USER MOD reduce.3.24.130724 H: found=0, std=0, add=770, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 769 hydrogens (14 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 37 ALY H2 : A 37 ALY N : A 36 PHE C :(H bumps) USER MOD NoAdj-H: A 37 ALY H : A 37 ALY N : A 36 PHE C :(H bumps) USER MOD Set 1.1: A 32 SER OG : rot 160:sc= 0 USER MOD Set 1.2: A 55 GLN :FLIP amide:sc= -0.234 F(o=-1.1,f=-0.23) USER MOD Single : A 1 MET CE :methyl -112:sc= -0.392 (180deg=-2.11!) USER MOD Single : A 1 MET N :NH3+ -120:sc= 0.163 (180deg=-0.0923) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 LYS NZ :NH3+ 143:sc= 1.2 (180deg=0.196) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot -47:sc= 0.503 USER MOD Single : A 16 LYS NZ :NH3+ 166:sc= -0.0551 (180deg=-0.259) USER MOD Single : A 17 LYS NZ :NH3+ -160:sc= 1.22 (180deg=1.19) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -131:sc= 0.953 (180deg=-0.462) USER MOD Single : A 29 GLN : amide:sc= -2.04 K(o=-2,f=-7.4!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= -0.8 K(o=-0.8,f=-6.1!) USER MOD Single : A 39 LYS NZ :NH3+ 170:sc= -0.0121 (180deg=-0.135) USER MOD Single : A 40 MET CE :methyl -152:sc= -0.449 (180deg=-1.39) USER MOD Single : A 41 THR OG1 : rot 24:sc= 0.47 USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.0241 USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ -176:sc= 1.28 (180deg=1.14) USER MOD Single : A 46 LYS NZ :NH3+ -156:sc= -1.55 (180deg=-2.65!) USER MOD Single : A 48 LYS NZ :NH3+ -165:sc= 1.05 (180deg=0.477) USER MOD Single : A 50 SER OG : rot 82:sc= 1.3 USER MOD Single : A 51 TYR OH : rot 128:sc= 0.00587 USER MOD Single : A 52 CYS SG : rot 71:sc= 0.928 USER MOD Single : A 53 GLN : amide:sc=-0.00266 X(o=-0.0027,f=-0.0087) USER MOD Single : A 59 MET CE :methyl -153:sc= -5.3 (180deg=-9.65!) USER MOD Single : A 60 ASN :FLIP amide:sc= -0.201 F(o=-2.9!,f=-0.2) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN :FLIP amide:sc= -0.0321 F(o=-1,f=-0.032) USER MOD Single : A 74 ASN : amide:sc= 1.13 K(o=1.1,f=-0.33) USER MOD Single : A 75 HIS : no HE2:sc= 1.02 K(o=1,f=-3.5!) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.0705 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 168:sc= -0.941 (180deg=-1.73) USER MOD Single : A 91 TYR OH : rot -17:sc= 0.00168 USER MOD Single : A 92 GLN : amide:sc= -0.638 K(o=-0.64,f=-1.5) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 THR OG1 : rot -96:sc= 1.02 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.047 19.220 32.658 1.00 0.00 N ATOM 2 CA MET A 1 -11.267 19.329 31.828 1.00 0.00 C ATOM 3 C MET A 1 -12.479 19.503 32.718 1.00 0.00 C ATOM 4 O MET A 1 -12.371 19.440 33.944 1.00 0.00 O ATOM 5 CB MET A 1 -11.440 18.089 30.944 1.00 0.00 C ATOM 6 CG MET A 1 -10.360 17.896 29.878 1.00 0.00 C ATOM 7 SD MET A 1 -10.412 19.136 28.556 1.00 0.00 S ATOM 8 CE MET A 1 -9.364 20.439 29.220 1.00 0.00 C ATOM 0 H1 MET A 1 -9.392 19.990 32.415 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.304 19.288 33.663 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.586 18.305 32.480 1.00 0.00 H new ATOM 0 HA MET A 1 -11.166 20.199 31.179 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.460 17.206 31.583 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.410 18.147 30.450 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.381 17.928 30.356 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.469 16.904 29.439 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.972 21.315 29.445 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.881 20.088 30.132 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.603 20.704 28.486 1.00 0.00 H new ATOM 18 N SER A 2 -13.637 19.728 32.120 1.00 0.00 N ATOM 19 CA SER A 2 -14.854 19.919 32.878 1.00 0.00 C ATOM 20 C SER A 2 -15.416 18.579 33.342 1.00 0.00 C ATOM 21 O SER A 2 -15.971 17.809 32.547 1.00 0.00 O ATOM 22 CB SER A 2 -15.886 20.660 32.029 1.00 0.00 C ATOM 23 OG SER A 2 -15.338 21.863 31.502 1.00 0.00 O ATOM 0 H SER A 2 -13.756 19.782 31.108 1.00 0.00 H new ATOM 0 HA SER A 2 -14.624 20.517 33.760 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.220 20.019 31.213 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.764 20.889 32.633 1.00 0.00 H new ATOM 0 HG SER A 2 -16.014 22.321 30.960 1.00 0.00 H new ATOM 29 N ASP A 3 -15.254 18.290 34.617 1.00 0.00 N ATOM 30 CA ASP A 3 -15.750 17.058 35.203 1.00 0.00 C ATOM 31 C ASP A 3 -15.911 17.235 36.699 1.00 0.00 C ATOM 32 O ASP A 3 -15.415 18.206 37.277 1.00 0.00 O ATOM 33 CB ASP A 3 -14.811 15.870 34.899 1.00 0.00 C ATOM 34 CG ASP A 3 -13.463 15.972 35.593 1.00 0.00 C ATOM 35 OD1 ASP A 3 -13.403 15.750 36.818 1.00 0.00 O ATOM 36 OD2 ASP A 3 -12.450 16.251 34.912 1.00 0.00 O ATOM 0 H ASP A 3 -14.775 18.902 35.278 1.00 0.00 H new ATOM 0 HA ASP A 3 -16.719 16.832 34.758 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -15.299 14.944 35.204 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -14.653 15.808 33.822 1.00 0.00 H new ATOM 41 N GLN A 4 -16.592 16.306 37.339 1.00 0.00 N ATOM 42 CA GLN A 4 -16.821 16.386 38.772 1.00 0.00 C ATOM 43 C GLN A 4 -16.337 15.131 39.457 1.00 0.00 C ATOM 44 O GLN A 4 -16.790 14.779 40.553 1.00 0.00 O ATOM 45 CB GLN A 4 -18.305 16.612 39.070 1.00 0.00 C ATOM 46 CG GLN A 4 -19.224 15.540 38.500 1.00 0.00 C ATOM 47 CD GLN A 4 -20.669 15.744 38.894 1.00 0.00 C ATOM 48 OE1 GLN A 4 -21.429 16.419 38.199 1.00 0.00 O ATOM 49 NE2 GLN A 4 -21.059 15.163 40.003 1.00 0.00 N ATOM 0 H GLN A 4 -16.998 15.485 36.891 1.00 0.00 H new ATOM 0 HA GLN A 4 -16.257 17.234 39.159 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -18.445 16.658 40.150 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -18.602 17.581 38.668 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -19.144 15.539 37.413 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -18.892 14.561 38.845 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -20.397 14.612 40.550 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -22.024 15.262 40.319 1.00 0.00 H new ATOM 58 N GLU A 5 -15.387 14.480 38.849 1.00 0.00 N ATOM 59 CA GLU A 5 -14.884 13.236 39.369 1.00 0.00 C ATOM 60 C GLU A 5 -13.739 13.481 40.346 1.00 0.00 C ATOM 61 O GLU A 5 -13.076 14.522 40.306 1.00 0.00 O ATOM 62 CB GLU A 5 -14.445 12.313 38.228 1.00 0.00 C ATOM 63 CG GLU A 5 -14.191 10.880 38.667 1.00 0.00 C ATOM 64 CD GLU A 5 -15.392 10.272 39.358 1.00 0.00 C ATOM 65 OE1 GLU A 5 -15.622 10.585 40.547 1.00 0.00 O ATOM 66 OE2 GLU A 5 -16.114 9.478 38.724 1.00 0.00 O ATOM 0 H GLU A 5 -14.941 14.791 37.986 1.00 0.00 H new ATOM 0 HA GLU A 5 -15.689 12.742 39.914 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -15.212 12.316 37.454 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -13.536 12.713 37.778 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -13.930 10.276 37.798 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -13.335 10.855 39.341 1.00 0.00 H new ATOM 73 N ALA A 6 -13.512 12.526 41.231 1.00 0.00 N ATOM 74 CA ALA A 6 -12.459 12.631 42.227 1.00 0.00 C ATOM 75 C ALA A 6 -11.097 12.301 41.624 1.00 0.00 C ATOM 76 O ALA A 6 -10.517 11.242 41.890 1.00 0.00 O ATOM 77 CB ALA A 6 -12.759 11.725 43.413 1.00 0.00 C ATOM 0 H ALA A 6 -14.049 11.660 41.280 1.00 0.00 H new ATOM 0 HA ALA A 6 -12.425 13.662 42.579 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -11.961 11.815 44.150 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -13.706 12.019 43.865 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -12.825 10.691 43.074 1.00 0.00 H new ATOM 83 N LYS A 7 -10.602 13.196 40.785 1.00 0.00 N ATOM 84 CA LYS A 7 -9.315 13.031 40.140 1.00 0.00 C ATOM 85 C LYS A 7 -8.623 14.372 39.917 1.00 0.00 C ATOM 86 O LYS A 7 -9.276 15.383 39.664 1.00 0.00 O ATOM 87 CB LYS A 7 -9.456 12.270 38.799 1.00 0.00 C ATOM 88 CG LYS A 7 -10.772 12.494 38.032 1.00 0.00 C ATOM 89 CD LYS A 7 -11.040 13.962 37.701 1.00 0.00 C ATOM 90 CE LYS A 7 -9.997 14.551 36.765 1.00 0.00 C ATOM 91 NZ LYS A 7 -10.292 15.974 36.458 1.00 0.00 N ATOM 0 H LYS A 7 -11.085 14.059 40.533 1.00 0.00 H new ATOM 0 HA LYS A 7 -8.693 12.438 40.811 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -8.628 12.558 38.152 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -9.350 11.203 38.996 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -10.746 11.919 37.106 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -11.600 12.106 38.625 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -12.025 14.053 37.244 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -11.062 14.541 38.625 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -9.010 14.472 37.220 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -9.968 13.975 35.