.00 C ATOM 1573 CG TYR A 98 10.072 -5.785 7.481 1.00 0.00 C ATOM 1574 CD1 TYR A 98 9.197 -5.934 8.550 1.00 0.00 C ATOM 1575 CD2 TYR A 98 10.157 -6.819 6.556 1.00 0.00 C ATOM 1576 CE1 TYR A 98 8.431 -7.077 8.695 1.00 0.00 C ATOM 1577 CE2 TYR A 98 9.394 -7.965 6.693 1.00 0.00 C ATOM 1578 CZ TYR A 98 8.532 -8.089 7.765 1.00 0.00 C ATOM 1579 OH TYR A 98 7.770 -9.229 7.907 1.00 0.00 O ATOM 0 H TYR A 98 12.509 -2.626 7.361 1.00 0.00 H new ATOM 0 HA TYR A 98 11.711 -4.522 9.312 1.00 0.00 H new ATOM 0 HB2 TYR A 98 10.274 -3.659 7.489 1.00 0.00 H new ATOM 0 HB3 TYR A 98 11.280 -4.472 6.307 1.00 0.00 H new ATOM 0 HD1 TYR A 98 9.113 -5.143 9.281 1.00 0.00 H new ATOM 0 HD2 TYR A 98 10.830 -6.726 5.716 1.00 0.00 H new ATOM 0 HE1 TYR A 98 7.757 -7.176 9.533 1.00 0.00 H new ATOM 0 HE2 TYR A 98 9.472 -8.759 5.965 1.00 0.00 H new ATOM 0 HH TYR A 98 7.959 -9.843 7.167 1.00 0.00 H new ATOM 1589 N LEU A 99 13.873 -5.463 7.007 1.00 0.00 N ATOM 1590 CA LEU A 99 14.878 -6.452 6.659 1.00 0.00 C ATOM 1591 C LEU A 99 16.252 -5.992 7.137 1.00 0.00 C ATOM 1592 O LEU A 99 16.843 -6.595 8.035 1.00 0.00 O ATOM 1593 CB LEU A 99 14.894 -6.666 5.143 1.00 0.00 C ATOM 1594 CG LEU A 99 13.583 -7.181 4.541 1.00 0.00 C ATOM 1595 CD1 LEU A 99 13.683 -7.247 3.026 1.00 0.00 C ATOM 1596 CD2 LEU A 99 13.232 -8.549 5.109 1.00 0.00 C ATOM 0 H LEU A 99 13.864 -4.645 6.398 1.00 0.00 H new ATOM 0 HA LEU A 99 14.633 -7.395 7.148 1.00 0.00 H new ATOM 0 HB2 LEU A 99 15.149 -5.722 4.662 1.00 0.00 H new ATOM 0 HB3 LEU A 99 15.688 -7.372 4.901 1.00 0.00 H new ATOM 0 HG LEU A 99 12.788 -6.484 4.806 1.00 0.00 H new ATOM 0 HD11 LEU A 99 12.743 -7.615 2.615 1.00 0.00 H new ATOM 0 HD12 LEU A 99 13.887 -6.252 2.631 1.00 0.00 H new ATOM 0 HD13 LEU A 99 14.491 -7.922 2.744 1.00 0.00 H new ATOM 0 HD21 LEU A 99 12.298 -8.897 4.669 1.00 0.00 H new ATOM 0 HD22 LEU A 99 14.029 -9.255 4.875 1.00 0.00 H new ATOM 0 HD23 LEU A 99 13.118 -8.476 6.191 1.00 0.00 H new ATOM 1608 N GLU A 100 16.744 -4.912 6.538 1.00 0.00 N ATOM 1609 CA GLU A 100 18.035 -4.345 6.896 1.00 0.00 C ATOM 1610 C GLU A 100 18.172 -2.941 6.312 1.00 0.00 C ATOM 1611 O GLU A 100 17.601 -2.640 5.260 1.00 0.00 O ATOM 1612 CB GLU A 100 19.167 -5.239 6.376 1.00 0.00 C ATOM 1613 CG GLU A 100 20.560 -4.715 6.687 1.00 0.00 C ATOM 1614 CD GLU A 100 21.648 -5.542 6.042 1.00 0.00 C ATOM 1615 OE1 GLU A 100 21.762 -5.512 4.800 1.00 0.00 O ATOM 1616 OE2 GLU A 100 22.390 -6.233 6.767 1.00 0.00 O ATOM 0 H GLU A 100 16.260 -4.409 5.794 1.00 0.00 H new ATOM 0 HA GLU A 100 18.102 -4.285 7.982 1.00 0.00 H new ATOM 0 HB2 GLU A 100 19.059 -6.234 6.809 1.00 0.00 H new ATOM 0 HB3 GLU A 100 19.063 -5.348 5.296 1.00 0.00 H new ATOM 0 HG2 GLU A 100 20.641 -3.683 6.344 1.00 0.00 H new ATOM 0 HG3 GLU A 100 20.708 -4.705 7.767 1.00 0.00 H new ATOM 1623 N HIS A 101 18.895 -2.074 7.013 1.00 0.00 N ATOM 1624 CA HIS A 101 19.231 -0.757 6.480 1.00 0.00 C ATOM 1625 C HIS A 101 20.464 -0.867 5.576 1.00 0.00 C ATOM 1626 O HIS A 101 21.604 -0.859 6.038 1.00 0.00 O ATOM 1627 CB HIS A 101 19.445 0.278 7.611 1.00 0.00 C ATOM 1628 CG HIS A 101 20.632 0.027 8.504 1.00 0.00 C ATOM 1629 ND1 HIS A 101 20.990 -1.058 9.228 1.00 0.00 N flip ATOM 1630 CD2 HIS A 101 21.615 0.966 8.725 1.00 0.00 C flip ATOM 1631 CE1 HIS A 101 22.168 -0.758 9.864 1.00 0.00 C flip ATOM 1632 NE2 HIS A 101 22.521 0.470 9.542 1.00 0.00 N flip ATOM 0 H HIS A 101 19.259 -2.258 7.948 1.00 0.00 H new ATOM 0 HA HIS A 101 18.392 -0.398 5.884 1.00 0.00 H new ATOM 0 HB2 HIS A 101 19.553 1.265 7.161 1.00 0.00 H new ATOM 0 HB3 HIS A 101 18.547 0.306 8.229 1.00 0.00 H new ATOM 0 HD2 HIS A 101 21.639 1.956 8.295 1.00 0.00 H new ATOM 0 HE1 HIS A 101 22.715 -1.419 10.520 1.00 0.00 H new ATOM 0 HE2 HIS A 101 23.356 0.955 9.870 1.00 0.00 H new ATOM 1641 N HIS A 102 20.228 -1.012 4.283 1.00 0.00 N ATOM 1642 CA HIS A 102 21.310 -1.236 3.338 1.00 0.00 C ATOM 1643 C HIS A 102 21.233 -0.224 2.205 1.00 0.00 C ATOM 1644 O HIS A 102 20.182 -0.060 1.586 1.00 0.00 O ATOM 1645 CB HIS A 102 21.229 -2.662 2.785 1.00 0.00 C ATOM 1646 CG HIS A 102 22.542 -3.223 2.327 1.00 0.00 C ATOM 1647 ND1 HIS A 102 23.144 -4.297 2.941 1.00 0.00 N ATOM 1648 CD2 HIS A 102 23.360 -2.872 1.306 1.00 0.00 C ATOM 1649 CE1 HIS A 102 24.271 -4.583 2.323 1.00 0.00 C ATOM 1650 NE2 HIS A 102 24.430 -3.735 1.323 1.00 0.00 N ATOM 0 H HIS A 102 19.299 -0.979 3.864 1.00 0.00 H new ATOM 0 HA HIS A 102 22.264 -1.110 3.851 1.00 0.00 H new ATOM 0 HB2 HIS A 102 20.817 -3.315 3.555 1.00 0.00 H new ATOM 0 HB3 HIS A 102 20.530 -2.675 1.949 1.00 0.00 H new ATOM 0 HD1 HIS A 102 22.774 -4.795 3.751 1.00 0.00 H new ATOM 0 HD2 HIS A 102 23.201 -2.064 0.608 1.00 0.00 H new ATOM 0 HE1 HIS A 102 24.952 -5.378 2.589 1.00 0.00 H new ATOM 1659 N HIS A 103 22.339 0.457 1.946 1.00 0.00 N ATOM 1660 CA HIS A 103 22.386 1.475 0.904 1.00 0.00 C ATOM 1661 C HIS A 103 23.543 1.241 -0.056 1.00 0.00 C ATOM 1662 O HIS A 103 24.707 1.237 0.340 1.00 0.00 O ATOM 1663 CB HIS A 103 22.497 2.875 1.512 1.00 0.00 C ATOM 1664 CG HIS A 103 21.178 3.458 1.908 1.00 0.00 C ATOM 1665 ND1 HIS A 103 20.804 3.676 3.216 1.00 0.00 N ATOM 1666 CD2 HIS A 103 20.146 3.885 1.148 1.00 0.00 C ATOM 1667 CE1 HIS A 103 19.596 4.207 3.241 1.00 0.00 C ATOM 1668 NE2 HIS A 103 19.175 4.346 1.999 1.00 0.00 N ATOM 0 H HIS A 103 23.219 0.323 2.444 1.00 0.00 H new ATOM 0 HA HIS A 103 21.454 1.402 0.344 1.00 0.00 H new ATOM 0 HB2 HIS A 103 23.144 2.832 2.388 1.00 0.00 H new ATOM 0 HB3 HIS A 103 22.978 3.538 0.793 1.00 0.00 H new ATOM 0 HD2 HIS A 103 20.095 3.867 0.069 1.00 0.00 H new ATOM 0 HE1 HIS A 103 19.045 4.481 4.129 1.00 0.00 H new ATOM 0 HE2 HIS A 103 18.274 4.733 1.718 1.00 0.00 H new ATOM 1677 N HIS A 104 23.202 1.022 -1.316 1.00 0.00 N ATOM 1678 CA HIS A 104 24.185 0.911 -2.383 