USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 700 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 42 HIS : no HE2:sc= -6.19! C(o=-9.3!,f=-9.9!) USER MOD Set 1.2: A 78 GLN : amide:sc= -3.14! C(o=-9.3!,f=-9.3!) USER MOD Set 2.1: A 45 CYS SG : rot -64:sc= -2.33 USER MOD Set 2.2: A 48 HIS : no HE2:sc= -11.2! C(o=-14!,f=-15!) USER MOD Set 3.1: A 36 ASN : amide:sc= -0.677 X(o=-0.68,f=-0.23) USER MOD Set 3.2: A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 MET CE :methyl -152:sc= -0.181 (180deg=-1.48!) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -118:sc= -0.0071 (180deg=-0.196) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl -159:sc= -2.37! (180deg=-4.11!) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=-0.0077) USER MOD Single : A 70 GLN : amide:sc= -3.99! K(o=-4!,f=-1.1) USER MOD Single : A 71 TYR OH : rot 180:sc= -1.89! USER MOD Single : A 72 SER OG : rot -69:sc= -1.66! USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl 155:sc= -0.234 (180deg=-0.915) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 MET CE :methyl -151:sc= -0.049 (180deg=-0.12) USER MOD Single : A 95 GLN : amide:sc= -5.83! C(o=-5.8!,f=-14!) USER MOD Single : A 112 THR OG1 : rot -129:sc= -1.97! USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 THR OG1 : rot 178:sc= 0.0373 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 TYR OH : rot 180:sc= -0.57 USER MOD Single : A 123 HIS : no HE2:sc= -12.8! C(o=-13!,f=-17!) USER MOD Single : A 126 MET CE :methyl -156:sc= -0.559 (180deg=-2.13!) USER MOD Single : A 131 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.451) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 36 -1.351 -18.734 -12.206 1.00 0.00 N ATOM 2 CA ASN A 36 -0.536 -18.482 -13.430 1.00 0.00 C ATOM 3 C ASN A 36 -1.086 -17.271 -14.184 1.00 0.00 C ATOM 4 O ASN A 36 -1.169 -17.264 -15.396 1.00 0.00 O ATOM 5 CB ASN A 36 -0.686 -19.744 -14.276 1.00 0.00 C ATOM 6 CG ASN A 36 -2.130 -19.854 -14.768 1.00 0.00 C ATOM 7 OD1 ASN A 36 -3.018 -20.182 -14.008 1.00 0.00 O ATOM 8 ND2 ASN A 36 -2.403 -19.586 -16.016 1.00 0.00 N ATOM 0 HA ASN A 36 0.507 -18.271 -13.194 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -0.002 -19.710 -15.124 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -0.422 -20.623 -13.688 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -3.363 -19.652 -16.354 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -1.656 -19.310 -16.654 1.00 0.00 H new ATOM 15 N ALA A 37 -1.459 -16.246 -13.474 1.00 0.00 N ATOM 16 CA ALA A 37 -2.001 -15.034 -14.138 1.00 0.00 C ATOM 17 C ALA A 37 -1.300 -13.792 -13.586 1.00 0.00 C ATOM 18 O ALA A 37 -0.392 -13.888 -12.784 1.00 0.00 O ATOM 19 CB ALA A 37 -3.489 -15.026 -13.789 1.00 0.00 C ATOM 0 H ALA A 37 -1.411 -16.197 -12.456 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.845 -15.035 -15.217 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -3.965 -14.157 -14.244 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -3.956 -15.935 -14.167 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -3.609 -14.980 -12.707 1.00 0.00 H new ATOM 25 N VAL A 38 -1.697 -12.631 -14.018 1.00 0.00 N ATOM 26 CA VAL A 38 -1.035 -11.389 -13.529 1.00 0.00 C ATOM 27 C VAL A 38 -2.058 -10.256 -13.403 1.00 0.00 C ATOM 28 O VAL A 38 -3.064 -10.247 -14.078 1.00 0.00 O ATOM 29 CB VAL A 38 -0.010 -11.067 -14.613 1.00 0.00 C ATOM 30 CG1 VAL A 38 -0.727 -10.941 -15.956 1.00 0.00 C ATOM 31 CG2 VAL A 38 0.705 -9.753 -14.282 1.00 0.00 C ATOM 0 H VAL A 38 -2.451 -12.486 -14.689 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.582 -11.509 -12.545 1.00 0.00 H new ATOM 0 HB VAL A 38 0.729 -11.866 -14.665 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.001 -10.711 -16.736 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.227 -11.881 -16.191 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.466 -10.141 -15.901 1.00 0.00 H new ATOM 0 HG21 VAL A 38 1.435 -9.530 -15.060 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.025 -8.945 -14.227 1.00 0.00 H new ATOM 0 HG23 VAL A 38 1.214 -9.848 -13.323 1.00 0.00 H new ATOM 41 N LYS A 39 -1.793 -9.281 -12.574 1.00 0.00 N ATOM 42 CA LYS A 39 -2.746 -8.135 -12.447 1.00 0.00 C ATOM 43 C LYS A 39 -2.252 -6.967 -13.299 1.00 0.00 C ATOM 44 O LYS A 39 -1.077 -6.656 -13.315 1.00 0.00 O ATOM 45 CB LYS A 39 -2.744 -7.754 -10.965 1.00 0.00 C ATOM 46 CG LYS A 39 -3.256 -8.924 -10.125 1.00 0.00 C ATOM 47 CD LYS A 39 -3.367 -8.484 -8.663 1.00 0.00 C ATOM 48 CE LYS A 39 -3.235 -9.703 -7.747 1.00 0.00 C ATOM 49 NZ LYS A 39 -2.664 -9.173 -6.477 1.00 0.00 N ATOM 0 H LYS A 39 -0.964 -9.227 -11.982 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.749 -8.393 -12.787 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -1.736 -7.484 -10.652 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -3.373 -6.878 -10.805 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -4.228 -9.253 -10.493 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -2.578 -9.773 -10.211 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -2.588 -7.757 -8.432 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -4.324 -7.991 -8.493 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -4.203 -10.176 -7.577 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -2.584 -10.458 -8.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -2.545 -9.952 -5.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -1.740 -8.735 -6.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -3.308 -8.461 -6.077 1.00 0.00 H new ATOM 63 N VAL A 40 -3.128 -6.325 -14.024 1.00 0.00 N ATOM 64 CA VAL A 40 -2.672 -5.192 -14.884 1.00 0.00 C ATOM 65 C VAL A 40 -3.582 -3.964 -14.742 1.00 0.00 C ATOM 66 O VAL A 40 -4.776 -4.073 -14.555 1.00 0.00 O ATOM 67 CB VAL A 40 -2.729 -5.741 -16.310 1.00 0.00 C ATOM 68 CG1 VAL A 40 -2.256 -4.670 -17.293 1.00 0.00 C ATOM 69 CG2 VAL A 40 -1.817 -6.966 -16.418 1.00 0.00 C ATOM 0 H VAL A 40 -4.126 -6.531 -14.060 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.675 -4.854 -14.602 1.00 0.00 H new ATOM 0 HB VAL A 40 -3.754 -6.023 -16.548 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.298 -5.064 -18.308 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.902 -3.795 -17.217 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.231 -4.386 -17.056 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.855 -7.360 -17.434 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.793 -6.679 -16.178 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.152 -7.732 -15.719 1.00 0.00 H new ATOM 79 N ARG A 41 -3.006 -2.795 -14.846 1.00 0.00 N ATOM 80 CA ARG A 41 -3.798 -1.529 -14.742 1.00 0.00 C ATOM 81 C ARG A 41 -3.242 -0.521 -15.753 1.00 0.00 C ATOM 82 O ARG A 41 -2.067 -0.221 -15.745 1.00 0.00 O ATOM 83 CB ARG A 41 -3.576 -1.029 -13.315 1.00 0.00 C ATOM 84 CG ARG A 41 -4.051 -2.086 -12.316 1.00 0.00 C ATOM 85 CD ARG A 41 -4.260 -1.430 -10.950 1.00 0.00 C ATOM 86 NE ARG A 41 -4.684 -2.536 -10.046 1.00 0.00 N ATOM 87 CZ ARG A 41 -4.858 -2.307 -8.772 1.00 0.00 C ATOM 88 NH1 ARG A 41 -4.142 -1.397 -8.169 1.00 0.00 N ATOM 89 NH2 ARG A 41 -5.752 -2.984 -8.102 1.00 0.00 N ATOM 0 H ARG A 41 -2.007 -2.660 -15.001 1.00 0.00 H new ATOM 0 HA ARG A 41 -4.858 -1.671 -14.951 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -2.519 -0.813 -13.156 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.119 -0.097 -13.158 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -4.981 -2.538 -12.661 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -3.316 -2.887 -12.239 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -3.343 -0.960 -10.594 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -5.019 -0.649 -11.000 1.00 0.00 H new ATOM 0 HE ARG A 41 -4.838 -3.472 -10.422 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -3.447 -0.865 -8.693 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -4.278 -1.218 -7.174 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -6.315 -3.692 -8.574 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -5.887 -2.805 -7.107 1.00 0.00 H new ATOM 103 N HIS A 42 -4.054 -0.013 -16.643 1.00 0.00 N ATOM 104 CA HIS A 42 -3.506 0.942 -17.654 1.00 0.00 C ATOM 105 C HIS A 42 -4.420 2.158 -17.874 1.00 0.00 C ATOM 106 O HIS A 42 -5.450 2.307 -17.250 1.00 0.00 O ATOM 107 CB HIS A 42 -3.416 0.117 -18.938 1.00 0.00 C ATOM 108 CG HIS A 42 -4.771 0.031 -19.590 1.00 0.00 C ATOM 109 ND1 HIS A 42 -4.972 0.373 -20.916 1.00 0.00 N ATOM 110 CD2 HIS A 42 -6.003 -0.335 -19.106 1.00 0.00 C ATOM 111 CE1 HIS A 42 -6.282 0.211 -21.184 1.00 0.00 C ATOM 112 NE2 HIS A 42 -6.955 -0.221 -20.114 1.00 0.00 N ATOM 0 H HIS A 42 -5.052 -0.211 -16.715 1.00 0.00 H new ATOM 0 HA HIS A 42 -2.550 1.352 -17.329 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -2.701 0.573 -19.624 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -3.048 -0.884 -18.712 1.00 0.00 H new ATOM 0 HD1 HIS A 42 -4.258 0.690 -21.571 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -6.203 -0.662 -18.096 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -6.733 0.406 -22.146 1.00 0.00 H new ATOM 120 N ILE A 43 -4.041 3.006 -18.798 1.00 0.00 N ATOM 121 CA ILE A 43 -4.864 4.207 -19.128 1.00 0.00 C ATOM 122 C ILE A 43 -5.129 4.223 -20.634 1.00 0.00 C ATOM 123 O ILE A 43 -4.221 4.064 -21.428 1.00 0.00 O ATOM 124 CB ILE A 43 -4.011 5.419 -18.746 1.00 0.00 C ATOM 125 CG1 ILE A 43 -3.661 5.367 -17.261 1.00 0.00 C ATOM 126 CG2 ILE A 43 -4.794 6.701 -19.033 1.00 0.00 C ATOM 127 CD1 ILE A 43 -2.625 6.448 -16.948 1.00 0.00 C ATOM 0 H ILE A 43 -3.184 2.914 -19.344 1.00 0.00 H new ATOM 0 HA ILE A 43 -5.819 4.209 -18.603 1.00 0.00 H new ATOM 0 HB ILE A 43 -3.092 5.406 -19.332 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -4.557 5.520 -16.659 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -3.267 4.384 -17.003 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -4.188 7.566 -18.762 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -5.039 6.748 -20.094 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -5.714 6.704 -18.448 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -2.373 6.414 -15.888 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -1.727 6.274 -17.541 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -3.036 7.428 -17.192 1.00 0.00 H new ATOM 139 N LEU A 44 -6.351 4.408 -21.039 1.00 0.00 N ATOM 140 CA LEU A 44 -6.638 4.426 -22.500 1.00 0.00 C ATOM 141 C LEU A 44 -6.927 5.850 -22.976 1.00 0.00 C ATOM 142 O LEU A 44 -7.781 6.535 -22.449 1.00 0.00 O ATOM 143 CB LEU A 44 -7.867 3.536 -22.682 1.00 0.00 C ATOM 144 CG LEU A 44 -7.745 2.781 -24.007 1.00 0.00 C ATOM 145 CD1 LEU A 44 -8.846 1.724 -24.101 1.00 0.00 C ATOM 146 CD2 LEU A 44 -7.887 3.768 -25.167 1.00 0.00 C ATOM 0 H LEU A 44 -7.158 4.546 -20.430 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.790 4.069 -23.084 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -7.948 2.832 -21.854 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.774 4.141 -22.676 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.772 2.293 -24.057 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -8.756 1.188 -25.046 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -8.747 1.021 -23.274 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -9.821 2.209 -24.050 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.800 3.233 -26.113 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -8.861 4.255 -25.113 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -7.101 4.521 -25.103 1.00 0.00 H new ATOM 158 N CYS A 45 -6.219 6.291 -23.981 1.00 0.00 N ATOM 159 CA CYS A 45 -6.441 7.661 -24.520 1.00 0.00 C ATOM 160 C CYS A 45 -6.414 7.607 -26.051 1.00 0.00 C ATOM 161 O CYS A 45 -5.750 6.776 -26.635 1.00 0.00 O ATOM 162 CB CYS A 45 -5.280 8.498 -23.987 1.00 0.00 C ATOM 163 SG CYS A 45 -5.281 10.117 -24.797 1.00 0.00 S ATOM 0 H CYS A 45 -5.491 5.756 -24.454 1.00 0.00 H new ATOM 0 HA CYS A 45 -7.401 8.083 -24.222 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -5.371 8.620 -22.908 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -4.335 7.988 -24.172 1.00 0.00 H new ATOM 0 HG CYS A 45 -5.070 9.965 -26.071 1.00 0.00 H new ATOM 169 N GLU A 46 -7.135 8.471 -26.705 1.00 0.00 N ATOM 170 CA GLU A 46 -7.152 8.442 -28.194 1.00 0.00 C ATOM 171 C GLU A 46 -5.828 8.980 -28.765 1.00 0.00 C ATOM 172 O GLU A 46 -4.797 8.917 -28.123 1.00 0.00 O ATOM 173 CB GLU A 46 -8.349 9.309 -28.584 1.00 0.00 C ATOM 174 CG GLU A 46 -9.624 8.470 -28.494 1.00 0.00 C ATOM 175 CD GLU A 46 -9.583 7.355 -29.537 1.00 0.00 C ATOM 176 OE1 GLU A 46 -8.947 6.348 -29.274 1.00 0.00 O ATOM 177 OE2 GLU A 46 -10.189 7.526 -30.582 1.00 0.00 O ATOM 0 H GLU A 46 -7.712 9.194 -26.276 1.00 0.00 H new ATOM 0 HA GLU A 46 -7.247 7.434 -28.596 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -8.419 10.172 -27.923 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -8.222 9.693 -29.596 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.720 8.043 -27.496 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.498 9.101 -28.657 1.00 0.00 H new ATOM 184 N LYS A 47 -5.835 9.472 -29.980 1.00 0.00 N ATOM 185 CA LYS A 47 -4.564 9.965 -30.596 1.00 0.00 C ATOM 186 C LYS A 47 -4.416 11.482 -30.481 1.00 0.00 C ATOM 187 O LYS A 47 -5.026 12.236 -31.213 1.00 0.00 O ATOM 188 CB LYS A 47 -4.670 9.546 -32.063 1.00 0.00 C ATOM 189 CG LYS A 47 -3.416 9.981 -32.818 1.00 0.00 C ATOM 190 CD LYS A 47 -3.593 9.680 -34.306 1.00 0.00 C ATOM 191 CE LYS A 47 -2.273 9.933 -35.038 1.00 0.00 C ATOM 192 NZ LYS A 47 -2.551 9.589 -36.460 1.00 0.00 N ATOM 0 H LYS A 47 -6.663 9.553 -30.570 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.690 9.551 -30.094 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.792 8.465 -32.134 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -5.553 9.996 -32.516 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.239 11.046 -32.669 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.543 9.456 -32.430 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.905 8.645 -34.444 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.379 10.308 -34.724 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -1.958 10.972 -34.937 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -1.471 9.316 -34.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.692 9.737 -37.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.842 8.593 -36.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.313 10.197 -36.822 1.00 0.00 H new ATOM 206 N HIS A 48 -3.601 11.934 -29.565 1.00 0.00 N ATOM 207 CA HIS A 48 -3.396 13.407 -29.397 1.00 0.00 C ATOM 208 C HIS A 48 -1.902 13.733 -29.306 1.00 0.00 C ATOM 209 O HIS A 48 -1.491 14.858 -29.506 1.00 0.00 O ATOM 210 CB HIS A 48 -4.085 13.784 -28.084 1.00 0.00 C ATOM 211 CG HIS A 48 -5.349 12.994 -27.938 1.00 0.00 C ATOM 212 ND1 HIS A 48 -6.174 12.729 -29.013 1.00 0.00 N ATOM 213 CD2 HIS A 48 -5.911 12.367 -26.864 1.00 0.00 C ATOM 214 CE1 HIS A 48 -7.177 11.960 -28.570 1.00 0.00 C ATOM 215 NE2 HIS A 48 -7.068 11.710 -27.261 1.00 0.00 N ATOM 0 H HIS A 48 -3.067 11.348 -28.924 1.00 0.00 H new ATOM 0 HA HIS A 48 -3.804 13.959 -30.244 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -3.421 13.586 -27.243 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -4.307 14.851 -28.071 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -6.043 13.059 -29.969 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -5.516 12.380 -25.859 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -7.976 11.587 -29.194 1.00 0.00 H new ATOM 223 N GLY A 49 -1.087 12.762 -28.986 1.00 0.00 N ATOM 224 CA GLY A 49 0.372 13.026 -28.864 1.00 0.00 C ATOM 225 C GLY A 49 0.684 13.364 -27.407 1.00 0.00 C ATOM 226 O GLY A 49 1.647 14.040 -27.105 1.00 0.00 O ATOM 0 H GLY A 49 -1.371 11.799 -28.805 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.943 12.153 -29.181 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.663 13.850 -29.515 1.00 0.00 H new ATOM 230 N LYS A 50 -0.135 12.900 -26.501 1.00 0.00 N ATOM 231 CA LYS A 50 0.096 13.194 -25.060 1.00 0.00 C ATOM 232 C LYS A 50 0.812 12.021 -24.383 1.00 0.00 C ATOM 233 O LYS A 50 0.880 11.939 -23.172 1.00 0.00 O ATOM 234 CB LYS A 50 -1.303 13.390 -24.468 1.00 0.00 C ATOM 235 CG LYS A 50 -1.995 14.563 -25.169 1.00 0.00 C ATOM 236 CD LYS A 50 -3.483 14.571 -24.809 1.00 0.00 C ATOM 237 CE LYS A 50 -3.899 15.976 -24.367 1.00 0.00 C ATOM 238 NZ LYS A 50 -5.281 15.815 -23.835 1.00 0.00 N ATOM 0 H LYS A 50 -0.956 12.328 -26.699 1.00 0.00 H new ATOM 0 HA LYS A 50 0.727 14.071 -24.914 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.892 12.481 -24.590 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -1.233 13.583 -23.397 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.533 15.503 -24.868 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.872 14.478 -26.249 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -4.077 14.259 -25.668 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -3.678 13.855 -24.010 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -3.225 16.366 -23.605 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -3.876 16.676 -25.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -5.638 16.737 -23.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -5.901 15.448 -24.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -5.270 15.148 -23.037 1.00 0.00 H new ATOM 252 N ILE A 51 1.354 11.116 -25.152 1.00 0.00 N ATOM 253 CA ILE A 51 2.071 9.956 -24.545 1.00 0.00 C ATOM 254 C ILE A 51 2.974 10.437 -23.403 1.00 0.00 C ATOM 255 O ILE A 51 2.804 10.061 -22.257 1.00 0.00 O ATOM 256 CB ILE A 51 2.918 9.372 -25.681 1.00 0.00 C ATOM 257 CG1 ILE A 51 2.010 8.872 -26.808 1.00 0.00 C ATOM 258 CG2 ILE A 51 3.747 8.201 -25.154 1.00 0.00 C ATOM 259 CD1 ILE A 51 2.205 9.746 -28.048 1.00 0.00 C ATOM 0 H ILE A 51 1.332 11.129 -26.172 1.00 0.00 H new ATOM 0 HA ILE A 51 1.385 9.220 -24.127 1.00 0.00 H new ATOM 0 HB ILE A 51 3.578 10.150 -26.064 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.242 7.833 -27.042 1.00 0.00 H new ATOM 0 HG13 ILE A 51 0.968 8.902 -26.490 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.348 7.787 -25.964 1.00 0.00 H new ATOM 0 HG22 ILE A 51 4.403 8.549 -24.356 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.082 7.430 -24.766 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.558 9.389 -28.850 1.00 0.00 H new ATOM 0 HD12 ILE A 51 1.951 10.779 -27.809 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.245 9.694 -28.370 1.00 0.00 H new ATOM 271 N MET A 52 3.936 11.263 -23.713 1.00 0.00 N ATOM 272 CA MET A 52 4.865 11.769 -22.660 1.00 0.00 C ATOM 273 C MET A 52 4.125 12.661 -21.660 1.00 0.00 C ATOM 274 O MET A 52 4.438 12.681 -20.487 1.00 0.00 O ATOM 275 CB MET A 52 5.915 12.579 -23.422 1.00 0.00 C ATOM 276 CG MET A 52 5.283 13.872 -23.943 1.00 0.00 C ATOM 277 SD MET A 52 6.424 14.680 -25.093 1.00 0.00 S ATOM 278 CE MET A 52 7.807 14.862 -23.941 1.00 0.00 C ATOM 0 H MET A 52 4.120 11.611 -24.654 1.00 0.00 H new ATOM 0 HA MET A 52 5.305 10.957 -22.082 1.00 0.00 H new ATOM 0 HB2 MET A 52 6.756 12.810 -22.768 1.00 0.00 H new ATOM 0 HB3 MET A 52 6.309 11.994 -24.253 1.00 0.00 H new ATOM 0 HG2 MET A 52 4.340 13.653 -24.444 1.00 0.00 H new ATOM 0 HG3 MET A 52 5.055 14.539 -23.111 1.00 0.00 H new ATOM 0 HE1 MET A 52 8.407 15.726 -24.226 1.00 0.00 H new ATOM 0 HE2 MET A 52 7.423 15.004 -22.931 1.00 0.00 H new ATOM 0 HE3 MET A 52 8.426 13.965 -23.971 1.00 0.00 H new ATOM 288 N GLU A 53 3.155 13.405 -22.110 1.00 0.00 N ATOM 289 CA GLU A 53 2.408 14.299 -21.176 1.00 0.00 C ATOM 290 C GLU A 53 1.637 13.471 -20.142 1.00 0.00 C ATOM 291 O GLU A 53 1.564 13.822 -18.979 1.00 0.00 O ATOM 292 CB GLU A 53 1.445 15.082 -22.070 1.00 0.00 C ATOM 293 CG GLU A 53 0.696 16.122 -21.234 1.00 0.00 C ATOM 294 CD GLU A 53 -0.433 16.729 -22.069 1.00 0.00 C ATOM 295 OE1 GLU A 53 -0.305 16.738 -23.284 1.00 0.00 O ATOM 296 OE2 GLU A 53 -1.406 17.172 -21.483 1.00 0.00 O ATOM 0 H GLU A 53 2.846 13.435 -23.081 1.00 0.00 H new ATOM 0 HA GLU A 53 3.071 14.957 -20.614 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.996 15.574 -22.872 1.00 0.00 H new ATOM 0 HB3 GLU A 53 0.736 14.401 -22.542 1.00 0.00 H new ATOM 0 HG2 GLU A 53 0.289 15.658 -20.336 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.382 16.904 -20.907 1.00 0.00 H new ATOM 303 N ALA A 54 1.057 12.379 -20.558 1.00 0.00 N ATOM 304 CA ALA A 54 0.285 11.534 -19.601 1.00 0.00 C ATOM 305 C ALA A 54 1.215 10.897 -18.564 1.00 0.00 C ATOM 306 O ALA A 54 1.032 11.065 -17.374 1.00 0.00 O ATOM 307 CB ALA A 54 -0.373 10.458 -20.464 1.00 0.00 C ATOM 0 H ALA A 54 1.084 12.035 -21.518 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.447 12.118 -19.043 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.961 9.794 -19.831 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.025 10.930 -21.200 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.397 9.882 -20.978 1.00 0.00 H new ATOM 313 N MET A 55 2.206 10.162 -18.993 1.00 0.00 N ATOM 314 CA MET A 55 3.122 9.521 -18.005 1.00 0.00 C ATOM 315 C MET A 55 3.851 10.588 -17.183 1.00 0.00 C ATOM 316 O MET A 55 4.166 10.386 -16.025 1.00 0.00 O ATOM 317 CB MET A 55 4.096 8.668 -18.839 1.00 0.00 C ATOM 318 CG MET A 55 5.267 9.505 -19.373 1.00 0.00 C ATOM 319 SD MET A 55 6.731 8.446 -19.507 1.00 0.00 S ATOM 320 CE MET A 55 7.212 8.926 -21.184 1.00 0.00 C ATOM 