USER MOD reduce.3.24.130724 H: found=0, std=0, add=737, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 716 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 25 HIS : no HE2:sc= -2.85! C(o=-4!,f=-12!) USER MOD Set 1.2: A 83 HIS : no HE2:sc= -1.11! C(o=-4!,f=-7.8!) USER MOD Set 2.1: A 69 HIS : no HE2:sc= 0.272 K(o=0.27,f=-1.4) USER MOD Set 2.2: A 106 HIS : no HD1:sc= 0 X(o=0.27,f=0.21) USER MOD Set 3.1: A 58 LYS NZ :NH3+ -133:sc= 0.547 (180deg=-0.101) USER MOD Set 3.2: A 65 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 48 SER OG : rot -140:sc= -0.638 USER MOD Set 4.2: A 51 CYS SG : rot 74:sc= -0.631! USER MOD Set 5.1: A 35 HIS :FLIP no HE2:sc= -2.13 F(o=-4.7,f=-4.1) USER MOD Set 5.2: A 52 HIS : no HE2:sc= 0 K(o=-4.1,f=-4.8) USER MOD Set 5.3: A 76 HIS :FLIP no HD1:sc= -1.93 F(o=-6,f=-4.1) USER MOD Set 6.1: A 22 HIS : no HD1:sc= -0.0354 X(o=-0.035,f=-0.21) USER MOD Set 6.2: A 34 HIS : no HE2:sc= 0 X(o=-0.035,f=-0.035) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ -104:sc= -0.198 (180deg=-2.3!) USER MOD Single : A 14 SER OG : rot 180:sc= -0.0535 USER MOD Single : A 15 GLN :FLIP amide:sc= -1.07 F(o=-2,f=-1.1) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 CYS SG : rot 180:sc= 0.0953 USER MOD Single : A 32 THR OG1 : rot -110:sc= -2.75 USER MOD Single : A 33 CYS SG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc=-0.00163 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 CYS SG : rot 180:sc= -0.633 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= -0.0151 USER MOD Single : A 78 SER OG : rot 139:sc= -4.22! USER MOD Single : A 79 CYS SG : rot 180:sc= 0.0496 USER MOD Single : A 82 CYS SG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= -0.0349 USER MOD Single : A 100 CYS SG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ -168:sc=-0.00269 (180deg=-0.124) USER MOD Single : A 103 SER OG : rot 180:sc= 1.48 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 25 N ALA A 3 3.490 9.891 -15.488 1.00 1.00 N ATOM 26 CA ALA A 3 2.120 9.504 -15.778 1.00 1.00 C ATOM 27 C ALA A 3 1.812 8.176 -15.084 1.00 1.00 C ATOM 28 O ALA A 3 2.530 7.194 -15.269 1.00 1.00 O ATOM 29 CB ALA A 3 1.920 9.430 -17.293 1.00 1.00 C ATOM 0 HA ALA A 3 1.422 10.247 -15.393 1.00 1.00 H new ATOM 0 HB1 ALA A 3 0.892 9.140 -17.511 1.00 1.00 H new ATOM 0 HB2 ALA A 3 2.123 10.406 -17.735 1.00 1.00 H new ATOM 0 HB3 ALA A 3 2.602 8.692 -17.714 1.00 1.00 H new ATOM 35 N VAL A 4 0.745 8.188 -14.299 1.00 1.00 N ATOM 36 CA VAL A 4 0.334 6.997 -13.576 1.00 1.00 C ATOM 37 C VAL A 4 0.409 5.787 -14.510 1.00 1.00 C ATOM 38 O VAL A 4 -0.367 5.641 -15.452 1.00 1.00 O ATOM 39 CB VAL A 4 -1.058 7.203 -12.976 1.00 1.00 C ATOM 40 CG1 VAL A 4 -2.125 7.253 -14.071 1.00 1.00 C ATOM 41 CG2 VAL A 4 -1.379 6.116 -11.948 1.00 1.00 C ATOM 0 H VAL A 4 0.152 9.004 -14.148 1.00 1.00 H new ATOM 0 HA VAL A 4 1.008 6.806 -12.741 1.00 1.00 H new ATOM 0 HB VAL A 4 -1.061 8.163 -12.460 1.00 1.00 H new ATOM 0 HG11 VAL A 4 -3.105 7.400 -13.617 1.00 1.00 H new ATOM 0 HG12 VAL A 4 -1.911 8.079 -14.750 1.00 1.00 H new ATOM 0 HG13 VAL A 4 -2.120 6.316 -14.627 1.00 1.00 H new ATOM 0 HG21 VAL A 4 -2.374 6.286 -11.537 1.00 1.00 H new ATOM 0 HG22 VAL A 4 -1.348 5.139 -12.430 1.00 1.00 H new ATOM 0 HG23 VAL A 4 -0.644 6.147 -11.144 1.00 1.00 H new ATOM 51 N PRO A 5 1.376 4.912 -14.223 1.00 1.00 N ATOM 52 CA PRO A 5 1.627 3.699 -14.972 1.00 1.00 C ATOM 53 C PRO A 5 0.329 2.921 -15.134 1.00 1.00 C ATOM 54 O PRO A 5 -0.371 2.722 -14.142 1.00 1.00 O ATOM 55 CB PRO A 5 2.632 2.919 -14.128 1.00 1.00 C ATOM 56 CG PRO A 5 3.342 3.953 -13.340 1.00 1.00 C ATOM 57 CD PRO A 5 2.306 5.053 -13.124 1.00 1.00 C ATOM 0 HA PRO A 5 2.010 3.891 -15.974 1.00 1.00 H new ATOM 0 HB2 PRO A 5 2.131 2.201 -13.479 1.00 1.00 H new ATOM 0 HB3 PRO A 5 3.323 2.355 -14.755 1.00 1.00 H new ATOM 0 HG2 PRO A 5 3.698 3.553 -12.391 1.00 1.00 H new ATOM 0 HG3 PRO A 5 4.214 4.329 -13.875 1.00 1.00 H new ATOM 0 HD2 PRO A 5 1.803 4.938 -12.164 1.00 1.00 H new ATOM 0 HD3 PRO A 5 2.771 6.039 -13.124 1.00 1.00 H new ATOM 65 N ASP A 6 0.034 2.505 -16.356 1.00 1.00 N ATOM 66 CA ASP A 6 -1.183 1.755 -16.619 1.00 1.00 C ATOM 67 C ASP A 6 -0.895 0.259 -16.479 1.00 1.00 C ATOM 68 O ASP A 6 -1.734 -0.573 -16.820 1.00 1.00 O ATOM 69 CB ASP A 6 -1.690 2.008 -18.040 1.00 1.00 C ATOM 70 CG ASP A 6 -0.974 1.212 -19.133 1.00 1.00 C ATOM 71 OD1 ASP A 6 0.079 0.602 -18.893 1.00 1.00 O ATOM 72 OD2 ASP A 6 -1.547 1.235 -20.288 1.00 1.00 O ATOM 0 H ASP A 6 0.617 2.673 -17.176 1.00 1.00 H new ATOM 0 HA ASP A 6 -1.939 2.078 -15.904 1.00 1.00 H new ATOM 0 HB2 ASP A 6 -2.754 1.772 -18.078 1.00 1.00 H new ATOM 0 HB3 ASP A 6 -1.591 3.071 -18.261 1.00 1.00 H new ATOM 78 N LYS A 7 0.294 -0.038 -15.975 1.00 1.00 N ATOM 79 CA LYS A 7 0.703 -1.419 -15.785 1.00 1.00 C ATOM 80 C LYS A 7 1.172 -1.614 -14.342 1.00 1.00 C ATOM 81 O LYS A 7 2.334 -1.405 -14.000 1.00 1.00 O ATOM 82 CB LYS A 7 1.747 -1.817 -16.831 1.00 1.00 C ATOM 83 CG LYS A 7 2.920 -0.835 -16.836 1.00 1.00 C ATOM 84 CD LYS A 7 3.147 -0.261 -18.236 1.00 1.00 C ATOM 85 CE LYS A 7 4.205 0.845 -18.210 1.00 1.00 C ATOM 86 NZ LYS A 7 5.121 0.713 -19.365 1.00 1.00 N ATOM 0 H LYS A 7 0.987 0.655 -15.692 1.00 1.00 H new ATOM 0 HA LYS A 7 -0.141 -2.091 -15.939 1.00 1.00 H new ATOM 0 HB2 LYS A 7 2.111 -2.823 -16.622 1.00 1.00 H new ATOM 0 HB3 LYS A 7 1.286 -1.843 -17.818 1.00 1.00 H new ATOM 0 HG2 LYS A 7 2.724 -0.025 -16.134 1.00 1.00 H new ATOM 0 HG3 LYS A 7 3.824 -1.340 -16.495 1.00 1.00 H new ATOM 0 HD2 LYS A 7 3.463 -1.056 -18.912 1.00 1.00 H new ATOM 0 HD3 LYS A 7 2.210 0.136 -18.627 1.00 1.00 H new ATOM 0 HE2 LYS A 7 3.720 1.821 -18.233 1.00 1.00 H new ATOM 0 HE3 LYS A 7 4.772 0.792 -17.281 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 5.832 1.471 -19.332 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 5.597 -0.211 -19.327 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 4.578 0.786 -20.249 1.00 1.00 H new ATOM 99 N PRO A 8 0.228 -2.025 -13.493 1.00 1.00 N ATOM 100 CA PRO A 8 0.450 -2.274 -12.085 1.00 1.00 C ATOM 101 C PRO A 8 1.792 -2.968 -11.894 1.00 1.00 C ATOM 102 O PRO A 8 2.251 -3.637 -12.819 1.00 1.00 O ATOM 103 CB PRO A 8 -0.701 -3.184 -11.662 1.00 1.00 C ATOM 104 CG PRO A 8 -1.864 -2.559 -12.542 1.00 1.00 C ATOM 105 CD PRO A 8 -1.147 -2.281 -13.861 1.00 1.00 C ATOM 0 HA PRO A 8 0.477 -1.360 -11.492 1.00 1.00 H new ATOM 0 HB2 PRO A 8 -0.515 -4.232 -11.897 1.00 1.00 H new ATOM 0 HB3 PRO A 8 -0.908 -3.129 -10.593 1.00 1.00 H new ATOM 0 HG2 PRO A 8 -2.697 -3.250 -12.668 1.00 1.00 H new ATOM 0 HG3 PRO A 8 -2.269 -1.650 -12.098 1.00 1.00 H new ATOM 0 HD2 PRO A 8 -1.222 -3.132 -14.538 1.00 1.00 H new ATOM 0 HD3 PRO A 8 -1.584 -1.425 -14.375 1.00 1.00 H new ATOM 113 N VAL A 9 2.387 -2.799 -10.723 1.00 1.00 N ATOM 114 CA VAL A 9 3.671 -3.416 -10.440 1.00 1.00 C ATOM 115 C VAL A 9 3.517 -4.392 -9.272 1.00 1.00 C ATOM 116 O VAL A 9 2.689 -4.180 -8.387 1.00 1.00 O ATOM 117 CB VAL A 9 4.725 -2.337 -10.182 1.00 1.00 C ATOM 118 CG1 VAL A 9 5.472 -1.981 -11.469 1.00 1.00 C ATOM 119 CG2 VAL A 9 4.094 -1.094 -9.552 1.00 1.00 C ATOM 0 H VAL A 9 2.003 -2.243 -9.959 1.00 1.00 H new ATOM 0 HA VAL A 9 4.016 -3.990 -11.300 1.00 1.00 H new ATOM 0 HB VAL A 9 5.450 -2.739 -9.475 1.00 1.00 H new ATOM 0 HG11 VAL A 9 6.215 -1.212 -11.258 1.00 1.00 H new ATOM 0 HG12 VAL A 9 5.970 -2.869 -11.858 1.00 1.00 H new ATOM 0 HG13 VAL A 9 4.764 -1.608 -12.209 1.00 1.00 H new ATOM 0 HG21 VAL A 9 4.865 -0.343 -9.379 1.00 1.00 H new ATOM 0 HG22 VAL A 9 3.337 -0.690 -10.224 1.00 1.00 H new ATOM 0 HG23 VAL A 9 3.630 -1.363 -8.603 1.00 1.00 H new ATOM 129 N GLU A 10 4.326 -5.440 -9.307 1.00 1.00 N ATOM 130 CA GLU A 10 4.290 -6.450 -8.262 1.00 1.00 C ATOM 131 C GLU A 10 5.101 -5.988 -7.050 1.00 1.00 C ATOM 132 O GLU A 10 6.096 -5.280 -7.197 1.00 1.00 O ATOM 133 CB GLU A 10 4.799 -7.795 -8.782 1.00 1.00 C ATOM 134 CG GLU A 10 6.274 -7.708 -9.178 1.00 1.00 C ATOM 135 CD GLU A 10 6.424 -7.409 -10.671 1.00 1.00 C ATOM 136 OE1 GLU A 10 5.479 -7.625 -11.445 1.00 1.00 O ATOM 137 OE2 GLU A 10 7.572 -6.934 -11.019 1.00 1.00 O ATOM 0 H GLU A 10 5.011 -5.612 -10.043 1.00 1.00 H new ATOM 0 HA GLU A 10 3.254 -6.587 -7.951 1.00 1.00 H new ATOM 0 HB2 GLU A 10 4.669 -8.558 -8.015 1.00 1.00 H new ATOM 0 HB3 GLU A 10 4.206 -8.104 -9.642 1.00 1.00 H new ATOM 0 HG2 GLU A 10 6.765 -6.928 -8.596 1.00 1.00 H new ATOM 0 HG3 GLU A 10 6.774 -8.647 -8.939 1.00 1.00 H new ATOM 145 N VAL A 11 4.645 -6.408 -5.879 1.00 1.00 N ATOM 146 CA VAL A 11 5.316 -6.047 -4.641 1.00 1.00 C ATOM 147 C VAL A 11 5.744 -7.319 -3.908 1.00 1.00 C ATOM 148 O VAL A 11 5.157 -7.680 -2.889 1.00 1.00 O ATOM 149 CB VAL A 11 4.410 -5.147 -3.799 1.00 1.00 C ATOM 150 CG1 VAL A 11 5.152 -4.621 -2.568 1.00 1.00 C ATOM 151 CG2 VAL A 11 3.850 -3.995 -4.635 1.00 1.00 C ATOM 0 H VAL A 11 3.819 -6.995 -5.761 1.00 1.00 H new ATOM 0 HA VAL A 11 6.219 -5.473 -4.849 1.00 1.00 H new ATOM 0 HB VAL A 11 3.569 -5.748 -3.453 1.00 1.00 H new ATOM 0 HG11 VAL A 11 4.486 -3.984 -1.986 1.00 1.00 H new ATOM 0 HG12 VAL A 11 5.479 -5.460 -1.954 1.00 1.00 H new ATOM 0 HG13 VAL A 11 6.020 -4.044 -2.886 1.00 1.00 H new ATOM 0 HG21 VAL A 11 3.209 -3.371 -4.012 1.00 1.00 H new ATOM 0 HG22 VAL A 11 4.672 -3.395 -5.025 1.00 1.00 H new ATOM 0 HG23 VAL A 11 3.269 -4.397 -5.465 1.00 1.00 H new ATOM 161 N LYS A 12 6.764 -7.964 -4.455 1.00 1.00 N ATOM 162 CA LYS A 12 7.278 -9.189 -3.865 1.00 1.00 C ATOM 163 C LYS A 12 7.708 -8.914 -2.422 1.00 1.00 C ATOM 164 O LYS A 12 8.864 -8.580 -2.168 1.00 1.00 O ATOM 165 CB LYS A 12 8.389 -9.778 -4.736 1.00 1.00 C ATOM 166 CG LYS A 12 8.043 -9.657 -6.222 1.00 1.00 C ATOM 167 CD LYS A 12 8.630 -10.825 -7.018 1.00 1.00 C ATOM 168 CE LYS A 12 9.346 -10.326 -8.275 1.00 1.00 C ATOM 169 NZ LYS A 12 8.485 -10.504 -9.466 1.00 1.00 N ATOM 0 H LYS A 12 7.248 -7.662 -5.300 1.00 1.00 H new ATOM 0 HA LYS A 12 6.498 -9.949 -3.826 1.00 1.00 H new ATOM 0 HB2 LYS A 12 9.327 -9.261 -4.534 1.00 1.00 H new ATOM 0 HB3 LYS A 12 8.541 -10.826 -4.478 1.00 1.00 H new ATOM 0 HG2 LYS A 12 6.960 -9.635 -6.346 1.00 1.00 H new ATOM 0 HG3 LYS A 12 8.428 -8.715 -6.613 1.00 1.00 H new ATOM 0 HD2 LYS A 12 9.329 -11.381 -6.393 1.00 1.00 H new ATOM 0 HD3 LYS A 12 7.834 -11.515 -7.298 1.00 1.00 H new ATOM 0 HE2 LYS A 12 9.605 -9.273 -8.160 1.00 1.00 H new ATOM 0 HE3 LYS A 12 10.280 -10.871 -8.409 