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -9.402 16.508 36.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -10.796 16.036 35.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -10.885 16.376 37.212 1.00 0.00 H new ATOM 105 N PRO A 8 -7.292 14.401 40.035 1.00 0.00 N ATOM 106 CA PRO A 8 -6.497 15.604 39.780 1.00 0.00 C ATOM 107 C PRO A 8 -6.626 16.098 38.333 1.00 0.00 C ATOM 108 O PRO A 8 -7.328 17.068 38.051 1.00 0.00 O ATOM 109 CB PRO A 8 -5.055 15.150 40.066 1.00 0.00 C ATOM 110 CG PRO A 8 -5.102 13.666 39.982 1.00 0.00 C ATOM 111 CD PRO A 8 -6.454 13.278 40.478 1.00 0.00 C ATOM 0 HA PRO A 8 -6.824 16.442 40.395 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -4.358 15.566 39.339 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -4.724 15.480 41.050 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -4.948 13.326 38.958 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -4.317 13.214 40.589 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -6.786 12.331 40.052 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -6.471 13.163 41.562 1.00 0.00 H new ATOM 119 N SER A 9 -5.964 15.420 37.419 1.00 0.00 N ATOM 120 CA SER A 9 -5.983 15.821 36.018 1.00 0.00 C ATOM 121 C SER A 9 -6.419 14.688 35.095 1.00 0.00 C ATOM 122 O SER A 9 -6.756 14.930 33.944 1.00 0.00 O ATOM 123 CB SER A 9 -4.601 16.320 35.598 1.00 0.00 C ATOM 124 OG SER A 9 -4.176 17.391 36.422 1.00 0.00 O ATOM 0 H SER A 9 -5.405 14.589 37.615 1.00 0.00 H new ATOM 0 HA SER A 9 -6.715 16.623 35.924 1.00 0.00 H new ATOM 0 HB2 SER A 9 -3.882 15.503 35.658 1.00 0.00 H new ATOM 0 HB3 SER A 9 -4.628 16.645 34.558 1.00 0.00 H new ATOM 0 HG SER A 9 -3.289 17.692 36.135 1.00 0.00 H new ATOM 130 N THR A 10 -6.471 13.455 35.633 1.00 0.00 N ATOM 131 CA THR A 10 -6.769 12.213 34.861 1.00 0.00 C ATOM 132 C THR A 10 -6.083 12.162 33.464 1.00 0.00 C ATOM 133 O THR A 10 -6.512 11.424 32.570 1.00 0.00 O ATOM 134 CB THR A 10 -8.307 11.956 34.736 1.00 0.00 C ATOM 135 OG1 THR A 10 -8.548 10.623 34.290 1.00 0.00 O ATOM 136 CG2 THR A 10 -8.964 12.920 33.769 1.00 0.00 C ATOM 0 H THR A 10 -6.307 13.281 36.625 1.00 0.00 H new ATOM 0 HA THR A 10 -6.332 11.404 35.447 1.00 0.00 H new ATOM 0 HB THR A 10 -8.739 12.108 35.725 1.00 0.00 H new ATOM 0 HG1 THR A 10 -7.969 10.424 33.525 1.00 0.00 H new ATOM 0 HG21 THR A 10 -10.031 12.707 33.712 1.00 0.00 H new ATOM 0 HG22 THR A 10 -8.816 13.942 34.117 1.00 0.00 H new ATOM 0 HG23 THR A 10 -8.518 12.805 32.781 1.00 0.00 H new ATOM 144 N GLU A 11 -4.999 12.901 33.301 1.00 0.00 N ATOM 145 CA GLU A 11 -4.277 12.942 32.042 1.00 0.00 C ATOM 146 C GLU A 11 -2.860 12.454 32.243 1.00 0.00 C ATOM 147 O GLU A 11 -2.423 12.217 33.376 1.00 0.00 O ATOM 148 CB GLU A 11 -4.249 14.368 31.471 1.00 0.00 C ATOM 149 CG GLU A 11 -5.606 14.907 31.051 1.00 0.00 C ATOM 150 CD GLU A 11 -6.273 14.054 30.000 1.00 0.00 C ATOM 151 OE1 GLU A 11 -5.587 13.649 29.035 1.00 0.00 O ATOM 152 OE2 GLU A 11 -7.491 13.792 30.125 1.00 0.00 O ATOM 0 H GLU A 11 -4.597 13.486 34.033 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.793 12.292 31.335 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.823 15.037 32.219 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.582 14.387 30.609 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.253 14.971 31.926 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.487 15.921 30.668 1.00 0.00 H new ATOM 159 N ASP A 12 -2.131 12.300 31.163 1.00 0.00 N ATOM 160 CA ASP A 12 -0.753 11.871 31.242 1.00 0.00 C ATOM 161 C ASP A 12 0.137 12.811 30.447 1.00 0.00 C ATOM 162 O ASP A 12 0.691 13.765 30.992 1.00 0.00 O ATOM 163 CB ASP A 12 -0.601 10.426 30.758 1.00 0.00 C ATOM 164 CG ASP A 12 0.780 9.874 31.019 1.00 0.00 C ATOM 165 OD1 ASP A 12 1.172 9.793 32.205 1.00 0.00 O ATOM 166 OD2 ASP A 12 1.472 9.499 30.049 1.00 0.00 O ATOM 0 H ASP A 12 -2.470 12.466 30.215 1.00 0.00 H new ATOM 0 HA ASP A 12 -0.440 11.904 32.286 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -1.340 9.799 31.257 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -0.812 10.379 29.690 1.00 0.00 H new ATOM 171 N LEU A 13 0.266 12.560 29.157 1.00 0.00 N ATOM 172 CA LEU A 13 1.042 13.426 28.291 1.00 0.00 C ATOM 173 C LEU A 13 0.310 13.676 27.002 1.00 0.00 C ATOM 174 O LEU A 13 -0.101 12.746 26.309 1.00 0.00 O ATOM 175 CB LEU A 13 2.416 12.826 27.991 1.00 0.00 C ATOM 176 CG LEU A 13 3.361 12.709 29.179 1.00 0.00 C ATOM 177 CD1 LEU A 13 4.579 11.877 28.816 1.00 0.00 C ATOM 178 CD2 LEU A 13 3.785 14.088 29.663 1.00 0.00 C ATOM 0 H LEU A 13 -0.158 11.761 28.686 1.00 0.00 H new ATOM 0 HA LEU A 13 1.184 14.371 28.815 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.273 11.833 27.565 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.898 13.434 27.226 1.00 0.00 H new ATOM 0 HG LEU A 13 2.831 12.207 29.988 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.241 11.806 29.679 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.261 10.877 28.519 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.109 12.350 27.989 1.00 0.00 H new ATOM 0 HD21 LEU A 13 4.460 13.984 30.512 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.295 14.616 28.857 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.904 14.654 29.967 1.00 0.00 H new ATOM 190 N GLY A 14 0.123 14.928 26.688 1.00 0.00 N ATOM 191 CA GLY A 14 -0.519 15.301 25.450 1.00 0.00 C ATOM 192 C GLY A 14 0.463 15.941 24.503 1.00 0.00 C ATOM 193 O GLY A 14 0.144 16.903 23.811 1.00 0.00 O ATOM 0 H GLY A 14 0.406 15.714 27.273 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -0.957 14.419 24.983 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -1.336 15.993 25.654 1.00 0.00 H new ATOM 197 N ASP A 15 1.679 15.416 24.487 1.00 0.00 N ATOM 198 CA ASP A 15 2.742 15.945 23.640 1.00 0.00 C ATOM 199 C ASP A 15 2.558 15.531 22.201 1.00 0.00 C ATOM 200 O ASP A 15 3.011 16.218 21.283 1.00 0.00 O ATOM 201 CB ASP A 15 4.108 15.459 24.124 1.00 0.00 C ATOM 202 CG ASP A 15 4.505 16.049 25.455 1.00 0.00 C ATOM 203 OD1 ASP A 15 4.774 17.264 25.517 1.00 0.00 O ATOM 204 OD2 ASP A 15 4.556 15.300 26.448 1.00 0.00 O ATOM 0 H ASP A 15 1.957 14.617 25.056 1.00 0.00 H new ATOM 0 HA ASP A 15 2.693 17.032 23.704 1.00 0.00 H new ATOM 0 HB2 ASP A 15 4.093 14.372 24.204 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.863 15.714 23.380 1.00 0.00 H new ATOM 209 N LYS A 16 1.905 14.406 21.994 1.00 0.00 N ATOM 210 CA LYS A 16 1.706 13.880 20.662 1.00 0.00 C ATOM 211 C LYS A 16 0.754 14.766 19.870 1.00 0.00 C ATOM 212 O LYS A 16 -0.208 15.311 20.416 1.00 0.00 O ATOM 213 CB LYS A 16 1.167 12.454 20.725 1.00 0.00 C ATOM 214 CG LYS A 16 1.441 11.638 19.471 1.00 0.00 C ATOM 215 CD LYS A 16 2.939 11.412 19.264 1.00 0.00 C ATOM 216 CE LYS A 16 3.550 10.585 20.391 1.00 0.00 C ATOM 217 NZ LYS A 16 2.853 9.288 20.582 1.00 0.00 N ATOM 0 H LYS A 16 1.501 13.836 22.737 1.00 0.00 H new ATOM 0 HA LYS A 16 2.671 13.867 20.154 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.610 11.946 21.582 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.091 12.489 20.896 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.934 10.676 19.544 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.027 12.152 18.604 1.00 0.00 H new ATOM 0 HD2 LYS A 16 3.102 10.906 18.313 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.447 12.375 19.204 1.00 0.00 H new ATOM 0 HE2 LYS A 16 4.602 10.401 20.174 1.00 0.00 H new ATOM 0 HE3 LYS A 16 3.511 11.155 21.