USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 657 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 NoAdj-H: A 79 HIS HD1 : A 79 HIS ND1 : A 138 ZNZN :(H bumps) USER MOD NoAdj-H: A 102 HIS HE2 : A 102 HIS NE2 : A 139 ZNZN :(H bumps) USER MOD Set 1.1: A 69 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 96 GLN : amide:sc= -0.065 K(o=-0.065,f=-1.9!) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 MET CE :methyl -111:sc= -0.722 (180deg=-2.72!) USER MOD Single : A 64 LYS NZ :NH3+ -169:sc= -0.0603 (180deg=-0.291) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 HIS : no HD1:sc= -0.358 X(o=-0.36,f=0.037) USER MOD Single : A 73 HIS : no HD1:sc= 0.66 K(o=0.66,f=-2.8!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0.00191 USER MOD Single : A 84 SER OG : rot 180:sc= -0.103 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -0.289 X(o=-0.29,f=-0.42) USER MOD Single : A 92 GLN : amide:sc= -0.0223 K(o=-0.022,f=-3!) USER MOD Single : A 97 GLN : amide:sc= -0.11 K(o=-0.11,f=-1.8) USER MOD Single : A 99 SER OG : rot -47:sc= 0.88 USER MOD Single : A 105 GLN : amide:sc= -0.463 X(o=-0.46,f=0) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 SER OG : rot -40:sc= 0.366 USER MOD Single : A 121 HIS : no HD1:sc= -0.0404 X(o=-0.04,f=0) USER MOD Single : A 122 ASN : amide:sc= -0.0515 X(o=-0.052,f=0) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 SER OG : rot 180:sc= 0.0359 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 51 -10.282 24.895 2.970 1.00 0.00 N ATOM 2 CA LEU A 51 -9.579 24.737 1.671 1.00 0.00 C ATOM 3 C LEU A 51 -9.841 23.360 1.066 1.00 0.00 C ATOM 4 O LEU A 51 -9.476 22.338 1.646 1.00 0.00 O ATOM 5 CB LEU A 51 -8.080 24.942 1.901 1.00 0.00 C ATOM 6 CG LEU A 51 -7.431 26.018 1.028 1.00 0.00 C ATOM 7 CD1 LEU A 51 -7.457 25.605 -0.436 1.00 0.00 C ATOM 8 CD2 LEU A 51 -8.135 27.353 1.219 1.00 0.00 C ATOM 0 HA LEU A 51 -9.954 25.479 0.966 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -7.921 25.201 2.948 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -7.568 23.996 1.725 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.391 26.130 1.334 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -6.991 26.382 -1.042 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.909 24.671 -0.560 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -8.489 25.465 -0.756 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.661 28.107 0.591 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -9.184 27.255 0.939 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.065 27.655 2.264 1.00 0.00 H new ATOM 20 N ARG A 52 -10.475 23.344 -0.101 1.00 0.00 N ATOM 21 CA ARG A 52 -10.786 22.093 -0.785 1.00 0.00 C ATOM 22 C ARG A 52 -9.632 21.659 -1.682 1.00 0.00 C ATOM 23 O ARG A 52 -9.665 21.861 -2.896 1.00 0.00 O ATOM 24 CB ARG A 52 -12.063 22.247 -1.614 1.00 0.00 C ATOM 25 CG ARG A 52 -13.337 22.004 -0.822 1.00 0.00 C ATOM 26 CD ARG A 52 -13.934 20.637 -1.120 1.00 0.00 C ATOM 27 NE ARG A 52 -15.321 20.732 -1.569 1.00 0.00 N ATOM 28 CZ ARG A 52 -15.684 21.231 -2.749 1.00 0.00 C ATOM 29 NH1 ARG A 52 -14.770 21.678 -3.600 1.00 0.00 N ATOM 30 NH2 ARG A 52 -16.969 21.283 -3.076 1.00 0.00 N ATOM 0 H ARG A 52 -10.784 24.182 -0.593 1.00 0.00 H new ATOM 0 HA ARG A 52 -10.941 21.323 -0.029 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -12.093 23.252 -2.035 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -12.028 21.551 -2.452 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -13.123 22.083 0.244 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -14.066 22.779 -1.059 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -13.338 20.140 -1.886 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -13.884 20.017 -0.225 1.00 0.00 H new ATOM 0 HE ARG A 52 -16.053 20.397 -0.943 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -13.781 21.641 -3.352 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -15.056 22.059 -4.502 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -17.675 20.941 -2.424 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -17.250 21.665 -3.979 1.00 0.00 H new ATOM 44 N LEU A 53 -8.613 21.060 -1.075 1.00 0.00 N ATOM 45 CA LEU A 53 -7.448 20.595 -1.818 1.00 0.00 C ATOM 46 C LEU A 53 -7.432 19.073 -1.911 1.00 0.00 C ATOM 47 O LEU A 53 -6.925 18.504 -2.878 1.00 0.00 O ATOM 48 CB LEU A 53 -6.160 21.089 -1.154 1.00 0.00 C ATOM 49 CG LEU A 53 -5.979 22.608 -1.142 1.00 0.00 C ATOM 50 CD1 LEU A 53 -4.642 22.980 -0.522 1.00 0.00 C ATOM 51 CD2 LEU A 53 -6.091 23.168 -2.552 1.00 0.00 C ATOM 0 H LEU A 53 -8.570 20.885 -0.071 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.508 21.003 -2.827 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -6.138 20.728 -0.126 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -5.309 20.641 -1.668 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.771 23.046 -0.535 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.530 24.064 -0.522 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.601 22.611 0.503 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.835 22.532 -1.102 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.960 24.250 -2.525 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.320 22.724 -3.182 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -7.074 22.932 -2.960 1.00 0.00 H new ATOM 63 N CYS A 54 -7.993 18.418 -0.898 1.00 0.00 N ATOM 64 CA CYS A 54 -8.044 16.960 -0.864 1.00 0.00 C ATOM 65 C CYS A 54 -8.776 16.414 -2.086 1.00 0.00 C ATOM 66 O CYS A 54 -9.885 16.845 -2.402 1.00 0.00 O ATOM 67 CB CYS A 54 -8.735 16.485 0.415 1.00 0.00 C ATOM 68 SG CYS A 54 -8.106 14.916 1.056 1.00 0.00 S ATOM 0 H CYS A 54 -8.418 18.874 -0.091 1.00 0.00 H new ATOM 0 HA CYS A 54 -7.021 16.583 -0.878 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -8.621 17.250 1.182 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -9.803 16.384 0.222 1.00 0.00 H new ATOM 73 N GLN A 55 -8.149 15.461 -2.769 1.00 0.00 N ATOM 74 CA GLN A 55 -8.740 14.856 -3.955 1.00 0.00 C ATOM 75 C GLN A 55 -9.966 14.027 -3.590 1.00 0.00 C ATOM 76 O GLN A 55 -10.899 13.897 -4.385 1.00 0.00 O ATOM 77 CB GLN A 55 -7.713 13.975 -4.670 1.00 0.00 C ATOM 78 CG GLN A 55 -7.065 12.939 -3.766 1.00 0.00 C ATOM 79 CD GLN A 55 -6.782 11.635 -4.483 1.00 0.00 C ATOM 80 OE1 GLN A 55 -7.694 10.862 -4.776 1.00 0.00 O ATOM 81 NE2 GLN A 55 -5.510 11.382 -4.771 1.00 0.00 N ATOM 0 H GLN A 55 -7.231 15.092 -2.520 1.00 0.00 H new ATOM 0 HA GLN A 55 -9.051 15.659 -4.624 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -8.200 13.466 -5.501 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -6.936 14.610 -5.096 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -6.133 13.341 -3.369 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -7.717 12.747 -2.914 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -4.785 12.051 -4.510 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -5.258 10.519 -5.253 1.00 0.00 H new ATOM 90 N VAL A 56 -9.961 13.466 -2.386 1.00 0.00 N ATOM 91 CA VAL A 56 -11.073 12.650 -1.916 1.00 0.00 C ATOM 92 C VAL A 56 -12.342 13.482 -1.769 1.00 0.00 C ATOM 93 O VAL A 56 -12.288 14.658 -1.406 1.00 0.00 O ATOM 94 CB VAL A 56 -10.754 11.983 -0.564 1.00 0.00 C ATOM 95 CG1 VAL A 56 -11.776 10.900 -0.249 1.00 0.00 C ATOM 96 CG2 VAL A 56 -9.342 11.415 -0.563 1.00 0.00 C ATOM 0 H VAL A 56 -9.197 13.562 -1.717 1.00 0.00 H new ATOM 0 HA VAL A 56 -11.232 11.875 -2.666 1.00 0.00 H new ATOM 0 HB VAL A 56 -10.811 12.742 0.216 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -11.535 10.440 0.709 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -12.771 11.342 -0.199 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -11.755 10.141 -1.031 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -9.138 10.949 0.401 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -9.249 10.670 -1.353 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -8.626 12.219 -0.736 1.00 0.00 H new ATOM 106 N ASP A 57 -13.483 12.865 -2.051 1.00 0.00 N ATOM 107 CA ASP A 57 -14.767 13.548 -1.949 1.00 0.00 C ATOM 108 C ASP A 57 -15.360 13.390 -0.554 1.00 0.00 C ATOM 109 O ASP A 57 -14.943 12.522 0.214 1.00 0.00 O ATOM 110 CB ASP A 57 -15.743 13.005 -2.995 1.00 0.00 C ATOM 111 CG ASP A 57 -15.130 12.942 -4.380 1.00 0.00 C ATOM 112 OD1 ASP A 57 -14.766 14.008 -4.918 1.00 0.00 O ATOM 113 OD2 ASP A 57 -15.012 11.824 -4.926 1.00 0.00 O ATOM 0 H ASP A 57 -13.545 11.893 -2.352 1.00 0.00 H new ATOM 0 HA ASP A 57 -14.600 14.609 -2.134 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -16.070 12.008 -2.700 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -16.631 13.637 -3.022 1.00 0.00 H new ATOM 118 N ARG A 58 -16.334 14.233 -0.235 1.00 0.00 N ATOM 119 CA ARG A 58 -16.991 14.192 1.066 1.00 0.00 C ATOM 120 C ARG A 58 -16.003 14.464 2.199 1.00 0.00 C ATOM 121 O ARG A 58 -16.258 14.114 3.350 1.00 0.00 O ATOM 122 CB ARG A 58 -17.665 12.835 1.276 1.00 0.00 C ATOM 123 CG ARG A 58 -18.918 12.640 0.437 1.00 0.00 C ATOM 124 CD ARG A 58 -18.931 11.279 -0.241 1.00 0.00 C ATOM 125 NE ARG A 58 -19.931 11.205 -1.303 1.00 0.00 N ATOM 126 CZ ARG A 58 -21.230 11.004 -1.087 1.00 0.00 C ATOM 127 NH1 ARG A 58 -21.690 10.859 0.149 1.00 0.00 N ATOM 128 NH2 ARG A 58 -22.071 10.950 -2.111 1.00 0.00 N ATOM 0 H ARG A 58 -16.688 14.956 -0.862 1.00 0.00 H new ATOM 0 HA ARG A 58 -17.748 14.977 1.081 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -16.953 12.045 1.039 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -17.923 12.726 2.329 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -19.800 12.740 1.070 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -18.977 13.424 -0.318 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -17.945 11.072 -0.657 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -19.133 10.506 0.501 1.00 0.00 H new ATOM 0 HE ARG A 58 -19.616 11.314 -2.267 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -21.048 10.901 0.940 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -22.686 10.705 0.308 