USER MOD reduce.3.24.130724 H: found=0, std=0, add=890, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 887 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 96 ASN : amide:sc= -4.36! C(o=-4!,f=-14!) USER MOD Set 1.2: A 97 THR OG1 : rot -31:sc= 0.342 USER MOD Set 2.1: A 93 TYR OH : rot 150:sc=-0.00292 USER MOD Set 2.2: A 95 HIS : no HD1:sc= -3.75! C(o=-3.8!,f=-9.3!) USER MOD Set 3.1: A 62 HIS : no HD1:sc= 0 X(o=0,f=-0.13) USER MOD Set 3.2: A 67 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 54 ASN : amide:sc= -1.24 K(o=-1.6,f=-3.8!) USER MOD Set 4.2: A 56 TYR OH : rot 150:sc= -0.384 USER MOD Set 5.1: A 27 SER OG : rot -15:sc= 0.537! USER MOD Set 5.2: A 52 GLN : amide:sc= -10.4! C(o=-9.9!,f=-10!) USER MOD Single : A 2 THR OG1 : rot 31:sc= 0.138 USER MOD Single : A 6 GLN : amide:sc= -3.1! X(o=-3.1!,f=-2.8) USER MOD Single : A 8 LYS NZ :NH3+ 169:sc= -3.1! (180deg=-3.56!) USER MOD Single : A 9 HIS : no HD1:sc= -3.57! C(o=-3.6!,f=-8!) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot -99:sc= 0.407 USER MOD Single : A 13 ASN : amide:sc= -2.16! C(o=-2.2!,f=-4.6!) USER MOD Single : A 16 ASN : amide:sc= -0.393 X(o=-0.39,f=-0.76) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 CYS SG : rot -60:sc= 0.0953 USER MOD Single : A 39 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= -0.0622 USER MOD Single : A 48 ASN : amide:sc= -0.012 K(o=-0.012,f=-1.8!) USER MOD Single : A 49 LYS NZ :NH3+ 164:sc= -0.0573 (180deg=-0.497) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= -0.557 USER MOD Single : A 58 SER OG : rot 179:sc= 0.448 USER MOD Single : A 60 THR OG1 : rot 180:sc=-0.00968 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 93:sc= 1.26 USER MOD Single : A 65 ASN : amide:sc= -1.79! C(o=-1.8!,f=-1.5!) USER MOD Single : A 72 TYR OH : rot 180:sc= -0.585 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -3.63! C(o=-3.6!,f=-4.6!) USER MOD Single : A 75 LYS NZ :NH3+ -134:sc= -0.0555 (180deg=-0.498) USER MOD Single : A 76 GLN : amide:sc= -5.95! C(o=-5.9!,f=-7.5!) USER MOD Single : A 86 ASN :FLIP amide:sc= -0.0138 F(o=-1.7!,f=-0.014) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 89 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 -11.029 -8.356 18.809 1.00 0.00 N ATOM 21 CA THR A 2 -12.428 -7.851 18.641 1.00 0.00 C ATOM 22 C THR A 2 -12.497 -6.974 17.385 1.00 0.00 C ATOM 23 O THR A 2 -13.557 -6.630 16.906 1.00 0.00 O ATOM 24 CB THR A 2 -12.811 -7.017 19.867 1.00 0.00 C ATOM 25 OG1 THR A 2 -12.671 -7.809 21.040 1.00 0.00 O ATOM 26 CG2 THR A 2 -14.259 -6.543 19.742 1.00 0.00 C ATOM 0 HA THR A 2 -13.117 -8.690 18.540 1.00 0.00 H new ATOM 0 HB THR A 2 -12.155 -6.149 19.930 1.00 0.00 H new ATOM 0 HG1 THR A 2 -11.953 -8.463 20.910 1.00 0.00 H new ATOM 0 HG21 THR A 2 -14.525 -5.950 20.617 1.00 0.00 H new ATOM 0 HG22 THR A 2 -14.366 -5.933 18.845 1.00 0.00 H new ATOM 0 HG23 THR A 2 -14.920 -7.407 19.674 1.00 0.00 H new ATOM 34 N LEU A 3 -11.358 -6.606 16.856 1.00 0.00 N ATOM 35 CA LEU A 3 -11.333 -5.752 15.630 1.00 0.00 C ATOM 36 C LEU A 3 -11.954 -6.514 14.455 1.00 0.00 C ATOM 37 O LEU A 3 -12.695 -5.966 13.663 1.00 0.00 O ATOM 38 CB LEU A 3 -9.884 -5.395 15.292 1.00 0.00 C ATOM 39 CG LEU A 3 -9.196 -4.816 16.535 1.00 0.00 C ATOM 40 CD1 LEU A 3 -7.729 -4.508 16.220 1.00 0.00 C ATOM 41 CD2 LEU A 3 -9.912 -3.526 16.965 1.00 0.00 C ATOM 0 H LEU A 3 -10.441 -6.861 17.222 1.00 0.00 H new ATOM 0 HA LEU A 3 -11.905 -4.842 15.812 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -9.351 -6.281 14.948 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -9.857 -4.671 14.478 1.00 0.00 H new ATOM 0 HG LEU A 3 -9.244 -5.545 17.344 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -7.245 -4.097 17.106 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -7.221 -5.425 15.921 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -7.676 -3.783 15.408 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -9.423 -3.115 17.848 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -9.869 -2.798 16.155 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -10.953 -3.748 17.198 1.00 0.00 H new ATOM 53 N GLU A 4 -11.652 -7.778 14.337 1.00 0.00 N ATOM 54 CA GLU A 4 -12.219 -8.581 13.213 1.00 0.00 C ATOM 55 C GLU A 4 -13.741 -8.659 13.368 1.00 0.00 C ATOM 56 O GLU A 4 -14.488 -8.474 12.428 1.00 0.00 O ATOM 57 CB GLU A 4 -11.638 -9.997 13.253 1.00 0.00 C ATOM 58 CG GLU A 4 -12.053 -10.765 11.996 1.00 0.00 C ATOM 59 CD GLU A 4 -11.338 -10.179 10.780 1.00 0.00 C ATOM 60 OE1 GLU A 4 -10.436 -9.380 10.972 1.00 0.00 O ATOM 61 OE2 GLU A 4 -11.709 -10.533 9.671 1.00 0.00 O ATOM 0 H GLU A 4 -11.037 -8.291 14.969 1.00 0.00 H new ATOM 0 HA GLU A 4 -11.966 -8.109 12.264 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -10.551 -9.952 13.320 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -11.991 -10.519 14.142 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -11.804 -11.821 12.103 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -13.133 -10.704 11.860 1.00 0.00 H new ATOM 68 N LEU A 5 -14.197 -8.932 14.559 1.00 0.00 N ATOM 69 CA LEU A 5 -15.667 -9.024 14.805 1.00 0.00 C ATOM 70 C LEU A 5 -16.309 -7.653 14.575 1.00 0.00 C ATOM 71 O LEU A 5 -17.379 -7.534 14.010 1.00 0.00 O ATOM 72 CB LEU A 5 -15.912 -9.465 16.253 1.00 0.00 C ATOM 73 CG LEU A 5 -15.421 -10.910 16.455 1.00 0.00 C ATOM 74 CD1 LEU A 5 -15.503 -11.278 17.941 1.00 0.00 C ATOM 75 CD2 LEU A 5 -16.283 -11.888 15.634 1.00 0.00 C ATOM 0 H LEU A 5 -13.612 -9.097 15.378 1.00 0.00 H new ATOM 0 HA LEU A 5 -16.107 -9.751 14.122 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -15.391 -8.796 16.938 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -16.974 -9.397 16.487 1.00 0.00 H new ATOM 0 HG LEU A 5 -14.387 -10.981 16.117 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -15.155 -12.301 18.082 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -14.877 -10.599 18.519 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -16.536 -11.196 18.280 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -15.924 -12.906 15.787 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -17.322 -11.817 15.957 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -16.214 -11.634 14.576 1.00 0.00 H new ATOM 87 N GLN A 6 -15.658 -6.617 15.028 1.00 0.00 N ATOM 88 CA GLN A 6 -16.211 -5.240 14.863 1.00 0.00 C ATOM 89 C GLN A 6 -16.263 -4.868 13.381 1.00 0.00 C ATOM 90 O GLN A 6 -17.229 -4.312 12.897 1.00 0.00 O ATOM 91 CB GLN A 6 -15.301 -4.246 15.591 1.00 0.00 C ATOM 92 CG GLN A 6 -15.942 -2.857 15.599 1.00 0.00 C ATOM 93 CD GLN A 6 -17.203 -2.888 16.462 1.00 0.00 C ATOM 94 OE1 GLN A 6 -17.211 -3.467 17.529 1.00 0.00 O ATOM 95 NE2 GLN A 6 -18.283 -2.296 16.035 1.00 0.00 N ATOM 0 H GLN A 6 -14.760 -6.664 15.509 1.00 0.00 H new ATOM 0 HA GLN A 6 -17.218 -5.208 15.278 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -15.127 -4.581 16.614 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -14.329 -4.204 15.100 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -15.238 -2.121 15.989 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -16.191 -2.553 14.582 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -18.277 -1.809 15.139 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -19.134 -2.320 16.597 1.00 0.00 H new ATOM 104 N LEU A 7 -15.218 -5.161 12.659 1.00 0.00 N ATOM 105 CA LEU A 7 -15.197 -4.815 11.212 1.00 0.00 C ATOM 106 C LEU A 7 -16.277 -5.613 10.477 1.00 0.00 C ATOM 107 O LEU A 7 -16.972 -5.108 9.616 1.00 0.00 O ATOM 108 CB LEU A 7 -13.828 -5.156 10.616 1.00 0.00 C ATOM 109 CG LEU A 7 -13.778 -4.714 9.145 1.00 0.00 C ATOM 110 CD1 LEU A 7 -13.902 -3.184 9.049 1.00 0.00 C ATOM 111 CD2 LEU A 7 -12.459 -5.174 8.511 1.00 0.00 C ATOM 0 H LEU A 7 -14.379 -5.624 13.008 1.00 0.00 H new ATOM 0 HA LEU A 7 -15.387 -3.748 11.099 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -13.040 -4.659 11.182 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -13.645 -6.228 10.690 1.00 0.00 H new ATOM 0 HG LEU A 7 -14.611 -5.168 8.608 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -13.865 -2.881 8.003 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -14.849 -2.868 9.486 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -13.079 -2.718 9.591 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -12.427 -4.859 7.468 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -11.622 -4.730 9.050 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -12.389 -6.260 8.564 1.00 0.00 H new ATOM 123 N LYS A 8 -16.410 -6.865 10.814 1.00 0.00 N ATOM 124 CA LYS A 8 -17.432 -7.724 10.145 1.00 0.00 C ATOM 125 C LYS A 8 -18.827 -7.174 10.439 1.00 0.00 C ATOM 126 O LYS A 8 -19.669 -7.073 9.569 1.00 0.00 O ATOM 127 CB LYS A 8 -17.321 -9.153 10.683 1.00 0.00 C ATOM 128 CG LYS A 8 -18.293 -10.068 9.933 1.00 0.00 C ATOM 129 CD LYS A 8 -18.137 -11.508 10.433 1.00 0.00 C ATOM 130 CE LYS A 8 -19.098 -12.426 9.669 1.00 0.00 C ATOM 131 NZ LYS A 8 -18.722 -12.462 8.229 1.00 0.00 N ATOM 0 H LYS A 8 -15.853 -7.335 11.528 1.00 0.00 H new ATOM 0 HA LYS A 8 -17.263 -7.726 9.068 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -16.300 -9.517 10.565 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -17.544 -9.168 11.750 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -19.318 -9.729 10.085 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -18.098 -10.022 8.862 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -17.109 -11.843 10.292 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -18.345 -11.557 11.502 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -19.065 -13.432 10.088 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -20.122 -12.068 9.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -19.250 -13.220 7.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -18.951 -11.549 7.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -17.702 -12.642 8.141 1.00 0.00 H new ATOM 145 N HIS A 9 -19.072 -6.818 11.669 1.00 0.00 N ATOM 146 CA HIS A 9 -20.407 -6.271 12.037 1.00 0.00 C ATOM 147 C HIS A 9 -20.672 -4.978 11.257 1.00 0.00 C ATOM 148 O HIS A 9 -21.748 -4.758 10.738 1.00 0.00 O ATOM 149 CB HIS A 9 -20.444 -5.965 13.534 1.00 0.00 C ATOM 150 CG HIS A 9 -21.805 -5.447 13.894 1.00 0.00 C ATOM 151 ND1 HIS A 9 -22.891 -6.290 14.060 1.00 0.00 N ATOM 152 CD2 HIS A 9 -22.279 -4.176 14.098 1.00 0.00 C ATOM 153 CE1 HIS A 9 -23.959 -5.522 14.347 1.00 0.00 C ATOM 154 NE2 HIS A 9 -23.642 -4.225 14.383 1.00 0.00 N ATOM 0 H HIS A 9 -18.404 -6.883 12.437 1.00 0.00 H new ATOM 0 HA HIS A 9 -21.171 -7.009 11.793 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -20.220 -6.864 14.108 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -19.682 -5.228 13.786 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -21.686 -3.275 14.046 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -24.952 -5.908 14.526 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -24.264 -3.440 14.577 1.00 0.00 H new ATOM 162 N TYR A 10 -19.688 -4.121 11.172 1.00 0.00 N ATOM 163 CA TYR A 10 -19.871 -2.833 10.431 1.00 0.00 C ATOM 164 C TYR A 10 -20.149 -3.123 8.951 1.00 0.00 C ATOM 165 O TYR A 10 -21.052 -2.574 8.352 1.00 0.00 O ATOM 166 CB TYR A 10 -18.598 -1.989 10.535 1.00 0.00 C ATOM 167 CG TYR A 10 -18.760 -0.734 9.710 1.00 0.00 C ATOM 168 CD1 TYR A 10 -19.382 0.389 10.268 1.00 0.00 C ATOM 169 CD2 TYR A 10 -18.300 -0.697 8.389 1.00 0.00 C ATOM 170 CE1 TYR A 10 -19.542 1.552 9.504 1.00 0.00 C ATOM 171 CE2 TYR A 10 -18.462 0.466 7.624 1.00 0.00 C ATOM 172 CZ TYR A 10 -19.083 1.591 8.182 1.00 0.00 C ATOM 173 OH TYR A 10 -19.244 2.736 7.429 1.00 0.00 O ATOM 0 H TYR A 10 -18.764 -4.256 11.583 1.00 0.00 H new ATOM 0 HA TYR A 10 -20.710 -2.292 10.868 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -18.404 -1.731 11.576 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -17.739 -2.561 10.183 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -19.738 0.359 11.287 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -17.820 -1.564 7.959 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -20.020 2.419 9.935 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -18.108 0.495 6.604 1.00 0.00 H new ATOM 0 HH TYR A 10 -18.869 2.595 6.535 1.00 0.00 H new ATOM 183 N ILE A 11 -19.357 -3.977 8.362 1.00 0.00 N ATOM 184 CA ILE A 11 -19.541 -4.312 6.918 1.00 0.00 C ATOM 185 C ILE A 11 -20.887 -5.021 6.713 1.00 0.00 C ATOM 186 O ILE A 11 -21.616 -4.743 5.781 1.00 0.00 O ATOM 187 CB ILE A 11 -18.410 -5.241 6.465 1.00 0.00 C ATOM 188 CG1 ILE A 11 -17.079 -4.482 6.488 1.00 0.00 C ATOM 189 CG2 ILE A 11 -18.687 -5.736 5.041 1.00 0.00 C ATOM 190 CD1 ILE A 11 -15.923 -5.463 6.274 1.00 0.00 C ATOM 0 H ILE A 11 -18.585 -4.461 8.821 1.00 0.00 H new ATOM 0 HA ILE A 11 -19.524 -3.393 6.333 1.00 0.00 H new ATOM 0 HB ILE A 11 -18.355 -6.094 7.142 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -17.071 -3.719 5.709 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -16.960 -3.966 7.441 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -17.881 -6.396 4.722 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -19.631 -6.281 5.022 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -18.747 -4.883 4.365 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -14.978 -4.921 6.291 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -15.927 -6.209 7.068 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -16.040 -5.958 5.310 1.00 0.00 H new ATOM 202 N THR A 12 -21.206 -5.952 7.574 1.00 0.00 N ATOM 203 CA THR A 12 -22.491 -6.700 7.429 1.00 0.00 C ATOM 204 C THR A 12 -23.679 -5.765 7.686 1.00 0.00 C ATOM 205 O THR A 12 -24.669 -5.790 6.983 1.00 0.00 O ATOM 206 CB THR A 12 -22.534 -7.852 8.440 1.00 0.00 C ATOM 207 OG1 THR A 12 -22.202 -7.355 9.730 1.00 0.00 O ATOM 208 CG2 THR A 12 -21.535 -8.939 8.037 1.00 0.00 C ATOM 0 H THR A 12 -20.633 -6.227 8.371 1.00 0.00 H new ATOM 0 HA THR A 12 -22.554 -7.094 6.415 1.00 0.00 H new ATOM 0 HB THR A 12 -23.536 -8.280 8.457 1.00 0.00 H new ATOM 0 HG1 THR A 12 -21.261 -7.548 9.923 1.00 0.00 H new ATOM 0 HG21 THR A 12 -21.572 -9.753 8.760 1.00 0.00 H new ATOM 0 HG22 THR A 12 -21.791 -9.320 7.048 1.00 0.00 H new ATOM 0 HG23 THR A 12 -20.529 -8.519 8.015 1.00 0.00 H new ATOM 216 N ASN A 13 -23.578 -4.942 8.695 1.00 0.00 N ATOM 217 CA ASN A 13 -24.690 -3.996 9.013 1.00 0.00 C ATOM 218 C ASN A 13 -24.812 -2.955 7.894 1.00 0.00 C ATOM 219 O ASN A 13 -25.893 -2.583 7.481 1.00 0.00 O ATOM 220 CB ASN A 13 -24.393 -3.297 10.342 1.00 0.00 C ATOM 221 CG ASN A 13 -25.504 -2.293 10.670 1.00 0.00 C ATOM 222 OD1 ASN A 13 -26.288 -1.937 9.816 1.00 0.00 O ATOM 223 ND2 ASN A 13 -25.600 -1.820 11.886 1.00 0.00 N ATOM 0 H ASN A 13 -22.771 -4.883 9.316 1.00 0.00 H new ATOM 0 HA ASN A 13 -25.628 -4.545 9.094 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -24.312 -4.035 11.140 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -23.433 -2.783 10.285 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -26.335 -1.151 12.117 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -24.940 -2.120 12.604 1.00 0.00 H new ATOM 230 N LEU A 14 -23.693 -2.487 7.403 1.00 0.00 N ATOM 231 CA LEU A 14 -23.707 -1.467 6.310 1.00 0.00 C ATOM 232 C LEU A 14 -24.349 -2.060 5.053 1.00 0.00 C ATOM 233 O LEU A 14 -25.139 -1.425 4.383 1.00 0.00 O ATOM 234 CB LEU A 14 -22.265 -1.046 5.986 1.00 0.00 C ATOM 235 CG LEU A 14 -22.242 -0.031 4.830 1.00 0.00 C ATOM 236 CD1 LEU A 14 -23.112 1.186 5.179 1.00 0.00 C ATOM 237 CD2 LEU A 14 -20.798 0.424 4.578 1.00 0.00 C ATOM 0 H LEU A 14 -22.764 -2.769 7.714 1.00 0.00 H new ATOM 0 HA LEU A 14 -24.282 -0.601 6.637 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -21.801 -0.608 6.870 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -21.676 -1.923 5.718 1.00 0.00 H new ATOM 0 HG LEU A 14 -22.639 -0.504 3.932 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -23.089 1.898 4.354 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -24.139 0.862 5.350 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -22.727 1.662 6.081 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -20.781 1.143 3.759 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -20.401 0.891 5.479 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -20.185 -0.439 4.316 1.00 0.00 H new ATOM 249 N PHE A 15 -24.002 -3.274 4.724 1.00 0.00 N ATOM 250 CA PHE A 15 -24.576 -3.925 3.503 1.00 0.00 C ATOM 251 C PHE A 15 -25.730 -4.849 3.909 1.00 0.00 C ATOM 252 O PHE A 15 -26.352 -5.492 3.085 1.00 0.00 O ATOM 253 CB PHE A 15 -23.472 -4.727 2.801 1.00 0.00 C ATOM 254 CG PHE A 15 -22.538 -3.775 2.088 1.00 0.00 C ATOM 255 CD1 PHE A 15 -22.912 -3.225 0.856 1.00 0.00 C ATOM 256 CD2 PHE A 15 -21.303 -3.436 2.659 1.00 0.00 C ATOM 257 CE1 PHE A 15 -22.056 -2.340 0.193 1.00 0.00 C ATOM 258 CE2 PHE A 15 -20.445 -2.549 1.994 1.00 0.00 C ATOM 259 CZ PHE A 15 -20.822 -2.002 0.761 1.00 0.00 C ATOM 0 H PHE A 15 -23.343 -3.849 5.248 1.00 0.00 H new ATOM 0 HA PHE A 15 -24.960 -3.167 2.820 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -22.919 -5.320 3.529 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -23.911 -5.425 2.089 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -23.864 -3.485 0.417 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -21.013 -3.858 3.610 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -22.347 -1.917 -0.757 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -19.493 -2.287 2.432 1.00 0.00 H new ATOM 0 HZ PHE A 15 -20.161 -1.319 0.248 1.00 0.00 H new ATOM 269 N ASN A 16 -26.022 -4.901 5.185 1.00 0.00 N ATOM 270 CA ASN A 16 -27.140 -5.761 5.683 1.00 0.00 C ATOM 271 C ASN A 16 -26.927 -7.207 5.238 1.00 0.00 C ATOM 272 O ASN A 16 -27.840 -7.892 4.815 1.00 0.00 O ATOM 273 CB ASN A 16 -28.475 -5.225 5.152 1.00 0.00 C ATOM 274 CG ASN A 16 -29.630 -5.932 5.865 1.00 0.00 C ATOM 275 OD1 ASN A 16 -30.257 -6.811 5.310 1.00 0.00 O ATOM 276 ND2 ASN A 16 -29.940 -5.577 7.084 1.00 0.00 N ATOM 0 H ASN A 16 -25.529 -4.379 5.910 1.00 0.00 H new ATOM 0 HA ASN A 16 -27.158 -5.736 6.773 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -28.537 -4.149 5.315 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -28.543 -5.389 4.077 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -30.709 -6.039 7.570 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -29.413 -4.838 7.550 1.00 0.00 H new ATOM 283 N LEU A 17 -25.709 -7.674 5.333 1.00 0.00 N ATOM 284 CA LEU A 17 -25.402 -9.079 4.925 1.00 0.00 C ATOM 285 C LEU A 17 -25.543 -10.015 6.134 1.00 0.00 C ATOM 286 O LEU A 17 -25.274 -9.627 7.256 1.00 0.00 O ATOM 287 CB LEU A 17 -23.963 -9.160 4.402 1.00 0.00 C ATOM 288 CG LEU A 17 -23.773 -8.170 3.251 1.00 0.00 C ATOM 289 CD1 LEU A 17 -22.278 -7.962 2.995 1.00 0.00 C ATOM 290 CD2 LEU A 17 -24.435 -8.711 1.977 1.00 0.00 C ATOM 0 H LEU A 17 -24.910 -7.141 5.677 1.00 0.00 H new ATOM 0 HA LEU A 17 -26.099 -9.381 4.143 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -23.261 -8.936 5.206 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -23.746 -10.173 4.062 1.00 0.00 H new ATOM 0 HG LEU A 17 -24.236 -7.221 3.521 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -22.144 -7.257 2.175 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -21.806 -7.566 3.895 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -21.818 -8.915 2.733 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -24.294 -7.999 1.164 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -23.981 -9.664 1.708 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -25.501 -8.854 2.154 1.00 0.00 H new ATOM 302 N PRO A 18 -25.960 -11.236 5.910 1.00 0.00 N ATOM 303 CA PRO A 18 -26.134 -12.243 6.998 1.00 0.00 C ATOM 304 C PRO A 18 -24.800 -12.671 7.622 1.00 0.00 C ATOM 305 O PRO A 18 -23.793 -12.795 6.957 1.00 0.00 O ATOM 306 CB PRO A 18 -26.825 -13.424 6.288 1.00 0.00 C ATOM 307 CG PRO A 18 -26.427 -13.294 4.854 1.00 0.00 C ATOM 308 CD PRO A 18 -26.304 -11.799 4.593 1.00 0.00 C ATOM 0 HA PRO A 18 -26.709 -11.847 7.835 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -26.502 -14.379 6.703 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -27.908 -13.376 6.404 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -25.483 -13.804 4.662 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -27.172 -13.746 4.199 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -25.533 -11.585 3.853 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -27.236 -11.382 4.211 1.00 0.00 H new ATOM 316 N ARG A 19 -24.801 -12.896 8.907 1.00 0.00 N ATOM 317 CA ARG A 19 -23.553 -13.323 9.611 1.00 0.00 C ATOM 318 C ARG A 19 -23.515 -14.851 9.689 1.00 0.00 C ATOM 319 O ARG A 19 -22.639 -15.435 10.293 1.00 0.00 O ATOM 320 CB ARG A 19 -23.554 -12.739 11.023 1.00 0.00 C ATOM 321 CG ARG A 19 -23.375 -11.223 10.947 1.00 0.00 C ATOM 322 CD ARG A 19 -23.454 -10.627 12.352 1.00 0.00 C ATOM 323 NE ARG A 19 -23.247 -9.150 12.282 1.00 0.00 N ATOM 324 CZ ARG A 19 -24.253 -8.350 12.051 1.00 0.00 C ATOM 325 NH1 ARG A 19 -25.450 -8.824 11.849 1.00 0.00 N ATOM 326 NH2 ARG A 19 -24.051 -7.058 12.004 1.00 0.00 N ATOM 0 H ARG A 19 -25.620 -12.802 9.507 1.00 0.00 H new ATOM 0 HA ARG A 19 -22.678 -12.966 9.067 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -24.490 -12.981 11.527 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -22.751 -13.182 11.612 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -22.414 -10.982 10.492 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -24.146 -10.787 10.312 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -24.424 -10.848 12.798 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -22.698 -11.080 12.993 1.00 0.00 H new ATOM 0 HE ARG A 19 -22.313 -8.763 12.416 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -25.610 -9.831 11.870 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -26.227 -8.188 11.670 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -23.113 -6.683 12.147 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -24.831 -6.426 11.824 1.00 0.00 H new ATOM 340 N ASP A 20 -24.468 -15.504 9.076 1.00 0.00 N ATOM 341 CA ASP A 20 -24.497 -16.995 9.105 1.00 0.00 C ATOM 342 C ASP A 20 -23.579 -17.538 8.007 1.00 0.00 C ATOM 343 O ASP A 20 -23.464 -18.730 7.806 1.00 0.00 O ATOM 344 CB ASP A 20 -25.936 -17.482 8.879 1.00 0.00 C ATOM 345 CG ASP A 20 -26.380 -17.199 7.438 1.00 0.00 C ATOM 346 OD1 ASP A 20 -25.624 -16.575 6.712 1.00 0.00 O ATOM 347 OD2 ASP A 20 -27.472 -17.617 7.086 1.00 0.00 O ATOM 0 H ASP A 20 -25.229 -15.067 8.556 1.00 0.00 H new ATOM 0 HA ASP A 20 -24.149 -17.354 10.073 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -26.000 -18.551 9.082 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -26.609 -16.984 9.577 1.00 0.00 H new ATOM 352 N GLU A 21 -22.925 -16.660 7.289 1.00 0.00 N ATOM 353 CA GLU A 21 -22.009 -17.106 6.193 1.00 0.00 C ATOM 354 C GLU A 21 -20.558 -17.078 6.684 1.00 0.00 C ATOM 355 O GLU A 21 -20.036 -16.050 7.071 1.00 0.00 O ATOM 356 CB GLU A 21 -22.158 -16.167 4.991 1.00 0.00 C ATOM 357 CG GLU A 21 -21.352 -16.710 3.809 1.00 0.00 C ATOM 358 CD GLU A 21 -22.000 -17.997 3.295 1.00 0.00 C ATOM 359 OE1 GLU A 21 -23.098 -18.303 3.727 1.00 0.00 O ATOM 360 OE2 GLU A 21 -21.386 -18.657 2.470 1.00 0.00 O ATOM 0 H GLU A 21 -22.986 -15.650 7.415 1.00 0.00 H new ATOM 0 HA GLU A 21 -22.269 -18.123 5.899 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -23.209 -16.077 4.716 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -21.810 -15.168 5.253 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -21.311 -15.968 3.012 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -20.324 -16.905 4.115 1.00 0.00 H new ATOM 367 N LYS A 22 -19.914 -18.210 6.667 1.00 0.00 N ATOM 368 CA LYS A 22 -18.496 -18.287 7.124 1.00 0.00 C ATOM 369 C LYS A 22 -17.580 -17.638 6.089 1.00 0.00 C ATOM 370 O LYS A 22 -17.674 -17.888 4.903 1.00 0.00 O ATOM 371 CB LYS A 22 -18.099 -19.755 7.307 1.00 0.00 C ATOM 372 CG LYS A 22 -16.686 -19.830 7.888 1.00 0.00 C ATOM 373 CD LYS A 22 -16.304 -21.289 8.139 1.00 0.00 C ATOM 374 CE LYS A 22 -14.894 -21.349 8.738 1.00 0.00 C ATOM 375 NZ LYS A 22 -14.523 -22.767 9.001 1.00 0.00 N ATOM 0 H LYS A 22 -20.312 -19.095 6.353 1.00 0.00 H new ATOM 0 HA LYS A 22 -18.396 -17.759 8.072 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -18.804 -20.254 7.972 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -18.139 -20.276 6.350 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -15.976 -19.372 7.200 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -16.636 -19.266 8.820 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -17.020 -21.752 8.818 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -16.339 -21.852 7.206 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -14.177 -20.896 8.053 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -14.857 -20.775 9.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -13.566 -22.806 9.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -15.201 -23.185 9.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -14.542 -23.302 8.109 1.00 0.00 H new ATOM 389 N TRP A 23 -16.697 -16.793 6.541 1.00 0.00 N ATOM 390 CA TRP A 23 -15.762 -16.096 5.609 1.00 0.00 C ATOM 391 C TRP A 23 -14.451 -16.870 5.506 1.00 0.00 C ATOM 392 O TRP A 23 -14.023 -17.525 6.436 1.00 0.00 O ATOM 393 CB TRP A 23 -15.468 -14.686 6.148 1.00 0.00 C ATOM 394 CG TRP A 23 -16.647 -13.788 5.921 1.00 0.00 C ATOM 395 CD1 TRP A 23 -17.900 -14.194 5.596 1.00 0.00 C ATOM 396 CD2 TRP A 23 -16.700 -12.331 5.990 1.00 0.00 C ATOM 397 NE1 TRP A 23 -18.711 -13.082 5.466 1.00 0.00 N ATOM 398 CE2 TRP A 23 -18.020 -11.911 5.700 1.00 0.00 C ATOM 399 CE3 TRP A 23 -15.739 -11.344 6.280 1.00 0.00 C ATOM 400 CZ2 TRP A 23 -18.372 -10.562 5.689 1.00 0.00 C ATOM 401 CZ3 TRP A 23 -16.091 -9.983 6.270 1.00 0.00 C ATOM 402 CH2 TRP A 23 -17.407 -9.595 5.979 1.00 0.00 C ATOM 0 H TRP A 23 -16.580 -16.552 7.525 1.00 0.00 H new ATOM 0 HA TRP A 23 -16.223 -16.034 4.623 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -15.240 -14.736 7.213 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -14.588 -14.275 5.652 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -18.213 -15.219 5.461 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -19.702 -13.122 5.226 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -14.725 -11.634 6.512 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -19.385 -10.267 5.458 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -15.345 -9.233 6.487 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -17.674 -8.549 5.979 1.00 0.00 H new ATOM 413 N GLU A 24 -13.814 -16.792 4.367 1.00 0.00 N ATOM 414 CA GLU A 24 -12.519 -17.510 4.164 1.00 0.00 C ATOM 415 C GLU A 24 -11.385 -16.488 4.122 1.00 0.00 C ATOM 416 O GLU A 24 -11.362 -15.582 3.313 1.00 0.00 O ATOM 417 CB GLU A 24 -12.566 -18.283 2.841 1.00 0.00 C ATOM 418 CG GLU A 24 -11.259 -19.057 2.665 1.00 0.00 C ATOM 419 CD GLU A 24 -11.316 -19.901 1.393 1.00 0.00 C ATOM 420 OE1 GLU A 24 -12.211 -19.683 0.596 1.00 0.00 O ATOM 421 OE2 GLU A 24 -10.455 -20.753 1.236 1.00 0.00 O ATOM 0 H GLU A 24 -14.138 -16.257 3.561 1.00 0.00 H new ATOM 0 HA GLU A 24 -12.351 -18.210 4.983 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -13.413 -18.969 2.837 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -12.710 -17.594 2.008 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -10.420 -18.363 2.613 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -11.088 -19.699 3.529 1.00 0.00 H new ATOM 428 N CYS A 25 -10.456 -16.629 5.022 1.00 0.00 N ATOM 429 CA CYS A 25 -9.309 -15.679 5.100 1.00 0.00 C ATOM 430 C CYS A 25 -8.126 -16.199 4.279 1.00 0.00 C ATOM 431 O CYS A 25 -7.847 -17.382 