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 3.433 8.667 21.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 1.934 9.452 21.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 2.702 8.835 19.658 1.00 0.00 H new ATOM 231 N LYS A 17 1.024 14.909 18.588 1.00 0.00 N ATOM 232 CA LYS A 17 0.218 15.738 17.719 1.00 0.00 C ATOM 233 C LYS A 17 -1.139 15.077 17.490 1.00 0.00 C ATOM 234 O LYS A 17 -1.222 13.893 17.163 1.00 0.00 O ATOM 235 CB LYS A 17 0.956 15.954 16.386 1.00 0.00 C ATOM 236 CG LYS A 17 0.638 17.273 15.681 1.00 0.00 C ATOM 237 CD LYS A 17 -0.756 17.298 15.075 1.00 0.00 C ATOM 238 CE LYS A 17 -0.891 16.301 13.934 1.00 0.00 C ATOM 239 NZ LYS A 17 -2.190 16.444 13.234 1.00 0.00 N ATOM 0 H LYS A 17 1.808 14.454 18.121 1.00 0.00 H new ATOM 0 HA LYS A 17 0.052 16.709 18.185 1.00 0.00 H new ATOM 0 HB2 LYS A 17 2.029 15.907 16.570 1.00 0.00 H new ATOM 0 HB3 LYS A 17 0.711 15.131 15.714 1.00 0.00 H new ATOM 0 HG2 LYS A 17 0.734 18.092 16.393 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.374 17.446 14.895 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -1.492 17.071 15.846 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -0.976 18.301 14.710 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -0.077 16.447 13.224 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -0.797 15.287 14.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -2.400 15.571 12.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -2.942 16.619 13.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -2.140 17.243 12.570 1.00 0.00 H new ATOM 253 N GLU A 18 -2.200 15.840 17.667 1.00 0.00 N ATOM 254 CA GLU A 18 -3.545 15.330 17.498 1.00 0.00 C ATOM 255 C GLU A 18 -3.882 15.143 16.022 1.00 0.00 C ATOM 256 O GLU A 18 -4.010 16.104 15.262 1.00 0.00 O ATOM 257 CB GLU A 18 -4.593 16.233 18.195 1.00 0.00 C ATOM 258 CG GLU A 18 -4.519 17.723 17.838 1.00 0.00 C ATOM 259 CD GLU A 18 -3.365 18.440 18.514 1.00 0.00 C ATOM 260 OE1 GLU A 18 -3.544 18.922 19.648 1.00 0.00 O ATOM 261 OE2 GLU A 18 -2.271 18.514 17.915 1.00 0.00 O ATOM 0 H GLU A 18 -2.154 16.824 17.930 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.582 14.353 17.980 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -5.588 15.866 17.944 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.477 16.129 19.274 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -4.421 17.827 16.757 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -5.455 18.205 18.121 1.00 0.00 H new ATOM 268 N GLY A 19 -3.995 13.901 15.611 1.00 0.00 N ATOM 269 CA GLY A 19 -4.327 13.598 14.241 1.00 0.00 C ATOM 270 C GLY A 19 -5.332 12.479 14.155 1.00 0.00 C ATOM 271 O GLY A 19 -5.354 11.590 15.010 1.00 0.00 O ATOM 0 H GLY A 19 -3.861 13.085 16.208 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -4.729 14.488 13.757 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -3.423 13.320 13.699 1.00 0.00 H new ATOM 275 N GLU A 20 -6.175 12.510 13.147 1.00 0.00 N ATOM 276 CA GLU A 20 -7.189 11.500 12.978 1.00 0.00 C ATOM 277 C GLU A 20 -6.660 10.333 12.165 1.00 0.00 C ATOM 278 O GLU A 20 -5.589 10.408 11.545 1.00 0.00 O ATOM 279 CB GLU A 20 -8.461 12.077 12.322 1.00 0.00 C ATOM 280 CG GLU A 20 -8.246 12.706 10.944 1.00 0.00 C ATOM 281 CD GLU A 20 -7.644 14.093 11.012 1.00 0.00 C ATOM 282 OE1 GLU A 20 -6.404 14.210 11.067 1.00 0.00 O ATOM 283 OE2 GLU A 20 -8.408 15.076 11.023 1.00 0.00 O ATOM 0 H GLU A 20 -6.175 13.232 12.427 1.00 0.00 H new ATOM 0 HA GLU A 20 -7.457 11.140 13.971 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -9.199 11.280 12.230 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -8.886 12.829 12.987 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -7.593 12.062 10.355 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -9.201 12.756 10.421 1.00 0.00 H new ATOM 290 N TYR A 21 -7.403 9.255 12.175 1.00 0.00 N ATOM 291 CA TYR A 21 -7.034 8.054 11.465 1.00 0.00 C ATOM 292 C TYR A 21 -8.153 7.675 10.536 1.00 0.00 C ATOM 293 O TYR A 21 -9.322 7.951 10.822 1.00 0.00 O ATOM 294 CB TYR A 21 -6.804 6.901 12.443 1.00 0.00 C ATOM 295 CG TYR A 21 -5.735 7.135 13.500 1.00 0.00 C ATOM 296 CD1 TYR A 21 -5.877 8.128 14.472 1.00 0.00 C ATOM 297 CD2 TYR A 21 -4.604 6.339 13.548 1.00 0.00 C ATOM 298 CE1 TYR A 21 -4.919 8.312 15.447 1.00 0.00 C ATOM 299 CE2 TYR A 21 -3.642 6.524 14.518 1.00 0.00 C ATOM 300 CZ TYR A 21 -3.804 7.508 15.465 1.00 0.00 C ATOM 301 OH TYR A 21 -2.843 7.685 16.439 1.00 0.00 O ATOM 0 H TYR A 21 -8.287 9.185 12.679 1.00 0.00 H new ATOM 0 HA TYR A 21 -6.115 8.242 10.910 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -7.746 6.683 12.947 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -6.535 6.012 11.872 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -6.751 8.762 14.460 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -4.473 5.559 12.813 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -5.044 9.084 16.192 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -2.763 5.897 14.534 1.00 0.00 H new ATOM 0 HH TYR A 21 -2.122 7.035 16.309 1.00 0.00 H new ATOM 311 N ILE A 22 -7.832 7.066 9.414 1.00 0.00 N ATOM 312 CA ILE A 22 -8.834 6.613 8.491 1.00 0.00 C ATOM 313 C ILE A 22 -8.560 5.164 8.113 1.00 0.00 C ATOM 314 O ILE A 22 -7.440 4.672 8.263 1.00 0.00 O ATOM 315 CB ILE A 22 -8.825 7.454 7.205 1.00 0.00 C ATOM 316 CG1 ILE A 22 -7.425 7.467 6.602 1.00 0.00 C ATOM 317 CG2 ILE A 22 -9.304 8.873 7.481 1.00 0.00 C ATOM 318 CD1 ILE A 22 -7.426 7.629 5.113 1.00 0.00 C ATOM 0 H ILE A 22 -6.873 6.875 9.123 1.00 0.00 H new ATOM 0 HA ILE A 22 -9.805 6.711 8.977 1.00 0.00 H new ATOM 0 HB ILE A 22 -9.512 7.002 6.490 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -6.851 8.279 7.049 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -6.917 6.538 6.860 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -9.289 9.449 6.556 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -10.320 8.844 7.874 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -8.646 9.343 8.212 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.399 7.630 4.746 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -7.973 6.803 4.658 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -7.906 8.571 4.850 1.00 0.00 H new ATOM 330 N LYS A 23 -9.563 4.484 7.615 1.00 0.00 N ATOM 331 CA LYS A 23 -9.408 3.103 7.196 1.00 0.00 C ATOM 332 C LYS A 23 -9.399 3.035 5.689 1.00 0.00 C ATOM 333 O LYS A 23 -10.022 3.850 5.033 1.00 0.00 O ATOM 334 CB LYS A 23 -10.551 2.245 7.738 1.00 0.00 C ATOM 335 CG LYS A 23 -11.902 2.581 7.123 1.00 0.00 C ATOM 336 CD LYS A 23 -13.000 1.700 7.672 1.00 0.00 C ATOM 337 CE LYS A 23 -14.322 1.977 6.981 1.00 0.00 C ATOM 338 NZ LYS A 23 -15.428 1.184 7.564 1.00 0.00 N ATOM 0 H LYS A 23 -10.502 4.862 7.487 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.467 2.720 7.591 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -10.327 1.195 7.553 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -10.610 2.372 8.819 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -12.141 3.626 7.319 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -11.848 2.464 6.041 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -12.730 0.652 7.540 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -13.104 1.869 8.744 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -14.557 3.039 7.059 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -14.231 1.748 5.