1.00 1.00 H new ATOM 0 HZ1 LYS A 12 8.820 -11.320 -10.017 1.00 1.00 H new ATOM 0 HZ2 LYS A 12 7.504 -10.669 -9.163 1.00 1.00 H new ATOM 0 HZ3 LYS A 12 8.526 -9.648 -10.055 1.00 1.00 H new ATOM 182 N GLY A 13 6.754 -9.065 -1.515 1.00 1.00 N ATOM 183 CA GLY A 13 7.019 -8.837 -0.105 1.00 1.00 C ATOM 184 C GLY A 13 8.077 -9.811 0.418 1.00 1.00 C ATOM 185 O GLY A 13 8.958 -10.236 -0.328 1.00 1.00 O ATOM 0 H GLY A 13 5.796 -9.343 -1.729 1.00 1.00 H new ATOM 0 HA2 GLY A 13 7.358 -7.812 0.044 1.00 1.00 H new ATOM 0 HA3 GLY A 13 6.098 -8.954 0.466 1.00 1.00 H new ATOM 189 N SER A 14 7.955 -10.137 1.697 1.00 1.00 N ATOM 190 CA SER A 14 8.889 -11.052 2.328 1.00 1.00 C ATOM 191 C SER A 14 8.819 -12.422 1.650 1.00 1.00 C ATOM 192 O SER A 14 9.824 -12.922 1.147 1.00 1.00 O ATOM 193 CB SER A 14 8.603 -11.186 3.825 1.00 1.00 C ATOM 194 OG SER A 14 8.584 -12.548 4.246 1.00 1.00 O ATOM 0 H SER A 14 7.223 -9.783 2.313 1.00 1.00 H new ATOM 0 HA SER A 14 9.894 -10.647 2.212 1.00 1.00 H new ATOM 0 HB2 SER A 14 9.361 -10.643 4.389 1.00 1.00 H new ATOM 0 HB3 SER A 14 7.643 -10.723 4.054 1.00 1.00 H new ATOM 0 HG SER A 14 8.400 -12.591 5.208 1.00 1.00 H new ATOM 200 N GLN A 15 7.622 -12.990 1.657 1.00 1.00 N ATOM 201 CA GLN A 15 7.408 -14.292 1.049 1.00 1.00 C ATOM 202 C GLN A 15 6.003 -14.372 0.448 1.00 1.00 C ATOM 203 O GLN A 15 5.293 -15.356 0.650 1.00 1.00 O ATOM 204 CB GLN A 15 7.635 -15.415 2.063 1.00 1.00 C ATOM 205 CG GLN A 15 8.295 -16.626 1.401 1.00 1.00 C ATOM 206 CD GLN A 15 7.298 -17.380 0.519 1.00 1.00 C ATOM 207 OE1 GLN A 15 6.185 -17.744 1.150 1.00 1.00 O flip ATOM 208 NE2 GLN A 15 7.523 -17.615 -0.657 1.00 1.00 N flip ATOM 0 H GLN A 15 6.790 -12.572 2.074 1.00 1.00 H new ATOM 0 HA GLN A 15 8.134 -14.420 0.246 1.00 1.00 H new ATOM 0 HB2 GLN A 15 8.264 -15.053 2.877 1.00 1.00 H new ATOM 0 HB3 GLN A 15 6.683 -15.711 2.503 1.00 1.00 H new ATOM 0 HG2 GLN A 15 9.143 -16.299 0.800 1.00 1.00 H new ATOM 0 HG3 GLN A 15 8.687 -17.295 2.167 1.00 1.00 H new ATOM 0 HE21 GLN A 15 8.399 -17.307 -1.080 1.00 1.00 H new ATOM 0 HE22 GLN A 15 6.836 -18.119 -1.217 1.00 1.00 H new ATOM 217 N LYS A 16 5.645 -13.325 -0.280 1.00 1.00 N ATOM 218 CA LYS A 16 4.338 -13.264 -0.911 1.00 1.00 C ATOM 219 C LYS A 16 4.341 -12.165 -1.976 1.00 1.00 C ATOM 220 O LYS A 16 4.740 -11.034 -1.705 1.00 1.00 O ATOM 221 CB LYS A 16 3.241 -13.096 0.142 1.00 1.00 C ATOM 222 CG LYS A 16 2.418 -14.378 0.285 1.00 1.00 C ATOM 223 CD LYS A 16 1.101 -14.274 -0.486 1.00 1.00 C ATOM 224 CE LYS A 16 0.949 -15.434 -1.471 1.00 1.00 C ATOM 225 NZ LYS A 16 -0.404 -16.026 -1.370 1.00 1.00 N ATOM 0 H LYS A 16 6.238 -12.512 -0.447 1.00 1.00 H new ATOM 0 HA LYS A 16 4.118 -14.202 -1.420 1.00 1.00 H new ATOM 0 HB2 LYS A 16 3.689 -12.838 1.102 1.00 1.00 H new ATOM 0 HB3 LYS A 16 2.588 -12.269 -0.137 1.00 1.00 H new ATOM 0 HG2 LYS A 16 2.994 -15.227 -0.084 1.00 1.00 H new ATOM 0 HG3 LYS A 16 2.213 -14.567 1.339 1.00 1.00 H new ATOM 0 HD2 LYS A 16 0.265 -14.274 0.214 1.00 1.00 H new ATOM 0 HD3 LYS A 16 1.065 -13.327 -1.025 1.00 1.00 H new ATOM 0 HE2 LYS A 16 1.123 -15.081 -2.487 1.00 1.00 H new ATOM 0 HE3 LYS A 16 1.702 -16.195 -1.265 1.00 1.00 H new ATOM 0 HZ1 LYS A 16 -0.490 -16.812 -2.045 1.00 1.00 H new ATOM 0 HZ2 LYS A 16 -0.556 -16.381 -0.404 1.00 1.00 H new ATOM 0 HZ3 LYS A 16 -1.117 -15.301 -1.589 1.00 1.00 H new ATOM 238 N THR A 17 3.893 -12.537 -3.166 1.00 1.00 N ATOM 239 CA THR A 17 3.839 -11.598 -4.273 1.00 1.00 C ATOM 240 C THR A 17 2.464 -10.931 -4.341 1.00 1.00 C ATOM 241 O THR A 17 1.451 -11.606 -4.523 1.00 1.00 O ATOM 242 CB THR A 17 4.213 -12.351 -5.551 1.00 1.00 C ATOM 243 OG1 THR A 17 5.547 -12.792 -5.317 1.00 1.00 O ATOM 244 CG2 THR A 17 4.334 -11.425 -6.763 1.00 1.00 C ATOM 0 H THR A 17 3.564 -13.477 -3.388 1.00 1.00 H new ATOM 0 HA THR A 17 4.553 -10.785 -4.137 1.00 1.00 H new ATOM 0 HB THR A 17 3.464 -13.116 -5.753 1.00 1.00 H new ATOM 0 HG1 THR A 17 5.868 -13.292 -6.097 1.00 1.00 H new ATOM 0 HG21 THR A 17 4.601 -12.010 -7.643 1.00 1.00 H new ATOM 0 HG22 THR A 17 3.381 -10.925 -6.935 1.00 1.00 H new ATOM 0 HG23 THR A 17 5.106 -10.679 -6.575 1.00 1.00 H new ATOM 252 N VAL A 18 2.471 -9.615 -4.190 1.00 1.00 N ATOM 253 CA VAL A 18 1.237 -8.849 -4.232 1.00 1.00 C ATOM 254 C VAL A 18 1.390 -7.697 -5.227 1.00 1.00 C ATOM 255 O VAL A 18 2.326 -6.906 -5.126 1.00 1.00 O ATOM 256 CB VAL A 18 0.865 -8.379 -2.824 1.00 1.00 C ATOM 257 CG1 VAL A 18 -0.501 -7.691 -2.819 1.00 1.00 C ATOM 258 CG2 VAL A 18 0.897 -9.543 -1.831 1.00 1.00 C ATOM 0 H VAL A 18 3.313 -9.059 -4.038 1.00 1.00 H new ATOM 0 HA VAL A 18 0.413 -9.471 -4.581 1.00 1.00 H new ATOM 0 HB VAL A 18 1.609 -7.648 -2.507 1.00 1.00 H new ATOM 0 HG11 VAL A 18 -0.741 -7.367 -1.806 1.00 1.00 H new ATOM 0 HG12 VAL A 18 -0.475 -6.825 -3.481 1.00 1.00 H new ATOM 0 HG13 VAL A 18 -1.262 -8.390 -3.166 1.00 1.00 H new ATOM 0 HG21 VAL A 18 0.629 -9.182 -0.838 1.00 1.00 H new ATOM 0 HG22 VAL A 18 0.186 -10.307 -2.143 1.00 1.00 H new ATOM 0 HG23 VAL A 18 1.899 -9.970 -1.803 1.00 1.00 H new ATOM 268 N MET A 19 0.456 -7.639 -6.164 1.00 1.00 N ATOM 269 CA MET A 19 0.475 -6.596 -7.176 1.00 1.00 C ATOM 270 C MET A 19 -0.569 -5.519 -6.873 1.00 1.00 C ATOM 271 O MET A 19 -1.708 -5.832 -6.531 1.00 1.00 O ATOM 272 CB MET A 19 0.191 -7.210 -8.548 1.00 1.00 C ATOM 273 CG MET A 19 -1.145 -7.957 -8.548 1.00 1.00 C ATOM 274 SD MET A 19 -2.153 -7.405 -9.914 1.00 1.00 S ATOM 275 CE MET A 19 -2.216 -8.905 -10.879 1.00 1.00 C ATOM 0 H MET A 19 -0.319 -8.297 -6.244 1.00 1.00 H new ATOM 0 HA MET A 19 1.461 -6.131 -7.173 1.00 1.00 H new ATOM 0 HB2 MET A 19 0.173 -6.426 -9.305 1.00 1.00 H new ATOM 0 HB3 MET A 19 0.995 -7.895 -8.817 1.00 1.00 H new ATOM 0 HG2 MET A 19 -0.971 -9.030 -8.624 1.00 1.00 H new ATOM 0 HG3 MET A 19 -1.667 -7.785 -7.607 1.00 1.00 H new ATOM 0 HE1 MET A 19 -2.812 -8.736 -11.776 1.00 1.00 H new ATOM 0 HE2 MET A 19 -1.205 -9.197 -11.164 1.00 1.00 H new ATOM 0 HE3 MET A 19 -2.670 -9.700 -10.287 1.00 1.00 H new ATOM 285 N PHE A 20 -0.142 -4.272 -7.009 1.00 1.00 N ATOM 286 CA PHE A 20 -1.025 -3.146 -6.754 1.00 1.00 C ATOM 287 C PHE A 20 -1.334 -2.388 -8.047 1.00 1.00 C ATOM 288 O PHE A 20 -0.447 -1.919 -8.756 1.00 1.00 O ATOM 289 CB PHE A 20 -0.291 -2.211 -5.791 1.00 1.00 C ATOM 290 CG PHE A 20 -0.861 -0.792 -5.746 1.00 1.00 C ATOM 291 CD1 PHE A 20 -1.942 -0.518 -4.968 1.00 1.00 C ATOM 292 CD2 PHE A 20 -0.287 0.195 -6.485 1.00 1.00 C ATOM 293 CE1 PHE A 20 -2.471 0.799 -4.926 1.00 1.00 C ATOM 294 CE2 PHE A 20 -0.816 1.512 -6.443 1.00 1.00 C ATOM 295 CZ PHE A 20 -1.897 1.786 -5.665 1.00 1.00 C ATOM 0 H PHE A 20 0.804 -4.016 -7.293 1.00 1.00 H new ATOM 0 HA PHE A 20 -1.968 -3.499 -6.338 1.00 1.00 H new ATOM 0 HB2 PHE A 20 -0.326 -2.638 -4.789 1.00 1.00 H new ATOM 0 HB3 PHE A 20 0.759 -2.161 -6.079 1.00 1.00 H new ATOM 0 HD1 PHE A 20 -2.398 -1.302 -4.382 1.00 1.00 H new ATOM 0 HD2 PHE A 20 0.571 -0.023 -7.104 1.00 1.00 H new ATOM 0 HE1 PHE A 20 -3.329 1.017 -4.307 1.00 1.00 H new ATOM 0 HE2 PHE A 20 -0.360 2.296 -7.029 1.00 1.00 H new ATOM 0 HZ PHE A 20 -2.300 2.788 -5.634 1.00 1.00 H new ATOM 305 N PRO A 21 -2.632 -2.278 -8.339 1.00 1.00 N ATOM 306 CA PRO A 21 -3.150 -1.602 -9.509 1.00 1.00 C ATOM 307 C PRO A 21 -3.330 -0.122 -9.205 1.00 1.00 C ATOM 308 O PRO A 21 -3.815 0.215 -8.127 1.00 1.00 O ATOM 309 CB PRO A 21 -4.494 -2.272 -9.785 1.00 1.00 C ATOM 310 CG PRO A 21 -4.979 -2.519 -8.308 1.00 1.00 C ATOM 311 CD PRO A 21 -3.701 -2.818 -7.527 1.00 1.00 C ATOM 0 HA PRO A 21 -2.484 -1.671 -10.369 1.00 1.00 H new ATOM 0 HB2 PRO A 21 -5.173 -1.630 -10.346 1.00 1.00 H new ATOM 0 HB3 PRO A 21 -4.391 -3.198 -10.351 1.00 1.00 H new ATOM 0 HG2 PRO A 21 -5.492 -1.645 -7.908 1.00 1.00 H new ATOM 0 HG3 PRO A 21 -5.680 -3.352 -8.255 1.00 1.00 H new ATOM 0 HD2 PRO A 21 -3.722 -2.352 -6.542 1.00 1.00 H new ATOM 0 HD3 PRO A 21 -3.575 -3.889 -7.371 1.00 1.00 H new ATOM 319 N HIS A 22 -2.938 0.734 -10.150 1.00 1.00 N ATOM 320 CA HIS A 22 -3.047 2.181 -10.002 1.00 1.00 C ATOM 321 C HIS A 22 -4.435 2.650 -10.474 1.00 1.00 C ATOM 322 O HIS A 22 -4.980 3.611 -9.933 1.00 1.00 O ATOM 323 CB HIS A 22 -1.872 2.845 -10.736 1.00 1.00 C ATOM 324 CG HIS A 22 -0.635 3.133 -9.917 1.00 1.00 C ATOM 325 ND1 HIS A 22 0.487 2.417 -10.033 1.00 1.00 N ATOM 326 CD2 HIS A 22 -0.382 4.088 -8.962 1.00 1.00 C ATOM 327 CE1 HIS A 22 1.404 2.907 -9.184 1.00 1.00 C ATOM 328 NE2 HIS A 22 0.919 3.940 -8.497 1.00 1.00 N ATOM 0 H HIS A 22 -2.536 0.440 -11.040 1.00 1.00 H new ATOM 0 HA HIS A 22 -2.974 2.482 -8.957 1.00 1.00 H new ATOM 0 HB2 HIS A 22 -1.586 2.204 -11.570 1.00 1.00 H new ATOM 0 HB3 HIS A 22 -2.224 3.784 -11.162 1.00 1.00 H new ATOM 0 HD2 HIS A 22 -1.084 4.836 -8.626 1.00 1.00 H new ATOM 0 HE1 HIS A 22 2.404 2.515 -9.073 1.00 1.00 H new ATOM 0 HE2 HIS A 22 1.396 4.498 -7.788 1.00 1.00 H new ATOM 336 N ALA A 23 -4.961 1.952 -11.469 1.00 1.00 N ATOM 337 CA ALA A 23 -6.267 2.287 -12.010 1.00 1.00 C ATOM 338 C ALA A 23 -7.258 2.478 -10.860 1.00 1.00 C ATOM 339 O ALA A 23 -7.914 3.509 -10.728 1.00 1.00 O ATOM 340 CB ALA A 23 -6.711 1.196 -12.987 1.00 1.00 C ATOM 0 H ALA A 23 -4.506 1.155 -11.915 1.00 1.00 H new ATOM 0 HA ALA A 23 -6.223 3.224 -12.566 1.00 1.00 H new ATOM 0 HB1 ALA A 23 -7.691 1.448 -13.393 1.00 1.00 H new ATOM 0 HB2 ALA A 23 -5.990 1.121 -13.801 1.00 1.00 H new ATOM 0 HB3 ALA A 23 -6.769 0.241 -12.464 1.00 1.00 H new ATOM 346 N PRO A 24 -7.351 1.446 -10.019 1.00 1.00 N ATOM 347 CA PRO A 24 -8.222 1.411 -8.863 1.00 1.00 C ATOM 348 C PRO A 24 -7.779 2.465 -7.859 1.00 1.00 C ATOM 349 O PRO A 24 -8.459 2.659 -6.853 1.00 1.00 O ATOM 350 CB PRO A 24 -8.056 0.005 -8.290 1.00 1.00 C ATOM 351 CG PRO A 24 -7.431 -0.836 -9.424 1.00 1.00 C ATOM 352 CD PRO A 24 -6.595 0.219 -10.144 1.00 1.00 C ATOM 0 HA PRO A 24 -9.263 1.623 -9.109 1.00 1.00 H new ATOM 0 HB2 PRO A 24 -7.414 0.014 -7.409 1.00 1.00 H new ATOM 0 HB3 PRO A 24 -9.016 -0.407 -7.980 1.00 1.00 H new ATOM 0 HG2 PRO A 24 -6.821 -1.655 -9.042 1.00 1.00 H new ATOM 0 HG3 PRO A 24 -8.186 -1.278 -10.074 1.00 1.00 H new ATOM 0 HD2 PRO A 24 -5.608 0.316 -9.692 1.00 1.00 H new ATOM 0 HD3 PRO A 24 -6.442 -0.045 -11.190 1.00 1.00 H new ATOM 360 N HIS A 25 -6.655 3.124 -8.141 1.00 1.00 N ATOM 361 CA HIS A 25 -6.106 4.160 -7.273 1.00 1.00 C ATOM 362 C HIS A 25 -5.733 5.397 -8.110 1.00 1.00 C ATOM 363 O HIS A 25 -4.714 6.036 -7.850 1.00 1.00 O ATOM 364 CB