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -21.723 11.062 -3.063 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -23.066 10.796 -1.946 1.00 0.00 H new ATOM 142 N CYS A 59 -14.877 15.091 1.869 1.00 0.00 N ATOM 143 CA CYS A 59 -13.862 15.407 2.866 1.00 0.00 C ATOM 144 C CYS A 59 -14.266 16.634 3.679 1.00 0.00 C ATOM 145 O CYS A 59 -14.448 17.722 3.131 1.00 0.00 O ATOM 146 CB CYS A 59 -12.509 15.649 2.195 1.00 0.00 C ATOM 147 SG CYS A 59 -11.171 16.039 3.349 1.00 0.00 S ATOM 0 H CYS A 59 -14.646 15.389 0.921 1.00 0.00 H new ATOM 0 HA CYS A 59 -13.775 14.555 3.540 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -12.235 14.762 1.624 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -12.610 16.468 1.483 1.00 0.00 H new ATOM 152 N THR A 60 -14.403 16.453 4.988 1.00 0.00 N ATOM 153 CA THR A 60 -14.783 17.544 5.876 1.00 0.00 C ATOM 154 C THR A 60 -13.571 18.098 6.617 1.00 0.00 C ATOM 155 O THR A 60 -13.537 19.273 6.980 1.00 0.00 O ATOM 156 CB THR A 60 -15.837 17.094 6.904 1.00 0.00 C ATOM 157 OG1 THR A 60 -15.355 15.961 7.638 1.00 0.00 O ATOM 158 CG2 THR A 60 -17.147 16.738 6.217 1.00 0.00 C ATOM 0 H THR A 60 -14.256 15.559 5.458 1.00 0.00 H new ATOM 0 HA THR A 60 -15.211 18.326 5.248 1.00 0.00 H new ATOM 0 HB THR A 60 -16.018 17.921 7.590 1.00 0.00 H new ATOM 0 HG1 THR A 60 -16.031 15.682 8.291 1.00 0.00 H new ATOM 0 HG21 THR A 60 -17.876 16.423 6.964 1.00 0.00 H new ATOM 0 HG22 THR A 60 -17.527 17.610 5.684 1.00 0.00 H new ATOM 0 HG23 THR A 60 -16.978 15.926 5.510 1.00 0.00 H new ATOM 166 N ALA A 61 -12.577 17.242 6.842 1.00 0.00 N ATOM 167 CA ALA A 61 -11.363 17.645 7.541 1.00 0.00 C ATOM 168 C ALA A 61 -10.689 18.823 6.843 1.00 0.00 C ATOM 169 O ALA A 61 -10.578 18.852 5.618 1.00 0.00 O ATOM 170 CB ALA A 61 -10.400 16.471 7.643 1.00 0.00 C ATOM 0 H ALA A 61 -12.590 16.265 6.550 1.00 0.00 H new ATOM 0 HA ALA A 61 -11.642 17.964 8.545 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -9.497 16.785 8.167 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -10.874 15.658 8.193 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -10.138 16.128 6.642 1.00 0.00 H new ATOM 176 N ASP A 62 -10.240 19.794 7.634 1.00 0.00 N ATOM 177 CA ASP A 62 -9.576 20.974 7.093 1.00 0.00 C ATOM 178 C ASP A 62 -8.252 20.600 6.435 1.00 0.00 C ATOM 179 O ASP A 62 -7.325 20.141 7.102 1.00 0.00 O ATOM 180 CB ASP A 62 -9.336 22.003 8.199 1.00 0.00 C ATOM 181 CG ASP A 62 -9.202 23.413 7.658 1.00 0.00 C ATOM 182 OD1 ASP A 62 -10.245 24.062 7.430 1.00 0.00 O ATOM 183 OD2 ASP A 62 -8.057 23.868 7.463 1.00 0.00 O ATOM 0 H ASP A 62 -10.324 19.786 8.650 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.227 21.410 6.336 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -10.161 21.967 8.910 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -8.431 21.739 8.747 1.00 0.00 H new ATOM 188 N MET A 63 -8.170 20.800 5.124 1.00 0.00 N ATOM 189 CA MET A 63 -6.958 20.482 4.377 1.00 0.00 C ATOM 190 C MET A 63 -6.157 21.745 4.079 1.00 0.00 C ATOM 191 O MET A 63 -5.455 21.824 3.071 1.00 0.00 O ATOM 192 CB MET A 63 -7.310 19.764 3.072 1.00 0.00 C ATOM 193 CG MET A 63 -6.493 18.504 2.832 1.00 0.00 C ATOM 194 SD MET A 63 -5.520 18.579 1.315 1.00 0.00 S ATOM 195 CE MET A 63 -3.890 18.171 1.935 1.00 0.00 C ATOM 0 H MET A 63 -8.928 21.181 4.557 1.00 0.00 H new ATOM 0 HA MET A 63 -6.345 19.822 4.990 1.00 0.00 H new ATOM 0 HB2 MET A 63 -8.368 19.504 3.084 1.00 0.00 H new ATOM 0 HB3 MET A 63 -7.159 20.449 2.238 1.00 0.00 H new ATOM 0 HG2 MET A 63 -5.826 18.343 3.679 1.00 0.00 H new ATOM 0 HG3 MET A 63 -7.163 17.645 2.786 1.00 0.00 H new ATOM 0 HE1 MET A 63 -3.248 19.050 1.878 1.00 0.00 H new ATOM 0 HE2 MET A 63 -3.966 17.844 2.972 1.00 0.00 H new ATOM 0 HE3 MET A 63 -3.462 17.370 1.333 1.00 0.00 H new ATOM 205 N LYS A 64 -6.264 22.733 4.965 1.00 0.00 N ATOM 206 CA LYS A 64 -5.548 23.991 4.796 1.00 0.00 C ATOM 207 C LYS A 64 -4.176 23.929 5.462 1.00 0.00 C ATOM 208 O LYS A 64 -3.197 24.459 4.938 1.00 0.00 O ATOM 209 CB LYS A 64 -6.361 25.147 5.383 1.00 0.00 C ATOM 210 CG LYS A 64 -6.147 26.467 4.662 1.00 0.00 C ATOM 211 CD LYS A 64 -6.980 27.579 5.279 1.00 0.00 C ATOM 212 CE LYS A 64 -6.791 28.892 4.538 1.00 0.00 C ATOM 213 NZ LYS A 64 -5.360 29.306 4.494 1.00 0.00 N ATOM 0 H LYS A 64 -6.840 22.685 5.806 1.00 0.00 H new ATOM 0 HA LYS A 64 -5.407 24.160 3.729 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -7.420 24.891 5.348 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -6.097 25.269 6.434 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -5.092 26.737 4.700 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -6.409 26.355 3.610 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -8.033 27.299 5.262 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -6.701 27.707 6.325 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -7.171 28.793 3.521 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -7.379 29.671 5.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -5.292 30.285 4.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -4.952 29.246 5.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -4.836 28.677 3.853 1.00 0.00 H new ATOM 227 N GLU A 65 -4.116 23.277 6.618 1.00 0.00 N ATOM 228 CA GLU A 65 -2.865 23.145 7.355 1.00 0.00 C ATOM 229 C GLU A 65 -2.287 21.740 7.198 1.00 0.00 C ATOM 230 O GLU A 65 -2.133 21.007 8.174 1.00 0.00 O ATOM 231 CB GLU A 65 -3.087 23.456 8.837 1.00 0.00 C ATOM 232 CG GLU A 65 -2.982 24.936 9.169 1.00 0.00 C ATOM 233 CD GLU A 65 -1.736 25.269 9.968 1.00 0.00 C ATOM 234 OE1 GLU A 65 -1.723 24.998 11.187 1.00 0.00 O ATOM 235 OE2 GLU A 65 -0.776 25.802 9.374 1.00 0.00 O ATOM 0 H GLU A 65 -4.918 22.832 7.064 1.00 0.00 H new ATOM 0 HA GLU A 65 -2.152 23.860 6.944 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -4.072 23.095 9.132 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -2.355 22.906 9.429 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -2.981 25.513 8.244 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -3.863 25.241 9.733 1.00 0.00 H new ATOM 242 N ALA A 66 -1.968 21.373 5.960 1.00 0.00 N ATOM 243 CA ALA A 66 -1.407 20.059 5.674 1.00 0.00 C ATOM 244 C ALA A 66 0.108 20.131 5.525 1.00 0.00 C ATOM 245 O ALA A 66 0.649 21.123 5.036 1.00 0.00 O ATOM 246 CB ALA A 66 -2.038 19.479 4.417 1.00 0.00 C ATOM 0 H ALA A 66 -2.089 21.968 5.140 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.632 19.403 6.515 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -1.610 18.497 4.215 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -3.114 19.383 4.561 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -1.843 20.141 3.573 1.00 0.00 H new ATOM 252 N LYS A 67 0.790 19.071 5.949 1.00 0.00 N ATOM 253 CA LYS A 67 2.244 19.013 5.864 1.00 0.00 C ATOM 254 C LYS A 67 2.698 18.784 4.424 1.00 0.00 C ATOM 255 O LYS A 67 1.881 18.541 3.537 1.00 0.00 O ATOM 256 CB LYS A 67 2.786 17.906 6.769 1.00 0.00 C ATOM 257 CG LYS A 67 3.857 18.381 7.738 1.00 0.00 C ATOM 258 CD LYS A 67 5.026 17.412 7.800 1.00 0.00 C ATOM 259 CE LYS A 67 6.022 17.669 6.681 1.00 0.00 C ATOM 260 NZ LYS A 67 7.354 17.075 6.976 1.00 0.00 N ATOM 0 H LYS A 67 0.358 18.241 6.355 1.00 0.00 H new ATOM 0 HA LYS A 67 2.641 19.971 6.200 1.00 0.00 H new ATOM 0 HB2 LYS A 67 1.961 17.475 7.336 1.00 0.00 H new ATOM 0 HB3 LYS A 67 3.197 17.110 6.148 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.215 19.364 7.432 1.00 0.00 H new ATOM 0 HG3 LYS A 67 3.425 18.494 8.732 1.00 0.00 H new ATOM 0 HD2 LYS A 67 5.527 17.506 8.763 1.00 0.00 H new ATOM 0 HD3 LYS A 67 4.656 16.389 7.732 1.00 0.00 H new ATOM 0 HE2 LYS A 67 5.637 17.253 5.750 1.00 0.00 H new ATOM 0 HE3 LYS A 67 6.129 18.743 6.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 8.004 17.272 6.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 7.733 17.490 7.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 7.257 16.046 7.095 1.00 0.00 H new ATOM 274 N LEU A 68 4.005 18.860 4.203 1.00 0.00 N ATOM 275 CA LEU A 68 4.569 18.661 2.872 1.00 0.00 C ATOM 276 C LEU A 68 4.241 17.268 2.343 1.00 0.00 C ATOM 277 O LEU A 68 4.139 17.061 1.134 1.00 0.00 O ATOM 278 CB LEU A 68 6.086 18.862 2.902 1.00 0.00 C ATOM 279 CG LEU A 68 6.554 20.169 3.546 1.00 0.00 C ATOM 280 CD1 LEU A 68 7.873 19.962 4.275 1.00 0.00 C ATOM 281 CD2 LEU A 68 6.689 21.260 2.496 1.00 0.00 C ATOM 0 H LEU A 68 4.695 19.058 4.928 1.00 0.00 H new ATOM 0 HA LEU A 68 4.124 19.398 2.204 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.537 18.028 3.440 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.463 18.823 1.880 1.00 0.00 H new ATOM 0 HG LEU A 68 5.806 20.483 4.274 1.00 0.00 H new ATOM 0 HD11 LEU A 68 8.190 20.902 4.727 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.744 19.210 5.054 1.00 0.00 H new ATOM 0 HD13 LEU A 68 8.631 19.625 3.568 1.00 0.00 H new ATOM 0 HD21 LEU A 68 7.023 22.183 2.971 1.00 0.00 H new ATOM 0 HD22 LEU A 68 7.418 20.954 1.745 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.724 21.426 2.018 1.00 0.00 H new ATOM 293 N TYR A 69 4.079 16.315 3.256 1.00 0.00 N ATOM 294 CA TYR A 69 3.765 14.942 2.878 1.00 0.00 C ATOM 295 C TYR A 69 2.281 14.790 2.562 1.00 0.00 C ATOM 296 O TYR A 69 1.893 13.956 1.744 1.00 0.00 O ATOM 297 CB TYR A 69 4.162 13.979 3.999 1.00 0.00 C ATOM 298 CG TYR A 69 3.923 12.525 3.664 1.00 0.00 C ATOM 299 CD1 TYR A 69 4.704 11.874 2.718 1.00 0.00 C ATOM 300 CD2 TYR A 69 2.917 11.802 4.294 1.00 0.00 C ATOM 301 CE1 TYR A 69 4.490 10.544 2.408 1.00 0.00 C ATOM 302 CE2 TYR A 69 2.697 10.472 3.990 1.00 0.00 C ATOM 303 CZ TYR A 69 3.486 9.848 3.047 1.00 0.00 C ATOM 304 OH TYR A 69 3.269 8.524 2.741 1.00 0.00 O ATOM 0 H TYR A 69 4.160 16.468 4.261 1.00 0.00 H new ATOM 0 HA TYR A 69 4.335 14.699 1.981 1.00 0.00 H new ATOM 0 HB2 TYR A 69 5.218 14.121 4.231 1.00 0.00 H new ATOM 0 HB3 TYR A 69 3.602 14.232 4.899 1.00 0.00 H new ATOM 0 HD1 TYR A 69 5.492 12.416 2.216 1.00 0.00 H new ATOM 0 HD2 TYR A 69 2.297 12.288 5.033 1.00 0.00 H new ATOM 0 HE1 TYR A 69 5.106 10.053 1.669 1.00 0.00 H new ATOM 0 HE2 TYR A 69 1.911 9.924 