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -16.313 1.403 7.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -15.217 0.170 7.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -15.532 1.421 8.571 1.00 0.00 H new ATOM 352 N LEU A 24 -8.671 2.095 5.135 1.00 0.00 N ATOM 353 CA LEU A 24 -8.632 1.912 3.699 1.00 0.00 C ATOM 354 C LEU A 24 -8.493 0.433 3.362 1.00 0.00 C ATOM 355 O LEU A 24 -8.403 -0.419 4.262 1.00 0.00 O ATOM 356 CB LEU A 24 -7.491 2.707 3.053 1.00 0.00 C ATOM 357 CG LEU A 24 -7.358 4.166 3.469 1.00 0.00 C ATOM 358 CD1 LEU A 24 -6.450 4.302 4.680 1.00 0.00 C ATOM 359 CD2 LEU A 24 -6.847 4.991 2.323 1.00 0.00 C ATOM 0 H LEU A 24 -8.092 1.439 5.660 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.570 2.291 3.294 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -6.552 2.201 3.279 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -7.620 2.671 1.971 1.00 0.00 H new ATOM 0 HG LEU A 24 -8.345 4.536 3.747 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.370 5.353 4.959 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.867 3.736 5.513 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.460 3.915 4.438 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.757 6.031 2.635 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.870 4.619 2.014 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -7.542 4.922 1.487 1.00 0.00 H new ATOM 371 N LYS A 25 -8.442 0.127 2.076 1.00 0.00 N ATOM 372 CA LYS A 25 -8.352 -1.241 1.613 1.00 0.00 C ATOM 373 C LYS A 25 -7.610 -1.295 0.286 1.00 0.00 C ATOM 374 O LYS A 25 -7.731 -0.397 -0.538 1.00 0.00 O ATOM 375 CB LYS A 25 -9.760 -1.845 1.473 1.00 0.00 C ATOM 376 CG LYS A 25 -9.785 -3.268 0.918 1.00 0.00 C ATOM 377 CD LYS A 25 -10.222 -3.303 -0.533 1.00 0.00 C ATOM 378 CE LYS A 25 -11.690 -2.942 -0.676 1.00 0.00 C ATOM 379 NZ LYS A 25 -12.574 -3.917 0.023 1.00 0.00 N ATOM 0 H LYS A 25 -8.462 0.820 1.328 1.00 0.00 H new ATOM 0 HA LYS A 25 -7.796 -1.828 2.344 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.242 -1.841 2.450 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.354 -1.204 0.822 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.793 -3.710 1.009 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.462 -3.879 1.516 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -9.616 -2.608 -1.114 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -10.048 -4.298 -0.943 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -11.859 -1.944 -0.271 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -11.954 -2.906 -1.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -13.336 -4.216 -0.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.017 -4.747 0.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.987 -3.469 0.866 1.00 0.00 H new ATOM 393 N VAL A 26 -6.839 -2.345 0.075 1.00 0.00 N ATOM 394 CA VAL A 26 -6.079 -2.490 -1.162 1.00 0.00 C ATOM 395 C VAL A 26 -6.166 -3.929 -1.658 1.00 0.00 C ATOM 396 O VAL A 26 -6.163 -4.867 -0.861 1.00 0.00 O ATOM 397 CB VAL A 26 -4.582 -2.063 -1.006 1.00 0.00 C ATOM 398 CG1 VAL A 26 -4.460 -0.782 -0.206 1.00 0.00 C ATOM 399 CG2 VAL A 26 -3.759 -3.151 -0.370 1.00 0.00 C ATOM 0 H VAL A 26 -6.719 -3.110 0.739 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.525 -1.817 -1.894 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.194 -1.886 -2.009 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.409 -0.509 -0.114 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.999 0.017 -0.715 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -4.885 -0.931 0.787 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.725 -2.818 -0.278 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.157 -3.377 0.619 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.798 -4.047 -0.990 1.00 0.00 H new ATOM 409 N ILE A 27 -6.278 -4.104 -2.965 1.00 0.00 N ATOM 410 CA ILE A 27 -6.407 -5.433 -3.563 1.00 0.00 C ATOM 411 C ILE A 27 -5.268 -5.690 -4.533 1.00 0.00 C ATOM 412 O ILE A 27 -4.834 -4.787 -5.250 1.00 0.00 O ATOM 413 CB ILE A 27 -7.748 -5.555 -4.321 1.00 0.00 C ATOM 414 CG1 ILE A 27 -8.896 -5.180 -3.395 1.00 0.00 C ATOM 415 CG2 ILE A 27 -7.943 -6.971 -4.862 1.00 0.00 C ATOM 416 CD1 ILE A 27 -10.165 -4.808 -4.119 1.00 0.00 C ATOM 0 H ILE A 27 -6.283 -3.340 -3.640 1.00 0.00 H new ATOM 0 HA ILE A 27 -6.374 -6.169 -2.760 1.00 0.00 H new ATOM 0 HB ILE A 27 -7.732 -4.871 -5.169 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -9.101 -6.018 -2.728 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -8.587 -4.343 -2.769 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -8.894 -7.031 -5.391 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -7.131 -7.214 -5.547 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -7.944 -7.680 -4.034 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -10.937 -4.553 -3.393 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -9.977 -3.950 -4.765 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -10.500 -5.651 -4.723 1.00 0.00 H new ATOM 428 N GLY A 28 -4.779 -6.918 -4.566 1.00 0.00 N ATOM 429 CA GLY A 28 -3.692 -7.248 -5.462 1.00 0.00 C ATOM 430 C GLY A 28 -3.993 -8.445 -6.325 1.00 0.00 C ATOM 431 O GLY A 28 -5.045 -9.070 -6.187 1.00 0.00 O ATOM 0 H GLY A 28 -5.114 -7.691 -3.990 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -3.479 -6.390 -6.100 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -2.792 -7.443 -4.879 1.00 0.00 H new ATOM 435 N GLN A 29 -3.055 -8.798 -7.205 1.00 0.00 N ATOM 436 CA GLN A 29 -3.225 -9.931 -8.128 1.00 0.00 C ATOM 437 C GLN A 29 -3.244 -11.265 -7.388 1.00 0.00 C ATOM 438 O GLN A 29 -3.442 -12.318 -7.982 1.00 0.00 O ATOM 439 CB GLN A 29 -2.129 -9.941 -9.203 1.00 0.00 C ATOM 440 CG GLN A 29 -0.751 -10.413 -8.732 1.00 0.00 C ATOM 441 CD GLN A 29 -0.137 -9.523 -7.671 1.00 0.00 C ATOM 442 OE1 GLN A 29 0.479 -8.519 -7.974 1.00 0.00 O ATOM 443 NE2 GLN A 29 -0.273 -9.908 -6.426 1.00 0.00 N ATOM 0 H GLN A 29 -2.162 -8.314 -7.301 1.00 0.00 H new ATOM 0 HA GLN A 29 -4.191 -9.800 -8.615 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -2.453 -10.582 -10.022 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -2.031 -8.933 -9.607 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -0.837 -11.426 -8.339 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -0.079 -10.460 -9.589 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -0.797 -10.756 -6.209 1.00 0.00 H new ATOM 0 HE22 GLN A 29 0.145 -9.360 -5.674 1.00 0.00 H new ATOM 452 N ASP A 30 -3.041 -11.220 -6.084 1.00 0.00 N ATOM 453 CA ASP A 30 -3.095 -12.417 -5.261 1.00 0.00 C ATOM 454 C ASP A 30 -4.551 -12.710 -4.929 1.00 0.00 C ATOM 455 O ASP A 30 -4.881 -13.704 -4.283 1.00 0.00 O ATOM 456 CB ASP A 30 -2.277 -12.211 -3.974 1.00 0.00 C ATOM 457 CG ASP A 30 -2.296 -13.423 -3.058 1.00 0.00 C ATOM 458 OD1 ASP A 30 -1.650 -14.430 -3.390 1.00 0.00 O ATOM 459 OD2 ASP A 30 -2.960 -13.366 -2.005 1.00 0.00 O ATOM 0 H ASP A 30 -2.836 -10.364 -5.569 1.00 0.00 H new ATOM 0 HA ASP A 30 -2.666 -13.262 -5.800 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.245 -11.979 -4.239 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -2.669 -11.349 -3.435 1.00 0.00 H new ATOM 464 N SER A 31 -5.431 -11.810 -5.391 1.00 0.00 N ATOM 465 CA SER A 31 -6.867 -11.899 -5.170 1.00 0.00 C ATOM 466 C SER A 31 -7.187 -11.636 -3.710 1.00 0.00 C ATOM 467 O SER A 31 -8.318 -11.813 -3.258 1.00 0.00 O ATOM 468 CB SER A 31 -7.412 -13.261 -5.620 1.00 0.00 C ATOM 469 OG SER A 31 -6.979 -13.569 -6.940 1.00 0.00 O ATOM 0 H SER A 31 -5.154 -10.993 -5.935 1.00 0.00 H new ATOM 0 HA SER A 31 -7.358 -11.136 -5.774 1.00 0.00 H new