HIS A 25 -4.940 3.567 -6.468 1.00 1.00 C ATOM 365 CG HIS A 25 -5.248 2.356 -5.617 1.00 1.00 C ATOM 366 ND1 HIS A 25 -5.101 1.106 -6.066 1.00 1.00 N ATOM 367 CD2 HIS A 25 -5.701 2.248 -4.325 1.00 1.00 C ATOM 368 CE1 HIS A 25 -5.449 0.252 -5.091 1.00 1.00 C ATOM 369 NE2 HIS A 25 -5.828 0.904 -3.994 1.00 1.00 N ATOM 0 H HIS A 25 -6.100 2.952 -8.980 1.00 1.00 H new ATOM 0 HA HIS A 25 -6.843 4.505 -6.548 1.00 1.00 H new ATOM 0 HB2 HIS A 25 -4.146 3.299 -7.166 1.00 1.00 H new ATOM 0 HB3 HIS A 25 -4.544 4.347 -5.818 1.00 1.00 H new ATOM 0 HD1 HIS A 25 -4.777 0.844 -6.997 1.00 1.00 H new ATOM 0 HD2 HIS A 25 -5.924 3.077 -3.669 1.00 1.00 H new ATOM 0 HE1 HIS A 25 -5.425 -0.824 -5.184 1.00 1.00 H new ATOM 377 N GLU A 26 -6.574 5.693 -9.090 1.00 1.00 N ATOM 378 CA GLU A 26 -6.341 6.836 -9.957 1.00 1.00 C ATOM 379 C GLU A 26 -7.238 8.005 -9.545 1.00 1.00 C ATOM 380 O GLU A 26 -7.312 9.013 -10.247 1.00 1.00 O ATOM 381 CB GLU A 26 -6.563 6.465 -11.425 1.00 1.00 C ATOM 382 CG GLU A 26 -5.306 6.733 -12.254 1.00 1.00 C ATOM 383 CD GLU A 26 -5.648 7.488 -13.540 1.00 1.00 C ATOM 384 OE1 GLU A 26 -6.417 6.982 -14.370 1.00 1.00 O ATOM 385 OE2 GLU A 26 -5.083 8.642 -13.661 1.00 1.00 O ATOM 0 H GLU A 26 -7.418 5.161 -9.303 1.00 1.00 H new ATOM 0 HA GLU A 26 -5.301 7.145 -9.848 1.00 1.00 H new ATOM 0 HB2 GLU A 26 -6.835 5.412 -11.501 1.00 1.00 H new ATOM 0 HB3 GLU A 26 -7.397 7.040 -11.827 1.00 1.00 H new ATOM 0 HG2 GLU A 26 -4.595 7.313 -11.666 1.00 1.00 H new ATOM 0 HG3 GLU A 26 -4.820 5.789 -12.501 1.00 1.00 H new ATOM 393 N LYS A 27 -7.897 7.832 -8.408 1.00 1.00 N ATOM 394 CA LYS A 27 -8.786 8.861 -7.895 1.00 1.00 C ATOM 395 C LYS A 27 -8.316 9.286 -6.502 1.00 1.00 C ATOM 396 O LYS A 27 -8.891 10.189 -5.898 1.00 1.00 O ATOM 397 CB LYS A 27 -10.238 8.382 -7.933 1.00 1.00 C ATOM 398 CG LYS A 27 -10.504 7.347 -6.838 1.00 1.00 C ATOM 399 CD LYS A 27 -11.237 6.128 -7.402 1.00 1.00 C ATOM 400 CE LYS A 27 -12.713 6.443 -7.652 1.00 1.00 C ATOM 401 NZ LYS A 27 -13.541 5.231 -7.461 1.00 1.00 N ATOM 0 H LYS A 27 -7.833 6.995 -7.828 1.00 1.00 H new ATOM 0 HA LYS A 27 -8.750 9.747 -8.529 1.00 1.00 H new ATOM 0 HB2 LYS A 27 -10.908 9.232 -7.805 1.00 1.00 H new ATOM 0 HB3 LYS A 27 -10.456 7.948 -8.909 1.00 1.00 H new ATOM 0 HG2 LYS A 27 -9.560 7.034 -6.392 1.00 1.00 H new ATOM 0 HG3 LYS A 27 -11.098 7.798 -6.043 1.00 1.00 H new ATOM 0 HD2 LYS A 27 -10.766 5.815 -8.333 1.00 1.00 H new ATOM 0 HD3 LYS A 27 -11.152 5.294 -6.705 1.00 1.00 H new ATOM 0 HE2 LYS A 27 -13.044 7.228 -6.972 1.00 1.00 H new ATOM 0 HE3 LYS A 27 -12.843 6.824 -8.665 1.00 1.00 H new ATOM 0 HZ1 LYS A 27 -14.540 5.462 -7.634 1.00 1.00 H new ATOM 0 HZ2 LYS A 27 -13.236 4.493 -8.127 1.00 1.00 H new ATOM 0 HZ3 LYS A 27 -13.430 4.885 -6.487 1.00 1.00 H new ATOM 414 N VAL A 28 -7.274 8.614 -6.034 1.00 1.00 N ATOM 415 CA VAL A 28 -6.720 8.911 -4.724 1.00 1.00 C ATOM 416 C VAL A 28 -5.427 9.712 -4.891 1.00 1.00 C ATOM 417 O VAL A 28 -4.494 9.261 -5.554 1.00 1.00 O ATOM 418 CB VAL A 28 -6.522 7.616 -3.933 1.00 1.00 C ATOM 419 CG1 VAL A 28 -6.074 7.911 -2.500 1.00 1.00 C ATOM 420 CG2 VAL A 28 -7.794 6.766 -3.946 1.00 1.00 C ATOM 0 H VAL A 28 -6.799 7.865 -6.538 1.00 1.00 H new ATOM 0 HA VAL A 28 -7.412 9.526 -4.148 1.00 1.00 H new ATOM 0 HB VAL A 28 -5.732 7.044 -4.419 1.00 1.00 H new ATOM 0 HG11 VAL A 28 -5.941 6.973 -1.960 1.00 1.00 H new ATOM 0 HG12 VAL A 28 -5.130 8.456 -2.519 1.00 1.00 H new ATOM 0 HG13 VAL A 28 -6.831 8.514 -1.999 1.00 1.00 H new ATOM 0 HG21 VAL A 28 -7.626 5.852 -3.377 1.00 1.00 H new ATOM 0 HG22 VAL A 28 -8.612 7.329 -3.496 1.00 1.00 H new ATOM 0 HG23 VAL A 28 -8.051 6.511 -4.974 1.00 1.00 H new ATOM 430 N GLU A 29 -5.414 10.888 -4.279 1.00 1.00 N ATOM 431 CA GLU A 29 -4.251 11.756 -4.352 1.00 1.00 C ATOM 432 C GLU A 29 -2.969 10.943 -4.167 1.00 1.00 C ATOM 433 O GLU A 29 -2.848 10.177 -3.212 1.00 1.00 O ATOM 434 CB GLU A 29 -4.342 12.881 -3.320 1.00 1.00 C ATOM 435 CG GLU A 29 -4.625 14.224 -3.995 1.00 1.00 C ATOM 436 CD GLU A 29 -4.585 15.368 -2.980 1.00 1.00 C ATOM 437 OE1 GLU A 29 -5.349 15.357 -2.003 1.00 1.00 O ATOM 438 OE2 GLU A 29 -3.721 16.292 -3.233 1.00 1.00 O ATOM 0 H GLU A 29 -6.190 11.259 -3.731 1.00 1.00 H new ATOM 0 HA GLU A 29 -4.226 12.215 -5.340 1.00 1.00 H new ATOM 0 HB2 GLU A 29 -5.131 12.658 -2.602 1.00 1.00 H new ATOM 0 HB3 GLU A 29 -3.409 12.941 -2.760 1.00 1.00 H new ATOM 0 HG2 GLU A 29 -3.889 14.403 -4.779 1.00 1.00 H new ATOM 0 HG3 GLU A 29 -5.603 14.194 -4.476 1.00 1.00 H new ATOM 446 N CYS A 30 -2.043 11.137 -5.095 1.00 1.00 N ATOM 447 CA CYS A 30 -0.774 10.431 -5.045 1.00 1.00 C ATOM 448 C CYS A 30 -0.229 10.523 -3.618 1.00 1.00 C ATOM 449 O CYS A 30 0.024 9.502 -2.980 1.00 1.00 O ATOM 450 CB CYS A 30 0.219 10.980 -6.072 1.00 1.00 C ATOM 451 SG CYS A 30 -0.489 11.302 -7.728 1.00 1.00 S ATOM 0 H CYS A 30 -2.146 11.773 -5.886 1.00 1.00 H new ATOM 0 HA CYS A 30 -0.926 9.384 -5.308 1.00 1.00 H new ATOM 0 HB2 CYS A 30 0.643 11.907 -5.687 1.00 1.00 H new ATOM 0 HB3 CYS A 30 1.042 10.272 -6.175 1.00 1.00 H new ATOM 0 HG CYS A 30 0.438 11.765 -8.513 1.00 1.00 H new ATOM 456 N VAL A 31 -0.063 11.755 -3.160 1.00 1.00 N ATOM 457 CA VAL A 31 0.447 11.993 -1.821 1.00 1.00 C ATOM 458 C VAL A 31 -0.211 11.013 -0.847 1.00 1.00 C ATOM 459 O VAL A 31 0.472 10.372 -0.050 1.00 1.00 O ATOM 460 CB VAL A 31 0.233 13.457 -1.432 1.00 1.00 C ATOM 461 CG1 VAL A 31 -1.227 13.870 -1.632 1.00 1.00 C ATOM 462 CG2 VAL A 31 0.683 13.713 0.008 1.00 1.00 C ATOM 0 H VAL A 31 -0.273 12.599 -3.693 1.00 1.00 H new ATOM 0 HA VAL A 31 1.522 11.815 -1.785 1.00 1.00 H new ATOM 0 HB VAL A 31 0.848 14.072 -2.089 1.00 1.00 H new ATOM 0 HG11 VAL A 31 -1.352 14.915 -1.348 1.00 1.00 H new ATOM 0 HG12 VAL A 31 -1.501 13.743 -2.679 1.00 1.00 H new ATOM 0 HG13 VAL A 31 -1.870 13.246 -1.011 1.00 1.00 H new ATOM 0 HG21 VAL A 31 0.520 14.761 0.259 1.00 1.00 H new ATOM 0 HG22 VAL A 31 0.107 13.084 0.686 1.00 1.00 H new ATOM 0 HG23 VAL A 31 1.743 13.477 0.105 1.00 1.00 H new ATOM 472 N THR A 32 -1.530 10.928 -0.944 1.00 1.00 N ATOM 473 CA THR A 32 -2.287 10.038 -0.082 1.00 1.00 C ATOM 474 C THR A 32 -1.520 8.733 0.143 1.00 1.00 C ATOM 475 O THR A 32 -1.508 8.199 1.251 1.00 1.00 O ATOM 476 CB THR A 32 -3.667 9.831 -0.711 1.00 1.00 C ATOM 477 OG1 THR A 32 -3.976 11.094 -1.293 1.00 1.00 O ATOM 478 CG2 THR A 32 -4.763 9.625 0.337 1.00 1.00 C ATOM 0 H THR A 32 -2.093 11.461 -1.607 1.00 1.00 H new ATOM 0 HA THR A 32 -2.427 10.471 0.908 1.00 1.00 H new ATOM 0 HB THR A 32 -3.636 8.970 -1.378 1.00 1.00 H new ATOM 0 HG1 THR A 32 -4.700 11.519 -0.787 1.00 1.00 H new ATOM 0 HG21 THR A 32 -5.722 9.483 -0.162 1.00 1.00 H new ATOM 0 HG22 THR A 32 -4.532 8.745 0.937 1.00 1.00 H new ATOM 0 HG23 THR A 32 -4.817 10.501 0.984 1.00 1.00 H new ATOM 486 N CYS A 33 -0.900 8.257 -0.926 1.00 1.00 N ATOM 487 CA CYS A 33 -0.133 7.025 -0.860 1.00 1.00 C ATOM 488 C CYS A 33 1.353 7.386 -0.818 1.00 1.00 C ATOM 489 O CYS A 33 2.078 6.970 0.083 1.00 1.00 O ATOM 490 CB CYS A 33 -0.461 6.090 -2.026 1.00 1.00 C ATOM 491 SG CYS A 33 -1.716 4.863 -1.511 1.00 1.00 S ATOM 0 H CYS A 33 -0.913 8.702 -1.843 1.00 1.00 H new ATOM 0 HA CYS A 33 -0.398 6.477 0.044 1.00 1.00 H new ATOM 0 HB2 CYS A 33 -0.831 6.668 -2.873 1.00 1.00 H new ATOM 0 HB3 CYS A 33 0.443 5.580 -2.359 1.00 1.00 H new ATOM 0 HG CYS A 33 -1.989 4.076 -2.509 1.00 1.00 H new ATOM 496 N HIS A 34 1.772 8.165 -1.816 1.00 1.00 N ATOM 497 CA HIS A 34 3.154 8.613 -1.944 1.00 1.00 C ATOM 498 C HIS A 34 3.387 9.845 -1.051 1.00 1.00 C ATOM 499 O HIS A 34 3.520 10.961 -1.548 1.00 1.00 O ATOM 500 CB HIS A 34 3.467 8.842 -3.430 1.00 1.00 C ATOM 501 CG HIS A 34 3.395 7.633 -4.334 1.00 1.00 C ATOM 502 ND1 HIS A 34 4.363 6.713 -4.383 1.00 1.00 N ATOM 503 CD2 HIS A 34 2.433 7.223 -5.226 1.00 1.00 C ATOM 504 CE1 HIS A 34 4.017 5.767 -5.270 1.00 1.00 C ATOM 505 NE2 HIS A 34 2.834 6.033 -5.820 1.00 1.00 N ATOM 0 H HIS A 34 1.159 8.502 -2.558 1.00 1.00 H new ATOM 0 HA HIS A 34 3.853 7.855 -1.590 1.00 1.00 H new ATOM 0 HB2 HIS A 34 2.775 9.593 -3.811 1.00 1.00 H new ATOM 0 HB3 HIS A 34 4.469 9.264 -3.505 1.00 1.00 H new ATOM 0 HD1 HIS A 34 5.224 6.727 -3.836 1.00 1.00 H new ATOM 0 HD2 HIS A 34 1.510 7.744 -5.433 1.00 1.00 H new ATOM 0 HE1 HIS A 34 4.620 4.903 -5.507 1.00 1.00 H new ATOM 513 N HIS A 35 3.431 9.600 0.259 1.00 1.00 N ATOM 514 CA HIS A 35 3.644 10.646 1.254 1.00 1.00 C ATOM 515 C HIS A 35 4.834 11.528 0.835 1.00 1.00 C ATOM 516 O HIS A 35 5.663 11.106 0.029 1.00 1.00 O ATOM 517 CB HIS A 35 3.797 9.993 2.636 1.00 1.00 C ATOM 518 CG HIS A 35 5.058 9.196 2.875 1.00 1.00 C ATOM 519 ND1 HIS A 35 5.248 7.870 3.185 1.00 1.00 N flip ATOM 520 CD2 HIS A 35 6.277 9.740 2.809 1.00 1.00 C flip ATOM 521 CE1 HIS A 35 6.609 7.617 3.306 1.00 1.00 C flip ATOM 522 NE2 HIS A 35 7.190 8.791 3.066 1.00 1.00 N flip ATOM 0 H HIS A 35 3.319 8.668 0.659 1.00 1.00 H new ATOM 0 HA HIS A 35 2.787 11.317 1.318 1.00 1.00 H new ATOM 0 HB2 HIS A 35 3.742 10.778 3.391 1.00 1.00 H new ATOM 0 HB3 HIS A 35 2.943 9.335 2.798 1.00 1.00 H new ATOM 0 HD1 HIS A 35 4.506 7.180 3.307 1.00 1.00 H new ATOM 0 HD2 HIS A 35 6.492 10.774 2.585 1.00 1.00 H new ATOM 0 HE1 HIS A 35 7.088 6.678 3.542 1.00 1.00 H new ATOM 530 N LEU A 36 4.878 12.726 1.400 1.00 1.00 N ATOM 531 CA LEU A 36 5.949 13.658 1.093 1.00 1.00 C ATOM 532 C LEU A 36 7.158 13.349 1.979 1.00 1.00 C ATOM 533 O LEU A 36 7.002 12.920 3.121 1.00 1.00 O ATOM 534 CB LEU A 36 5.454 15.101 1.212 1.00 1.00 C ATOM 535 CG LEU A 36 4.007 15.350 0.782 1.00 1.00 C ATOM 536 CD1 LEU A 36 3.144 15.766 1.976 1.00 1.00 C ATOM 537 CD2 LEU A 36 3.941 16.371 -0.356 1.00 1.00 C ATOM 0 H LEU A 36 4.189 13.072 2.068 1.00 1.00 H new ATOM 0 HA LEU A 36 6.272 13.539 0.059 1.00 1.00 H new ATOM 0 HB2 LEU A 36 5.564 15.418 2.249 1.00 1.00 H new ATOM 0 HB3 LEU A 36 6.105 15.738 0.614 1.00 1.00 H new ATOM 0 HG LEU A 36 3.599 14.415 0.400 1.00 1.00 H new ATOM 0 HD11 LEU A 36 2.120 15.937 1.643 1.00 1.00 H new ATOM 0 HD12 LEU A 36 3.154 14.975 2.726 1.00 1.00 H new ATOM 0 HD13 LEU A 36 3.542 16.683 2.411 1.00 1.00 H new ATOM 0 HD21 LEU A 36 2.901 16.530 -0.643 1.00 1.00 H new ATOM 0 HD22 LEU A 36 4.374 17.315 -0.024 1.00 1.00 H new ATOM 0 HD23 LEU A 36 4.501 15.997 -1.213 1.00 1.00 H new ATOM 549 N VAL A 37 8.337 13.579 1.418 1.00 1.00 N ATOM 550 CA VAL A 37 9.571 13.330 2.142 1.00 1.00 C ATOM 551 C VAL A 37 10.334 