4.239 1.00 0.00 O ATOM 432 CB CYS A 25 -8.889 -15.536 6.573 1.00 0.00 C ATOM 433 SG CYS A 25 -10.362 -15.620 7.624 1.00 0.00 S ATOM 0 H CYS A 25 -10.441 -17.373 5.719 1.00 0.00 H new ATOM 0 HA CYS A 25 -9.612 -14.713 4.697 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -8.190 -16.328 6.843 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -8.372 -14.589 6.726 1.00 0.00 H new ATOM 0 HG CYS A 25 -11.177 -14.659 7.306 1.00 0.00 H new ATOM 439 N GLU A 26 -7.430 -15.309 3.629 1.00 0.00 N ATOM 440 CA GLU A 26 -6.249 -15.714 2.804 1.00 0.00 C ATOM 441 C GLU A 26 -5.136 -14.674 2.991 1.00 0.00 C ATOM 442 O GLU A 26 -5.149 -13.613 2.398 1.00 0.00 O ATOM 443 CB GLU A 26 -6.655 -15.778 1.330 1.00 0.00 C ATOM 444 CG GLU A 26 -5.462 -16.242 0.495 1.00 0.00 C ATOM 445 CD GLU A 26 -5.877 -16.393 -0.969 1.00 0.00 C ATOM 446 OE1 GLU A 26 -6.959 -15.948 -1.309 1.00 0.00 O ATOM 447 OE2 GLU A 26 -5.099 -16.952 -1.728 1.00 0.00 O ATOM 0 H GLU A 26 -7.628 -14.308 3.632 1.00 0.00 H new ATOM 0 HA GLU A 26 -5.893 -16.695 3.118 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -7.492 -16.464 1.201 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.991 -14.798 0.991 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -4.647 -15.523 0.578 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -5.088 -17.193 0.876 1.00 0.00 H new ATOM 454 N SER A 27 -4.182 -14.978 3.831 1.00 0.00 N ATOM 455 CA SER A 27 -3.066 -14.022 4.090 1.00 0.00 C ATOM 456 C SER A 27 -1.966 -14.177 3.040 1.00 0.00 C ATOM 457 O SER A 27 -1.521 -15.265 2.731 1.00 0.00 O ATOM 458 CB SER A 27 -2.485 -14.292 5.484 1.00 0.00 C ATOM 459 OG SER A 27 -1.493 -15.310 5.394 1.00 0.00 O ATOM 0 H SER A 27 -4.128 -15.853 4.352 1.00 0.00 H new ATOM 0 HA SER A 27 -3.454 -13.005 4.037 1.00 0.00 H new ATOM 0 HB2 SER A 27 -2.050 -13.380 5.892 1.00 0.00 H new ATOM 0 HB3 SER A 27 -3.277 -14.600 6.167 1.00 0.00 H new ATOM 0 HG SER A 27 -1.570 -15.766 4.530 1.00 0.00 H new ATOM 465 N ILE A 28 -1.525 -13.072 2.501 1.00 0.00 N ATOM 466 CA ILE A 28 -0.442 -13.097 1.475 1.00 0.00 C ATOM 467 C ILE A 28 0.410 -11.824 1.604 1.00 0.00 C ATOM 468 O ILE A 28 -0.101 -10.735 1.768 1.00 0.00 O ATOM 469 CB ILE A 28 -1.053 -13.166 0.071 1.00 0.00 C ATOM 470 CG1 ILE A 28 0.067 -13.301 -0.970 1.00 0.00 C ATOM 471 CG2 ILE A 28 -1.861 -11.897 -0.210 1.00 0.00 C ATOM 472 CD1 ILE A 28 0.837 -14.616 -0.760 1.00 0.00 C ATOM 0 H ILE A 28 -1.874 -12.141 2.731 1.00 0.00 H new ATOM 0 HA ILE A 28 0.184 -13.975 1.634 1.00 0.00 H new ATOM 0 HB ILE A 28 -1.713 -14.031 0.011 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -0.356 -13.276 -1.974 1.00 0.00 H new ATOM 0 HG13 ILE A 28 0.750 -12.455 -0.891 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.292 -11.954 -1.210 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -2.661 -11.805 0.525 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.207 -11.027 -0.146 1.00 0.00 H new ATOM 0 HD11 ILE A 28 1.628 -14.698 -1.506 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.276 -14.625 0.238 1.00 0.00 H new ATOM 0 HD13 ILE A 28 0.153 -15.459 -0.863 1.00 0.00 H new ATOM 484 N GLU A 29 1.705 -11.970 1.533 1.00 0.00 N ATOM 485 CA GLU A 29 2.609 -10.785 1.659 1.00 0.00 C ATOM 486 C GLU A 29 2.698 -10.035 0.327 1.00 0.00 C ATOM 487 O GLU A 29 3.088 -10.581 -0.687 1.00 0.00 O ATOM 488 CB GLU A 29 4.009 -11.262 2.071 1.00 0.00 C ATOM 489 CG GLU A 29 3.955 -11.807 3.500 1.00 0.00 C ATOM 490 CD GLU A 29 5.324 -12.359 3.902 1.00 0.00 C ATOM 491 OE1 GLU A 29 6.238 -12.277 3.098 1.00 0.00 O ATOM 492 OE2 GLU A 29 5.438 -12.855 5.013 1.00 0.00 O ATOM 0 H GLU A 29 2.180 -12.862 1.393 1.00 0.00 H new ATOM 0 HA GLU A 29 2.206 -10.110 2.414 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.359 -12.035 1.387 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.720 -10.438 2.010 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.656 -11.016 4.188 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.202 -12.592 3.570 1.00 0.00 H new ATOM 499 N GLU A 30 2.335 -8.778 0.336 1.00 0.00 N ATOM 500 CA GLU A 30 2.393 -7.966 -0.919 1.00 0.00 C ATOM 501 C GLU A 30 2.732 -6.507 -0.582 1.00 0.00 C ATOM 502 O GLU A 30 2.578 -6.057 0.538 1.00 0.00 O ATOM 503 CB GLU A 30 1.040 -8.020 -1.629 1.00 0.00 C ATOM 504 CG GLU A 30 1.163 -7.360 -3.004 1.00 0.00 C ATOM 505 CD GLU A 30 -0.094 -7.644 -3.824 1.00 0.00 C ATOM 506 OE1 GLU A 30 -1.086 -8.041 -3.238 1.00 0.00 O ATOM 507 OE2 GLU A 30 -0.037 -7.472 -5.032 1.00 0.00 O ATOM 0 H GLU A 30 2.000 -8.277 1.159 1.00 0.00 H new ATOM 0 HA GLU A 30 3.165 -8.375 -1.571 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.714 -9.055 -1.737 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.284 -7.509 -1.034 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.300 -6.285 -2.891 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.042 -7.741 -3.524 1.00 0.00 H new ATOM 514 N VAL A 31 3.199 -5.781 -1.559 1.00 0.00 N ATOM 515 CA VAL A 31 3.567 -4.352 -1.348 1.00 0.00 C ATOM 516 C VAL A 31 2.320 -3.532 -1.014 1.00 0.00 C ATOM 517 O VAL A 31 1.263 -3.711 -1.588 1.00 0.00 O ATOM 518 CB VAL A 31 4.222 -3.809 -2.623 1.00 0.00 C ATOM 519 CG1 VAL A 31 4.638 -2.353 -2.405 1.00 0.00 C ATOM 520 CG2 VAL A 31 5.460 -4.647 -2.954 1.00 0.00 C ATOM 0 H VAL A 31 3.344 -6.122 -2.509 1.00 0.00 H new ATOM 0 HA VAL A 31 4.267 -4.277 -0.516 1.00 0.00 H new ATOM 0 HB VAL A 31 3.511 -3.864 -3.448 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.104 -1.968 -3.312 1.00 0.00 H new ATOM 0 HG12 VAL A 31 3.758 -1.755 -2.167 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.349 -2.297 -1.581 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.928 -4.263 -3.861 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.169 -4.591 -2.128 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.166 -5.685 -3.109 1.00 0.00 H new ATOM 530 N ALA A 32 2.445 -2.640 -0.073 1.00 0.00 N ATOM 531 CA ALA A 32 1.279 -1.795 0.336 1.00 0.00 C ATOM 532 C ALA A 32 0.767 -0.971 -0.851 1.00 0.00 C ATOM 533 O ALA A 32 -0.420 -0.777 -1.023 1.00 0.00 O ATOM 534 CB ALA A 32 1.724 -0.837 1.443 1.00 0.00 C ATOM 0 H ALA A 32 3.309 -2.455 0.437 1.00 0.00 H new ATOM 0 HA ALA A 32 0.479 -2.446 0.688 1.00 0.00 H new ATOM 0 HB1 ALA A 32 0.881 -0.217 1.748 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.081 -1.410 2.299 1.00 0.00 H new ATOM 0 HB3 ALA A 32 2.527 -0.201 1.072 1.00 0.00 H new ATOM 540 N ASP A 33 1.658 -0.471 -1.661 1.00 0.00 N ATOM 541 CA ASP A 33 1.235 0.357 -2.832 1.00 0.00 C ATOM 542 C ASP A 33 0.362 -0.477 -3.781 1.00 0.00 C ATOM 543 O ASP A 33 -0.207 0.025 -4.729 1.00 0.00 O ATOM 544 CB ASP A 33 2.481 0.847 -3.574 1.00 0.00 C ATOM 545 CG ASP A 33 3.186 1.923 -2.744 1.00 0.00 C ATOM 546 OD1 ASP A 33 2.572 2.422 -1.814 1.00 0.00 O ATOM 547 OD2 ASP A 33 4.323 2.236 -3.054 1.00 0.00 O ATOM 0 H ASP A 33 2.665 -0.599 -1.565 1.00 0.00 H new ATOM 0 HA ASP A 33 0.655 1.210 -2.481 1.00 0.00 H new ATOM 0 HB2 ASP A 33 3.159 0.013 -3.757 1.00 0.00 H new ATOM 0 HB3 ASP A 33 2.201 1.250 -4.547 1.00 0.00 H new ATOM 552 N ASP A 34 0.260 -1.752 -3.524 1.00 0.00 N ATOM 553 CA ASP A 34 -0.569 -2.648 -4.392 1.00 0.00 C ATOM 554 C ASP A 34 -2.063 -2.379 -4.160 1.00 0.00 C ATOM 555 O ASP A 34 -2.734 -1.756 -4.959 1.00 0.00 O ATOM 556 CB ASP A 34 -0.263 -4.103 -4.030 1.00 0.00 C ATOM 557 CG ASP A 34 -1.003 -5.049 -4.976 1.00 0.00 C ATOM 558 OD1 ASP A 34 -0.680 -5.051 -6.153 1.00 0.00 O ATOM 559 OD2 ASP A 34 -1.873 -5.762 -4.507 1.00 0.00 O ATOM 0 H ASP A 34 0.719 -2.220 -2.742 1.00 0.00 H new ATOM 0 HA ASP A 34 -0.332 -2.456 -5.438 1.00 0.00 H new ATOM 0 HB2 ASP A 34 0.810 -4.282 -4.091 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -0.561 -4.300 -3.000 1.00 0.00 H new ATOM 564 N ILE A 35 -2.583 -2.863 -3.068 1.00 0.00 N ATOM 565 CA ILE A 35 -4.029 -2.673 -2.757 1.00 0.00 C ATOM 566 C ILE A 35 -4.227 -1.371 -1.984 1.00 0.00 C ATOM 567 O ILE A 35 -5.334 -1.014 -1.627 1.00 0.00 O ATOM 568 CB ILE A 35 -4.529 -3.861 -1.907 1.00 0.00 C ATOM 569 CG1 ILE A 35 -4.028 -3.750 -0.448 1.00 0.00 C ATOM 570 CG2 ILE A 35 -4.005 -5.165 -2.515 1.00 0.00 C ATOM 571 CD1 ILE A 35 -2.498 -3.613 -0.413 1.00 0.00 C ATOM 0 H ILE A 35 -2.061 -3.390 -2.367 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.595 -2.624 -3.687 1.00 0.00 H new ATOM 0 HB ILE A 35 -5.619 -3.850 -1.902 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -4.487 -2.888 0.036 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.333 -4.632 0.115 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.354 -6.010 -1.921 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.373 -5.264 -3.536 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.915 -5.151 -2.522 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -2.163 -3.536 0.621 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -2.044 -4.488 -0.877 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.200 -2.717 -0.958 1.00 0.00 H new ATOM 583 N LEU A 36 -3.154 -0.664 -1.711 1.00 0.00 N ATOM 584 CA LEU A 36 -3.259 0.613 -0.952 1.00 0.00 C ATOM 585 C LEU A 36 -2.832 1.782 -1.856 1.00 0.00 C ATOM 586 O LEU A 36 -1.660 2.077 -1.976 1.00 0.00 O ATOM 587 CB LEU A 36 -2.353 0.547 0.295 1.00 0.00 C ATOM 588 CG LEU A 36 -3.044 1.262 1.467 1.00 0.00 C ATOM 589 CD1 LEU A 36 -3.417 2.702 1.048 1.00 0.00 C ATOM 590 CD2 LEU A 36 -4.320 0.484 1.887 1.00 0.00 C ATOM 0 H LEU A 36 -2.207 -0.923 -1.986 1.00 0.00 H new ATOM 0 HA LEU A 36 -4.290 0.768 -0.633 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -2.151 -0.492 0.557 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.392 1.016 0.085 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.361 1.300 2.316 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.907 3.208 1.880 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.514 3.247 0.774 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.094 2.669 0.194 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.803 0.998 2.718 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -5.008 0.432 1.044 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.046 -0.525 2.195 1.00 0.00 H new ATOM 602 N PRO A 37 -3.765 2.435 -2.492 1.00 0.00 N ATOM 603 CA PRO A 37 -3.460 3.578 -3.394 1.00 0.00 C ATOM 604 C PRO A 37 -2.562 4.631 -2.735 1.00 0.00 C ATOM 605 O PRO A 37 -2.697 4.950 -1.573 1.00 0.00 O ATOM 606 CB PRO A 37 -4.845 4.162 -3.721 1.00 0.00 C ATOM 607 CG PRO A 37 -5.802 3.027 -3.531 1.00 0.00 C ATOM 608 CD PRO A 37 -5.207 2.155 -2.430 1.00 0.00 C ATOM 0 HA PRO A 37 -2.904 3.259 -4.275 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -5.087 4.996 -3.062 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -4.882 4.542 -4.742 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -6.789 3.392 -3.249 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -5.924 2.461 -4.454 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -5.621 2.408 -1.454 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -5.416 1.099 -2.601 1.00 0.00 H new ATOM 616 N ASP A 38 -1.642 5.163 -3.494 1.00 0.00 N ATOM 617 CA ASP A 38 -0.709 6.198 -2.961 1.00 0.00 C ATOM 618 C ASP A 38 -1.507 7.317 -2.288 1.00 0.00 C ATOM 619 O ASP A 38 -0.959 8.191 -1.644 1.00 0.00 O ATOM 620 CB ASP A 38 0.120 6.773 -4.112 1.00 0.00 C ATOM 621 CG ASP A 38 1.145 5.738 -4.583 1.00 0.00 C ATOM 622 OD1 ASP A 38 1.380 4.789 -3.850 1.00 0.00 O ATOM 623 OD2 ASP A 38 1.683 5.912 -5.664 1.00 0.00 O ATOM 0 H ASP A 38 -1.495 4.921 -4.474 1.00 0.00 H new ATOM 0 HA ASP A 38 -0.044 5.744 -2.226 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -0.534 7.053 -4.938 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.629 7.680 -3.787 1.00 0.00 H new ATOM 628 N GLN A 39 -2.804 7.298 -2.443 1.00 0.00 N ATOM 629 CA GLN A 39 -3.657 8.355 -1.817 1.00 0.00 C ATOM 630 C GLN A 39 -3.432 8.384 -0.304 1.00 0.00 C ATOM 631 O GLN A 39 -3.899 9.264 0.389 1.00 0.00 O ATOM 632 CB GLN A 39 -5.130 8.058 -2.112 1.00 0.00 C ATOM 633 CG GLN A 39 -5.403 8.257 -3.606 1.00 0.00 C ATOM 634 CD GLN A 39 -6.856 7.892 -3.926 1.00 0.00 C ATOM 635 OE1 GLN A 39 -7.262 6.760 -3.766 1.00 0.00 O ATOM 636 NE2 GLN A 39 -7.662 8.816 -4.378 1.00 0.00 N ATOM 0 H GLN A 39 -3.313 6.594 -2.978 1.00 0.00 H new ATOM 0 HA GLN A 39 -3.388 9.326 -2.233 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -5.371 7.036 -1.821 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -5.769 8.716 -1.524 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -5.210 9.293 -3.885 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -4.726 7.637 -4.194 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -7.322 9.768 -4.513 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -8.631 8.585 -4.596 1.00 0.00 H new ATOM 645 N TYR A 40 -2.717 7.423 0.218 1.00 0.00 N ATOM 646 CA TYR A 40 -2.455 7.389 1.689 1.00 0.00 C ATOM 647 C TYR A 40 -1.070 6.799 1.946 1.00 0.00 C ATOM 648 O TYR A 40 -0.707 6.516 3.068 1.00 0.00 O ATOM 649 CB TYR A 40 -3.522 6.535 2.376 1.00 0.00 C ATOM 650 CG TYR A 40 -4.814 7.314 2.444 1.00 0.00 C ATOM 651 CD1 TYR A 40 -5.017 8.233 3.477 1.00 0.00 C ATOM 652 CD2 TYR A 40 -5.802 7.119 1.473 1.00 0.00 C ATOM 653 CE1 TYR A 40 -6.206 8.964 3.542 1.00 0.00 C ATOM 654 CE2 TYR A 40 -6.994 7.851 1.536 1.00 0.00 C ATOM 655 CZ TYR A 40 -7.197 8.771 2.572 1.00 0.00 C ATOM 656 OH TYR A 40 -8.371 9.492 2.631 1.00 0.00 O ATOM 0 H TYR A 40 -2.301 6.657 -0.312 1.00 0.00 H new ATOM 0 HA TYR A 40 -2.492 8.401 2.092 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -3.672 5.606 1.825 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -3.195 6.261 3.379 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -4.253 8.379 4.227 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -5.646 6.406 0.677 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -6.360 9.676 4.339 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -7.757 