ATOM 0 HB2 SER A 31 -7.076 -14.037 -4.932 1.00 0.00 H new ATOM 0 HB3 SER A 31 -8.501 -13.252 -5.583 1.00 0.00 H new ATOM 0 HG SER A 31 -7.336 -14.442 -7.206 1.00 0.00 H new ATOM 475 N SER A 32 -6.187 -11.182 -2.975 1.00 0.00 N ATOM 476 CA SER A 32 -6.348 -10.883 -1.589 1.00 0.00 C ATOM 477 C SER A 32 -6.417 -9.386 -1.412 1.00 0.00 C ATOM 478 O SER A 32 -6.134 -8.613 -2.348 1.00 0.00 O ATOM 479 CB SER A 32 -5.181 -11.456 -0.780 1.00 0.00 C ATOM 480 OG SER A 32 -5.510 -11.556 0.603 1.00 0.00 O ATOM 0 H SER A 32 -5.247 -11.015 -3.335 1.00 0.00 H new ATOM 0 HA SER A 32 -7.270 -11.337 -1.227 1.00 0.00 H new ATOM 0 HB2 SER A 32 -4.917 -12.441 -1.165 1.00 0.00 H new ATOM 0 HB3 SER A 32 -4.304 -10.820 -0.902 1.00 0.00 H new ATOM 0 HG SER A 32 -4.909 -12.197 1.037 1.00 0.00 H new ATOM 486 N GLU A 33 -6.766 -8.971 -0.228 1.00 0.00 N ATOM 487 CA GLU A 33 -6.886 -7.585 0.087 1.00 0.00 C ATOM 488 C GLU A 33 -6.562 -7.375 1.540 1.00 0.00 C ATOM 489 O GLU A 33 -6.632 -8.304 2.344 1.00 0.00 O ATOM 490 CB GLU A 33 -8.296 -7.073 -0.231 1.00 0.00 C ATOM 491 CG GLU A 33 -9.407 -7.730 0.572 1.00 0.00 C ATOM 492 CD GLU A 33 -10.762 -7.127 0.272 1.00 0.00 C ATOM 493 OE1 GLU A 33 -11.390 -7.536 -0.722 1.00 0.00 O ATOM 494 OE2 GLU A 33 -11.201 -6.232 1.031 1.00 0.00 O ATOM 0 H GLU A 33 -6.976 -9.595 0.551 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.182 -7.020 -0.524 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -8.326 -5.998 -0.054 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -8.493 -7.227 -1.292 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -9.429 -8.797 0.352 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -9.193 -7.628 1.636 1.00 0.00 H new ATOM 501 N ILE A 34 -6.204 -6.175 1.888 1.00 0.00 N ATOM 502 CA ILE A 34 -5.880 -5.871 3.252 1.00 0.00 C ATOM 503 C ILE A 34 -6.556 -4.583 3.675 1.00 0.00 C ATOM 504 O ILE A 34 -6.707 -3.645 2.875 1.00 0.00 O ATOM 505 CB ILE A 34 -4.350 -5.800 3.489 1.00 0.00 C ATOM 506 CG1 ILE A 34 -4.049 -5.662 4.972 1.00 0.00 C ATOM 507 CG2 ILE A 34 -3.737 -4.653 2.717 1.00 0.00 C ATOM 508 CD1 ILE A 34 -2.662 -6.094 5.347 1.00 0.00 C ATOM 0 H ILE A 34 -6.128 -5.387 1.244 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.256 -6.686 3.870 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.907 -6.728 3.128 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.189 -4.622 5.267 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.770 -6.253 5.537 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.663 -4.624 2.900 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.920 -4.792 1.652 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -4.186 -3.714 3.042 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.519 -5.967 6.420 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.524 -7.143 5.084 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.934 -5.486 4.810 1.00 0.00 H new ATOM 520 N HIS A 35 -7.014 -4.552 4.910 1.00 0.00 N ATOM 521 CA HIS A 35 -7.681 -3.387 5.462 1.00 0.00 C ATOM 522 C HIS A 35 -6.802 -2.805 6.542 1.00 0.00 C ATOM 523 O HIS A 35 -6.292 -3.537 7.390 1.00 0.00 O ATOM 524 CB HIS A 35 -9.043 -3.774 6.073 1.00 0.00 C ATOM 525 CG HIS A 35 -9.897 -4.632 5.191 1.00 0.00 C ATOM 526 ND1 HIS A 35 -10.788 -5.562 5.680 1.00 0.00 N ATOM 527 CD2 HIS A 35 -9.987 -4.703 3.852 1.00 0.00 C ATOM 528 CE1 HIS A 35 -11.386 -6.165 4.670 1.00 0.00 C ATOM 529 NE2 HIS A 35 -10.915 -5.659 3.553 1.00 0.00 N ATOM 0 H HIS A 35 -6.935 -5.333 5.561 1.00 0.00 H new ATOM 0 HA HIS A 35 -7.853 -2.661 4.667 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -8.870 -4.299 7.012 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -9.591 -2.863 6.314 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -9.428 -4.112 3.142 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -12.134 -6.941 4.748 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -11.197 -5.936 2.613 1.00 0.00 H new ATOM 538 N PHE A 36 -6.606 -1.515 6.529 1.00 0.00 N ATOM 539 CA PHE A 36 -5.745 -0.889 7.518 1.00 0.00 C ATOM 540 C PHE A 36 -6.282 0.454 7.961 1.00 0.00 C ATOM 541 O PHE A 36 -6.930 1.167 7.192 1.00 0.00 O ATOM 542 CB PHE A 36 -4.305 -0.748 6.987 1.00 0.00 C ATOM 543 CG PHE A 36 -4.217 -0.293 5.558 1.00 0.00 C ATOM 544 CD1 PHE A 36 -4.331 1.047 5.228 1.00 0.00 C ATOM 545 CD2 PHE A 36 -4.020 -1.211 4.544 1.00 0.00 C ATOM 546 CE1 PHE A 36 -4.251 1.458 3.916 1.00 0.00 C ATOM 547 CE2 PHE A 36 -3.943 -0.808 3.234 1.00 0.00 C ATOM 548 CZ PHE A 36 -4.057 0.530 2.919 1.00 0.00 C ATOM 0 H PHE A 36 -7.023 -0.874 5.854 1.00 0.00 H new ATOM 0 HA PHE A 36 -5.729 -1.542 8.390 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.766 -0.040 7.616 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.799 -1.709 7.082 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.484 1.778 6.008 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.925 -2.259 4.785 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -4.340 2.506 3.670 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -3.793 -1.537 2.452 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.994 0.849 1.889 1.00 0.00 H new HETATM 558 OH ALY A 37 -10.257 5.047 12.661 1.00 0.00 O HETATM 559 CH ALY A 37 -9.491 4.412 13.398 1.00 0.00 C HETATM 560 CH3 ALY A 37 -8.989 4.985 14.694 1.00 0.00 C HETATM 561 NZ ALY A 37 -9.066 3.195 13.092 1.00 0.00 N HETATM 562 CE ALY A 37 -9.954 2.105 12.684 1.00 0.00 C HETATM 563 CD ALY A 37 -9.201 0.840 12.256 1.00 0.00 C HETATM 564 CG ALY A 37 -8.464 1.017 10.925 1.00 0.00 C HETATM 565 CB ALY A 37 -7.208 1.866 11.073 1.00 0.00 C HETATM 566 CA ALY A 37 -6.430 2.064 9.768 1.00 0.00 C HETATM 567 N ALY A 37 -6.023 0.791 9.210 1.00 0.00 N HETATM 568 C ALY A 37 -5.200 2.910 10.021 1.00 0.00 C HETATM 569 O ALY A 37 -4.545 2.783 11.056 1.00 0.00 O HETATM 0 HH33 ALY A 37 -8.436 5.903 14.496 1.00 0.00 H new HETATM 0 HH32 ALY A 37 -9.834 5.204 15.347 1.00 0.00 H new HETATM 0 HH31 ALY A 37 -8.332 4.264 15.181 1.00 0.00 H new HETATM 0 HZ ALY A 37 -8.065 3.007 13.144 1.00 0.00 H new HETATM 0 HG3 ALY A 37 -9.132 1.482 10.200 1.00 0.00 H new HETATM 0 HG2 ALY A 37 -8.195 0.038 10.528 1.00 0.00 H new HETATM 0 HE3 ALY A 37 -10.580 2.444 11.858 1.00 0.00 H new HETATM 0 HE2 ALY A 37 -10.622 1.860 13.510 1.00 0.00 H new HETATM 0 HD3 ALY A 37 -9.906 0.013 12.170 1.00 0.00 H new HETATM 0 HD2 ALY A 37 -8.484 0.568 13.031 1.00 0.00 H new HETATM 0 HCA ALY A 37 -7.086 2.568 9.058 1.00 0.00 H new HETATM 0 HB3 ALY A 37 -6.552 1.400 11.808 1.00 0.00 H new HETATM 0 HB2 ALY A 37 -7.487 2.842 11.469 1.00 0.00 H new ATOM 584 N VAL A 38 -4.862 3.744 9.067 1.00 0.00 N ATOM 585 CA VAL A 38 -3.678 4.574 9.168 1.00 0.00 C ATOM 586 C VAL A 38 -4.038 5.982 9.606 1.00 0.00 C ATOM 587 O VAL A 38 -5.179 6.270 9.927 1.00 0.00 O ATOM 588 CB VAL A 38 -2.903 4.633 7.829 1.00 0.00 C ATOM 589 CG1 VAL A 38 -2.402 3.254 7.442 1.00 0.00 C ATOM 590 CG2 VAL A 38 -3.768 5.220 6.723 1.00 0.00 C ATOM 0 H VAL A 38 -5.392 3.869 8.205 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.034 4.117 9.919 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.042 5.287 7.965 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.860 3.315 6.498 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.737 2.877 8.219 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -3.249 2.577 7.330 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.199 5.250 5.794 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.654 4.600 6.586 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.071 6.231 6.996 1.00 0.00 H new ATOM 600 N LYS A 39 -3.066 6.864 9.586 1.00 0.00 N ATOM 601 CA LYS A 39 -3.270 8.232 10.006 1.00 0.00 C ATOM 602 C LYS A 39 -3.543 9.103 8.794 1.00 0.00 C ATOM 603 O LYS A 39 -3.224 8.718 7.666 1.00 0.00 O ATOM 604 CB LYS A 39 -2.038 8.747 10.758 1.00 0.00 C ATOM 605 CG LYS A 39 -1.709 7.954 12.014 1.00 0.00 C ATOM 606 CD LYS A 39 -0.446 8.471 12.684 1.00 0.00 C ATOM 607 CE LYS A 39 -0.159 7.734 13.987 1.00 0.00 C ATOM 608 NZ LYS A 39 0.019 6.273 13.780 1.00 0.00 N ATOM 0 H LYS A 39 -2.116 6.656 9.280 1.00 0.00 H new ATOM 0 HA LYS A 39 -4.128 8.273 10.677 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -1.178 8.722 10.088 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -2.200 9.790 11.030 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -2.544 8.014 12.713 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -1.582 6.902 11.759 1.00 0.00 H new ATOM 0 HD2 LYS A 39 0.400 8.355 12.006 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -0.550 9.537 12.884 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.740 8.146 14.445 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -0.978 7.903 14.