14.646 2.308 1.00 1.00 C ATOM 552 O VAL A 37 10.816 15.215 1.330 1.00 1.00 O ATOM 553 CB VAL A 37 10.388 12.251 1.428 1.00 1.00 C ATOM 554 CG1 VAL A 37 11.724 12.016 2.137 1.00 1.00 C ATOM 555 CG2 VAL A 37 9.594 10.949 1.311 1.00 1.00 C ATOM 0 H VAL A 37 8.463 13.935 0.470 1.00 1.00 H new ATOM 0 HA VAL A 37 9.358 12.949 3.141 1.00 1.00 H new ATOM 0 HB VAL A 37 10.601 12.605 0.419 1.00 1.00 H new ATOM 0 HG11 VAL A 37 12.285 11.245 1.609 1.00 1.00 H new ATOM 0 HG12 VAL A 37 12.299 12.942 2.145 1.00 1.00 H new ATOM 0 HG13 VAL A 37 11.540 11.694 3.162 1.00 1.00 H new ATOM 0 HG21 VAL A 37 10.198 10.199 0.800 1.00 1.00 H new ATOM 0 HG22 VAL A 37 9.336 10.589 2.307 1.00 1.00 H new ATOM 0 HG23 VAL A 37 8.682 11.129 0.743 1.00 1.00 H new ATOM 565 N ASP A 38 10.420 15.090 3.553 1.00 1.00 N ATOM 566 CA ASP A 38 11.116 16.328 3.860 1.00 1.00 C ATOM 567 C ASP A 38 10.542 17.457 3.001 1.00 1.00 C ATOM 568 O ASP A 38 11.285 18.296 2.495 1.00 1.00 O ATOM 569 CB ASP A 38 12.610 16.211 3.550 1.00 1.00 C ATOM 570 CG ASP A 38 13.537 16.847 4.588 1.00 1.00 C ATOM 571 OD1 ASP A 38 13.149 17.783 5.303 1.00 1.00 O ATOM 572 OD2 ASP A 38 14.720 16.335 4.648 1.00 1.00 O ATOM 0 H ASP A 38 10.019 14.614 4.361 1.00 1.00 H new ATOM 0 HA ASP A 38 10.983 16.536 4.922 1.00 1.00 H new ATOM 0 HB2 ASP A 38 12.865 15.155 3.456 1.00 1.00 H new ATOM 0 HB3 ASP A 38 12.802 16.673 2.582 1.00 1.00 H new ATOM 578 N GLY A 39 9.224 17.441 2.864 1.00 1.00 N ATOM 579 CA GLY A 39 8.542 18.453 2.076 1.00 1.00 C ATOM 580 C GLY A 39 9.100 18.508 0.652 1.00 1.00 C ATOM 581 O GLY A 39 9.243 19.587 0.079 1.00 1.00 O ATOM 0 H GLY A 39 8.611 16.743 3.285 1.00 1.00 H new ATOM 0 HA2 GLY A 39 7.474 18.235 2.044 1.00 1.00 H new ATOM 0 HA3 GLY A 39 8.655 19.427 2.552 1.00 1.00 H new ATOM 585 N LYS A 40 9.401 17.331 0.123 1.00 1.00 N ATOM 586 CA LYS A 40 9.940 17.231 -1.222 1.00 1.00 C ATOM 587 C LYS A 40 9.241 16.090 -1.964 1.00 1.00 C ATOM 588 O LYS A 40 9.568 14.921 -1.762 1.00 1.00 O ATOM 589 CB LYS A 40 11.464 17.095 -1.180 1.00 1.00 C ATOM 590 CG LYS A 40 12.041 16.953 -2.590 1.00 1.00 C ATOM 591 CD LYS A 40 13.555 17.170 -2.587 1.00 1.00 C ATOM 592 CE LYS A 40 13.922 18.485 -3.277 1.00 1.00 C ATOM 593 NZ LYS A 40 15.223 18.361 -3.972 1.00 1.00 N ATOM 0 H LYS A 40 9.282 16.438 0.602 1.00 1.00 H new ATOM 0 HA LYS A 40 9.740 18.145 -1.781 1.00 1.00 H new ATOM 0 HB2 LYS A 40 11.897 17.968 -0.692 1.00 1.00 H new ATOM 0 HB3 LYS A 40 11.739 16.226 -0.582 1.00 1.00 H new ATOM 0 HG2 LYS A 40 11.813 15.962 -2.982 1.00 1.00 H new ATOM 0 HG3 LYS A 40 11.568 17.675 -3.255 1.00 1.00 H new ATOM 0 HD2 LYS A 40 13.923 17.179 -1.561 1.00 1.00 H new ATOM 0 HD3 LYS A 40 14.046 16.340 -3.094 1.00 1.00 H new ATOM 0 HE2 LYS A 40 13.145 18.756 -3.992 1.00 1.00 H new ATOM 0 HE3 LYS A 40 13.971 19.287 -2.541 1.00 1.00 H new ATOM 0 HZ1 LYS A 40 15.457 19.263 -4.435 1.00 1.00 H new ATOM 0 HZ2 LYS A 40 15.964 18.124 -3.282 1.00 1.00 H new ATOM 0 HZ3 LYS A 40 15.164 17.609 -4.688 1.00 1.00 H new ATOM 606 N GLU A 41 8.292 16.469 -2.807 1.00 1.00 N ATOM 607 CA GLU A 41 7.544 15.492 -3.580 1.00 1.00 C ATOM 608 C GLU A 41 8.487 14.430 -4.148 1.00 1.00 C ATOM 609 O GLU A 41 9.450 14.756 -4.840 1.00 1.00 O ATOM 610 CB GLU A 41 6.746 16.170 -4.695 1.00 1.00 C ATOM 611 CG GLU A 41 5.455 16.784 -4.151 1.00 1.00 C ATOM 612 CD GLU A 41 4.811 17.711 -5.184 1.00 1.00 C ATOM 613 OE1 GLU A 41 4.215 17.233 -6.160 1.00 1.00 O ATOM 614 OE2 GLU A 41 4.945 18.972 -4.943 1.00 1.00 O ATOM 0 H GLU A 41 8.024 17.439 -2.972 1.00 1.00 H new ATOM 0 HA GLU A 41 6.833 15.000 -2.917 1.00 1.00 H new ATOM 0 HB2 GLU A 41 7.353 16.946 -5.161 1.00 1.00 H new ATOM 0 HB3 GLU A 41 6.508 15.442 -5.471 1.00 1.00 H new ATOM 0 HG2 GLU A 41 4.756 15.992 -3.882 1.00 1.00 H new ATOM 0 HG3 GLU A 41 5.669 17.342 -3.240 1.00 1.00 H new ATOM 622 N SER A 42 8.177 13.180 -3.834 1.00 1.00 N ATOM 623 CA SER A 42 8.985 12.068 -4.304 1.00 1.00 C ATOM 624 C SER A 42 8.083 10.906 -4.725 1.00 1.00 C ATOM 625 O SER A 42 6.936 10.783 -4.299 1.00 1.00 O ATOM 626 CB SER A 42 9.973 11.611 -3.229 1.00 1.00 C ATOM 627 OG SER A 42 10.821 10.564 -3.693 1.00 1.00 O ATOM 0 H SER A 42 7.377 12.913 -3.260 1.00 1.00 H new ATOM 0 HA SER A 42 9.560 12.404 -5.167 1.00 1.00 H new ATOM 0 HB2 SER A 42 10.582 12.458 -2.913 1.00 1.00 H new ATOM 0 HB3 SER A 42 9.423 11.270 -2.352 1.00 1.00 H new ATOM 0 HG SER A 42 11.438 10.302 -2.978 1.00 1.00 H new ATOM 633 N TYR A 43 8.634 10.045 -5.582 1.00 1.00 N ATOM 634 CA TYR A 43 7.910 8.892 -6.078 1.00 1.00 C ATOM 635 C TYR A 43 8.868 7.727 -6.279 1.00 1.00 C ATOM 636 O TYR A 43 8.936 7.198 -7.387 1.00 1.00 O ATOM 637 CB TYR A 43 7.216 9.254 -7.388 1.00 1.00 C ATOM 638 CG TYR A 43 6.165 10.328 -7.237 1.00 1.00 C ATOM 639 CD1 TYR A 43 6.547 11.671 -7.135 1.00 1.00 C ATOM 640 CD2 TYR A 43 4.809 9.981 -7.200 1.00 1.00 C ATOM 641 CE1 TYR A 43 5.572 12.667 -6.995 1.00 1.00 C ATOM 642 CE2 TYR A 43 3.835 10.977 -7.061 1.00 1.00 C ATOM 643 CZ TYR A 43 4.217 12.320 -6.958 1.00 1.00 C ATOM 644 OH TYR A 43 3.268 13.290 -6.822 1.00 1.00 O ATOM 0 H TYR A 43 9.584 10.132 -5.943 1.00 1.00 H new ATOM 0 HA TYR A 43 7.154 8.593 -5.352 1.00 1.00 H new ATOM 0 HB2 TYR A 43 7.965 9.588 -8.106 1.00 1.00 H new ATOM 0 HB3 TYR A 43 6.753 8.359 -7.804 1.00 1.00 H new ATOM 0 HD1 TYR A 43 7.593 11.939 -7.164 1.00 1.00 H new ATOM 0 HD2 TYR A 43 4.514 8.945 -7.279 1.00 1.00 H new ATOM 0 HE1 TYR A 43 5.866 13.703 -6.916 1.00 1.00 H new ATOM 0 HE2 TYR A 43 2.789 10.709 -7.033 1.00 1.00 H new ATOM 0 HH TYR A 43 2.378 12.879 -6.816 1.00 1.00 H new ATOM 654 N ALA A 44 9.579 7.355 -5.225 1.00 1.00 N ATOM 655 CA ALA A 44 10.523 6.254 -5.310 1.00 1.00 C ATOM 656 C ALA A 44 9.843 4.967 -4.837 1.00 1.00 C ATOM 657 O ALA A 44 9.045 4.991 -3.901 1.00 1.00 O ATOM 658 CB ALA A 44 11.772 6.588 -4.492 1.00 1.00 C ATOM 0 H ALA A 44 9.520 7.797 -4.307 1.00 1.00 H new ATOM 0 HA ALA A 44 10.840 6.099 -6.341 1.00 1.00 H new ATOM 0 HB1 ALA A 44 12.480 5.762 -4.556 1.00 1.00 H new ATOM 0 HB2 ALA A 44 12.234 7.493 -4.886 1.00 1.00 H new ATOM 0 HB3 ALA A 44 11.493 6.747 -3.450 1.00 1.00 H new ATOM 664 N LYS A 45 10.183 3.875 -5.505 1.00 1.00 N ATOM 665 CA LYS A 45 9.616 2.582 -5.165 1.00 1.00 C ATOM 666 C LYS A 45 9.601 2.421 -3.643 1.00 1.00 C ATOM 667 O LYS A 45 10.495 2.911 -2.955 1.00 1.00 O ATOM 668 CB LYS A 45 10.359 1.462 -5.895 1.00 1.00 C ATOM 669 CG LYS A 45 9.454 0.244 -6.098 1.00 1.00 C ATOM 670 CD LYS A 45 10.108 -1.023 -5.545 1.00 1.00 C ATOM 671 CE LYS A 45 9.882 -2.210 -6.484 1.00 1.00 C ATOM 672 NZ LYS A 45 10.604 -3.405 -5.991 1.00 1.00 N ATOM 0 H LYS A 45 10.845 3.859 -6.281 1.00 1.00 H new ATOM 0 HA LYS A 45 8.582 2.519 -5.503 1.00 1.00 H new ATOM 0 HB2 LYS A 45 10.710 1.824 -6.861 1.00 1.00 H new ATOM 0 HB3 LYS A 45 11.241 1.173 -5.323 1.00 1.00 H new ATOM 0 HG2 LYS A 45 8.498 0.410 -5.602 1.00 1.00 H new ATOM 0 HG3 LYS A 45 9.244 0.115 -7.160 1.00 1.00 H new ATOM 0 HD2 LYS A 45 11.177 -0.857 -5.413 1.00 1.00 H new ATOM 0 HD3 LYS A 45 9.697 -1.249 -4.561 1.00 1.00 H new ATOM 0 HE2 LYS A 45 8.816 -2.426 -6.557 1.00 1.00 H new ATOM 0 HE3 LYS A 45 10.226 -1.958 -7.487 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 10.440 -4.202 -6.639 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 11.623 -3.200 -5.944 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 10.257 -3.654 -5.043 1.00 1.00 H new ATOM 685 N CYS A 46 8.577 1.731 -3.163 1.00 1.00 N ATOM 686 CA CYS A 46 8.434 1.499 -1.736 1.00 1.00 C ATOM 687 C CYS A 46 9.785 1.037 -1.187 1.00 1.00 C ATOM 688 O CYS A 46 10.128 1.332 -0.043 1.00 1.00 O ATOM 689 CB CYS A 46 7.321 0.493 -1.435 1.00 1.00 C ATOM 690 SG CYS A 46 5.878 1.186 -0.549 1.00 1.00 S ATOM 0 H CYS A 46 7.838 1.325 -3.737 1.00 1.00 H new ATOM 0 HA CYS A 46 8.140 2.425 -1.242 1.00 1.00 H new ATOM 0 HB2 CYS A 46 6.979 0.060 -2.375 1.00 1.00 H new ATOM 0 HB3 CYS A 46 7.737 -0.321 -0.841 1.00 1.00 H new ATOM 0 HG CYS A 46 5.000 0.248 -0.350 1.00 1.00 H new ATOM 695 N GLY A 47 10.516 0.320 -2.028 1.00 1.00 N ATOM 696 CA GLY A 47 11.822 -0.186 -1.642 1.00 1.00 C ATOM 697 C GLY A 47 12.940 0.612 -2.316 1.00 1.00 C ATOM 698 O GLY A 47 13.726 0.059 -3.083 1.00 1.00 O ATOM 0 H GLY A 47 10.228 0.077 -2.976 1.00 1.00 H new ATOM 0 HA2 GLY A 47 11.932 -0.130 -0.559 1.00 1.00 H new ATOM 0 HA3 GLY A 47 11.904 -1.238 -1.917 1.00 1.00 H new ATOM 702 N SER A 48 12.976 1.899 -2.004 1.00 1.00 N ATOM 703 CA SER A 48 13.985 2.778 -2.569 1.00 1.00 C ATOM 704 C SER A 48 15.107 3.007 -1.555 1.00 1.00 C ATOM 705 O SER A 48 14.966 2.671 -0.381 1.00 1.00 O ATOM 706 CB SER A 48 13.374 4.115 -2.996 1.00 1.00 C ATOM 707 OG SER A 48 14.371 5.062 -3.368 1.00 1.00 O ATOM 0 H SER A 48 12.322 2.354 -1.367 1.00 1.00 H new ATOM 0 HA SER A 48 14.398 2.298 -3.456 1.00 1.00 H new ATOM 0 HB2 SER A 48 12.697 3.953 -3.835 1.00 1.00 H new ATOM 0 HB3 SER A 48 12.777 4.519 -2.178 1.00 1.00 H new ATOM 0 HG SER A 48 14.122 5.948 -3.032 1.00 1.00 H new ATOM 713 N SER A 49 16.197 3.579 -2.046 1.00 1.00 N ATOM 714 CA SER A 49 17.343 3.857 -1.197 1.00 1.00 C ATOM 715 C SER A 49 16.926 4.758 -0.033 1.00 1.00 C ATOM 716 O SER A 49 16.175 5.714 -0.222 1.00 1.00 O ATOM 717 CB SER A 49 18.474 4.510 -1.995 1.00 1.00 C ATOM 718 OG SER A 49 19.144 3.574 -2.835 1.00 1.00 O ATOM 0 H SER A 49 16.311 3.857 -3.021 1.00 1.00 H new ATOM 0 HA SER A 49 17.713 2.911 -0.801 1.00 1.00 H new ATOM 0 HB2 SER A 49 18.068 5.318 -2.604 1.00 1.00 H new ATOM 0 HB3 SER A 49 19.191 4.958 -1.307 1.00 1.00 H new ATOM 0 HG SER A 49 19.857 4.030 -3.329 1.00 1.00 H new ATOM 724 N GLY A 50 17.431 4.421 1.145 1.00 1.00 N ATOM 725 CA GLY A 50 17.120 5.188 2.339 1.00 1.00 C ATOM 726 C GLY A 50 15.608 5.279 2.554 1.00 1.00 C ATOM 727 O GLY A 50 15.081 6.355 2.833 1.00 1.00 O ATOM 0 H GLY A 50 18.053 3.627 1.298 1.00 1.00 H new ATOM 0 HA2 GLY A 50 17.587 4.722 3.207 1.00 1.00 H new ATOM 0 HA3 GLY A 50 17.539 6.190 2.251 1.00 1.00 H new ATOM 731 N CYS A 51 14.953 4.136 2.415 1.00 1.00 N ATOM 732 CA CYS A 51 13.512 4.073 2.590 1.00 1.00 C ATOM 733 C CYS A 51 13.162 2.723 3.219 1.00 1.00 C ATOM 734 O CYS A 51 13.897 2.211 4.061 1.00 1.00 O ATOM 735 CB CYS A 51 12.771 4.297 1.270 1.00 1.00 C ATOM 736 SG CYS A 51 13.453 5.762 0.410 1.00 1.00 S ATOM 0 H CYS A 51 15.394 3.246 2.183 1.00 1.00 H new ATOM 0 HA CYS A 51 13.189 4.876 3.253 1.00 1.00 H new ATOM 0 HB2 CYS A 