7.706 0.785 1.00 0.00 H new ATOM 0 HH TYR A 40 -8.949 9.237 1.882 1.00 0.00 H new ATOM 666 N VAL A 41 -0.295 6.610 0.906 1.00 0.00 N ATOM 667 CA VAL A 41 1.081 6.034 1.065 1.00 0.00 C ATOM 668 C VAL A 41 2.107 7.005 0.464 1.00 0.00 C ATOM 669 O VAL A 41 3.298 6.794 0.553 1.00 0.00 O ATOM 670 CB VAL A 41 1.150 4.678 0.343 1.00 0.00 C ATOM 671 CG1 VAL A 41 2.209 3.788 0.989 1.00 0.00 C ATOM 672 CG2 VAL A 41 -0.207 3.986 0.443 1.00 0.00 C ATOM 0 H VAL A 41 -0.557 6.831 -0.055 1.00 0.00 H new ATOM 0 HA VAL A 41 1.304 5.887 2.122 1.00 0.00 H new ATOM 0 HB VAL A 41 1.412 4.846 -0.702 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.247 2.831 0.468 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.182 4.275 0.925 1.00 0.00 H new ATOM 0 HG13 VAL A 41 1.955 3.621 2.036 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.163 3.024 -0.068 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.459 3.829 1.492 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.969 4.610 -0.024 1.00 0.00 H new ATOM 682 N ARG A 42 1.639 8.066 -0.151 1.00 0.00 N ATOM 683 CA ARG A 42 2.569 9.071 -0.764 1.00 0.00 C ATOM 684 C ARG A 42 3.774 9.302 0.163 1.00 0.00 C ATOM 685 O ARG A 42 4.916 9.198 -0.239 1.00 0.00 O ATOM 686 CB ARG A 42 1.826 10.406 -0.975 1.00 0.00 C ATOM 687 CG ARG A 42 0.782 10.613 0.137 1.00 0.00 C ATOM 688 CD ARG A 42 0.121 11.979 -0.030 1.00 0.00 C ATOM 689 NE ARG A 42 -0.647 12.010 -1.308 1.00 0.00 N ATOM 690 CZ ARG A 42 -1.883 11.590 -1.350 1.00 0.00 C ATOM 691 NH1 ARG A 42 -2.463 11.117 -0.281 1.00 0.00 N ATOM 692 NH2 ARG A 42 -2.543 11.642 -2.476 1.00 0.00 N ATOM 0 H ARG A 42 0.647 8.281 -0.256 1.00 0.00 H new ATOM 0 HA ARG A 42 2.918 8.691 -1.724 1.00 0.00 H new ATOM 0 HB2 ARG A 42 2.538 11.231 -0.974 1.00 0.00 H new ATOM 0 HB3 ARG A 42 1.337 10.409 -1.949 1.00 0.00 H new ATOM 0 HG2 ARG A 42 0.029 9.826 0.094 1.00 0.00 H new ATOM 0 HG3 ARG A 42 1.259 10.545 1.115 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -0.544 12.178 0.811 1.00 0.00 H new ATOM 0 HD3 ARG A 42 0.878 12.763 -0.030 1.00 0.00 H new ATOM 0 HE ARG A 42 -0.203 12.362 -2.156 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -1.951 11.072 0.600 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -3.429 10.792 -0.326 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -2.093 12.009 -3.315 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -3.509 11.316 -2.517 1.00 0.00 H new ATOM 706 N LEU A 43 3.515 9.614 1.404 1.00 0.00 N ATOM 707 CA LEU A 43 4.621 9.853 2.376 1.00 0.00 C ATOM 708 C LEU A 43 4.874 8.573 3.165 1.00 0.00 C ATOM 709 O LEU A 43 6.000 8.179 3.383 1.00 0.00 O ATOM 710 CB LEU A 43 4.216 10.984 3.337 1.00 0.00 C ATOM 711 CG LEU A 43 4.554 12.343 2.715 1.00 0.00 C ATOM 712 CD1 LEU A 43 3.757 12.532 1.423 1.00 0.00 C ATOM 713 CD2 LEU A 43 4.201 13.460 3.699 1.00 0.00 C ATOM 0 H LEU A 43 2.576 9.714 1.790 1.00 0.00 H new ATOM 0 HA LEU A 43 5.529 10.139 1.845 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.149 10.927 3.550 1.00 0.00 H new ATOM 0 HB3 LEU A 43 4.737 10.870 4.287 1.00 0.00 H new ATOM 0 HG LEU A 43 5.620 12.379 2.491 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.000 13.500 0.984 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.012 11.740 0.719 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.690 12.492 1.644 1.00 0.00 H new ATOM 0 HD21 LEU A 43 4.442 14.426 3.255 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.136 13.421 3.927 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.773 13.330 4.618 1.00 0.00 H new ATOM 725 N GLY A 44 3.815 7.930 3.596 1.00 0.00 N ATOM 726 CA GLY A 44 3.949 6.673 4.384 1.00 0.00 C ATOM 727 C GLY A 44 5.097 5.815 3.827 1.00 0.00 C ATOM 728 O GLY A 44 4.941 5.170 2.808 1.00 0.00 O ATOM 0 H GLY A 44 2.854 8.230 3.431 1.00 0.00 H new ATOM 0 HA2 GLY A 44 4.138 6.910 5.431 1.00 0.00 H new ATOM 0 HA3 GLY A 44 3.015 6.112 4.348 1.00 0.00 H new ATOM 732 N PRO A 45 6.231 5.782 4.489 1.00 0.00 N ATOM 733 CA PRO A 45 7.389 4.959 4.029 1.00 0.00 C ATOM 734 C PRO A 45 6.954 3.506 3.776 1.00 0.00 C ATOM 735 O PRO A 45 7.729 2.666 3.360 1.00 0.00 O ATOM 736 CB PRO A 45 8.390 5.039 5.195 1.00 0.00 C ATOM 737 CG PRO A 45 8.035 6.291 5.940 1.00 0.00 C ATOM 738 CD PRO A 45 6.539 6.513 5.727 1.00 0.00 C ATOM 0 HA PRO A 45 7.814 5.315 3.090 1.00 0.00 H new ATOM 0 HB2 PRO A 45 8.313 4.163 5.839 1.00 0.00 H new ATOM 0 HB3 PRO A 45 9.416 5.077 4.830 1.00 0.00 H new ATOM 0 HG2 PRO A 45 8.265 6.190 7.001 1.00 0.00 H new ATOM 0 HG3 PRO A 45 8.610 7.139 5.569 1.00 0.00 H new ATOM 0 HD2 PRO A 45 5.958 6.133 6.567 1.00 0.00 H new ATOM 0 HD3 PRO A 45 6.305 7.573 5.631 1.00 0.00 H new ATOM 746 N LEU A 46 5.708 3.226 4.038 1.00 0.00 N ATOM 747 CA LEU A 46 5.169 1.856 3.839 1.00 0.00 C ATOM 748 C LEU A 46 5.060 1.575 2.337 1.00 0.00 C ATOM 749 O LEU A 46 4.646 0.515 1.916 1.00 0.00 O ATOM 750 CB LEU A 46 3.774 1.777 4.475 1.00 0.00 C ATOM 751 CG LEU A 46 3.807 2.374 5.889 1.00 0.00 C ATOM 752 CD1 LEU A 46 2.395 2.382 6.483 1.00 0.00 C ATOM 753 CD2 LEU A 46 4.729 1.532 6.778 1.00 0.00 C ATOM 0 H LEU A 46 5.030 3.903 4.388 1.00 0.00 H new ATOM 0 HA LEU A 46 5.829 1.121 4.301 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.054 2.317 3.860 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.443 0.739 4.517 1.00 0.00 H new ATOM 0 HG LEU A 46 4.181 3.396 5.838 1.00 0.00 H new ATOM 0 HD11 LEU A 46 2.425 2.807 7.486 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.739 2.983 5.854 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.015 1.362 6.532 1.00 0.00 H new ATOM 0 HD21 LEU A 46 4.753 1.956 7.782 1.00 0.00 H new ATOM 0 HD22 LEU A 46 4.355 0.509 6.824 1.00 0.00 H new ATOM 0 HD23 LEU A 46 5.736 1.532 6.361 1.00 0.00 H new ATOM 765 N SER A 47 5.422 2.536 1.528 1.00 0.00 N ATOM 766 CA SER A 47 5.343 2.351 0.046 1.00 0.00 C ATOM 767 C SER A 47 6.253 1.203 -0.400 1.00 0.00 C ATOM 768 O SER A 47 5.878 0.379 -1.208 1.00 0.00 O ATOM 769 CB SER A 47 5.786 3.640 -0.648 1.00 0.00 C ATOM 770 OG SER A 47 7.105 3.976 -0.221 1.00 0.00 O ATOM 0 H SER A 47 5.771 3.446 1.830 1.00 0.00 H new ATOM 0 HA SER A 47 4.314 2.113 -0.224 1.00 0.00 H new ATOM 0 HB2 SER A 47 5.764 3.510 -1.730 1.00 0.00 H new ATOM 0 HB3 SER A 47 5.097 4.450 -0.410 1.00 0.00 H new ATOM 0 HG SER A 47 7.393 4.801 -0.665 1.00 0.00 H new ATOM 776 N ASN A 48 7.450 1.144 0.119 1.00 0.00 N ATOM 777 CA ASN A 48 8.388 0.049 -0.276 1.00 0.00 C ATOM 778 C ASN A 48 8.314 -1.082 0.749 1.00 0.00 C ATOM 779 O ASN A 48 9.068 -2.032 0.697 1.00 0.00 O ATOM 780 CB ASN A 48 9.818 0.598 -0.331 1.00 0.00 C ATOM 781 CG ASN A 48 9.969 1.528 -1.542 1.00 0.00 C ATOM 782 OD1 ASN A 48 9.160 1.501 -2.446 1.00 0.00 O ATOM 783 ND2 ASN A 48 10.983 2.351 -1.598 1.00 0.00 N ATOM 0 H ASN A 48 7.821 1.807 0.800 1.00 0.00 H new ATOM 0 HA ASN A 48 8.107 -0.334 -1.257 1.00 0.00 H new ATOM 0 HB2 ASN A 48 10.045 1.140 0.587 1.00 0.00 H new ATOM 0 HB3 ASN A 48 10.531 -0.224 -0.400 1.00 0.00 H new ATOM 0 HD21 ASN A 48 11.094 2.970 -2.401 1.00 0.00 H new ATOM 0 HD22 ASN A 48 11.663 2.374 -0.839 1.00 0.00 H new ATOM 790 N LYS A 49 7.417 -0.982 1.697 1.00 0.00 N ATOM 791 CA LYS A 49 7.313 -2.054 2.737 1.00 0.00 C ATOM 792 C LYS A 49 6.272 -3.101 2.337 1.00 0.00 C ATOM 793 O LYS A 49 5.214 -2.795 1.811 1.00 0.00 O ATOM 794 CB LYS A 49 6.911 -1.447 4.083 1.00 0.00 C ATOM 795 CG LYS A 49 7.136 -2.482 5.203 1.00 0.00 C ATOM 796 CD LYS A 49 8.590 -2.424 5.686 1.00 0.00 C ATOM 797 CE LYS A 49 8.769 -3.370 6.868 1.00 0.00 C ATOM 798 NZ LYS A 49 8.535 -4.772 6.420 1.00 0.00 N ATOM 0 H LYS A 49 6.756 -0.211 1.797 1.00 0.00 H new ATOM 0 HA LYS A 49 8.289 -2.532 2.822 1.00 0.00 H new ATOM 0 HB2 LYS A 49 7.498 -0.550 4.279 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.864 -1.144 4.059 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.460 -2.283 6.034 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.905 -3.482 4.837 1.00 0.00 H new ATOM 0 HD2 LYS A 49 9.265 -2.703 4.877 1.00 0.00 H new ATOM 0 HD3 LYS A 49 8.847 -1.406 5.979 1.00 0.00 H new ATOM 0 HE2 LYS A 49 9.774 -3.271 7.278 1.00 0.00 H new ATOM 0 HE3 LYS A 49 8.072 -3.110 7.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 8.912 -5.431 7.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.514 -4.934 6.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 9.015 -4.931 5.511 1.00 0.00 H new ATOM 812 N ILE A 50 6.581 -4.342 2.599 1.00 0.00 N ATOM 813 CA ILE A 50 5.645 -5.452 2.267 1.00 0.00 C ATOM 814 C ILE A 50 4.773 -5.761 3.483 1.00 0.00 C ATOM 815 O ILE A 50 5.236 -6.264 4.486 1.00 0.00 O ATOM 816 CB ILE A 50 6.460 -6.694 1.888 1.00 0.00 C ATOM 817 CG1 ILE A 50 7.245 -6.409 0.606 1.00 0.00 C ATOM 818 CG2 ILE A 50 5.517 -7.874 1.653 1.00 0.00 C ATOM 819 CD1 ILE A 50 8.255 -7.532 0.355 1.00 0.00 C ATOM 0 H ILE A 50 7.455 -4.637 3.035 1.00 0.00 H new ATOM 0 HA ILE A 50 5.007 -5.163 1.432 1.00 0.00 H new ATOM 0 HB ILE A 50 7.150 -6.938 2.696 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.561 -6.327 -0.239 1.00 0.00 H new ATOM 0 HG13 ILE A 50 7.763 -5.454 0.691 1.00 0.00 H new ATOM 0 HG21 ILE A 50 6.098 -8.756 1.384 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.952 -8.075 2.563 1.00 0.00 H new ATOM 0 HG23 ILE A 50 4.827 -7.633 0.844 1.00 0.00 H new ATOM 0 HD11 ILE A 50 8.811 -7.324 -0.559 1.00 0.00 H new ATOM 0 HD12 ILE A 50 8.947 -7.593 1.195 1.00 0.00 H new ATOM 0 HD13 ILE A 50 7.727 -8.480 0.250 1.00 0.00 H new ATOM 831 N LEU A 51 3.510 -5.445 3.393 1.00 0.00 N ATOM 832 CA LEU A 51 2.573 -5.695 4.535 1.00 0.00 C ATOM 833 C LEU A 51 1.714 -6.924 4.233 1.00 0.00 C ATOM 834 O LEU A 51 1.355 -7.195 3.101 1.00 0.00 O ATOM 835 CB LEU A 51 1.664 -4.470 4.728 1.00 0.00 C ATOM 836 CG LEU A 51 2.401 -3.403 5.546 1.00 0.00 C ATOM 837 CD1 LEU A 51 3.618 -2.890 4.764 1.00 0.00 C ATOM 838 CD2 LEU A 51 1.450 -2.239 5.834 1.00 0.00 C ATOM 0 H LEU A 51 3.080 -5.020 2.571 1.00 0.00 H new ATOM 0 HA LEU A 51 3.148 -5.870 5.444 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.375 -4.064 3.759 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.746 -4.763 5.238 1.00 0.00 H new ATOM 0 HG LEU A 51 2.740 -3.841 6.485 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.136 -2.132 5.352 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.296 -3.719 4.562 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.287 -2.454 3.821 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.971 -1.479 6.416 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.109 -1.806 4.893 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.591 -2.602 6.398 1.00 0.00 H new ATOM 850 N GLN A 52 1.402 -7.672 5.251 1.00 0.00 N ATOM 851 CA GLN A 52 0.576 -8.891 5.061 1.00 0.00 C ATOM 852 C GLN A 52 -0.831 -8.486 4.635 1.00 0.00 C ATOM 853 O GLN A 52 -1.547 -7.807 5.348 1.00 0.00 O ATOM 854 CB GLN A 52 0.524 -9.673 6.380 1.00 0.00 C ATOM 855 CG GLN A 52 -0.191 -11.008 6.165 1.00 0.00 C ATOM 856 CD GLN A 52 0.659 -11.902 5.256 1.00 0.00 C ATOM 857 OE1 GLN A 52 1.866 -11.934 5.371 1.00 0.00 O ATOM 858 NE2 GLN A 52 0.070 -12.629 4.347 1.00 0.00 N ATOM 0 H GLN A 52 1.686 -7.489 6.213 1.00 0.00 H new ATOM 0 HA GLN A 52 1.013 -9.522 4.287 1.00 0.00 H new ATOM 0 HB2 GLN A 52 1.534 -9.847 6.750 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.003 -9.089 7.139 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -0.360 -11.501 7.123 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -1.170 -10.840 5.716 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -0.945 -12.602 4.251 1.00 0.00 H new ATOM 0 HE22 GLN A 52 0.625 -13.225 3.732 1.00 0.00 H new ATOM 867 N THR A 53 -1.225 -8.895 3.463 1.00 0.00 N ATOM 868 CA THR A 53 -2.581 -8.540 2.948 1.00 0.00 C ATOM 869 C THR A 53 -3.546 -9.697 3.209 1.00 0.00 C ATOM 870 O THR A 53 -3.401 -10.778 2.675 1.00 0.00 O ATOM 871 CB THR A 53 -2.481 -8.291 1.438 1.00 0.00 C ATOM 872 OG1 THR A 53 -1.510 -7.280 1.197 1.00 0.00 O ATOM 873 CG2 THR A 53 -3.835 -7.833 0.898 1.00 0.00 C ATOM 0 H THR A 53 -0.662 -9.466 2.832 1.00 0.00 H new ATOM 0 HA THR A 53 -2.949 -7.646 3.452 1.00 0.00 H new ATOM 0 HB THR A 53 -2.189 -9.213 0.936 1.00 0.00 H new ATOM 0 HG1 THR A 53 -1.440 -7.117 0.233 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.758 -7.658 -0.175 1.00 0.00 H new ATOM 0 HG22 THR A 53 -4.582 -8.604 1.087 1.00 0.00 H new ATOM 0 HG23 THR A 53 -4.132 -6.910 1.396 1.00 0.00 H new ATOM 881 N ASN A 54 -4.529 -9.467 4.037 1.00 0.00 N ATOM 882 CA ASN A 54 -5.523 -10.534 4.352 1.00 0.00 C ATOM 883 C ASN A 54 -6.819 -10.255 3.596 1.00 0.00 C ATOM 884 O ASN A 54 -7.624 -9.433 3.984 1.00 0.00 O ATOM 885 CB ASN A 54 -5.792 -10.548 5.858 1.00 0.00 C ATOM 886 CG ASN A 54 -6.718 -11.715 6.196 1.00 0.00 C ATOM 887 OD1 ASN A 54 -7.325 -12.297 5.322 1.00 0.00 O ATOM 888 ND2 ASN A 54 -6.849 -12.084 7.439 1.00 0.00 N ATOM 0 H ASN A 54 -4.687 -8.579 4.513 1.00 0.00 H new ATOM 0 HA ASN A 54 -5.131 -11.505 4.049 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -4.854 -10.643 6.405 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -6.247 -9.607 6.166 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -7.463 -12.863 7.678 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -6.338 -11.594 8.173 1.00 0.00 H new ATOM 895 N THR A 55 -7.008 -10.944 2.506 1.00 0.00 N ATOM 896 CA THR A 55 -8.237 -10.754 1.684 1.00 0.00 C ATOM 897 C THR A 55 -9.274 -11.796 2.094 1.00 0.00 C ATOM 898 O THR A 55 -8.967 -12.959 2.272 1.00 0.00 O ATOM 899 CB THR A 55 -7.891 -10.939 0.205 1.00 0.00 C ATOM 900 OG1 THR A 55 -6.861 -10.025 -0.150 1.00 0.00 O ATOM 901 CG2 THR A 55 -9.133 -10.667 -0.643 1.00 0.00 C ATOM 0 H THR A 55 -6.355 -11.640 2.145 1.00 0.00 H new ATOM 0 HA THR A 55 -8.636 -9.752 1.842 1.00 0.00 H new ATOM 0 HB THR A 55 -7.550 -11.959 0.029 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.634 -10.140 -1.096 