USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 737 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 70 HIS : no HE2:sc= -4.71! C(o=-4.9!,f=-11!) USER MOD Set 1.2: A 106 HIS : no HD1:sc= -0.144 X(o=-4.9,f=-4.7) USER MOD Set 2.1: A 35 HIS : no HD1:sc= -5.42! C(o=-14!,f=-14!) USER MOD Set 2.2: A 52 HIS : no HE2:sc= -8.28! C(o=-14!,f=-16!) USER MOD Set 3.1: A 45 LYS NZ :NH3+ -123:sc= 0.0803 (180deg=-1.17!) USER MOD Set 3.2: A 48 THR OG1 : rot -160:sc= -0.475 USER MOD Set 4.1: A 24 THR OG1 : rot 27:sc= -0.227 USER MOD Set 4.2: A 25 HIS : no HD1:sc= -0.384 K(o=-1.6,f=-3.8) USER MOD Set 4.3: A 83 HIS : no HE2:sc= -1.04 K(o=-1.6,f=-4.5!) USER MOD Set 5.1: A 22 HIS :FLIP no HE2:sc= -1.78 F(o=-3,f=-2.4) USER MOD Set 5.2: A 34 HIS : no HE2:sc= -0.573 K(o=-2.4,f=-3.8) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot -170:sc= -1.45 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -7.48! C(o=-7.5!,f=-9.4!) USER MOD Single : A 21 ASN :FLIP amide:sc= -0.523 F(o=-4.9!,f=-0.52) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot -55:sc=0.000321 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 CYS SG : rot 180:sc= 0.132 USER MOD Single : A 33 CYS SG : rot 180:sc= 0 USER MOD Single : A 38 ASN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 165:sc= -0.031 USER MOD Single : A 46 CYS SG : rot 180:sc= 0 USER MOD Single : A 51 CYS SG : rot -21:sc= -0.496! USER MOD Single : A 54 SER OG : rot -174:sc= -0.327 USER MOD Single : A 55 MET CE :methyl 163:sc= -2.4 (180deg=-3.41!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 HIS : no HE2:sc= -3.75! C(o=-3.7!,f=-4.8!) USER MOD Single : A 69 MET CE :methyl -157:sc= -2.28 (180deg=-4.41!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= -0.302 X(o=-0.3,f=-0.056) USER MOD Single : A 74 THR OG1 : rot 106:sc= 1.26 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot -138:sc= 1.57 USER MOD Single : A 79 CYS SG : rot 180:sc= 0 USER MOD Single : A 82 CYS SG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 163:sc= -0.473 (180deg=-1.29) USER MOD Single : A 94 LYS NZ :NH3+ -128:sc= -0.512 (180deg=-0.706) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= -1.74! USER MOD Single : A 100 CYS SG : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ -155:sc= -0.0189 (180deg=-0.755) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot 45:sc= 0.956 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 49 N ALA A 4 -4.252 -9.439 -8.191 1.00 0.00 N ATOM 50 CA ALA A 4 -4.975 -8.203 -8.433 1.00 0.00 C ATOM 51 C ALA A 4 -5.750 -8.319 -9.747 1.00 0.00 C ATOM 52 O ALA A 4 -5.267 -7.969 -10.822 1.00 0.00 O ATOM 53 CB ALA A 4 -3.994 -7.029 -8.436 1.00 0.00 C ATOM 0 HA ALA A 4 -5.699 -8.020 -7.639 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -4.537 -6.102 -8.618 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -3.492 -6.972 -7.470 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -3.253 -7.176 -9.222 1.00 0.00 H new ATOM 59 N PRO A 5 -6.980 -8.826 -9.635 1.00 0.00 N ATOM 60 CA PRO A 5 -7.886 -9.023 -10.746 1.00 0.00 C ATOM 61 C PRO A 5 -7.793 -7.838 -11.696 1.00 0.00 C ATOM 62 O PRO A 5 -7.288 -6.791 -11.293 1.00 0.00 O ATOM 63 CB PRO A 5 -9.272 -9.108 -10.110 1.00 0.00 C ATOM 64 CG PRO A 5 -8.968 -9.754 -8.767 1.00 0.00 C ATOM 65 CD PRO A 5 -7.578 -9.248 -8.387 1.00 0.00 C ATOM 0 HA PRO A 5 -7.657 -9.916 -11.328 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -9.729 -8.125 -9.995 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -9.958 -9.710 -10.706 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -9.708 -9.473 -8.018 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -8.985 -10.841 -8.840 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -7.639 -8.422 -7.679 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -6.989 -10.032 -7.912 1.00 0.00 H new ATOM 73 N ALA A 6 -8.270 -8.018 -12.919 1.00 0.00 N ATOM 74 CA ALA A 6 -8.228 -6.951 -13.904 1.00 0.00 C ATOM 75 C ALA A 6 -8.929 -5.714 -13.339 1.00 0.00 C ATOM 76 O ALA A 6 -9.946 -5.829 -12.657 1.00 0.00 O ATOM 77 CB ALA A 6 -8.863 -7.435 -15.209 1.00 0.00 C ATOM 0 H ALA A 6 -8.688 -8.888 -13.250 1.00 0.00 H new ATOM 0 HA ALA A 6 -7.197 -6.674 -14.126 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -8.831 -6.634 -15.948 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -8.311 -8.297 -15.584 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.899 -7.719 -15.026 1.00 0.00 H new ATOM 83 N ASP A 7 -8.356 -4.558 -13.642 1.00 0.00 N ATOM 84 CA ASP A 7 -8.912 -3.301 -13.173 1.00 0.00 C ATOM 85 C ASP A 7 -10.440 -3.381 -13.205 1.00 0.00 C ATOM 86 O ASP A 7 -11.011 -4.087 -14.035 1.00 0.00 O ATOM 87 CB ASP A 7 -8.481 -2.139 -14.070 1.00 0.00 C ATOM 88 CG ASP A 7 -7.416 -2.487 -15.112 1.00 0.00 C ATOM 89 OD1 ASP A 7 -6.327 -2.927 -14.684 1.00 0.00 O ATOM 90 OD2 ASP A 7 -7.714 -2.304 -16.312 1.00 0.00 O ATOM 0 H ASP A 7 -7.512 -4.466 -14.207 1.00 0.00 H new ATOM 0 HA ASP A 7 -8.548 -3.129 -12.160 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -9.360 -1.753 -14.586 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -8.102 -1.334 -13.440 1.00 0.00 H new ATOM 95 N GLY A 8 -11.058 -2.647 -12.291 1.00 0.00 N ATOM 96 CA GLY A 8 -12.508 -2.626 -12.204 1.00 0.00 C ATOM 97 C GLY A 8 -12.971 -2.673 -10.746 1.00 0.00 C ATOM 98 O GLY A 8 -13.920 -3.381 -10.415 1.00 0.00 O ATOM 0 H GLY A 8 -10.581 -2.063 -11.605 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -12.891 -1.725 -12.682 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -12.921 -3.476 -12.748 1.00 0.00 H new ATOM 102 N LEU A 9 -12.278 -1.910 -9.914 1.00 0.00 N ATOM 103 CA LEU A 9 -12.605 -1.856 -8.499 1.00 0.00 C ATOM 104 C LEU A 9 -12.856 -0.402 -8.094 1.00 0.00 C ATOM 105 O LEU A 9 -11.988 0.453 -8.264 1.00 0.00 O ATOM 106 CB LEU A 9 -11.519 -2.546 -7.671 1.00 0.00 C ATOM 107 CG LEU A 9 -10.808 -1.672 -6.636 1.00 0.00 C ATOM 108 CD1 LEU A 9 -11.728 -1.362 -5.454 1.00 0.00 C ATOM 109 CD2 LEU A 9 -9.494 -2.315 -6.187 1.00 0.00 C ATOM 0 H LEU A 9 -11.491 -1.324 -10.192 1.00 0.00 H new ATOM 0 HA LEU A 9 -13.524 -2.407 -8.299 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -11.968 -3.394 -7.154 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -10.770 -2.948 -8.353 1.00 0.00 H new ATOM 0 HG LEU A 9 -10.558 -0.721 -7.106 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -11.197 -0.739 -4.734 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -12.612 -0.832 -5.810 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -12.031 -2.293 -4.975 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -9.008 -1.674 -5.451 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -9.699 -3.288 -5.741 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -8.838 -2.441 -7.048 1.00 0.00 H new ATOM 121 N LYS A 10 -14.049 -0.166 -7.566 1.00 0.00 N ATOM 122 CA LYS A 10 -14.425 1.170 -7.135 1.00 0.00 C ATOM 123 C LYS A 10 -14.962 1.107 -5.704 1.00 0.00 C ATOM 124 O LYS A 10 -15.560 0.109 -5.305 1.00 0.00 O ATOM 125 CB LYS A 10 -15.402 1.798 -8.131 1.00 0.00 C ATOM 126 CG LYS A 10 -16.846 1.420 -7.796 1.00 0.00 C ATOM 127 CD LYS A 10 -17.089 -0.073 -8.025 1.00 0.00 C ATOM 128 CE LYS A 10 -18.551 -0.341 -8.389 1.00 0.00 C ATOM 129 NZ LYS A 10 -18.884 -1.768 -8.180 1.00 0.00 N ATOM 0 H LYS A 10 -14.767 -0.877 -7.427 1.00 0.00 H new ATOM 0 HA LYS A 10 -13.554 1.825 -7.121 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -15.294 2.883 -8.117 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -15.161 1.466 -9.141 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -17.060 1.672 -6.757 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -17.531 2.002 -8.413 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -16.440 -0.432 -8.823 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -16.826 -0.630 -7.126 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -19.204 0.284 -7.780 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -18.729 -0.069 -9.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -19.880 -1.933 -8.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -18.273 -2.358 -8.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -18.734 -2.017 -7.181 1.00 0.00 H new ATOM 143 N MET A 11 -14.729 2.185 -4.970 1.00 0.00 N ATOM 144 CA MET A 11 -15.182 2.265 -3.592 1.00 0.00 C ATOM 145 C MET A 11 -16.188 3.403 -3.411 1.00 0.00 C ATOM 146 O MET A 11 -15.834 4.575 -3.529 1.00 0.00 O ATOM 147 CB MET A 11 -13.981 2.494 -2.672 1.00 0.00 C ATOM 148 CG MET A 11 -12.818 1.574 -3.050 1.00 0.00 C ATOM 149 SD MET A 11 -12.117 0.842 -1.580 1.00 0.00 S ATOM 150 CE MET A 11 -11.158 2.220 -0.974 1.00 0.00 C ATOM 0 H MET A 11 -14.232 3.011 -5.304 1.00 0.00 H new ATOM 0 HA MET A 11 -15.673 1.326 -3.336 1.00 0.00 H new ATOM 0 HB2 MET A 11 -13.662 3.534 -2.736 1.00 0.00 H new ATOM 0 HB3 MET A 11 -14.271 2.313 -1.637 1.00 0.00 H new ATOM 0 HG2 MET A 11 -13.166 0.792 -3.725 1.00 0.00 H new ATOM 0 HG3 MET A 11 -12.055 2.140 -3.584 1.00 0.00 H new ATOM 0 HE1 MET A 11 -10.650 1.933 -0.053 1.00 0.00 H new ATOM 0 HE2 MET A 11 -10.419 2.506 -1.722 1.00 0.00 H new ATOM 0 HE3 MET A 11 -11.819 3.064 -0.776 1.00 0.00 H new ATOM 160 N GLU A 12 -17.424 3.017 -3.127 1.00 0.00 N ATOM 161 CA GLU A 12 -18.484 3.990 -2.928 1.00 0.00 C ATOM 162 C GLU A 12 -19.437 3.520 -1.827 1.00 0.00 C ATOM 163 O GLU A 12 -20.646 3.444 -2.039 1.00 0.00 O ATOM 164 CB GLU A 12 -19.240 4.252 -4.232 1.00 0.00 C ATOM 165 CG GLU A 12 -19.928 2.980 -4.732 1.00 0.00 C ATOM 166 CD GLU A 12 -21.265 3.307 -5.401 1.00 0.00 C ATOM 167 OE1 GLU A 12 -21.236 3.597 -6.616 1.00 0.00 O ATOM 168 OE2 GLU A 12 -22.286 3.259 -4.681 1.00 0.00 O ATOM 0 H GLU A 12 -17.714 2.044 -3.030 1.00 0.00 H new ATOM 0 HA GLU A 12 -18.032 4.931 -2.613 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -19.983 5.034 -4.075 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -18.548 4.618 -4.991 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -19.279 2.466 -5.441 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -20.092 2.299 -3.897 1.00 0.00 H new ATOM 175 N ALA A 13 -18.856 3.215 -0.676 1.00 0.00 N ATOM 176 CA ALA A 13 -19.638 2.754 0.458 1.00 0.00 C ATOM 177 C ALA A 13 -20.231 3.961 1.188 1.00 0.00 C ATOM 178 O ALA A 13 -21.194 3.824 1.941 1.00 0.00 O ATOM 179 CB ALA A 13 -18.759 1.895 1.369 1.00 0.00 C ATOM 0 H ALA A 13 -17.853 3.278 -0.505 1.00 0.00 H new ATOM 0 HA ALA A 13 -20.468 2.131 0.124 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -19.346 1.549 2.220 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -18.387 1.036 0.811 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -17.917 2.488 1.726 1.00 0.00 H new ATOM 185 N THR A 14 -19.630 5.116 0.940 1.00 0.00 N ATOM 186 CA THR A 14 -20.086 6.346 1.565 1.00 0.00 C ATOM 187 C THR A 14 -20.820 7.220 0.548 1.00 0.00 C ATOM 188 O THR A 14 -21.308 6.723 -0.466 1.00 0.00 O ATOM 189 CB THR A 14 -18.873 7.034 2.195 1.00 0.00 C ATOM 190 OG1 THR A 14 -18.258 7.718 1.107 1.00 0.00 O ATOM 191 CG2 THR A 14 -17.808 6.036 2.657 1.00 0.00 C ATOM 0 H THR A 14 -18.831 5.226 0.315 1.00 0.00 H new ATOM 0 HA THR A 14 -20.810 6.144 2.355 1.00 0.00 H new ATOM 0 HB THR A 14 -19.198 7.637 3.043 1.00 0.00 H new ATOM 0 HG1 THR A 14 -17.383 8.059 1.388 1.00 0.00 H new ATOM 0 HG21 THR A 14 -16.969 6.576 3.096 1.00 0.00 H new ATOM 0 HG22 THR A 14 -18.237 5.365 3.401 1.00 0.00 H new ATOM 0 HG23 THR A 14 -17.458 5.456 1.803 1.00 0.00 H new ATOM 199 N LYS A 15 -20.875 8.509 0.853 1.00 0.00 N ATOM 200 CA LYS A 15 -21.542 9.457 -0.022 1.00 0.00 C ATOM 201 C LYS A 15 -20.531 10.019 -1.023 1.00 0.00 C ATOM 202 O LYS A 15 -20.724 11.108 -1.562 1.00 0.00 O ATOM 203 CB LYS A 15 -22.257 10.533 0.799 1.00 0.00 C ATOM 204 CG LYS A 15 -23.195 9.902 1.830 1.00 0.00 C ATOM 205 CD LYS A 15 -24.388 10.816 2.118 1.00 0.00 C ATOM 206 CE LYS A 15 -25.555 10.507 1.178 1.00 0.00 C ATOM 207 NZ LYS A 15 -26.643 9.821 1.911 1.00 0.00 N ATOM 0 H LYS A 15 -20.468 8.918 1.694 1.00 0.00 H new ATOM 0 HA LYS A 15 -22.321 8.959 -0.600 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -21.521 11.158 1.306 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -22.826 11.184 0.135 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -23.550 8.939 1.462 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -22.649 9.709 2.753 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -24.706 10.689 3.153 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -24.089 11.858 2.002 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -25.931 11.431 0.739 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -25.211 9.880 0.