4.489 1.00 0.00 H new ATOM 0 HH TYR A 69 2.526 8.181 3.280 1.00 0.00 H new ATOM 314 N HIS A 70 1.456 15.600 3.216 1.00 0.00 N ATOM 315 CA HIS A 70 0.014 15.555 3.002 1.00 0.00 C ATOM 316 C HIS A 70 -0.400 16.488 1.868 1.00 0.00 C ATOM 317 O HIS A 70 -1.401 16.251 1.192 1.00 0.00 O ATOM 318 CB HIS A 70 -0.724 15.937 4.287 1.00 0.00 C ATOM 319 CG HIS A 70 -0.750 14.841 5.307 1.00 0.00 C ATOM 320 ND1 HIS A 70 -0.662 15.074 6.664 1.00 0.00 N ATOM 321 CD2 HIS A 70 -0.858 13.500 5.164 1.00 0.00 C ATOM 322 CE1 HIS A 70 -0.714 13.923 7.310 1.00 0.00 C ATOM 323 NE2 HIS A 70 -0.832 12.952 6.424 1.00 0.00 N ATOM 0 H HIS A 70 1.760 16.295 3.898 1.00 0.00 H new ATOM 0 HA HIS A 70 -0.255 14.536 2.724 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -0.249 16.817 4.722 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -1.748 16.217 4.039 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -0.948 12.960 4.233 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -0.668 13.798 8.382 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -0.894 11.957 6.639 1.00 0.00 H new ATOM 331 N ARG A 71 0.376 17.548 1.664 1.00 0.00 N ATOM 332 CA ARG A 71 0.087 18.513 0.610 1.00 0.00 C ATOM 333 C ARG A 71 0.561 18.000 -0.747 1.00 0.00 C ATOM 334 O ARG A 71 -0.088 18.225 -1.768 1.00 0.00 O ATOM 335 CB ARG A 71 0.753 19.855 0.923 1.00 0.00 C ATOM 336 CG ARG A 71 -0.194 20.876 1.535 1.00 0.00 C ATOM 337 CD ARG A 71 0.386 22.279 1.474 1.00 0.00 C ATOM 338 NE ARG A 71 -0.411 23.235 2.240 1.00 0.00 N ATOM 339 CZ ARG A 71 0.039 24.420 2.644 1.00 0.00 C ATOM 340 NH1 ARG A 71 1.279 24.800 2.359 1.00 0.00 N ATOM 341 NH2 ARG A 71 -0.753 25.228 3.335 1.00 0.00 N ATOM 0 H ARG A 71 1.208 17.760 2.214 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.993 18.652 0.566 1.00 0.00 H new ATOM 0 HB2 ARG A 71 1.585 19.688 1.607 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.173 20.266 0.005 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -1.147 20.852 1.007 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -0.397 20.610 2.572 1.00 0.00 H new ATOM 0 HD2 ARG A 71 1.406 22.267 1.859 1.00 0.00 H new ATOM 0 HD3 ARG A 71 0.441 22.604 0.435 1.00 0.00 H new ATOM 0 HE ARG A 71 -1.369 22.979 2.479 1.00 0.00 H new ATOM 0 HH11 ARG A 71 1.892 24.182 1.828 1.00 0.00 H new ATOM 0 HH12 ARG A 71 1.618 25.710 2.672 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -1.706 24.941 3.556 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -0.409 26.137 3.645 1.00 0.00 H new ATOM 355 N ARG A 72 1.697 17.310 -0.750 1.00 0.00 N ATOM 356 CA ARG A 72 2.256 16.766 -1.981 1.00 0.00 C ATOM 357 C ARG A 72 1.312 15.740 -2.600 1.00 0.00 C ATOM 358 O ARG A 72 1.004 15.803 -3.790 1.00 0.00 O ATOM 359 CB ARG A 72 3.618 16.124 -1.709 1.00 0.00 C ATOM 360 CG ARG A 72 4.405 15.809 -2.968 1.00 0.00 C ATOM 361 CD ARG A 72 5.643 14.983 -2.660 1.00 0.00 C ATOM 362 NE ARG A 72 6.745 15.809 -2.172 1.00 0.00 N ATOM 363 CZ ARG A 72 8.017 15.417 -2.158 1.00 0.00 C ATOM 364 NH1 ARG A 72 8.351 14.213 -2.605 1.00 0.00 N ATOM 365 NH2 ARG A 72 8.956 16.231 -1.696 1.00 0.00 N ATOM 0 H ARG A 72 2.248 17.115 0.086 1.00 0.00 H new ATOM 0 HA ARG A 72 2.384 17.588 -2.686 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.206 16.793 -1.081 1.00 0.00 H new ATOM 0 HB3 ARG A 72 3.470 15.204 -1.144 1.00 0.00 H new ATOM 0 HG2 ARG A 72 3.770 15.267 -3.669 1.00 0.00 H new ATOM 0 HG3 ARG A 72 4.699 16.738 -3.457 1.00 0.00 H new ATOM 0 HD2 ARG A 72 5.398 14.227 -1.913 1.00 0.00 H new ATOM 0 HD3 ARG A 72 5.958 14.453 -3.559 1.00 0.00 H new ATOM 0 HE ARG A 72 6.527 16.742 -1.821 1.00 0.00 H new ATOM 0 HH11 ARG A 72 7.632 13.584 -2.961 1.00 0.00 H new ATOM 0 HH12 ARG A 72 9.327 13.917 -2.592 1.00 0.00 H new ATOM 0 HH21 ARG A 72 8.704 17.157 -1.351 1.00 0.00 H new ATOM 0 HH22 ARG A 72 9.931 15.931 -1.685 1.00 0.00 H new ATOM 379 N HIS A 73 0.857 14.795 -1.784 1.00 0.00 N ATOM 380 CA HIS A 73 -0.053 13.754 -2.250 1.00 0.00 C ATOM 381 C HIS A 73 -1.478 14.286 -2.395 1.00 0.00 C ATOM 382 O HIS A 73 -2.350 13.600 -2.928 1.00 0.00 O ATOM 383 CB HIS A 73 -0.034 12.567 -1.285 1.00 0.00 C ATOM 384 CG HIS A 73 1.322 11.957 -1.112 1.00 0.00 C ATOM 385 ND1 HIS A 73 2.179 11.713 -2.166 1.00 0.00 N ATOM 386 CD2 HIS A 73 1.972 11.544 0.002 1.00 0.00 C ATOM 387 CE1 HIS A 73 3.295 11.174 -1.708 1.00 0.00 C ATOM 388 NE2 HIS A 73 3.194 11.061 -0.397 1.00 0.00 N ATOM 0 H HIS A 73 1.103 14.728 -0.796 1.00 0.00 H new ATOM 0 HA HIS A 73 0.287 13.426 -3.232 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -0.403 12.894 -0.313 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -0.723 11.804 -1.647 1.00 0.00 H new ATOM 0 HD2 HIS A 73 1.599 11.587 1.015 1.00 0.00 H new ATOM 0 HE1 HIS A 73 4.145 10.877 -2.305 1.00 0.00 H new ATOM 0 HE2 HIS A 73 3.909 10.677 0.221 1.00 0.00 H new ATOM 396 N LYS A 74 -1.713 15.507 -1.920 1.00 0.00 N ATOM 397 CA LYS A 74 -3.034 16.120 -2.000 1.00 0.00 C ATOM 398 C LYS A 74 -4.041 15.361 -1.141 1.00 0.00 C ATOM 399 O LYS A 74 -5.228 15.307 -1.460 1.00 0.00 O ATOM 400 CB LYS A 74 -3.514 16.163 -3.453 1.00 0.00 C ATOM 401 CG LYS A 74 -4.272 17.433 -3.805 1.00 0.00 C ATOM 402 CD LYS A 74 -3.840 17.986 -5.154 1.00 0.00 C ATOM 403 CE LYS A 74 -4.610 19.247 -5.511 1.00 0.00 C ATOM 404 NZ LYS A 74 -5.744 18.965 -6.432 1.00 0.00 N ATOM 0 H LYS A 74 -1.004 16.091 -1.476 1.00 0.00 H new ATOM 0 HA LYS A 74 -2.956 17.139 -1.621 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -2.653 16.068 -4.115 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -4.156 15.302 -3.641 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -5.342 17.226 -3.822 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -4.104 18.184 -3.033 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -2.772 18.204 -5.134 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -3.997 17.232 -5.925 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -4.989 19.710 -4.600 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -3.935 19.965 -5.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -6.243 19.851 -6.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -5.381 18.546 -7.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -6.403 18.300 -5.978 1.00 0.00 H new ATOM 418 N VAL A 75 -3.557 14.781 -0.047 1.00 0.00 N ATOM 419 CA VAL A 75 -4.414 14.028 0.860 1.00 0.00 C ATOM 420 C VAL A 75 -4.176 14.446 2.308 1.00 0.00 C ATOM 421 O VAL A 75 -3.048 14.730 2.706 1.00 0.00 O ATOM 422 CB VAL A 75 -4.178 12.509 0.726 1.00 0.00 C ATOM 423 CG1 VAL A 75 -2.742 12.153 1.084 1.00 0.00 C ATOM 424 CG2 VAL A 75 -5.160 11.734 1.593 1.00 0.00 C ATOM 0 H VAL A 75 -2.577 14.818 0.232 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.445 14.251 0.584 1.00 0.00 H new ATOM 0 HB VAL A 75 -4.347 12.228 -0.313 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -2.598 11.077 0.983 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -2.060 12.675 0.413 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -2.539 12.451 2.113 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -4.977 10.665 1.484 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -5.028 12.020 2.637 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -6.179 11.961 1.280 1.00 0.00 H new ATOM 434 N CYS A 76 -5.250 14.484 3.092 1.00 0.00 N ATOM 435 CA CYS A 76 -5.154 14.869 4.495 1.00 0.00 C ATOM 436 C CYS A 76 -4.918 13.647 5.378 1.00 0.00 C ATOM 437 O CYS A 76 -4.964 12.511 4.909 1.00 0.00 O ATOM 438 CB CYS A 76 -6.424 15.608 4.932 1.00 0.00 C ATOM 439 SG CYS A 76 -7.877 14.549 5.131 1.00 0.00 S ATOM 0 H CYS A 76 -6.193 14.254 2.780 1.00 0.00 H new ATOM 0 HA CYS A 76 -4.302 15.540 4.608 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -6.227 16.115 5.877 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -6.651 16.380 4.197 1.00 0.00 H new ATOM 444 N GLU A 77 -4.661 13.891 6.661 1.00 0.00 N ATOM 445 CA GLU A 77 -4.414 12.811 7.609 1.00 0.00 C ATOM 446 C GLU A 77 -5.655 11.944 7.795 1.00 0.00 C ATOM 447 O GLU A 77 -5.556 10.729 7.963 1.00 0.00 O ATOM 448 CB GLU A 77 -3.971 13.383 8.957 1.00 0.00 C ATOM 449 CG GLU A 77 -2.917 12.542 9.657 1.00 0.00 C ATOM 450 CD GLU A 77 -2.218 13.293 10.773 1.00 0.00 C ATOM 451 OE1 GLU A 77 -1.404 14.189 10.466 1.00 0.00 O ATOM 452 OE2 GLU A 77 -2.483 12.984 11.954 1.00 0.00 O ATOM 0 H GLU A 77 -4.619 14.826 7.066 1.00 0.00 H new ATOM 0 HA GLU A 77 -3.619 12.185 7.204 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -3.579 14.389 8.805 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -4.841 13.475 9.607 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -3.385 11.646 10.065 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -2.177 12.212 8.927 1.00 0.00 H new ATOM 459 N VAL A 78 -6.826 12.575 7.762 1.00 0.00 N ATOM 460 CA VAL A 78 -8.085 11.856 7.931 1.00 0.00 C ATOM 461 C VAL A 78 -8.247 10.764 6.878 1.00 0.00 C ATOM 462 O VAL A 78 -8.809 9.704 7.151 1.00 0.00 O ATOM 463 CB VAL A 78 -9.292 12.809 7.852 1.00 0.00 C ATOM 464 CG1 VAL A 78 -10.576 12.079 8.211 1.00 0.00 C ATOM 465 CG2 VAL A 78 -9.082 14.012 8.759 1.00 0.00 C ATOM 0 H VAL A 78 -6.929 13.580 7.620 1.00 0.00 H new ATOM 0 HA VAL A 78 -8.053 11.399 8.920 1.00 0.00 H new ATOM 0 HB VAL A 78 -9.382 13.167 6.826 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -11.417 12.770 8.149 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.732 11.254 7.516 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -10.501 11.689 9.226 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -9.945 14.675 8.690 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -8.964 13.675 9.789 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -8.186 14.550 8.449 1.00 0.00 H new ATOM 475 N HIS A 79 -7.752 11.029 5.673 1.00 0.00 N ATOM 476 CA HIS A 79 -7.844 10.066 4.583 1.00 0.00 C ATOM 477 C HIS A 79 -6.529 9.314 4.403 1.00 0.00 C ATOM 478 O HIS A 79 -6.513 8.171 3.944 1.00 0.00 O ATOM 479 CB HIS A 79 -8.224 10.773 3.280 1.00 0.00 C ATOM 480 CG HIS A 79 -9.674 11.135 3.199 1.00 0.00 C ATOM 481 ND1 HIS A 79 -10.125 12.437 3.144 1.00 0.00 N ATOM 