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.890 -10.798 -1.697 1.00 0.00 H new ATOM 0 HG22 THR A 55 -9.924 -11.363 -0.364 1.00 0.00 H new ATOM 0 HG23 THR A 55 -9.473 -9.645 -0.473 1.00 0.00 H new ATOM 909 N TYR A 56 -10.496 -11.377 2.262 1.00 0.00 N ATOM 910 CA TYR A 56 -11.570 -12.326 2.679 1.00 0.00 C ATOM 911 C TYR A 56 -12.458 -12.661 1.484 1.00 0.00 C ATOM 912 O TYR A 56 -12.902 -11.796 0.755 1.00 0.00 O ATOM 913 CB TYR A 56 -12.413 -11.671 3.775 1.00 0.00 C ATOM 914 CG TYR A 56 -11.545 -11.448 4.988 1.00 0.00 C ATOM 915 CD1 TYR A 56 -10.786 -10.276 5.104 1.00 0.00 C ATOM 916 CD2 TYR A 56 -11.496 -12.415 5.998 1.00 0.00 C ATOM 917 CE1 TYR A 56 -9.980 -10.074 6.232 1.00 0.00 C ATOM 918 CE2 TYR A 56 -10.691 -12.214 7.124 1.00 0.00 C ATOM 919 CZ TYR A 56 -9.934 -11.042 7.241 1.00 0.00 C ATOM 920 OH TYR A 56 -9.141 -10.843 8.352 1.00 0.00 O ATOM 0 H TYR A 56 -10.801 -10.413 2.128 1.00 0.00 H new ATOM 0 HA TYR A 56 -11.120 -13.245 3.056 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -12.820 -10.723 3.423 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -13.261 -12.307 4.029 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -10.822 -9.529 4.325 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -12.081 -13.318 5.908 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -9.394 -9.171 6.323 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -10.653 -12.962 7.902 1.00 0.00 H new ATOM 0 HH TYR A 56 -9.540 -11.295 9.124 1.00 0.00 H new ATOM 930 N TYR A 57 -12.707 -13.927 1.289 1.00 0.00 N ATOM 931 CA TYR A 57 -13.563 -14.379 0.149 1.00 0.00 C ATOM 932 C TYR A 57 -14.777 -15.128 0.699 1.00 0.00 C ATOM 933 O TYR A 57 -14.657 -16.162 1.329 1.00 0.00 O ATOM 934 CB TYR A 57 -12.755 -15.318 -0.750 1.00 0.00 C ATOM 935 CG TYR A 57 -11.658 -14.536 -1.433 1.00 0.00 C ATOM 936 CD1 TYR A 57 -11.957 -13.752 -2.553 1.00 0.00 C ATOM 937 CD2 TYR A 57 -10.342 -14.595 -0.952 1.00 0.00 C ATOM 938 CE1 TYR A 57 -10.947 -13.025 -3.192 1.00 0.00 C ATOM 939 CE2 TYR A 57 -9.331 -13.867 -1.593 1.00 0.00 C ATOM 940 CZ TYR A 57 -9.633 -13.083 -2.714 1.00 0.00 C ATOM 941 OH TYR A 57 -8.636 -12.367 -3.343 1.00 0.00 O ATOM 0 H TYR A 57 -12.350 -14.679 1.878 1.00 0.00 H new ATOM 0 HA TYR A 57 -13.893 -13.515 -0.428 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -12.326 -16.127 -0.158 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -13.406 -15.778 -1.493 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -12.970 -13.708 -2.925 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -10.108 -15.201 -0.089 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -11.181 -12.419 -4.055 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -8.318 -13.910 -1.222 1.00 0.00 H new ATOM 0 HH TYR A 57 -7.784 -12.518 -2.883 1.00 0.00 H new ATOM 951 N SER A 58 -15.946 -14.597 0.466 1.00 0.00 N ATOM 952 CA SER A 58 -17.195 -15.253 0.959 1.00 0.00 C ATOM 953 C SER A 58 -18.259 -15.219 -0.142 1.00 0.00 C ATOM 954 O SER A 58 -18.213 -14.410 -1.047 1.00 0.00 O ATOM 955 CB SER A 58 -17.715 -14.512 2.186 1.00 0.00 C ATOM 956 OG SER A 58 -16.650 -14.345 3.108 1.00 0.00 O ATOM 0 H SER A 58 -16.093 -13.729 -0.049 1.00 0.00 H new ATOM 0 HA SER A 58 -16.977 -16.287 1.226 1.00 0.00 H new ATOM 0 HB2 SER A 58 -18.119 -13.542 1.897 1.00 0.00 H new ATOM 0 HB3 SER A 58 -18.529 -15.072 2.647 1.00 0.00 H new ATOM 0 HG SER A 58 -16.969 -13.849 3.890 1.00 0.00 H new ATOM 962 N ASP A 59 -19.214 -16.097 -0.054 1.00 0.00 N ATOM 963 CA ASP A 59 -20.305 -16.143 -1.071 1.00 0.00 C ATOM 964 C ASP A 59 -21.076 -14.818 -1.062 1.00 0.00 C ATOM 965 O ASP A 59 -21.379 -14.253 -2.096 1.00 0.00 O ATOM 966 CB ASP A 59 -21.266 -17.281 -0.710 1.00 0.00 C ATOM 967 CG ASP A 59 -22.409 -17.346 -1.723 1.00 0.00 C ATOM 968 OD1 ASP A 59 -22.462 -16.480 -2.581 1.00 0.00 O ATOM 969 OD2 ASP A 59 -23.214 -18.256 -1.623 1.00 0.00 O ATOM 0 H ASP A 59 -19.289 -16.794 0.687 1.00 0.00 H new ATOM 0 HA ASP A 59 -19.878 -16.307 -2.060 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -20.729 -18.229 -0.695 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -21.666 -17.125 0.292 1.00 0.00 H new ATOM 974 N THR A 60 -21.395 -14.325 0.104 1.00 0.00 N ATOM 975 CA THR A 60 -22.151 -13.038 0.205 1.00 0.00 C ATOM 976 C THR A 60 -21.280 -11.878 -0.291 1.00 0.00 C ATOM 977 O THR A 60 -21.723 -11.011 -1.018 1.00 0.00 O ATOM 978 CB THR A 60 -22.524 -12.788 1.669 1.00 0.00 C ATOM 979 OG1 THR A 60 -21.367 -12.940 2.486 1.00 0.00 O ATOM 980 CG2 THR A 60 -23.590 -13.792 2.111 1.00 0.00 C ATOM 0 H THR A 60 -21.164 -14.759 0.998 1.00 0.00 H new ATOM 0 HA THR A 60 -23.050 -13.103 -0.407 1.00 0.00 H new ATOM 0 HB THR A 60 -22.916 -11.776 1.771 1.00 0.00 H new ATOM 0 HG1 THR A 60 -21.605 -12.778 3.423 1.00 0.00 H new ATOM 0 HG21 THR A 60 -23.852 -13.610 3.153 1.00 0.00 H new ATOM 0 HG22 THR A 60 -24.478 -13.678 1.489 1.00 0.00 H new ATOM 0 HG23 THR A 60 -23.201 -14.805 2.006 1.00 0.00 H new ATOM 988 N LEU A 61 -20.042 -11.856 0.124 1.00 0.00 N ATOM 989 CA LEU A 61 -19.114 -10.756 -0.289 1.00 0.00 C ATOM 990 C LEU A 61 -18.889 -10.780 -1.801 1.00 0.00 C ATOM 991 O LEU A 61 -18.877 -9.757 -2.456 1.00 0.00 O ATOM 992 CB LEU A 61 -17.770 -10.944 0.416 1.00 0.00 C ATOM 993 CG LEU A 61 -17.912 -10.657 1.920 1.00 0.00 C ATOM 994 CD1 LEU A 61 -16.596 -11.005 2.628 1.00 0.00 C ATOM 995 CD2 LEU A 61 -18.247 -9.168 2.149 1.00 0.00 C ATOM 0 H LEU A 61 -19.628 -12.558 0.737 1.00 0.00 H new ATOM 0 HA LEU A 61 -19.559 -9.800 -0.013 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -17.412 -11.962 0.265 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -17.026 -10.277 -0.020 1.00 0.00 H new ATOM 0 HG LEU A 61 -18.720 -11.265 2.326 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -16.692 -10.803 3.695 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -16.370 -12.061 2.478 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -15.789 -10.399 2.215 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -18.345 -8.977 3.218 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -17.448 -8.548 1.742 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -19.185 -8.925 1.650 1.00 0.00 H new ATOM 1007 N HIS A 62 -18.696 -11.943 -2.354 1.00 0.00 N ATOM 1008 CA HIS A 62 -18.461 -12.046 -3.824 1.00 0.00 C ATOM 1009 C HIS A 62 -19.732 -11.635 -4.564 1.00 0.00 C ATOM 1010 O HIS A 62 -19.701 -10.934 -5.555 1.00 0.00 O ATOM 1011 CB HIS A 62 -18.102 -13.486 -4.185 1.00 0.00 C ATOM 1012 CG HIS A 62 -17.747 -13.568 -5.642 1.00 0.00 C ATOM 1013 ND1 HIS A 62 -18.670 -13.938 -6.608 1.00 0.00 N ATOM 1014 CD2 HIS A 62 -16.576 -13.327 -6.315 1.00 0.00 C ATOM 1015 CE1 HIS A 62 -18.043 -13.908 -7.800 1.00 0.00 C ATOM 1016 NE2 HIS A 62 -16.765 -13.543 -7.678 1.00 0.00 N ATOM 0 H HIS A 62 -18.690 -12.831 -1.852 1.00 0.00 H new ATOM 0 HA HIS A 62 -17.640 -11.389 -4.111 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -17.264 -13.826 -3.577 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -18.942 -14.146 -3.967 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -15.648 -13.017 -5.857 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -18.517 -14.150 -8.740 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -16.075 -13.444 -8.423 1.00 0.00 H new ATOM 1024 N LYS A 63 -20.858 -12.068 -4.068 1.00 0.00 N ATOM 1025 CA LYS A 63 -22.155 -11.709 -4.711 1.00 0.00 C ATOM 1026 C LYS A 63 -22.357 -10.195 -4.624 1.00 0.00 C ATOM 1027 O LYS A 63 -22.779 -9.549 -5.562 1.00 0.00 O ATOM 1028 CB LYS A 63 -23.295 -12.418 -3.978 1.00 0.00 C ATOM 1029 CG LYS A 63 -24.617 -12.149 -4.698 1.00 0.00 C ATOM 1030 CD LYS A 63 -25.748 -12.918 -4.011 1.00 0.00 C ATOM 1031 CE LYS A 63 -27.068 -12.654 -4.743 1.00 0.00 C ATOM 1032 NZ LYS A 63 -28.161 -13.441 -4.102 1.00 0.00 N ATOM 0 H LYS A 63 -20.937 -12.659 -3.240 1.00 0.00 H new ATOM 0 HA LYS A 63 -22.147 -12.017 -5.756 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -23.103 -13.490 -3.938 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -23.353 -12.066 -2.948 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -24.835 -11.081 -4.691 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -24.541 -12.452 -5.742 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -25.528 -13.986 -4.011 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -25.830 -12.609 -2.969 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -27.306 -11.591 -4.713 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -26.975 -12.930 -5.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -29.056 -13.261 -4.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -27.935 -14.455 -4.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -28.255 -13.157 -3.106 1.00 0.00 H new ATOM 1046 N SER A 64 -22.048 -9.630 -3.489 1.00 0.00 N ATOM 1047 CA SER A 64 -22.205 -8.156 -3.301 1.00 0.00 C ATOM 1048 C SER A 64 -21.053 -7.430 -4.005 1.00 0.00 C ATOM 1049 O SER A 64 -20.982 -6.214 -4.034 1.00 0.00 O ATOM 1050 CB SER A 64 -22.186 -7.837 -1.804 1.00 0.00 C ATOM 1051 OG SER A 64 -23.010 -8.773 -1.116 1.00 0.00 O ATOM 0 H SER A 64 -21.690 -10.130 -2.675 1.00 0.00 H new ATOM 0 HA SER A 64 -23.151 -7.825 -3.729 1.00 0.00 H new ATOM 0 HB2 SER A 64 -21.166 -7.883 -1.423 1.00 0.00 H new ATOM 0 HB3 SER A 64 -22.545 -6.822 -1.631 1.00 0.00 H new ATOM 0 HG SER A 64 -22.464 -9.527 -0.810 1.00 0.00 H new ATOM 1057 N ASN A 65 -20.146 -8.184 -4.570 1.00 0.00 N ATOM 1058 CA ASN A 65 -18.975 -7.585 -5.281 1.00 0.00 C ATOM 1059 C ASN A 65 -18.124 -6.778 -4.300 1.00 0.00 C ATOM 1060 O ASN A 65 -17.638 -5.710 -4.613 1.00 0.00 O ATOM 1061 CB ASN A 65 -19.460 -6.674 -6.415 1.00 0.00 C ATOM 1062 CG ASN A 65 -18.307 -6.404 -7.391 1.00 0.00 C ATOM 1063 OD1 ASN A 65 -17.499 -7.271 -7.650 1.00 0.00 O ATOM 1064 ND2 ASN A 65 -18.200 -5.226 -7.943 1.00 0.00 N ATOM 0 H ASN A 65 -20.167 -9.204 -4.569 1.00 0.00 H new ATOM 0 HA ASN A 65 -18.370 -8.388 -5.702 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -20.292 -7.143 -6.941 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -19.831 -5.734 -6.006 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -17.437 -5.034 -8.592 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -18.879 -4.497 -7.725 1.00 0.00 H new ATOM 1071 N ILE A 66 -17.939 -7.296 -3.111 1.00 0.00 N ATOM 1072 CA ILE A 66 -17.110 -6.583 -2.085 1.00 0.00 C ATOM 1073 C ILE A 66 -15.927 -7.466 -1.686 1.00 0.00 C ATOM 1074 O ILE A 66 -16.076 -8.642 -1.413 1.00 0.00 O ATOM 1075 CB ILE A 66 -17.971 -6.272 -0.860 1.00 0.00 C ATOM 1076 CG1 ILE A 66 -19.117 -5.351 -1.290 1.00 0.00 C ATOM 1077 CG2 ILE A 66 -17.114 -5.567 0.200 1.00 0.00 C ATOM 1078 CD1 ILE A 66 -20.120 -5.197 -0.146 1.00 0.00 C ATOM 0 H ILE A 66 -18.328 -8.187 -2.803 1.00 0.00 H new ATOM 0 HA ILE A 66 -16.733 -5.648 -2.501 1.00 0.00 H new ATOM 0 HB ILE A 66 -18.372 -7.194 -0.439 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -18.723 -4.375 -1.574 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -19.615 -5.762 -2.168 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -17.726 -5.345 1.074 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -16.288 -6.216 0.491 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -16.718 -4.639 -0.211 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -20.932 -4.541 -0.460 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -20.525 -6.174 0.117 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -19.620 -4.766 0.721 1.00 0.00 H new ATOM 1090 N TYR A 67 -14.751 -6.898 -1.668 1.00 0.00 N ATOM 1091 CA TYR A 67 -13.523 -7.676 -1.302 1.00 0.00 C ATOM 1092 C TYR A 67 -12.830 -7.007 -0.105 1.00 0.00 C ATOM 1093 O TYR A 67 -11.944 -6.190 -0.272 1.00 0.00 O ATOM 1094 CB TYR A 67 -12.563 -7.687 -2.491 1.00 0.00 C ATOM 1095 CG TYR A 67 -13.245 -8.345 -3.667 1.00 0.00 C ATOM 1096 CD1 TYR A 67 -13.266 -9.740 -3.770 1.00 0.00 C ATOM 1097 CD2 TYR A 67 -13.859 -7.560 -4.649 1.00 0.00 C ATOM 1098 CE1 TYR A 67 -13.900 -10.353 -4.857 1.00 0.00 C ATOM 1099 CE2 TYR A 67 -14.493 -8.173 -5.738 1.00 0.00 C ATOM 1100 CZ TYR A 67 -14.513 -9.570 -5.841 1.00 0.00 C ATOM 1101 OH TYR A 67 -15.139 -10.173 -6.913 1.00 0.00 O ATOM 0 H TYR A 67 -14.583 -5.917 -1.893 1.00 0.00 H new ATOM 0 HA TYR A 67 -13.803 -8.696 -1.040 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -12.269 -6.669 -2.747 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -11.651 -8.227 -2.234 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -12.793 -10.344 -3.010 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -13.844 -6.483 -4.568 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -13.916 -11.430 -4.936 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -14.966 -7.569 -6.498 1.00 0.00 H new ATOM 0 HH TYR A 67 -15.514 -9.485 -7.502 1.00 0.00 H new ATOM 1111 N PRO A 68 -13.224 -7.364 1.093 1.00 0.00 N ATOM 1112 CA PRO A 68 -12.630 -6.794 2.336 1.00 0.00 C ATOM 1113 C PRO A 68 -11.137 -7.124 2.450 1.00 0.00 C ATOM 1114 O PRO A 68 -10.686 -8.180 2.053 1.00 0.00 O ATOM 1115 CB PRO A 68 -13.429 -7.459 3.478 1.00 0.00 C ATOM 1116 CG PRO A 68 -14.677 -7.974 2.836 1.00 0.00 C ATOM 1117 CD PRO A 68 -14.304 -8.311 1.396 1.00 0.00 C ATOM 0 HA PRO A 68 -12.691 -5.706 2.357 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -12.860 -8.267 3.937 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -13.659 -6.743 4.267 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -15.049 -8.855 3.359 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -15.469 -7.226 2.869 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -13.971 -9.344 1.299 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -15.151 -8.184 0.721 1.00 0.00 H new ATOM 1125 N PHE A 69 -10.372 -6.212 2.984 1.00 0.00 N ATOM 1126 CA PHE A 69 -8.906 -6.456 3.122 1.00 0.00 C ATOM 1127 C PHE A 69 -8.374 -5.775 4.383 1.00 0.00 C ATOM 1128 O PHE A 69 -8.798 -4.692 4.757 