0 H MET A 55 2.420 9.979 -19.973 1.00 0.00 H new ATOM 0 HA MET A 55 2.588 8.902 -17.284 1.00 0.00 H new ATOM 0 HB2 MET A 55 4.481 7.852 -18.227 1.00 0.00 H new ATOM 0 HB3 MET A 55 3.561 8.216 -19.674 1.00 0.00 H new ATOM 0 HG2 MET A 55 5.016 9.927 -20.346 1.00 0.00 H new ATOM 0 HG3 MET A 55 5.467 10.343 -18.705 1.00 0.00 H new ATOM 0 HE1 MET A 55 8.111 8.382 -21.475 1.00 0.00 H new ATOM 0 HE2 MET A 55 6.404 8.689 -21.876 1.00 0.00 H new ATOM 0 HE3 MET A 55 7.411 9.997 -21.213 1.00 0.00 H new ATOM 330 N GLU A 56 4.119 11.723 -17.769 1.00 0.00 N ATOM 331 CA GLU A 56 4.831 12.797 -17.019 1.00 0.00 C ATOM 332 C GLU A 56 3.994 13.261 -15.823 1.00 0.00 C ATOM 333 O GLU A 56 4.516 13.544 -14.762 1.00 0.00 O ATOM 334 CB GLU A 56 5.000 13.937 -18.025 1.00 0.00 C ATOM 335 CG GLU A 56 5.852 15.044 -17.400 1.00 0.00 C ATOM 336 CD GLU A 56 7.335 14.724 -17.606 1.00 0.00 C ATOM 337 OE1 GLU A 56 7.624 13.659 -18.128 1.00 0.00 O ATOM 338 OE2 GLU A 56 8.155 15.549 -17.239 1.00 0.00 O ATOM 0 H GLU A 56 3.876 11.953 -18.733 1.00 0.00 H new ATOM 0 HA GLU A 56 5.786 12.454 -16.622 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.474 13.567 -18.934 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.025 14.331 -18.312 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.610 16.005 -17.854 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.632 15.130 -16.336 1.00 0.00 H new ATOM 345 N LYS A 57 2.701 13.354 -15.986 1.00 0.00 N ATOM 346 CA LYS A 57 1.840 13.815 -14.858 1.00 0.00 C ATOM 347 C LYS A 57 1.633 12.701 -13.823 1.00 0.00 C ATOM 348 O LYS A 57 1.586 12.954 -12.635 1.00 0.00 O ATOM 349 CB LYS A 57 0.507 14.189 -15.509 1.00 0.00 C ATOM 350 CG LYS A 57 0.655 15.522 -16.244 1.00 0.00 C ATOM 351 CD LYS A 57 -0.591 15.777 -17.096 1.00 0.00 C ATOM 352 CE LYS A 57 -0.583 17.224 -17.595 1.00 0.00 C ATOM 353 NZ LYS A 57 -1.090 18.028 -16.448 1.00 0.00 N ATOM 0 H LYS A 57 2.205 13.131 -16.849 1.00 0.00 H new ATOM 0 HA LYS A 57 2.293 14.649 -14.323 1.00 0.00 H new ATOM 0 HB2 LYS A 57 0.199 13.409 -16.206 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -0.272 14.264 -14.750 1.00 0.00 H new ATOM 0 HG2 LYS A 57 0.790 16.332 -15.527 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.543 15.504 -16.876 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -0.613 15.090 -17.942 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.490 15.589 -16.509 1.00 0.00 H new ATOM 0 HE2 LYS A 57 0.420 17.537 -17.884 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -1.219 17.343 -18.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -1.974 18.504 -16.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -1.270 17.402 -15.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -0.381 18.741 -16.183 1.00 0.00 H new ATOM 367 N LEU A 58 1.492 11.477 -14.254 1.00 0.00 N ATOM 368 CA LEU A 58 1.270 10.371 -13.276 1.00 0.00 C ATOM 369 C LEU A 58 2.598 9.869 -12.699 1.00 0.00 C ATOM 370 O LEU A 58 2.620 9.002 -11.848 1.00 0.00 O ATOM 371 CB LEU A 58 0.567 9.268 -14.068 1.00 0.00 C ATOM 372 CG LEU A 58 1.519 8.697 -15.118 1.00 0.00 C ATOM 373 CD1 LEU A 58 2.443 7.666 -14.469 1.00 0.00 C ATOM 374 CD2 LEU A 58 0.706 8.023 -16.225 1.00 0.00 C ATOM 0 H LEU A 58 1.520 11.195 -15.234 1.00 0.00 H new ATOM 0 HA LEU A 58 0.676 10.701 -12.424 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.238 8.477 -13.394 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.325 9.667 -14.551 1.00 0.00 H new ATOM 0 HG LEU A 58 2.118 9.504 -15.540 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.121 7.261 -15.220 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.022 8.143 -13.678 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.846 6.858 -14.045 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.382 7.615 -16.976 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.108 7.217 -15.798 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.047 8.756 -16.691 1.00 0.00 H new ATOM 386 N LYS A 59 3.703 10.404 -13.141 1.00 0.00 N ATOM 387 CA LYS A 59 5.014 9.946 -12.593 1.00 0.00 C ATOM 388 C LYS A 59 4.966 9.934 -11.060 1.00 0.00 C ATOM 389 O LYS A 59 3.971 10.283 -10.458 1.00 0.00 O ATOM 390 CB LYS A 59 6.034 10.971 -13.088 1.00 0.00 C ATOM 391 CG LYS A 59 6.300 10.745 -14.576 1.00 0.00 C ATOM 392 CD LYS A 59 7.791 10.931 -14.865 1.00 0.00 C ATOM 393 CE LYS A 59 7.969 11.520 -16.267 1.00 0.00 C ATOM 394 NZ LYS A 59 9.387 11.235 -16.628 1.00 0.00 N ATOM 0 H LYS A 59 3.757 11.133 -13.852 1.00 0.00 H new ATOM 0 HA LYS A 59 5.266 8.936 -12.915 1.00 0.00 H new ATOM 0 HB2 LYS A 59 5.660 11.981 -12.924 1.00 0.00 H new ATOM 0 HB3 LYS A 59 6.962 10.879 -12.523 1.00 0.00 H new ATOM 0 HG2 LYS A 59 5.986 9.742 -14.864 1.00 0.00 H new ATOM 0 HG3 LYS A 59 5.714 11.445 -15.171 1.00 0.00 H new ATOM 0 HD2 LYS A 59 8.237 11.592 -14.122 1.00 0.00 H new ATOM 0 HD3 LYS A 59 8.309 9.975 -14.792 1.00 0.00 H new ATOM 0 HE2 LYS A 59 7.281 11.062 -16.978 1.00 0.00 H new ATOM 0 HE3 LYS A 59 7.768 12.591 -16.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 9.585 11.609 -17.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 10.019 11.689 -15.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 9.547 10.207 -16.620 1.00 0.00 H new ATOM 408 N SER A 60 6.033 9.534 -10.423 1.00 0.00 N ATOM 409 CA SER A 60 6.040 9.501 -8.931 1.00 0.00 C ATOM 410 C SER A 60 5.653 10.871 -8.365 1.00 0.00 C ATOM 411 O SER A 60 6.060 11.899 -8.867 1.00 0.00 O ATOM 412 CB SER A 60 7.476 9.152 -8.549 1.00 0.00 C ATOM 413 OG SER A 60 7.572 9.050 -7.134 1.00 0.00 O ATOM 0 H SER A 60 6.898 9.229 -10.869 1.00 0.00 H new ATOM 0 HA SER A 60 5.325 8.781 -8.533 1.00 0.00 H new ATOM 0 HB2 SER A 60 7.770 8.211 -9.014 1.00 0.00 H new ATOM 0 HB3 SER A 60 8.159 9.917 -8.918 1.00 0.00 H new ATOM 0 HG SER A 60 8.492 8.824 -6.884 1.00 0.00 H new ATOM 419 N GLY A 61 4.869 10.889 -7.321 1.00 0.00 N ATOM 420 CA GLY A 61 4.454 12.189 -6.720 1.00 0.00 C ATOM 421 C GLY A 61 2.995 12.468 -7.076 1.00 0.00 C ATOM 422 O GLY A 61 2.310 13.205 -6.393 1.00 0.00 O ATOM 0 H GLY A 61 4.498 10.059 -6.858 1.00 0.00 H new ATOM 0 HA2 GLY A 61 4.576 12.158 -5.637 1.00 0.00 H new ATOM 0 HA3 GLY A 61 5.090 12.993 -7.089 1.00 0.00 H new ATOM 426 N MET A 62 2.512 11.886 -8.140 1.00 0.00 N ATOM 427 CA MET A 62 1.097 12.120 -8.541 1.00 0.00 C ATOM 428 C MET A 62 0.271 10.854 -8.330 1.00 0.00 C ATOM 429 O MET A 62 0.767 9.749 -8.437 1.00 0.00 O ATOM 430 CB MET A 62 1.157 12.489 -10.023 1.00 0.00 C ATOM 431 CG MET A 62 -0.236 12.899 -10.505 1.00 0.00 C ATOM 432 SD MET A 62 -0.378 14.704 -10.475 1.00 0.00 S ATOM 433 CE MET A 62 -0.442 14.897 -8.677 1.00 0.00 C ATOM 0 H MET A 62 3.037 11.258 -8.749 1.00 0.00 H new ATOM 0 HA MET A 62 0.625 12.904 -7.949 1.00 0.00 H new ATOM 0 HB2 MET A 62 1.862 13.306 -10.177 1.00 0.00 H new ATOM 0 HB3 MET A 62 1.520 11.642 -10.605 1.00 0.00 H new ATOM 0 HG2 MET A 62 -0.407 12.527 -11.515 1.00 0.00 H new ATOM 0 HG3 MET A 62 -0.999 12.453 -9.867 1.00 0.00 H new ATOM 0 HE1 MET A 62 -0.893 15.858 -8.430 1.00 0.00 H new ATOM 0 HE2 MET A 62 -1.040 14.094 -8.246 1.00 0.00 H new ATOM 0 HE3 MET A 62 0.568 14.856 -8.270 1.00 0.00 H new ATOM 443 N ARG A 63 -0.986 11.008 -8.029 1.00 0.00 N ATOM 444 CA ARG A 63 -1.844 9.806 -7.811 1.00 0.00 C ATOM 445 C ARG A 63 -2.430 9.320 -9.134 1.00 0.00 C ATOM 446 O ARG A 63 -3.319 9.923 -9.707 1.00 0.00 O ATOM 447 CB ARG A 63 -2.961 10.207 -6.835 1.00 0.00 C ATOM 448 CG ARG A 63 -3.401 11.653 -7.063 1.00 0.00 C ATOM 449 CD ARG A 63 -2.686 12.555 -6.052 1.00 0.00 C ATOM 450 NE ARG A 63 -3.463 13.824 -6.032 1.00 0.00 N ATOM 451 CZ ARG A 63 -3.132 14.772 -5.201 1.00 0.00 C ATOM 452 NH1 ARG A 63 -1.876 14.969 -4.905 1.00 0.00 N ATOM 453 NH2 ARG A 63 -4.055 15.520 -4.659 1.00 0.00 N ATOM 0 H ARG A 63 -1.457 11.907 -7.924 1.00 0.00 H new ATOM 0 HA ARG A 63 -1.256 8.986 -7.397 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -3.814 9.540 -6.961 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -2.612 10.088 -5.809 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -3.162 11.964 -8.080 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -4.481 11.741 -6.948 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -2.661 12.095 -5.064 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -1.652 12.733 -6.347 1.00 0.00 H new ATOM 0 HE ARG A 63 -4.252 13.951 -6.666 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -1.155 14.381 -5.324 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -1.615 15.711 -4.255 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -5.037 15.363 -4.886 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -3.794 16.261 -4.009 1.00 0.00 H new ATOM 467 N PHE A 64 -1.925 8.220 -9.608 1.00 0.00 N ATOM 468 CA PHE A 64 -2.419 7.638 -10.886 1.00 0.00 C ATOM 469 C PHE A 64 -3.937 7.789 -10.974 1.00 0.00 C ATOM 470 O PHE A 64 -4.484 8.106 -12.011 1.00 0.00 O ATOM 471 CB PHE A 64 -2.025 6.163 -10.802 1.00 0.00 C ATOM 472 CG PHE A 64 -2.378 5.451 -12.086 1.00 0.00 C ATOM 473 CD1 PHE A 64 -1.497 5.488 -13.173 1.00 0.00 C ATOM 474 CD2 PHE A 64 -3.580 4.739 -12.182 1.00 0.00 C ATOM 475 CE1 PHE A 64 -1.819 4.813 -14.359 1.00 0.00 C ATOM 476 CE2 PHE A 64 -3.900 4.062 -13.366 1.00 0.00 C ATOM 477 CZ PHE A 64 -3.020 4.099 -14.455 1.00 0.00 C ATOM 0 H PHE A 64 -1.179 7.690 -9.158 1.00 0.00 H new ATOM 0 HA PHE A 64 -2.003 8.127 -11.767 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -0.955 6.076 -10.612 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -2.537 5.690 -9.964 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -0.570 6.036 -13.098 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -4.260 4.712 -11.344 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -1.141 4.844 -15.199 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -4.826 3.511 -13.439 1.00 0.00 H new ATOM 0 HZ PHE A 64 -3.267 3.577 -15.368 1.00 0.00 H new ATOM 487 N ASN A 65 -4.624 7.570 -9.885 1.00 0.00 N ATOM 488 CA ASN A 65 -6.105 7.705 -9.903 1.00 0.00 C ATOM 489 C ASN A 65 -6.498 9.032 -10.555 1.00 0.00 C ATOM 490 O ASN A 65 -7.357 9.083 -11.412 1.00 0.00 O ATOM 491 CB ASN A 65 -6.529 7.673 -8.435 1.00 0.00 C ATOM 492 CG ASN A 65 -8.035 7.416 -8.342 1.00 0.00 C ATOM 493 OD1 ASN A 65 -8.508 6.367 -8.731 1.00 0.00 O ATOM 494 ND2 ASN A 65 -8.811 8.334 -7.837 1.00 0.00 N ATOM 0 H ASN A 65 -4.222 7.304 -8.986 1.00 0.00 H new ATOM 0 HA ASN A 65 -6.588 6.913 -10.475 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -5.983 6.892 -7.905 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -6.281 8.619 -7.953 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -9.816 8.171 -7.768 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -8.413 9.215 -7.510 1.00 0.00 