51 12.866 3.416 0.636 1.00 1.00 H new ATOM 0 HB3 CYS A 51 11.707 4.439 1.460 1.00 1.00 H new ATOM 0 HG CYS A 51 14.617 5.470 -0.088 1.00 1.00 H new ATOM 741 N HIS A 52 12.028 2.175 2.782 1.00 1.00 N ATOM 742 CA HIS A 52 11.531 0.891 3.265 1.00 1.00 C ATOM 743 C HIS A 52 12.077 -0.244 2.380 1.00 1.00 C ATOM 744 O HIS A 52 11.381 -0.716 1.481 1.00 1.00 O ATOM 745 CB HIS A 52 9.999 0.949 3.346 1.00 1.00 C ATOM 746 CG HIS A 52 9.393 2.238 3.852 1.00 1.00 C ATOM 747 ND1 HIS A 52 9.373 2.563 5.148 1.00 1.00 N ATOM 748 CD2 HIS A 52 8.785 3.276 3.188 1.00 1.00 C ATOM 749 CE1 HIS A 52 8.774 3.757 5.287 1.00 1.00 C ATOM 750 NE2 HIS A 52 8.392 4.242 4.107 1.00 1.00 N ATOM 0 H HIS A 52 11.429 2.612 2.082 1.00 1.00 H new ATOM 0 HA HIS A 52 11.888 0.678 4.272 1.00 1.00 H new ATOM 0 HB2 HIS A 52 9.598 0.752 2.352 1.00 1.00 H new ATOM 0 HB3 HIS A 52 9.662 0.138 3.992 1.00 1.00 H new ATOM 0 HD1 HIS A 52 9.751 1.997 5.908 1.00 1.00 H new ATOM 0 HD2 HIS A 52 8.636 3.332 2.120 1.00 1.00 H new ATOM 0 HE1 HIS A 52 8.622 4.258 6.232 1.00 1.00 H new ATOM 758 N ASP A 53 13.307 -0.645 2.665 1.00 1.00 N ATOM 759 CA ASP A 53 13.941 -1.710 1.908 1.00 1.00 C ATOM 760 C ASP A 53 14.647 -2.666 2.872 1.00 1.00 C ATOM 761 O ASP A 53 15.803 -3.028 2.659 1.00 1.00 O ATOM 762 CB ASP A 53 14.991 -1.151 0.945 1.00 1.00 C ATOM 763 CG ASP A 53 15.107 -1.895 -0.387 1.00 1.00 C ATOM 764 OD1 ASP A 53 14.276 -2.755 -0.714 1.00 1.00 O ATOM 765 OD2 ASP A 53 16.118 -1.556 -1.114 1.00 1.00 O ATOM 0 H ASP A 53 13.881 -0.251 3.410 1.00 1.00 H new ATOM 0 HA ASP A 53 13.167 -2.226 1.340 1.00 1.00 H new ATOM 0 HB2 ASP A 53 14.756 -0.106 0.741 1.00 1.00 H new ATOM 0 HB3 ASP A 53 15.962 -1.169 1.440 1.00 1.00 H new ATOM 771 N ASP A 54 13.921 -3.048 3.913 1.00 1.00 N ATOM 772 CA ASP A 54 14.463 -3.954 4.911 1.00 1.00 C ATOM 773 C ASP A 54 13.318 -4.733 5.561 1.00 1.00 C ATOM 774 O ASP A 54 12.694 -4.254 6.507 1.00 1.00 O ATOM 775 CB ASP A 54 15.197 -3.187 6.012 1.00 1.00 C ATOM 776 CG ASP A 54 16.659 -3.590 6.217 1.00 1.00 C ATOM 777 OD1 ASP A 54 16.956 -4.612 6.854 1.00 1.00 O ATOM 778 OD2 ASP A 54 17.524 -2.795 5.684 1.00 1.00 O ATOM 0 H ASP A 54 12.962 -2.746 4.087 1.00 1.00 H new ATOM 0 HA ASP A 54 15.162 -4.625 4.412 1.00 1.00 H new ATOM 0 HB2 ASP A 54 15.158 -2.123 5.780 1.00 1.00 H new ATOM 0 HB3 ASP A 54 14.662 -3.328 6.951 1.00 1.00 H new ATOM 784 N LEU A 55 13.075 -5.922 5.028 1.00 1.00 N ATOM 785 CA LEU A 55 12.016 -6.772 5.544 1.00 1.00 C ATOM 786 C LEU A 55 12.605 -7.754 6.560 1.00 1.00 C ATOM 787 O LEU A 55 11.987 -8.768 6.878 1.00 1.00 O ATOM 788 CB LEU A 55 11.266 -7.451 4.397 1.00 1.00 C ATOM 789 CG LEU A 55 10.205 -6.601 3.694 1.00 1.00 C ATOM 790 CD1 LEU A 55 9.839 -7.197 2.333 1.00 1.00 C ATOM 791 CD2 LEU A 55 8.977 -6.410 4.585 1.00 1.00 C ATOM 0 H LEU A 55 13.594 -6.317 4.244 1.00 1.00 H new ATOM 0 HA LEU A 55 11.272 -6.175 6.071 1.00 1.00 H new ATOM 0 HB2 LEU A 55 11.995 -7.775 3.654 1.00 1.00 H new ATOM 0 HB3 LEU A 55 10.785 -8.349 4.785 1.00 1.00 H new ATOM 0 HG LEU A 55 10.626 -5.612 3.510 1.00 1.00 H new ATOM 0 HD11 LEU A 55 9.083 -6.574 1.854 1.00 1.00 H new ATOM 0 HD12 LEU A 55 10.728 -7.238 1.703 1.00 1.00 H new ATOM 0 HD13 LEU A 55 9.445 -8.204 2.471 1.00 1.00 H new ATOM 0 HD21 LEU A 55 8.239 -5.803 4.062 1.00 1.00 H new ATOM 0 HD22 LEU A 55 8.545 -7.382 4.822 1.00 1.00 H new ATOM 0 HD23 LEU A 55 9.271 -5.909 5.507 1.00 1.00 H new ATOM 803 N THR A 56 13.794 -7.417 7.039 1.00 1.00 N ATOM 804 CA THR A 56 14.473 -8.256 8.012 1.00 1.00 C ATOM 805 C THR A 56 14.283 -7.697 9.423 1.00 1.00 C ATOM 806 O THR A 56 14.670 -8.332 10.403 1.00 1.00 O ATOM 807 CB THR A 56 15.941 -8.369 7.595 1.00 1.00 C ATOM 808 OG1 THR A 56 16.254 -9.745 7.796 1.00 1.00 O ATOM 809 CG2 THR A 56 16.879 -7.630 8.551 1.00 1.00 C ATOM 0 H THR A 56 14.304 -6.575 6.772 1.00 1.00 H new ATOM 0 HA THR A 56 14.048 -9.260 8.035 1.00 1.00 H new ATOM 0 HB THR A 56 16.064 -7.973 6.587 1.00 1.00 H new ATOM 0 HG1 THR A 56 17.188 -9.908 7.548 1.00 1.00 H new ATOM 0 HG21 THR A 56 17.908 -7.742 8.210 1.00 1.00 H new ATOM 0 HG22 THR A 56 16.617 -6.572 8.573 1.00 1.00 H new ATOM 0 HG23 THR A 56 16.781 -8.049 9.553 1.00 1.00 H new ATOM 817 N ALA A 57 13.689 -6.515 9.482 1.00 1.00 N ATOM 818 CA ALA A 57 13.443 -5.863 10.757 1.00 1.00 C ATOM 819 C ALA A 57 12.119 -6.366 11.336 1.00 1.00 C ATOM 820 O ALA A 57 12.068 -6.818 12.479 1.00 1.00 O ATOM 821 CB ALA A 57 13.456 -4.345 10.566 1.00 1.00 C ATOM 0 H ALA A 57 13.370 -5.991 8.667 1.00 1.00 H new ATOM 0 HA ALA A 57 14.229 -6.109 11.471 1.00 1.00 H new ATOM 0 HB1 ALA A 57 13.271 -3.856 11.523 1.00 1.00 H new ATOM 0 HB2 ALA A 57 14.428 -4.035 10.182 1.00 1.00 H new ATOM 0 HB3 ALA A 57 12.678 -4.061 9.857 1.00 1.00 H new ATOM 827 N LYS A 58 11.079 -6.271 10.520 1.00 1.00 N ATOM 828 CA LYS A 58 9.759 -6.711 10.936 1.00 1.00 C ATOM 829 C LYS A 58 9.014 -5.538 11.578 1.00 1.00 C ATOM 830 O LYS A 58 7.806 -5.393 11.399 1.00 1.00 O ATOM 831 CB LYS A 58 9.863 -7.941 11.839 1.00 1.00 C ATOM 832 CG LYS A 58 8.637 -8.843 11.683 1.00 1.00 C ATOM 833 CD LYS A 58 7.561 -8.488 12.711 1.00 1.00 C ATOM 834 CE LYS A 58 6.496 -9.584 12.791 1.00 1.00 C ATOM 835 NZ LYS A 58 5.348 -9.255 11.916 1.00 1.00 N ATOM 0 H LYS A 58 11.124 -5.896 9.573 1.00 1.00 H new ATOM 0 HA LYS A 58 9.174 -7.027 10.073 1.00 1.00 H new ATOM 0 HB2 LYS A 58 10.765 -8.502 11.593 1.00 1.00 H new ATOM 0 HB3 LYS A 58 9.957 -7.626 12.878 1.00 1.00 H new ATOM 0 HG2 LYS A 58 8.231 -8.741 10.676 1.00 1.00 H new ATOM 0 HG3 LYS A 58 8.930 -9.886 11.804 1.00 1.00 H new ATOM 0 HD2 LYS A 58 8.020 -8.350 13.690 1.00 1.00 H new ATOM 0 HD3 LYS A 58 7.094 -7.541 12.441 1.00 1.00 H new ATOM 0 HE2 LYS A 58 6.926 -10.540 12.493 1.00 1.00 H new ATOM 0 HE3 LYS A 58 6.156 -9.695 13.821 1.00 1.00 H new ATOM 0 HZ1 LYS A 58 4.461 -9.399 12.439 1.00 1.00 H new ATOM 0 HZ2 LYS A 58 5.415 -8.262 11.614 1.00 1.00 H new ATOM 0 HZ3 LYS A 58 5.361 -9.873 11.080 1.00 1.00 H new ATOM 848 N LYS A 59 9.766 -4.732 12.312 1.00 1.00 N ATOM 849 CA LYS A 59 9.193 -3.577 12.981 1.00 1.00 C ATOM 850 C LYS A 59 10.195 -2.421 12.944 1.00 1.00 C ATOM 851 O LYS A 59 11.358 -2.592 13.306 1.00 1.00 O ATOM 852 CB LYS A 59 8.734 -3.948 14.393 1.00 1.00 C ATOM 853 CG LYS A 59 7.358 -4.616 14.365 1.00 1.00 C ATOM 854 CD LYS A 59 6.341 -3.810 15.175 1.00 1.00 C ATOM 855 CE LYS A 59 5.998 -4.520 16.486 1.00 1.00 C ATOM 856 NZ LYS A 59 7.093 -4.353 17.468 1.00 1.00 N ATOM 0 H LYS A 59 10.768 -4.856 12.458 1.00 1.00 H new ATOM 0 HA LYS A 59 8.298 -3.240 12.458 1.00 1.00 H new ATOM 0 HB2 LYS A 59 9.460 -4.621 14.850 1.00 1.00 H new ATOM 0 HB3 LYS A 59 8.695 -3.053 15.013 1.00 1.00 H new ATOM 0 HG2 LYS A 59 7.016 -4.709 13.334 1.00 1.00 H new ATOM 0 HG3 LYS A 59 7.432 -5.626 14.769 1.00 1.00 H new ATOM 0 HD2 LYS A 59 6.743 -2.820 15.388 1.00 1.00 H new ATOM 0 HD3 LYS A 59 5.434 -3.666 14.587 1.00 1.00 H new ATOM 0 HE2 LYS A 59 5.071 -4.116 16.894 1.00 1.00 H new ATOM 0 HE3 LYS A 59 5.828 -5.580 16.299 1.00 1.00 H new ATOM 0 HZ1 LYS A 59 6.844 -4.841 18.352 1.00 1.00 H new ATOM 0 HZ2 LYS A 59 7.969 -4.760 17.083 1.00 1.00 H new ATOM 0 HZ3 LYS A 59 7.236 -3.341 17.660 1.00 1.00 H new ATOM 869 N GLY A 60 9.707 -1.271 12.504 1.00 1.00 N ATOM 870 CA GLY A 60 10.546 -0.088 12.415 1.00 1.00 C ATOM 871 C GLY A 60 10.206 0.732 11.168 1.00 1.00 C ATOM 872 O GLY A 60 9.340 0.347 10.384 1.00 1.00 O ATOM 0 H GLY A 60 8.742 -1.133 12.205 1.00 1.00 H new ATOM 0 HA2 GLY A 60 10.412 0.525 13.306 1.00 1.00 H new ATOM 0 HA3 GLY A 60 11.595 -0.383 12.386 1.00 1.00 H new ATOM 876 N GLU A 61 10.906 1.848 11.025 1.00 1.00 N ATOM 877 CA GLU A 61 10.690 2.726 9.887 1.00 1.00 C ATOM 878 C GLU A 61 11.534 2.268 8.696 1.00 1.00 C ATOM 879 O GLU A 61 11.728 3.021 7.742 1.00 1.00 O ATOM 880 CB GLU A 61 10.997 4.180 10.250 1.00 1.00 C ATOM 881 CG GLU A 61 12.267 4.277 11.098 1.00 1.00 C ATOM 882 CD GLU A 61 13.039 5.560 10.784 1.00 1.00 C ATOM 883 OE1 GLU A 61 12.734 6.621 11.348 1.00 1.00 O ATOM 884 OE2 GLU A 61 13.987 5.427 9.920 1.00 1.00 O ATOM 0 H GLU A 61 11.623 2.164 11.678 1.00 1.00 H new ATOM 0 HA GLU A 61 9.639 2.671 9.605 1.00 1.00 H new ATOM 0 HB2 GLU A 61 11.117 4.768 9.340 1.00 1.00 H new ATOM 0 HB3 GLU A 61 10.157 4.607 10.797 1.00 1.00 H new ATOM 0 HG2 GLU A 61 12.005 4.256 12.156 1.00 1.00 H new ATOM 0 HG3 GLU A 61 12.902 3.411 10.909 1.00 1.00 H new ATOM 892 N LYS A 62 12.014 1.037 8.789 1.00 1.00 N ATOM 893 CA LYS A 62 12.833 0.470 7.731 1.00 1.00 C ATOM 894 C LYS A 62 12.269 -0.895 7.331 1.00 1.00 C ATOM 895 O LYS A 62 13.022 -1.810 7.003 1.00 1.00 O ATOM 896 CB LYS A 62 14.302 0.428 8.155 1.00 1.00 C ATOM 897 CG LYS A 62 14.813 1.828 8.504 1.00 1.00 C ATOM 898 CD LYS A 62 15.935 2.254 7.555 1.00 1.00 C ATOM 899 CE LYS A 62 16.581 3.560 8.022 1.00 1.00 C ATOM 900 NZ LYS A 62 16.968 4.391 6.860 1.00 1.00 N ATOM 0 H LYS A 62 11.851 0.416 9.581 1.00 1.00 H new ATOM 0 HA LYS A 62 12.799 1.102 6.843 1.00 1.00 H new ATOM 0 HB2 LYS A 62 14.417 -0.230 9.016 1.00 1.00 H new ATOM 0 HB3 LYS A 62 14.905 0.007 7.350 1.00 1.00 H new ATOM 0 HG2 LYS A 62 13.992 2.543 8.447 1.00 1.00 H new ATOM 0 HG3 LYS A 62 15.176 1.841 9.532 1.00 1.00 H new ATOM 0 HD2 LYS A 62 16.690 1.469 7.503 1.00 1.00 H new ATOM 0 HD3 LYS A 62 15.536 2.381 6.548 1.00 1.00 H new ATOM 0 HE2 LYS A 62 15.885 4.111 8.655 1.00 1.00 H new ATOM 0 HE3 LYS A 62 17.460 3.341 8.629 1.00 1.00 H new ATOM 0 HZ1 LYS A 62 17.405 5.274 7.194 1.00 1.00 H new ATOM 0 HZ2 LYS A 62 17.648 3.869 6.271 1.00 1.00 H new ATOM 0 HZ3 LYS A 62 16.123 4.615 6.297 1.00 1.00 H new ATOM 913 N SER A 63 10.947 -0.988 7.372 1.00 1.00 N ATOM 914 CA SER A 63 10.274 -2.226 7.017 1.00 1.00 C ATOM 915 C SER A 63 9.102 -1.934 6.078 1.00 1.00 C ATOM 916 O SER A 63 8.482 -0.874 6.164 1.00 1.00 O ATOM 917 CB SER A 63 9.783 -2.963 8.265 1.00 1.00 C ATOM 918 OG SER A 63 9.666 -4.365 8.046 1.00 1.00 O ATOM 0 H SER A 63 10.325 -0.227 7.645 1.00 1.00 H new ATOM 0 HA SER A 63 10.990 -2.870 6.505 1.00 1.00 H new ATOM 0 HB2 SER A 63 10.474 -2.781 9.088 1.00 1.00 H new ATOM 0 HB3 SER A 63 8.815 -2.561 8.566 1.00 1.00 H new ATOM 0 HG SER A 63 9.352 -4.799 8.866 1.00 1.00 H new ATOM 924 N LEU A 64 8.833 -2.891 5.203 1.00 1.00 N ATOM 925 CA LEU A 64 7.747 -2.750 4.249 1.00 1.00 C ATOM 926 C LEU A 64 6.590 -3.664 4.660 1.00 1.00 C ATOM 927 O LEU A 64 5.942 -4.306 3.837 1.00 1.00 O