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -27.427 9.618 1.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -26.285 8.930 2.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -26.982 10.432 2.681 1.00 0.00 H new ATOM 221 N GLN A 16 -19.474 9.251 -1.242 1.00 0.00 N ATOM 222 CA GLN A 16 -18.431 9.658 -2.169 1.00 0.00 C ATOM 223 C GLN A 16 -17.760 8.429 -2.785 1.00 0.00 C ATOM 224 O GLN A 16 -16.947 7.749 -2.164 1.00 0.00 O ATOM 225 CB GLN A 16 -17.403 10.556 -1.478 1.00 0.00 C ATOM 226 CG GLN A 16 -17.723 10.710 0.011 1.00 0.00 C ATOM 227 CD GLN A 16 -18.781 11.791 0.235 1.00 0.00 C ATOM 228 OE1 GLN A 16 -19.090 12.586 -0.638 1.00 0.00 O ATOM 229 NE2 GLN A 16 -19.319 11.777 1.452 1.00 0.00 N ATOM 0 H GLN A 16 -19.317 8.349 -0.793 1.00 0.00 H new ATOM 0 HA GLN A 16 -18.890 10.237 -2.970 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -16.406 10.132 -1.598 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -17.392 11.536 -1.955 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -18.078 9.760 0.410 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -16.815 10.966 0.557 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -19.015 11.084 2.136 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -20.035 12.459 1.701 1.00 0.00 H new ATOM 238 N PRO A 17 -18.124 8.158 -4.041 1.00 0.00 N ATOM 239 CA PRO A 17 -17.614 7.047 -4.816 1.00 0.00 C ATOM 240 C PRO A 17 -16.251 7.409 -5.390 1.00 0.00 C ATOM 241 O PRO A 17 -16.136 8.450 -6.036 1.00 0.00 O ATOM 242 CB PRO A 17 -18.639 6.842 -5.929 1.00 0.00 C ATOM 243 CG PRO A 17 -19.157 8.244 -6.160 1.00 0.00 C ATOM 244 CD PRO A 17 -19.077 8.936 -4.801 1.00 0.00 C ATOM 0 HA PRO A 17 -17.481 6.142 -4.223 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -18.184 6.424 -6.827 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -19.434 6.160 -5.628 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -18.555 8.767 -6.903 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -20.181 8.228 -6.533 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -18.750 9.971 -4.903 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -20.050 8.957 -4.311 1.00 0.00 H new ATOM 252 N VAL A 18 -15.261 6.562 -5.149 1.00 0.00 N ATOM 253 CA VAL A 18 -13.921 6.815 -5.650 1.00 0.00 C ATOM 254 C VAL A 18 -13.362 5.532 -6.269 1.00 0.00 C ATOM 255 O VAL A 18 -13.123 4.552 -5.565 1.00 0.00 O ATOM 256 CB VAL A 18 -13.040 7.371 -4.531 1.00 0.00 C ATOM 257 CG1 VAL A 18 -11.596 7.550 -5.006 1.00 0.00 C ATOM 258 CG2 VAL A 18 -13.605 8.686 -3.990 1.00 0.00 C ATOM 0 H VAL A 18 -15.360 5.700 -4.613 1.00 0.00 H new ATOM 0 HA VAL A 18 -13.943 7.572 -6.434 1.00 0.00 H new ATOM 0 HB VAL A 18 -13.038 6.646 -3.717 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -10.991 7.947 -4.191 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -11.194 6.587 -5.320 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -11.573 8.244 -5.846 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -12.959 9.060 -3.195 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -13.652 9.420 -4.794 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -14.606 8.516 -3.594 1.00 0.00 H new ATOM 268 N VAL A 19 -13.170 5.579 -7.579 1.00 0.00 N ATOM 269 CA VAL A 19 -12.644 4.433 -8.301 1.00 0.00 C ATOM 270 C VAL A 19 -11.118 4.427 -8.197 1.00 0.00 C ATOM 271 O VAL A 19 -10.489 5.485 -8.182 1.00 0.00 O ATOM 272 CB VAL A 19 -13.146 4.449 -9.746 1.00 0.00 C ATOM 273 CG1 VAL A 19 -12.125 5.114 -10.672 1.00 0.00 C ATOM 274 CG2 VAL A 19 -13.483 3.036 -10.226 1.00 0.00 C ATOM 0 H VAL A 19 -13.369 6.394 -8.160 1.00 0.00 H new ATOM 0 HA VAL A 19 -13.003 3.504 -7.858 1.00 0.00 H new ATOM 0 HB VAL A 19 -14.062 5.039 -9.776 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -12.505 5.113 -11.693 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -11.956 6.141 -10.349 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -11.186 4.562 -10.634 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -13.837 3.076 -11.256 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -12.591 2.411 -10.173 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -14.261 2.612 -9.591 1.00 0.00 H new ATOM 284 N PHE A 20 -10.566 3.225 -8.129 1.00 0.00 N ATOM 285 CA PHE A 20 -9.125 3.068 -8.027 1.00 0.00 C ATOM 286 C PHE A 20 -8.651 1.839 -8.805 1.00 0.00 C ATOM 287 O PHE A 20 -9.009 0.711 -8.469 1.00 0.00 O ATOM 288 CB PHE A 20 -8.800 2.875 -6.544 1.00 0.00 C ATOM 289 CG PHE A 20 -7.614 1.944 -6.283 1.00 0.00 C ATOM 290 CD1 PHE A 20 -7.804 0.598 -6.232 1.00 0.00 C ATOM 291 CD2 PHE A 20 -6.370 2.462 -6.103 1.00 0.00 C ATOM 292 CE1 PHE A 20 -6.704 -0.266 -5.989 1.00 0.00 C ATOM 293 CE2 PHE A 20 -5.269 1.598 -5.861 1.00 0.00 C ATOM 294 CZ PHE A 20 -5.459 0.252 -5.809 1.00 0.00 C ATOM 0 H PHE A 20 -11.090 2.350 -8.143 1.00 0.00 H new ATOM 0 HA PHE A 20 -8.625 3.943 -8.443 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -8.590 3.848 -6.099 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -9.680 2.476 -6.039 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -8.792 0.186 -6.376 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -6.219 3.531 -6.144 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -6.856 -1.334 -5.947 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -4.281 2.010 -5.718 1.00 0.00 H new ATOM 0 HZ PHE A 20 -4.622 -0.405 -5.625 1.00 0.00 H new ATOM 304 N ASN A 21 -7.852 2.098 -9.830 1.00 0.00 N ATOM 305 CA ASN A 21 -7.326 1.027 -10.658 1.00 0.00 C ATOM 306 C ASN A 21 -5.968 0.585 -10.110 1.00 0.00 C ATOM 307 O ASN A 21 -5.111 1.412 -9.804 1.00 0.00 O ATOM 308 CB ASN A 21 -7.123 1.495 -12.101 1.00 0.00 C ATOM 309 CG ASN A 21 -8.464 1.787 -12.776 1.00 0.00 C ATOM 310 OD1 ASN A 21 -9.375 2.316 -11.964 1.00 0.00 O flip ATOM 311 ND2 ASN A 21 -8.660 1.547 -13.956 1.00 0.00 N flip ATOM 0 H ASN A 21 -7.556 3.035 -10.106 1.00 0.00 H new ATOM 0 HA ASN A 21 -8.043 0.206 -10.642 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -6.503 2.391 -12.113 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -6.588 0.730 -12.663 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -7.917 1.140 -14.524 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -9.567 1.753 -14.375 1.00 0.00 H new ATOM 318 N HIS A 22 -5.807 -0.734 -9.998 1.00 0.00 N ATOM 319 CA HIS A 22 -4.581 -1.343 -9.495 1.00 0.00 C ATOM 320 C HIS A 22 -3.423 -1.063 -10.470 1.00 0.00 C ATOM 321 O HIS A 22 -2.266 -1.002 -10.055 1.00 0.00 O ATOM 322 CB HIS A 22 -4.838 -2.835 -9.232 1.00 0.00 C ATOM 323 CG HIS A 22 -5.351 -3.204 -7.859 1.00 0.00 C ATOM 324 ND1 HIS A 22 -4.701 -3.340 -6.656 1.00 0.00 N flip ATOM 325 CD2 HIS A 22 -6.638 -3.473 -7.620 1.00 0.00 C flip ATOM 326 CE1 HIS A 22 -5.620 -3.698 -5.676 1.00 0.00 C flip ATOM 327 NE2 HIS A 22 -6.785 -3.765 -6.318 1.00 0.00 N flip ATOM 0 H HIS A 22 -6.527 -1.410 -10.255 1.00 0.00 H new ATOM 0 HA HIS A 22 -4.280 -0.905 -8.543 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -5.556 -3.192 -9.971 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -3.908 -3.376 -9.404 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -3.702 -3.200 -6.506 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -7.430 -3.458 -8.354 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -5.431 -3.881 -4.628 1.00 0.00 H new ATOM 335 N SER A 23 -3.775 -0.901 -11.737 1.00 0.00 N ATOM 336 CA SER A 23 -2.780 -0.629 -12.761 1.00 0.00 C ATOM 337 C SER A 23 -2.124 0.729 -12.506 1.00 0.00 C ATOM 338 O SER A 23 -0.916 0.882 -12.683 1.00 0.00 O ATOM 339 CB SER A 23 -3.405 -0.663 -14.158 1.00 0.00 C ATOM 340 OG SER A 23 -4.400 0.343 -14.322 1.00 0.00 O ATOM 0 H SER A 23 -4.735 -0.953 -12.078 1.00 0.00 H new ATOM 0 HA SER A 23 -2.018 -1.407 -12.714 1.00 0.00 H new ATOM 0 HB2 SER A 23 -2.625 -0.527 -14.907 1.00 0.00 H new ATOM 0 HB3 SER A 23 -3.848 -1.643 -14.333 1.00 0.00 H new ATOM 0 HG SER A 23 -4.773 0.289 -15.227 1.00 0.00 H new ATOM 346 N THR A 24 -2.948 1.681 -12.095 1.00 0.00 N ATOM 347 CA THR A 24 -2.463 3.021 -11.813 1.00 0.00 C ATOM 348 C THR A 24 -1.751 3.057 -10.460 1.00 0.00 C ATOM 349 O THR A 24 -1.227 4.091 -10.050 1.00 0.00 O ATOM 350 CB THR A 24 -3.650 3.982 -11.901 1.00 0.00 C ATOM 351 OG1 THR A 24 -4.669 3.346 -11.135 1.00 0.00 O ATOM 352 CG2 THR A 24 -4.238 4.059 -13.312 1.00 0.00 C ATOM 0 H THR A 24 -3.949 1.551 -11.950 1.00 0.00 H new ATOM 0 HA THR A 24 -1.718 3.334 -12.545 1.00 0.00 H new ATOM 0 HB THR A 24 -3.336 4.976 -11.584 1.00 0.00 H new ATOM 0 HG1 THR A 24 -4.257 2.777 -10.452 1.00 0.00 H new ATOM 0 HG21 THR A 24 -5.077 4.755 -13.319 1.00 0.00 H new ATOM 0 HG22 THR A 24 -3.473 4.406 -14.006 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.583 3.071 -13.617 1.00 0.00 H new ATOM 360 N HIS A 25 -1.753 1.904 -9.791 1.00 0.00 N ATOM 361 CA HIS A 25 -1.123 1.745 -8.485 1.00 0.00 C ATOM 362 C HIS A 25 -0.504 0.340 -8.373 1.00 0.00 C ATOM 363 O HIS A 25 -0.694 -0.342 -7.367 1.00 0.00 O ATOM 364 CB HIS A 25 -2.154 2.070 -7.394 1.00 0.00 C ATOM 365 CG HIS A 25 -2.707 3.476 -7.378 1.00 0.00 C ATOM 366 ND1 HIS A 25 -3.701 3.868 -8.180 1.00 0.00 N ATOM 367 CD2 HIS A 25 -2.367 4.575 -6.624 1.00 0.00 C ATOM 368 CE1 HIS A 25 -3.970 5.160 -7.937 1.00 0.00 C ATOM 369 NE2 HIS A 25 -3.176 5.646 -6.985 1.00 0.00 N ATOM 0 H HIS A 25 -2.193 1.054 -10.142 1.00 0.00 H new ATOM 0 HA HIS A 25 -0.296 2.443 -8.353 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -2.989 1.377 -7.498 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -1.696 1.874 -6.424 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -1.594 4.602 -5.871 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -4.731 5.731 -8.447 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -3.164 6.593 -6.605 1.00 0.00 H new ATOM 377 N LYS A 26 0.220 -0.045 -9.414 1.00 0.00 N ATOM 378 CA LYS A 26 0.862 -1.348 -9.438 1.00 0.00 C ATOM 379 C LYS A 26 2.345 -1.188 -9.100 1.00 0.00 C ATOM 380 O LYS A 26 3.031 -2.170 -8.817 1.00 0.00 O ATOM 381 CB LYS A 26 0.608 -2.045 -10.776 1.00 0.00 C ATOM 382 CG LYS A 26 1.583 -1.549 -11.847 1.00 0.00 C ATOM 383 CD LYS A 26 1.112 -1.950 -13.246 1.00 0.00 C ATOM 384 CE LYS A 26 2.298 -2.318 -14.139 1.00 0.00 C ATOM 385 NZ LYS A 26 2.365 -1.414 -15.309 1.00 0.00 N ATOM 0 H LYS A 26 0.376 0.523 -10.247 1.00 0.00 H new ATOM 0 HA LYS A 26 0.430 -1.999 -8.678 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.714 -3.123 -10.654 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -0.417 -1.859 -11.098 1.00 0.00 H new ATOM 0 HG2 LYS A 26 1.674 -0.464 -11.787 1.00 0.00 H new ATOM 0 HG3 LYS A 26 2.574 -1.962 -11.661 1.00 0.00 H new ATOM 0 HD2 LYS A 26 0.429 -2.797 -13.175 1.00 0.00 H new ATOM 0 HD3 LYS A 26 0.555 -1.128 -13.696 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.224 -2.253 -13.568 1.00 0.00 H new ATOM 0 HE3 LYS A 26 2.202 -3.351 -14.