H new ATOM 501 N GLU A 66 -5.865 10.108 -10.168 1.00 0.00 N ATOM 502 CA GLU A 66 -6.200 11.422 -10.784 1.00 0.00 C ATOM 503 C GLU A 66 -5.818 11.397 -12.262 1.00 0.00 C ATOM 504 O GLU A 66 -6.562 11.840 -13.115 1.00 0.00 O ATOM 505 CB GLU A 66 -5.361 12.451 -10.024 1.00 0.00 C ATOM 506 CG GLU A 66 -5.872 12.559 -8.588 1.00 0.00 C ATOM 507 CD GLU A 66 -7.285 13.146 -8.588 1.00 0.00 C ATOM 508 OE1 GLU A 66 -7.641 13.785 -9.565 1.00 0.00 O ATOM 509 OE2 GLU A 66 -7.987 12.948 -7.610 1.00 0.00 O ATOM 0 H GLU A 66 -5.135 10.133 -9.456 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.263 11.657 -10.724 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -4.312 12.156 -10.027 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.421 13.421 -10.517 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -5.876 11.576 -8.118 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -5.205 13.190 -8.001 1.00 0.00 H new ATOM 516 N VAL A 67 -4.667 10.866 -12.576 1.00 0.00 N ATOM 517 CA VAL A 67 -4.253 10.799 -14.005 1.00 0.00 C ATOM 518 C VAL A 67 -5.277 9.976 -14.790 1.00 0.00 C ATOM 519 O VAL A 67 -5.650 10.317 -15.893 1.00 0.00 O ATOM 520 CB VAL A 67 -2.886 10.114 -13.995 1.00 0.00 C ATOM 521 CG1 VAL A 67 -2.491 9.711 -15.419 1.00 0.00 C ATOM 522 CG2 VAL A 67 -1.840 11.084 -13.440 1.00 0.00 C ATOM 0 H VAL A 67 -4.000 10.478 -11.909 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.198 11.780 -14.477 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.937 9.222 -13.370 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.516 9.224 -15.402 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.234 9.022 -15.822 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -2.442 10.600 -16.048 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.863 10.600 -13.431 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -1.798 11.973 -14.069 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -2.112 11.371 -12.424 1.00 0.00 H new ATOM 532 N ALA A 68 -5.745 8.897 -14.224 1.00 0.00 N ATOM 533 CA ALA A 68 -6.756 8.069 -14.938 1.00 0.00 C ATOM 534 C ALA A 68 -7.956 8.939 -15.324 1.00 0.00 C ATOM 535 O ALA A 68 -8.433 8.898 -16.440 1.00 0.00 O ATOM 536 CB ALA A 68 -7.177 6.995 -13.934 1.00 0.00 C ATOM 0 H ALA A 68 -5.472 8.555 -13.303 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.362 7.631 -15.855 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -7.923 6.344 -14.389 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -6.307 6.405 -13.647 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -7.601 7.470 -13.050 1.00 0.00 H new ATOM 542 N ALA A 69 -8.447 9.729 -14.405 1.00 0.00 N ATOM 543 CA ALA A 69 -9.616 10.601 -14.715 1.00 0.00 C ATOM 544 C ALA A 69 -9.310 11.488 -15.925 1.00 0.00 C ATOM 545 O ALA A 69 -10.053 11.520 -16.887 1.00 0.00 O ATOM 546 CB ALA A 69 -9.818 11.453 -13.459 1.00 0.00 C ATOM 0 H ALA A 69 -8.088 9.807 -13.453 1.00 0.00 H new ATOM 0 HA ALA A 69 -10.507 10.025 -14.964 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -10.664 12.125 -13.607 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -10.016 10.803 -12.606 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -8.919 12.039 -13.268 1.00 0.00 H new ATOM 552 N GLN A 70 -8.225 12.212 -15.883 1.00 0.00 N ATOM 553 CA GLN A 70 -7.874 13.102 -17.030 1.00 0.00 C ATOM 554 C GLN A 70 -7.580 12.272 -18.287 1.00 0.00 C ATOM 555 O GLN A 70 -7.703 12.752 -19.397 1.00 0.00 O ATOM 556 CB GLN A 70 -6.624 13.855 -16.568 1.00 0.00 C ATOM 557 CG GLN A 70 -6.938 14.666 -15.309 1.00 0.00 C ATOM 558 CD GLN A 70 -8.197 15.496 -15.540 1.00 0.00 C ATOM 559 OE1 GLN A 70 -8.123 16.688 -15.767 1.00 0.00 O ATOM 560 NE2 GLN A 70 -9.359 14.912 -15.488 1.00 0.00 N ATOM 0 H GLN A 70 -7.566 12.227 -15.105 1.00 0.00 H new ATOM 0 HA GLN A 70 -8.686 13.779 -17.293 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -5.819 13.149 -16.365 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -6.275 14.518 -17.360 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -7.081 13.998 -14.459 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -6.099 15.318 -15.065 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -9.419 13.912 -15.297 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -10.210 15.455 -15.638 1.00 0.00 H new ATOM 569 N TYR A 71 -7.203 11.033 -18.129 1.00 0.00 N ATOM 570 CA TYR A 71 -6.915 10.182 -19.321 1.00 0.00 C ATOM 571 C TYR A 71 -7.874 8.990 -19.349 1.00 0.00 C ATOM 572 O TYR A 71 -7.563 7.942 -19.880 1.00 0.00 O ATOM 573 CB TYR A 71 -5.480 9.689 -19.136 1.00 0.00 C ATOM 574 CG TYR A 71 -4.523 10.853 -19.185 1.00 0.00 C ATOM 575 CD1 TYR A 71 -4.536 11.811 -18.168 1.00 0.00 C ATOM 576 CD2 TYR A 71 -3.613 10.968 -20.243 1.00 0.00 C ATOM 577 CE1 TYR A 71 -3.642 12.887 -18.205 1.00 0.00 C ATOM 578 CE2 TYR A 71 -2.717 12.042 -20.281 1.00 0.00 C ATOM 579 CZ TYR A 71 -2.731 13.003 -19.262 1.00 0.00 C ATOM 580 OH TYR A 71 -1.848 14.063 -19.297 1.00 0.00 O ATOM 0 H TYR A 71 -7.082 10.572 -17.227 1.00 0.00 H new ATOM 0 HA TYR A 71 -7.038 10.732 -20.254 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -5.385 9.170 -18.182 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -5.231 8.970 -19.916 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -5.237 11.721 -17.352 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -3.603 10.228 -21.029 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -3.655 13.627 -17.419 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -2.014 12.130 -21.096 1.00 0.00 H new ATOM 0 HH TYR A 71 -1.285 13.993 -20.096 1.00 0.00 H new ATOM 590 N SER A 72 -9.029 9.136 -18.765 1.00 0.00 N ATOM 591 CA SER A 72 -10.001 8.005 -18.739 1.00 0.00 C ATOM 592 C SER A 72 -10.894 8.022 -19.983 1.00 0.00 C ATOM 593 O SER A 72 -11.974 8.579 -19.975 1.00 0.00 O ATOM 594 CB SER A 72 -10.832 8.237 -17.479 1.00 0.00 C ATOM 595 OG SER A 72 -12.026 7.476 -17.563 1.00 0.00 O ATOM 0 H SER A 72 -9.344 9.989 -18.304 1.00 0.00 H new ATOM 0 HA SER A 72 -9.501 7.036 -18.734 1.00 0.00 H new ATOM 0 HB2 SER A 72 -10.263 7.948 -16.595 1.00 0.00 H new ATOM 0 HB3 SER A 72 -11.068 9.296 -17.374 1.00 0.00 H new ATOM 0 HG SER A 72 -12.602 7.847 -18.264 1.00 0.00 H new ATOM 601 N GLU A 73 -10.460 7.406 -21.049 1.00 0.00 N ATOM 602 CA GLU A 73 -11.293 7.378 -22.284 1.00 0.00 C ATOM 603 C GLU A 73 -11.988 6.017 -22.411 1.00 0.00 C ATOM 604 O GLU A 73 -12.642 5.732 -23.392 1.00 0.00 O ATOM 605 CB GLU A 73 -10.309 7.588 -23.435 1.00 0.00 C ATOM 606 CG GLU A 73 -11.065 7.596 -24.764 1.00 0.00 C ATOM 607 CD GLU A 73 -10.958 6.220 -25.422 1.00 0.00 C ATOM 608 OE1 GLU A 73 -10.775 5.251 -24.702 1.00 0.00 O ATOM 609 OE2 GLU A 73 -11.060 6.157 -26.636 1.00 0.00 O ATOM 0 H GLU A 73 -9.565 6.921 -21.118 1.00 0.00 H new ATOM 0 HA GLU A 73 -12.073 8.139 -22.277 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -9.776 8.529 -23.303 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -9.561 6.795 -23.436 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -12.112 7.850 -24.597 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -10.653 8.359 -25.424 1.00 0.00 H new ATOM 616 N ASP A 74 -11.846 5.175 -21.423 1.00 0.00 N ATOM 617 CA ASP A 74 -12.494 3.833 -21.486 1.00 0.00 C ATOM 618 C ASP A 74 -13.354 3.599 -20.245 1.00 0.00 C ATOM 619 O ASP A 74 -13.791 2.496 -19.980 1.00 0.00 O ATOM 620 CB ASP A 74 -11.338 2.835 -21.532 1.00 0.00 C ATOM 621 CG ASP A 74 -10.464 3.009 -20.287 1.00 0.00 C ATOM 622 OD1 ASP A 74 -10.889 3.707 -19.382 1.00 0.00 O ATOM 623 OD2 ASP A 74 -9.386 2.440 -20.261 1.00 0.00 O ATOM 0 H ASP A 74 -11.309 5.358 -20.575 1.00 0.00 H new ATOM 0 HA ASP A 74 -13.152 3.735 -22.349 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -11.724 1.817 -21.579 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -10.743 2.992 -22.432 1.00 0.00 H new ATOM 628 N LYS A 75 -13.610 4.627 -19.484 1.00 0.00 N ATOM 629 CA LYS A 75 -14.452 4.458 -18.267 1.00 0.00 C ATOM 630 C LYS A 75 -15.783 3.800 -18.640 1.00 0.00 C ATOM 631 O LYS A 75 -16.484 3.271 -17.800 1.00 0.00 O ATOM 632 CB LYS A 75 -14.688 5.874 -17.744 1.00 0.00 C ATOM 633 CG LYS A 75 -15.351 6.719 -18.837 1.00 0.00 C ATOM 634 CD LYS A 75 -16.448 7.586 -18.213 1.00 0.00 C ATOM 635 CE LYS A 75 -16.400 8.989 -18.824 1.00 0.00 C ATOM 636 NZ LYS A 75 -17.193 9.841 -17.894 1.00 0.00 N ATOM 0 H LYS A 75 -13.273 5.575 -19.652 1.00 0.00 H new ATOM 0 HA LYS A 75 -13.975 3.823 -17.520 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -15.322 5.845 -16.858 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -13.742 6.325 -17.445 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -14.608 7.349 -19.326 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -15.776 6.072 -19.605 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -17.425 7.135 -18.387 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -16.311 7.643 -17.133 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -15.374 9.347 -18.910 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -16.826 8.997 -19.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -17.206 10.820 -18.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -18.167 9.480 -17.