1.00 0.00 O ATOM 1129 CB PHE A 69 -8.183 -5.885 1.901 1.00 0.00 C ATOM 1130 CG PHE A 69 -8.384 -4.386 1.839 1.00 0.00 C ATOM 1131 CD1 PHE A 69 -7.506 -3.531 2.517 1.00 0.00 C ATOM 1132 CD2 PHE A 69 -9.445 -3.852 1.094 1.00 0.00 C ATOM 1133 CE1 PHE A 69 -7.688 -2.144 2.451 1.00 0.00 C ATOM 1134 CE2 PHE A 69 -9.624 -2.465 1.028 1.00 0.00 C ATOM 1135 CZ PHE A 69 -8.745 -1.612 1.705 1.00 0.00 C ATOM 0 H PHE A 69 -10.697 -5.309 3.331 1.00 0.00 H new ATOM 0 HA PHE A 69 -8.730 -7.529 3.194 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -7.119 -6.116 1.956 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -8.564 -6.350 0.992 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -6.688 -3.941 3.091 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -10.124 -4.510 0.572 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -7.012 -1.485 2.976 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -10.441 -2.053 0.454 1.00 0.00 H new ATOM 0 HZ PHE A 69 -8.883 -0.542 1.651 1.00 0.00 H new ATOM 1145 N ILE A 70 -7.436 -6.412 5.031 1.00 0.00 N ATOM 1146 CA ILE A 70 -6.832 -5.833 6.269 1.00 0.00 C ATOM 1147 C ILE A 70 -5.311 -5.986 6.200 1.00 0.00 C ATOM 1148 O ILE A 70 -4.795 -6.977 5.720 1.00 0.00 O ATOM 1149 CB ILE A 70 -7.358 -6.565 7.502 1.00 0.00 C ATOM 1150 CG1 ILE A 70 -8.879 -6.390 7.574 1.00 0.00 C ATOM 1151 CG2 ILE A 70 -6.715 -5.959 8.750 1.00 0.00 C ATOM 1152 CD1 ILE A 70 -9.453 -7.265 8.694 1.00 0.00 C ATOM 0 H ILE A 70 -7.058 -7.318 4.754 1.00 0.00 H new ATOM 0 HA ILE A 70 -7.100 -4.779 6.341 1.00 0.00 H new ATOM 0 HB ILE A 70 -7.114 -7.626 7.442 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -9.125 -5.344 7.756 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -9.331 -6.663 6.620 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -7.084 -6.475 9.636 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -5.632 -6.068 8.691 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -6.970 -4.901 8.813 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -10.534 -7.135 8.739 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -9.221 -8.311 8.494 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -9.012 -6.972 9.647 1.00 0.00 H new ATOM 1164 N LEU A 71 -4.603 -4.997 6.663 1.00 0.00 N ATOM 1165 CA LEU A 71 -3.109 -5.043 6.622 1.00 0.00 C ATOM 1166 C LEU A 71 -2.559 -5.310 8.022 1.00 0.00 C ATOM 1167 O LEU A 71 -2.909 -4.648 8.978 1.00 0.00 O ATOM 1168 CB LEU A 71 -2.585 -3.690 6.131 1.00 0.00 C ATOM 1169 CG LEU A 71 -3.226 -3.352 4.780 1.00 0.00 C ATOM 1170 CD1 LEU A 71 -2.716 -1.991 4.300 1.00 0.00 C ATOM 1171 CD2 LEU A 71 -2.864 -4.433 3.749 1.00 0.00 C ATOM 0 H LEU A 71 -4.995 -4.149 7.073 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.789 -5.840 5.950 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.816 -2.913 6.859 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.500 -3.722 6.033 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.309 -3.314 4.893 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.171 -1.750 3.339 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.981 -1.225 5.029 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.632 -2.027 4.189 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.322 -4.189 2.790 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.781 -4.478 3.633 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.232 -5.400 4.091 1.00 0.00 H new ATOM 1183 N TYR A 72 -1.693 -6.282 8.130 1.00 0.00 N ATOM 1184 CA TYR A 72 -1.084 -6.627 9.455 1.00 0.00 C ATOM 1185 C TYR A 72 0.441 -6.551 9.352 1.00 0.00 C ATOM 1186 O TYR A 72 1.031 -6.872 8.336 1.00 0.00 O ATOM 1187 CB TYR A 72 -1.493 -8.047 9.858 1.00 0.00 C ATOM 1188 CG TYR A 72 -2.967 -8.069 10.195 1.00 0.00 C ATOM 1189 CD1 TYR A 72 -3.414 -7.505 11.396 1.00 0.00 C ATOM 1190 CD2 TYR A 72 -3.885 -8.649 9.310 1.00 0.00 C ATOM 1191 CE1 TYR A 72 -4.777 -7.522 11.715 1.00 0.00 C ATOM 1192 CE2 TYR A 72 -5.249 -8.668 9.630 1.00 0.00 C ATOM 1193 CZ TYR A 72 -5.694 -8.102 10.832 1.00 0.00 C ATOM 1194 OH TYR A 72 -7.038 -8.120 11.145 1.00 0.00 O ATOM 0 H TYR A 72 -1.376 -6.859 7.351 1.00 0.00 H new ATOM 0 HA TYR A 72 -1.437 -5.921 10.206 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -1.284 -8.742 9.045 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -0.908 -8.376 10.717 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -2.706 -7.056 12.077 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -3.542 -9.081 8.382 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -5.120 -7.088 12.642 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -5.957 -9.119 8.950 1.00 0.00 H new ATOM 0 HH TYR A 72 -7.536 -8.559 10.424 1.00 0.00 H new ATOM 1204 N TYR A 73 1.072 -6.110 10.405 1.00 0.00 N ATOM 1205 CA TYR A 73 2.561 -5.984 10.412 1.00 0.00 C ATOM 1206 C TYR A 73 3.091 -6.346 11.808 1.00 0.00 C ATOM 1207 O TYR A 73 3.079 -5.548 12.726 1.00 0.00 O ATOM 1208 CB TYR A 73 2.937 -4.541 10.064 1.00 0.00 C ATOM 1209 CG TYR A 73 4.431 -4.362 10.168 1.00 0.00 C ATOM 1210 CD1 TYR A 73 5.272 -4.912 9.192 1.00 0.00 C ATOM 1211 CD2 TYR A 73 4.977 -3.642 11.237 1.00 0.00 C ATOM 1212 CE1 TYR A 73 6.659 -4.739 9.286 1.00 0.00 C ATOM 1213 CE2 TYR A 73 6.363 -3.469 11.330 1.00 0.00 C ATOM 1214 CZ TYR A 73 7.205 -4.017 10.355 1.00 0.00 C ATOM 1215 OH TYR A 73 8.570 -3.845 10.448 1.00 0.00 O ATOM 0 H TYR A 73 0.616 -5.828 11.272 1.00 0.00 H new ATOM 0 HA TYR A 73 3.001 -6.659 9.678 1.00 0.00 H new ATOM 0 HB2 TYR A 73 2.602 -4.302 9.055 1.00 0.00 H new ATOM 0 HB3 TYR A 73 2.431 -3.851 10.739 1.00 0.00 H new ATOM 0 HD1 TYR A 73 4.851 -5.469 8.368 1.00 0.00 H new ATOM 0 HD2 TYR A 73 4.329 -3.220 11.990 1.00 0.00 H new ATOM 0 HE1 TYR A 73 7.308 -5.163 8.534 1.00 0.00 H new ATOM 0 HE2 TYR A 73 6.783 -2.912 12.155 1.00 0.00 H new ATOM 0 HH TYR A 73 8.780 -3.320 11.248 1.00 0.00 H new ATOM 1225 N GLN A 74 3.553 -7.557 11.952 1.00 0.00 N ATOM 1226 CA GLN A 74 4.099 -8.032 13.262 1.00 0.00 C ATOM 1227 C GLN A 74 3.054 -7.860 14.366 1.00 0.00 C ATOM 1228 O GLN A 74 3.211 -7.080 15.288 1.00 0.00 O ATOM 1229 CB GLN A 74 5.381 -7.263 13.609 1.00 0.00 C ATOM 1230 CG GLN A 74 6.258 -8.110 14.542 1.00 0.00 C ATOM 1231 CD GLN A 74 5.505 -8.383 15.849 1.00 0.00 C ATOM 1232 OE1 GLN A 74 5.185 -7.468 16.580 1.00 0.00 O ATOM 1233 NE2 GLN A 74 5.202 -9.612 16.168 1.00 0.00 N ATOM 0 H GLN A 74 3.577 -8.252 11.206 1.00 0.00 H new ATOM 0 HA GLN A 74 4.341 -9.092 13.180 1.00 0.00 H new ATOM 0 HB2 GLN A 74 5.929 -7.022 12.698 1.00 0.00 H new ATOM 0 HB3 GLN A 74 5.130 -6.317 14.090 1.00 0.00 H new ATOM 0 HG2 GLN A 74 6.519 -9.051 14.057 1.00 0.00 H new ATOM 0 HG3 GLN A 74 7.193 -7.589 14.751 1.00 0.00 H new ATOM 0 HE21 GLN A 74 5.471 -10.380 15.553 1.00 0.00 H new ATOM 0 HE22 GLN A 74 4.696 -9.805 17.032 1.00 0.00 H new ATOM 1242 N LYS A 75 1.991 -8.607 14.273 1.00 0.00 N ATOM 1243 CA LYS A 75 0.912 -8.532 15.301 1.00 0.00 C ATOM 1244 C LYS A 75 0.562 -7.072 15.572 1.00 0.00 C ATOM 1245 O LYS A 75 0.310 -6.673 16.692 1.00 0.00 O ATOM 1246 CB LYS A 75 1.377 -9.218 16.588 1.00 0.00 C ATOM 1247 CG LYS A 75 1.516 -10.724 16.328 1.00 0.00 C ATOM 1248 CD LYS A 75 2.004 -11.423 17.597 1.00 0.00 C ATOM 1249 CE LYS A 75 2.206 -12.912 17.314 1.00 0.00 C ATOM 1250 NZ LYS A 75 0.900 -13.530 16.944 1.00 0.00 N ATOM 0 H LYS A 75 1.820 -9.274 13.521 1.00 0.00 H new ATOM 0 HA LYS A 75 0.022 -9.044 14.933 1.00 0.00 H new ATOM 0 HB2 LYS A 75 2.331 -8.802 16.913 1.00 0.00 H new ATOM 0 HB3 LYS A 75 0.661 -9.039 17.390 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.557 -11.139 16.018 1.00 0.00 H new ATOM 0 HG3 LYS A 75 2.217 -10.899 15.512 1.00 0.00 H new ATOM 0 HD2 LYS A 75 2.939 -10.976 17.934 1.00 0.00 H new ATOM 0 HD3 LYS A 75 1.279 -11.290 18.400 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.925 -13.045 16.506 1.00 0.00 H new ATOM 0 HE3 LYS A 75 2.619 -13.407 18.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 0.779 -14.423 17.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 0.126 -12.880 17.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 0.883 -13.719 15.921 1.00 0.00 H new ATOM 1264 N GLN A 76 0.542 -6.268 14.539 1.00 0.00 N ATOM 1265 CA GLN A 76 0.198 -4.824 14.711 1.00 0.00 C ATOM 1266 C GLN A 76 -0.690 -4.362 13.553 1.00 0.00 C ATOM 1267 O GLN A 76 -0.306 -4.397 12.399 1.00 0.00 O ATOM 1268 CB GLN A 76 1.482 -3.984 14.752 1.00 0.00 C ATOM 1269 CG GLN A 76 1.209 -2.665 15.478 1.00 0.00 C ATOM 1270 CD GLN A 76 0.135 -1.876 14.722 1.00 0.00 C ATOM 1271 OE1 GLN A 76 -1.037 -1.974 15.027 1.00 0.00 O ATOM 1272 NE2 GLN A 76 0.488 -1.096 13.737 1.00 0.00 N ATOM 0 H GLN A 76 0.750 -6.551 13.581 1.00 0.00 H new ATOM 0 HA GLN A 76 -0.342 -4.694 15.649 1.00 0.00 H new ATOM 0 HB2 GLN A 76 2.273 -4.535 15.262 1.00 0.00 H new ATOM 0 HB3 GLN A 76 1.833 -3.787 13.739 1.00 0.00 H new ATOM 0 HG2 GLN A 76 0.880 -2.861 16.498 1.00 0.00 H new ATOM 0 HG3 GLN A 76 2.125 -2.079 15.546 1.00 0.00 H new ATOM 0 HE21 GLN A 76 1.472 -1.013 13.480 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -0.220 -0.570 13.224 1.00 0.00 H new ATOM 1281 N LEU A 77 -1.878 -3.936 13.870 1.00 0.00 N ATOM 1282 CA LEU A 77 -2.821 -3.465 12.820 1.00 0.00 C ATOM 1283 C LEU A 77 -2.297 -2.176 12.192 1.00 0.00 C ATOM 1284 O LEU A 77 -1.905 -1.251 12.876 1.00 0.00 O ATOM 1285 CB LEU A 77 -4.191 -3.203 13.461 1.00 0.00 C ATOM 1286 CG LEU A 77 -5.178 -2.666 12.414 1.00 0.00 C ATOM 1287 CD1 LEU A 77 -5.305 -3.665 11.253 1.00 0.00 C ATOM 1288 CD2 LEU A 77 -6.547 -2.465 13.071 1.00 0.00 C ATOM 0 H LEU A 77 -2.240 -3.893 14.822 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.913 -4.226 12.045 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.578 -4.124 13.896 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -4.088 -2.485 14.275 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.813 -1.715 12.025 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.007 -3.277 10.514 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.330 -3.807 10.787 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -5.669 -4.620 11.633 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -7.252 -2.084 12.333 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.908 -3.418 13.459 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -6.457 -1.750 13.889 1.00 0.00 H new ATOM 1300 N ILE A 78 -2.287 -2.118 10.890 1.00 0.00 N ATOM 1301 CA ILE A 78 -1.792 -0.899 10.181 1.00 0.00 C ATOM 1302 C ILE A 78 -2.961 -0.140 9.557 1.00 0.00 C ATOM 1303 O ILE A 78 -3.015 1.072 9.603 1.00 0.00 O ATOM 1304 CB ILE A 78 -0.822 -1.331 9.079 1.00 0.00 C ATOM 1305 CG1 ILE A 78 0.375 -2.077 9.714 1.00 0.00 C ATOM 1306 CG2 ILE A 78 -0.334 -0.096 8.311 1.00 0.00 C ATOM 1307 CD1 ILE A 78 1.434 -1.081 10.215 1.00 0.00 C ATOM 0 H ILE A 78 -2.604 -2.870 10.278 1.00 0.00 H new ATOM 0 HA ILE A 78 -1.288 -0.245 10.893 1.00 0.00 H new ATOM 0 HB ILE A 78 -1.328 -2.000 8.383 1.00 0.00 H new ATOM 0 HG12 ILE A 78 0.027 -2.693 10.543 1.00 0.00 H new ATOM 0 HG13 ILE A 78 0.820 -2.750 8.981 1.00 0.00 H new ATOM 0 HG21 ILE A 78 0.357 -0.405 7.526 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -1.187 0.415 7.863 1.00 0.00 H new ATOM 0 HG23 ILE A 78 0.175 0.581 8.997 1.00 0.00 H new ATOM 0 HD11 ILE A 78 2.267 -1.627 10.658 1.00 0.00 H new ATOM 0 HD12 ILE A 78 1.796 -0.483 9.378 1.00 0.00 H new ATOM 0 HD13 ILE A 78 0.991 -0.425 10.964 1.00 0.00 H new ATOM 1319 N ALA A 79 -3.890 -0.835 8.965 1.00 0.00 N ATOM 1320 CA ALA A 79 -5.040 -0.124 8.336 1.00 0.00 C ATOM 1321 C ALA A 79 -6.166 -1.103 8.005 1.00 0.00 C ATOM 1322 O ALA A 79 -5.962 -2.295 7.881 1.00 0.00 O ATOM 1323 CB ALA A 79 -4.573 0.558 7.049 1.00 0.00 C ATOM 0 H ALA A 79 -3.906 -1.852 8.889 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.416 0.619 9.040 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -5.412 1.078 6.588 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.786 1.275 7.282 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.188 -0.192 6.359 1.00 0.00 H new ATOM 1329 N ILE A 80 -7.352 -0.584 7.856 1.00 0.00 N ATOM 1330 CA ILE A 80 -8.530 -1.443 7.521 1.00 0.00 C ATOM 1331 C ILE A 80 -9.328 -0.788 6.393 1.00 0.00 C ATOM 1332 O ILE A 80 -9.500 0.415 6.354 1.00 0.00 O ATOM 1333 CB ILE A 80 -9.430 -1.591 8.746 1.00 0.00 C ATOM 1334 CG1 ILE A 80 -8.668 -2.336 9.843 1.00 0.00 C ATOM 1335 CG2 ILE A 80 -10.680 -2.382 8.363 1.00 0.00 C ATOM 1336 CD1 ILE A 80 -9.458 -2.284 11.154 1.00 0.00 C ATOM 0 H ILE A 80 -7.561 0.410 7.952 1.00 0.00 H new ATOM 0 HA ILE A 80 -8.179 -2.426 7.208 1.00 0.00 H new ATOM 0 HB ILE A 80 -9.722 -0.606 9.110 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -8.507 -3.372 9.546 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -7.684 -1.888 9.983 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -11.324 -2.489 9.236 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -11.219 -1.853 7.577 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -10.390 -3.369 8.003 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -8.909 -2.817 11.931 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -9.596 -1.245 11.455 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -10.432 -2.753 11.011 1.00 0.00 H new ATOM 1348 N GLY A 81 -9.816 -1.580 5.485 1.00 0.00 N ATOM 1349 CA GLY A 81 -10.605 -1.011 4.357 1.00 0.00 C ATOM 1350 C GLY A 81 -11.129 -2.140 3.469 1.00 0.00 C ATOM 1351 O GLY A 81 -10.610 -3.240 3.465 1.00 0.00 O ATOM 0 H GLY A 81 -9.705 -2.594 5.472 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -11.438 -0.424 4.744 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -9.983 -0.334 3.771 1.00 0.00 H new ATOM 1355 N PHE A 82 -12.165 -1.862 2.725 1.00 0.00 N ATOM 1356 CA PHE A 82 -12.759 -2.899 1.823 1.00 0.00 C ATOM 1357 C PHE A 82 -13.094 -2.268 0.472 1.00 0.00 C ATOM 1358 O PHE A 82 -13.353 -1.086 0.369 1.00 0.00 O ATOM 1359 