482 CD2 HIS A 79 -10.782 10.357 3.165 1.00 0.00 C ATOM 483 CE1 HIS A 79 -11.444 12.446 3.079 1.00 0.00 C ATOM 484 NE2 HIS A 79 -11.868 11.196 3.090 1.00 0.00 N ATOM 0 H HIS A 79 -7.284 11.901 5.428 1.00 0.00 H new ATOM 0 HA HIS A 79 -8.620 9.344 4.837 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -7.625 11.678 3.179 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -7.971 10.128 2.439 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -10.807 9.278 3.192 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -12.069 13.325 3.026 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -12.843 10.901 3.049 1.00 0.00 H new ATOM 491 N ALA A 80 -5.427 9.962 4.767 1.00 0.00 N ATOM 492 CA ALA A 80 -4.108 9.351 4.646 1.00 0.00 C ATOM 493 C ALA A 80 -3.946 8.194 5.626 1.00 0.00 C ATOM 494 O ALA A 80 -3.223 7.236 5.356 1.00 0.00 O ATOM 495 CB ALA A 80 -3.024 10.394 4.871 1.00 0.00 C ATOM 0 H ALA A 80 -5.421 10.908 5.148 1.00 0.00 H new ATOM 0 HA ALA A 80 -4.009 8.951 3.637 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -2.044 9.926 4.778 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -3.120 11.185 4.127 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -3.130 10.819 5.869 1.00 0.00 H new ATOM 501 N LYS A 81 -4.623 8.291 6.767 1.00 0.00 N ATOM 502 CA LYS A 81 -4.552 7.252 7.787 1.00 0.00 C ATOM 503 C LYS A 81 -5.674 6.234 7.607 1.00 0.00 C ATOM 504 O LYS A 81 -5.488 5.041 7.843 1.00 0.00 O ATOM 505 CB LYS A 81 -4.631 7.873 9.184 1.00 0.00 C ATOM 506 CG LYS A 81 -3.272 8.111 9.822 1.00 0.00 C ATOM 507 CD LYS A 81 -3.363 9.101 10.972 1.00 0.00 C ATOM 508 CE LYS A 81 -3.855 8.432 12.245 1.00 0.00 C ATOM 509 NZ LYS A 81 -3.743 9.333 13.425 1.00 0.00 N ATOM 0 H LYS A 81 -5.226 9.078 7.007 1.00 0.00 H new ATOM 0 HA LYS A 81 -3.598 6.737 7.679 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -5.165 8.821 9.121 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -5.217 7.220 9.830 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -2.869 7.166 10.185 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -2.577 8.487 9.071 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -2.384 9.546 11.149 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -4.038 9.913 10.702 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -4.894 8.129 12.117 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -3.278 7.525 12.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -4.089 8.839 14.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -2.748 9.603 13.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -4.314 10.187 13.265 1.00 0.00 H new ATOM 523 N ALA A 82 -6.840 6.716 7.188 1.00 0.00 N ATOM 524 CA ALA A 82 -7.994 5.848 6.976 1.00 0.00 C ATOM 525 C ALA A 82 -7.685 4.763 5.950 1.00 0.00 C ATOM 526 O ALA A 82 -7.177 5.046 4.865 1.00 0.00 O ATOM 527 CB ALA A 82 -9.196 6.668 6.533 1.00 0.00 C ATOM 0 H ALA A 82 -7.011 7.702 6.989 1.00 0.00 H new ATOM 0 HA ALA A 82 -8.229 5.360 7.922 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -10.050 6.008 6.378 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -9.439 7.402 7.301 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -8.962 7.183 5.601 1.00 0.00 H new ATOM 533 N SER A 83 -7.993 3.519 6.302 1.00 0.00 N ATOM 534 CA SER A 83 -7.751 2.391 5.412 1.00 0.00 C ATOM 535 C SER A 83 -9.036 1.965 4.710 1.00 0.00 C ATOM 536 O SER A 83 -9.265 0.777 4.480 1.00 0.00 O ATOM 537 CB SER A 83 -7.165 1.214 6.192 1.00 0.00 C ATOM 538 OG SER A 83 -7.926 0.947 7.359 1.00 0.00 O ATOM 0 H SER A 83 -8.411 3.267 7.198 1.00 0.00 H new ATOM 0 HA SER A 83 -7.034 2.706 4.654 1.00 0.00 H new ATOM 0 HB2 SER A 83 -7.143 0.328 5.558 1.00 0.00 H new ATOM 0 HB3 SER A 83 -6.134 1.434 6.469 1.00 0.00 H new ATOM 0 HG SER A 83 -7.532 0.189 7.840 1.00 0.00 H new ATOM 544 N SER A 84 -9.871 2.942 4.373 1.00 0.00 N ATOM 545 CA SER A 84 -11.134 2.669 3.696 1.00 0.00 C ATOM 546 C SER A 84 -11.864 3.967 3.367 1.00 0.00 C ATOM 547 O SER A 84 -12.799 4.360 4.065 1.00 0.00 O ATOM 548 CB SER A 84 -12.022 1.777 4.568 1.00 0.00 C ATOM 549 OG SER A 84 -11.713 1.936 5.942 1.00 0.00 O ATOM 0 H SER A 84 -9.696 3.930 4.557 1.00 0.00 H new ATOM 0 HA SER A 84 -10.914 2.149 2.763 1.00 0.00 H new ATOM 0 HB2 SER A 84 -13.070 2.024 4.397 1.00 0.00 H new ATOM 0 HB3 SER A 84 -11.889 0.734 4.281 1.00 0.00 H new ATOM 0 HG SER A 84 -12.295 1.357 6.477 1.00 0.00 H new ATOM 555 N VAL A 85 -11.433 4.628 2.297 1.00 0.00 N ATOM 556 CA VAL A 85 -12.048 5.882 1.876 1.00 0.00 C ATOM 557 C VAL A 85 -13.206 5.629 0.918 1.00 0.00 C ATOM 558 O VAL A 85 -13.274 4.583 0.272 1.00 0.00 O ATOM 559 CB VAL A 85 -11.027 6.812 1.192 1.00 0.00 C ATOM 560 CG1 VAL A 85 -11.585 8.222 1.076 1.00 0.00 C ATOM 561 CG2 VAL A 85 -9.708 6.813 1.949 1.00 0.00 C ATOM 0 H VAL A 85 -10.662 4.317 1.707 1.00 0.00 H new ATOM 0 HA VAL A 85 -12.421 6.368 2.778 1.00 0.00 H new ATOM 0 HB VAL A 85 -10.839 6.435 0.187 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -10.851 8.865 0.591 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -12.500 8.204 0.483 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -11.805 8.609 2.071 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -9.002 7.476 1.449 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -9.874 7.162 2.968 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -9.302 5.802 1.973 1.00 0.00 H new ATOM 571 N PHE A 86 -14.116 6.594 0.829 1.00 0.00 N ATOM 572 CA PHE A 86 -15.271 6.476 -0.053 1.00 0.00 C ATOM 573 C PHE A 86 -15.068 7.289 -1.327 1.00 0.00 C ATOM 574 O PHE A 86 -15.745 8.293 -1.552 1.00 0.00 O ATOM 575 CB PHE A 86 -16.539 6.939 0.669 1.00 0.00 C ATOM 576 CG PHE A 86 -17.768 6.171 0.274 1.00 0.00 C ATOM 577 CD1 PHE A 86 -17.920 4.844 0.642 1.00 0.00 C ATOM 578 CD2 PHE A 86 -18.771 6.778 -0.464 1.00 0.00 C ATOM 579 CE1 PHE A 86 -19.050 4.135 0.279 1.00 0.00 C ATOM 580 CE2 PHE A 86 -19.903 6.074 -0.830 1.00 0.00 C ATOM 581 CZ PHE A 86 -20.041 4.751 -0.458 1.00 0.00 C ATOM 0 H PHE A 86 -14.076 7.466 1.357 1.00 0.00 H new ATOM 0 HA PHE A 86 -15.382 5.427 -0.329 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -16.391 6.843 1.745 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -16.699 7.997 0.462 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -17.147 4.358 1.219 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -18.667 7.812 -0.757 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -19.157 3.101 0.572 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -20.678 6.558 -1.406 1.00 0.00 H new ATOM 0 HZ PHE A 86 -20.924 4.199 -0.744 1.00 0.00 H new ATOM 591 N LEU A 87 -14.129 6.850 -2.157 1.00 0.00 N ATOM 592 CA LEU A 87 -13.833 7.533 -3.410 1.00 0.00 C ATOM 593 C LEU A 87 -14.652 6.952 -4.556 1.00 0.00 C ATOM 594 O LEU A 87 -14.591 5.753 -4.831 1.00 0.00 O ATOM 595 CB LEU A 87 -12.341 7.430 -3.729 1.00 0.00 C ATOM 596 CG LEU A 87 -11.835 8.402 -4.797 1.00 0.00 C ATOM 597 CD1 LEU A 87 -12.177 9.834 -4.417 1.00 0.00 C ATOM 598 CD2 LEU A 87 -10.336 8.241 -4.995 1.00 0.00 C ATOM 0 H LEU A 87 -13.559 6.022 -1.984 1.00 0.00 H new ATOM 0 HA LEU A 87 -14.102 8.583 -3.294 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -11.777 7.598 -2.811 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -12.125 6.413 -4.055 1.00 0.00 H new ATOM 0 HG LEU A 87 -12.331 8.171 -5.740 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -11.810 10.512 -5.187 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -13.258 9.938 -4.327 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -11.708 10.079 -3.464 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -9.993 8.940 -5.758 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -9.821 8.446 -4.057 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -10.118 7.221 -5.313 1.00 0.00 H new ATOM 610 N SER A 88 -15.420 7.807 -5.224 1.00 0.00 N ATOM 611 CA SER A 88 -16.252 7.378 -6.342 1.00 0.00 C ATOM 612 C SER A 88 -17.265 6.330 -5.894 1.00 0.00 C ATOM 613 O SER A 88 -17.629 5.437 -6.659 1.00 0.00 O ATOM 614 CB SER A 88 -15.379 6.812 -7.465 1.00 0.00 C ATOM 615 OG SER A 88 -14.314 7.693 -7.776 1.00 0.00 O ATOM 0 H SER A 88 -15.483 8.802 -5.010 1.00 0.00 H new ATOM 0 HA SER A 88 -16.795 8.247 -6.714 1.00 0.00 H new ATOM 0 HB2 SER A 88 -14.978 5.844 -7.165 1.00 0.00 H new ATOM 0 HB3 SER A 88 -15.988 6.644 -8.354 1.00 0.00 H new ATOM 0 HG SER A 88 -13.770 7.308 -8.495 1.00 0.00 H new ATOM 621 N GLY A 89 -17.717 6.446 -4.650 1.00 0.00 N ATOM 622 CA GLY A 89 -18.685 5.501 -4.122 1.00 0.00 C ATOM 623 C GLY A 89 -18.114 4.103 -3.985 1.00 0.00 C ATOM 624 O GLY A 89 -18.817 3.116 -4.192 1.00 0.00 O ATOM 0 H GLY A 89 -17.431 7.176 -3.998 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -19.031 5.846 -3.148 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -19.555 5.472 -4.778 1.00 0.00 H new ATOM 628 N LEU A 90 -16.834 4.021 -3.637 1.00 0.00 N ATOM 629 CA LEU A 90 -16.167 2.734 -3.474 1.00 0.00 C ATOM 630 C LEU A 90 -15.139 2.795 -2.349 1.00 0.00 C ATOM 631 O LEU A 90 -14.611 3.861 -2.032 1.00 0.00 O ATOM 632 CB LEU A 90 -15.493 2.318 -4.784 1.00 0.00 C ATOM 633 CG LEU A 90 -16.114 1.100 -5.472 1.00 0.00 C ATOM 634 CD1 LEU A 90 -16.125 1.286 -6.982 1.00 0.00 C ATOM 635 CD2 LEU A 90 -15.357 -0.166 -5.095 1.00 0.00 C ATOM 0 H LEU A 90 -16.238 4.830 -3.462 1.00 0.00 H new ATOM 0 HA LEU A 90 -16.919 1.990 -3.211 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -15.523 3.161 -5.474 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -14.443 2.107 -4.584 1.00 0.00 H new ATOM 0 HG LEU A 90 -17.145 1.000 -5.132 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -16.570 0.410 -7.453 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -16.709 2.171 -7.235 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -15.103 1.411 -7.341 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -15.811 -1.023 -5.592 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -14.317 -0.074 -5.407 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -15.401 -0.308 -4.015 1.00 0.00 H new ATOM 647 N ASN A 91 -14.858 1.643 -1.748 