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -16.760 9.819 -16.949 1.00 0.00 H new ATOM 650 N ALA A 76 -16.140 3.837 -19.896 1.00 0.00 N ATOM 651 CA ALA A 76 -17.425 3.223 -20.332 1.00 0.00 C ATOM 652 C ALA A 76 -17.301 1.697 -20.384 1.00 0.00 C ATOM 653 O ALA A 76 -18.274 0.983 -20.246 1.00 0.00 O ATOM 654 CB ALA A 76 -17.673 3.789 -21.730 1.00 0.00 C ATOM 0 H ALA A 76 -15.593 4.268 -20.641 1.00 0.00 H new ATOM 0 HA ALA A 76 -18.242 3.446 -19.646 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -18.605 3.385 -22.126 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -17.742 4.875 -21.676 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -16.849 3.510 -22.387 1.00 0.00 H new ATOM 660 N ARG A 77 -16.117 1.193 -20.579 1.00 0.00 N ATOM 661 CA ARG A 77 -15.945 -0.284 -20.636 1.00 0.00 C ATOM 662 C ARG A 77 -14.853 -0.722 -19.662 1.00 0.00 C ATOM 663 O ARG A 77 -14.573 -1.896 -19.518 1.00 0.00 O ATOM 664 CB ARG A 77 -15.536 -0.577 -22.079 1.00 0.00 C ATOM 665 CG ARG A 77 -16.695 -0.216 -23.008 1.00 0.00 C ATOM 666 CD ARG A 77 -17.501 -1.474 -23.323 1.00 0.00 C ATOM 667 NE ARG A 77 -16.702 -2.184 -24.356 1.00 0.00 N ATOM 668 CZ ARG A 77 -17.299 -2.889 -25.275 1.00 0.00 C ATOM 669 NH1 ARG A 77 -18.159 -2.321 -26.075 1.00 0.00 N ATOM 670 NH2 ARG A 77 -17.033 -4.161 -25.396 1.00 0.00 N ATOM 0 H ARG A 77 -15.263 1.737 -20.701 1.00 0.00 H new ATOM 0 HA ARG A 77 -16.851 -0.821 -20.356 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -14.649 -0.002 -22.343 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -15.278 -1.630 -22.191 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -17.334 0.531 -22.537 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -16.314 0.226 -23.929 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -17.637 -2.090 -22.434 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -18.495 -1.225 -23.693 1.00 0.00 H new ATOM 0 HE ARG A 77 -15.684 -2.119 -24.345 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -18.363 -1.326 -25.981 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -18.627 -2.872 -26.795 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -16.358 -4.603 -24.771 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -17.500 -4.714 -26.115 1.00 0.00 H new ATOM 684 N GLN A 78 -14.231 0.212 -18.995 1.00 0.00 N ATOM 685 CA GLN A 78 -13.152 -0.155 -18.038 1.00 0.00 C ATOM 686 C GLN A 78 -12.599 1.103 -17.355 1.00 0.00 C ATOM 687 O GLN A 78 -12.605 2.181 -17.918 1.00 0.00 O ATOM 688 CB GLN A 78 -12.093 -0.815 -18.916 1.00 0.00 C ATOM 689 CG GLN A 78 -10.896 -1.238 -18.074 1.00 0.00 C ATOM 690 CD GLN A 78 -9.757 -1.693 -18.995 1.00 0.00 C ATOM 691 OE1 GLN A 78 -8.730 -2.139 -18.525 1.00 0.00 O ATOM 692 NE2 GLN A 78 -9.890 -1.602 -20.294 1.00 0.00 N ATOM 0 H GLN A 78 -14.424 1.211 -19.072 1.00 0.00 H new ATOM 0 HA GLN A 78 -13.493 -0.811 -17.237 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -12.518 -1.684 -19.419 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -11.772 -0.122 -19.694 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -10.564 -0.407 -17.451 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -11.179 -2.047 -17.401 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -10.751 -1.228 -20.694 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -9.133 -1.905 -20.907 1.00 0.00 H new ATOM 701 N GLY A 79 -12.129 0.975 -16.141 1.00 0.00 N ATOM 702 CA GLY A 79 -11.589 2.163 -15.419 1.00 0.00 C ATOM 703 C GLY A 79 -10.060 2.146 -15.462 1.00 0.00 C ATOM 704 O GLY A 79 -9.397 2.496 -14.506 1.00 0.00 O ATOM 0 H GLY A 79 -12.096 0.099 -15.620 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -11.964 3.079 -15.876 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -11.933 2.158 -14.385 1.00 0.00 H new ATOM 708 N GLY A 80 -9.495 1.744 -16.565 1.00 0.00 N ATOM 709 CA GLY A 80 -8.010 1.708 -16.669 1.00 0.00 C ATOM 710 C GLY A 80 -7.449 0.674 -15.692 1.00 0.00 C ATOM 711 O GLY A 80 -6.282 0.698 -15.352 1.00 0.00 O ATOM 0 H GLY A 80 -9.997 1.439 -17.399 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -7.713 1.458 -17.688 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -7.597 2.692 -16.449 1.00 0.00 H new ATOM 715 N ASP A 81 -8.268 -0.236 -15.240 1.00 0.00 N ATOM 716 CA ASP A 81 -7.778 -1.271 -14.288 1.00 0.00 C ATOM 717 C ASP A 81 -8.152 -2.667 -14.790 1.00 0.00 C ATOM 718 O ASP A 81 -9.314 -2.996 -14.927 1.00 0.00 O ATOM 719 CB ASP A 81 -8.492 -0.966 -12.972 1.00 0.00 C ATOM 720 CG ASP A 81 -7.888 -1.819 -11.856 1.00 0.00 C ATOM 721 OD1 ASP A 81 -7.175 -2.755 -12.175 1.00 0.00 O ATOM 722 OD2 ASP A 81 -8.150 -1.522 -10.702 1.00 0.00 O ATOM 0 H ASP A 81 -9.255 -0.307 -15.489 1.00 0.00 H new ATOM 0 HA ASP A 81 -6.694 -1.252 -14.177 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -8.394 0.092 -12.729 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -9.558 -1.174 -13.067 1.00 0.00 H new ATOM 727 N LEU A 82 -7.180 -3.493 -15.058 1.00 0.00 N ATOM 728 CA LEU A 82 -7.488 -4.867 -15.543 1.00 0.00 C ATOM 729 C LEU A 82 -7.338 -5.869 -14.399 1.00 0.00 C ATOM 730 O LEU A 82 -6.563 -5.673 -13.484 1.00 0.00 O ATOM 731 CB LEU A 82 -6.461 -5.146 -16.639 1.00 0.00 C ATOM 732 CG LEU A 82 -6.559 -4.066 -17.716 1.00 0.00 C ATOM 733 CD1 LEU A 82 -5.806 -2.816 -17.257 1.00 0.00 C ATOM 734 CD2 LEU A 82 -5.936 -4.587 -19.012 1.00 0.00 C ATOM 0 H LEU A 82 -6.188 -3.277 -14.963 1.00 0.00 H new ATOM 0 HA LEU A 82 -8.509 -4.955 -15.916 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -5.457 -5.162 -16.216 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -6.638 -6.128 -17.077 1.00 0.00 H new ATOM 0 HG LEU A 82 -7.606 -3.816 -17.887 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -5.876 -2.046 -18.025 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -6.246 -2.446 -16.331 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -4.758 -3.064 -17.087 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -6.004 -3.819 -19.783 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -4.889 -4.835 -18.838 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -6.470 -5.479 -19.340 1.00 0.00 H new ATOM 746 N GLY A 83 -8.078 -6.940 -14.439 1.00 0.00 N ATOM 747 CA GLY A 83 -7.980 -7.950 -13.350 1.00 0.00 C ATOM 748 C GLY A 83 -6.780 -8.863 -13.601 1.00 0.00 C ATOM 749 O GLY A 83 -5.650 -8.412 -13.705 1.00 0.00 O ATOM 0 H GLY A 83 -8.746 -7.160 -15.178 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -7.875 -7.451 -12.387 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -8.895 -8.540 -13.305 1.00 0.00 H new ATOM 753 N TRP A 84 -7.021 -10.145 -13.695 1.00 0.00 N ATOM 754 CA TRP A 84 -5.906 -11.104 -13.934 1.00 0.00 C ATOM 755 C TRP A 84 -5.774 -11.412 -15.427 1.00 0.00 C ATOM 756 O TRP A 84 -6.753 -11.513 -16.139 1.00 0.00 O ATOM 757 CB TRP A 84 -6.296 -12.366 -13.165 1.00 0.00 C ATOM 758 CG TRP A 84 -6.188 -12.108 -11.699 1.00 0.00 C ATOM 759 CD1 TRP A 84 -7.080 -11.405 -10.965 1.00 0.00 C ATOM 760 CD2 TRP A 84 -5.142 -12.532 -10.776 1.00 0.00 C ATOM 761 NE1 TRP A 84 -6.651 -11.373 -9.650 1.00 0.00 N ATOM 762 CE2 TRP A 84 -5.461 -12.054 -9.484 1.00 0.00 C ATOM 763 CE3 TRP A 84 -3.962 -13.280 -10.934 1.00 0.00 C ATOM 764 CZ2 TRP A 84 -4.638 -12.307 -8.386 1.00 0.00 C ATOM 765 CZ3 TRP A 84 -3.131 -13.537 -9.833 1.00 0.00 C ATOM 766 CH2 TRP A 84 -3.468 -13.051 -8.561 1.00 0.00 C ATOM 0 H TRP A 84 -7.946 -10.569 -13.616 1.00 0.00 H new ATOM 0 HA TRP A 84 -4.946 -10.703 -13.607 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -7.314 -12.660 -13.419 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -5.645 -13.193 -13.449 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -7.980 -10.944 -11.343 1.00 0.00 H new ATOM 0 HE1 TRP A 84 -7.152 -10.904 -8.896 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -3.694 -13.659 -11.909 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -4.903 -11.931 -7.409 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -2.227 -14.112 -9.966 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -2.824 -13.252 -7.718 1.00 0.00 H new ATOM 777 N MET A 85 -4.572 -11.572 -15.903 1.00 0.00 N ATOM 778 CA MET A 85 -4.380 -11.883 -17.347 1.00 0.00 C ATOM 779 C MET A 85 -3.543 -13.149 -17.502 1.00 0.00 C ATOM 780 O MET A 85 -2.586 -13.364 -16.783 1.00 0.00 O ATOM 781 CB MET A 85 -3.632 -10.683 -17.920 1.00 0.00 C ATOM 782 CG MET A 85 -4.523 -9.448 -17.835 1.00 0.00 C ATOM 783 SD MET A 85 -5.376 -9.204 -19.414 1.00 0.00 S ATOM 784 CE MET A 85 -6.963 -9.921 -18.923 1.00 0.00 C ATOM 0 H MET A 85 -3.714 -11.501 -15.356 1.00 0.00 H new ATOM 0 HA MET A 85 -5.327 -12.055 -17.859 1.00 0.00 H new ATOM 0 HB2 MET A 85 -2.708 -10.518 -17.367 1.00 0.00 H new ATOM 0 HB3 MET A 85 -3.353 -10.874 -18.956 1.00 0.00 H new ATOM 0 HG2 MET A 85 -5.250 -9.567 -17.032 1.00 0.00 H new ATOM 0 HG3 MET A 85 -3.923 -8.570 -17.595 1.00 0.00 H new ATOM 0 HE1 MET A 85 -7.758 -9.502 -19.540 1.00 0.00 H new ATOM 0 HE2 MET A 85 -6.931 -11.002 -19.057 1.00 0.00 H new ATOM 0 HE3 MET A 85 -7.158 -9.691 -17.876 1.00 0.00 H new ATOM 794 N THR A 86 -3.897 -13.990 -18.426 1.00 0.00 N ATOM 795 CA THR A 86 -3.126 -15.246 -18.620 1.00 0.00 C ATOM 796 C THR A 86 -2.847 -15.473 -20.106 1.00 0.00 C ATOM 797 O THR A 86 -1.804 -15.969 -20.485 1.00 0.00 O ATOM 798 CB THR A 86 -4.038 -16.348 -18.074 1.00 0.00 C ATOM 799 OG1 THR A 86 -3.347 -17.590 -18.100 1.00 0.00 O ATOM 800 CG2 THR A 86 -5.298 -16.443 -18.936 1.00 0.00 C ATOM 0 H THR A 86 -4.688 -13.863 -19.057 1.00 0.00 H new ATOM 0 HA THR A 86 -2.159 -15.222 -18.117 1.00 0.00 H new ATOM 0 HB THR A 86 -4.320 -16.112 -17.048 1.00 0.00 H new ATOM 0 HG1 THR A 86 -3.929 -18.296 -17.749 1.00 0.00 H new ATOM 0 HG21 THR A 86 -5.947 -17.228 -18.547 1.00 0.00 H new ATOM 0 HG22 THR A 86 -5.827 -15.490 -18.913 1.00 0.00 H new ATOM 0 HG23 THR A 86 -5.019 -16.679 -19.963 1.00 0.00 H new ATOM 808 N ARG A 87 -3.786 -15.148 -20.949 1.00 0.00 N ATOM 809 CA ARG A 87 -3.590 -15.388 -22.407 1.00 0.00 C ATOM 810 C ARG A 87 -3.657 -14.087 -23.213 1.00 0.00 C ATOM 811 O ARG A 87 -4.338 -13.151 -22.846 1.00 0.00 O ATOM 812 CB ARG A 87 -4.757 -16.294 -22.795 1.00 0.00 C ATOM 813 CG ARG A 87 -4.539 -17.687 -22.205 1.00 0.00 C ATOM 814 CD ARG A 87 -5.891 -18.369 -21.982 1.00 0.00 C ATOM 815 NE ARG A 87 -6.644 -18.166 -23.251 1.00 0.00 N ATOM 816 CZ ARG A 87 -6.969 -19.194 -23.989 1.00 0.00 C ATOM 817 NH1 ARG A 87 -7.350 -20.308 -23.426 1.00 0.00 N ATOM 818 NH2 ARG A 87 -6.911 -19.109 -25.290 1.00 0.00 N ATOM 0 H ARG A 87 -4.679 -14.727 -20.693 1.00 0.00 H new ATOM 0 HA ARG A 87 -2.612 -15.822 -22.613 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -5.694 -15.875 -22.429 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -4.838 -16.356 -23.880 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -3.925 -18.286 -22.878 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -3.998 -17.613 -21.262 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -5.766 -19.430 -21.764 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -6.419 -17.929 -21.136 1.00 0.00 H new ATOM 0 HE ARG A 87 -6.906 -17.225 -23.544 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -7.394 -20.376 -22.409 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -7.604 -21.110 -24.003 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -6.612 -18.240 -25.731 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -7.165 -19.912 -25.865 1.00 0.00 H new ATOM 832 N GLY A 88 -2.978 -14.041 -24.328 1.00 0.00 N ATOM 833 CA GLY A 88 -3.023 -12.823 -25.189 1.00 0.00 C ATOM 834 C GLY A 88 -3.987 -13.104 -26.342 1.00 0.00 C ATOM 835 O GLY A 88 -3.745 -13.967 -27.161 1.00 0.00 O ATOM 0 H GLY A 88 -2.392 -14.797 -24.681 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -3.357 -11.960 -24.613 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -2.029 -12.587 -25.570 1.00 0.00 H new ATOM 839 N SER A 89 -5.093 -12.414 -26.401 1.00 0.00 N ATOM 840 CA SER A 89 -6.068 -12.695 -27.493 1.00 0.00 C ATOM 841 C SER A 89 -6.668 -11.407 -28.062 1.00 0.00 C ATOM 842 O SER A 89 -7.634 -11.441 -28.798 1.00 0.00 O ATOM 843 CB SER A 89 -7.147 -13.539 -26.821 1.00 0.00 C ATOM 844 OG SER A 89 -8.171 -12.687 -26.323 1.00 0.00 O ATOM 0 H SER A 89 -5.362 -11.677 -25.749 1.00 0.00 