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.176 -1.677 -15.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 1.488 -1.496 -15.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 2.479 -0.433 -14.984 1.00 0.00 H new ATOM 399 N SER A 27 2.797 0.057 -9.139 1.00 0.00 N ATOM 400 CA SER A 27 4.187 0.358 -8.840 1.00 0.00 C ATOM 401 C SER A 27 4.345 0.673 -7.352 1.00 0.00 C ATOM 402 O SER A 27 5.262 1.393 -6.960 1.00 0.00 O ATOM 403 CB SER A 27 4.691 1.529 -9.687 1.00 0.00 C ATOM 404 OG SER A 27 6.105 1.492 -9.861 1.00 0.00 O ATOM 0 H SER A 27 2.225 0.869 -9.373 1.00 0.00 H new ATOM 0 HA SER A 27 4.788 -0.518 -9.085 1.00 0.00 H new ATOM 0 HB2 SER A 27 4.205 1.507 -10.662 1.00 0.00 H new ATOM 0 HB3 SER A 27 4.409 2.468 -9.212 1.00 0.00 H new ATOM 0 HG SER A 27 6.542 1.458 -8.984 1.00 0.00 H new ATOM 410 N VAL A 28 3.438 0.117 -6.562 1.00 0.00 N ATOM 411 CA VAL A 28 3.466 0.329 -5.125 1.00 0.00 C ATOM 412 C VAL A 28 3.266 -1.010 -4.412 1.00 0.00 C ATOM 413 O VAL A 28 2.459 -1.833 -4.844 1.00 0.00 O ATOM 414 CB VAL A 28 2.424 1.378 -4.731 1.00 0.00 C ATOM 415 CG1 VAL A 28 2.200 1.386 -3.217 1.00 0.00 C ATOM 416 CG2 VAL A 28 2.826 2.766 -5.233 1.00 0.00 C ATOM 0 H VAL A 28 2.679 -0.480 -6.890 1.00 0.00 H new ATOM 0 HA VAL A 28 4.435 0.720 -4.815 1.00 0.00 H new ATOM 0 HB VAL A 28 1.481 1.110 -5.208 1.00 0.00 H new ATOM 0 HG11 VAL A 28 1.455 2.140 -2.963 1.00 0.00 H new ATOM 0 HG12 VAL A 28 1.848 0.406 -2.896 1.00 0.00 H new ATOM 0 HG13 VAL A 28 3.138 1.618 -2.712 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.068 3.493 -4.939 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.785 3.046 -4.798 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.911 2.749 -6.320 1.00 0.00 H new ATOM 426 N LYS A 29 4.014 -1.187 -3.333 1.00 0.00 N ATOM 427 CA LYS A 29 3.928 -2.412 -2.556 1.00 0.00 C ATOM 428 C LYS A 29 2.504 -2.575 -2.022 1.00 0.00 C ATOM 429 O LYS A 29 1.903 -1.614 -1.544 1.00 0.00 O ATOM 430 CB LYS A 29 5.000 -2.430 -1.464 1.00 0.00 C ATOM 431 CG LYS A 29 5.515 -3.850 -1.224 1.00 0.00 C ATOM 432 CD LYS A 29 5.943 -4.040 0.232 1.00 0.00 C ATOM 433 CE LYS A 29 6.916 -5.213 0.370 1.00 0.00 C ATOM 434 NZ LYS A 29 6.669 -5.945 1.632 1.00 0.00 N ATOM 0 H LYS A 29 4.682 -0.503 -2.978 1.00 0.00 H new ATOM 0 HA LYS A 29 4.133 -3.277 -3.186 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.828 -1.783 -1.752 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.588 -2.028 -0.539 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.736 -4.570 -1.475 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.359 -4.051 -1.884 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.414 -3.128 0.598 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.065 -4.217 0.853 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.803 -5.889 -0.478 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.942 -4.846 0.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.338 -6.738 1.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.800 -5.301 2.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.696 -6.311 1.636 1.00 0.00 H new ATOM 448 N CYS A 30 2.005 -3.798 -2.122 1.00 0.00 N ATOM 449 CA CYS A 30 0.662 -4.099 -1.655 1.00 0.00 C ATOM 450 C CYS A 30 0.577 -3.736 -0.171 1.00 0.00 C ATOM 451 O CYS A 30 -0.503 -3.443 0.340 1.00 0.00 O ATOM 452 CB CYS A 30 0.290 -5.561 -1.907 1.00 0.00 C ATOM 453 SG CYS A 30 0.982 -6.276 -3.443 1.00 0.00 S ATOM 0 H CYS A 30 2.506 -4.592 -2.520 1.00 0.00 H new ATOM 0 HA CYS A 30 -0.062 -3.507 -2.215 1.00 0.00 H new ATOM 0 HB2 CYS A 30 0.628 -6.158 -1.060 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -0.796 -5.644 -1.942 1.00 0.00 H new ATOM 0 HG CYS A 30 0.605 -7.515 -3.553 1.00 0.00 H new ATOM 458 N GLY A 31 1.731 -3.767 0.480 1.00 0.00 N ATOM 459 CA GLY A 31 1.800 -3.445 1.895 1.00 0.00 C ATOM 460 C GLY A 31 1.626 -1.942 2.125 1.00 0.00 C ATOM 461 O GLY A 31 1.607 -1.483 3.266 1.00 0.00 O ATOM 0 H GLY A 31 2.625 -4.010 0.054 1.00 0.00 H new ATOM 0 HA2 GLY A 31 1.026 -3.991 2.434 1.00 0.00 H new ATOM 0 HA3 GLY A 31 2.759 -3.770 2.299 1.00 0.00 H new ATOM 465 N ASP A 32 1.502 -1.218 1.023 1.00 0.00 N ATOM 466 CA ASP A 32 1.330 0.223 1.090 1.00 0.00 C ATOM 467 C ASP A 32 -0.152 0.546 1.296 1.00 0.00 C ATOM 468 O ASP A 32 -0.492 1.489 2.010 1.00 0.00 O ATOM 469 CB ASP A 32 1.783 0.893 -0.208 1.00 0.00 C ATOM 470 CG ASP A 32 2.194 2.361 -0.070 1.00 0.00 C ATOM 471 OD1 ASP A 32 3.084 2.624 0.768 1.00 0.00 O ATOM 472 OD2 ASP A 32 1.609 3.186 -0.804 1.00 0.00 O ATOM 0 H ASP A 32 1.517 -1.602 0.078 1.00 0.00 H new ATOM 0 HA ASP A 32 1.933 0.596 1.918 1.00 0.00 H new ATOM 0 HB2 ASP A 32 2.625 0.332 -0.614 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.974 0.825 -0.936 1.00 0.00 H new ATOM 477 N CYS A 33 -0.993 -0.254 0.658 1.00 0.00 N ATOM 478 CA CYS A 33 -2.430 -0.065 0.762 1.00 0.00 C ATOM 479 C CYS A 33 -2.987 -1.130 1.709 1.00 0.00 C ATOM 480 O CYS A 33 -3.765 -0.827 2.611 1.00 0.00 O ATOM 481 CB CYS A 33 -3.108 -0.110 -0.609 1.00 0.00 C ATOM 482 SG CYS A 33 -3.335 1.589 -1.250 1.00 0.00 S ATOM 0 H CYS A 33 -0.707 -1.035 0.067 1.00 0.00 H new ATOM 0 HA CYS A 33 -2.640 0.925 1.166 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -2.503 -0.692 -1.304 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -4.073 -0.610 -0.530 1.00 0.00 H new ATOM 0 HG CYS A 33 -3.909 1.540 -2.415 1.00 0.00 H new ATOM 487 N HIS A 34 -2.565 -2.372 1.471 1.00 0.00 N ATOM 488 CA HIS A 34 -2.987 -3.518 2.268 1.00 0.00 C ATOM 489 C HIS A 34 -1.993 -3.745 3.421 1.00 0.00 C ATOM 490 O HIS A 34 -1.158 -4.645 3.358 1.00 0.00 O ATOM 491 CB HIS A 34 -3.167 -4.729 1.341 1.00 0.00 C ATOM 492 CG HIS A 34 -4.104 -4.555 0.168 1.00 0.00 C ATOM 493 ND1 HIS A 34 -5.433 -4.546 0.305 1.00 0.00 N ATOM 494 CD2 HIS A 34 -3.856 -4.382 -1.173 1.00 0.00 C ATOM 495 CE1 HIS A 34 -5.993 -4.374 -0.903 1.00 0.00 C ATOM 496 NE2 HIS A 34 -5.064 -4.267 -1.852 1.00 0.00 N ATOM 0 H HIS A 34 -1.919 -2.609 0.718 1.00 0.00 H new ATOM 0 HA HIS A 34 -3.953 -3.341 2.741 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -2.187 -5.010 0.955 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -3.525 -5.566 1.941 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -5.939 -4.652 1.184 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -2.877 -4.342 -1.628 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -7.057 -4.328 -1.082 1.00 0.00 H new ATOM 504 N HIS A 35 -2.116 -2.910 4.453 1.00 0.00 N ATOM 505 CA HIS A 35 -1.261 -2.978 5.633 1.00 0.00 C ATOM 506 C HIS A 35 -1.562 -4.266 6.421 1.00 0.00 C ATOM 507 O HIS A 35 -2.650 -4.832 6.344 1.00 0.00 O ATOM 508 CB HIS A 35 -1.431 -1.686 6.445 1.00 0.00 C ATOM 509 CG HIS A 35 -2.724 -1.531 7.212 1.00 0.00 C ATOM 510 ND1 HIS A 35 -3.079 -2.358 8.200 1.00 0.00 N ATOM 511 CD2 HIS A 35 -3.740 -0.611 7.101 1.00 0.00 C ATOM 512 CE1 HIS A 35 -4.268 -1.969 8.685 1.00 0.00 C ATOM 513 NE2 HIS A 35 -4.722 -0.895 8.042 1.00 0.00 N ATOM 0 H HIS A 35 -2.813 -2.167 4.492 1.00 0.00 H new ATOM 0 HA HIS A 35 -0.208 -3.039 5.359 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -0.605 -1.618 7.153 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -1.336 -0.841 5.763 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -3.770 0.204 6.393 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -4.789 -2.463 9.492 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -5.595 -0.393 8.204 1.00 0.00 H new ATOM 521 N PRO A 36 -0.564 -4.715 7.186 1.00 0.00 N ATOM 522 CA PRO A 36 -0.636 -5.903 8.007 1.00 0.00 C ATOM 523 C PRO A 36 -1.486 -5.622 9.238 1.00 0.00 C ATOM 524 O PRO A 36 -1.123 -4.747 10.024 1.00 0.00 O ATOM 525 CB PRO A 36 0.811 -6.199 8.397 1.00 0.00 C ATOM 526 CG PRO A 36 1.492 -4.908 8.326 1.00 0.00 C ATOM 527 CD PRO A 36 0.729 -4.074 7.300 1.00 0.00 C ATOM 0 HA PRO A 36 -1.092 -6.748 7.491 1.00 0.00 H new ATOM 0 HB2 PRO A 36 0.871 -6.623 9.400 1.00 0.00 H new ATOM 0 HB3 PRO A 36 1.263 -6.922 7.718 1.00 0.00 H new ATOM 0 HG2 PRO A 36 1.497 -4.417 9.299 1.00 0.00 H new ATOM 0 HG3 PRO A 36 2.533 -5.034 8.028 1.00 0.00 H new ATOM 0 HD2 PRO A 36 0.629 -3.039 7.628 1.00 0.00 H new ATOM 0 HD3 PRO A 36 1.247 -4.056 6.341 1.00 0.00 H new ATOM 535 N VAL A 37 -2.583 -6.351 9.382 1.00 0.00 N ATOM 536 CA VAL A 37 -3.464 -6.161 10.521 1.00 0.00 C ATOM 537 C VAL A 37 -3.463 -7.427 11.380 1.00 0.00 C ATOM 538 O VAL A 37 -3.328 -8.534 10.859 1.00 0.00 O ATOM 539 CB VAL A 37 -4.862 -5.766 10.041 1.00 0.00 C ATOM 540 CG1 VAL A 37 -5.589 -4.930 11.096 1.00 0.00 C ATOM 541 CG2 VAL A 37 -4.794 -5.024 8.705 1.00 0.00 C ATOM 0 H VAL A 37 -2.882 -7.075 8.728 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.106 -5.344 11.147 1.00 0.00 H new ATOM 0 HB VAL A 37 -5.434 -6.681 9.887 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -6.580 -4.663 10.729 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.686 -5.508 12.015 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.020 -4.022 11.297 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -5.801 -4.755 8.387 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.196 -4.120 8.821 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.336 -5.668 7.954 1.00 0.00 H new ATOM 551 N ASN A 38 -3.614 -7.223 12.680 1.00 0.00 N ATOM 552 CA ASN A 38 -3.631 -8.334 13.616 1.00 0.00 C ATOM 553 C ASN A 38 -2.509 -9.312 13.260 1.00 0.00 C ATOM 554 O ASN A 38 -2.609 -10.506 13.540 1.00 0.00 O ATOM 555 CB ASN A 38 -4.958 -9.092 13.546 1.00 0.00 C ATOM 556 CG ASN A 38 -5.964 -8.530 14.552 1.00 0.00 C ATOM 557 OD1 ASN A 38 -5.937 -7.204 14.661 1.00 0.00 O flip ATOM 558 ND2 ASN A 38 -6.716 -9.251 15.187 1.00 0.00 N flip ATOM 0 H ASN A 38 -3.726 -6.304 13.108 1.00 0.00 H new ATOM 0 HA ASN A 38 -3.498 -7.932 14.620 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -5.368 -9.022 12.539 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -4.788 -10.149 13.748 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -6.685 -10.262 15.055 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -7.376 -8.843 15.849 1.00 0.00 H new ATOM 565 N GLY A 39 -1.467 -8.770 12.648 1.00 0.00 N ATOM 566 CA GLY A 39 -0.327 -9.580 12.251 1.00 0.00 C ATOM 567 C GLY A 39 -0.723 -10.592 11.175 1.00 0.00 C ATOM 568 O GLY A 39 -0.556 -11.797 11.359 1.00 0.00 O ATOM 0 H GLY A 39 -1.388 -7.780 12.417 1.00 0.00 H new ATOM 0 HA2 GLY A 39 0.468 -8.936 11.875 1.00 0.00 H new ATOM 0 HA3 GLY A 39 0.071 -10.104 13.120 1.00 0.00 H new ATOM 572 N LYS A 40 -1.239 -10.066 10.074 1.00 0.00 N ATOM 573 CA LYS A 40 -1.659 -10.909 8.967 1.00 0.00 C ATOM 574 C LYS A 40 -2.223 -10.031 7.848 1.00 0.00 C ATOM 575 O LYS A 40 -3.350 -9.547 7.942 1.00 0.00 O ATOM 576 CB LYS A 40 -2.632 -11.986 9.453 1.00 0.00 C ATOM 577 CG LYS A 40 -3.450 -12.551 8.291 1.00 0.00 C ATOM 578 CD LYS A 40 -4.582 -13.446 8.800 1.00 0.00 C ATOM 579 CE LYS A 40 -4.028 -14.724 9.432 1.00 0.00 C ATOM 580 NZ LYS A 40 -5.015 -15.822 9.331 1.00 0.00 N ATOM 0 H LYS A 40 -1.376 -9.066 9.925 1.00 0.00 H new ATOM 0 HA LYS A 40 -0.806 -11.446 8.552 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.078 -12.790 9.937 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.302 -11.564 10.203 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -3.865 -11.733 7.703 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -2.800 -13.122 7.628 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -5.179 -12.903 9.533 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -5.247 -13.702 7.975 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -3.103 -15.012 8.933 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -3.783 -14.543 10.