1.00 0.00 N ATOM 648 CA ASN A 91 -13.891 1.564 -0.659 1.00 0.00 C ATOM 649 C ASN A 91 -12.472 1.432 -1.200 1.00 0.00 C ATOM 650 O ASN A 91 -12.120 0.420 -1.808 1.00 0.00 O ATOM 651 CB ASN A 91 -14.214 0.380 0.253 1.00 0.00 C ATOM 652 CG ASN A 91 -15.131 0.763 1.398 1.00 0.00 C ATOM 653 OD1 ASN A 91 -14.680 1.263 2.428 1.00 0.00 O ATOM 654 ND2 ASN A 91 -16.427 0.530 1.223 1.00 0.00 N ATOM 0 H ASN A 91 -15.286 0.751 -1.997 1.00 0.00 H new ATOM 0 HA ASN A 91 -13.956 2.486 -0.082 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -14.682 -0.410 -0.334 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -13.287 -0.028 0.655 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -17.092 0.768 1.959 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -16.757 0.114 0.352 1.00 0.00 H new ATOM 661 N GLN A 92 -11.658 2.458 -0.973 1.00 0.00 N ATOM 662 CA GLN A 92 -10.276 2.452 -1.437 1.00 0.00 C ATOM 663 C GLN A 92 -9.314 2.723 -0.284 1.00 0.00 C ATOM 664 O GLN A 92 -9.583 3.559 0.579 1.00 0.00 O ATOM 665 CB GLN A 92 -10.083 3.500 -2.538 1.00 0.00 C ATOM 666 CG GLN A 92 -10.008 2.904 -3.935 1.00 0.00 C ATOM 667 CD GLN A 92 -10.375 3.903 -5.015 1.00 0.00 C ATOM 668 OE1 GLN A 92 -9.530 4.664 -5.485 1.00 0.00 O ATOM 669 NE2 GLN A 92 -11.642 3.903 -5.414 1.00 0.00 N ATOM 0 H GLN A 92 -11.931 3.303 -0.471 1.00 0.00 H new ATOM 0 HA GLN A 92 -10.057 1.464 -1.843 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -10.907 4.212 -2.499 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -9.168 4.059 -2.340 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -8.998 2.535 -4.115 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -10.677 2.046 -3.996 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -12.308 3.254 -4.996 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -11.949 4.552 -6.139 1.00 0.00 H new ATOM 678 N ARG A 93 -8.193 2.010 -0.278 1.00 0.00 N ATOM 679 CA ARG A 93 -7.190 2.171 0.769 1.00 0.00 C ATOM 680 C ARG A 93 -5.925 2.818 0.215 1.00 0.00 C ATOM 681 O ARG A 93 -5.340 2.332 -0.752 1.00 0.00 O ATOM 682 CB ARG A 93 -6.853 0.815 1.393 1.00 0.00 C ATOM 683 CG ARG A 93 -5.880 0.905 2.558 1.00 0.00 C ATOM 684 CD ARG A 93 -5.356 -0.464 2.970 1.00 0.00 C ATOM 685 NE ARG A 93 -6.401 -1.489 2.946 1.00 0.00 N ATOM 686 CZ ARG A 93 -6.669 -2.313 3.960 1.00 0.00 C ATOM 687 NH1 ARG A 93 -5.968 -2.253 5.086 1.00 0.00 N ATOM 688 NH2 ARG A 93 -7.642 -3.206 3.842 1.00 0.00 N ATOM 0 H ARG A 93 -7.956 1.315 -0.986 1.00 0.00 H new ATOM 0 HA ARG A 93 -7.603 2.824 1.537 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -7.774 0.343 1.736 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -6.429 0.167 0.626 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -5.043 1.546 2.282 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -6.375 1.375 3.408 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -4.547 -0.757 2.301 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -4.934 -0.402 3.973 1.00 0.00 H new ATOM 0 HE ARG A 93 -6.961 -1.579 2.098 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -5.215 -1.571 5.182 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -6.182 -2.888 5.855 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -8.182 -3.261 2.978 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -7.850 -3.838 4.615 1.00 0.00 H new ATOM 702 N PHE A 94 -5.511 3.918 0.834 1.00 0.00 N ATOM 703 CA PHE A 94 -4.315 4.636 0.403 1.00 0.00 C ATOM 704 C PHE A 94 -3.090 3.730 0.454 1.00 0.00 C ATOM 705 O PHE A 94 -2.444 3.601 1.495 1.00 0.00 O ATOM 706 CB PHE A 94 -4.092 5.868 1.282 1.00 0.00 C ATOM 707 CG PHE A 94 -2.977 6.753 0.802 1.00 0.00 C ATOM 708 CD1 PHE A 94 -3.140 7.548 -0.321 1.00 0.00 C ATOM 709 CD2 PHE A 94 -1.766 6.788 1.474 1.00 0.00 C ATOM 710 CE1 PHE A 94 -2.116 8.362 -0.764 1.00 0.00 C ATOM 711 CE2 PHE A 94 -0.738 7.601 1.035 1.00 0.00 C ATOM 712 CZ PHE A 94 -0.913 8.389 -0.086 1.00 0.00 C ATOM 0 H PHE A 94 -5.985 4.333 1.636 1.00 0.00 H new ATOM 0 HA PHE A 94 -4.464 4.956 -0.628 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -5.014 6.448 1.322 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -3.875 5.544 2.300 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -4.078 7.531 -0.856 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -1.624 6.173 2.351 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -2.256 8.977 -1.640 1.00 0.00 H new ATOM 0 HE2 PHE A 94 0.201 7.620 1.568 1.00 0.00 H new ATOM 0 HZ PHE A 94 -0.111 9.025 -0.431 1.00 0.00 H new ATOM 722 N CYS A 95 -2.772 3.105 -0.675 1.00 0.00 N ATOM 723 CA CYS A 95 -1.622 2.213 -0.758 1.00 0.00 C ATOM 724 C CYS A 95 -0.322 3.007 -0.846 1.00 0.00 C ATOM 725 O CYS A 95 0.033 3.521 -1.906 1.00 0.00 O ATOM 726 CB CYS A 95 -1.753 1.285 -1.968 1.00 0.00 C ATOM 727 SG CYS A 95 -0.316 0.223 -2.248 1.00 0.00 S ATOM 0 H CYS A 95 -3.295 3.200 -1.545 1.00 0.00 H new ATOM 0 HA CYS A 95 -1.596 1.610 0.150 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -2.634 0.657 -1.836 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -1.923 1.890 -2.859 1.00 0.00 H new ATOM 732 N GLN A 96 0.384 3.099 0.275 1.00 0.00 N ATOM 733 CA GLN A 96 1.647 3.827 0.325 1.00 0.00 C ATOM 734 C GLN A 96 2.707 3.139 -0.531 1.00 0.00 C ATOM 735 O GLN A 96 3.649 3.778 -1.003 1.00 0.00 O ATOM 736 CB GLN A 96 2.136 3.944 1.769 1.00 0.00 C ATOM 737 CG GLN A 96 3.133 5.071 1.985 1.00 0.00 C ATOM 738 CD GLN A 96 4.049 4.820 3.167 1.00 0.00 C ATOM 739 OE1 GLN A 96 3.946 3.795 3.841 1.00 0.00 O ATOM 740 NE2 GLN A 96 4.950 5.759 3.427 1.00 0.00 N ATOM 0 H GLN A 96 0.104 2.679 1.161 1.00 0.00 H new ATOM 0 HA GLN A 96 1.477 4.827 -0.075 1.00 0.00 H new ATOM 0 HB2 GLN A 96 1.278 4.099 2.423 1.00 0.00 H new ATOM 0 HB3 GLN A 96 2.596 3.001 2.065 1.00 0.00 H new ATOM 0 HG2 GLN A 96 3.734 5.197 1.084 1.00 0.00 H new ATOM 0 HG3 GLN A 96 2.592 6.005 2.141 1.00 0.00 H new ATOM 0 HE21 GLN A 96 5.001 6.593 2.842 1.00 0.00 H new ATOM 0 HE22 GLN A 96 5.592 5.646 4.212 1.00 0.00 H new ATOM 749 N GLN A 97 2.551 1.833 -0.726 1.00 0.00 N ATOM 750 CA GLN A 97 3.496 1.058 -1.524 1.00 0.00 C ATOM 751 C GLN A 97 3.618 1.631 -2.934 1.00 0.00 C ATOM 752 O GLN A 97 4.714 1.704 -3.491 1.00 0.00 O ATOM 753 CB GLN A 97 3.058 -0.408 -1.589 1.00 0.00 C ATOM 754 CG GLN A 97 4.024 -1.360 -0.904 1.00 0.00 C ATOM 755 CD GLN A 97 4.190 -2.666 -1.658 1.00 0.00 C ATOM 756 OE1 GLN A 97 3.953 -3.744 -1.116 1.00 0.00 O ATOM 757 NE2 GLN A 97 4.599 -2.572 -2.919 1.00 0.00 N ATOM 0 H GLN A 97 1.779 1.289 -0.342 1.00 0.00 H new ATOM 0 HA GLN A 97 4.473 1.116 -1.044 1.00 0.00 H new ATOM 0 HB2 GLN A 97 2.075 -0.506 -1.128 1.00 0.00 H new ATOM 0 HB3 GLN A 97 2.951 -0.701 -2.633 1.00 0.00 H new ATOM 0 HG2 GLN A 97 4.996 -0.876 -0.805 1.00 0.00 H new ATOM 0 HG3 GLN A 97 3.668 -1.570 0.104 1.00 0.00 H new ATOM 0 HE21 GLN A 97 4.784 -1.656 -3.328 1.00 0.00 H new ATOM 0 HE22 GLN A 97 4.728 -3.416 -3.478 1.00 0.00 H new ATOM 766 N CYS A 98 2.489 2.038 -3.505 1.00 0.00 N ATOM 767 CA CYS A 98 2.474 2.604 -4.850 1.00 0.00 C ATOM 768 C CYS A 98 2.053 4.074 -4.829 1.00 0.00 C ATOM 769 O CYS A 98 1.800 4.671 -5.873 1.00 0.00 O ATOM 770 CB CYS A 98 1.530 1.804 -5.749 1.00 0.00 C ATOM 771 SG CYS A 98 1.757 0.014 -5.651 1.00 0.00 S ATOM 0 H CYS A 98 1.573 1.987 -3.058 1.00 0.00 H new ATOM 0 HA CYS A 98 3.487 2.546 -5.249 1.00 0.00 H new ATOM 0 HB2 CYS A 98 0.501 2.044 -5.482 1.00 0.00 H new ATOM 0 HB3 CYS A 98 1.673 2.122 -6.782 1.00 0.00 H new ATOM 776 N SER A 99 1.978 4.655 -3.633 1.00 0.00 N ATOM 777 CA SER A 99 1.593 6.055 -3.481 1.00 0.00 C ATOM 778 C SER A 99 0.249 6.354 -4.148 1.00 0.00 C ATOM 779 O SER A 99 -0.104 7.517 -4.348 1.00 0.00 O ATOM 780 CB SER A 99 2.673 6.965 -4.069 1.00 0.00 C ATOM 781 OG SER A 99 2.393 8.328 -3.806 1.00 0.00 O ATOM 0 H SER A 99 2.179 4.177 -2.755 1.00 0.00 H new ATOM 0 HA SER A 99 1.488 6.250 -2.414 1.00 0.00 H new ATOM 0 HB2 SER A 99 3.643 6.702 -3.647 1.00 0.00 H new ATOM 0 HB3 SER A 99 2.740 6.806 -5.145 1.00 0.00 H new ATOM 0 HG SER A 99 1.455 8.516 -4.018 1.00 0.00 H new ATOM 787 N ARG A 100 -0.502 5.309 -4.484 1.00 0.00 N ATOM 788 CA ARG A 100 -1.804 5.482 -5.119 1.00 0.00 C ATOM 789 C ARG A 100 -2.882 4.718 -4.359 1.00 0.00 C ATOM 790 O ARG A 100 -2.581 3.915 -3.475 1.00 0.00 O ATOM 791 CB ARG A 100 -1.756 5.014 -6.576 1.00 0.00 C ATOM 792 CG ARG A 100 -1.140 3.638 -6.753 1.00 0.00 C ATOM 793 CD ARG A 100 -1.484 3.044 -8.109 1.00 0.00 C ATOM 794 NE ARG A 100 -0.505 2.044 -8.532 1.00 0.00 N ATOM 795 CZ ARG A 100 0.682 2.345 -9.054 1.00 0.00 C ATOM 796 NH1 ARG A 100 1.042 3.610 -9.219 1.00 0.00 N ATOM 797 NH2 ARG A 100 1.512 1.374 -9.411 1.00 0.00 N ATOM 0 H ARG A 100 -0.233 4.338 -4.328 1.00 0.00 H new ATOM 0 HA ARG A 100 -2.052 6.543 -5.099 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -2.769 5.004 -6.979 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -1.187 5.736 -7.162 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -0.057 3.707 -6.649 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -1.495 2.975 -5.964 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -2.473 2.588 -8.065 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -1.533 3.840 -8.852 1.00 0.00 H new ATOM 0 HE ARG A 100 -0.745 1.059 -8.421 1.00 0.00 H new ATOM 0 HH11 ARG A 100 0.408 4.361 -8.945 1.00 0.00 H new ATOM 0 HH12 ARG A 100 1.953 3.833 -9.620 1.00 0.00 H new ATOM 0 HH21 ARG A 100 1.240 0.399 -9.285 1.00 0.00 H new ATOM 0 HH22 ARG A 100 2.422 1.602 -9.811 1.00 0.00 H new ATOM 811 N PHE A 101 -4.139 4.971 -4.706 1.00 0.00 N ATOM 812 CA PHE A 101 -5.260 4.307 -4.052 1.00 0.00 C ATOM 813 C PHE A 101 -5.571 2.972 -4.720 1.00 0.00 C ATOM 814 O PHE A 101 -5.405 2.817 -5.930 1.00 0.00 O ATOM 815 CB PHE A 101 -6.498 5.206 -4.079 1.00 0.00 C ATOM 816 CG PHE A 101 -6.624 6.089 -2.870 1.00 0.00 C ATOM 817 CD1 PHE A 101 -6.963 5.554 -1.637 1.00 0.00 C ATOM 818 CD2 PHE A 101 -6.403 7.453 -2.967 1.00 0.00 C ATOM 819 CE1 PHE A 101 -7.079 6.364 -0.524 1.00 0.00 C ATOM 820 CE2 PHE A 101 -6.519 8.268 -1.857 1.00 0.00 C ATOM 821 CZ PHE A 101 -6.856 7.723 -0.634 