H new ATOM 0 HA SER A 89 -5.598 -13.198 -28.338 1.00 0.00 H new ATOM 0 HB2 SER A 89 -7.565 -14.250 -27.534 1.00 0.00 H new ATOM 0 HB3 SER A 89 -6.715 -14.121 -26.007 1.00 0.00 H new ATOM 0 HG SER A 89 -8.866 -13.228 -25.893 1.00 0.00 H new ATOM 850 N MET A 90 -6.113 -10.271 -27.741 1.00 0.00 N ATOM 851 CA MET A 90 -6.670 -8.999 -28.288 1.00 0.00 C ATOM 852 C MET A 90 -5.757 -8.457 -29.392 1.00 0.00 C ATOM 853 O MET A 90 -6.194 -7.757 -30.282 1.00 0.00 O ATOM 854 CB MET A 90 -6.730 -8.035 -27.100 1.00 0.00 C ATOM 855 CG MET A 90 -5.338 -7.469 -26.817 1.00 0.00 C ATOM 856 SD MET A 90 -5.291 -6.801 -25.136 1.00 0.00 S ATOM 857 CE MET A 90 -4.759 -8.317 -24.305 1.00 0.00 C ATOM 0 H MET A 90 -5.304 -10.167 -27.128 1.00 0.00 H new ATOM 0 HA MET A 90 -7.655 -9.138 -28.734 1.00 0.00 H new ATOM 0 HB2 MET A 90 -7.425 -7.223 -27.314 1.00 0.00 H new ATOM 0 HB3 MET A 90 -7.107 -8.554 -26.219 1.00 0.00 H new ATOM 0 HG2 MET A 90 -4.586 -8.250 -26.931 1.00 0.00 H new ATOM 0 HG3 MET A 90 -5.098 -6.687 -27.538 1.00 0.00 H new ATOM 0 HE1 MET A 90 -5.138 -8.324 -23.283 1.00 0.00 H new ATOM 0 HE2 MET A 90 -5.148 -9.182 -24.842 1.00 0.00 H new ATOM 0 HE3 MET A 90 -3.670 -8.360 -24.288 1.00 0.00 H new ATOM 867 N VAL A 91 -4.495 -8.780 -29.342 1.00 0.00 N ATOM 868 CA VAL A 91 -3.559 -8.288 -30.392 1.00 0.00 C ATOM 869 C VAL A 91 -2.225 -9.039 -30.305 1.00 0.00 C ATOM 870 O VAL A 91 -1.705 -9.505 -31.298 1.00 0.00 O ATOM 871 CB VAL A 91 -3.382 -6.795 -30.100 1.00 0.00 C ATOM 872 CG1 VAL A 91 -2.761 -6.607 -28.715 1.00 0.00 C ATOM 873 CG2 VAL A 91 -2.474 -6.171 -31.163 1.00 0.00 C ATOM 0 H VAL A 91 -4.071 -9.363 -28.620 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.938 -8.452 -31.401 1.00 0.00 H new ATOM 0 HB VAL A 91 -4.356 -6.305 -30.123 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -2.638 -5.543 -28.513 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.414 -7.046 -27.961 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -1.788 -7.098 -28.683 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.348 -5.108 -30.955 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -1.501 -6.662 -31.144 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.926 -6.297 -32.147 1.00 0.00 H new ATOM 883 N GLY A 92 -1.673 -9.182 -29.127 1.00 0.00 N ATOM 884 CA GLY A 92 -0.383 -9.927 -29.002 1.00 0.00 C ATOM 885 C GLY A 92 0.609 -9.147 -28.132 1.00 0.00 C ATOM 886 O GLY A 92 1.018 -9.612 -27.086 1.00 0.00 O ATOM 0 H GLY A 92 -2.055 -8.819 -28.254 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -0.565 -10.909 -28.565 1.00 0.00 H new ATOM 0 HA3 GLY A 92 0.045 -10.093 -29.991 1.00 0.00 H new ATOM 890 N PRO A 93 0.977 -7.988 -28.607 1.00 0.00 N ATOM 891 CA PRO A 93 1.953 -7.126 -27.883 1.00 0.00 C ATOM 892 C PRO A 93 1.419 -6.667 -26.521 1.00 0.00 C ATOM 893 O PRO A 93 2.159 -6.575 -25.562 1.00 0.00 O ATOM 894 CB PRO A 93 2.144 -5.941 -28.831 1.00 0.00 C ATOM 895 CG PRO A 93 0.903 -5.920 -29.659 1.00 0.00 C ATOM 896 CD PRO A 93 0.523 -7.362 -29.853 1.00 0.00 C ATOM 0 HA PRO A 93 2.881 -7.650 -27.653 1.00 0.00 H new ATOM 0 HB2 PRO A 93 2.269 -5.009 -28.280 1.00 0.00 H new ATOM 0 HB3 PRO A 93 3.032 -6.067 -29.450 1.00 0.00 H new ATOM 0 HG2 PRO A 93 0.107 -5.369 -29.159 1.00 0.00 H new ATOM 0 HG3 PRO A 93 1.078 -5.428 -30.616 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -0.551 -7.481 -29.998 1.00 0.00 H new ATOM 0 HD3 PRO A 93 1.012 -7.795 -30.725 1.00 0.00 H new ATOM 904 N PHE A 94 0.154 -6.369 -26.418 1.00 0.00 N ATOM 905 CA PHE A 94 -0.386 -5.909 -25.104 1.00 0.00 C ATOM 906 C PHE A 94 -0.219 -7.001 -24.039 1.00 0.00 C ATOM 907 O PHE A 94 0.206 -6.741 -22.930 1.00 0.00 O ATOM 908 CB PHE A 94 -1.868 -5.626 -25.354 1.00 0.00 C ATOM 909 CG PHE A 94 -2.475 -5.011 -24.115 1.00 0.00 C ATOM 910 CD1 PHE A 94 -2.834 -5.825 -23.035 1.00 0.00 C ATOM 911 CD2 PHE A 94 -2.680 -3.627 -24.048 1.00 0.00 C ATOM 912 CE1 PHE A 94 -3.397 -5.256 -21.886 1.00 0.00 C ATOM 913 CE2 PHE A 94 -3.244 -3.058 -22.900 1.00 0.00 C ATOM 914 CZ PHE A 94 -3.602 -3.873 -21.819 1.00 0.00 C ATOM 0 H PHE A 94 -0.525 -6.422 -27.177 1.00 0.00 H new ATOM 0 HA PHE A 94 0.140 -5.028 -24.735 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -1.983 -4.951 -26.202 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -2.389 -6.549 -25.608 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -2.677 -6.892 -23.088 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -2.403 -2.999 -24.882 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -3.673 -5.884 -21.052 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -3.403 -1.991 -22.848 1.00 0.00 H new ATOM 0 HZ PHE A 94 -4.037 -3.434 -20.933 1.00 0.00 H new ATOM 924 N GLN A 95 -0.556 -8.221 -24.365 1.00 0.00 N ATOM 925 CA GLN A 95 -0.426 -9.329 -23.371 1.00 0.00 C ATOM 926 C GLN A 95 1.045 -9.725 -23.186 1.00 0.00 C ATOM 927 O GLN A 95 1.498 -9.975 -22.085 1.00 0.00 O ATOM 928 CB GLN A 95 -1.221 -10.490 -23.981 1.00 0.00 C ATOM 929 CG GLN A 95 -1.287 -11.657 -22.991 1.00 0.00 C ATOM 930 CD GLN A 95 -0.153 -12.645 -23.285 1.00 0.00 C ATOM 931 OE1 GLN A 95 0.949 -12.246 -23.602 1.00 0.00 O ATOM 932 NE2 GLN A 95 -0.378 -13.927 -23.192 1.00 0.00 N ATOM 0 H GLN A 95 -0.916 -8.499 -25.278 1.00 0.00 H new ATOM 0 HA GLN A 95 -0.795 -9.043 -22.386 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -2.228 -10.159 -24.233 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -0.751 -10.816 -24.909 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -1.204 -11.286 -21.970 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -2.251 -12.160 -23.070 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -1.303 -14.264 -22.926 1.00 0.00 H new ATOM 0 HE22 GLN A 95 0.371 -14.592 -23.385 1.00 0.00 H new ATOM 941 N GLU A 96 1.788 -9.803 -24.257 1.00 0.00 N ATOM 942 CA GLU A 96 3.223 -10.208 -24.152 1.00 0.00 C ATOM 943 C GLU A 96 4.043 -9.179 -23.365 1.00 0.00 C ATOM 944 O GLU A 96 4.908 -9.532 -22.592 1.00 0.00 O ATOM 945 CB GLU A 96 3.713 -10.287 -25.596 1.00 0.00 C ATOM 946 CG GLU A 96 5.167 -10.762 -25.621 1.00 0.00 C ATOM 947 CD GLU A 96 5.561 -11.113 -27.056 1.00 0.00 C ATOM 948 OE1 GLU A 96 4.767 -10.856 -27.945 1.00 0.00 O ATOM 949 OE2 GLU A 96 6.650 -11.632 -27.243 1.00 0.00 O ATOM 0 H GLU A 96 1.464 -9.604 -25.203 1.00 0.00 H new ATOM 0 HA GLU A 96 3.334 -11.152 -23.619 1.00 0.00 H new ATOM 0 HB2 GLU A 96 3.086 -10.973 -26.166 1.00 0.00 H new ATOM 0 HB3 GLU A 96 3.631 -9.310 -26.072 1.00 0.00 H new ATOM 0 HG2 GLU A 96 5.823 -9.983 -25.232 1.00 0.00 H new ATOM 0 HG3 GLU A 96 5.288 -11.632 -24.976 1.00 0.00 H new ATOM 956 N ALA A 97 3.794 -7.914 -23.559 1.00 0.00 N ATOM 957 CA ALA A 97 4.583 -6.884 -22.817 1.00 0.00 C ATOM 958 C ALA A 97 4.160 -6.850 -21.346 1.00 0.00 C ATOM 959 O ALA A 97 4.982 -6.922 -20.451 1.00 0.00 O ATOM 960 CB ALA A 97 4.250 -5.556 -23.502 1.00 0.00 C ATOM 0 H ALA A 97 3.084 -7.548 -24.194 1.00 0.00 H new ATOM 0 HA ALA A 97 5.652 -7.094 -22.835 1.00 0.00 H new ATOM 0 HB1 ALA A 97 4.793 -4.748 -23.012 1.00 0.00 H new ATOM 0 HB2 ALA A 97 4.541 -5.605 -24.551 1.00 0.00 H new ATOM 0 HB3 ALA A 97 3.179 -5.369 -23.431 1.00 0.00 H new ATOM 966 N ALA A 98 2.887 -6.738 -21.089 1.00 0.00 N ATOM 967 CA ALA A 98 2.412 -6.698 -19.677 1.00 0.00 C ATOM 968 C ALA A 98 3.061 -7.820 -18.864 1.00 0.00 C ATOM 969 O ALA A 98 3.460 -7.630 -17.732 1.00 0.00 O ATOM 970 CB ALA A 98 0.900 -6.915 -19.763 1.00 0.00 C ATOM 0 H ALA A 98 2.154 -6.672 -21.796 1.00 0.00 H new ATOM 0 HA ALA A 98 2.667 -5.759 -19.185 1.00 0.00 H new ATOM 0 HB1 ALA A 98 0.473 -6.899 -18.760 1.00 0.00 H new ATOM 0 HB2 ALA A 98 0.452 -6.121 -20.361 1.00 0.00 H new ATOM 0 HB3 ALA A 98 0.697 -7.879 -20.229 1.00 0.00 H new ATOM 976 N PHE A 99 3.152 -8.991 -19.427 1.00 0.00 N ATOM 977 CA PHE A 99 3.755 -10.134 -18.681 1.00 0.00 C ATOM 978 C PHE A 99 5.267 -9.958 -18.502 1.00 0.00 C ATOM 979 O PHE A 99 5.817 -10.315 -17.478 1.00 0.00 O ATOM 980 CB PHE A 99 3.478 -11.362 -19.547 1.00 0.00 C ATOM 981 CG PHE A 99 2.095 -11.886 -19.259 1.00 0.00 C ATOM 982 CD1 PHE A 99 0.974 -11.112 -19.578 1.00 0.00 C ATOM 983 CD2 PHE A 99 1.933 -13.150 -18.680 1.00 0.00 C ATOM 984 CE1 PHE A 99 -0.310 -11.602 -19.317 1.00 0.00 C ATOM 985 CE2 PHE A 99 0.649 -13.639 -18.421 1.00 0.00 C ATOM 986 CZ PHE A 99 -0.472 -12.866 -18.739 1.00 0.00 C ATOM 0 H PHE A 99 2.835 -9.208 -20.372 1.00 0.00 H new ATOM 0 HA PHE A 99 3.332 -10.215 -17.680 1.00 0.00 H new ATOM 0 HB2 PHE A 99 3.566 -11.102 -20.602 1.00 0.00 H new ATOM 0 HB3 PHE A 99 4.219 -12.135 -19.346 1.00 0.00 H new ATOM 0 HD1 PHE A 99 1.100 -10.137 -20.025 1.00 0.00 H new ATOM 0 HD2 PHE A 99 2.799 -13.747 -18.434 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -1.176 -11.005 -19.562 1.00 0.00 H new ATOM 0 HE2 PHE A 99 0.523 -14.614 -17.975 1.00 0.00 H new ATOM 0 HZ PHE A 99 -1.463 -13.245 -18.538 1.00 0.00 H new ATOM 996 N ALA A 100 5.957 -9.464 -19.496 1.00 0.00 N ATOM 997 CA ALA A 100 7.437 -9.338 -19.360 1.00 0.00 C ATOM 998 C ALA A 100 7.978 -8.007 -19.894 1.00 0.00 C ATOM 999 O ALA A 100 8.912 -7.992 -20.668 1.00 0.00 O ATOM 1000 CB ALA A 100 7.985 -10.484 -20.205 1.00 0.00 C ATOM 0 H ALA A 100 5.567 -9.147 -20.383 1.00 0.00 H new ATOM 0 HA ALA A 100 7.733 -9.373 -18.311 1.00 0.00 H new ATOM 0 HB1 ALA A 100 9.074 -10.475 -20.168 1.00 0.00 H new ATOM 0 HB2 ALA A 100 7.616 -11.433 -19.815 1.00 0.00 H new ATOM 0 HB3 ALA A 100 7.656 -10.364 -21.237 1.00 0.00 H new ATOM 1006 N LEU A 101 7.440 -6.892 -19.485 1.00 0.00 N ATOM 1007 CA LEU A 101 7.995 -5.599 -19.986 1.00 0.00 C ATOM 1008 C LEU A 101 9.253 -5.239 -19.186 1.00 0.00 C ATOM 1009 O LEU A 101 9.174 -4.940 -18.010 1.00 0.00 O ATOM 1010 CB LEU A 101 6.899 -4.557 -19.758 1.00 0.00 C ATOM 1011 CG LEU A 101 7.404 -3.189 -20.226 1.00 0.00 C ATOM 1012 CD1 LEU A 101 6.311 -2.482 -21.029 1.00 0.00 C ATOM 1013 CD2 LEU A 101 7.773 -2.339 -19.009 1.00 0.00 C ATOM 0 H LEU A 101 6.655 -6.817 -18.838 1.00 0.00 H new ATOM 0 HA LEU A 101 8.275 -5.652 -21.038 1.00 0.00 H new ATOM 0 HB2 LEU A 101 5.998 -4.833 -20.306 1.00 0.00 H new ATOM 0 HB3 LEU A 101 6.631 -4.518 -18.702 1.00 0.00 H new ATOM 0 HG LEU A 101 8.283 -3.325 -20.856 1.00 0.00 H new ATOM 0 HD11 LEU A 101 6.674 -1.509 -21.360 1.00 0.00 H new ATOM 0 HD12 LEU A 101 6.049 -3.086 -21.898 1.00 0.00 H new ATOM 0 HD13 LEU A 101 5.429 -2.346 -20.402 1.00 0.00 H new ATOM 0 HD21 LEU A 101 8.133 -1.365 -19.341 1.00 0.00 H new ATOM 0 HD22 LEU A 101 6.894 -2.206 -18.378 1.00 0.00 H new ATOM 0 HD23 LEU A 101 8.556 -2.840 -18.439 1.00 0.00 H new ATOM 1138 N VAL A 110 6.742 -1.418 -13.066 1.00 0.00 N ATOM 1139 CA VAL A 110 5.841 -0.305 -12.648 1.00 0.00 C ATOM 1140 C VAL A 110 4.849 -0.013 -13.773 1.00 0.00 C ATOM 