ATOM 928 CB LEU A 64 8.249 -2.996 2.825 1.00 1.00 C ATOM 929 CG LEU A 64 7.234 -2.757 1.705 1.00 1.00 C ATOM 930 CD1 LEU A 64 6.822 -1.285 1.643 1.00 1.00 C ATOM 931 CD2 LEU A 64 7.770 -3.259 0.363 1.00 1.00 C ATOM 0 H LEU A 64 9.349 -3.768 5.135 1.00 1.00 H new ATOM 0 HA LEU A 64 7.365 -1.729 4.256 1.00 1.00 H new ATOM 0 HB2 LEU A 64 9.112 -2.354 2.649 1.00 1.00 H new ATOM 0 HB3 LEU A 64 8.599 -4.026 2.757 1.00 1.00 H new ATOM 0 HG LEU A 64 6.336 -3.333 1.929 1.00 1.00 H new ATOM 0 HD11 LEU A 64 6.100 -1.143 0.839 1.00 1.00 H new ATOM 0 HD12 LEU A 64 6.371 -0.993 2.591 1.00 1.00 H new ATOM 0 HD13 LEU A 64 7.701 -0.669 1.455 1.00 1.00 H new ATOM 0 HD21 LEU A 64 7.029 -3.077 -0.416 1.00 1.00 H new ATOM 0 HD22 LEU A 64 8.691 -2.730 0.118 1.00 1.00 H new ATOM 0 HD23 LEU A 64 7.972 -4.328 0.429 1.00 1.00 H new ATOM 943 N TYR A 65 6.345 -3.708 5.971 1.00 1.00 N ATOM 944 CA TYR A 65 5.284 -4.528 6.522 1.00 1.00 C ATOM 945 C TYR A 65 4.460 -3.712 7.507 1.00 1.00 C ATOM 946 O TYR A 65 3.247 -3.888 7.602 1.00 1.00 O ATOM 947 CB TYR A 65 5.891 -5.750 7.205 1.00 1.00 C ATOM 948 CG TYR A 65 5.013 -6.333 8.287 1.00 1.00 C ATOM 949 CD1 TYR A 65 4.031 -7.275 7.959 1.00 1.00 C ATOM 950 CD2 TYR A 65 5.181 -5.930 9.617 1.00 1.00 C ATOM 951 CE1 TYR A 65 3.217 -7.815 8.962 1.00 1.00 C ATOM 952 CE2 TYR A 65 4.367 -6.470 10.620 1.00 1.00 C ATOM 953 CZ TYR A 65 3.385 -7.413 10.293 1.00 1.00 C ATOM 954 OH TYR A 65 2.592 -7.939 11.270 1.00 1.00 O ATOM 0 H TYR A 65 6.873 -3.181 6.666 1.00 1.00 H new ATOM 0 HA TYR A 65 4.625 -4.865 5.721 1.00 1.00 H new ATOM 0 HB2 TYR A 65 6.087 -6.516 6.455 1.00 1.00 H new ATOM 0 HB3 TYR A 65 6.853 -5.474 7.638 1.00 1.00 H new ATOM 0 HD1 TYR A 65 3.901 -7.585 6.933 1.00 1.00 H new ATOM 0 HD2 TYR A 65 5.938 -5.203 9.869 1.00 1.00 H new ATOM 0 HE1 TYR A 65 2.459 -8.542 8.709 1.00 1.00 H new ATOM 0 HE2 TYR A 65 4.497 -6.159 11.646 1.00 1.00 H new ATOM 0 HH TYR A 65 2.841 -7.554 12.136 1.00 1.00 H new ATOM 964 N TYR A 66 5.122 -2.816 8.242 1.00 1.00 N ATOM 965 CA TYR A 66 4.449 -1.980 9.216 1.00 1.00 C ATOM 966 C TYR A 66 3.916 -0.725 8.539 1.00 1.00 C ATOM 967 O TYR A 66 3.286 0.091 9.210 1.00 1.00 O ATOM 968 CB TYR A 66 5.422 -1.619 10.334 1.00 1.00 C ATOM 969 CG TYR A 66 4.808 -0.760 11.413 1.00 1.00 C ATOM 970 CD1 TYR A 66 3.998 -1.342 12.396 1.00 1.00 C ATOM 971 CD2 TYR A 66 5.049 0.619 11.432 1.00 1.00 C ATOM 972 CE1 TYR A 66 3.430 -0.545 13.397 1.00 1.00 C ATOM 973 CE2 TYR A 66 4.480 1.416 12.433 1.00 1.00 C ATOM 974 CZ TYR A 66 3.671 0.834 13.415 1.00 1.00 C ATOM 975 OH TYR A 66 3.117 1.610 14.391 1.00 1.00 O ATOM 0 H TYR A 66 6.127 -2.657 8.174 1.00 1.00 H new ATOM 0 HA TYR A 66 3.607 -2.522 9.646 1.00 1.00 H new ATOM 0 HB2 TYR A 66 5.803 -2.536 10.784 1.00 1.00 H new ATOM 0 HB3 TYR A 66 6.277 -1.095 9.906 1.00 1.00 H new ATOM 0 HD1 TYR A 66 3.812 -2.406 12.382 1.00 1.00 H new ATOM 0 HD2 TYR A 66 5.674 1.068 10.674 1.00 1.00 H new ATOM 0 HE1 TYR A 66 2.806 -0.994 14.155 1.00 1.00 H new ATOM 0 HE2 TYR A 66 4.666 2.480 12.447 1.00 1.00 H new ATOM 0 HH TYR A 66 3.385 2.543 14.258 1.00 1.00 H new ATOM 985 N VAL A 67 4.172 -0.594 7.246 1.00 1.00 N ATOM 986 CA VAL A 67 3.709 0.566 6.504 1.00 1.00 C ATOM 987 C VAL A 67 2.773 0.110 5.383 1.00 1.00 C ATOM 988 O VAL A 67 2.306 0.925 4.589 1.00 1.00 O ATOM 989 CB VAL A 67 4.905 1.373 5.993 1.00 1.00 C ATOM 990 CG1 VAL A 67 5.882 1.683 7.129 1.00 1.00 C ATOM 991 CG2 VAL A 67 5.609 0.643 4.848 1.00 1.00 C ATOM 0 H VAL A 67 4.695 -1.273 6.693 1.00 1.00 H new ATOM 0 HA VAL A 67 3.139 1.231 7.153 1.00 1.00 H new ATOM 0 HB VAL A 67 4.530 2.320 5.606 1.00 1.00 H new ATOM 0 HG11 VAL A 67 6.723 2.257 6.739 1.00 1.00 H new ATOM 0 HG12 VAL A 67 5.373 2.262 7.899 1.00 1.00 H new ATOM 0 HG13 VAL A 67 6.248 0.751 7.559 1.00 1.00 H new ATOM 0 HG21 VAL A 67 6.455 1.238 4.503 1.00 1.00 H new ATOM 0 HG22 VAL A 67 5.965 -0.326 5.199 1.00 1.00 H new ATOM 0 HG23 VAL A 67 4.909 0.496 4.025 1.00 1.00 H new ATOM 1001 N VAL A 68 2.526 -1.192 5.355 1.00 1.00 N ATOM 1002 CA VAL A 68 1.654 -1.766 4.345 1.00 1.00 C ATOM 1003 C VAL A 68 0.295 -2.085 4.972 1.00 1.00 C ATOM 1004 O VAL A 68 -0.750 -1.794 4.392 1.00 1.00 O ATOM 1005 CB VAL A 68 2.321 -2.989 3.712 1.00 1.00 C ATOM 1006 CG1 VAL A 68 1.275 -3.990 3.218 1.00 1.00 C ATOM 1007 CG2 VAL A 68 3.262 -2.575 2.578 1.00 1.00 C ATOM 0 H VAL A 68 2.915 -1.865 6.016 1.00 1.00 H new ATOM 0 HA VAL A 68 1.481 -1.052 3.539 1.00 1.00 H new ATOM 0 HB VAL A 68 2.918 -3.480 4.481 1.00 1.00 H new ATOM 0 HG11 VAL A 68 1.776 -4.850 2.773 1.00 1.00 H new ATOM 0 HG12 VAL A 68 0.663 -4.321 4.057 1.00 1.00 H new ATOM 0 HG13 VAL A 68 0.639 -3.514 2.472 1.00 1.00 H new ATOM 0 HG21 VAL A 68 3.723 -3.463 2.145 1.00 1.00 H new ATOM 0 HG22 VAL A 68 2.696 -2.049 1.809 1.00 1.00 H new ATOM 0 HG23 VAL A 68 4.038 -1.918 2.971 1.00 1.00 H new ATOM 1017 N HIS A 69 0.349 -2.684 6.161 1.00 1.00 N ATOM 1018 CA HIS A 69 -0.842 -3.065 6.912 1.00 1.00 C ATOM 1019 C HIS A 69 -1.161 -1.987 7.964 1.00 1.00 C ATOM 1020 O HIS A 69 -2.016 -1.133 7.736 1.00 1.00 O ATOM 1021 CB HIS A 69 -0.637 -4.472 7.491 1.00 1.00 C ATOM 1022 CG HIS A 69 -0.159 -5.538 6.532 1.00 1.00 C ATOM 1023 ND1 HIS A 69 1.136 -5.751 6.279 1.00 1.00 N ATOM 1024 CD2 HIS A 69 -0.852 -6.449 5.770 1.00 1.00 C ATOM 1025 CE1 HIS A 69 1.246 -6.754 5.394 1.00 1.00 C ATOM 1026 NE2 HIS A 69 0.048 -7.221 5.046 1.00 1.00 N ATOM 0 H HIS A 69 1.224 -2.919 6.630 1.00 1.00 H new ATOM 0 HA HIS A 69 -1.719 -3.118 6.268 1.00 1.00 H new ATOM 0 HB2 HIS A 69 0.081 -4.402 8.308 1.00 1.00 H new ATOM 0 HB3 HIS A 69 -1.581 -4.803 7.924 1.00 1.00 H new ATOM 0 HD1 HIS A 69 1.914 -5.235 6.691 1.00 1.00 H new ATOM 0 HD2 HIS A 69 -1.927 -6.549 5.739 1.00 1.00 H new ATOM 0 HE1 HIS A 69 2.183 -7.133 5.014 1.00 1.00 H new ATOM 1034 N ALA A 70 -0.458 -2.064 9.085 1.00 1.00 N ATOM 1035 CA ALA A 70 -0.657 -1.109 10.161 1.00 1.00 C ATOM 1036 C ALA A 70 -1.954 -0.334 9.915 1.00 1.00 C ATOM 1037 O ALA A 70 -1.946 0.702 9.251 1.00 1.00 O ATOM 1038 CB ALA A 70 0.562 -0.189 10.260 1.00 1.00 C ATOM 0 H ALA A 70 0.251 -2.774 9.271 1.00 1.00 H new ATOM 0 HA ALA A 70 -0.756 -1.623 11.117 1.00 1.00 H new ATOM 0 HB1 ALA A 70 0.412 0.528 11.068 1.00 1.00 H new ATOM 0 HB2 ALA A 70 1.452 -0.785 10.464 1.00 1.00 H new ATOM 0 HB3 ALA A 70 0.691 0.346 9.319 1.00 1.00 H new ATOM 1044 N ARG A 71 -3.036 -0.865 10.464 1.00 1.00 N ATOM 1045 CA ARG A 71 -4.337 -0.236 10.312 1.00 1.00 C ATOM 1046 C ARG A 71 -4.622 0.687 11.499 1.00 1.00 C ATOM 1047 O ARG A 71 -5.778 0.997 11.785 1.00 1.00 O ATOM 1048 CB ARG A 71 -5.447 -1.284 10.212 1.00 1.00 C ATOM 1049 CG ARG A 71 -5.747 -1.899 11.580 1.00 1.00 C ATOM 1050 CD ARG A 71 -4.704 -2.958 11.946 1.00 1.00 C ATOM 1051 NE ARG A 71 -5.344 -4.058 12.701 1.00 1.00 N ATOM 1052 CZ ARG A 71 -4.852 -5.313 12.772 1.00 1.00 C ATOM 1053 NH1 ARG A 71 -3.708 -5.638 12.133 1.00 1.00 N ATOM 1054 NH2 ARG A 71 -5.506 -6.218 13.476 1.00 1.00 N ATOM 0 H ARG A 71 -3.039 -1.724 11.015 1.00 1.00 H new ATOM 0 HA ARG A 71 -4.318 0.346 9.391 1.00 1.00 H new ATOM 0 HB2 ARG A 71 -6.350 -0.825 9.810 1.00 1.00 H new ATOM 0 HB3 ARG A 71 -5.150 -2.067 9.515 1.00 1.00 H new ATOM 0 HG2 ARG A 71 -5.759 -1.117 12.339 1.00 1.00 H new ATOM 0 HG3 ARG A 71 -6.740 -2.349 11.571 1.00 1.00 H new ATOM 0 HD2 ARG A 71 -4.238 -3.349 11.042 1.00 1.00 H new ATOM 0 HD3 ARG A 71 -3.911 -2.508 12.544 1.00 1.00 H new ATOM 0 HE ARG A 71 -6.211 -3.855 13.199 1.00 1.00 H new ATOM 0 HH11 ARG A 71 -3.208 -4.933 11.591 1.00 1.00 H new ATOM 0 HH12 ARG A 71 -3.343 -6.589 12.192 1.00 1.00 H new ATOM 0 HH21 ARG A 71 -6.369 -5.964 13.956 1.00 1.00 H new ATOM 0 HH22 ARG A 71 -5.148 -7.171 13.540 1.00 1.00 H new ATOM 1064 N GLY A 72 -3.550 1.099 12.158 1.00 1.00 N ATOM 1065 CA GLY A 72 -3.670 1.980 13.308 1.00 1.00 C ATOM 1066 C GLY A 72 -3.331 3.423 12.930 1.00 1.00 C ATOM 1067 O GLY A 72 -3.351 3.782 11.754 1.00 1.00 O ATOM 0 H GLY A 72 -2.593 0.839 11.918 1.00 1.00 H new ATOM 0 HA2 GLY A 72 -4.685 1.932 13.703 1.00 1.00 H new ATOM 0 HA3 GLY A 72 -3.003 1.642 14.101 1.00 1.00 H new ATOM 1071 N GLU A 73 -3.028 4.212 13.950 1.00 1.00 N ATOM 1072 CA GLU A 73 -2.686 5.608 13.740 1.00 1.00 C ATOM 1073 C GLU A 73 -1.202 5.744 13.393 1.00 1.00 C ATOM 1074 O GLU A 73 -0.347 5.707 14.277 1.00 1.00 O ATOM 1075 CB GLU A 73 -3.041 6.451 14.967 1.00 1.00 C ATOM 1076 CG GLU A 73 -4.208 7.392 14.667 1.00 1.00 C ATOM 1077 CD GLU A 73 -4.657 8.130 15.930 1.00 1.00 C ATOM 1078 OE1 GLU A 73 -4.663 7.542 17.022 1.00 1.00 O ATOM 1079 OE2 GLU A 73 -5.008 9.358 15.749 1.00 1.00 O ATOM 0 H GLU A 73 -3.012 3.911 14.924 1.00 1.00 H new ATOM 0 HA GLU A 73 -3.272 5.983 12.901 1.00 1.00 H new ATOM 0 HB2 GLU A 73 -3.302 5.797 15.799 1.00 1.00 H new ATOM 0 HB3 GLU A 73 -2.172 7.031 15.278 1.00 1.00 H new ATOM 0 HG2 GLU A 73 -3.911 8.114 13.906 1.00 1.00 H new ATOM 0 HG3 GLU A 73 -5.043 6.823 14.258 1.00 1.00 H new ATOM 1087 N LEU A 74 -0.941 5.900 12.103 1.00 1.00 N ATOM 1088 CA LEU A 74 0.425 6.042 11.628 1.00 1.00 C ATOM 1089 C LEU A 74 0.659 7.488 11.186 1.00 1.00 C ATOM 1090 O LEU A 74 -0.265 8.299 11.191 1.00 1.00 O ATOM 1091 CB LEU A 74 0.723 5.010 10.538 1.00 1.00 C ATOM 1092 CG LEU A 74 0.513 3.545 10.927 1.00 1.00 C ATOM 1093 CD1 LEU A 74 0.648 2.629 9.708 1.00 1.00 C ATOM 1094 CD2 LEU A 74 1.460 3.137 12.058 1.00 1.00 C ATOM 0 H LEU A 74 -1.652 5.931 11.372 1.00 1.00 H new ATOM 0 HA LEU A 74 1.131 5.836 12.432 1.00 1.00 H new ATOM 0 HB2 LEU A 74 0.094 5.230 9.675 1.00 1.00 H new ATOM 0 HB3 LEU A 74 1.758 5.136 10.219 1.00 1.00 H new ATOM 0 HG LEU A 74 -0.504 3.434 11.302 1.00 1.00 H new ATOM 0 HD11 LEU A 74 0.494 1.594 10.012 1.00 1.00 H new ATOM 0 HD12 LEU A 74 -0.099 2.903 8.963 1.00 1.00 H new ATOM 0 HD13 LEU A 74 1.645 2.737 9.280 1.00 1.00 H new ATOM 0 HD21 LEU A 74 1.290 2.092 12.315 1.00 1.00 H new ATOM 0 HD22 LEU A 74 2.492 3.268 11.733 1.00 1.00 H new ATOM 0 HD23 LEU A 74 1.273 3.761 12.932 1.00 1.00 H new ATOM 1106 N LYS A 75 1.900 7.766 10.814 1.00 1.00 N ATOM 1107 CA LYS A 75 2.267 9.099 10.369 1.00 1.00 C ATOM 1108 C LYS A 75 1.379 9.502 9.191 1.00 1.00 C ATOM 1109 O LYS A 75 0.780 10.577 9.198 1.00 1.00 O ATOM 1110 CB LYS A 75 3.764 9.169 10.063 1.00 1.00 C ATOM 1111 CG LYS A 75 4.243 10.620 9.994 1.00 1.00 C ATOM 1112 CD LYS A 75 5.280 10.908 11.082 1.00 1.00 C ATOM 1113 CE LYS A 75 4.974 12.226 11.796 1.00 1.00 C