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -4.623 -16.682 9.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -5.888 -15.551 9.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -5.229 -16.006 8.330 1.00 0.00 H new ATOM 594 N GLU A 41 -1.413 -9.853 6.815 1.00 0.00 N ATOM 595 CA GLU A 41 -1.817 -9.042 5.679 1.00 0.00 C ATOM 596 C GLU A 41 -3.314 -9.210 5.412 1.00 0.00 C ATOM 597 O GLU A 41 -3.791 -10.325 5.209 1.00 0.00 O ATOM 598 CB GLU A 41 -0.996 -9.391 4.436 1.00 0.00 C ATOM 599 CG GLU A 41 0.275 -8.542 4.363 1.00 0.00 C ATOM 600 CD GLU A 41 1.287 -9.153 3.391 1.00 0.00 C ATOM 601 OE1 GLU A 41 1.753 -10.274 3.688 1.00 0.00 O ATOM 602 OE2 GLU A 41 1.570 -8.486 2.373 1.00 0.00 O ATOM 0 H GLU A 41 -0.479 -10.256 6.741 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.626 -7.996 5.918 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -0.731 -10.448 4.456 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.597 -9.230 3.541 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.023 -7.531 4.044 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.720 -8.462 5.355 1.00 0.00 H new ATOM 609 N ASP A 42 -4.014 -8.085 5.421 1.00 0.00 N ATOM 610 CA ASP A 42 -5.448 -8.094 5.182 1.00 0.00 C ATOM 611 C ASP A 42 -5.747 -7.354 3.877 1.00 0.00 C ATOM 612 O ASP A 42 -5.195 -6.296 3.584 1.00 0.00 O ATOM 613 CB ASP A 42 -6.198 -7.384 6.311 1.00 0.00 C ATOM 614 CG ASP A 42 -7.686 -7.725 6.412 1.00 0.00 C ATOM 615 OD1 ASP A 42 -8.379 -7.553 5.386 1.00 0.00 O ATOM 616 OD2 ASP A 42 -8.097 -8.149 7.514 1.00 0.00 O ATOM 0 H ASP A 42 -3.615 -7.161 5.590 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.775 -9.132 5.129 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -5.719 -7.632 7.258 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -6.096 -6.307 6.174 1.00 0.00 H new ATOM 621 N TYR A 43 -6.648 -7.945 3.088 1.00 0.00 N ATOM 622 CA TYR A 43 -7.040 -7.372 1.816 1.00 0.00 C ATOM 623 C TYR A 43 -8.543 -7.128 1.801 1.00 0.00 C ATOM 624 O TYR A 43 -9.082 -6.804 0.744 1.00 0.00 O ATOM 625 CB TYR A 43 -6.634 -8.316 0.688 1.00 0.00 C ATOM 626 CG TYR A 43 -5.173 -8.222 0.319 1.00 0.00 C ATOM 627 CD1 TYR A 43 -4.190 -8.425 1.296 1.00 0.00 C ATOM 628 CD2 TYR A 43 -4.801 -7.931 -0.999 1.00 0.00 C ATOM 629 CE1 TYR A 43 -2.835 -8.336 0.954 1.00 0.00 C ATOM 630 CE2 TYR A 43 -3.447 -7.842 -1.340 1.00 0.00 C ATOM 631 CZ TYR A 43 -2.464 -8.045 -0.364 1.00 0.00 C ATOM 632 OH TYR A 43 -1.144 -7.959 -0.697 1.00 0.00 O ATOM 0 H TYR A 43 -7.116 -8.822 3.316 1.00 0.00 H new ATOM 0 HA TYR A 43 -6.536 -6.416 1.672 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -6.861 -9.340 0.983 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -7.238 -8.097 -0.193 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -4.477 -8.650 2.313 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -5.559 -7.775 -1.752 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -2.076 -8.492 1.707 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -3.160 -7.617 -2.356 1.00 0.00 H new ATOM 0 HH TYR A 43 -1.050 -7.991 -1.672 1.00 0.00 H new ATOM 642 N ARG A 44 -9.181 -7.285 2.951 1.00 0.00 N ATOM 643 CA ARG A 44 -10.616 -7.077 3.046 1.00 0.00 C ATOM 644 C ARG A 44 -10.944 -5.587 2.931 1.00 0.00 C ATOM 645 O ARG A 44 -10.059 -4.741 3.051 1.00 0.00 O ATOM 646 CB ARG A 44 -11.164 -7.612 4.370 1.00 0.00 C ATOM 647 CG ARG A 44 -12.510 -8.311 4.164 1.00 0.00 C ATOM 648 CD ARG A 44 -12.325 -9.822 4.008 1.00 0.00 C ATOM 649 NE ARG A 44 -11.748 -10.391 5.246 1.00 0.00 N ATOM 650 CZ ARG A 44 -11.914 -11.672 5.640 1.00 0.00 C ATOM 651 NH1 ARG A 44 -12.644 -12.528 4.894 1.00 0.00 N ATOM 652 NH2 ARG A 44 -11.352 -12.074 6.764 1.00 0.00 N ATOM 0 H ARG A 44 -8.730 -7.554 3.826 1.00 0.00 H new ATOM 0 HA ARG A 44 -11.085 -7.621 2.226 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -10.451 -8.311 4.807 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -11.281 -6.791 5.078 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -13.163 -8.107 5.012 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -13.001 -7.908 3.279 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -13.284 -10.294 3.793 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -11.670 -10.031 3.162 1.00 0.00 H new ATOM 0 HE ARG A 44 -11.190 -9.777 5.839 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -13.075 -12.209 4.026 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -12.765 -13.494 5.198 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -10.802 -11.420 7.321 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -11.468 -13.038 7.076 1.00 0.00 H new ATOM 665 N LYS A 45 -12.219 -5.311 2.700 1.00 0.00 N ATOM 666 CA LYS A 45 -12.676 -3.938 2.567 1.00 0.00 C ATOM 667 C LYS A 45 -11.992 -3.073 3.628 1.00 0.00 C ATOM 668 O LYS A 45 -11.892 -3.471 4.788 1.00 0.00 O ATOM 669 CB LYS A 45 -14.204 -3.874 2.614 1.00 0.00 C ATOM 670 CG LYS A 45 -14.825 -4.983 1.761 1.00 0.00 C ATOM 671 CD LYS A 45 -16.147 -4.524 1.143 1.00 0.00 C ATOM 672 CE LYS A 45 -17.268 -5.519 1.446 1.00 0.00 C ATOM 673 NZ LYS A 45 -17.375 -5.752 2.903 1.00 0.00 N ATOM 0 H LYS A 45 -12.950 -6.015 2.601 1.00 0.00 H new ATOM 0 HA LYS A 45 -12.393 -3.535 1.594 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -14.544 -3.970 3.645 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -14.542 -2.902 2.256 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -14.131 -5.271 0.971 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -14.994 -5.867 2.375 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -16.413 -3.541 1.533 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -16.031 -4.419 0.064 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -18.214 -5.137 1.062 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -17.074 -6.462 0.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -17.268 -6.767 3.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -16.627 -5.223 3.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -18.305 -5.430 3.239 1.00 0.00 H new ATOM 687 N CYS A 46 -11.539 -1.907 3.194 1.00 0.00 N ATOM 688 CA CYS A 46 -10.868 -0.983 4.092 1.00 0.00 C ATOM 689 C CYS A 46 -11.859 -0.564 5.180 1.00 0.00 C ATOM 690 O CYS A 46 -11.460 -0.256 6.302 1.00 0.00 O ATOM 691 CB CYS A 46 -10.301 0.224 3.341 1.00 0.00 C ATOM 692 SG CYS A 46 -9.024 -0.178 2.093 1.00 0.00 S ATOM 0 H CYS A 46 -11.623 -1.580 2.231 1.00 0.00 H new ATOM 0 HA CYS A 46 -10.012 -1.477 4.553 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -11.121 0.744 2.846 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -9.875 0.918 4.066 1.00 0.00 H new ATOM 0 HG CYS A 46 -8.618 0.916 1.519 1.00 0.00 H new ATOM 697 N GLY A 47 -13.131 -0.567 4.809 1.00 0.00 N ATOM 698 CA GLY A 47 -14.182 -0.192 5.740 1.00 0.00 C ATOM 699 C GLY A 47 -15.123 -1.368 6.007 1.00 0.00 C ATOM 700 O GLY A 47 -16.342 -1.220 5.940 1.00 0.00 O ATOM 0 H GLY A 47 -13.457 -0.823 3.877 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -13.739 0.144 6.678 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -14.748 0.647 5.336 1.00 0.00 H new ATOM 704 N THR A 48 -14.521 -2.510 6.305 1.00 0.00 N ATOM 705 CA THR A 48 -15.290 -3.711 6.583 1.00 0.00 C ATOM 706 C THR A 48 -15.518 -3.862 8.089 1.00 0.00 C ATOM 707 O THR A 48 -14.677 -3.460 8.891 1.00 0.00 O ATOM 708 CB THR A 48 -14.554 -4.899 5.959 1.00 0.00 C ATOM 709 OG1 THR A 48 -15.476 -5.414 5.001 1.00 0.00 O ATOM 710 CG2 THR A 48 -14.360 -6.052 6.946 1.00 0.00 C ATOM 0 H THR A 48 -13.509 -2.629 6.360 1.00 0.00 H new ATOM 0 HA THR A 48 -16.284 -3.655 6.139 1.00 0.00 H new ATOM 0 HB THR A 48 -13.583 -4.570 5.589 1.00 0.00 H new ATOM 0 HG1 THR A 48 -15.237 -6.339 4.781 1.00 0.00 H new ATOM 0 HG21 THR A 48 -13.833 -6.869 6.453 1.00 0.00 H new ATOM 0 HG22 THR A 48 -13.776 -5.706 7.799 1.00 0.00 H new ATOM 0 HG23 THR A 48 -15.333 -6.404 7.291 1.00 0.00 H new ATOM 718 N ALA A 49 -16.661 -4.442 8.426 1.00 0.00 N ATOM 719 CA ALA A 49 -17.011 -4.650 9.821 1.00 0.00 C ATOM 720 C ALA A 49 -15.826 -5.288 10.550 1.00 0.00 C ATOM 721 O ALA A 49 -15.321 -6.327 10.129 1.00 0.00 O ATOM 722 CB ALA A 49 -18.277 -5.504 9.908 1.00 0.00 C ATOM 0 H ALA A 49 -17.356 -4.774 7.757 1.00 0.00 H new ATOM 0 HA ALA A 49 -17.225 -3.699 10.309 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -18.539 -5.660 10.954 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -19.096 -4.994 9.401 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -18.099 -6.468 9.431 1.00 0.00 H new ATOM 728 N GLY A 50 -15.418 -4.639 11.630 1.00 0.00 N ATOM 729 CA GLY A 50 -14.302 -5.129 12.421 1.00 0.00 C ATOM 730 C GLY A 50 -13.026 -4.341 12.118 1.00 0.00 C ATOM 731 O GLY A 50 -11.928 -4.774 12.463 1.00 0.00 O ATOM 0 H GLY A 50 -15.840 -3.778 11.976 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -14.540 -5.048 13.482 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -14.139 -6.186 12.211 1.00 0.00 H new ATOM 735 N CYS A 51 -13.214 -3.197 11.476 1.00 0.00 N ATOM 736 CA CYS A 51 -12.092 -2.344 11.123 1.00 0.00 C ATOM 737 C CYS A 51 -12.581 -0.895 11.092 1.00 0.00 C ATOM 738 O CYS A 51 -13.250 -0.435 12.015 1.00 0.00 O ATOM 739 CB CYS A 51 -11.460 -2.763 9.794 1.00 0.00 C ATOM 740 SG CYS A 51 -11.118 -4.560 9.801 1.00 0.00 S ATOM 0 H CYS A 51 -14.127 -2.841 11.191 1.00 0.00 H new ATOM 0 HA CYS A 51 -11.306 -2.444 11.871 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -12.129 -2.515 8.970 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -10.535 -2.209 9.631 1.00 0.00 H new ATOM 0 HG CYS A 51 -11.066 -4.987 11.028 1.00 0.00 H new ATOM 745 N HIS A 52 -12.226 -0.204 10.008 1.00 0.00 N ATOM 746 CA HIS A 52 -12.601 1.191 9.801 1.00 0.00 C ATOM 747 C HIS A 52 -14.104 1.285 9.485 1.00 0.00 C ATOM 748 O HIS A 52 -14.495 1.250 8.319 1.00 0.00 O ATOM 749 CB HIS A 52 -11.689 1.794 8.722 1.00 0.00 C ATOM 750 CG HIS A 52 -10.200 1.629 8.920 1.00 0.00 C ATOM 751 ND1 HIS A 52 -9.498 2.389 9.765 1.00 0.00 N ATOM 752 CD2 HIS A 52 -9.300 0.761 8.349 1.00 0.00 C ATOM 753 CE1 HIS A 52 -8.211 2.010 9.723 1.00 0.00 C ATOM 754 NE2 HIS A 52 -8.034 1.008 8.864 1.00 0.00 N ATOM 0 H HIS A 52 -11.670 -0.598 9.249 1.00 0.00 H new ATOM 0 HA HIS A 52 -12.452 1.783 10.704 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -11.956 1.349 7.764 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -11.906 2.860 8.650 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -9.878 3.135 10.347 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -9.540 0.006 7.615 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -7.423 2.459 10.309 1.00 0.00 H new ATOM 762 N ASP A 53 -14.899 1.402 10.539 1.00 0.00 N ATOM 763 CA ASP A 53 -16.340 1.501 10.383 1.00 0.00 C ATOM 764 C ASP A 53 -16.776 2.947 10.625 1.00 0.00 C ATOM 765 O ASP A 53 -17.914 3.313 10.333 1.00 0.00 O ATOM 766 CB ASP A 53 -17.066 0.612 11.394 1.00 0.00 C ATOM 767 CG ASP A 53 -17.189 1.201 12.801 1.00 0.00 C ATOM 768 OD1 ASP A 53 -16.233 1.008 13.583 1.00 0.00 O ATOM 769 OD2 ASP A 53 -18.237 1.830 13.064 1.00 0.00 O ATOM 0 H ASP A 53 -14.572 1.430 11.505 1.00 0.00 H new ATOM 0 HA ASP A 53 -16.593 1.178 9.373 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -18.066 0.400 11.016 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -16.541 -0.341 11.460 1.00 0.00 H new ATOM 774 N SER A 54 -15.849 3.730 11.157 1.00 0.00 N ATOM 775 CA SER A 54 -16.124 5.128 11.442 1.00 0.00 C ATOM 776 C SER A 54 -16.404 5.883 10.141 