1141 O VAL A 110 3.837 -0.675 -13.904 1.00 0.00 O ATOM 1142 CB VAL A 110 6.758 0.893 -12.405 1.00 0.00 C ATOM 1143 CG1 VAL A 110 5.914 2.113 -12.032 1.00 0.00 C ATOM 1144 CG2 VAL A 110 7.719 0.575 -11.263 1.00 0.00 C ATOM 0 HA VAL A 110 5.263 -0.543 -11.755 1.00 0.00 H new ATOM 0 HB VAL A 110 7.326 1.105 -13.311 1.00 0.00 H new ATOM 0 HG11 VAL A 110 6.567 2.968 -11.858 1.00 0.00 H new ATOM 0 HG12 VAL A 110 5.225 2.342 -12.845 1.00 0.00 H new ATOM 0 HG13 VAL A 110 5.347 1.900 -11.126 1.00 0.00 H new ATOM 0 HG21 VAL A 110 8.373 1.429 -11.089 1.00 0.00 H new ATOM 0 HG22 VAL A 110 7.151 0.363 -10.357 1.00 0.00 H new ATOM 0 HG23 VAL A 110 8.321 -0.295 -11.525 1.00 0.00 H new ATOM 1154 N PHE A 111 5.131 0.955 -14.604 1.00 0.00 N ATOM 1155 CA PHE A 111 4.201 1.251 -15.725 1.00 0.00 C ATOM 1156 C PHE A 111 4.985 1.372 -17.038 1.00 0.00 C ATOM 1157 O PHE A 111 6.188 1.542 -17.041 1.00 0.00 O ATOM 1158 CB PHE A 111 3.504 2.563 -15.352 1.00 0.00 C ATOM 1159 CG PHE A 111 4.458 3.725 -15.479 1.00 0.00 C ATOM 1160 CD1 PHE A 111 4.675 4.317 -16.727 1.00 0.00 C ATOM 1161 CD2 PHE A 111 5.114 4.219 -14.345 1.00 0.00 C ATOM 1162 CE1 PHE A 111 5.548 5.403 -16.843 1.00 0.00 C ATOM 1163 CE2 PHE A 111 5.990 5.303 -14.461 1.00 0.00 C ATOM 1164 CZ PHE A 111 6.207 5.897 -15.711 1.00 0.00 C ATOM 0 H PHE A 111 5.959 1.548 -14.554 1.00 0.00 H new ATOM 0 HA PHE A 111 3.468 0.459 -15.878 1.00 0.00 H new ATOM 0 HB2 PHE A 111 2.642 2.720 -16.000 1.00 0.00 H new ATOM 0 HB3 PHE A 111 3.128 2.504 -14.331 1.00 0.00 H new ATOM 0 HD1 PHE A 111 4.168 3.935 -17.601 1.00 0.00 H new ATOM 0 HD2 PHE A 111 4.944 3.763 -13.381 1.00 0.00 H new ATOM 0 HE1 PHE A 111 5.714 5.861 -17.807 1.00 0.00 H new ATOM 0 HE2 PHE A 111 6.499 5.682 -13.587 1.00 0.00 H new ATOM 0 HZ PHE A 111 6.882 6.735 -15.801 1.00 0.00 H new ATOM 1174 N THR A 112 4.314 1.253 -18.150 1.00 0.00 N ATOM 1175 CA THR A 112 5.016 1.327 -19.468 1.00 0.00 C ATOM 1176 C THR A 112 5.555 2.735 -19.740 1.00 0.00 C ATOM 1177 O THR A 112 4.810 3.691 -19.830 1.00 0.00 O ATOM 1178 CB THR A 112 3.947 0.953 -20.495 1.00 0.00 C ATOM 1179 OG1 THR A 112 3.296 -0.240 -20.082 1.00 0.00 O ATOM 1180 CG2 THR A 112 4.599 0.735 -21.860 1.00 0.00 C ATOM 0 H THR A 112 3.306 1.107 -18.206 1.00 0.00 H new ATOM 0 HA THR A 112 5.881 0.665 -19.502 1.00 0.00 H new ATOM 0 HB THR A 112 3.218 1.759 -20.571 1.00 0.00 H new ATOM 0 HG1 THR A 112 3.290 -0.883 -20.822 1.00 0.00 H new ATOM 0 HG21 THR A 112 3.835 0.469 -22.590 1.00 0.00 H new ATOM 0 HG22 THR A 112 5.098 1.651 -22.175 1.00 0.00 H new ATOM 0 HG23 THR A 112 5.330 -0.071 -21.790 1.00 0.00 H new ATOM 1188 N ASP A 113 6.851 2.865 -19.872 1.00 0.00 N ATOM 1189 CA ASP A 113 7.448 4.207 -20.142 1.00 0.00 C ATOM 1190 C ASP A 113 8.488 4.115 -21.271 1.00 0.00 C ATOM 1191 O ASP A 113 9.560 3.579 -21.067 1.00 0.00 O ATOM 1192 CB ASP A 113 8.135 4.602 -18.834 1.00 0.00 C ATOM 1193 CG ASP A 113 9.086 3.486 -18.394 1.00 0.00 C ATOM 1194 OD1 ASP A 113 9.083 2.445 -19.029 1.00 0.00 O ATOM 1195 OD2 ASP A 113 9.799 3.694 -17.427 1.00 0.00 O ATOM 0 H ASP A 113 7.521 2.099 -19.804 1.00 0.00 H new ATOM 0 HA ASP A 113 6.696 4.932 -20.455 1.00 0.00 H new ATOM 0 HB2 ASP A 113 8.687 5.532 -18.968 1.00 0.00 H new ATOM 0 HB3 ASP A 113 7.389 4.783 -18.060 1.00 0.00 H new ATOM 1200 N PRO A 114 8.156 4.645 -22.426 1.00 0.00 N ATOM 1201 CA PRO A 114 6.837 5.295 -22.647 1.00 0.00 C ATOM 1202 C PRO A 114 5.740 4.238 -22.787 1.00 0.00 C ATOM 1203 O PRO A 114 6.018 3.055 -22.798 1.00 0.00 O ATOM 1204 CB PRO A 114 7.023 6.039 -23.967 1.00 0.00 C ATOM 1205 CG PRO A 114 8.112 5.304 -24.680 1.00 0.00 C ATOM 1206 CD PRO A 114 8.996 4.686 -23.630 1.00 0.00 C ATOM 0 HA PRO A 114 6.540 5.947 -21.825 1.00 0.00 H new ATOM 0 HB2 PRO A 114 6.102 6.042 -24.551 1.00 0.00 H new ATOM 0 HB3 PRO A 114 7.296 7.080 -23.797 1.00 0.00 H new ATOM 0 HG2 PRO A 114 7.695 4.536 -25.332 1.00 0.00 H new ATOM 0 HG3 PRO A 114 8.684 5.983 -25.313 1.00 0.00 H new ATOM 0 HD2 PRO A 114 9.322 3.688 -23.922 1.00 0.00 H new ATOM 0 HD3 PRO A 114 9.895 5.280 -23.467 1.00 0.00 H new ATOM 1214 N PRO A 115 4.526 4.701 -22.907 1.00 0.00 N ATOM 1215 CA PRO A 115 3.374 3.781 -23.070 1.00 0.00 C ATOM 1216 C PRO A 115 3.435 3.117 -24.447 1.00 0.00 C ATOM 1217 O PRO A 115 4.379 3.302 -25.191 1.00 0.00 O ATOM 1218 CB PRO A 115 2.160 4.702 -22.955 1.00 0.00 C ATOM 1219 CG PRO A 115 2.670 6.052 -23.346 1.00 0.00 C ATOM 1220 CD PRO A 115 4.109 6.109 -22.904 1.00 0.00 C ATOM 0 HA PRO A 115 3.351 2.973 -22.338 1.00 0.00 H new ATOM 0 HB2 PRO A 115 1.353 4.378 -23.612 1.00 0.00 H new ATOM 0 HB3 PRO A 115 1.762 4.708 -21.940 1.00 0.00 H new ATOM 0 HG2 PRO A 115 2.589 6.201 -24.423 1.00 0.00 H new ATOM 0 HG3 PRO A 115 2.086 6.840 -22.870 1.00 0.00 H new ATOM 0 HD2 PRO A 115 4.714 6.708 -23.584 1.00 0.00 H new ATOM 0 HD3 PRO A 115 4.207 6.554 -21.914 1.00 0.00 H new ATOM 1228 N VAL A 116 2.444 2.349 -24.801 1.00 0.00 N ATOM 1229 CA VAL A 116 2.464 1.686 -26.136 1.00 0.00 C ATOM 1230 C VAL A 116 1.546 2.433 -27.109 1.00 0.00 C ATOM 1231 O VAL A 116 0.450 2.829 -26.765 1.00 0.00 O ATOM 1232 CB VAL A 116 1.953 0.262 -25.890 1.00 0.00 C ATOM 1233 CG1 VAL A 116 1.651 -0.414 -27.230 1.00 0.00 C ATOM 1234 CG2 VAL A 116 3.021 -0.542 -25.148 1.00 0.00 C ATOM 0 H VAL A 116 1.624 2.151 -24.228 1.00 0.00 H new ATOM 0 HA VAL A 116 3.460 1.683 -26.579 1.00 0.00 H new ATOM 0 HB VAL A 116 1.044 0.304 -25.290 1.00 0.00 H new ATOM 0 HG11 VAL A 116 1.288 -1.426 -27.053 1.00 0.00 H new ATOM 0 HG12 VAL A 116 0.890 0.157 -27.762 1.00 0.00 H new ATOM 0 HG13 VAL A 116 2.560 -0.454 -27.830 1.00 0.00 H new ATOM 0 HG21 VAL A 116 2.658 -1.555 -24.973 1.00 0.00 H new ATOM 0 HG22 VAL A 116 3.930 -0.581 -25.749 1.00 0.00 H new ATOM 0 HG23 VAL A 116 3.238 -0.064 -24.193 1.00 0.00 H new ATOM 1244 N LYS A 117 1.984 2.619 -28.325 1.00 0.00 N ATOM 1245 CA LYS A 117 1.139 3.329 -29.328 1.00 0.00 C ATOM 1246 C LYS A 117 0.504 2.298 -30.267 1.00 0.00 C ATOM 1247 O LYS A 117 1.194 1.487 -30.854 1.00 0.00 O ATOM 1248 CB LYS A 117 2.104 4.222 -30.108 1.00 0.00 C ATOM 1249 CG LYS A 117 2.843 5.155 -29.151 1.00 0.00 C ATOM 1250 CD LYS A 117 3.882 5.961 -29.933 1.00 0.00 C ATOM 1251 CE LYS A 117 5.152 5.124 -30.108 1.00 0.00 C ATOM 1252 NZ LYS A 117 6.256 6.118 -30.213 1.00 0.00 N ATOM 0 H LYS A 117 2.893 2.309 -28.668 1.00 0.00 H new ATOM 0 HA LYS A 117 0.338 3.907 -28.867 1.00 0.00 H new ATOM 0 HB2 LYS A 117 2.819 3.608 -30.655 1.00 0.00 H new ATOM 0 HB3 LYS A 117 1.555 4.806 -30.847 1.00 0.00 H new ATOM 0 HG2 LYS A 117 2.137 5.827 -28.662 1.00 0.00 H new ATOM 0 HG3 LYS A 117 3.330 4.577 -28.365 1.00 0.00 H new ATOM 0 HD2 LYS A 117 3.482 6.242 -30.907 1.00 0.00 H new ATOM 0 HD3 LYS A 117 4.113 6.886 -29.405 1.00 0.00 H new ATOM 0 HE2 LYS A 117 5.303 4.454 -29.262 1.00 0.00 H new ATOM 0 HE3 LYS A 117 5.095 4.502 -31.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 7.161 5.620 -30.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 6.089 6.738 -31.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 6.290 6.691 -29.346 1.00 0.00 H new ATOM 1266 N THR A 118 -0.793 2.298 -30.414 1.00 0.00 N ATOM 1267 CA THR A 118 -1.415 1.285 -31.317 1.00 0.00 C ATOM 1268 C THR A 118 -2.590 1.874 -32.104 1.00 0.00 C ATOM 1269 O THR A 118 -2.884 3.051 -32.025 1.00 0.00 O ATOM 1270 CB THR A 118 -1.903 0.176 -30.389 1.00 0.00 C ATOM 1271 OG1 THR A 118 -2.724 0.734 -29.372 1.00 0.00 O ATOM 1272 CG2 THR A 118 -0.704 -0.528 -29.752 1.00 0.00 C ATOM 0 H THR A 118 -1.440 2.942 -29.958 1.00 0.00 H new ATOM 0 HA THR A 118 -0.703 0.927 -32.060 1.00 0.00 H new ATOM 0 HB THR A 118 -2.481 -0.548 -30.964 1.00 0.00 H new ATOM 0 HG1 THR A 118 -3.060 0.018 -28.793 1.00 0.00 H new ATOM 0 HG21 THR A 118 -1.056 -1.319 -29.090 1.00 0.00 H new ATOM 0 HG22 THR A 118 -0.079 -0.960 -30.533 1.00 0.00 H new ATOM 0 HG23 THR A 118 -0.122 0.193 -29.178 1.00 0.00 H new ATOM 1280 N LYS A 119 -3.258 1.047 -32.866 1.00 0.00 N ATOM 1281 CA LYS A 119 -4.416 1.524 -33.675 1.00 0.00 C ATOM 1282 C LYS A 119 -5.627 1.769 -32.769 1.00 0.00 C ATOM 1283 O LYS A 119 -6.610 2.356 -33.175 1.00 0.00 O ATOM 1284 CB LYS A 119 -4.690 0.385 -34.662 1.00 0.00 C ATOM 1285 CG LYS A 119 -5.928 0.699 -35.506 1.00 0.00 C ATOM 1286 CD LYS A 119 -6.829 -0.537 -35.561 1.00 0.00 C ATOM 1287 CE LYS A 119 -8.298 -0.111 -35.496 1.00 0.00 C ATOM 1288 NZ LYS A 119 -9.037 -1.352 -35.131 1.00 0.00 N ATOM 0 H LYS A 119 -3.048 0.054 -32.962 1.00 0.00 H new ATOM 0 HA LYS A 119 -4.215 2.466 -34.185 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -3.826 0.241 -35.311 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -4.839 -0.548 -34.119 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -6.471 1.541 -35.076 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -5.631 0.992 -36.513 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -6.643 -1.094 -36.479 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -6.597 -1.205 -34.731 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -8.450 0.673 -34.754 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -8.638 0.285 -36.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -10.054 -1.144 -35.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -8.878 -2.078 -35.