ATOM 1114 NZ LYS A 75 6.155 12.687 12.561 1.00 1.00 N ATOM 0 H LYS A 75 2.664 7.090 10.812 1.00 1.00 H new ATOM 0 HA LYS A 75 2.093 9.826 11.162 1.00 1.00 H new ATOM 0 HB2 LYS A 75 4.321 8.635 10.832 1.00 1.00 H new ATOM 0 HB3 LYS A 75 3.969 8.669 9.116 1.00 1.00 H new ATOM 0 HG2 LYS A 75 4.675 10.818 9.013 1.00 1.00 H new ATOM 0 HG3 LYS A 75 3.393 11.293 10.109 1.00 1.00 H new ATOM 0 HD2 LYS A 75 5.290 10.092 11.805 1.00 1.00 H new ATOM 0 HD3 LYS A 75 6.275 10.953 10.639 1.00 1.00 H new ATOM 0 HE2 LYS A 75 4.687 12.984 11.067 1.00 1.00 H new ATOM 0 HE3 LYS A 75 4.126 12.094 12.469 1.00 1.00 H new ATOM 0 HZ1 LYS A 75 5.931 13.583 13.040 1.00 1.00 H new ATOM 0 HZ2 LYS A 75 6.411 11.970 13.270 1.00 1.00 H new ATOM 0 HZ3 LYS A 75 6.954 12.832 11.912 1.00 1.00 H new ATOM 1127 N HIS A 76 1.320 8.618 8.206 1.00 1.00 N ATOM 1128 CA HIS A 76 0.515 8.868 7.022 1.00 1.00 C ATOM 1129 C HIS A 76 -0.744 7.999 7.065 1.00 1.00 C ATOM 1130 O HIS A 76 -1.353 7.835 8.121 1.00 1.00 O ATOM 1131 CB HIS A 76 1.338 8.656 5.750 1.00 1.00 C ATOM 1132 CG HIS A 76 2.723 9.255 5.808 1.00 1.00 C ATOM 1133 ND1 HIS A 76 3.135 10.555 5.766 1.00 1.00 N flip ATOM 1134 CD2 HIS A 76 3.868 8.486 5.922 1.00 1.00 C flip ATOM 1135 CE1 HIS A 76 4.459 10.579 5.851 1.00 1.00 C flip ATOM 1136 NE2 HIS A 76 4.916 9.297 5.948 1.00 1.00 N flip ATOM 0 H HIS A 76 1.817 7.727 8.203 1.00 1.00 H new ATOM 0 HA HIS A 76 0.196 9.910 7.009 1.00 1.00 H new ATOM 0 HB2 HIS A 76 1.424 7.586 5.559 1.00 1.00 H new ATOM 0 HB3 HIS A 76 0.801 9.089 4.906 1.00 1.00 H new ATOM 0 HD2 HIS A 76 3.902 7.408 5.980 1.00 1.00 H new ATOM 0 HE1 HIS A 76 5.074 11.467 5.844 1.00 1.00 H new ATOM 0 HE2 HIS A 76 5.892 9.013 6.027 1.00 1.00 H new ATOM 1144 N THR A 77 -1.096 7.466 5.905 1.00 1.00 N ATOM 1145 CA THR A 77 -2.271 6.618 5.797 1.00 1.00 C ATOM 1146 C THR A 77 -1.906 5.281 5.148 1.00 1.00 C ATOM 1147 O THR A 77 -1.687 5.213 3.939 1.00 1.00 O ATOM 1148 CB THR A 77 -3.344 7.393 5.030 1.00 1.00 C ATOM 1149 OG1 THR A 77 -3.307 8.697 5.603 1.00 1.00 O ATOM 1150 CG2 THR A 77 -4.757 6.892 5.333 1.00 1.00 C ATOM 0 H THR A 77 -0.588 7.605 5.031 1.00 1.00 H new ATOM 0 HA THR A 77 -2.670 6.368 6.780 1.00 1.00 H new ATOM 0 HB THR A 77 -3.153 7.314 3.960 1.00 1.00 H new ATOM 0 HG1 THR A 77 -3.972 9.267 5.163 1.00 1.00 H new ATOM 0 HG21 THR A 77 -5.480 7.476 4.763 1.00 1.00 H new ATOM 0 HG22 THR A 77 -4.838 5.841 5.054 1.00 1.00 H new ATOM 0 HG23 THR A 77 -4.961 7.001 6.398 1.00 1.00 H new ATOM 1158 N SER A 78 -1.852 4.251 5.979 1.00 1.00 N ATOM 1159 CA SER A 78 -1.518 2.920 5.502 1.00 1.00 C ATOM 1160 C SER A 78 -2.636 2.392 4.600 1.00 1.00 C ATOM 1161 O SER A 78 -3.730 2.953 4.568 1.00 1.00 O ATOM 1162 CB SER A 78 -1.278 1.960 6.668 1.00 1.00 C ATOM 1163 OG SER A 78 -1.434 2.604 7.930 1.00 1.00 O ATOM 0 H SER A 78 -2.034 4.311 6.981 1.00 1.00 H new ATOM 0 HA SER A 78 -0.595 2.985 4.926 1.00 1.00 H new ATOM 0 HB2 SER A 78 -1.974 1.124 6.599 1.00 1.00 H new ATOM 0 HB3 SER A 78 -0.273 1.544 6.595 1.00 1.00 H new ATOM 0 HG SER A 78 -1.912 2.009 8.544 1.00 1.00 H new ATOM 1169 N CYS A 79 -2.322 1.318 3.890 1.00 1.00 N ATOM 1170 CA CYS A 79 -3.286 0.707 2.991 1.00 1.00 C ATOM 1171 C CYS A 79 -4.484 0.238 3.819 1.00 1.00 C ATOM 1172 O CYS A 79 -5.586 0.765 3.676 1.00 1.00 O ATOM 1173 CB CYS A 79 -2.664 -0.436 2.187 1.00 1.00 C ATOM 1174 SG CYS A 79 -1.010 -0.076 1.493 1.00 1.00 S ATOM 0 H CYS A 79 -1.413 0.855 3.919 1.00 1.00 H new ATOM 0 HA CYS A 79 -3.619 1.440 2.256 1.00 1.00 H new ATOM 0 HB2 CYS A 79 -2.590 -1.314 2.828 1.00 1.00 H new ATOM 0 HB3 CYS A 79 -3.337 -0.694 1.369 1.00 1.00 H new ATOM 0 HG CYS A 79 -0.580 -1.112 0.836 1.00 1.00 H new ATOM 1179 N LEU A 80 -4.228 -0.749 4.665 1.00 1.00 N ATOM 1180 CA LEU A 80 -5.272 -1.295 5.515 1.00 1.00 C ATOM 1181 C LEU A 80 -6.012 -0.149 6.207 1.00 1.00 C ATOM 1182 O LEU A 80 -7.151 -0.314 6.641 1.00 1.00 O ATOM 1183 CB LEU A 80 -4.688 -2.324 6.485 1.00 1.00 C ATOM 1184 CG LEU A 80 -4.768 -3.786 6.040 1.00 1.00 C ATOM 1185 CD1 LEU A 80 -6.114 -4.404 6.423 1.00 1.00 C ATOM 1186 CD2 LEU A 80 -4.480 -3.920 4.543 1.00 1.00 C ATOM 0 H LEU A 80 -3.313 -1.185 4.780 1.00 1.00 H new ATOM 0 HA LEU A 80 -6.007 -1.834 4.917 1.00 1.00 H new ATOM 0 HB2 LEU A 80 -3.641 -2.075 6.661 1.00 1.00 H new ATOM 0 HB3 LEU A 80 -5.204 -2.227 7.440 1.00 1.00 H new ATOM 0 HG LEU A 80 -3.996 -4.346 6.568 1.00 1.00 H new ATOM 0 HD11 LEU A 80 -6.144 -5.443 6.095 1.00 1.00 H new ATOM 0 HD12 LEU A 80 -6.239 -4.361 7.505 1.00 1.00 H new ATOM 0 HD13 LEU A 80 -6.919 -3.849 5.942 1.00 1.00 H new ATOM 0 HD21 LEU A 80 -4.543 -4.969 4.253 1.00 1.00 H new ATOM 0 HD22 LEU A 80 -5.212 -3.342 3.979 1.00 1.00 H new ATOM 0 HD23 LEU A 80 -3.479 -3.544 4.330 1.00 1.00 H new ATOM 1198 N ALA A 81 -5.335 0.987 6.288 1.00 1.00 N ATOM 1199 CA ALA A 81 -5.915 2.160 6.920 1.00 1.00 C ATOM 1200 C ALA A 81 -7.095 2.655 6.081 1.00 1.00 C ATOM 1201 O ALA A 81 -8.250 2.505 6.479 1.00 1.00 O ATOM 1202 CB ALA A 81 -4.836 3.231 7.096 1.00 1.00 C ATOM 0 H ALA A 81 -4.391 1.120 5.927 1.00 1.00 H new ATOM 0 HA ALA A 81 -6.295 1.913 7.911 1.00 1.00 H new ATOM 0 HB1 ALA A 81 -5.271 4.111 7.570 1.00 1.00 H new ATOM 0 HB2 ALA A 81 -4.034 2.840 7.722 1.00 1.00 H new ATOM 0 HB3 ALA A 81 -4.434 3.506 6.121 1.00 1.00 H new ATOM 1208 N CYS A 82 -6.765 3.234 4.936 1.00 1.00 N ATOM 1209 CA CYS A 82 -7.784 3.751 4.038 1.00 1.00 C ATOM 1210 C CYS A 82 -8.862 2.679 3.866 1.00 1.00 C ATOM 1211 O CYS A 82 -10.016 2.880 4.238 1.00 1.00 O ATOM 1212 CB CYS A 82 -7.188 4.183 2.697 1.00 1.00 C ATOM 1213 SG CYS A 82 -8.505 4.844 1.611 1.00 1.00 S ATOM 0 H CYS A 82 -5.807 3.357 4.609 1.00 1.00 H new ATOM 0 HA CYS A 82 -8.231 4.647 4.468 1.00 1.00 H new ATOM 0 HB2 CYS A 82 -6.422 4.942 2.858 1.00 1.00 H new ATOM 0 HB3 CYS A 82 -6.700 3.335 2.216 1.00 1.00 H new ATOM 0 HG CYS A 82 -7.988 5.210 0.476 1.00 1.00 H new ATOM 1218 N HIS A 83 -8.446 1.548 3.295 1.00 1.00 N ATOM 1219 CA HIS A 83 -9.329 0.415 3.048 1.00 1.00 C ATOM 1220 C HIS A 83 -10.335 0.277 4.206 1.00 1.00 C ATOM 1221 O HIS A 83 -11.526 0.082 3.970 1.00 1.00 O ATOM 1222 CB HIS A 83 -8.474 -0.837 2.801 1.00 1.00 C ATOM 1223 CG HIS A 83 -7.874 -0.990 1.423 1.00 1.00 C ATOM 1224 ND1 HIS A 83 -7.507 -2.174 0.925 1.00 1.00 N ATOM 1225 CD2 HIS A 83 -7.589 -0.061 0.450 1.00 1.00 C ATOM 1226 CE1 HIS A 83 -7.012 -1.991 -0.310 1.00 1.00 C ATOM 1227 NE2 HIS A 83 -7.040 -0.704 -0.652 1.00 1.00 N ATOM 0 H HIS A 83 -7.484 1.395 2.991 1.00 1.00 H new ATOM 0 HA HIS A 83 -9.930 0.565 2.151 1.00 1.00 H new ATOM 0 HB2 HIS A 83 -7.662 -0.843 3.528 1.00 1.00 H new ATOM 0 HB3 HIS A 83 -9.089 -1.714 3.003 1.00 1.00 H new ATOM 0 HD1 HIS A 83 -7.589 -3.071 1.404 1.00 1.00 H new ATOM 0 HD2 HIS A 83 -7.764 1.002 0.530 1.00 1.00 H new ATOM 0 HE1 HIS A 83 -6.640 -2.783 -0.943 1.00 1.00 H new ATOM 1235 N SER A 84 -9.819 0.384 5.421 1.00 1.00 N ATOM 1236 CA SER A 84 -10.657 0.275 6.603 1.00 1.00 C ATOM 1237 C SER A 84 -11.954 1.060 6.398 1.00 1.00 C ATOM 1238 O SER A 84 -13.032 0.588 6.757 1.00 1.00 O ATOM 1239 CB SER A 84 -9.923 0.777 7.847 1.00 1.00 C ATOM 1240 OG SER A 84 -10.437 0.196 9.042 1.00 1.00 O ATOM 0 H SER A 84 -8.830 0.545 5.613 1.00 1.00 H new ATOM 0 HA SER A 84 -10.897 -0.777 6.757 1.00 1.00 H new ATOM 0 HB2 SER A 84 -8.861 0.546 7.759 1.00 1.00 H new ATOM 0 HB3 SER A 84 -10.009 1.862 7.905 1.00 1.00 H new ATOM 0 HG SER A 84 -9.941 0.541 9.813 1.00 1.00 H new ATOM 1246 N LYS A 85 -11.807 2.245 5.824 1.00 1.00 N ATOM 1247 CA LYS A 85 -12.954 3.100 5.568 1.00 1.00 C ATOM 1248 C LYS A 85 -13.743 2.545 4.380 1.00 1.00 C ATOM 1249 O LYS A 85 -14.969 2.461 4.430 1.00 1.00 O ATOM 1250 CB LYS A 85 -12.509 4.552 5.386 1.00 1.00 C ATOM 1251 CG LYS A 85 -13.685 5.513 5.572 1.00 1.00 C ATOM 1252 CD LYS A 85 -13.694 6.586 4.481 1.00 1.00 C ATOM 1253 CE LYS A 85 -13.566 7.985 5.086 1.00 1.00 C ATOM 1254 NZ LYS A 85 -13.499 9.007 4.018 1.00 1.00 N ATOM 0 H LYS A 85 -10.911 2.633 5.529 1.00 1.00 H new ATOM 0 HA LYS A 85 -13.627 3.102 6.425 1.00 1.00 H new ATOM 0 HB2 LYS A 85 -11.724 4.788 6.105 1.00 1.00 H new ATOM 0 HB3 LYS A 85 -12.081 4.683 4.392 1.00 1.00 H new ATOM 0 HG2 LYS A 85 -14.622 4.956 5.547 1.00 1.00 H new ATOM 0 HG3 LYS A 85 -13.621 5.986 6.552 1.00 1.00 H new ATOM 0 HD2 LYS A 85 -12.873 6.410 3.786 1.00 1.00 H new ATOM 0 HD3 LYS A 85 -14.618 6.518 3.906 1.00 1.00 H new ATOM 0 HE2 LYS A 85 -14.417 8.186 5.737 1.00 1.00 H new ATOM 0 HE3 LYS A 85 -12.671 8.039 5.706 1.00 1.00 H new ATOM 0 HZ1 LYS A 85 -13.412 9.951 4.446 1.00 1.00 H new ATOM 0 HZ2 LYS A 85 -12.673 8.824 3.413 1.00 1.00 H new ATOM 0 HZ3 LYS A 85 -14.365 8.966 3.443 1.00 1.00 H new ATOM 1267 N VAL A 86 -13.007 2.181 3.340 1.00 1.00 N ATOM 1268 CA VAL A 86 -13.623 1.637 2.142 1.00 1.00 C ATOM 1269 C VAL A 86 -14.537 0.472 2.527 1.00 1.00 C ATOM 1270 O VAL A 86 -15.630 0.328 1.980 1.00 1.00 O ATOM 1271 CB VAL A 86 -12.544 1.241 1.132 1.00 1.00 C ATOM 1272 CG1 VAL A 86 -13.164 0.593 -0.108 1.00 1.00 C ATOM 1273 CG2 VAL A 86 -11.683 2.446 0.749 1.00 1.00 C ATOM 0 H VAL A 86 -11.990 2.252 3.302 1.00 1.00 H new ATOM 0 HA VAL A 86 -14.243 2.390 1.657 1.00 1.00 H new ATOM 0 HB VAL A 86 -11.896 0.504 1.606 1.00 1.00 H new ATOM 0 HG11 VAL A 86 -12.375 0.321 -0.809 1.00 1.00 H new ATOM 0 HG12 VAL A 86 -13.713 -0.302 0.185 1.00 1.00 H new ATOM 0 HG13 VAL A 86 -13.846 1.297 -0.584 1.00 1.00 H new ATOM 0 HG21 VAL A 86 -10.924 2.137 0.030 1.00 1.00 H new ATOM 0 HG22 VAL A 86 -12.313 3.216 0.304 1.00 1.00 H new ATOM 0 HG23 VAL A 86 -11.198 2.845 1.640 1.00 1.00 H new ATOM 1283 N VAL A 87 -14.057 -0.329 3.467 1.00 1.00 N ATOM 1284 CA VAL A 87 -14.817 -1.477 3.932 1.00 1.00 C ATOM 1285 C VAL A 87 -16.206 -1.016 4.379 1.00 1.00 C ATOM 1286 O VAL A 87 -17.148 -1.807 4.405 1.00 1.00 O ATOM 1287 CB VAL A 87 -14.045 -2.204 5.035 1.00 1.00 C ATOM 1288 CG1 VAL A 87 -14.914 -3.275 5.697 1.00 1.00 C ATOM 1289 CG2 VAL A 87 -12.750 -2.809 4.490 1.00 1.00 C ATOM 0 H VAL A 87 -13.151 -0.206 3.919 1.00 1.00 H new ATOM 0 HA VAL A 87 -14.957 -2.195 3.124 1.00 1.00 H new ATOM 0 HB VAL A 87 -13.778 -1.471 5.796 1.00 1.00 H new ATOM 0 HG11 VAL A 87 -14.342 -3.777 6.477 1.00 1.00 H new ATOM 0 HG12 VAL A 87 -15.795 -2.808 6.137 1.00 1.00 H new ATOM 0 HG13 VAL A 87 -15.225 -4.004 4.949 1.00 1.00 H new ATOM 0 HG21 VAL A 87 -12.220 -3.320 5.294 1.00 1.00 H new ATOM 0 HG22 VAL A 87 -12.986 -3.522 