1.00 0.00 C ATOM 777 O SER A 54 -15.560 5.919 9.246 1.00 0.00 O ATOM 778 CB SER A 54 -14.958 5.777 12.191 1.00 0.00 C ATOM 779 OG SER A 54 -14.914 7.187 11.992 1.00 0.00 O ATOM 0 H SER A 54 -14.907 3.423 11.398 1.00 0.00 H new ATOM 0 HA SER A 54 -17.005 5.179 12.081 1.00 0.00 H new ATOM 0 HB2 SER A 54 -15.048 5.564 13.256 1.00 0.00 H new ATOM 0 HB3 SER A 54 -14.020 5.334 11.855 1.00 0.00 H new ATOM 0 HG SER A 54 -14.102 7.550 12.403 1.00 0.00 H new ATOM 785 N MET A 55 -17.592 6.465 10.076 1.00 0.00 N ATOM 786 CA MET A 55 -17.993 7.217 8.899 1.00 0.00 C ATOM 787 C MET A 55 -18.806 8.453 9.288 1.00 0.00 C ATOM 788 O MET A 55 -19.978 8.568 8.933 1.00 0.00 O ATOM 789 CB MET A 55 -18.832 6.322 7.984 1.00 0.00 C ATOM 790 CG MET A 55 -18.085 5.031 7.644 1.00 0.00 C ATOM 791 SD MET A 55 -19.195 3.869 6.868 1.00 0.00 S ATOM 792 CE MET A 55 -18.068 3.070 5.738 1.00 0.00 C ATOM 0 H MET A 55 -18.290 6.431 10.819 1.00 0.00 H new ATOM 0 HA MET A 55 -17.094 7.546 8.377 1.00 0.00 H new ATOM 0 HB2 MET A 55 -19.777 6.082 8.471 1.00 0.00 H new ATOM 0 HB3 MET A 55 -19.074 6.859 7.067 1.00 0.00 H new ATOM 0 HG2 MET A 55 -17.250 5.249 6.978 1.00 0.00 H new ATOM 0 HG3 MET A 55 -17.665 4.595 8.550 1.00 0.00 H new ATOM 0 HE1 MET A 55 -18.502 2.131 5.394 1.00 0.00 H new ATOM 0 HE2 MET A 55 -17.888 3.721 4.883 1.00 0.00 H new ATOM 0 HE3 MET A 55 -17.125 2.869 6.246 1.00 0.00 H new ATOM 802 N ASP A 56 -18.150 9.348 10.012 1.00 0.00 N ATOM 803 CA ASP A 56 -18.797 10.572 10.454 1.00 0.00 C ATOM 804 C ASP A 56 -17.826 11.744 10.293 1.00 0.00 C ATOM 805 O ASP A 56 -16.794 11.614 9.635 1.00 0.00 O ATOM 806 CB ASP A 56 -19.192 10.485 11.929 1.00 0.00 C ATOM 807 CG ASP A 56 -20.433 11.293 12.315 1.00 0.00 C ATOM 808 OD1 ASP A 56 -21.019 11.906 11.397 1.00 0.00 O ATOM 809 OD2 ASP A 56 -20.767 11.279 13.519 1.00 0.00 O ATOM 0 H ASP A 56 -17.177 9.250 10.304 1.00 0.00 H new ATOM 0 HA ASP A 56 -19.692 10.717 9.849 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -19.365 9.439 12.182 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -18.352 10.825 12.535 1.00 0.00 H new ATOM 814 N LYS A 57 -18.190 12.861 10.905 1.00 0.00 N ATOM 815 CA LYS A 57 -17.364 14.054 10.838 1.00 0.00 C ATOM 816 C LYS A 57 -16.847 14.391 12.238 1.00 0.00 C ATOM 817 O LYS A 57 -17.443 15.203 12.945 1.00 0.00 O ATOM 818 CB LYS A 57 -18.130 15.200 10.173 1.00 0.00 C ATOM 819 CG LYS A 57 -17.180 16.323 9.752 1.00 0.00 C ATOM 820 CD LYS A 57 -17.936 17.640 9.565 1.00 0.00 C ATOM 821 CE LYS A 57 -16.992 18.755 9.114 1.00 0.00 C ATOM 822 NZ LYS A 57 -17.750 19.994 8.832 1.00 0.00 N ATOM 0 H LYS A 57 -19.046 12.965 11.450 1.00 0.00 H new ATOM 0 HA LYS A 57 -16.491 13.878 10.209 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -18.666 14.826 9.301 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -18.878 15.591 10.863 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -16.404 16.449 10.507 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -16.680 16.052 8.822 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -18.727 17.508 8.827 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -18.418 17.923 10.501 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -16.248 18.945 9.888 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -16.450 18.442 8.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -17.094 20.741 8.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -18.443 19.813 8.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -18.247 20.300 9.693 1.00 0.00 H new ATOM 836 N LYS A 58 -15.744 13.750 12.597 1.00 0.00 N ATOM 837 CA LYS A 58 -15.141 13.972 13.901 1.00 0.00 C ATOM 838 C LYS A 58 -14.154 12.842 14.199 1.00 0.00 C ATOM 839 O LYS A 58 -12.941 13.034 14.118 1.00 0.00 O ATOM 840 CB LYS A 58 -16.222 14.142 14.970 1.00 0.00 C ATOM 841 CG LYS A 58 -16.434 15.620 15.304 1.00 0.00 C ATOM 842 CD LYS A 58 -15.616 16.028 16.531 1.00 0.00 C ATOM 843 CE LYS A 58 -16.486 16.768 17.549 1.00 0.00 C ATOM 844 NZ LYS A 58 -17.286 15.808 18.341 1.00 0.00 N ATOM 0 H LYS A 58 -15.252 13.077 12.008 1.00 0.00 H new ATOM 0 HA LYS A 58 -14.573 14.902 13.905 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -17.158 13.707 14.619 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -15.936 13.599 15.871 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -16.147 16.234 14.451 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -17.492 15.806 15.489 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -15.182 15.142 16.994 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -14.787 16.666 16.224 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -15.856 17.360 18.213 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -17.148 17.464 17.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -17.871 16.326 19.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -17.901 15.261 17.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -16.649 15.161 18.848 1.00 0.00 H new ATOM 858 N ASP A 59 -14.710 11.688 14.539 1.00 0.00 N ATOM 859 CA ASP A 59 -13.893 10.527 14.850 1.00 0.00 C ATOM 860 C ASP A 59 -12.716 10.460 13.875 1.00 0.00 C ATOM 861 O ASP A 59 -12.908 10.248 12.679 1.00 0.00 O ATOM 862 CB ASP A 59 -14.698 9.234 14.709 1.00 0.00 C ATOM 863 CG ASP A 59 -13.866 7.950 14.712 1.00 0.00 C ATOM 864 OD1 ASP A 59 -13.190 7.709 13.688 1.00 0.00 O ATOM 865 OD2 ASP A 59 -13.923 7.239 15.738 1.00 0.00 O ATOM 0 H ASP A 59 -15.716 11.532 14.606 1.00 0.00 H new ATOM 0 HA ASP A 59 -13.545 10.625 15.878 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -15.420 9.183 15.524 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -15.267 9.278 13.781 1.00 0.00 H new ATOM 870 N LYS A 60 -11.524 10.645 14.423 1.00 0.00 N ATOM 871 CA LYS A 60 -10.316 10.609 13.616 1.00 0.00 C ATOM 872 C LYS A 60 -9.500 9.368 13.984 1.00 0.00 C ATOM 873 O LYS A 60 -8.537 9.028 13.298 1.00 0.00 O ATOM 874 CB LYS A 60 -9.539 11.919 13.756 1.00 0.00 C ATOM 875 CG LYS A 60 -10.079 12.982 12.797 1.00 0.00 C ATOM 876 CD LYS A 60 -10.178 14.344 13.487 1.00 0.00 C ATOM 877 CE LYS A 60 -8.792 14.967 13.673 1.00 0.00 C ATOM 878 NZ LYS A 60 -8.682 15.597 15.007 1.00 0.00 N ATOM 0 H LYS A 60 -11.369 10.820 15.416 1.00 0.00 H new ATOM 0 HA LYS A 60 -10.566 10.525 12.558 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -9.610 12.280 14.782 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -8.483 11.743 13.552 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -9.426 13.058 11.927 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -11.062 12.683 12.433 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -10.804 15.011 12.894 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -10.662 14.230 14.457 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -8.025 14.201 13.562 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -8.614 15.711 12.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -7.736 16.015 15.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -9.402 16.342 15.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -8.831 14.878 15.744 1.00 0.00 H new ATOM 892 N SER A 61 -9.915 8.724 15.065 1.00 0.00 N ATOM 893 CA SER A 61 -9.235 7.529 15.532 1.00 0.00 C ATOM 894 C SER A 61 -8.914 6.613 14.349 1.00 0.00 C ATOM 895 O SER A 61 -9.436 6.805 13.252 1.00 0.00 O ATOM 896 CB SER A 61 -10.079 6.783 16.567 1.00 0.00 C ATOM 897 OG SER A 61 -10.193 7.509 17.787 1.00 0.00 O ATOM 0 H SER A 61 -10.715 9.008 15.631 1.00 0.00 H new ATOM 0 HA SER A 61 -8.304 7.831 16.012 1.00 0.00 H new ATOM 0 HB2 SER A 61 -11.073 6.600 16.160 1.00 0.00 H new ATOM 0 HB3 SER A 61 -9.632 5.809 16.765 1.00 0.00 H new ATOM 0 HG SER A 61 -10.741 7.000 18.421 1.00 0.00 H new ATOM 903 N ALA A 62 -8.057 5.637 14.611 1.00 0.00 N ATOM 904 CA ALA A 62 -7.661 4.692 13.582 1.00 0.00 C ATOM 905 C ALA A 62 -8.913 4.106 12.924 1.00 0.00 C ATOM 906 O ALA A 62 -8.859 3.634 11.790 1.00 0.00 O ATOM 907 CB ALA A 62 -6.767 3.613 14.196 1.00 0.00 C ATOM 0 H ALA A 62 -7.626 5.481 15.522 1.00 0.00 H new ATOM 0 HA ALA A 62 -7.083 5.192 12.805 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.470 2.904 13.424 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.878 4.077 14.624 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -7.315 3.088 14.979 1.00 0.00 H new ATOM 913 N LYS A 63 -10.010 4.157 13.665 1.00 0.00 N ATOM 914 CA LYS A 63 -11.273 3.638 13.168 1.00 0.00 C ATOM 915 C LYS A 63 -11.755 4.507 12.006 1.00 0.00 C ATOM 916 O LYS A 63 -12.427 4.020 11.098 1.00 0.00 O ATOM 917 CB LYS A 63 -12.287 3.515 14.307 1.00 0.00 C ATOM 918 CG LYS A 63 -12.156 2.165 15.016 1.00 0.00 C ATOM 919 CD LYS A 63 -12.100 2.346 16.534 1.00 0.00 C ATOM 920 CE LYS A 63 -12.972 1.307 17.242 1.00 0.00 C ATOM 921 NZ LYS A 63 -12.206 0.630 18.312 1.00 0.00 N ATOM 0 H LYS A 63 -10.051 4.550 14.606 1.00 0.00 H new ATOM 0 HA LYS A 63 -11.143 2.629 12.778 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -12.134 4.322 15.023 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -13.297 3.626 13.913 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -13.001 1.529 14.753 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -11.255 1.656 14.673 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -11.069 2.256 16.877 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -12.437 3.349 16.797 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -13.852 1.791 17.667 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -13.329 0.571 16.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -12.813 -0.072 18.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -11.380 0.152 17.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -11.886 1.333 19.008 1.00 0.00 H new ATOM 935 N GLY A 64 -11.394 5.780 12.071 1.00 0.00 N ATOM 936 CA GLY A 64 -11.782 6.723 11.036 1.00 0.00 C ATOM 937 C GLY A 64 -11.581 6.121 9.644 1.00 0.00 C ATOM 938 O GLY A 64 -10.475 5.776 9.234 1.00 0.00 O ATOM 0 H GLY A 64 -10.836 6.181 12.825 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -12.827 7.004 11.168 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -11.193 7.635 11.130 1.00 0.00 H new ATOM 942 N TYR A 65 -12.693 6.001 8.915 1.00 0.00 N ATOM 943 CA TYR A 65 -12.672 5.447 7.576 1.00 0.00 C ATOM 944 C TYR A 65 -12.109 6.473 6.602 1.00 0.00 C ATOM 945 O TYR A 65 -11.396 6.118 5.666 1.00 0.00 O ATOM 946 CB TYR A 65 -14.086 5.039 7.173 1.00 0.00 C ATOM 947 CG TYR A 65 -14.140 4.227 5.901 1.00 0.00 C ATOM 948 CD1 TYR A 65 -13.057 3.418 5.541 1.00 0.00 C ATOM 949 CD2 TYR A 65 -15.274 4.284 5.082 1.00 0.00 C ATOM 950 CE1 TYR A 65 -13.107 2.664 4.362 1.00 0.00 C ATOM 951 CE2 TYR A 65 -15.325 3.531 3.903 1.00 0.00 C ATOM 952 CZ TYR A 65 -14.241 2.721 3.543 1.00 0.00 C ATOM 953 OH TYR A 65 -14.290 1.987 2.395 1.00 0.00 O ATOM 0 H TYR A 65 -13.618 6.284 9.239 1.00 0.00 H new ATOM 0 HA TYR A 65 -12.033 4.564 7.553 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -14.533 4.462 7.982 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -14.693 5.936 7.048 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -12.182 3.375 6.173 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -16.110 4.909 5.360 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -12.271 2.039 4.085 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -16.200 3.575 3.271 1.00 0.00 H new ATOM 0 HH TYR A 65 -15.147 2.140 1.945 1.00 0.00 H new ATOM 963 N TYR A 66 -12.430 7.749 6.826 1.00 0.00 N ATOM 964 CA TYR A 66 -11.956 8.816 5.969 1.00 0.00 C ATOM 965 C TYR A 66 -10.648 9.373 6.512 1.00 0.00 C ATOM 966 O TYR A 66 -10.062 10.246 5.873 1.00 0.00 O ATOM 967 CB TYR A 66 -13.017 9.910 