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -8.696 -1.702 -34.213 1.00 0.00 H new ATOM 1302 N PHE A 120 -5.558 1.343 -31.538 1.00 0.00 N ATOM 1303 CA PHE A 120 -6.707 1.576 -30.609 1.00 0.00 C ATOM 1304 C PHE A 120 -6.370 2.718 -29.654 1.00 0.00 C ATOM 1305 O PHE A 120 -6.713 2.692 -28.490 1.00 0.00 O ATOM 1306 CB PHE A 120 -6.944 0.272 -29.817 1.00 0.00 C ATOM 1307 CG PHE A 120 -5.717 -0.617 -29.815 1.00 0.00 C ATOM 1308 CD1 PHE A 120 -5.368 -1.334 -30.967 1.00 0.00 C ATOM 1309 CD2 PHE A 120 -4.936 -0.731 -28.659 1.00 0.00 C ATOM 1310 CE1 PHE A 120 -4.239 -2.162 -30.962 1.00 0.00 C ATOM 1311 CE2 PHE A 120 -3.805 -1.559 -28.655 1.00 0.00 C ATOM 1312 CZ PHE A 120 -3.458 -2.275 -29.807 1.00 0.00 C ATOM 0 H PHE A 120 -4.763 0.847 -31.134 1.00 0.00 H new ATOM 0 HA PHE A 120 -7.605 1.847 -31.165 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -7.218 0.515 -28.790 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -7.784 -0.269 -30.252 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -5.970 -1.248 -31.859 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -5.205 -0.181 -27.770 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -3.971 -2.714 -31.851 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -3.201 -1.645 -27.764 1.00 0.00 H new ATOM 0 HZ PHE A 120 -2.588 -2.914 -29.804 1.00 0.00 H new ATOM 1322 N GLY A 121 -5.698 3.725 -30.140 1.00 0.00 N ATOM 1323 CA GLY A 121 -5.339 4.870 -29.260 1.00 0.00 C ATOM 1324 C GLY A 121 -4.009 4.578 -28.564 1.00 0.00 C ATOM 1325 O GLY A 121 -3.302 3.654 -28.915 1.00 0.00 O ATOM 0 H GLY A 121 -5.383 3.804 -31.107 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -5.261 5.784 -29.848 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -6.122 5.033 -28.519 1.00 0.00 H new ATOM 1329 N TYR A 122 -3.667 5.356 -27.578 1.00 0.00 N ATOM 1330 CA TYR A 122 -2.388 5.128 -26.849 1.00 0.00 C ATOM 1331 C TYR A 122 -2.696 4.471 -25.503 1.00 0.00 C ATOM 1332 O TYR A 122 -3.710 4.748 -24.893 1.00 0.00 O ATOM 1333 CB TYR A 122 -1.794 6.526 -26.668 1.00 0.00 C ATOM 1334 CG TYR A 122 -1.449 7.094 -28.028 1.00 0.00 C ATOM 1335 CD1 TYR A 122 -2.458 7.344 -28.969 1.00 0.00 C ATOM 1336 CD2 TYR A 122 -0.116 7.363 -28.352 1.00 0.00 C ATOM 1337 CE1 TYR A 122 -2.130 7.860 -30.228 1.00 0.00 C ATOM 1338 CE2 TYR A 122 0.210 7.878 -29.612 1.00 0.00 C ATOM 1339 CZ TYR A 122 -0.797 8.126 -30.550 1.00 0.00 C ATOM 1340 OH TYR A 122 -0.475 8.634 -31.792 1.00 0.00 O ATOM 0 H TYR A 122 -4.220 6.145 -27.243 1.00 0.00 H new ATOM 0 HA TYR A 122 -1.695 4.471 -27.374 1.00 0.00 H new ATOM 0 HB2 TYR A 122 -2.506 7.175 -26.159 1.00 0.00 H new ATOM 0 HB3 TYR A 122 -0.903 6.478 -26.043 1.00 0.00 H new ATOM 0 HD1 TYR A 122 -3.489 7.138 -28.722 1.00 0.00 H new ATOM 0 HD2 TYR A 122 0.663 7.173 -27.629 1.00 0.00 H new ATOM 0 HE1 TYR A 122 -2.908 8.053 -30.951 1.00 0.00 H new ATOM 0 HE2 TYR A 122 1.241 8.084 -29.860 1.00 0.00 H new ATOM 0 HH TYR A 122 0.495 8.762 -31.852 1.00 0.00 H new ATOM 1350 N HIS A 123 -1.860 3.582 -25.037 1.00 0.00 N ATOM 1351 CA HIS A 123 -2.170 2.912 -23.741 1.00 0.00 C ATOM 1352 C HIS A 123 -0.936 2.777 -22.847 1.00 0.00 C ATOM 1353 O HIS A 123 0.121 2.361 -23.276 1.00 0.00 O ATOM 1354 CB HIS A 123 -2.671 1.519 -24.125 1.00 0.00 C ATOM 1355 CG HIS A 123 -3.698 1.623 -25.217 1.00 0.00 C ATOM 1356 ND1 HIS A 123 -5.031 1.314 -25.004 1.00 0.00 N ATOM 1357 CD2 HIS A 123 -3.601 1.984 -26.537 1.00 0.00 C ATOM 1358 CE1 HIS A 123 -5.679 1.492 -26.170 1.00 0.00 C ATOM 1359 NE2 HIS A 123 -4.854 1.901 -27.138 1.00 0.00 N ATOM 0 H HIS A 123 -0.991 3.295 -25.488 1.00 0.00 H new ATOM 0 HA HIS A 123 -2.897 3.494 -23.174 1.00 0.00 H new ATOM 0 HB2 HIS A 123 -1.836 0.903 -24.458 1.00 0.00 H new ATOM 0 HB3 HIS A 123 -3.103 1.027 -23.254 1.00 0.00 H new ATOM 0 HD1 HIS A 123 -5.446 1.007 -24.124 1.00 0.00 H new ATOM 0 HD2 HIS A 123 -2.691 2.286 -27.034 1.00 0.00 H new ATOM 0 HE1 HIS A 123 -6.737 1.325 -26.307 1.00 0.00 H new ATOM 1367 N ILE A 124 -1.093 3.083 -21.589 1.00 0.00 N ATOM 1368 CA ILE A 124 0.032 2.935 -20.622 1.00 0.00 C ATOM 1369 C ILE A 124 -0.418 1.960 -19.534 1.00 0.00 C ATOM 1370 O ILE A 124 -1.373 2.209 -18.829 1.00 0.00 O ATOM 1371 CB ILE A 124 0.267 4.332 -20.045 1.00 0.00 C ATOM 1372 CG1 ILE A 124 1.581 4.347 -19.262 1.00 0.00 C ATOM 1373 CG2 ILE A 124 -0.883 4.703 -19.110 1.00 0.00 C ATOM 1374 CD1 ILE A 124 1.813 5.746 -18.694 1.00 0.00 C ATOM 0 H ILE A 124 -1.962 3.433 -21.185 1.00 0.00 H new ATOM 0 HA ILE A 124 0.948 2.552 -21.072 1.00 0.00 H new ATOM 0 HB ILE A 124 0.319 5.054 -20.860 1.00 0.00 H new ATOM 0 HG12 ILE A 124 1.545 3.615 -18.455 1.00 0.00 H new ATOM 0 HG13 ILE A 124 2.409 4.064 -19.912 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -0.712 5.699 -18.701 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -1.821 4.695 -19.666 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -0.937 3.980 -18.296 1.00 0.00 H new ATOM 0 HD11 ILE A 124 2.749 5.761 -18.135 1.00 0.00 H new ATOM 0 HD12 ILE A 124 1.866 6.466 -19.511 1.00 0.00 H new ATOM 0 HD13 ILE A 124 0.990 6.010 -18.030 1.00 0.00 H new ATOM 1386 N ILE A 125 0.216 0.829 -19.415 1.00 0.00 N ATOM 1387 CA ILE A 125 -0.249 -0.155 -18.396 1.00 0.00 C ATOM 1388 C ILE A 125 0.776 -0.380 -17.284 1.00 0.00 C ATOM 1389 O ILE A 125 1.960 -0.163 -17.444 1.00 0.00 O ATOM 1390 CB ILE A 125 -0.457 -1.450 -19.175 1.00 0.00 C ATOM 1391 CG1 ILE A 125 0.900 -1.999 -19.608 1.00 0.00 C ATOM 1392 CG2 ILE A 125 -1.315 -1.180 -20.414 1.00 0.00 C ATOM 1393 CD1 ILE A 125 0.683 -3.215 -20.504 1.00 0.00 C ATOM 0 H ILE A 125 1.024 0.544 -19.969 1.00 0.00 H new ATOM 0 HA ILE A 125 -1.150 0.203 -17.899 1.00 0.00 H new ATOM 0 HB ILE A 125 -0.964 -2.176 -18.540 1.00 0.00 H new ATOM 0 HG12 ILE A 125 1.462 -1.233 -20.143 1.00 0.00 H new ATOM 0 HG13 ILE A 125 1.490 -2.276 -18.734 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -1.460 -2.109 -20.966 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -2.284 -0.786 -20.107 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -0.813 -0.453 -21.053 1.00 0.00 H new ATOM 0 HD11 ILE A 125 1.648 -3.613 -20.817 1.00 0.00 H new ATOM 0 HD12 ILE A 125 0.137 -3.980 -19.953 1.00 0.00 H new ATOM 0 HD13 ILE A 125 0.109 -2.922 -21.383 1.00 0.00 H new ATOM 1405 N MET A 126 0.302 -0.854 -16.166 1.00 0.00 N ATOM 1406 CA MET A 126 1.191 -1.157 -15.014 1.00 0.00 C ATOM 1407 C MET A 126 1.071 -2.650 -14.718 1.00 0.00 C ATOM 1408 O MET A 126 0.051 -3.254 -14.988 1.00 0.00 O ATOM 1409 CB MET A 126 0.643 -0.329 -13.850 1.00 0.00 C ATOM 1410 CG MET A 126 0.614 1.148 -14.244 1.00 0.00 C ATOM 1411 SD MET A 126 0.003 2.129 -12.851 1.00 0.00 S ATOM 1412 CE MET A 126 1.617 2.586 -12.173 1.00 0.00 C ATOM 0 H MET A 126 -0.686 -1.048 -16.001 1.00 0.00 H new ATOM 0 HA MET A 126 2.239 -0.921 -15.196 1.00 0.00 H new ATOM 0 HB2 MET A 126 -0.360 -0.667 -13.590 1.00 0.00 H new ATOM 0 HB3 MET A 126 1.265 -0.468 -12.966 1.00 0.00 H new ATOM 0 HG2 MET A 126 1.613 1.480 -14.527 1.00 0.00 H new ATOM 0 HG3 MET A 126 -0.028 1.291 -15.113 1.00 0.00 H new ATOM 0 HE1 MET A 126 1.514 2.818 -11.113 1.00 0.00 H new ATOM 0 HE2 MET A 126 2.312 1.755 -12.296 1.00 0.00 H new ATOM 0 HE3 MET A 126 1.999 3.460 -12.701 1.00 0.00 H new ATOM 1422 N VAL A 127 2.086 -3.269 -14.195 1.00 0.00 N ATOM 1423 CA VAL A 127 1.972 -4.731 -13.934 1.00 0.00 C ATOM 1424 C VAL A 127 2.320 -5.079 -12.485 1.00 0.00 C ATOM 1425 O VAL A 127 3.412 -4.832 -12.015 1.00 0.00 O ATOM 1426 CB VAL A 127 2.965 -5.382 -14.894 1.00 0.00 C ATOM 1427 CG1 VAL A 127 2.763 -6.897 -14.874 1.00 0.00 C ATOM 1428 CG2 VAL A 127 2.725 -4.860 -16.314 1.00 0.00 C ATOM 0 H VAL A 127 2.975 -2.839 -13.940 1.00 0.00 H new ATOM 0 HA VAL A 127 0.951 -5.082 -14.087 1.00 0.00 H new ATOM 0 HB VAL A 127 3.982 -5.139 -14.585 1.00 0.00 H new ATOM 0 HG11 VAL A 127 3.470 -7.367 -15.558 1.00 0.00 H new ATOM 0 HG12 VAL A 127 2.930 -7.273 -13.865 1.00 0.00 H new ATOM 0 HG13 VAL A 127 1.745 -7.133 -15.185 1.00 0.00 H new ATOM 0 HG21 VAL A 127 3.435 -5.326 -16.998 1.00 0.00 H new ATOM 0 HG22 VAL A 127 1.709 -5.104 -16.624 1.00 0.00 H new ATOM 0 HG23 VAL A 127 2.860 -3.779 -16.332 1.00 0.00 H new ATOM 1438 N GLU A 128 1.393 -5.678 -11.789 1.00 0.00 N ATOM 1439 CA GLU A 128 1.646 -6.085 -10.379 1.00 0.00 C ATOM 1440 C GLU A 128 1.155 -7.521 -10.184 1.00 0.00 C ATOM 1441 O GLU A 128 0.326 -8.004 -10.930 1.00 0.00 O ATOM 1442 CB GLU A 128 0.837 -5.114 -9.519 1.00 0.00 C ATOM 1443 CG GLU A 128 -0.650 -5.253 -9.851 1.00 0.00 C ATOM 1444 CD GLU A 128 -1.401 -4.016 -9.353 1.00 0.00 C ATOM 1445 OE1 GLU A 128 -0.758 -3.142 -8.796 1.00 0.00 O ATOM 1446 OE2 GLU A 128 -2.606 -3.966 -9.536 1.00 0.00 O ATOM 0 H GLU A 128 0.463 -5.905 -12.141 1.00 0.00 H new ATOM 0 HA GLU A 128 2.703 -6.054 -10.113 1.00 0.00 H new ATOM 0 HB2 GLU A 128 1.005 -5.321 -8.462 1.00 0.00 H new ATOM 0 HB3 GLU A 128 1.166 -4.091 -9.700 1.00 0.00 H new ATOM 0 HG2 GLU A 128 -0.785 -5.365 -10.927 1.00 0.00 H new ATOM 0 HG3 GLU A 128 -1.056 -6.151 -9.384 1.00 0.00 H new ATOM 1453 N GLY A 129 1.661 -8.217 -9.207 1.00 0.00 N ATOM 1454 CA GLY A 129 1.215 -9.624 -9.005 1.00 0.00 C ATOM 1455 C GLY A 129 1.573 -10.432 -10.252 1.00 0.00 C ATOM 1456 O GLY A 129 0.757 -10.632 -11.132 1.00 0.00 O ATOM 0 H GLY A 129 2.358 -7.878 -8.544 1.00 0.00 H new ATOM 0 HA2 GLY A 129 1.697 -10.051 -8.126 1.00 0.00 H new ATOM 0 HA3 GLY A 129 0.140 -9.658 -8.827 1.00 0.00 H new ATOM 1460 N ARG A 130 2.796 -10.884 -10.339 1.00 0.00 N ATOM 1461 CA ARG A 130 3.229 -11.669 -11.533 1.00 0.00 C ATOM 1462 C ARG A 130 3.615 -13.092 -11.118 1.00 0.00 C ATOM 1463 O ARG A 130 4.000 -13.338 -9.992 1.00 0.00 O ATOM 1464 CB ARG A 130 4.447 -10.911 -12.071 1.00 0.00 C ATOM 1465 CG ARG A 130 5.075 -11.684 -13.234 1.00 0.00 C ATOM 1466 CD ARG A 130 6.589 -11.459 -13.236 1.00 0.00 C ATOM 1467 NE ARG A 130 6.765 -10.047 -13.675 1.00 0.00 N ATOM 1468 CZ ARG A 130 7.934 -9.628 -14.076 1.00 0.00 C ATOM 1469 NH1 ARG A 130 8.706 -10.416 -14.770 1.00 0.00 N ATOM 1470 NH2 ARG A 130 8.331 -8.420 -13.781 1.00 0.00 N ATOM 0 H ARG A 130 3.517 -10.743 -9.631 1.00 0.00 H new ATOM 0 HA ARG A 130 2.442 -11.764 -12.281 1.00 0.00 H new ATOM 0 HB2 ARG A 130 4.149 -9.917 -12.404 1.00 0.00 H new ATOM 0 HB3 ARG A 130 5.181 -10.775 -11.276 1.00 0.00 H new ATOM 0 HG2 ARG A 130 4.854 -12.747 -13.139 1.00 0.00 H new ATOM 0 HG3 ARG A 130 4.646 -11.352 -14.179 1.00 0.00 H new ATOM 0 HD2 ARG A 130 7.014 -11.621 -12.245 1.00 0.00 H new ATOM 0 HD3 ARG A 130 7.090 -12.149 -13.914 1.00 0.00 H new ATOM 0 HE ARG A 130 5.971 -9.407 -13.662 1.00 0.00 H new ATOM 0 HH11 ARG A 130 8.396 -11.360 -15.000 1.00 0.00 H new ATOM 0 HH12 ARG A 130 9.620 -10.088 -15.083 1.00 0.00 H new ATOM 0 HH21 ARG A 130 7.727 -7.803 -13.237 1.00 0.00 H new ATOM 0 HH22 ARG A 130 9.245 -8.093 -14.094 1.00 0.00 H new ATOM 1484 N LYS A 131 3.515 -14.030 -12.020 1.00 0.00 N ATOM 1485 CA LYS A 131 3.879 -15.435 -11.677 1.00 0.00 C ATOM 1486 C LYS A 131 5.300 -15.489 -11.109 1.00 0.00 C ATOM 1487 O LYS A 131 6.165 -14.832 -11.665 1.00 0.00 O ATOM 1488 CB LYS A 131 3.799 -16.195 -13.000 1.00 0.00 C ATOM 1489 CG LYS A 131 2.340 -16.290 -13.450 1.00 0.00 C ATOM 1490 CD LYS A 131 2.260 -17.093 -14.750 1.00 0.00 C ATOM 1491 CE LYS A 131 2.787 -18.510 -14.510 1.00 0.00 C ATOM 1492 NZ LYS A 131 2.609 -19.213 -15.810 1.00 0.00 N ATOM 1493 OXT LYS A 131 5.499 -16.186 -10.128 1.00 0.00 O ATOM 0 H LYS A 131 3.197 -13.885 -12.978 1.00 0.00 H new ATOM 0 HA LYS A 131 3.220 -15.862 -10.921 1.00 0.00 H new ATOM 0 HB2 LYS A 131 4.392 -15.686 -13.760 1.00 0.00 H new ATOM 0 HB3 LYS A 131 4.220 -17.194 -12.883 1.00 0.00 H new ATOM 0 HG2 LYS A 131 1.740 -16.769 -12.676 1.00 0.00 H new ATOM 0 HG3 LYS A 131 1.929 -15.292 -13.600 1.00 0.00 H new ATOM 0 HD2 LYS A 131 1.229 -17.132 -15.103 1.00 0.00 H new ATOM 0 HD3 LYS A 131 2.845 -16.603 -15.529 1.00 0.00 H new ATOM 0 HE2 LYS A 131 3.835 -18.496 -14.209 1.00 0.00 H new ATOM 0 HE3 LYS A 131 2.233 -19.007 -13.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 2.619 -20.241 -15.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 1.700 -18.936 -16.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 3.384 -18.954 -16.454 1.00 0.00 H new