1.00 0.00 C ATOM 0 H PHE A 101 -4.407 5.631 -5.436 1.00 0.00 H new ATOM 0 HA PHE A 101 -4.980 4.115 -3.016 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -6.465 5.829 -4.973 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -7.388 4.582 -4.158 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -7.138 4.492 -1.545 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -6.137 7.884 -3.921 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -7.344 5.935 0.431 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -6.346 9.330 -1.946 1.00 0.00 H new ATOM 0 HZ PHE A 101 -6.945 8.358 0.235 1.00 0.00 H new ATOM 831 N HIS A 102 -6.022 2.010 -3.921 1.00 0.00 N ATOM 832 CA HIS A 102 -6.357 0.685 -4.431 1.00 0.00 C ATOM 833 C HIS A 102 -7.719 0.235 -3.914 1.00 0.00 C ATOM 834 O HIS A 102 -8.142 0.626 -2.826 1.00 0.00 O ATOM 835 CB HIS A 102 -5.285 -0.327 -4.020 1.00 0.00 C ATOM 836 CG HIS A 102 -4.027 -0.226 -4.823 1.00 0.00 C ATOM 837 ND1 HIS A 102 -4.003 0.212 -6.131 1.00 0.00 N ATOM 838 CD2 HIS A 102 -2.740 -0.506 -4.499 1.00 0.00 C ATOM 839 CE1 HIS A 102 -2.759 0.197 -6.576 1.00 0.00 C ATOM 840 NE2 HIS A 102 -1.975 -0.232 -5.605 1.00 0.00 N ATOM 0 H HIS A 102 -6.164 2.123 -2.917 1.00 0.00 H new ATOM 0 HA HIS A 102 -6.399 0.740 -5.519 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -5.046 -0.183 -2.966 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -5.690 -1.334 -4.120 1.00 0.00 H new ATOM 0 HD1 HIS A 102 -4.819 0.502 -6.670 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -2.384 -0.875 -3.549 1.00 0.00 H new ATOM 0 HE1 HIS A 102 -2.438 0.487 -7.566 1.00 0.00 H new ATOM 848 N ASP A 103 -8.404 -0.587 -4.701 1.00 0.00 N ATOM 849 CA ASP A 103 -9.720 -1.090 -4.322 1.00 0.00 C ATOM 850 C ASP A 103 -9.645 -1.869 -3.013 1.00 0.00 C ATOM 851 O ASP A 103 -8.606 -2.441 -2.678 1.00 0.00 O ATOM 852 CB ASP A 103 -10.287 -1.981 -5.427 1.00 0.00 C ATOM 853 CG ASP A 103 -11.803 -1.996 -5.437 1.00 0.00 C ATOM 854 OD1 ASP A 103 -12.408 -0.905 -5.387 1.00 0.00 O ATOM 855 OD2 ASP A 103 -12.386 -3.099 -5.493 1.00 0.00 O ATOM 0 H ASP A 103 -8.070 -0.920 -5.606 1.00 0.00 H new ATOM 0 HA ASP A 103 -10.382 -0.236 -4.180 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -9.924 -1.632 -6.394 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -9.917 -2.998 -5.296 1.00 0.00 H new ATOM 860 N LEU A 104 -10.749 -1.889 -2.275 1.00 0.00 N ATOM 861 CA LEU A 104 -10.806 -2.600 -1.003 1.00 0.00 C ATOM 862 C LEU A 104 -10.474 -4.079 -1.185 1.00 0.00 C ATOM 863 O LEU A 104 -10.067 -4.753 -0.238 1.00 0.00 O ATOM 864 CB LEU A 104 -12.192 -2.451 -0.372 1.00 0.00 C ATOM 865 CG LEU A 104 -12.258 -2.770 1.123 1.00 0.00 C ATOM 866 CD1 LEU A 104 -11.325 -1.859 1.905 1.00 0.00 C ATOM 867 CD2 LEU A 104 -13.688 -2.635 1.632 1.00 0.00 C ATOM 0 H LEU A 104 -11.617 -1.421 -2.536 1.00 0.00 H new ATOM 0 HA LEU A 104 -10.062 -2.160 -0.339 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -12.537 -1.429 -0.526 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -12.887 -3.105 -0.899 1.00 0.00 H new ATOM 0 HG LEU A 104 -11.934 -3.800 1.271 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -11.386 -2.101 2.966 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -10.302 -2.002 1.558 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -11.618 -0.820 1.752 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -13.718 -2.865 2.697 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -14.037 -1.615 1.471 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -14.333 -3.328 1.092 1.00 0.00 H new ATOM 879 N GLN A 105 -10.649 -4.579 -2.406 1.00 0.00 N ATOM 880 CA GLN A 105 -10.367 -5.978 -2.709 1.00 0.00 C ATOM 881 C GLN A 105 -8.918 -6.163 -3.160 1.00 0.00 C ATOM 882 O GLN A 105 -8.642 -6.915 -4.095 1.00 0.00 O ATOM 883 CB GLN A 105 -11.320 -6.487 -3.792 1.00 0.00 C ATOM 884 CG GLN A 105 -12.614 -7.066 -3.240 1.00 0.00 C ATOM 885 CD GLN A 105 -13.827 -6.222 -3.584 1.00 0.00 C ATOM 886 OE1 GLN A 105 -14.801 -6.717 -4.151 1.00 0.00 O ATOM 887 NE2 GLN A 105 -13.772 -4.939 -3.242 1.00 0.00 N ATOM 0 H GLN A 105 -10.985 -4.035 -3.201 1.00 0.00 H new ATOM 0 HA GLN A 105 -10.518 -6.557 -1.798 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -11.558 -5.667 -4.469 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -10.812 -7.250 -4.382 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -12.754 -8.073 -3.634 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -12.534 -7.155 -2.157 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -12.944 -4.571 -2.773 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -14.558 -4.322 -3.448 1.00 0.00 H new ATOM 896 N GLU A 106 -7.997 -5.474 -2.492 1.00 0.00 N ATOM 897 CA GLU A 106 -6.580 -5.569 -2.827 1.00 0.00 C ATOM 898 C GLU A 106 -5.720 -5.599 -1.567 1.00 0.00 C ATOM 899 O GLU A 106 -4.552 -5.211 -1.593 1.00 0.00 O ATOM 900 CB GLU A 106 -6.165 -4.393 -3.713 1.00 0.00 C ATOM 901 CG GLU A 106 -6.368 -4.649 -5.198 1.00 0.00 C ATOM 902 CD GLU A 106 -5.222 -5.425 -5.816 1.00 0.00 C ATOM 903 OE1 GLU A 106 -4.089 -5.324 -5.299 1.00 0.00 O ATOM 904 OE2 GLU A 106 -5.456 -6.132 -6.819 1.00 0.00 O ATOM 0 H GLU A 106 -8.206 -4.845 -1.717 1.00 0.00 H new ATOM 0 HA GLU A 106 -6.424 -6.500 -3.372 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -6.736 -3.511 -3.423 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -5.114 -4.166 -3.532 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -7.297 -5.201 -5.345 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -6.478 -3.696 -5.716 1.00 0.00 H new ATOM 911 N PHE A 107 -6.303 -6.063 -0.467 1.00 0.00 N ATOM 912 CA PHE A 107 -5.590 -6.145 0.803 1.00 0.00 C ATOM 913 C PHE A 107 -6.127 -7.293 1.652 1.00 0.00 C ATOM 914 O PHE A 107 -7.117 -7.137 2.366 1.00 0.00 O ATOM 915 CB PHE A 107 -5.713 -4.827 1.571 1.00 0.00 C ATOM 916 CG PHE A 107 -5.303 -3.621 0.772 1.00 0.00 C ATOM 917 CD1 PHE A 107 -6.220 -2.968 -0.037 1.00 0.00 C ATOM 918 CD2 PHE A 107 -4.006 -3.139 0.834 1.00 0.00 C ATOM 919 CE1 PHE A 107 -5.847 -1.857 -0.769 1.00 0.00 C ATOM 920 CE2 PHE A 107 -3.628 -2.027 0.102 1.00 0.00 C ATOM 921 CZ PHE A 107 -4.551 -1.387 -0.700 1.00 0.00 C ATOM 0 H PHE A 107 -7.269 -6.389 -0.429 1.00 0.00 H new ATOM 0 HA PHE A 107 -4.538 -6.333 0.589 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -6.746 -4.702 1.897 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -5.099 -4.882 2.470 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -7.235 -3.331 -0.096 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -3.281 -3.637 1.461 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -6.570 -1.356 -1.396 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -2.613 -1.661 0.158 1.00 0.00 H new ATOM 0 HZ PHE A 107 -4.260 -0.519 -1.273 1.00 0.00 H new ATOM 931 N ASP A 108 -5.470 -8.445 1.568 1.00 0.00 N ATOM 932 CA ASP A 108 -5.883 -9.618 2.330 1.00 0.00 C ATOM 933 C ASP A 108 -4.868 -9.950 3.418 1.00 0.00 C ATOM 934 O ASP A 108 -3.792 -9.355 3.480 1.00 0.00 O ATOM 935 CB ASP A 108 -6.061 -10.818 1.399 1.00 0.00 C ATOM 936 CG ASP A 108 -7.262 -11.666 1.770 1.00 0.00 C ATOM 937 OD1 ASP A 108 -8.297 -11.088 2.162 1.00 0.00 O ATOM 938 OD2 ASP A 108 -7.168 -12.906 1.669 1.00 0.00 O ATOM 0 H ASP A 108 -4.649 -8.591 0.980 1.00 0.00 H new ATOM 0 HA ASP A 108 -6.836 -9.391 2.808 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -6.172 -10.465 0.374 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -5.162 -11.434 1.429 1.00 0.00 H new ATOM 943 N GLU A 109 -5.218 -10.904 4.276 1.00 0.00 N ATOM 944 CA GLU A 109 -4.337 -11.315 5.362 1.00 0.00 C ATOM 945 C GLU A 109 -4.042 -10.147 6.296 1.00 0.00 C ATOM 946 O GLU A 109 -4.558 -9.045 6.111 1.00 0.00 O ATOM 947 CB GLU A 109 -3.030 -11.878 4.801 1.00 0.00 C ATOM 948 CG GLU A 109 -3.206 -13.183 4.041 1.00 0.00 C ATOM 949 CD GLU A 109 -2.611 -13.132 2.648 1.00 0.00 C ATOM 950 OE1 GLU A 109 -3.237 -12.522 1.755 1.00 0.00 O ATOM 951 OE2 GLU A 109 -1.518 -13.703 2.447 1.00 0.00 O ATOM 0 H GLU A 109 -6.105 -11.406 4.239 1.00 0.00 H new ATOM 0 HA GLU A 109 -4.844 -12.093 5.933 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -2.581 -11.139 4.138 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -2.331 -12.037 5.622 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -2.738 -13.992 4.602 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -4.268 -13.417 3.970 1.00 0.00 H new ATOM 958 N ALA A 110 -3.207 -10.394 7.300 1.00 0.00 N ATOM 959 CA ALA A 110 -2.843 -9.362 8.264 1.00 0.00 C ATOM 960 C ALA A 110 -1.818 -8.398 7.674 1.00 0.00 C ATOM 961 O ALA A 110 -0.694 -8.291 8.165 1.00 0.00 O ATOM 962 CB ALA A 110 -2.305 -9.997 9.538 1.00 0.00 C ATOM 0 H ALA A 110 -2.770 -11.300 7.467 1.00 0.00 H new ATOM 0 HA ALA A 110 -3.740 -8.792 8.507 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -2.037 -9.215 10.249 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -3.070 -10.639 9.975 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -1.422 -10.592 9.303 1.00 0.00 H new ATOM 968 N LYS A 111 -2.216 -7.696 6.617 1.00 0.00 N ATOM 969 CA LYS A 111 -1.334 -6.739 5.959 1.00 0.00 C ATOM 970 C LYS A 111 -2.049 -5.413 5.726 1.00 0.00 C ATOM 971 O LYS A 111 -3.261 -5.377 5.520 1.00 0.00 O ATOM 972 CB LYS A 111 -0.835 -7.304 4.627 1.00 0.00 C ATOM 973 CG LYS A 111 -0.210 -8.685 4.746 1.00 0.00 C ATOM 974 CD LYS A 111 1.308 -8.608 4.777 1.00 0.00 C ATOM 975 CE LYS A 111 1.941 -9.827 4.126 1.00 0.00 C ATOM 976 NZ LYS A 111 2.085 -10.957 5.085 1.00 0.00 N ATOM 0 H LYS A 111 -3.143 -7.772 6.198 1.00 0.00 H new ATOM 0 HA LYS A 111 -0.480 -6.561 6.612 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -1.669 -7.351 3.927 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -0.102 -6.618 4.203 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -0.569 -9.171 5.653 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -0.527 -9.303 3.906 1.00 0.00 H new ATOM 0 HD2 LYS A 111 1.638 -7.706 4.261 1.00 0.00 H new ATOM 0 HD3 LYS A 111 1.648 -8.528 5.809 1.00 0.00 H new ATOM 0 HE2 LYS A 111 1.331 -10.144 3.280 1.00 0.00 H new ATOM 0 HE3 LYS A 111 2.921 -9.560 3.