3.700 1.00 1.00 H new ATOM 0 HG23 VAL A 87 -12.120 -2.016 4.087 1.00 1.00 H new ATOM 1299 N ALA A 88 -16.289 0.262 4.719 1.00 1.00 N ATOM 1300 CA ALA A 88 -17.547 0.837 5.163 1.00 1.00 C ATOM 1301 C ALA A 88 -18.334 1.332 3.948 1.00 1.00 C ATOM 1302 O ALA A 88 -19.291 2.091 4.091 1.00 1.00 O ATOM 1303 CB ALA A 88 -17.270 1.953 6.172 1.00 1.00 C ATOM 0 H ALA A 88 -15.506 0.915 4.696 1.00 1.00 H new ATOM 0 HA ALA A 88 -18.156 0.086 5.666 1.00 1.00 H new ATOM 0 HB1 ALA A 88 -18.214 2.385 6.505 1.00 1.00 H new ATOM 0 HB2 ALA A 88 -16.735 1.544 7.029 1.00 1.00 H new ATOM 0 HB3 ALA A 88 -16.663 2.727 5.701 1.00 1.00 H new ATOM 1437 N ASP A 96 -12.078 -8.372 0.224 1.00 1.00 N ATOM 1438 CA ASP A 96 -11.703 -7.803 -1.060 1.00 1.00 C ATOM 1439 C ASP A 96 -10.601 -6.763 -0.850 1.00 1.00 C ATOM 1440 O ASP A 96 -9.675 -6.664 -1.654 1.00 1.00 O ATOM 1441 CB ASP A 96 -12.893 -7.104 -1.720 1.00 1.00 C ATOM 1442 CG ASP A 96 -12.810 -6.988 -3.244 1.00 1.00 C ATOM 1443 OD1 ASP A 96 -13.067 -7.957 -3.973 1.00 1.00 O ATOM 1444 OD2 ASP A 96 -12.460 -5.826 -3.684 1.00 1.00 O ATOM 0 HA ASP A 96 -11.360 -8.615 -1.701 1.00 1.00 H new ATOM 0 HB2 ASP A 96 -13.803 -7.645 -1.461 1.00 1.00 H new ATOM 0 HB3 ASP A 96 -12.987 -6.103 -1.299 1.00 1.00 H new ATOM 1450 N LEU A 97 -10.736 -6.015 0.235 1.00 1.00 N ATOM 1451 CA LEU A 97 -9.763 -4.986 0.561 1.00 1.00 C ATOM 1452 C LEU A 97 -8.991 -5.400 1.815 1.00 1.00 C ATOM 1453 O LEU A 97 -7.884 -4.919 2.054 1.00 1.00 O ATOM 1454 CB LEU A 97 -10.445 -3.622 0.680 1.00 1.00 C ATOM 1455 CG LEU A 97 -11.444 -3.273 -0.424 1.00 1.00 C ATOM 1456 CD1 LEU A 97 -11.696 -1.765 -0.480 1.00 1.00 C ATOM 1457 CD2 LEU A 97 -10.986 -3.828 -1.774 1.00 1.00 C ATOM 0 H LEU A 97 -11.505 -6.101 0.900 1.00 1.00 H new ATOM 0 HA LEU A 97 -9.034 -4.882 -0.243 1.00 1.00 H new ATOM 0 HB2 LEU A 97 -10.963 -3.579 1.638 1.00 1.00 H new ATOM 0 HB3 LEU A 97 -9.673 -2.853 0.701 1.00 1.00 H new ATOM 0 HG LEU A 97 -12.395 -3.749 -0.186 1.00 1.00 H new ATOM 0 HD11 LEU A 97 -12.410 -1.545 -1.274 1.00 1.00 H new ATOM 0 HD12 LEU A 97 -12.099 -1.428 0.475 1.00 1.00 H new ATOM 0 HD13 LEU A 97 -10.758 -1.247 -0.681 1.00 1.00 H new ATOM 0 HD21 LEU A 97 -11.714 -3.566 -2.541 1.00 1.00 H new ATOM 0 HD22 LEU A 97 -10.017 -3.402 -2.033 1.00 1.00 H new ATOM 0 HD23 LEU A 97 -10.900 -4.913 -1.711 1.00 1.00 H new ATOM 1469 N THR A 98 -9.606 -6.286 2.584 1.00 1.00 N ATOM 1470 CA THR A 98 -8.990 -6.770 3.809 1.00 1.00 C ATOM 1471 C THR A 98 -8.762 -8.281 3.730 1.00 1.00 C ATOM 1472 O THR A 98 -8.372 -8.800 2.686 1.00 1.00 O ATOM 1473 CB THR A 98 -9.877 -6.349 4.982 1.00 1.00 C ATOM 1474 OG1 THR A 98 -11.106 -7.033 4.752 1.00 1.00 O ATOM 1475 CG2 THR A 98 -10.258 -4.868 4.926 1.00 1.00 C ATOM 0 H THR A 98 -10.524 -6.682 2.383 1.00 1.00 H new ATOM 0 HA THR A 98 -8.003 -6.332 3.956 1.00 1.00 H new ATOM 0 HB THR A 98 -9.361 -6.556 5.919 1.00 1.00 H new ATOM 0 HG1 THR A 98 -11.739 -6.818 5.468 1.00 1.00 H new ATOM 0 HG21 THR A 98 -10.888 -4.622 5.781 1.00 1.00 H new ATOM 0 HG22 THR A 98 -9.355 -4.259 4.953 1.00 1.00 H new ATOM 0 HG23 THR A 98 -10.804 -4.667 4.004 1.00 1.00 H new ATOM 1483 N GLY A 99 -9.017 -8.944 4.849 1.00 1.00 N ATOM 1484 CA GLY A 99 -8.844 -10.385 4.920 1.00 1.00 C ATOM 1485 C GLY A 99 -7.386 -10.775 4.671 1.00 1.00 C ATOM 1486 O GLY A 99 -6.773 -10.319 3.707 1.00 1.00 O ATOM 0 H GLY A 99 -9.342 -8.510 5.713 1.00 1.00 H new ATOM 0 HA2 GLY A 99 -9.158 -10.745 5.900 1.00 1.00 H new ATOM 0 HA3 GLY A 99 -9.485 -10.869 4.182 1.00 1.00 H new ATOM 1490 N CYS A 100 -6.872 -11.616 5.557 1.00 1.00 N ATOM 1491 CA CYS A 100 -5.498 -12.073 5.445 1.00 1.00 C ATOM 1492 C CYS A 100 -5.425 -13.105 4.318 1.00 1.00 C ATOM 1493 O CYS A 100 -4.398 -13.232 3.653 1.00 1.00 O ATOM 1494 CB CYS A 100 -4.980 -12.638 6.770 1.00 1.00 C ATOM 1495 SG CYS A 100 -5.006 -11.459 8.169 1.00 1.00 S ATOM 0 H CYS A 100 -7.383 -11.993 6.355 1.00 1.00 H new ATOM 0 HA CYS A 100 -4.850 -11.229 5.207 1.00 1.00 H new ATOM 0 HB2 CYS A 100 -5.579 -13.509 7.036 1.00 1.00 H new ATOM 0 HB3 CYS A 100 -3.957 -12.986 6.625 1.00 1.00 H new ATOM 0 HG CYS A 100 -4.550 -12.043 9.237 1.00 1.00 H new ATOM 1500 N ALA A 101 -6.528 -13.816 4.137 1.00 1.00 N ATOM 1501 CA ALA A 101 -6.602 -14.832 3.102 1.00 1.00 C ATOM 1502 C ALA A 101 -7.881 -14.631 2.286 1.00 1.00 C ATOM 1503 O ALA A 101 -8.788 -13.917 2.712 1.00 1.00 O ATOM 1504 CB ALA A 101 -6.531 -16.220 3.742 1.00 1.00 C ATOM 0 H ALA A 101 -7.378 -13.708 4.690 1.00 1.00 H new ATOM 0 HA ALA A 101 -5.758 -14.745 2.418 1.00 1.00 H new ATOM 0 HB1 ALA A 101 -6.587 -16.982 2.965 1.00 1.00 H new ATOM 0 HB2 ALA A 101 -5.591 -16.323 4.285 1.00 1.00 H new ATOM 0 HB3 ALA A 101 -7.365 -16.345 4.433 1.00 1.00 H new ATOM 1510 N LYS A 102 -7.913 -15.273 1.127 1.00 1.00 N ATOM 1511 CA LYS A 102 -9.066 -15.174 0.249 1.00 1.00 C ATOM 1512 C LYS A 102 -9.387 -13.698 0.000 1.00 1.00 C ATOM 1513 O LYS A 102 -10.483 -13.236 0.315 1.00 1.00 O ATOM 1514 CB LYS A 102 -10.242 -15.972 0.814 1.00 1.00 C ATOM 1515 CG LYS A 102 -10.843 -16.892 -0.250 1.00 1.00 C ATOM 1516 CD LYS A 102 -12.370 -16.798 -0.257 1.00 1.00 C ATOM 1517 CE LYS A 102 -12.965 -17.622 -1.401 1.00 1.00 C ATOM 1518 NZ LYS A 102 -12.704 -16.967 -2.702 1.00 1.00 N ATOM 0 H LYS A 102 -7.159 -15.863 0.776 1.00 1.00 H new ATOM 0 HA LYS A 102 -8.845 -15.621 -0.720 1.00 1.00 H new ATOM 0 HB2 LYS A 102 -9.908 -16.565 1.666 1.00 1.00 H new ATOM 0 HB3 LYS A 102 -11.007 -15.288 1.182 1.00 1.00 H new ATOM 0 HG2 LYS A 102 -10.454 -16.621 -1.232 1.00 1.00 H new ATOM 0 HG3 LYS A 102 -10.539 -17.921 -0.059 1.00 1.00 H new ATOM 0 HD2 LYS A 102 -12.764 -17.153 0.695 1.00 1.00 H new ATOM 0 HD3 LYS A 102 -12.673 -15.756 -0.359 1.00 1.00 H new ATOM 0 HE2 LYS A 102 -12.534 -18.623 -1.398 1.00 1.00 H new ATOM 0 HE3 LYS A 102 -14.039 -17.737 -1.254 1.00 1.00 H new ATOM 0 HZ1 LYS A 102 -13.279 -17.420 -3.440 1.00 1.00 H new ATOM 0 HZ2 LYS A 102 -12.953 -15.959 -2.639 1.00 1.00 H new ATOM 0 HZ3 LYS A 102 -11.696 -17.061 -2.942 1.00 1.00 H new ATOM 1531 N SER A 103 -8.411 -13.000 -0.561 1.00 1.00 N ATOM 1532 CA SER A 103 -8.576 -11.586 -0.855 1.00 1.00 C ATOM 1533 C SER A 103 -7.887 -11.243 -2.177 1.00 1.00 C ATOM 1534 O SER A 103 -7.376 -12.127 -2.863 1.00 1.00 O ATOM 1535 CB SER A 103 -8.017 -10.720 0.275 1.00 1.00 C ATOM 1536 OG SER A 103 -6.612 -10.519 0.149 1.00 1.00 O ATOM 0 H SER A 103 -7.503 -13.387 -0.820 1.00 1.00 H new ATOM 0 HA SER A 103 -9.642 -11.377 -0.943 1.00 1.00 H new ATOM 0 HB2 SER A 103 -8.523 -9.754 0.276 1.00 1.00 H new ATOM 0 HB3 SER A 103 -8.231 -11.193 1.234 1.00 1.00 H new ATOM 0 HG SER A 103 -6.294 -9.960 0.888 1.00 1.00 H new ATOM 1542 N LYS A 104 -7.896 -9.957 -2.496 1.00 1.00 N ATOM 1543 CA LYS A 104 -7.279 -9.486 -3.724 1.00 1.00 C ATOM 1544 C LYS A 104 -5.813 -9.141 -3.453 1.00 1.00 C ATOM 1545 O LYS A 104 -5.114 -8.646 -4.336 1.00 1.00 O ATOM 1546 CB LYS A 104 -8.083 -8.328 -4.318 1.00 1.00 C ATOM 1547 CG LYS A 104 -9.584 -8.540 -4.111 1.00 1.00 C ATOM 1548 CD LYS A 104 -10.084 -9.740 -4.917 1.00 1.00 C ATOM 1549 CE LYS A 104 -11.130 -10.532 -4.129 1.00 1.00 C ATOM 1550 NZ LYS A 104 -11.388 -11.837 -4.777 1.00 1.00 N ATOM 0 H LYS A 104 -8.321 -9.226 -1.925 1.00 1.00 H new ATOM 0 HA LYS A 104 -7.288 -10.271 -4.480 1.00 1.00 H new ATOM 0 HB2 LYS A 104 -7.777 -7.391 -3.852 1.00 1.00 H new ATOM 0 HB3 LYS A 104 -7.868 -8.240 -5.383 1.00 1.00 H new ATOM 0 HG2 LYS A 104 -9.790 -8.697 -3.052 1.00 1.00 H new ATOM 0 HG3 LYS A 104 -10.126 -7.644 -4.412 1.00 1.00 H new ATOM 0 HD2 LYS A 104 -10.515 -9.397 -5.858 1.00 1.00 H new ATOM 0 HD3 LYS A 104 -9.245 -10.389 -5.169 1.00 1.00 H new ATOM 0 HE2 LYS A 104 -10.783 -10.689 -3.108 1.00 1.00 H new ATOM 0 HE3 LYS A 104 -12.056 -9.961 -4.067 1.00 1.00 H new ATOM 0 HZ1 LYS A 104 -12.100 -12.362 -4.230 1.00 1.00 H new ATOM 0 HZ2 LYS A 104 -11.740 -11.681 -5.743 1.00 1.00 H new ATOM 0 HZ3 LYS A 104 -10.506 -12.387 -4.814 1.00 1.00 H new ATOM 1563 N CYS A 105 -5.390 -9.417 -2.228 1.00 1.00 N ATOM 1564 CA CYS A 105 -4.020 -9.142 -1.829 1.00 1.00 C ATOM 1565 C CYS A 105 -3.318 -10.477 -1.571 1.00 1.00 C ATOM 1566 O CYS A 105 -2.221 -10.719 -2.068 1.00 1.00 O ATOM 1567 CB CYS A 105 -3.959 -8.220 -0.610 1.00 1.00 C ATOM 1568 SG CYS A 105 -3.597 -6.506 -1.139 1.00 1.00 S ATOM 0 H CYS A 105 -5.972 -9.828 -1.498 1.00 1.00 H new ATOM 0 HA CYS A 105 -3.505 -8.610 -2.629 1.00 1.00 H new ATOM 0 HB2 CYS A 105 -4.907 -8.251 -0.073 1.00 1.00 H new ATOM 0 HB3 CYS A 105 -3.190 -8.566 0.080 1.00 1.00 H new ATOM 0 HG CYS A 105 -3.550 -5.731 -0.096 1.00 1.00 H new ATOM 1573 N HIS A 106 -3.986 -11.321 -0.783 1.00 1.00 N ATOM 1574 CA HIS A 106 -3.476 -12.640 -0.425 1.00 1.00 C ATOM 1575 C HIS A 106 -4.468 -13.724 -0.885 1.00 1.00 C ATOM 1576 O HIS A 106 -5.296 -14.210 -0.119 1.00 1.00 O ATOM 1577 CB HIS A 106 -3.170 -12.662 1.080 1.00 1.00 C ATOM 1578 CG HIS A 106 -2.111 -11.702 1.572 1.00 1.00 C ATOM 1579 ND1 HIS A 106 -0.872 -11.681 1.074 1.00 1.00 N ATOM 1580 CD2 HIS A 106 -2.151 -10.727 2.540 1.00 1.00 C ATOM 1581 CE1 HIS A 106 -0.166 -10.730 1.706 1.00 1.00 C ATOM 1582 NE2 HIS A 106 -0.909 -10.110 2.622 1.00 1.00 N ATOM 0 H HIS A 106 -4.896 -11.107 -0.376 1.00 1.00 H new ATOM 0 HA HIS A 106 -2.540 -12.859 -0.938 1.00 1.00 H new ATOM 0 HB2 HIS A 106 -4.095 -12.453 1.618 1.00 1.00 H new ATOM 0 HB3 HIS A 106 -2.865 -13.673 1.350 1.00 1.00 H new ATOM 0 HD2 HIS A 106 -3.013 -10.479 3.142 1.00 1.00 H new ATOM 0 HE1 HIS A 106 0.868 -10.498 1.499 1.00 1.00 H new ATOM 0 HE2 HIS A 106 -0.629 -9.352 3.244 1.00 1.00 H new ATOM 1590 N PRO A 107 -4.358 -14.091 -2.164 1.00 1.00 N ATOM 1591 CA PRO A 107 -5.188 -15.093 -2.799 1.00 1.00 C ATOM 1592 C PRO A 107 -4.827 -16.470 -2.260 1.00 1.00 C ATOM 1593 O PRO A 107 -5.321 -17.481 -2.754 1.00 1.00 O ATOM 1594 CB PRO A 107 -4.863 -14.985 -4.287 1.00 1.00 C ATOM 1595 CG PRO A 107 -4.053 -13.668 -4.465 1.00 1.00 C ATOM 1596 CD PRO A 107 -3.395 -13.541 -3.093 1.00 1.00 C ATOM 0 HA PRO A 107 -6.251 -14.946 -2.610 1.00 1.00 H new ATOM 0 HB2 PRO A 107 -4.284 -15.846 -4.621 1.00 1.00 H new ATOM 0 HB3 PRO A 107 -5.775 -14.964 -4.883 1.00 1.00 H new ATOM 0 HG2 PRO A 107 -3.320 -13.740 -5.268 1.00 1.00 H new ATOM 0 HG3 PRO A 107 -4.695 -12.817 -4.695 1.00 1.00 H new ATOM 0 HD2 PRO A 107 -2.453 -14.088 -3.055 1.00 1.00 H new ATOM 0 HD3 PRO A 107 -3.169 -12.501 -2.858 1.00 1.00 H new