5.888 1.00 0.00 C ATOM 968 CG TYR A 66 -12.441 11.299 5.745 1.00 0.00 C ATOM 969 CD1 TYR A 66 -11.720 11.870 6.800 1.00 0.00 C ATOM 970 CD2 TYR A 66 -12.630 12.016 4.557 1.00 0.00 C ATOM 971 CE1 TYR A 66 -11.186 13.157 6.668 1.00 0.00 C ATOM 972 CE2 TYR A 66 -12.097 13.304 4.425 1.00 0.00 C ATOM 973 CZ TYR A 66 -11.375 13.875 5.480 1.00 0.00 C ATOM 974 OH TYR A 66 -10.856 15.129 5.351 1.00 0.00 O ATOM 0 H TYR A 66 -13.019 8.060 7.599 1.00 0.00 H new ATOM 0 HA TYR A 66 -11.774 8.429 4.967 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -13.672 9.708 5.040 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -13.635 9.872 6.785 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -11.576 11.317 7.716 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -13.187 11.576 3.743 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -10.628 13.596 7.482 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -12.243 13.857 3.509 1.00 0.00 H new ATOM 0 HH TYR A 66 -11.078 15.485 4.465 1.00 0.00 H new ATOM 984 N HIS A 67 -10.220 8.869 7.660 1.00 0.00 N ATOM 985 CA HIS A 67 -8.982 9.331 8.265 1.00 0.00 C ATOM 986 C HIS A 67 -7.838 8.394 7.872 1.00 0.00 C ATOM 987 O HIS A 67 -6.670 8.708 8.092 1.00 0.00 O ATOM 988 CB HIS A 67 -9.138 9.473 9.780 1.00 0.00 C ATOM 989 CG HIS A 67 -7.839 9.370 10.544 1.00 0.00 C ATOM 990 ND1 HIS A 67 -7.027 10.462 10.792 1.00 0.00 N ATOM 991 CD2 HIS A 67 -7.222 8.294 11.111 1.00 0.00 C ATOM 992 CE1 HIS A 67 -5.970 10.051 11.478 1.00 0.00 C ATOM 993 NE2 HIS A 67 -6.093 8.707 11.674 1.00 0.00 N ATOM 0 H HIS A 67 -10.708 8.145 8.187 1.00 0.00 H new ATOM 0 HA HIS A 67 -8.737 10.324 7.889 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -9.601 10.435 9.999 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -9.820 8.702 10.138 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -7.211 11.421 10.497 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -7.589 7.278 11.103 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -5.155 10.671 11.821 1.00 0.00 H new ATOM 1001 N VAL A 68 -8.215 7.260 7.297 1.00 0.00 N ATOM 1002 CA VAL A 68 -7.235 6.275 6.872 1.00 0.00 C ATOM 1003 C VAL A 68 -7.085 6.336 5.351 1.00 0.00 C ATOM 1004 O VAL A 68 -6.524 5.426 4.742 1.00 0.00 O ATOM 1005 CB VAL A 68 -7.635 4.888 7.379 1.00 0.00 C ATOM 1006 CG1 VAL A 68 -7.581 4.826 8.906 1.00 0.00 C ATOM 1007 CG2 VAL A 68 -9.019 4.493 6.862 1.00 0.00 C ATOM 0 H VAL A 68 -9.185 7.002 7.116 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.259 6.495 7.304 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.915 4.168 6.989 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.870 3.829 9.240 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.567 5.042 9.243 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -8.267 5.562 9.325 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -9.279 3.503 7.237 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.757 5.217 7.208 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -9.009 4.477 5.772 1.00 0.00 H new ATOM 1017 N MET A 69 -7.597 7.417 4.780 1.00 0.00 N ATOM 1018 CA MET A 69 -7.528 7.607 3.341 1.00 0.00 C ATOM 1019 C MET A 69 -7.487 9.095 2.987 1.00 0.00 C ATOM 1020 O MET A 69 -8.032 9.516 1.969 1.00 0.00 O ATOM 1021 CB MET A 69 -8.746 6.958 2.680 1.00 0.00 C ATOM 1022 CG MET A 69 -9.789 6.560 3.726 1.00 0.00 C ATOM 1023 SD MET A 69 -10.961 5.416 3.014 1.00 0.00 S ATOM 1024 CE MET A 69 -10.258 3.870 3.563 1.00 0.00 C ATOM 0 H MET A 69 -8.061 8.170 5.288 1.00 0.00 H new ATOM 0 HA MET A 69 -6.614 7.140 2.975 1.00 0.00 H new ATOM 0 HB2 MET A 69 -9.189 7.651 1.965 1.00 0.00 H new ATOM 0 HB3 MET A 69 -8.434 6.077 2.119 1.00 0.00 H new ATOM 0 HG2 MET A 69 -9.298 6.103 4.585 1.00 0.00 H new ATOM 0 HG3 MET A 69 -10.308 7.447 4.090 1.00 0.00 H new ATOM 0 HE1 MET A 69 -10.590 3.066 2.906 1.00 0.00 H new ATOM 0 HE2 MET A 69 -9.170 3.935 3.536 1.00 0.00 H new ATOM 0 HE3 MET A 69 -10.584 3.664 4.582 1.00 0.00 H new ATOM 1034 N HIS A 70 -6.828 9.863 3.855 1.00 0.00 N ATOM 1035 CA HIS A 70 -6.682 11.304 3.685 1.00 0.00 C ATOM 1036 C HIS A 70 -5.472 11.805 4.495 1.00 0.00 C ATOM 1037 O HIS A 70 -4.484 12.255 3.917 1.00 0.00 O ATOM 1038 CB HIS A 70 -8.011 11.984 4.049 1.00 0.00 C ATOM 1039 CG HIS A 70 -9.199 11.669 3.170 1.00 0.00 C ATOM 1040 ND1 HIS A 70 -10.000 10.622 3.391 1.00 0.00 N ATOM 1041 CD2 HIS A 70 -9.695 12.302 2.055 1.00 0.00 C ATOM 1042 CE1 HIS A 70 -10.958 10.604 2.451 1.00 0.00 C ATOM 1043 NE2 HIS A 70 -10.817 11.619 1.601 1.00 0.00 N ATOM 0 H HIS A 70 -6.380 9.500 4.697 1.00 0.00 H new ATOM 0 HA HIS A 70 -6.471 11.564 2.648 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -8.264 11.710 5.073 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -7.856 13.063 4.037 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -9.900 9.947 4.149 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -9.278 13.190 1.603 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -11.741 9.863 2.392 1.00 0.00 H new ATOM 1051 N ASP A 71 -5.592 11.708 5.811 1.00 0.00 N ATOM 1052 CA ASP A 71 -4.523 12.142 6.694 1.00 0.00 C ATOM 1053 C ASP A 71 -3.217 11.460 6.282 1.00 0.00 C ATOM 1054 O ASP A 71 -3.234 10.356 5.740 1.00 0.00 O ATOM 1055 CB ASP A 71 -4.818 11.760 8.146 1.00 0.00 C ATOM 1056 CG ASP A 71 -5.616 12.798 8.938 1.00 0.00 C ATOM 1057 OD1 ASP A 71 -6.298 13.613 8.280 1.00 0.00 O ATOM 1058 OD2 ASP A 71 -5.527 12.752 10.184 1.00 0.00 O ATOM 0 H ASP A 71 -6.413 11.335 6.287 1.00 0.00 H new ATOM 0 HA ASP A 71 -4.441 13.226 6.616 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -5.367 10.818 8.154 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -3.873 11.582 8.658 1.00 0.00 H new ATOM 1063 N LYS A 72 -2.117 12.146 6.554 1.00 0.00 N ATOM 1064 CA LYS A 72 -0.805 11.620 6.218 1.00 0.00 C ATOM 1065 C LYS A 72 -0.057 11.267 7.504 1.00 0.00 C ATOM 1066 O LYS A 72 0.800 10.384 7.507 1.00 0.00 O ATOM 1067 CB LYS A 72 -0.050 12.599 5.316 1.00 0.00 C ATOM 1068 CG LYS A 72 1.322 12.042 4.930 1.00 0.00 C ATOM 1069 CD LYS A 72 2.419 12.611 5.832 1.00 0.00 C ATOM 1070 CE LYS A 72 3.040 13.866 5.214 1.00 0.00 C ATOM 1071 NZ LYS A 72 2.825 15.037 6.093 1.00 0.00 N ATOM 0 H LYS A 72 -2.107 13.062 7.003 1.00 0.00 H new ATOM 0 HA LYS A 72 -0.900 10.700 5.642 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.634 12.794 4.416 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.072 13.552 5.830 1.00 0.00 H new ATOM 0 HG2 LYS A 72 1.311 10.955 5.006 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.538 12.287 3.890 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.003 12.851 6.810 1.00 0.00 H new ATOM 0 HD3 LYS A 72 3.192 11.859 5.990 1.00 0.00 H new ATOM 0 HE2 LYS A 72 4.108 13.712 5.058 1.00 0.00 H new ATOM 0 HE3 LYS A 72 2.599 14.053 4.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 3.252 15.880 5.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 1.805 15.193 6.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 3.267 14.862 7.018 1.00 0.00 H new ATOM 1085 N ASN A 73 -0.407 11.974 8.568 1.00 0.00 N ATOM 1086 CA ASN A 73 0.220 11.747 9.859 1.00 0.00 C ATOM 1087 C ASN A 73 -0.036 10.304 10.298 1.00 0.00 C ATOM 1088 O ASN A 73 0.718 9.752 11.098 1.00 0.00 O ATOM 1089 CB ASN A 73 -0.361 12.676 10.926 1.00 0.00 C ATOM 1090 CG ASN A 73 0.689 13.675 11.415 1.00 0.00 C ATOM 1091 OD1 ASN A 73 0.478 14.876 11.438 1.00 0.00 O ATOM 1092 ND2 ASN A 73 1.830 13.112 11.804 1.00 0.00 N ATOM 0 H ASN A 73 -1.118 12.705 8.563 1.00 0.00 H new ATOM 0 HA ASN A 73 1.287 11.943 9.754 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -1.217 13.213 10.518 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -0.726 12.086 11.767 1.00 0.00 H new ATOM 0 HD21 ASN A 73 2.594 13.693 12.148 1.00 0.00 H new ATOM 0 HD22 ASN A 73 1.940 12.099 11.759 1.00 0.00 H new ATOM 1099 N THR A 74 -1.102 9.734 9.756 1.00 0.00 N ATOM 1100 CA THR A 74 -1.467 8.366 10.082 1.00 0.00 C ATOM 1101 C THR A 74 -0.221 7.480 10.133 1.00 0.00 C ATOM 1102 O THR A 74 0.835 7.858 9.628 1.00 0.00 O ATOM 1103 CB THR A 74 -2.504 7.897 9.059 1.00 0.00 C ATOM 1104 OG1 THR A 74 -1.923 8.224 7.800 1.00 0.00 O ATOM 1105 CG2 THR A 74 -3.788 8.728 9.104 1.00 0.00 C ATOM 0 H THR A 74 -1.725 10.195 9.093 1.00 0.00 H new ATOM 0 HA THR A 74 -1.915 8.301 11.074 1.00 0.00 H new ATOM 0 HB THR A 74 -2.743 6.849 9.239 1.00 0.00 H new ATOM 0 HG1 THR A 74 -1.606 7.406 7.363 1.00 0.00 H new ATOM 0 HG21 THR A 74 -4.490 8.354 8.359 1.00 0.00 H new ATOM 0 HG22 THR A 74 -4.236 8.652 10.095 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.554 9.771 8.891 1.00 0.00 H new ATOM 1113 N LYS A 75 -0.385 6.318 10.748 1.00 0.00 N ATOM 1114 CA LYS A 75 0.713 5.375 10.873 1.00 0.00 C ATOM 1115 C LYS A 75 1.153 4.924 9.478 1.00 0.00 C ATOM 1116 O LYS A 75 2.345 4.758 9.222 1.00 0.00 O ATOM 1117 CB LYS A 75 0.326 4.220 11.799 1.00 0.00 C ATOM 1118 CG LYS A 75 1.537 3.340 12.114 1.00 0.00 C ATOM 1119 CD LYS A 75 2.283 3.854 13.347 1.00 0.00 C ATOM 1120 CE LYS A 75 3.263 4.967 12.970 1.00 0.00 C ATOM 1121 NZ LYS A 75 4.381 5.023 13.938 1.00 0.00 N ATOM 0 H LYS A 75 -1.263 6.008 11.165 1.00 0.00 H new ATOM 0 HA LYS A 75 1.574 5.853 11.341 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -0.091 4.616 12.725 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -0.453 3.619 11.330 1.00 0.00 H new ATOM 0 HG2 LYS A 75 1.211 2.314 12.283 1.00 0.00 H new ATOM 0 HG3 LYS A 75 2.211 3.323 11.258 1.00 0.00 H new ATOM 0 HD2 LYS A 75 1.568 4.227 14.080 1.00 0.00 H new ATOM 0 HD3 LYS A 75 2.823 3.033 13.818 1.00 0.00 H new ATOM 0 HE2 LYS A 75 3.651 4.793 11.967 1.00 0.00 H new ATOM 0 HE3 LYS A 75 2.744 5.925 12.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 5.037 5.784 13.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.007 5.211 14.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 4.886 4.114 13.938 1.00 0.00 H new ATOM 1135 N PHE A 76 0.167 4.738 8.613 1.00 0.00 N ATOM 1136 CA PHE A 76 0.437 4.310 7.251 1.00 0.00 C ATOM 1137 C PHE A 76 0.124 5.426 6.253 1.00 0.00 C ATOM 1138 O PHE A 76 -0.463 6.444 6.618 1.00 0.00 O ATOM 1139 CB PHE A 76 -0.478 3.117 6.968 1.00 0.00 C ATOM 1140 CG PHE A 76 -0.428 2.025 8.038 1.00 0.00 C ATOM 1141 CD1 PHE A 76 0.761 1.456 8.373 1.00 0.00 C ATOM 1142 CD2 PHE A 76 -1.571 1.624 8.655 1.00 0.00 C ATOM 1143 CE1 PHE A 76 0.808 0.443 9.367 1.00 0.00 C ATOM 1144 CE2 PHE A 76 -1.525 0.610 9.648 1.00 0.00 C ATOM 1145 CZ PHE A 76 -0.336 0.041 9.983 1.00 0.00 C ATOM 0 H PHE A 76 -0.820 4.876 8.829 1.00 0.00 H new ATOM 0 HA PHE A 76 1.490 4.050 7.145 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -1.504 3.473 6.875 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -0.204 2.682 6.007 1.00 0.00 H new ATOM 0 HD1 PHE A 76 1.669 1.775 7.883 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -2.515 2.077 8.390 1.00 0.00 H new ATOM 0 HE1 PHE A 76 1.752 -0.008 9.634 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -2.434 0.291 10.137 1.00 0.00 H new ATOM 0 HZ PHE A 76 -0.300 -0.730 10.738 1.00 0.00 H new ATOM 1155 N LYS A 77 0.530 5.198 5.012 1.00 0.00 N ATOM 1156 CA LYS A 77 0.301 6.172 3.959 1.00 0.00 C ATOM 1157 C LYS A 77 -1.195 6.236 3.647 1.00 0.00 C ATOM 1158 O LYS A 77 -1.932 5.291 3.925 1.00 0.00 O ATOM 1159 CB LYS A 77 1.171 5.858 2.740 1.00 0.00 C ATOM 1160 CG LYS A 77 2.599 5.506 3.161 1.00 0.00 C ATOM 1161 CD LYS A 77 3.623 6.281 2.329 1.00 0.00 C ATOM 1162 CE LYS A 77 4.969 6.362 3.051 1.00 0.00 C ATOM 1163 NZ LYS A 77 4.987 7.510 3.985 1.00 0.00 N ATOM 0 H LYS A 77 1.016 4.353 4.713 1.00 0.00 H new ATOM 0 HA LYS A 77 0.601 7.167 4.288 1.00 0.00 H new ATOM 0 HB2 LYS A 77 0.737 5.027 2.183 1.00 0.00 H new ATOM 0 HB3 LYS A 77 1.187 6.717 2.069 1.00 0.00 H new ATOM 0 HG2 LYS A 77 2.737 5.734 4.218 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.764 4.435 3.041 1.00 0.00 H new ATOM 0 HD2 LYS A 77 3.754 5.795 1.362 1.00 0.00 H new ATOM 0 HD3 LYS A 77 3.251 7.286 2.132 1.00 0.00 H new ATOM 0 HE2 LYS A 77 5.151 5.437 3.598 1.00 0.00 H new ATOM 0 HE3 LYS A 77 5.774 6.465 2.