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 2.520 -11.769 4.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 2.688 -10.663 5.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 1.148 -11.230 5.444 1.00 0.00 H new ATOM 990 N ARG A 112 -1.289 -4.323 5.759 1.00 0.00 N ATOM 991 CA ARG A 112 -1.850 -2.992 5.550 1.00 0.00 C ATOM 992 C ARG A 112 -1.189 -2.305 4.360 1.00 0.00 C ATOM 993 O ARG A 112 -0.948 -1.097 4.384 1.00 0.00 O ATOM 994 CB ARG A 112 -1.675 -2.140 6.808 1.00 0.00 C ATOM 995 CG ARG A 112 -2.183 -2.809 8.075 1.00 0.00 C ATOM 996 CD ARG A 112 -3.701 -2.742 8.175 1.00 0.00 C ATOM 997 NE ARG A 112 -4.140 -1.862 9.258 1.00 0.00 N ATOM 998 CZ ARG A 112 -4.406 -0.566 9.106 1.00 0.00 C ATOM 999 NH1 ARG A 112 -4.284 0.015 7.917 1.00 0.00 N ATOM 1000 NH2 ARG A 112 -4.800 0.153 10.148 1.00 0.00 N ATOM 0 H ARG A 112 -0.283 -4.335 5.928 1.00 0.00 H new ATOM 0 HA ARG A 112 -2.914 -3.101 5.339 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -0.618 -1.903 6.931 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -2.200 -1.194 6.672 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -1.863 -3.851 8.091 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -1.739 -2.326 8.945 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -4.111 -2.386 7.230 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -4.098 -3.744 8.338 1.00 0.00 H new ATOM 0 HE ARG A 112 -4.249 -2.266 10.188 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -3.984 -0.532 7.110 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -4.490 1.008 7.811 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -4.899 -0.287 11.063 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -5.004 1.146 10.035 1.00 0.00 H new ATOM 1014 N SER A 113 -0.899 -3.079 3.320 1.00 0.00 N ATOM 1015 CA SER A 113 -0.265 -2.542 2.123 1.00 0.00 C ATOM 1016 C SER A 113 -0.393 -3.510 0.951 1.00 0.00 C ATOM 1017 O SER A 113 -0.933 -4.607 1.095 1.00 0.00 O ATOM 1018 CB SER A 113 1.211 -2.244 2.394 1.00 0.00 C ATOM 1019 OG SER A 113 1.379 -1.592 3.641 1.00 0.00 O ATOM 0 H SER A 113 -1.093 -4.080 3.282 1.00 0.00 H new ATOM 0 HA SER A 113 -0.776 -1.616 1.859 1.00 0.00 H new ATOM 0 HB2 SER A 113 1.780 -3.174 2.386 1.00 0.00 H new ATOM 0 HB3 SER A 113 1.611 -1.619 1.596 1.00 0.00 H new ATOM 0 HG SER A 113 0.660 -0.938 3.768 1.00 0.00 H new ATOM 1025 N CYS A 114 0.111 -3.095 -0.206 1.00 0.00 N ATOM 1026 CA CYS A 114 0.062 -3.919 -1.408 1.00 0.00 C ATOM 1027 C CYS A 114 0.766 -5.255 -1.182 1.00 0.00 C ATOM 1028 O CYS A 114 1.630 -5.371 -0.314 1.00 0.00 O ATOM 1029 CB CYS A 114 0.710 -3.172 -2.575 1.00 0.00 C ATOM 1030 SG CYS A 114 -0.224 -3.241 -4.120 1.00 0.00 S ATOM 0 H CYS A 114 0.560 -2.189 -0.337 1.00 0.00 H new ATOM 0 HA CYS A 114 -0.982 -4.122 -1.646 1.00 0.00 H new ATOM 0 HB2 CYS A 114 0.843 -2.128 -2.292 1.00 0.00 H new ATOM 0 HB3 CYS A 114 1.704 -3.585 -2.747 1.00 0.00 H new ATOM 1035 N ARG A 115 0.387 -6.260 -1.965 1.00 0.00 N ATOM 1036 CA ARG A 115 0.983 -7.588 -1.845 1.00 0.00 C ATOM 1037 C ARG A 115 1.908 -7.884 -3.022 1.00 0.00 C ATOM 1038 O ARG A 115 2.084 -9.038 -3.410 1.00 0.00 O ATOM 1039 CB ARG A 115 -0.112 -8.654 -1.763 1.00 0.00 C ATOM 1040 CG ARG A 115 -1.017 -8.693 -2.984 1.00 0.00 C ATOM 1041 CD ARG A 115 -2.485 -8.752 -2.592 1.00 0.00 C ATOM 1042 NE ARG A 115 -2.886 -10.093 -2.174 1.00 0.00 N ATOM 1043 CZ ARG A 115 -3.162 -11.081 -3.022 1.00 0.00 C ATOM 1044 NH1 ARG A 115 -3.080 -10.885 -4.332 1.00 0.00 N ATOM 1045 NH2 ARG A 115 -3.519 -12.272 -2.558 1.00 0.00 N ATOM 0 H ARG A 115 -0.328 -6.182 -2.688 1.00 0.00 H new ATOM 0 HA ARG A 115 1.575 -7.609 -0.930 1.00 0.00 H new ATOM 0 HB2 ARG A 115 0.353 -9.631 -1.635 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -0.720 -8.471 -0.877 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -0.839 -7.810 -3.598 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -0.768 -9.561 -3.595 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -2.672 -8.048 -1.781 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -3.099 -8.437 -3.436 1.00 0.00 H new ATOM 0 HE ARG A 115 -2.959 -10.283 -1.175 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -2.804 -9.973 -4.695 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -3.293 -11.647 -4.976 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -3.582 -12.430 -1.552 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -3.731 -13.030 -3.207 1.00 0.00 H new ATOM 1059 N ARG A 116 2.498 -6.835 -3.583 1.00 0.00 N ATOM 1060 CA ARG A 116 3.406 -6.982 -4.714 1.00 0.00 C ATOM 1061 C ARG A 116 4.843 -7.170 -4.237 1.00 0.00 C ATOM 1062 O ARG A 116 5.576 -8.012 -4.754 1.00 0.00 O ATOM 1063 CB ARG A 116 3.317 -5.761 -5.629 1.00 0.00 C ATOM 1064 CG ARG A 116 4.006 -5.953 -6.970 1.00 0.00 C ATOM 1065 CD ARG A 116 4.207 -4.628 -7.687 1.00 0.00 C ATOM 1066 NE ARG A 116 5.267 -4.702 -8.691 1.00 0.00 N ATOM 1067 CZ ARG A 116 5.128 -5.299 -9.871 1.00 0.00 C ATOM 1068 NH1 ARG A 116 3.978 -5.876 -10.202 1.00 0.00 N ATOM 1069 NH2 ARG A 116 6.143 -5.321 -10.726 1.00 0.00 N ATOM 0 H ARG A 116 2.364 -5.873 -3.273 1.00 0.00 H new ATOM 0 HA ARG A 116 3.108 -7.869 -5.273 1.00 0.00 H new ATOM 0 HB2 ARG A 116 2.267 -5.522 -5.800 1.00 0.00 H new ATOM 0 HB3 ARG A 116 3.761 -4.904 -5.122 1.00 0.00 H new ATOM 0 HG2 ARG A 116 4.971 -6.436 -6.819 1.00 0.00 H new ATOM 0 HG3 ARG A 116 3.411 -6.619 -7.594 1.00 0.00 H new ATOM 0 HD2 ARG A 116 3.274 -4.330 -8.166 1.00 0.00 H new ATOM 0 HD3 ARG A 116 4.452 -3.855 -6.958 1.00 0.00 H new ATOM 0 HE ARG A 116 6.165 -4.271 -8.474 1.00 0.00 H new ATOM 0 HH11 ARG A 116 3.194 -5.863 -9.549 1.00 0.00 H new ATOM 0 HH12 ARG A 116 3.879 -6.332 -11.109 1.00 0.00 H new ATOM 0 HH21 ARG A 116 7.029 -4.880 -10.478 1.00 0.00 H new ATOM 0 HH22 ARG A 116 6.037 -5.779 -11.631 1.00 0.00 H new ATOM 1083 N ARG A 117 5.235 -6.378 -3.248 1.00 0.00 N ATOM 1084 CA ARG A 117 6.583 -6.451 -2.694 1.00 0.00 C ATOM 1085 C ARG A 117 6.556 -6.942 -1.251 1.00 0.00 C ATOM 1086 O ARG A 117 7.444 -7.674 -0.817 1.00 0.00 O ATOM 1087 CB ARG A 117 7.259 -5.080 -2.768 1.00 0.00 C ATOM 1088 CG ARG A 117 8.779 -5.150 -2.753 1.00 0.00 C ATOM 1089 CD ARG A 117 9.342 -5.353 -4.150 1.00 0.00 C ATOM 1090 NE ARG A 117 9.776 -6.731 -4.370 1.00 0.00 N ATOM 1091 CZ ARG A 117 10.829 -7.281 -3.771 1.00 0.00 C ATOM 1092 NH1 ARG A 117 11.559 -6.575 -2.914 1.00 0.00 N ATOM 1093 NH2 ARG A 117 11.155 -8.540 -4.027 1.00 0.00 N ATOM 0 H ARG A 117 4.638 -5.676 -2.811 1.00 0.00 H new ATOM 0 HA ARG A 117 7.155 -7.165 -3.287 1.00 0.00 H new ATOM 0 HB2 ARG A 117 6.936 -4.573 -3.677 1.00 0.00 H new ATOM 0 HB3 ARG A 117 6.923 -4.472 -1.928 1.00 0.00 H new ATOM 0 HG2 ARG A 117 9.182 -4.231 -2.327 1.00 0.00 H new ATOM 0 HG3 ARG A 117 9.100 -5.968 -2.108 1.00 0.00 H new ATOM 0 HD2 ARG A 117 8.585 -5.089 -4.888 1.00 0.00 H new ATOM 0 HD3 ARG A 117 10.185 -4.679 -4.303 1.00 0.00 H new ATOM 0 HE ARG A 117 9.240 -7.305 -5.021 1.00 0.00 H new ATOM 0 HH11 ARG A 117 11.313 -5.606 -2.712 1.00 0.00 H new ATOM 0 HH12 ARG A 117 12.365 -7.002 -2.458 1.00 0.00 H new ATOM 0 HH21 ARG A 117 10.599 -9.088 -4.683 1.00 0.00 H new ATOM 0 HH22 ARG A 117 11.962 -8.961 -3.568 1.00 0.00 H new ATOM 1107 N LEU A 118 5.531 -6.532 -0.512 1.00 0.00 N ATOM 1108 CA LEU A 118 5.387 -6.930 0.883 1.00 0.00 C ATOM 1109 C LEU A 118 5.303 -8.449 1.011 1.00 0.00 C ATOM 1110 O LEU A 118 5.870 -9.036 1.931 1.00 0.00 O ATOM 1111 CB LEU A 118 4.141 -6.287 1.496 1.00 0.00 C ATOM 1112 CG LEU A 118 4.287 -5.854 2.956 1.00 0.00 C ATOM 1113 CD1 LEU A 118 5.113 -4.581 3.057 1.00 0.00 C ATOM 1114 CD2 LEU A 118 2.918 -5.655 3.590 1.00 0.00 C ATOM 0 H LEU A 118 4.788 -5.924 -0.856 1.00 0.00 H new ATOM 0 HA LEU A 118 6.268 -6.585 1.424 1.00 0.00 H new ATOM 0 HB2 LEU A 118 3.870 -5.416 0.900 1.00 0.00 H new ATOM 0 HB3 LEU A 118 3.314 -6.993 1.423 1.00 0.00 H new ATOM 0 HG LEU A 118 4.808 -6.643 3.499 1.00 0.00 H new ATOM 0 HD11 LEU A 118 5.205 -4.289 4.103 1.00 0.00 H new ATOM 0 HD12 LEU A 118 6.105 -4.757 2.640 1.00 0.00 H new ATOM 0 HD13 LEU A 118 4.622 -3.783 2.500 1.00 0.00 H new ATOM 0 HD21 LEU A 118 3.039 -5.347 4.629 1.00 0.00 H new ATOM 0 HD22 LEU A 118 2.373 -4.885 3.044 1.00 0.00 H new ATOM 0 HD23 LEU A 118 2.360 -6.590 3.552 1.00 0.00 H new ATOM 1126 N ALA A 119 4.590 -9.076 0.082 1.00 0.00 N ATOM 1127 CA ALA A 119 4.431 -10.525 0.089 1.00 0.00 C ATOM 1128 C ALA A 119 5.771 -11.225 -0.112 1.00 0.00 C ATOM 1129 O ALA A 119 6.302 -11.263 -1.222 1.00 0.00 O ATOM 1130 CB ALA A 119 3.443 -10.953 -0.985 1.00 0.00 C ATOM 0 H ALA A 119 4.113 -8.603 -0.686 1.00 0.00 H new ATOM 0 HA ALA A 119 4.040 -10.818 1.063 1.00 0.00 H new ATOM 0 HB1 ALA A 119 3.334 -12.037 -0.968 1.00 0.00 H new ATOM 0 HB2 ALA A 119 2.475 -10.488 -0.795 1.00 0.00 H new ATOM 0 HB3 ALA A 119 3.810 -10.640 -1.963 1.00 0.00 H new ATOM 1136 N GLY A 120 6.311 -11.779 0.967 1.00 0.00 N ATOM 1137 CA GLY A 120 7.584 -12.472 0.887 1.00 0.00 C ATOM 1138 C GLY A 120 7.435 -13.977 1.004 1.00 0.00 C ATOM 1139 O GLY A 120 6.345 -14.515 0.813 1.00 0.00 O ATOM 0 H GLY A 120 5.890 -11.761 1.896 1.00 0.00 H new ATOM 0 HA2 GLY A 120 8.066 -12.231 -0.060 1.00 0.00 H new ATOM 0 HA3 GLY A 120 8.240 -12.112 1.680 1.00 0.00 H new ATOM 1143 N HIS A 121 8.534 -14.655 1.316 1.00 0.00 N ATOM 1144 CA HIS A 121 8.522 -16.106 1.457 1.00 0.00 C ATOM 1145 C HIS A 121 8.745 -16.513 2.910 1.00 0.00 C ATOM 1146 O HIS A 121 9.882 -16.696 3.347 1.00 0.00 O ATOM 1147 CB HIS A 121 9.596 -16.736 0.567 1.00 0.00 C ATOM 1148 CG HIS A 121 9.085 -17.168 -0.772 1.00 0.00 C ATOM 1149 ND1 HIS A 121 9.612 -16.713 -1.962 1.00 0.00 N ATOM 1150 CD2 HIS A 121 8.088 -18.021 -1.106 1.00 0.00 C ATOM 1151 CE1 HIS A 121 8.961 -17.265 -2.971 1.00 0.00 C ATOM 1152 NE2 HIS A 121 8.033 -18.064 -2.478 1.00 0.00 N ATOM 0 H HIS A 121 9.444 -14.223 1.476 1.00 0.00 H new ATOM 0 HA HIS A 121 7.543 -16.468 1.143 1.00 0.00 H new ATOM 0 HB2 HIS A 121 10.405 -16.019 0.424 1.00 0.00 H new ATOM 0 HB3 HIS A 121 10.022 -17.598 1.080 1.00 0.00 H new ATOM 0 HD2 