1.00 0.00 C ATOM 1679 C HIS A 104 23.654 1.590 -3.636 1.00 0.00 C ATOM 1680 O HIS A 104 22.547 1.294 -4.086 1.00 0.00 O ATOM 1681 CB HIS A 104 24.493 -0.558 -2.688 1.00 0.00 C ATOM 1682 CG HIS A 104 25.901 -0.967 -2.371 1.00 0.00 C ATOM 1683 ND1 HIS A 104 26.798 -1.393 -3.330 1.00 0.00 N ATOM 1684 CD2 HIS A 104 26.558 -1.041 -1.190 1.00 0.00 C ATOM 1685 CE1 HIS A 104 27.939 -1.712 -2.751 1.00 0.00 C ATOM 1686 NE2 HIS A 104 27.820 -1.508 -1.454 1.00 0.00 N ATOM 0 H HIS A 104 22.237 0.916 -1.628 1.00 0.00 H new ATOM 0 HA HIS A 104 25.105 1.398 -2.059 1.00 0.00 H new ATOM 0 HB2 HIS A 104 23.807 -1.187 -2.121 1.00 0.00 H new ATOM 0 HB3 HIS A 104 24.300 -0.747 -3.744 1.00 0.00 H new ATOM 0 HD1 HIS A 104 26.608 -1.452 -4.330 1.00 0.00 H new ATOM 0 HD2 HIS A 104 26.162 -0.781 -0.220 1.00 0.00 H new ATOM 0 HE1 HIS A 104 28.822 -2.078 -3.254 1.00 0.00 H new ATOM 1695 N HIS A 105 24.424 2.516 -4.192 1.00 0.00 N ATOM 1696 CA HIS A 105 24.024 3.159 -5.440 1.00 0.00 C ATOM 1697 C HIS A 105 24.403 2.268 -6.614 1.00 0.00 C ATOM 1698 O HIS A 105 23.798 2.336 -7.685 1.00 0.00 O ATOM 1699 CB HIS A 105 24.628 4.570 -5.592 1.00 0.00 C ATOM 1700 CG HIS A 105 26.132 4.643 -5.584 1.00 0.00 C ATOM 1701 ND1 HIS A 105 26.843 5.238 -4.568 1.00 0.00 N ATOM 1702 CD2 HIS A 105 27.054 4.226 -6.487 1.00 0.00 C ATOM 1703 CE1 HIS A 105 28.132 5.185 -4.842 1.00 0.00 C ATOM 1704 NE2 HIS A 105 28.289 4.576 -6.001 1.00 0.00 N ATOM 0 H HIS A 105 25.314 2.836 -3.809 1.00 0.00 H new ATOM 0 HA HIS A 105 22.942 3.290 -5.422 1.00 0.00 H new ATOM 0 HB2 HIS A 105 24.267 5.001 -6.526 1.00 0.00 H new ATOM 0 HB3 HIS A 105 24.248 5.196 -4.785 1.00 0.00 H new ATOM 0 HD2 HIS A 105 26.854 3.714 -7.416 1.00 0.00 H new ATOM 0 HE1 HIS A 105 28.925 5.575 -4.222 1.00 0.00 H new ATOM 0 HE2 HIS A 105 29.181 4.395 -6.461 1.00 0.00 H new ATOM 1713 N HIS A 106 25.402 1.429 -6.382 1.00 0.00 N ATOM 1714 CA HIS A 106 25.846 0.444 -7.353 1.00 0.00 C ATOM 1715 C HIS A 106 26.902 -0.438 -6.706 1.00 0.00 C ATOM 1716 O HIS A 106 28.106 -0.186 -6.914 1.00 0.00 O ATOM 1717 CB HIS A 106 26.408 1.118 -8.613 1.00 0.00 C ATOM 1718 CG HIS A 106 26.697 0.165 -9.736 1.00 0.00 C ATOM 1719 ND1 HIS A 106 27.360 0.537 -10.885 1.00 0.00 N ATOM 1720 CD2 HIS A 106 26.410 -1.152 -9.881 1.00 0.00 C ATOM 1721 CE1 HIS A 106 27.468 -0.509 -11.686 1.00 0.00 C ATOM 1722 NE2 HIS A 106 26.899 -1.545 -11.097 1.00 0.00 N ATOM 1723 OXT HIS A 106 26.519 -1.357 -5.960 1.00 0.00 O ATOM 0 H HIS A 106 25.929 1.414 -5.509 1.00 0.00 H new ATOM 0 HA HIS A 106 24.994 -0.162 -7.662 1.00 0.00 H new ATOM 0 HB2 HIS A 106 25.697 1.868 -8.960 1.00 0.00 H new ATOM 0 HB3 HIS A 106 27.325 1.646 -8.352 1.00 0.00 H new ATOM 0 HD2 HIS A 106 25.891 -1.776 -9.168 1.00 0.00 H new ATOM 0 HE1 HIS A 106 27.941 -0.515 -12.657 1.00 0.00 H new ATOM 0 HE2 HIS A 106 26.834 -2.486 -11.486 1.00 0.00 H new TER 1732 HIS A 106