CB PHE A 82 -14.033 -3.476 2.458 1.00 0.00 C ATOM 1360 CG PHE A 82 -15.061 -2.388 2.681 1.00 0.00 C ATOM 1361 CD1 PHE A 82 -15.029 -1.628 3.859 1.00 0.00 C ATOM 1362 CD2 PHE A 82 -16.053 -2.148 1.722 1.00 0.00 C ATOM 1363 CE1 PHE A 82 -15.987 -0.631 4.075 1.00 0.00 C ATOM 1364 CE2 PHE A 82 -17.011 -1.149 1.939 1.00 0.00 C ATOM 1365 CZ PHE A 82 -16.978 -0.391 3.115 1.00 0.00 C ATOM 0 H PHE A 82 -12.631 -0.955 2.701 1.00 0.00 H new ATOM 0 HA PHE A 82 -12.039 -3.705 1.677 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -14.449 -4.249 1.812 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -13.788 -3.952 3.408 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -14.265 -1.812 4.600 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -16.080 -2.733 0.815 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -15.962 -0.046 4.983 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -17.775 -0.964 1.199 1.00 0.00 H new ATOM 0 HZ PHE A 82 -17.717 0.379 3.282 1.00 0.00 H new ATOM 1375 N ILE A 83 -13.074 -3.061 -0.565 1.00 0.00 N ATOM 1376 CA ILE A 83 -13.376 -2.532 -1.926 1.00 0.00 C ATOM 1377 C ILE A 83 -14.878 -2.651 -2.197 1.00 0.00 C ATOM 1378 O ILE A 83 -15.464 -3.711 -2.102 1.00 0.00 O ATOM 1379 CB ILE A 83 -12.590 -3.347 -2.961 1.00 0.00 C ATOM 1380 CG1 ILE A 83 -11.089 -3.170 -2.697 1.00 0.00 C ATOM 1381 CG2 ILE A 83 -12.923 -2.845 -4.369 1.00 0.00 C ATOM 1382 CD1 ILE A 83 -10.288 -4.150 -3.560 1.00 0.00 C ATOM 0 H ILE A 83 -12.860 -4.058 -0.528 1.00 0.00 H new ATOM 0 HA ILE A 83 -13.086 -1.483 -1.992 1.00 0.00 H new ATOM 0 HB ILE A 83 -12.859 -4.400 -2.882 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -10.790 -2.146 -2.921 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -10.874 -3.341 -1.642 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -12.364 -3.425 -5.104 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -13.991 -2.960 -4.553 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -12.651 -1.793 -4.454 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -9.223 -4.018 -3.367 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -10.578 -5.172 -3.314 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -10.492 -3.958 -4.613 1.00 0.00 H new ATOM 1394 N ASP A 84 -15.497 -1.545 -2.505 1.00 0.00 N ATOM 1395 CA ASP A 84 -16.968 -1.533 -2.759 1.00 0.00 C ATOM 1396 C ASP A 84 -17.272 -1.870 -4.221 1.00 0.00 C ATOM 1397 O ASP A 84 -16.388 -2.073 -5.031 1.00 0.00 O ATOM 1398 CB ASP A 84 -17.519 -0.138 -2.441 1.00 0.00 C ATOM 1399 CG ASP A 84 -16.939 0.357 -1.115 1.00 0.00 C ATOM 1400 OD1 ASP A 84 -16.237 -0.410 -0.473 1.00 0.00 O ATOM 1401 OD2 ASP A 84 -17.200 1.494 -0.760 1.00 0.00 O ATOM 0 H ASP A 84 -15.041 -0.637 -2.593 1.00 0.00 H new ATOM 0 HA ASP A 84 -17.438 -2.283 -2.123 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -17.263 0.556 -3.242 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -18.607 -0.171 -2.383 1.00 0.00 H new ATOM 1406 N GLU A 85 -18.532 -1.930 -4.547 1.00 0.00 N ATOM 1407 CA GLU A 85 -18.953 -2.256 -5.942 1.00 0.00 C ATOM 1408 C GLU A 85 -18.455 -1.174 -6.905 1.00 0.00 C ATOM 1409 O GLU A 85 -18.212 -1.421 -8.070 1.00 0.00 O ATOM 1410 CB GLU A 85 -20.482 -2.324 -5.997 1.00 0.00 C ATOM 1411 CG GLU A 85 -20.922 -2.791 -7.384 1.00 0.00 C ATOM 1412 CD GLU A 85 -22.445 -2.925 -7.428 1.00 0.00 C ATOM 1413 OE1 GLU A 85 -23.055 -2.928 -6.372 1.00 0.00 O ATOM 1414 OE2 GLU A 85 -22.978 -3.023 -8.523 1.00 0.00 O ATOM 0 H GLU A 85 -19.301 -1.765 -3.898 1.00 0.00 H new ATOM 0 HA GLU A 85 -18.527 -3.215 -6.236 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -20.854 -3.010 -5.236 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -20.908 -1.345 -5.779 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -20.589 -2.080 -8.140 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -20.457 -3.748 -7.620 1.00 0.00 H new ATOM 1421 N ASN A 86 -18.303 0.030 -6.423 1.00 0.00 N ATOM 1422 CA ASN A 86 -17.820 1.143 -7.298 1.00 0.00 C ATOM 1423 C ASN A 86 -16.290 1.152 -7.305 1.00 0.00 C ATOM 1424 O ASN A 86 -15.661 2.164 -7.545 1.00 0.00 O ATOM 1425 CB ASN A 86 -18.343 2.479 -6.757 1.00 0.00 C ATOM 1426 CG ASN A 86 -19.867 2.545 -6.923 1.00 0.00 C ATOM 1427 OD1 ASN A 86 -20.468 1.685 -7.701 1.00 0.00 O flip ATOM 1428 ND2 ASN A 86 -20.518 3.386 -6.338 1.00 0.00 N flip ATOM 0 H ASN A 86 -18.493 0.294 -5.456 1.00 0.00 H new ATOM 0 HA ASN A 86 -18.186 0.998 -8.314 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -18.077 2.585 -5.705 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -17.874 3.306 -7.289 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -20.052 4.059 -5.730 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -21.531 3.419 -6.455 1.00 0.00 H new ATOM 1435 N HIS A 87 -15.695 0.018 -7.027 1.00 0.00 N ATOM 1436 CA HIS A 87 -14.202 -0.081 -7.001 1.00 0.00 C ATOM 1437 C HIS A 87 -13.636 0.943 -6.017 1.00 0.00 C ATOM 1438 O HIS A 87 -12.438 1.108 -5.886 1.00 0.00 O ATOM 1439 CB HIS A 87 -13.641 0.178 -8.408 1.00 0.00 C ATOM 1440 CG HIS A 87 -13.994 -0.977 -9.310 1.00 0.00 C ATOM 1441 ND1 HIS A 87 -15.238 -1.093 -9.913 1.00 0.00 N ATOM 1442 CD2 HIS A 87 -13.276 -2.073 -9.720 1.00 0.00 C ATOM 1443 CE1 HIS A 87 -15.228 -2.223 -10.647 1.00 0.00 C ATOM 1444 NE2 HIS A 87 -14.056 -2.857 -10.563 1.00 0.00 N ATOM 0 H HIS A 87 -16.184 -0.851 -6.815 1.00 0.00 H new ATOM 0 HA HIS A 87 -13.912 -1.082 -6.681 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -14.050 1.105 -8.809 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -12.559 0.301 -8.363 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -12.259 -2.293 -9.431 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -16.066 -2.573 -11.232 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -13.790 -3.729 -11.019 1.00 0.00 H new ATOM 1452 N ASP A 88 -14.498 1.635 -5.324 1.00 0.00 N ATOM 1453 CA ASP A 88 -14.030 2.657 -4.341 1.00 0.00 C ATOM 1454 C ASP A 88 -13.492 1.979 -3.084 1.00 0.00 C ATOM 1455 O ASP A 88 -14.017 0.986 -2.619 1.00 0.00 O ATOM 1456 CB ASP A 88 -15.196 3.574 -3.965 1.00 0.00 C ATOM 1457 CG ASP A 88 -15.555 4.456 -5.161 1.00 0.00 C ATOM 1458 OD1 ASP A 88 -14.746 4.542 -6.072 1.00 0.00 O ATOM 1459 OD2 ASP A 88 -16.627 5.037 -5.148 1.00 0.00 O ATOM 0 H ASP A 88 -15.511 1.537 -5.396 1.00 0.00 H new ATOM 0 HA ASP A 88 -13.231 3.242 -4.796 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -16.059 2.979 -3.666 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -14.925 4.194 -3.111 1.00 0.00 H new ATOM 1464 N MET A 89 -12.446 2.521 -2.533 1.00 0.00 N ATOM 1465 CA MET A 89 -11.846 1.938 -1.297 1.00 0.00 C ATOM 1466 C MET A 89 -12.314 2.732 -0.078 1.00 0.00 C ATOM 1467 O MET A 89 -12.014 3.898 0.083 1.00 0.00 O ATOM 1468 CB MET A 89 -10.320 2.010 -1.405 1.00 0.00 C ATOM 1469 CG MET A 89 -9.847 1.020 -2.471 1.00 0.00 C ATOM 1470 SD MET A 89 -8.046 1.097 -2.605 1.00 0.00 S ATOM 1471 CE MET A 89 -7.875 0.072 -4.088 1.00 0.00 C ATOM 0 H MET A 89 -11.973 3.352 -2.888 1.00 0.00 H new ATOM 0 HA MET A 89 -12.159 0.900 -1.187 1.00 0.00 H new ATOM 0 HB2 MET A 89 -10.009 3.021 -1.666 1.00 0.00 H new ATOM 0 HB3 MET A 89 -9.863 1.774 -0.444 1.00 0.00 H new ATOM 0 HG2 MET A 89 -10.160 0.009 -2.209 1.00 0.00 H new ATOM 0 HG3 MET A 89 -10.305 1.257 -3.432 1.00 0.00 H new ATOM 0 HE1 MET A 89 -6.821 -0.013 -4.352 1.00 0.00 H new ATOM 0 HE2 MET A 89 -8.282 -0.920 -3.893 1.00 0.00 H new ATOM 0 HE3 MET A 89 -8.419 0.532 -4.913 1.00 0.00 H new ATOM 1481 N ASP A 90 -13.057 2.092 0.778 1.00 0.00 N ATOM 1482 CA ASP A 90 -13.572 2.771 2.002 1.00 0.00 C ATOM 1483 C ASP A 90 -12.684 2.413 3.192 1.00 0.00 C ATOM 1484 O ASP A 90 -12.595 1.269 3.598 1.00 0.00 O ATOM 1485 CB ASP A 90 -15.004 2.305 2.272 1.00 0.00 C ATOM 1486 CG ASP A 90 -15.631 3.188 3.348 1.00 0.00 C ATOM 1487 OD1 ASP A 90 -14.906 3.978 3.932 1.00 0.00 O ATOM 1488 OD2 ASP A 90 -16.823 3.063 3.571 1.00 0.00 O ATOM 0 H ASP A 90 -13.334 1.115 0.682 1.00 0.00 H new ATOM 0 HA ASP A 90 -13.562 3.851 1.855 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -15.593 2.355 1.356 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -15.004 1.264 2.595 1.00 0.00 H new ATOM 1493 N PHE A 91 -12.015 3.389 3.741 1.00 0.00 N ATOM 1494 CA PHE A 91 -11.111 3.131 4.902 1.00 0.00 C ATOM 1495 C PHE A 91 -11.815 3.526 6.202 1.00 0.00 C ATOM 1496 O PHE A 91 -12.241 4.648 6.384 1.00 0.00 O ATOM 1497 CB PHE A 91 -9.835 3.962 4.736 1.00 0.00 C ATOM 1498 CG PHE A 91 -9.075 3.453 3.534 1.00 0.00 C ATOM 1499 CD1 PHE A 91 -8.408 2.226 3.602 1.00 0.00 C ATOM 1500 CD2 PHE A 91 -9.042 4.201 2.350 1.00 0.00 C ATOM 1501 CE1 PHE A 91 -7.705 1.747 2.494 1.00 0.00 C ATOM 1502 CE2 PHE A 91 -8.337 3.722 1.238 1.00 0.00 C ATOM 1503 CZ PHE A 91 -7.668 2.495 1.311 1.00 0.00 C ATOM 0 H PHE A 91 -12.055 4.361 3.435 1.00 0.00 H new ATOM 0 HA PHE A 91 -10.858 2.071 4.941 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -10.085 5.015 4.606 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -9.218 3.889 5.631 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -8.436 1.647 4.513 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -9.560 5.147 2.294 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -7.190 0.799 2.550 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -8.310 4.299 0.325 1.00 0.00 H new ATOM 0 HZ PHE A 91 -7.123 2.125 0.455 1.00 0.00 H new ATOM 1513 N LEU A 92 -11.935 2.589 7.101 1.00 0.00 N ATOM 1514 CA LEU A 92 -12.603 2.861 8.409 1.00 0.00 C ATOM 1515 C LEU A 92 -11.534 3.123 9.467 1.00 0.00 C ATOM 1516 O LEU A 92 -11.798 3.696 10.504 1.00 0.00 O ATOM 1517 CB LEU A 92 -13.421 1.632 8.813 1.00 0.00 C ATOM 1518 CG LEU A 92 -14.448 1.315 7.721 1.00 0.00 C ATOM 1519 CD1 LEU A 92 -15.211 0.041 8.096 1.00 0.00 C ATOM 1520 CD2 LEU A 92 -15.435 2.486 7.574 1.00 0.00 C ATOM 0 H LEU A 92 -11.595 1.634 6.985 1.00 0.00 H new ATOM 0 HA LEU A 92 -13.257 3.729 8.322 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -12.761 0.778 8.965 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -13.928 1.816 9.760 1.00 0.00 H new ATOM 0 HG LEU A 92 -13.932 1.165 6.773 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -15.942 -0.187 7.321 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -14.510 -0.789 8.189 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -15.724 0.191 9.046 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -16.162 2.254 6.796 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -15.954 2.646 8.519 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -14.889 3.390 7.302 1.00 0.00 H new ATOM 1532 N TYR A 93 -10.321 2.710 9.212 1.00 0.00 N ATOM 1533 CA TYR A 93 -9.235 2.950 10.203 1.00 0.00 C ATOM 1534 C TYR A 93 -7.890 2.975 9.491 1.00 0.00 C ATOM 1535 O TYR A 93 -7.456 1.988 8.925 1.00 0.00 O ATOM 1536 CB TYR A 93 -9.235 1.842 11.257 1.00 0.00 C ATOM 1537 CG TYR A 93 -8.112 2.085 12.235 1.00 0.00 C ATOM 1538 CD1 TYR A 93 -8.273 3.023 13.260 1.00 0.00 C ATOM 1539 CD2 TYR A 93 -6.912 1.377 12.116 1.00 0.00 C ATOM 1540 CE1 TYR A 93 -7.234 3.255 14.168 1.00 0.00 C ATOM 1541 CE2 TYR A 93 -5.871 1.608 13.025 1.00 0.00 C ATOM 1542 CZ TYR A 93 -6.031 2.547 14.051 1.00 0.00 C ATOM 1543 OH TYR A 93 -5.006 2.777 14.944 1.00 0.00 O ATOM 0 H TYR A 93 -10.037 2.219 8.364 1.00 0.00 H new ATOM 0 HA TYR A 93 -9.406 3.909 10.693 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -10.191 1.822 11.781 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -9.113 0.870 10.779 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -9.200 3.569 13.351 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -6.788 0.653 11.324 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -7.360 3.980 14.959 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -4.944 1.061 12.934 1.00 0.00 H new ATOM 0 HH TYR A 93 -4.479 1.958 15.056 1.00 0.00 H new ATOM 1553 N LEU A 94 -7.232 4.100 9.522 1.00 0.00 N ATOM 1554 CA LEU A 94 -5.900 4.222 8.859 1.00 0.00 C ATOM 1555 C LEU A 94 -4.850 4.588 9.901 1.00 0.00 C ATOM 1556 O LEU A 94 -4.945 5.597 10.573 1.00 0.00 O ATOM 1557 CB LEU A 94 -5.953 5.319 7.788 1.00 0.00 C ATOM 1558 CG LEU A 94 -4.639 5.323 6.997 1.00 0.00 C ATOM 1559 CD1 LEU A 94 -4.477 4.002 6.218 1.00 0.00 C ATOM 1560 CD2 LEU A 94 -4.633 6.503 6.022 1.00 0.00 C ATOM 0 H LEU A 94 -7.562 4.949 9.982 1.00 0.00 H new ATOM 0 HA LEU A 94 -5.641 3.272 8.392 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -6.794 5.146 7.116 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -6.112 6.291 8.255 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.807 5.421 7.694 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -3.540 4.020 5.662 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -4.468 3.166 6.917 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -5.309 3.885 5.524 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -3.699 6.506 5.460 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -5.472 6.409 5.332 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -4.724 7.436 6.579 1.00 0.00 H new ATOM 1572 N HIS A 95 -3.852 3.763 10.038 1.00 0.00 N ATOM 1573 CA HIS A 95 -2.774 4.035 11.031 1.00 0.00 C ATOM 1574 C HIS A 95 -1.409 3.744 10.407 1.00 0.00 C ATOM 1575 O HIS A 95 -1.090 2.623 10.067 1.00 0.00 O ATOM 1576 CB HIS A 95 -2.978 3.138 12.253 1.00 0.00 C ATOM 1577 CG HIS A 95 -1.913 3.429 13.275 1.00 0.00 C ATOM 1578 ND1 HIS A 95 -0.740 4.094 12.958 1.00 0.00 N ATOM 1579 CD2 HIS A 95 -1.830 3.142 14.615 1.00 0.00 C ATOM 1580 CE1 HIS A 95 -0.005 4.185 14.078 1.00 0.00 C ATOM 1581 NE2 HIS A 95 -0.623 3.621 15.121 1.00 0.00 N ATOM 0 H HIS A 95 -3.735 2.904 9.501 1.00 0.00 H new ATOM 0 HA HIS A 95 -2.814 5.082 11.332 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -3.965 3.310 12.682 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -2.937 2.089 11.958 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -2.584 