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 5.908 7.551 4.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 4.834 8.391 3.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 4.232 7.395 4.691 1.00 0.00 H new ATOM 1177 N SER A 78 -1.600 7.359 3.072 1.00 0.00 N ATOM 1178 CA SER A 78 -2.995 7.559 2.719 1.00 0.00 C ATOM 1179 C SER A 78 -3.129 7.754 1.207 1.00 0.00 C ATOM 1180 O SER A 78 -2.148 7.641 0.474 1.00 0.00 O ATOM 1181 CB SER A 78 -3.586 8.758 3.463 1.00 0.00 C ATOM 1182 OG SER A 78 -2.861 9.957 3.205 1.00 0.00 O ATOM 0 H SER A 78 -0.986 8.140 2.842 1.00 0.00 H new ATOM 0 HA SER A 78 -3.553 6.671 3.016 1.00 0.00 H new ATOM 0 HB2 SER A 78 -4.626 8.892 3.166 1.00 0.00 H new ATOM 0 HB3 SER A 78 -3.584 8.557 4.534 1.00 0.00 H new ATOM 0 HG SER A 78 -2.758 10.463 4.038 1.00 0.00 H new ATOM 1188 N CYS A 79 -4.352 8.044 0.786 1.00 0.00 N ATOM 1189 CA CYS A 79 -4.627 8.256 -0.624 1.00 0.00 C ATOM 1190 C CYS A 79 -4.196 9.678 -0.989 1.00 0.00 C ATOM 1191 O CYS A 79 -3.598 9.899 -2.041 1.00 0.00 O ATOM 1192 CB CYS A 79 -6.098 8.001 -0.959 1.00 0.00 C ATOM 1193 SG CYS A 79 -6.666 6.287 -0.663 1.00 0.00 S ATOM 0 H CYS A 79 -5.163 8.137 1.397 1.00 0.00 H new ATOM 0 HA CYS A 79 -4.059 7.541 -1.219 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -6.714 8.680 -0.369 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -6.266 8.249 -2.007 1.00 0.00 H new ATOM 0 HG CYS A 79 -7.923 6.186 -0.978 1.00 0.00 H new ATOM 1198 N VAL A 80 -4.519 10.606 -0.100 1.00 0.00 N ATOM 1199 CA VAL A 80 -4.173 12.001 -0.315 1.00 0.00 C ATOM 1200 C VAL A 80 -2.712 12.226 0.077 1.00 0.00 C ATOM 1201 O VAL A 80 -2.026 13.055 -0.519 1.00 0.00 O ATOM 1202 CB VAL A 80 -5.143 12.905 0.448 1.00 0.00 C ATOM 1203 CG1 VAL A 80 -4.734 14.374 0.329 1.00 0.00 C ATOM 1204 CG2 VAL A 80 -6.581 12.695 -0.032 1.00 0.00 C ATOM 0 H VAL A 80 -5.017 10.419 0.771 1.00 0.00 H new ATOM 0 HA VAL A 80 -4.270 12.260 -1.369 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.098 12.630 1.502 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -5.441 14.994 0.881 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.734 14.508 0.742 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.735 14.668 -0.721 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -7.250 13.349 0.526 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -6.648 12.929 -1.094 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -6.871 11.657 0.130 1.00 0.00 H new ATOM 1214 N GLY A 81 -2.278 11.474 1.078 1.00 0.00 N ATOM 1215 CA GLY A 81 -0.911 11.580 1.557 1.00 0.00 C ATOM 1216 C GLY A 81 0.087 11.412 0.409 1.00 0.00 C ATOM 1217 O GLY A 81 0.742 12.371 0.006 1.00 0.00 O ATOM 0 H GLY A 81 -2.850 10.788 1.571 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -0.763 12.549 2.033 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -0.728 10.820 2.317 1.00 0.00 H new ATOM 1221 N CYS A 82 0.170 10.185 -0.084 1.00 0.00 N ATOM 1222 CA CYS A 82 1.077 9.878 -1.178 1.00 0.00 C ATOM 1223 C CYS A 82 0.957 10.986 -2.226 1.00 0.00 C ATOM 1224 O CYS A 82 1.959 11.527 -2.689 1.00 0.00 O ATOM 1225 CB CYS A 82 0.798 8.496 -1.773 1.00 0.00 C ATOM 1226 SG CYS A 82 2.282 7.882 -2.651 1.00 0.00 S ATOM 0 H CYS A 82 -0.375 9.392 0.253 1.00 0.00 H new ATOM 0 HA CYS A 82 2.101 9.841 -0.806 1.00 0.00 H new ATOM 0 HB2 CYS A 82 0.519 7.800 -0.982 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -0.045 8.551 -2.461 1.00 0.00 H new ATOM 0 HG CYS A 82 2.036 6.707 -3.151 1.00 0.00 H new ATOM 1231 N HIS A 83 -0.291 11.297 -2.577 1.00 0.00 N ATOM 1232 CA HIS A 83 -0.603 12.327 -3.561 1.00 0.00 C ATOM 1233 C HIS A 83 0.014 13.668 -3.125 1.00 0.00 C ATOM 1234 O HIS A 83 0.479 14.437 -3.965 1.00 0.00 O ATOM 1235 CB HIS A 83 -2.124 12.370 -3.771 1.00 0.00 C ATOM 1236 CG HIS A 83 -2.725 11.272 -4.618 1.00 0.00 C ATOM 1237 ND1 HIS A 83 -3.810 11.460 -5.376 1.00 0.00 N ATOM 1238 CD2 HIS A 83 -2.352 9.962 -4.802 1.00 0.00 C ATOM 1239 CE1 HIS A 83 -4.102 10.312 -6.007 1.00 0.00 C ATOM 1240 NE2 HIS A 83 -3.233 9.354 -5.688 1.00 0.00 N ATOM 0 H HIS A 83 -1.114 10.839 -2.185 1.00 0.00 H new ATOM 0 HA HIS A 83 -0.160 12.099 -4.530 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -2.603 12.345 -2.792 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -2.377 13.328 -4.226 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -4.331 12.333 -5.461 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -1.507 9.481 -4.332 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -4.933 10.182 -6.685 1.00 0.00 H new ATOM 1248 N VAL A 84 -0.002 13.902 -1.821 1.00 0.00 N ATOM 1249 CA VAL A 84 0.549 15.130 -1.274 1.00 0.00 C ATOM 1250 C VAL A 84 2.077 15.056 -1.304 1.00 0.00 C ATOM 1251 O VAL A 84 2.748 16.070 -1.492 1.00 0.00 O ATOM 1252 CB VAL A 84 -0.010 15.375 0.129 1.00 0.00 C ATOM 1253 CG1 VAL A 84 0.607 16.629 0.754 1.00 0.00 C ATOM 1254 CG2 VAL A 84 -1.537 15.470 0.102 1.00 0.00 C ATOM 0 H VAL A 84 -0.388 13.262 -1.127 1.00 0.00 H new ATOM 0 HA VAL A 84 0.253 15.985 -1.881 1.00 0.00 H new ATOM 0 HB VAL A 84 0.261 14.522 0.751 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.193 16.780 1.751 1.00 0.00 H new ATOM 0 HG12 VAL A 84 1.688 16.506 0.825 1.00 0.00 H new ATOM 0 HG13 VAL A 84 0.381 17.495 0.132 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -1.909 15.644 1.112 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.839 16.295 -0.543 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.953 14.538 -0.282 1.00 0.00 H new ATOM 1264 N GLU A 85 2.582 13.846 -1.116 1.00 0.00 N ATOM 1265 CA GLU A 85 4.019 13.626 -1.119 1.00 0.00 C ATOM 1266 C GLU A 85 4.533 13.499 -2.555 1.00 0.00 C ATOM 1267 O GLU A 85 5.729 13.638 -2.804 1.00 0.00 O ATOM 1268 CB GLU A 85 4.386 12.391 -0.294 1.00 0.00 C ATOM 1269 CG GLU A 85 5.060 12.791 1.021 1.00 0.00 C ATOM 1270 CD GLU A 85 6.298 13.652 0.763 1.00 0.00 C ATOM 1271 OE1 GLU A 85 6.585 13.891 -0.430 1.00 0.00 O ATOM 1272 OE2 GLU A 85 6.931 14.050 1.765 1.00 0.00 O ATOM 0 H GLU A 85 2.022 13.008 -0.961 1.00 0.00 H new ATOM 0 HA GLU A 85 4.500 14.488 -0.656 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.488 11.809 -0.085 1.00 0.00 H new ATOM 0 HB3 GLU A 85 5.054 11.750 -0.869 1.00 0.00 H new ATOM 0 HG2 GLU A 85 4.354 13.341 1.643 1.00 0.00 H new ATOM 0 HG3 GLU A 85 5.344 11.896 1.575 1.00 0.00 H new ATOM 1279 N VAL A 86 3.603 13.235 -3.461 1.00 0.00 N ATOM 1280 CA VAL A 86 3.947 13.087 -4.865 1.00 0.00 C ATOM 1281 C VAL A 86 4.265 14.463 -5.455 1.00 0.00 C ATOM 1282 O VAL A 86 5.334 14.664 -6.029 1.00 0.00 O ATOM 1283 CB VAL A 86 2.822 12.363 -5.607 1.00 0.00 C ATOM 1284 CG1 VAL A 86 3.049 12.400 -7.119 1.00 0.00 C ATOM 1285 CG2 VAL A 86 2.674 10.925 -5.109 1.00 0.00 C ATOM 0 H VAL A 86 2.612 13.120 -3.250 1.00 0.00 H new ATOM 0 HA VAL A 86 4.839 12.471 -4.977 1.00 0.00 H new ATOM 0 HB VAL A 86 1.890 12.888 -5.396 1.00 0.00 H new ATOM 0 HG11 VAL A 86 2.235 11.878 -7.622 1.00 0.00 H new ATOM 0 HG12 VAL A 86 3.080 13.436 -7.457 1.00 0.00 H new ATOM 0 HG13 VAL A 86 3.994 11.912 -7.357 1.00 0.00 H new ATOM 0 HG21 VAL A 86 1.868 10.433 -5.653 1.00 0.00 H new ATOM 0 HG22 VAL A 86 3.606 10.385 -5.275 1.00 0.00 H new ATOM 0 HG23 VAL A 86 2.443 10.931 -4.044 1.00 0.00 H new ATOM 1354 N LYS A 93 -1.432 19.333 -10.351 1.00 0.00 N ATOM 1355 CA LYS A 93 -1.557 17.986 -9.822 1.00 0.00 C ATOM 1356 C LYS A 93 -1.985 18.056 -8.354 1.00 0.00 C ATOM 1357 O LYS A 93 -2.614 17.132 -7.842 1.00 0.00 O ATOM 1358 CB LYS A 93 -0.265 17.198 -10.048 1.00 0.00 C ATOM 1359 CG LYS A 93 -0.530 15.934 -10.868 1.00 0.00 C ATOM 1360 CD LYS A 93 -1.008 16.285 -12.279 1.00 0.00 C ATOM 1361 CE LYS A 93 0.146 16.817 -13.132 1.00 0.00 C ATOM 1362 NZ LYS A 93 1.389 16.067 -12.848 1.00 0.00 N ATOM 0 HA LYS A 93 -2.334 17.439 -10.356 1.00 0.00 H new ATOM 0 HB2 LYS A 93 0.462 17.825 -10.564 1.00 0.00 H new ATOM 0 HB3 LYS A 93 0.173 16.927 -9.087 1.00 0.00 H new ATOM 0 HG2 LYS A 93 0.380 15.337 -10.927 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -1.281 15.322 -10.368 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -1.437 15.402 -12.752 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -1.799 17.033 -12.223 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -0.105 16.729 -14.189 1.00 0.00 H new ATOM 0 HE3 LYS A 93 0.299 17.877 -12.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 2.075 16.229 -13.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 1.793 16.393 -11.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 1.175 15.051 -12.785 1.00 0.00 H new ATOM 1376 N LYS A 94 -1.626 19.163 -7.720 1.00 0.00 N ATOM 1377 CA LYS A 94 -1.965 19.366 -6.321 1.00 0.00 C ATOM 1378 C LYS A 94 -3.386 19.925 -6.221 1.00 0.00 C ATOM 1379 O LYS A 94 -3.873 20.200 -5.126 1.00 0.00 O ATOM 1380 CB LYS A 94 -0.911 20.239 -5.636 1.00 0.00 C ATOM 1381 CG LYS A 94 -1.222 21.725 -5.827 1.00 0.00 C ATOM 1382 CD LYS A 94 -1.663 22.366 -4.510 1.00 0.00 C ATOM 1383 CE LYS A 94 -1.846 23.877 -4.669 1.00 0.00 C ATOM 1384 NZ LYS A 94 -2.940 24.169 -5.622 1.00 0.00 N ATOM 0 H LYS A 94 -1.105 19.928 -8.148 1.00 0.00 H new ATOM 0 HA LYS A 94 -1.957 18.417 -5.785 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -0.875 20.005 -4.572 1.00 0.00 H new ATOM 0 HB3 LYS A 94 0.074 20.014 -6.045 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -0.340 22.239 -6.208 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -2.007 21.843 -6.574 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -2.598 21.916 -4.178 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -0.921 22.165 -3.737 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -2.069 24.326 -3.701 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -0.918 24.326 -5.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -2.599 24.829 -6.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -3.251 23.286 -6.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -3.739 24.597 -5.113 1.00 0.00 H new ATOM 1398 N LYS A 95 -4.011 20.076 -7.380 1.00 0.00 N ATOM 1399 CA LYS A 95 -5.366 20.598 -7.436 1.00 0.00 C ATOM 1400 C LYS A 95 -6.284 19.553 -8.074 1.00 0.00 C ATOM 1401 O LYS A 95 -7.455 19.826 -8.333 1.00 0.00 O ATOM 1402 CB LYS A 95 -5.389 21.953 -8.147 1.00 0.00 C ATOM 1403 CG LYS A 95 -5.638 23.089 -7.153 1.00 0.00 C ATOM 1404 CD LYS A 95 -7.134 23.372 -7.006 1.00 0.00 C ATOM 1405 CE LYS A 95 -7.374 24.666 -6.226 1.00 0.00 C ATOM 1406 NZ LYS A 95 -8.817 24.847 -5.952 1.00 0.00 N ATOM 0 H LYS A 95 -3.604 19.846 -8.287 1.00 0.00 H new ATOM 0 HA LYS A 95 -5.745 20.785 -6.431 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -4.441 22.115 -8.660 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -6.168 21.955 -8.909 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -5.217 22.826 -6.182 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -5.125 23.990 -7.489 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -7.592 23.448 -7.992 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -7.616 22.540 -6.494 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -6.820 24.640 -5.287 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -6.997 25.516 -6.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -8.962 25.730 -5.