HIS A 121 7.454 -18.566 -0.422 1.00 0.00 H new ATOM 0 HE1 HIS A 121 9.155 -17.092 -4.019 1.00 0.00 H new ATOM 0 HE2 HIS A 121 7.380 -18.623 -3.027 1.00 0.00 H new ATOM 1160 N ASN A 122 7.653 -16.652 3.655 1.00 0.00 N ATOM 1161 CA ASN A 122 7.730 -17.037 5.059 1.00 0.00 C ATOM 1162 C ASN A 122 6.713 -18.129 5.382 1.00 0.00 C ATOM 1163 O ASN A 122 5.643 -17.853 5.925 1.00 0.00 O ATOM 1164 CB ASN A 122 7.492 -15.821 5.957 1.00 0.00 C ATOM 1165 CG ASN A 122 8.773 -15.071 6.264 1.00 0.00 C ATOM 1166 OD1 ASN A 122 9.291 -15.134 7.380 1.00 0.00 O ATOM 1167 ND2 ASN A 122 9.292 -14.355 5.273 1.00 0.00 N ATOM 0 H ASN A 122 6.705 -16.504 3.310 1.00 0.00 H new ATOM 0 HA ASN A 122 8.729 -17.430 5.247 1.00 0.00 H new ATOM 0 HB2 ASN A 122 6.787 -15.147 5.472 1.00 0.00 H new ATOM 0 HB3 ASN A 122 7.032 -16.146 6.890 1.00 0.00 H new ATOM 0 HD21 ASN A 122 10.153 -13.829 5.421 1.00 0.00 H new ATOM 0 HD22 ASN A 122 8.829 -14.331 4.364 1.00 0.00 H new ATOM 1174 N GLU A 123 7.055 -19.367 5.043 1.00 0.00 N ATOM 1175 CA GLU A 123 6.171 -20.500 5.297 1.00 0.00 C ATOM 1176 C GLU A 123 6.961 -21.804 5.354 1.00 0.00 C ATOM 1177 O GLU A 123 7.836 -22.048 4.522 1.00 0.00 O ATOM 1178 CB GLU A 123 5.092 -20.584 4.214 1.00 0.00 C ATOM 1179 CG GLU A 123 3.706 -20.201 4.706 1.00 0.00 C ATOM 1180 CD GLU A 123 2.626 -20.470 3.677 1.00 0.00 C ATOM 1181 OE1 GLU A 123 2.871 -21.280 2.757 1.00 0.00 O ATOM 1182 OE2 GLU A 123 1.537 -19.872 3.789 1.00 0.00 O ATOM 0 H GLU A 123 7.937 -19.612 4.592 1.00 0.00 H new ATOM 0 HA GLU A 123 5.691 -20.347 6.264 1.00 0.00 H new ATOM 0 HB2 GLU A 123 5.368 -19.931 3.386 1.00 0.00 H new ATOM 0 HB3 GLU A 123 5.061 -21.600 3.821 1.00 0.00 H new ATOM 0 HG2 GLU A 123 3.481 -20.757 5.616 1.00 0.00 H new ATOM 0 HG3 GLU A 123 3.697 -19.143 4.968 1.00 0.00 H new ATOM 1189 N ARG A 124 6.647 -22.637 6.341 1.00 0.00 N ATOM 1190 CA ARG A 124 7.327 -23.916 6.507 1.00 0.00 C ATOM 1191 C ARG A 124 6.714 -24.711 7.656 1.00 0.00 C ATOM 1192 O ARG A 124 6.302 -25.859 7.480 1.00 0.00 O ATOM 1193 CB ARG A 124 8.821 -23.693 6.761 1.00 0.00 C ATOM 1194 CG ARG A 124 9.717 -24.347 5.723 1.00 0.00 C ATOM 1195 CD ARG A 124 10.943 -23.495 5.430 1.00 0.00 C ATOM 1196 NE ARG A 124 11.837 -24.134 4.467 1.00 0.00 N ATOM 1197 CZ ARG A 124 13.089 -23.741 4.246 1.00 0.00 C ATOM 1198 NH1 ARG A 124 13.598 -22.714 4.916 1.00 0.00 N ATOM 1199 NH2 ARG A 124 13.835 -24.376 3.353 1.00 0.00 N ATOM 0 H ARG A 124 5.926 -22.449 7.038 1.00 0.00 H new ATOM 0 HA ARG A 124 7.205 -24.489 5.588 1.00 0.00 H new ATOM 0 HB2 ARG A 124 9.022 -22.622 6.780 1.00 0.00 H new ATOM 0 HB3 ARG A 124 9.076 -24.083 7.747 1.00 0.00 H new ATOM 0 HG2 ARG A 124 10.031 -25.329 6.078 1.00 0.00 H new ATOM 0 HG3 ARG A 124 9.154 -24.506 4.803 1.00 0.00 H new ATOM 0 HD2 ARG A 124 10.627 -22.526 5.044 1.00 0.00 H new ATOM 0 HD3 ARG A 124 11.484 -23.307 6.357 1.00 0.00 H new ATOM 0 HE ARG A 124 11.481 -24.927 3.933 1.00 0.00 H new ATOM 0 HH11 ARG A 124 13.029 -22.222 5.604 1.00 0.00 H new ATOM 0 HH12 ARG A 124 14.558 -22.417 4.742 1.00 0.00 H new ATOM 0 HH21 ARG A 124 13.449 -25.166 2.835 1.00 0.00 H new ATOM 0 HH22 ARG A 124 14.795 -24.075 3.184 1.00 0.00 H new ATOM 1213 N ARG A 125 6.657 -24.094 8.831 1.00 0.00 N ATOM 1214 CA ARG A 125 6.094 -24.742 10.011 1.00 0.00 C ATOM 1215 C ARG A 125 4.836 -24.020 10.479 1.00 0.00 C ATOM 1216 O ARG A 125 4.864 -22.823 10.761 1.00 0.00 O ATOM 1217 CB ARG A 125 7.126 -24.778 11.139 1.00 0.00 C ATOM 1218 CG ARG A 125 7.007 -26.001 12.034 1.00 0.00 C ATOM 1219 CD ARG A 125 8.030 -27.062 11.665 1.00 0.00 C ATOM 1220 NE ARG A 125 8.007 -27.372 10.237 1.00 0.00 N ATOM 1221 CZ ARG A 125 8.530 -28.476 9.709 1.00 0.00 C ATOM 1222 NH1 ARG A 125 9.117 -29.379 10.487 1.00 0.00 N ATOM 1223 NH2 ARG A 125 8.466 -28.679 8.401 1.00 0.00 N ATOM 0 H ARG A 125 6.994 -23.145 8.992 1.00 0.00 H new ATOM 0 HA ARG A 125 5.825 -25.763 9.741 1.00 0.00 H new ATOM 0 HB2 ARG A 125 8.126 -24.751 10.706 1.00 0.00 H new ATOM 0 HB3 ARG A 125 7.018 -23.881 11.748 1.00 0.00 H new ATOM 0 HG2 ARG A 125 7.145 -25.707 13.074 1.00 0.00 H new ATOM 0 HG3 ARG A 125 6.003 -26.418 11.951 1.00 0.00 H new ATOM 0 HD2 ARG A 125 9.026 -26.718 11.945 1.00 0.00 H new ATOM 0 HD3 ARG A 125 7.833 -27.969 12.236 1.00 0.00 H new ATOM 0 HE ARG A 125 7.564 -26.703 9.608 1.00 0.00 H new ATOM 0 HH11 ARG A 125 9.168 -29.228 11.494 1.00 0.00 H new ATOM 0 HH12 ARG A 125 9.516 -30.223 10.077 1.00 0.00 H new ATOM 0 HH21 ARG A 125 8.016 -27.989 7.799 1.00 0.00 H new ATOM 0 HH22 ARG A 125 8.867 -29.525 7.996 1.00 0.00 H new ATOM 1237 N ARG A 126 3.732 -24.758 10.561 1.00 0.00 N ATOM 1238 CA ARG A 126 2.464 -24.187 10.997 1.00 0.00 C ATOM 1239 C ARG A 126 2.337 -24.244 12.516 1.00 0.00 C ATOM 1240 O ARG A 126 3.081 -24.959 13.184 1.00 0.00 O ATOM 1241 CB ARG A 126 1.296 -24.932 10.347 1.00 0.00 C ATOM 1242 CG ARG A 126 0.861 -24.340 9.017 1.00 0.00 C ATOM 1243 CD ARG A 126 -0.216 -25.185 8.357 1.00 0.00 C ATOM 1244 NE ARG A 126 -1.445 -25.219 9.146 1.00 0.00 N ATOM 1245 CZ ARG A 126 -2.445 -26.069 8.922 1.00 0.00 C ATOM 1246 NH1 ARG A 126 -2.366 -26.955 7.938 1.00 0.00 N ATOM 1247 NH2 ARG A 126 -3.527 -26.033 9.687 1.00 0.00 N ATOM 0 H ARG A 126 3.691 -25.751 10.331 1.00 0.00 H new ATOM 0 HA ARG A 126 2.437 -23.142 10.687 1.00 0.00 H new ATOM 0 HB2 ARG A 126 1.579 -25.974 10.196 1.00 0.00 H new ATOM 0 HB3 ARG A 126 0.448 -24.928 11.032 1.00 0.00 H new ATOM 0 HG2 ARG A 126 0.487 -23.328 9.173 1.00 0.00 H new ATOM 0 HG3 ARG A 126 1.722 -24.262 8.353 1.00 0.00 H new ATOM 0 HD2 ARG A 126 -0.432 -24.787 7.366 1.00 0.00 H new ATOM 0 HD3 ARG A 126 0.154 -26.201 8.219 1.00 0.00 H new ATOM 0 HE ARG A 126 -1.543 -24.553 9.913 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -1.535 -26.988 7.347 1.00 0.00 H new ATOM 0 HH12 ARG A 126 -3.136 -27.603 7.772 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -3.593 -25.355 10.446 1.00 0.00 H new ATOM 0 HH22 ARG A 126 -4.294 -26.684 9.517 1.00 0.00 H new ATOM 1261 N LYS A 127 1.389 -23.483 13.054 1.00 0.00 N ATOM 1262 CA LYS A 127 1.166 -23.447 14.495 1.00 0.00 C ATOM 1263 C LYS A 127 -0.291 -23.124 14.814 1.00 0.00 C ATOM 1264 O LYS A 127 -0.915 -23.784 15.644 1.00 0.00 O ATOM 1265 CB LYS A 127 2.084 -22.411 15.147 1.00 0.00 C ATOM 1266 CG LYS A 127 2.662 -22.863 16.480 1.00 0.00 C ATOM 1267 CD LYS A 127 2.047 -22.101 17.644 1.00 0.00 C ATOM 1268 CE LYS A 127 2.848 -20.852 17.975 1.00 0.00 C ATOM 1269 NZ LYS A 127 3.781 -21.075 19.114 1.00 0.00 N ATOM 0 H LYS A 127 0.764 -22.884 12.515 1.00 0.00 H new ATOM 0 HA LYS A 127 1.396 -24.433 14.898 1.00 0.00 H new ATOM 0 HB2 LYS A 127 2.902 -22.182 14.464 1.00 0.00 H new ATOM 0 HB3 LYS A 127 1.526 -21.487 15.297 1.00 0.00 H new ATOM 0 HG2 LYS A 127 2.486 -23.931 16.610 1.00 0.00 H new ATOM 0 HG3 LYS A 127 3.742 -22.715 16.478 1.00 0.00 H new ATOM 0 HD2 LYS A 127 1.022 -21.823 17.398 1.00 0.00 H new ATOM 0 HD3 LYS A 127 2.000 -22.748 18.520 1.00 0.00 H new ATOM 0 HE2 LYS A 127 3.415 -20.541 17.097 1.00 0.00 H new ATOM 0 HE3 LYS A 127 2.166 -20.038 18.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 4.308 -20.200 19.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 3.239 -21.347 19.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 4.449 -21.835 18.872 1.00 0.00 H new ATOM 1283 N SER A 128 -0.827 -22.108 14.145 1.00 0.00 N ATOM 1284 CA SER A 128 -2.211 -21.701 14.357 1.00 0.00 C ATOM 1285 C SER A 128 -3.175 -22.748 13.811 1.00 0.00 C ATOM 1286 O SER A 128 -2.757 -23.746 13.224 1.00 0.00 O ATOM 1287 CB SER A 128 -2.476 -20.350 13.689 1.00 0.00 C ATOM 1288 OG SER A 128 -1.885 -20.294 12.402 1.00 0.00 O ATOM 0 H SER A 128 -0.325 -21.552 13.453 1.00 0.00 H new ATOM 0 HA SER A 128 -2.375 -21.606 15.430 1.00 0.00 H new ATOM 0 HB2 SER A 128 -3.550 -20.186 13.607 1.00 0.00 H new ATOM 0 HB3 SER A 128 -2.078 -19.549 14.311 1.00 0.00 H new ATOM 0 HG SER A 128 -2.070 -19.422 11.995 1.00 0.00 H new ATOM 1294 N SER A 129 -4.469 -22.514 14.008 1.00 0.00 N ATOM 1295 CA SER A 129 -5.492 -23.438 13.533 1.00 0.00 C ATOM 1296 C SER A 129 -5.713 -23.277 12.033 1.00 0.00 C ATOM 1297 O SER A 129 -5.408 -24.178 11.250 1.00 0.00 O ATOM 1298 CB SER A 129 -6.806 -23.207 14.282 1.00 0.00 C ATOM 1299 OG SER A 129 -6.568 -22.776 15.611 1.00 0.00 O ATOM 0 H SER A 129 -4.833 -21.694 14.493 1.00 0.00 H new ATOM 0 HA SER A 129 -5.147 -24.454 13.725 1.00 0.00 H new ATOM 0 HB2 SER A 129 -7.402 -22.461 13.756 1.00 0.00 H new ATOM 0 HB3 SER A 129 -7.388 -24.129 14.294 1.00 0.00 H new ATOM 0 HG SER A 129 -7.424 -22.634 16.067 1.00 0.00 H new ATOM 1305 N GLY A 130 -6.245 -22.125 11.639 1.00 0.00 N ATOM 1306 CA GLY A 130 -6.497 -21.868 10.232 1.00 0.00 C ATOM 1307 C GLY A 130 -7.516 -20.768 10.019 1.00 0.00 C ATOM 1308 O GLY A 130 -8.405 -20.891 9.176 1.00 0.00 O ATOM 0 H GLY A 130 -6.506 -21.365 12.267 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -5.563 -21.593 9.743 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -6.849 -22.783 9.756 1.00 0.00 H new ATOM 1312 N GLU A 131 -7.389 -19.689 10.784 1.00 0.00 N ATOM 1313 CA GLU A 131 -8.307 -18.560 10.675 1.00 0.00 C ATOM 1314 C GLU A 131 -7.584 -17.317 10.168 1.00 0.00 C ATOM 1315 O GLU A 131 -8.273 -16.352 9.774 1.00 0.00 O ATOM 1316 CB GLU A 131 -8.956 -18.271 12.029 1.00 0.00 C ATOM 1317 CG GLU A 131 -10.114 -19.198 12.358 1.00 0.00 C ATOM 1318 CD GLU A 131 -11.384 -18.827 11.619 1.00 0.00 C ATOM 1319 OE1 GLU A 131 -11.303 -18.534 10.408 1.00 0.00 O ATOM 1320 OE2 GLU A 131 -12.461 -18.829 12.251 1.00 0.00 O ATOM 0 H GLU A 131 -6.659 -19.572 11.487 1.00 0.00 H new ATOM 0 HA GLU A 131 -9.084 -18.824 9.957 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -8.201 -18.355 12.810 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -9.312 -17.241 12.040 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -9.838 -20.222 12.107 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -10.302 -19.172 13.431 1.00 0.00 H new TER 1327 GLU A 131 HETATM 1328 ZN ZN A 138 -9.326 14.417 3.139 1.00 0.00 ZN HETATM 1329 ZN ZN A 139 -0.249 -0.812 -4.497 1.00 0.00 ZN