2.624 15.189 1.00 0.00 H new ATOM 0 HE1 HIS A 95 0.966 4.656 14.130 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -0.284 3.555 16.081 1.00 0.00 H new ATOM 1589 N ASN A 96 -0.604 4.759 10.277 1.00 0.00 N ATOM 1590 CA ASN A 96 0.757 4.575 9.703 1.00 0.00 C ATOM 1591 C ASN A 96 1.744 4.341 10.845 1.00 0.00 C ATOM 1592 O ASN A 96 1.689 4.981 11.878 1.00 0.00 O ATOM 1593 CB ASN A 96 1.154 5.829 8.915 1.00 0.00 C ATOM 1594 CG ASN A 96 2.550 5.639 8.324 1.00 0.00 C ATOM 1595 OD1 ASN A 96 3.215 4.665 8.606 1.00 0.00 O ATOM 1596 ND2 ASN A 96 3.022 6.536 7.504 1.00 0.00 N ATOM 0 H ASN A 96 -0.832 5.716 10.546 1.00 0.00 H new ATOM 0 HA ASN A 96 0.767 3.718 9.030 1.00 0.00 H new ATOM 0 HB2 ASN A 96 0.433 6.015 8.119 1.00 0.00 H new ATOM 0 HB3 ASN A 96 1.140 6.702 9.568 1.00 0.00 H new ATOM 0 HD21 ASN A 96 3.951 6.419 7.099 1.00 0.00 H new ATOM 0 HD22 ASN A 96 2.462 7.355 7.267 1.00 0.00 H new ATOM 1603 N THR A 97 2.631 3.407 10.652 1.00 0.00 N ATOM 1604 CA THR A 97 3.645 3.064 11.692 1.00 0.00 C ATOM 1605 C THR A 97 4.137 4.327 12.405 1.00 0.00 C ATOM 1606 O THR A 97 4.553 4.292 13.548 1.00 0.00 O ATOM 1607 CB THR A 97 4.828 2.376 11.005 1.00 0.00 C ATOM 1608 OG1 THR A 97 5.298 3.203 9.947 1.00 0.00 O ATOM 1609 CG2 THR A 97 4.381 1.028 10.439 1.00 0.00 C ATOM 0 H THR A 97 2.699 2.853 9.798 1.00 0.00 H new ATOM 0 HA THR A 97 3.193 2.404 12.433 1.00 0.00 H new ATOM 0 HB THR A 97 5.627 2.214 11.729 1.00 0.00 H new ATOM 0 HG1 THR A 97 4.550 3.717 9.576 1.00 0.00 H new ATOM 0 HG21 THR A 97 5.225 0.541 9.951 1.00 0.00 H new ATOM 0 HG22 THR A 97 4.016 0.396 11.249 1.00 0.00 H new ATOM 0 HG23 THR A 97 3.583 1.185 9.713 1.00 0.00 H new ATOM 1617 N VAL A 98 4.090 5.445 11.732 1.00 0.00 N ATOM 1618 CA VAL A 98 4.547 6.716 12.363 1.00 0.00 C ATOM 1619 C VAL A 98 3.567 7.121 13.460 1.00 0.00 C ATOM 1620 O VAL A 98 3.953 7.429 14.570 1.00 0.00 O ATOM 1621 CB VAL A 98 4.606 7.811 11.299 1.00 0.00 C ATOM 1622 CG1 VAL A 98 5.377 9.019 11.836 1.00 0.00 C ATOM 1623 CG2 VAL A 98 5.311 7.270 10.052 1.00 0.00 C ATOM 0 H VAL A 98 3.755 5.533 10.773 1.00 0.00 H new ATOM 0 HA VAL A 98 5.536 6.575 12.798 1.00 0.00 H new ATOM 0 HB VAL A 98 3.592 8.118 11.044 1.00 0.00 H new ATOM 0 HG11 VAL A 98 5.415 9.795 11.072 1.00 0.00 H new ATOM 0 HG12 VAL A 98 4.875 9.406 12.722 1.00 0.00 H new ATOM 0 HG13 VAL A 98 6.391 8.717 12.097 1.00 0.00 H new ATOM 0 HG21 VAL A 98 5.354 8.050 9.291 1.00 0.00 H new ATOM 0 HG22 VAL A 98 6.323 6.960 10.312 1.00 0.00 H new ATOM 0 HG23 VAL A 98 4.758 6.415 9.664 1.00 0.00 H new ATOM 1633 N MET A 99 2.298 7.105 13.159 1.00 0.00 N ATOM 1634 CA MET A 99 1.288 7.471 14.187 1.00 0.00 C ATOM 1635 C MET A 99 -0.131 7.379 13.586 1.00 0.00 C ATOM 1636 O MET A 99 -0.311 7.555 12.395 1.00 0.00 O ATOM 1637 CB MET A 99 1.535 8.900 14.693 1.00 0.00 C ATOM 1638 CG MET A 99 1.817 9.834 13.516 1.00 0.00 C ATOM 1639 SD MET A 99 2.008 11.524 14.138 1.00 0.00 S ATOM 1640 CE MET A 99 2.154 12.350 12.536 1.00 0.00 C ATOM 0 H MET A 99 1.918 6.854 12.246 1.00 0.00 H new ATOM 0 HA MET A 99 1.376 6.776 15.022 1.00 0.00 H new ATOM 0 HB2 MET A 99 0.665 9.253 15.247 1.00 0.00 H new ATOM 0 HB3 MET A 99 2.378 8.909 15.384 1.00 0.00 H new ATOM 0 HG2 MET A 99 2.721 9.520 12.995 1.00 0.00 H new ATOM 0 HG3 MET A 99 1.001 9.788 12.795 1.00 0.00 H new ATOM 0 HE1 MET A 99 2.282 13.422 12.689 1.00 0.00 H new ATOM 0 HE2 MET A 99 3.017 11.955 12.000 1.00 0.00 H new ATOM 0 HE3 MET A 99 1.251 12.172 11.951 1.00 0.00 H new ATOM 1650 N PRO A 100 -1.135 7.137 14.404 1.00 0.00 N ATOM 1651 CA PRO A 100 -2.551 7.028 13.931 1.00 0.00 C ATOM 1652 C PRO A 100 -2.979 8.231 13.076 1.00 0.00 C ATOM 1653 O PRO A 100 -2.746 9.373 13.415 1.00 0.00 O ATOM 1654 CB PRO A 100 -3.368 6.994 15.238 1.00 0.00 C ATOM 1655 CG PRO A 100 -2.431 6.452 16.267 1.00 0.00 C ATOM 1656 CD PRO A 100 -1.030 6.896 15.853 1.00 0.00 C ATOM 0 HA PRO A 100 -2.695 6.155 13.295 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -3.719 7.989 15.510 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -4.250 6.362 15.136 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -2.681 6.831 17.258 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -2.495 5.365 16.316 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -0.726 7.798 16.385 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -0.288 6.129 16.075 1.00 0.00 H new ATOM 1664 N LEU A 101 -3.611 7.958 11.965 1.00 0.00 N ATOM 1665 CA LEU A 101 -4.076 9.055 11.058 1.00 0.00 C ATOM 1666 C LEU A 101 -5.590 9.208 11.178 1.00 0.00 C ATOM 1667 O LEU A 101 -6.082 10.205 11.662 1.00 0.00 O ATOM 1668 CB LEU A 101 -3.723 8.696 9.614 1.00 0.00 C ATOM 1669 CG LEU A 101 -2.212 8.469 9.485 1.00 0.00 C ATOM 1670 CD1 LEU A 101 -1.878 8.095 8.037 1.00 0.00 C ATOM 1671 CD2 LEU A 101 -1.458 9.751 9.871 1.00 0.00 C ATOM 0 H LEU A 101 -3.828 7.015 11.642 1.00 0.00 H new ATOM 0 HA LEU A 101 -3.590 9.990 11.338 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -4.261 7.798 9.312 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -4.037 9.496 8.944 1.00 0.00 H new ATOM 0 HG LEU A 101 -1.909 7.662 10.152 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -0.804 7.933 7.941 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -2.408 7.182 7.765 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -2.183 8.903 7.373 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -0.385 9.584 9.778 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -1.758 10.563 9.209 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -1.696 10.017 10.901 1.00 0.00 H new ATOM 1683 N LEU A 102 -6.328 8.227 10.724 1.00 0.00 N ATOM 1684 CA LEU A 102 -7.825 8.311 10.789 1.00 0.00 C ATOM 1685 C LEU A 102 -8.367 7.254 11.753 1.00 0.00 C ATOM 1686 O LEU A 102 -8.056 6.084 11.656 1.00 0.00 O ATOM 1687 CB LEU A 102 -8.402 8.069 9.389 1.00 0.00 C ATOM 1688 CG LEU A 102 -7.775 9.060 8.395 1.00 0.00 C ATOM 1689 CD1 LEU A 102 -8.315 8.784 6.988 1.00 0.00 C ATOM 1690 CD2 LEU A 102 -8.123 10.499 8.804 1.00 0.00 C ATOM 0 H LEU A 102 -5.962 7.370 10.310 1.00 0.00 H new ATOM 0 HA LEU A 102 -8.117 9.299 11.145 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -8.201 7.045 9.074 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -9.485 8.190 9.405 1.00 0.00 H new ATOM 0 HG LEU A 102 -6.692 8.937 8.401 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -7.870 9.487 6.283 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -8.061 7.766 6.694 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -9.398 8.903 6.984 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -7.676 11.197 8.096 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -9.206 10.626 8.804 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -7.735 10.697 9.803 1.00 0.00 H new ATOM 1702 N ASP A 103 -9.178 7.677 12.681 1.00 0.00 N ATOM 1703 CA ASP A 103 -9.765 6.723 13.665 1.00 0.00 C ATOM 1704 C ASP A 103 -11.108 7.272 14.162 1.00 0.00 C ATOM 1705 O ASP A 103 -11.165 8.112 15.039 1.00 0.00 O ATOM 1706 CB ASP A 103 -8.803 6.540 14.845 1.00 0.00 C ATOM 1707 CG ASP A 103 -9.351 5.481 15.801 1.00 0.00 C ATOM 1708 OD1 ASP A 103 -10.507 5.121 15.659 1.00 0.00 O ATOM 1709 OD2 ASP A 103 -8.601 5.040 16.659 1.00 0.00 O ATOM 0 H ASP A 103 -9.462 8.649 12.802 1.00 0.00 H new ATOM 0 HA ASP A 103 -9.925 5.756 13.188 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -7.820 6.241 14.481 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -8.674 7.486 15.371 1.00 0.00 H new ATOM 1714 N GLN A 104 -12.188 6.795 13.593 1.00 0.00 N ATOM 1715 CA GLN A 104 -13.547 7.263 14.011 1.00 0.00 C ATOM 1716 C GLN A 104 -14.246 6.143 14.786 1.00 0.00 C ATOM 1717 O GLN A 104 -14.526 5.081 14.266 1.00 0.00 O ATOM 1718 CB GLN A 104 -14.378 7.619 12.770 1.00 0.00 C ATOM 1719 CG GLN A 104 -13.809 8.885 12.123 1.00 0.00 C ATOM 1720 CD GLN A 104 -14.627 9.251 10.877 1.00 0.00 C ATOM 1721 OE1 GLN A 104 -15.840 9.283 10.922 1.00 0.00 O ATOM 1722 NE2 GLN A 104 -14.006 9.532 9.763 1.00 0.00 N ATOM 0 H GLN A 104 -12.186 6.096 12.851 1.00 0.00 H new ATOM 0 HA GLN A 104 -13.449 8.146 14.643 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -14.360 6.794 12.058 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -15.420 7.777 13.049 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -13.830 9.709 12.837 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -12.766 8.726 11.850 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -12.987 9.505 9.726 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -14.540 9.779 8.930 1.00 0.00 H new ATOM 1731 N ARG A 105 -14.522 6.391 16.031 1.00 0.00 N ATOM 1732 CA ARG A 105 -15.209 5.380 16.881 1.00 0.00 C ATOM 1733 C ARG A 105 -16.643 5.178 16.383 1.00 0.00 C ATOM 1734 O ARG A 105 -17.196 4.099 16.462 1.00 0.00 O ATOM 1735 CB ARG A 105 -15.229 5.867 18.332 1.00 0.00 C ATOM 1736 CG ARG A 105 -13.809 5.814 18.904 1.00 0.00 C ATOM 1737 CD ARG A 105 -13.801 6.321 20.351 1.00 0.00 C ATOM 1738 NE ARG A 105 -14.095 7.784 20.367 1.00 0.00 N ATOM 1739 CZ ARG A 105 -14.155 8.435 21.500 1.00 0.00 C ATOM 1740 NH1 ARG A 105 -13.936 7.828 22.633 1.00 0.00 N ATOM 1741 NH2 ARG A 105 -14.429 9.714 21.492 1.00 0.00 N ATOM 0 H ARG A 105 -14.298 7.266 16.506 1.00 0.00 H new ATOM 0 HA ARG A 105 -14.674 4.432 16.824 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -15.615 6.885 18.381 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -15.897 5.244 18.927 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -13.432 4.792 18.867 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -13.141 6.422 18.294 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -14.544 5.783 20.940 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -12.831 6.129 20.810 1.00 0.00 H new ATOM 0 HE ARG A 105 -14.250 8.279 19.489 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -13.714 6.832 22.644 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -13.986 8.349 23.509 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -14.594 10.195 20.608 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -14.478 10.231 22.370 1.00 0.00 H new ATOM 1755 N TYR A 106 -17.249 6.220 15.883 1.00 0.00 N ATOM 1756 CA TYR A 106 -18.655 6.113 15.388 1.00 0.00 C ATOM 1757 C TYR A 106 -18.736 5.043 14.291 1.00 0.00 C ATOM 1758 O TYR A 106 -19.596 4.184 14.298 1.00 0.00 O ATOM 1759 CB TYR A 106 -19.080 7.462 14.798 1.00 0.00 C ATOM 1760 CG TYR A 106 -18.952 8.545 15.848 1.00 0.00 C ATOM 1761 CD1 TYR A 106 -20.003 8.783 16.740 1.00 0.00 C ATOM 1762 CD2 TYR A 106 -17.781 9.313 15.925 1.00 0.00 C ATOM 1763 CE1 TYR A 106 -19.885 9.783 17.713 1.00 0.00 C ATOM 1764 CE2 TYR A 106 -17.664 10.314 16.899 1.00 0.00 C ATOM 1765 CZ TYR A 106 -18.716 10.549 17.792 1.00 0.00 C ATOM 1766 OH TYR A 106 -18.601 11.535 18.751 1.00 0.00 O ATOM 0 H TYR A 106 -16.830 7.146 15.795 1.00 0.00 H new ATOM 0 HA TYR A 106 -19.311 5.839 16.214 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -18.459 7.704 13.936 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -20.109 7.406 14.444 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -20.907 8.195 16.678 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -16.970 9.133 15.234 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -20.696 9.963 18.403 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -16.762 10.904 16.961 1.00 0.00 H new ATOM 0 HH TYR A 106 -17.727 11.971 18.669 1.00 0.00 H new ATOM 1776 N LEU A 107 -17.840 5.103 13.349 1.00 0.00 N ATOM 1777 CA LEU A 107 -17.833 4.108 12.233 1.00 0.00 C ATOM 1778 C LEU A 107 -17.523 2.708 12.771 1.00 0.00 C ATOM 1779 O LEU A 107 -18.082 1.722 12.336 1.00 0.00 O ATOM 1780 CB LEU A 107 -16.758 4.502 11.222 1.00 0.00 C ATOM 1781 CG LEU A 107 -17.108 5.855 10.580 1.00 0.00 C ATOM 1782 CD1 LEU A 107 -15.988 6.280 9.614 1.00 0.00 C ATOM 1783 CD2 LEU A 107 -18.446 5.747 9.818 1.00 0.00 C ATOM 0 H LEU A 107 -17.102 5.805 13.300 1.00 0.00 H new ATOM 0 HA LEU A 107 -18.814 4.098 11.759 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -15.788 4.565 11.716 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -16.674 3.736 10.451 1.00 0.00 H new ATOM 0 HG LEU A 107 -17.207 6.605 11.364 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -16.242 7.239 9.162 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -15.051 6.374 10.162 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -15.877 5.529 8.832 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -18.686 6.710 9.366 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -18.360 4.991 9.037 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -19.238 5.464 10.511 1.00 0.00 H new ATOM 1795 N LEU A 108 -16.611 2.619 13.698 1.00 0.00 N ATOM 1796 CA LEU A 108 -16.233 1.286 14.258 1.00 0.00 C ATOM 1797 C LEU A 108 -17.196 0.894 15.381 1.00 0.00 C ATOM 1798 O LEU A 108 -17.098 -0.172 15.952 1.00 0.00 O ATOM 1799 CB LEU A 108 -14.806 1.355 14.810 1.00 0.00 C ATOM 1800 CG LEU A 108 -13.829 1.753 13.692 1.00 0.00 C ATOM 1801 CD1 LEU A 108 -12.415 1.872 14.273 1.00 0.00 C ATOM 1802 CD2 LEU A 108 -13.842 0.690 12.579 1.00 0.00 C ATOM 0 H LEU A 108 -16.108 3.413 14.095 1.00 0.00 H new ATOM 0 HA LEU A 108 -16.287 0.538 13.467 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -14.756 2.080 15.623 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -14.521 0.389 15.226 1.00 0.00 H new ATOM 0 HG LEU A 108 -14.135 2.711 13.271 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -11.719 2.154 13.483 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -12.405 2.633 15.054 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -12.114 0.914 14.696 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -13.147 0.980 11.791 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -13.541 -0.273 12.992 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -14.847 0.609 12.165 1.00 0.00 H new