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -9.338 24.893 -6.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -9.167 24.045 -5.390 1.00 0.00 H new ATOM 1420 N ASP A 96 -5.716 18.379 -8.310 1.00 0.00 N ATOM 1421 CA ASP A 96 -6.469 17.292 -8.913 1.00 0.00 C ATOM 1422 C ASP A 96 -6.271 16.020 -8.085 1.00 0.00 C ATOM 1423 O ASP A 96 -7.226 15.289 -7.826 1.00 0.00 O ATOM 1424 CB ASP A 96 -5.985 17.010 -10.336 1.00 0.00 C ATOM 1425 CG ASP A 96 -6.390 18.056 -11.376 1.00 0.00 C ATOM 1426 OD1 ASP A 96 -6.892 19.118 -10.948 1.00 0.00 O ATOM 1427 OD2 ASP A 96 -6.187 17.772 -12.576 1.00 0.00 O ATOM 0 H ASP A 96 -4.744 18.157 -8.095 1.00 0.00 H new ATOM 0 HA ASP A 96 -7.519 17.583 -8.941 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -4.898 16.932 -10.325 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -6.371 16.040 -10.649 1.00 0.00 H new ATOM 1432 N LEU A 97 -5.026 15.795 -7.693 1.00 0.00 N ATOM 1433 CA LEU A 97 -4.691 14.625 -6.901 1.00 0.00 C ATOM 1434 C LEU A 97 -5.170 14.833 -5.463 1.00 0.00 C ATOM 1435 O LEU A 97 -5.627 13.893 -4.814 1.00 0.00 O ATOM 1436 CB LEU A 97 -3.197 14.312 -7.012 1.00 0.00 C ATOM 1437 CG LEU A 97 -2.655 14.124 -8.430 1.00 0.00 C ATOM 1438 CD1 LEU A 97 -1.225 13.580 -8.403 1.00 0.00 C ATOM 1439 CD2 LEU A 97 -3.588 13.243 -9.262 1.00 0.00 C ATOM 0 H LEU A 97 -4.237 16.404 -7.909 1.00 0.00 H new ATOM 0 HA LEU A 97 -5.207 13.745 -7.285 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -2.641 15.119 -6.536 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -2.993 13.405 -6.443 1.00 0.00 H new ATOM 0 HG LEU A 97 -2.619 15.100 -8.914 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.864 13.456 -9.424 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.579 14.280 -7.872 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -1.212 12.616 -7.894 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.179 13.126 -10.265 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.680 12.264 -8.791 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.571 13.710 -9.323 1.00 0.00 H new ATOM 1451 N THR A 98 -5.049 16.071 -5.006 1.00 0.00 N ATOM 1452 CA THR A 98 -5.465 16.415 -3.657 1.00 0.00 C ATOM 1453 C THR A 98 -6.737 17.264 -3.691 1.00 0.00 C ATOM 1454 O THR A 98 -7.260 17.648 -2.646 1.00 0.00 O ATOM 1455 CB THR A 98 -4.290 17.108 -2.963 1.00 0.00 C ATOM 1456 OG1 THR A 98 -4.105 18.308 -3.709 1.00 0.00 O ATOM 1457 CG2 THR A 98 -2.973 16.350 -3.144 1.00 0.00 C ATOM 0 H THR A 98 -4.669 16.848 -5.546 1.00 0.00 H new ATOM 0 HA THR A 98 -5.722 15.525 -3.083 1.00 0.00 H new ATOM 0 HB THR A 98 -4.506 17.211 -1.900 1.00 0.00 H new ATOM 0 HG1 THR A 98 -3.362 18.820 -3.326 1.00 0.00 H new ATOM 0 HG21 THR A 98 -2.172 16.884 -2.632 1.00 0.00 H new ATOM 0 HG22 THR A 98 -3.068 15.349 -2.723 1.00 0.00 H new ATOM 0 HG23 THR A 98 -2.739 16.276 -4.206 1.00 0.00 H new ATOM 1465 N GLY A 99 -7.199 17.533 -4.904 1.00 0.00 N ATOM 1466 CA GLY A 99 -8.400 18.329 -5.087 1.00 0.00 C ATOM 1467 C GLY A 99 -9.585 17.715 -4.339 1.00 0.00 C ATOM 1468 O GLY A 99 -9.628 16.505 -4.123 1.00 0.00 O ATOM 0 H GLY A 99 -6.763 17.214 -5.769 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -8.226 19.344 -4.729 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -8.634 18.401 -6.149 1.00 0.00 H new ATOM 1472 N CYS A 100 -10.517 18.578 -3.962 1.00 0.00 N ATOM 1473 CA CYS A 100 -11.699 18.136 -3.242 1.00 0.00 C ATOM 1474 C CYS A 100 -12.834 17.947 -4.251 1.00 0.00 C ATOM 1475 O CYS A 100 -13.532 16.935 -4.223 1.00 0.00 O ATOM 1476 CB CYS A 100 -12.082 19.114 -2.129 1.00 0.00 C ATOM 1477 SG CYS A 100 -11.000 19.060 -0.655 1.00 0.00 S ATOM 0 H CYS A 100 -10.477 19.581 -4.142 1.00 0.00 H new ATOM 0 HA CYS A 100 -11.493 17.187 -2.747 1.00 0.00 H new ATOM 0 HB2 CYS A 100 -12.071 20.126 -2.534 1.00 0.00 H new ATOM 0 HB3 CYS A 100 -13.106 18.906 -1.819 1.00 0.00 H new ATOM 0 HG CYS A 100 -11.414 19.928 0.220 1.00 0.00 H new ATOM 1482 N LYS A 101 -12.983 18.938 -5.118 1.00 0.00 N ATOM 1483 CA LYS A 101 -14.021 18.894 -6.134 1.00 0.00 C ATOM 1484 C LYS A 101 -13.380 18.644 -7.501 1.00 0.00 C ATOM 1485 O LYS A 101 -12.239 19.037 -7.737 1.00 0.00 O ATOM 1486 CB LYS A 101 -14.878 20.160 -6.079 1.00 0.00 C ATOM 1487 CG LYS A 101 -14.241 21.289 -6.891 1.00 0.00 C ATOM 1488 CD LYS A 101 -12.976 21.810 -6.205 1.00 0.00 C ATOM 1489 CE LYS A 101 -12.725 23.278 -6.558 1.00 0.00 C ATOM 1490 NZ LYS A 101 -13.031 23.527 -7.985 1.00 0.00 N ATOM 0 H LYS A 101 -12.402 19.776 -5.138 1.00 0.00 H new ATOM 0 HA LYS A 101 -14.704 18.066 -5.945 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -15.874 19.946 -6.466 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -15.000 20.476 -5.043 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -13.996 20.930 -7.890 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -14.956 22.103 -7.012 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -13.074 21.704 -5.125 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -12.119 21.208 -6.508 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -13.343 23.920 -5.930 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -11.686 23.535 -6.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -12.487 24.348 -8.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -12.774 22.690 -8.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -14.048 23.718 -8.094 1.00 0.00 H new ATOM 1504 N LYS A 102 -14.142 17.991 -8.366 1.00 0.00 N ATOM 1505 CA LYS A 102 -13.663 17.683 -9.703 1.00 0.00 C ATOM 1506 C LYS A 102 -12.289 17.019 -9.607 1.00 0.00 C ATOM 1507 O LYS A 102 -11.514 17.047 -10.562 1.00 0.00 O ATOM 1508 CB LYS A 102 -13.681 18.937 -10.579 1.00 0.00 C ATOM 1509 CG LYS A 102 -13.720 18.568 -12.064 1.00 0.00 C ATOM 1510 CD LYS A 102 -12.910 19.562 -12.898 1.00 0.00 C ATOM 1511 CE LYS A 102 -11.436 19.157 -12.953 1.00 0.00 C ATOM 1512 NZ LYS A 102 -10.723 19.934 -13.992 1.00 0.00 N ATOM 0 H LYS A 102 -15.088 17.666 -8.167 1.00 0.00 H new ATOM 0 HA LYS A 102 -14.327 16.971 -10.192 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -14.549 19.547 -10.329 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -12.797 19.541 -10.374 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -13.323 17.563 -12.203 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -14.753 18.553 -12.412 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -13.316 19.610 -13.909 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -13.001 20.560 -12.470 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -10.970 19.324 -11.982 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -11.353 18.091 -13.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -9.724 19.647 -14.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -11.157 19.754 -14.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -10.786 20.948 -13.771 1.00 0.00 H new ATOM 1526 N SER A 103 -12.028 16.436 -8.446 1.00 0.00 N ATOM 1527 CA SER A 103 -10.760 15.766 -8.213 1.00 0.00 C ATOM 1528 C SER A 103 -10.764 14.391 -8.886 1.00 0.00 C ATOM 1529 O SER A 103 -11.819 13.882 -9.258 1.00 0.00 O ATOM 1530 CB SER A 103 -10.479 15.623 -6.716 1.00 0.00 C ATOM 1531 OG SER A 103 -9.189 15.072 -6.465 1.00 0.00 O ATOM 0 H SER A 103 -12.673 16.414 -7.656 1.00 0.00 H new ATOM 0 HA SER A 103 -9.967 16.374 -8.647 1.00 0.00 H new ATOM 0 HB2 SER A 103 -10.555 16.600 -6.238 1.00 0.00 H new ATOM 0 HB3 SER A 103 -11.239 14.986 -6.264 1.00 0.00 H new ATOM 0 HG SER A 103 -8.529 15.506 -7.045 1.00 0.00 H new ATOM 1537 N LYS A 104 -9.571 13.831 -9.021 1.00 0.00 N ATOM 1538 CA LYS A 104 -9.423 12.526 -9.642 1.00 0.00 C ATOM 1539 C LYS A 104 -10.166 11.481 -8.806 1.00 0.00 C ATOM 1540 O LYS A 104 -10.519 10.416 -9.309 1.00 0.00 O ATOM 1541 CB LYS A 104 -7.944 12.200 -9.859 1.00 0.00 C ATOM 1542 CG LYS A 104 -7.641 11.995 -11.345 1.00 0.00 C ATOM 1543 CD LYS A 104 -8.299 13.083 -12.194 1.00 0.00 C ATOM 1544 CE LYS A 104 -9.486 12.522 -12.981 1.00 0.00 C ATOM 1545 NZ LYS A 104 -9.281 12.714 -14.434 1.00 0.00 N ATOM 0 H LYS A 104 -8.698 14.257 -8.711 1.00 0.00 H new ATOM 0 HA LYS A 104 -9.875 12.523 -10.634 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -7.328 13.009 -9.467 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -7.681 11.300 -9.303 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -6.563 12.006 -11.505 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -8.000 11.015 -11.661 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -8.636 13.897 -11.552 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -7.567 13.504 -12.884 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -9.607 11.461 -12.762 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -10.405 13.019 -12.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -10.095 12.328 -14.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -9.188 13.729 -14.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -8.415 12.220 -14.731 1.00 0.00 H new ATOM 1559 N CYS A 105 -10.382 11.823 -7.544 1.00 0.00 N ATOM 1560 CA CYS A 105 -11.076 10.929 -6.634 1.00 0.00 C ATOM 1561 C CYS A 105 -12.536 11.379 -6.539 1.00 0.00 C ATOM 1562 O CYS A 105 -13.451 10.617 -6.842 1.00 0.00 O ATOM 1563 CB CYS A 105 -10.403 10.883 -5.262 1.00 0.00 C ATOM 1564 SG CYS A 105 -8.603 10.614 -5.457 1.00 0.00 S ATOM 0 H CYS A 105 -10.088 12.708 -7.131 1.00 0.00 H new ATOM 0 HA CYS A 105 -11.035 9.910 -7.020 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -10.584 11.816 -4.728 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -10.836 10.083 -4.662 1.00 0.00 H new ATOM 0 HG CYS A 105 -8.040 10.579 -4.286 1.00 0.00 H new ATOM 1569 N HIS A 106 -12.713 12.629 -6.112 1.00 0.00 N ATOM 1570 CA HIS A 106 -14.031 13.233 -5.957 1.00 0.00 C ATOM 1571 C HIS A 106 -14.400 14.013 -7.232 1.00 0.00 C ATOM 1572 O HIS A 106 -14.661 15.213 -7.170 1.00 0.00 O ATOM 1573 CB HIS A 106 -14.043 14.078 -4.674 1.00 0.00 C ATOM 1574 CG HIS A 106 -13.839 13.340 -3.372 1.00 0.00 C ATOM 1575 ND1 HIS A 106 -14.759 12.517 -2.859 1.00 0.00 N ATOM 1576 CD2 HIS A 106 -12.782 13.328 -2.492 1.00 0.00 C ATOM 1577 CE1 HIS A 106 -14.294 12.013 -1.704 1.00 0.00 C ATOM 1578 NE2 HIS A 106 -13.077 12.481 -1.431 1.00 0.00 N ATOM 0 H HIS A 106 -11.943 13.251 -5.864 1.00 0.00 H new ATOM 0 HA HIS A 106 -14.806 12.475 -5.840 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -13.266 14.837 -4.760 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -14.997 14.603 -4.621 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -11.866 13.889 -2.608 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -14.836 11.319 -1.078 1.00 0.00 H new ATOM 0 HE2 HIS A 106 -12.492 12.266 -0.623 1.00 0.00 H new ATOM 1586 N GLU A 107 -14.410 13.300 -8.349 1.00 0.00 N ATOM 1587 CA GLU A 107 -14.742 13.912 -9.625 1.00 0.00 C ATOM 1588 C GLU A 107 -16.213 14.331 -9.645 1.00 0.00 C ATOM 1589 O GLU A 107 -17.061 13.665 -9.053 1.00 0.00 O ATOM 1590 CB GLU A 107 -14.425 12.967 -10.785 1.00 0.00 C ATOM 1591 CG GLU A 107 -15.388 11.779 -10.804 1.00 0.00 C ATOM 1592 CD GLU A 107 -16.643 12.103 -11.617 1.00 0.00 C ATOM 1593 OE1 GLU A 107 -16.478 12.708 -12.698 1.00 0.00 O ATOM 1594 OE2 GLU A 107 -17.739 11.738 -11.139 1.00 0.00 O ATOM 0 H GLU A 107 -14.194 12.304 -8.397 1.00 0.00 H new ATOM 0 HA GLU A 107 -14.128 14.804 -9.749 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -14.492 13.509 -11.728 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -13.400 12.607 -10.696 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -14.889 10.909 -11.230 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -15.669 11.518 -9.784 1.00 0.00 H new