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 0.377 5.839 14.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -0.895 5.844 13.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 0.700 6.112 13.010 1.00 0.00 H new ATOM 622 N MET A 40 -4.146 10.274 9.014 1.00 0.00 N ATOM 623 CA MET A 40 -4.421 11.224 7.928 1.00 0.00 C ATOM 624 C MET A 40 -3.141 11.520 7.163 1.00 0.00 C ATOM 625 O MET A 40 -3.138 11.684 5.942 1.00 0.00 O ATOM 626 CB MET A 40 -5.006 12.522 8.496 1.00 0.00 C ATOM 627 CG MET A 40 -5.444 13.552 7.448 1.00 0.00 C ATOM 628 SD MET A 40 -6.895 13.039 6.490 1.00 0.00 S ATOM 629 CE MET A 40 -6.141 12.206 5.090 1.00 0.00 C ATOM 0 H MET A 40 -4.454 10.589 9.934 1.00 0.00 H new ATOM 0 HA MET A 40 -5.148 10.781 7.247 1.00 0.00 H new ATOM 0 HB2 MET A 40 -5.865 12.273 9.119 1.00 0.00 H new ATOM 0 HB3 MET A 40 -4.263 12.983 9.147 1.00 0.00 H new ATOM 0 HG2 MET A 40 -5.664 14.496 7.948 1.00 0.00 H new ATOM 0 HG3 MET A 40 -4.615 13.738 6.765 1.00 0.00 H new ATOM 0 HE1 MET A 40 -6.799 12.281 4.224 1.00 0.00 H new ATOM 0 HE2 MET A 40 -5.184 12.674 4.860 1.00 0.00 H new ATOM 0 HE3 MET A 40 -5.982 11.156 5.334 1.00 0.00 H new ATOM 639 N THR A 41 -2.044 11.587 7.884 1.00 0.00 N ATOM 640 CA THR A 41 -0.761 11.800 7.282 1.00 0.00 C ATOM 641 C THR A 41 0.241 10.778 7.813 1.00 0.00 C ATOM 642 O THR A 41 0.502 10.712 9.018 1.00 0.00 O ATOM 643 CB THR A 41 -0.267 13.230 7.576 1.00 0.00 C ATOM 644 OG1 THR A 41 -0.175 13.422 8.996 1.00 0.00 O ATOM 645 CG2 THR A 41 -1.242 14.251 6.997 1.00 0.00 C ATOM 0 H THR A 41 -2.023 11.495 8.900 1.00 0.00 H new ATOM 0 HA THR A 41 -0.853 11.676 6.203 1.00 0.00 H new ATOM 0 HB THR A 41 0.713 13.367 7.118 1.00 0.00 H new ATOM 0 HG1 THR A 41 -0.067 12.554 9.437 1.00 0.00 H new ATOM 0 HG21 THR A 41 -0.884 15.258 7.210 1.00 0.00 H new ATOM 0 HG22 THR A 41 -1.315 14.113 5.918 1.00 0.00 H new ATOM 0 HG23 THR A 41 -2.224 14.112 7.448 1.00 0.00 H new ATOM 653 N THR A 42 0.783 9.966 6.917 1.00 0.00 N ATOM 654 CA THR A 42 1.752 8.952 7.278 1.00 0.00 C ATOM 655 C THR A 42 2.317 8.317 6.007 1.00 0.00 C ATOM 656 O THR A 42 1.835 8.591 4.902 1.00 0.00 O ATOM 657 CB THR A 42 1.116 7.855 8.188 1.00 0.00 C ATOM 658 OG1 THR A 42 2.137 7.025 8.758 1.00 0.00 O ATOM 659 CG2 THR A 42 0.141 6.986 7.402 1.00 0.00 C ATOM 0 H THR A 42 0.561 9.995 5.922 1.00 0.00 H new ATOM 0 HA THR A 42 2.555 9.426 7.843 1.00 0.00 H new ATOM 0 HB THR A 42 0.571 8.362 8.984 1.00 0.00 H new ATOM 0 HG1 THR A 42 1.724 6.343 9.328 1.00 0.00 H new ATOM 0 HG21 THR A 42 -0.286 6.231 8.062 1.00 0.00 H new ATOM 0 HG22 THR A 42 -0.657 7.609 6.998 1.00 0.00 H new ATOM 0 HG23 THR A 42 0.669 6.496 6.584 1.00 0.00 H new ATOM 667 N HIS A 43 3.324 7.475 6.147 1.00 0.00 N ATOM 668 CA HIS A 43 3.904 6.800 5.002 1.00 0.00 C ATOM 669 C HIS A 43 3.179 5.496 4.731 1.00 0.00 C ATOM 670 O HIS A 43 3.032 4.652 5.614 1.00 0.00 O ATOM 671 CB HIS A 43 5.394 6.529 5.210 1.00 0.00 C ATOM 672 CG HIS A 43 6.241 7.760 5.237 1.00 0.00 C ATOM 673 ND1 HIS A 43 7.133 8.037 6.244 1.00 0.00 N ATOM 674 CD2 HIS A 43 6.342 8.783 4.357 1.00 0.00 C ATOM 675 CE1 HIS A 43 7.745 9.176 5.986 1.00 0.00 C ATOM 676 NE2 HIS A 43 7.283 9.650 4.843 1.00 0.00 N ATOM 0 H HIS A 43 3.756 7.243 7.041 1.00 0.00 H new ATOM 0 HA HIS A 43 3.793 7.459 4.141 1.00 0.00 H new ATOM 0 HB2 HIS A 43 5.527 5.989 6.148 1.00 0.00 H new ATOM 0 HB3 HIS A 43 5.748 5.875 4.413 1.00 0.00 H new ATOM 0 HD2 HIS A 43 5.783 8.895 3.440 1.00 0.00 H new ATOM 0 HE1 HIS A 43 8.497 9.643 6.605 1.00 0.00 H new ATOM 0 HE2 HIS A 43 7.578 10.518 4.397 1.00 0.00 H new ATOM 685 N LEU A 44 2.731 5.324 3.501 1.00 0.00 N ATOM 686 CA LEU A 44 2.010 4.117 3.092 1.00 0.00 C ATOM 687 C LEU A 44 2.918 2.878 3.101 1.00 0.00 C ATOM 688 O LEU A 44 2.458 1.743 2.936 1.00 0.00 O ATOM 689 CB LEU A 44 1.372 4.317 1.717 1.00 0.00 C ATOM 690 CG LEU A 44 0.367 5.473 1.621 1.00 0.00 C ATOM 691 CD1 LEU A 44 -0.332 5.474 0.277 1.00 0.00 C ATOM 692 CD2 LEU A 44 -0.650 5.411 2.753 1.00 0.00 C ATOM 0 H LEU A 44 2.852 6.009 2.755 1.00 0.00 H new ATOM 0 HA LEU A 44 1.219 3.941 3.821 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.165 4.485 0.988 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.867 3.394 1.431 1.00 0.00 H new ATOM 0 HG LEU A 44 0.924 6.405 1.717 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.039 6.303 0.235 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.406 5.586 -0.517 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.867 4.534 0.145 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.349 6.242 2.660 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.196 4.469 2.700 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.133 5.477 3.710 1.00 0.00 H new ATOM 704 N LYS A 45 4.211 3.097 3.282 1.00 0.00 N ATOM 705 CA LYS A 45 5.179 2.017 3.335 1.00 0.00 C ATOM 706 C LYS A 45 4.789 0.987 4.399 1.00 0.00 C ATOM 707 O LYS A 45 5.005 -0.214 4.230 1.00 0.00 O ATOM 708 CB LYS A 45 6.574 2.589 3.618 1.00 0.00 C ATOM 709 CG LYS A 45 7.716 1.591 3.465 1.00 0.00 C ATOM 710 CD LYS A 45 8.000 0.811 4.741 1.00 0.00 C ATOM 711 CE LYS A 45 8.451 1.721 5.874 1.00 0.00 C ATOM 712 NZ LYS A 45 8.732 0.960 7.113 1.00 0.00 N ATOM 0 H LYS A 45 4.616 4.026 3.396 1.00 0.00 H new ATOM 0 HA LYS A 45 5.193 1.509 2.371 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.751 3.428 2.945 1.00 0.00 H new ATOM 0 HB3 LYS A 45 6.590 2.985 4.633 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.475 0.892 2.664 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.618 2.123 3.163 1.00 0.00 H new ATOM 0 HD2 LYS A 45 7.103 0.272 5.044 1.00 0.00 H new ATOM 0 HD3 LYS A 45 8.770 0.065 4.546 1.00 0.00 H new ATOM 0 HE2 LYS A 45 9.346 2.263 5.570 1.00 0.00 H new ATOM 0 HE3 LYS A 45 7.679 2.465 6.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 8.971 1.621 7.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 7.891 0.409 7.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 9.532 0.315 6.950 1.00 0.00 H new ATOM 726 N LYS A 46 4.182 1.455 5.485 1.00 0.00 N ATOM 727 CA LYS A 46 3.772 0.567 6.561 1.00 0.00 C ATOM 728 C LYS A 46 2.718 -0.430 6.081 1.00 0.00 C ATOM 729 O LYS A 46 2.705 -1.582 6.506 1.00 0.00 O ATOM 730 CB LYS A 46 3.266 1.369 7.782 1.00 0.00 C ATOM 731 CG LYS A 46 1.999 2.195 7.537 1.00 0.00 C ATOM 732 CD LYS A 46 0.712 1.402 7.801 1.00 0.00 C ATOM 733 CE LYS A 46 0.374 1.299 9.292 1.00 0.00 C ATOM 734 NZ LYS A 46 1.295 0.400 10.039 1.00 0.00 N ATOM 0 H LYS A 46 3.965 2.439 5.641 1.00 0.00 H new ATOM 0 HA LYS A 46 4.647 -0.001 6.876 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.076 0.674 8.600 1.00 0.00 H new ATOM 0 HB3 LYS A 46 4.060 2.039 8.111 1.00 0.00 H new ATOM 0 HG2 LYS A 46 2.015 3.076 8.178 1.00 0.00 H new ATOM 0 HG3 LYS A 46 1.996 2.551 6.507 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -0.117 1.878 7.277 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.817 0.399 7.387 1.00 0.00 H new ATOM 0 HE2 LYS A 46 0.408 2.294 9.736 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.648 0.936 9.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 0.818 0.047 10.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 1.563 -0.403 9.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 2.149 0.927 10.312 1.00 0.00 H new ATOM 748 N LEU A 47 1.835 0.008 5.172 1.00 0.00 N ATOM 749 CA LEU A 47 0.794 -0.872 4.667 1.00 0.00 C ATOM 750 C LEU A 47 1.395 -1.889 3.721 1.00 0.00 C ATOM 751 O LEU A 47 0.896 -3.004 3.593 1.00 0.00 O ATOM 752 CB LEU A 47 -0.352 -0.086 4.002 1.00 0.00 C ATOM 753 CG LEU A 47 -0.123 0.401 2.571 1.00 0.00 C ATOM 754 CD1 LEU A 47 -0.593 -0.631 1.551 1.00 0.00 C ATOM 755 CD2 LEU A 47 -0.820 1.718 2.355 1.00 0.00 C ATOM 0 H LEU A 47 1.827 0.951 4.783 1.00 0.00 H new ATOM 0 HA LEU A 47 0.354 -1.401 5.512 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.242 -0.716 4.007 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.572 0.782 4.624 1.00 0.00 H new ATOM 0 HG LEU A 47 0.948 0.541 2.427 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.416 -0.254 0.544 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.041 -1.560 1.693 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.658 -0.818 1.687 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.651 2.056 1.333 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.890 1.596 2.524 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.425 2.457 3.052 1.00 0.00 H new ATOM 767 N LYS A 48 2.486 -1.504 3.047 1.00 0.00 N ATOM 768 CA LYS A 48 3.213 -2.446 2.193 1.00 0.00 C ATOM 769 C LYS A 48 3.686 -3.611 3.038 1.00 0.00 C ATOM 770 O LYS A 48 3.434 -4.776 2.725 1.00 0.00 O ATOM 771 CB LYS A 48 4.425 -1.781 1.526 1.00 0.00 C ATOM 772 CG LYS A 48 4.144 -1.127 0.184 1.00 0.00 C ATOM 773 CD LYS A 48 3.198 0.049 0.306 1.00 0.00 C ATOM 774 CE LYS A 48 2.937 0.693 -1.049 1.00 0.00 C ATOM 775 NZ LYS A 48 4.119 0.614 -1.959 1.00 0.00 N ATOM 0 H LYS A 48 2.878 -0.563 3.076 1.00 0.00 H new ATOM 0 HA LYS A 48 2.539 -2.788 1.407 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.825 -1.027 2.204 1.00 0.00 H new ATOM 0 HB3 LYS A 48 5.203 -2.532 1.391 1.00 0.00 H new ATOM 0 HG2 LYS A 48 5.082 -0.792 -0.258 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.717 -1.865 -0.495 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.255 -0.284 0.740 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.620 0.788 0.987 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.086 0.204 -1.522 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.664 1.738 -0.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 3.990 1.272 -2.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 4.979 0.870 -1.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 4.212 -0.355 -2.324 1.00 0.00 H new ATOM 789 N GLU A 49 4.382 -3.287 4.122 1.00 0.00 N ATOM 790 CA GLU A 49 4.856 -4.284 5.066 1.00 0.00 C ATOM 791 C GLU A 49 3.705 -5.091 5.605 1.00 0.00 C ATOM 792 O GLU A 49 3.732 -6.307 5.578 1.00 0.00 O ATOM 793 CB GLU A 49 5.586 -3.607 6.210 1.00 0.00 C ATOM 794 CG GLU A 49 6.693 -2.705 5.742 1.00 0.00 C ATOM 795 CD GLU A 49 7.451 -2.072 6.880 1.00 0.00 C ATOM 796 OE1 GLU A 49 6.992 -1.034 7.397 1.00 0.00 O ATOM 797 OE2 GLU A 49 8.517 -2.598 7.261 1.00 0.00 O ATOM 0 H GLU A 49 4.631 -2.329 4.368 1.00 0.00 H new ATOM 0 HA GLU A 49 5.541 -4.954 4.546 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.874 -3.026 6.796 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.999 -4.368 6.872 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.385 -3.277 5.124 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.275 -1.922 5.110 1.00 0.00 H new ATOM 804 N SER A 50 2.674 -4.400 6.077 1.00 0.00 N ATOM 805 CA SER A 50 1.483 -5.052 6.622 1.00 0.00 C ATOM 806 C SER A 50 0.915 -6.072 5.627 1.00 0.00 C ATOM 807 O SER A 50 0.396 -7.120 6.014 1.00 0.00 O ATOM 808 CB SER A 50 0.413 -4.007 6.964 1.00 0.00 C ATOM 809 OG SER A 50 0.917 -3.018 7.856 1.00 0.00 O ATOM 0 H SER A 50 2.637 -3.381 6.094 1.00 0.00 H new ATOM 0 HA SER A 50 1.772 -5.578 7.532 1.00 0.00 H new ATOM 0 HB2 SER A 50 0.064 -3.529 6.049 1.00 0.00 H new ATOM 0 HB3 SER A 50 -0.448 -4.500 7.415 1.00 0.00 H new ATOM 0 HG SER A 50 1.419 -2.346 7.349 1.00 0.00 H new ATOM 815 N TYR A 51 1.049 -5.779 4.342 1.00 0.00 N ATOM 816 CA TYR A 51 0.535 -6.654 3.309 1.00 0.00 C ATOM 817 C TYR A 51 1.413 -7.900 3.204 1.00 0.00 C ATOM 818 O TYR A 51 0.918 -9.030 3.200 1.00 0.00 O ATOM 819 CB TYR A 51 0.487 -5.924 1.959 1.00 0.00 C ATOM 820 CG TYR A 51 -0.456 -6.547 0.945 1.00 0.00 C ATOM 821 CD1 TYR A 51 -0.287 -7.854 0.511 1.00 0.00 C ATOM 822 CD2 TYR A 51 -1.516 -5.823 0.429 1.00 0.00 C ATOM 823 CE1 TYR A 51 -1.150 -8.422 -0.413 1.00 0.00 C ATOM 824 CE2 TYR A 51 -2.384 -6.385 -0.497 1.00 0.00 C ATOM 825 CZ TYR A 51 -2.194 -7.682 -0.909 1.00 0.00 C ATOM 826 OH TYR A 51 -3.051 -8.241 -1.833 1.00 0.00 O ATOM 0 H TYR A 51 1.511 -4.939 3.993 1.00 0.00 H new ATOM 0 HA TYR A 51 -0.479 -6.952 3.574 1.00 0.00 H new ATOM 0 HB2 TYR A 51 0.187 -4.890 2.129 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.491 -5.900 1.536 1.00 0.00 H new ATOM 0 HD1 TYR A 51 0.532 -8.440 0.901 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -1.671 -4.804 0.752 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -1.002 -9.440 -0.741 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -3.205 -5.805 -0.892 1.00 0.00 H new ATOM 0 HH TYR A 51 -3.977 -8.126 -1.532 1.00 0.00 H new ATOM 836 N CYS A 52 2.716 -7.697 3.139 1.00 0.00 N ATOM 837 CA CYS A 52 3.659 -8.800 3.034 1.00 0.00 C ATOM 838 C CYS A 52 3.675 -9.625 4.321 1.00 0.00 C ATOM 839 O CYS A 52 3.894 -10.828 4.301 1.00 0.00 O ATOM 840 CB CYS A 52 5.063 -8.276 2.709 1.00 0.00 C ATOM 841 SG CYS A 52 6.311 -9.568 2.518 1.00 0.00 S ATOM 0 H CYS A 52 3.149 -6.774 3.157 1.00 0.00 H new ATOM 0 HA CYS A 52 3.337 -9.449 2.220 1.00 0.00 H new ATOM 0 HB2 CYS A 52 5.017 -7.693 1.789 1.00 0.00 H new ATOM 0 HB3 CYS A 52 5.378 -7.597 3.502 1.00 0.00 H new ATOM 0 HG CYS A 52 6.093 -10.222 1.416 1.00 0.00 H new ATOM 847 N GLN A 53 3.427 -8.974 5.438 1.00 0.00 N ATOM 848 CA GLN A 53 3.402 -9.643 6.730 1.00 0.00 C ATOM 849 C GLN A 53 2.149 -10.504 6.879 1.00 0.00 C ATOM 850 O GLN A 53 2.184 -11.580 7.478 1.00 0.00 O ATOM 851 CB GLN A 53 3.483 -8.616 7.864 1.00 0.00 C ATOM 852 CG GLN A 53 4.801 -7.849 7.902 1.00 0.00 C ATOM 853 CD GLN A 53 5.948 -8.682 8.425 1.00 0.00 C ATOM 854 OE1 GLN A 53 6.641 -9.360 7.664 1.00 0.00 O ATOM 855 NE2 GLN A 53 6.161 -8.638 9.722 1.00 0.00 N ATOM 0 H GLN A 53 3.238 -7.973 5.481 1.00 0.00 H new ATOM 0 HA GLN A 53 4.271 -10.299 6.788 1.00 0.00 H new ATOM 0 HB2 GLN A 53 2.662 -7.906 7.759 1.00 0.00 H new ATOM 0 HB3 GLN A 53 3.342 -9.127 8.816 1.00 0.00 H new ATOM 0 HG2 GLN A 53 5.041 -7.498 6.898 1.00 0.00 H new ATOM 0 HG3 GLN A 53 4.684 -6.965 8.529 1.00 0.00 H new ATOM 0 HE21 GLN A 53 5.564 -8.064 10.318 1.00 0.00 H new ATOM 0 HE22 GLN A 53 6.923 -9.178 10.132 1.00 0.00 H new ATOM 864 N ARG A 54 1.043 -10.046 6.321 1.00 0.00 N ATOM 865 CA ARG A 54 -0.210 -10.769 6.437 1.00 0.00 C ATOM 866 C ARG A 54 -0.350 -11.827 5.345 1.00 0.00 C ATOM 867 O ARG A 54 -0.615 -12.990 5.624 1.00 0.00 O ATOM 868 CB ARG A 54 -1.397 -9.809 6.378 1.00 0.00 C ATOM 869 CG ARG A 54 -2.727 -10.464 6.718 1.00 0.00 C ATOM 870 CD ARG A 54 -2.810 -10.810 8.200 1.00 0.00 C ATOM 871 NE ARG A 54 -3.914 -11.724 8.497 1.00 0.00 N ATOM 872 CZ ARG A 54 -4.760 -11.587 9.525 1.00 0.00 C ATOM 873 NH1 ARG A 54 -4.689 -10.524 10.322 1.00 0.00 N ATOM 874 NH2 ARG A 54 -5.686 -12.508 9.745 1.00 0.00 N ATOM 0 H ARG A 54 0.987 -9.180 5.785 1.00 0.00 H new ATOM 0 HA ARG A 54 -0.204 -11.272 7.404 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -1.221 -8.984 7.068 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -1.458 -9.380 5.378 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -3.544 -9.793 6.453 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -2.852 -11.369 6.123 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -1.871 -11.263 8.518 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -2.934 -9.894 8.778 1.00 0.00 H new ATOM 0 HE ARG A 54 -4.048 -12.522 7.876 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -3.986 -9.805 10.152 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -5.338 -10.428 11.103 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -5.754 -13.320 9.131 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -6.332 -12.405 10.528 1.00 0.00 H new ATOM 888 N GLN A 55 -0.163 -11.425 4.098 1.00 0.00 N ATOM 889 CA GLN A 55 -0.340 -12.339 2.976 1.00 0.00 C ATOM 890 C GLN A 55 0.917 -13.154 2.706 1.00 0.00 C ATOM 891 O GLN A 55 0.870 -14.178 2.031 1.00 0.00 O ATOM 892 CB GLN A 55 -0.749 -11.573 1.711 1.00 0.00 C ATOM 893 CG GLN A 55 -2.236 -11.224 1.635 1.00 0.00 C ATOM 894 CD GLN A 55 -2.685 -10.180 2.650 1.00 0.00 C ATOM 895 OE1 GLN A 55 -1.826 -9.220 2.959 1.00 0.00 O flip ATOM 896 NE2 GLN A 55 -3.809 -10.222 3.126 1.00 0.00 N flip ATOM 0 H GLN A 55 0.110 -10.478 3.836 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.137 -13.031 3.248 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -0.169 -10.652 1.656 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -0.484 -12.170 0.838 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -2.462 -10.860 0.633 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.819 -12.133 1.783 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -4.445 -10.976 2.866 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -4.112 -9.503 3.783 1.00 0.00 H new ATOM 905 N GLY A 56 2.034 -12.717 3.259 1.00 0.00 N ATOM 906 CA GLY A 56 3.293 -13.428 3.074 1.00 0.00 C ATOM 907 C GLY A 56 3.700 -13.544 1.613 1.00 0.00 C ATOM 908 O GLY A 56 4.122 -14.610 1.159 1.00 0.00 O ATOM 0 H GLY A 56 2.099 -11.879 3.837 1.00 0.00 H new ATOM 0 HA2 GLY A 56 4.080 -12.912 3.625 1.00 0.00 H new ATOM 0 HA3 GLY A 56 3.206 -14.427 3.502 1.00 0.00 H new ATOM 912 N VAL A 57 3.569 -12.457 0.876 1.00 0.00 N ATOM 913 CA VAL A 57 3.928 -12.428 -0.538 1.00 0.00 C ATOM 914 C VAL A 57 4.915 -11.295 -0.813 1.00 0.00 C ATOM 915 O VAL A 57 4.964 -10.323 -0.060 1.00 0.00 O ATOM 916 CB VAL A 57 2.675 -12.274 -1.451 1.00 0.00 C ATOM 917 CG1 VAL A 57 1.900 -13.577 -1.517 1.00 0.00 C ATOM 918 CG2 VAL A 57 1.773 -11.154 -0.948 1.00 0.00 C ATOM 0 H VAL A 57 3.213 -11.571 1.234 1.00 0.00 H new ATOM 0 HA VAL A 57 4.398 -13.383 -0.774 1.00 0.00 H new ATOM 0 HB VAL A 57 3.018 -12.019 -2.454 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.028 -13.450 -2.159 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.539 -14.360 -1.924 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.575 -13.858 -0.515 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.905 -11.065 -1.601 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.443 -11.380 0.066 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.325 -10.214 -0.948 1.00 0.00 H new ATOM 928 N PRO A 58 5.733 -11.416 -1.877 1.00 0.00 N ATOM 929 CA PRO A 58 6.733 -10.396 -2.227 1.00 0.00 C ATOM 930 C PRO A 58 6.096 -9.084 -2.694 1.00 0.00 C ATOM 931 O PRO A 58 5.573 -8.988 -3.801 1.00 0.00 O ATOM 932 CB PRO A 58 7.525 -11.048 -3.365 1.00 0.00 C ATOM 933 CG PRO A 58 6.590 -12.047 -3.954 1.00 0.00 C ATOM 934 CD PRO A 58 5.755 -12.555 -2.815 1.00 0.00 C ATOM 0 HA PRO A 58 7.346 -10.118 -1.370 1.00 0.00 H new ATOM 0 HB2 PRO A 58 7.834 -10.310 -4.106 1.00 0.00 H new ATOM 0 HB3 PRO A 58 8.432 -11.525 -2.993 1.00 0.00 H new ATOM 0 HG2 PRO A 58 5.966 -11.591 -4.722 1.00 0.00 H new ATOM 0 HG3 PRO A 58 7.138 -12.861 -4.430 1.00 0.00 H new ATOM 0 HD2 PRO A 58 4.751 -12.827 -3.142 1.00 0.00 H new ATOM 0 HD3 PRO A 58 6.193 -13.443 -2.360 1.00 0.00 H new ATOM 942 N MET A 59 6.152 -8.072 -1.843 1.00 0.00 N ATOM 943 CA MET A 59 5.555 -6.768 -2.119 1.00 0.00 C ATOM 944 C MET A 59 6.319 -5.965 -3.174 1.00 0.00 C ATOM 945 O MET A 59 5.864 -4.918 -3.607 1.00 0.00 O ATOM 946 CB MET A 59 5.401 -5.965 -0.825 1.00 0.00 C ATOM 947 CG MET A 59 3.968 -5.903 -0.273 1.00 0.00 C ATOM 948 SD MET A 59 3.187 -7.521 -0.057 1.00 0.00 S ATOM 949 CE MET A 59 2.377 -7.752 -1.637 1.00 0.00 C ATOM 0 H MET A 59 6.615 -8.129 -0.936 1.00 0.00 H new ATOM 0 HA MET A 59 4.568 -6.959 -2.541 1.00 0.00 H new ATOM 0 HB2 MET A 59 6.050 -6.400 -0.065 1.00 0.00 H new ATOM 0 HB3 MET A 59 5.752 -4.948 -1.001 1.00 0.00 H new ATOM 0 HG2 MET A 59 3.982 -5.388 0.687 1.00 0.00 H new ATOM 0 HG3 MET A 59 3.356 -5.304 -0.947 1.00 0.00 H new ATOM 0 HE1 MET A 59 1.512 -8.403 -1.511 1.00 0.00 H new ATOM 0 HE2 MET A 59 2.051 -6.786 -2.023 1.00 0.00 H new ATOM 0 HE3 MET A 59 3.074 -8.207 -2.340 1.00 0.00 H new ATOM 959 N ASN A 60 7.491 -6.437 -3.570 1.00 0.00 N ATOM 960 CA ASN A 60 8.293 -5.724 -4.579 1.00 0.00 C ATOM 961 C ASN A 60 7.948 -6.189 -5.992 1.00 0.00 C ATOM 962 O ASN A 60 8.077 -5.435 -6.956 1.00 0.00 O ATOM 963 CB ASN A 60 9.805 -5.883 -4.324 1.00 0.00 C ATOM 964 CG ASN A 60 10.284 -5.185 -3.054 1.00 0.00 C ATOM 965 OD1 ASN A 60 9.447 -5.167 -2.034 1.00 0.00 O flip ATOM 966 ND2 ASN A 60 11.407 -4.679 -2.996 1.00 0.00 N flip ATOM 0 H ASN A 60 7.912 -7.298 -3.220 1.00 0.00 H new ATOM 0 HA ASN A 60 8.044 -4.667 -4.490 1.00 0.00 H new ATOM 0 HB2 ASN A 60 10.045 -6.944 -4.259 1.00 0.00 H new ATOM 0 HB3 ASN A 60 10.353 -5.484 -5.177 1.00 0.00 H new ATOM 0 HD21 ASN A 60 12.025 -4.714 -3.807 1.00 0.00 H new ATOM 0 HD22 ASN A 60 11.718 -4.226 -2.137 1.00 0.00 H new ATOM 973 N SER A 61 7.539 -7.450 -6.117 1.00 0.00 N ATOM 974 CA SER A 61 7.138 -8.014 -7.402 1.00 0.00 C ATOM 975 C SER A 61 5.928 -7.276 -7.999 1.00 0.00 C ATOM 976 O SER A 61 5.670 -7.348 -9.198 1.00 0.00 O ATOM 977 CB SER A 61 6.840 -9.500 -7.236 1.00 0.00 C ATOM 978 OG SER A 61 7.956 -10.173 -6.670 1.00 0.00 O ATOM 0 H SER A 61 7.477 -8.104 -5.337 1.00 0.00 H new ATOM 0 HA SER A 61 7.963 -7.888 -8.103 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.966 -9.632 -6.598 1.00 0.00 H new ATOM 0 HB3 SER A 61 6.597 -9.938 -8.204 1.00 0.00 H new ATOM 0 HG SER A 61 7.747 -11.125 -6.569 1.00 0.00 H new ATOM 984 N LEU A 62 5.179 -6.588 -7.162 1.00 0.00 N ATOM 985 CA LEU A 62 4.062 -5.797 -7.609 1.00 0.00 C ATOM 986 C LEU A 62 4.189 -4.360 -7.102 1.00 0.00 C ATOM 987 O LEU A 62 5.069 -4.051 -6.307 1.00 0.00 O ATOM 988 CB LEU A 62 2.706 -6.424 -7.193 1.00 0.00 C ATOM 989 CG LEU A 62 2.570 -7.049 -5.780 1.00 0.00 C ATOM 990 CD1 LEU A 62 3.257 -8.401 -5.701 1.00 0.00 C ATOM 991 CD2 LEU A 62 3.083 -6.112 -4.697 1.00 0.00 C ATOM 0 H LEU A 62 5.331 -6.565 -6.154 1.00 0.00 H new ATOM 0 HA LEU A 62 4.081 -5.780 -8.699 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.943 -5.651 -7.286 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.464 -7.199 -7.921 1.00 0.00 H new ATOM 0 HG LEU A 62 1.506 -7.205 -5.602 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.142 -8.810 -4.697 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.806 -9.081 -6.424 1.00 0.00 H new ATOM 0 HD13 LEU A 62 4.317 -8.284 -5.926 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.970 -6.586 -3.722 1.00 0.00 H new ATOM 0 HD22 LEU A 62 4.136 -5.893 -4.874 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.511 -5.184 -4.717 1.00 0.00 H new ATOM 1003 N ARG A 63 3.319 -3.483 -7.559 1.00 0.00 N ATOM 1004 CA ARG A 63 3.349 -2.096 -7.123 1.00 0.00 C ATOM 1005 C ARG A 63 1.974 -1.649 -6.669 1.00 0.00 C ATOM 1006 O ARG A 63 0.970 -2.282 -6.986 1.00 0.00 O ATOM 1007 CB ARG A 63 3.877 -1.153 -8.225 1.00 0.00 C ATOM 1008 CG ARG A 63 3.082 -1.186 -9.521 1.00 0.00 C ATOM 1009 CD ARG A 63 3.527 -2.332 -10.416 1.00 0.00 C ATOM 1010 NE ARG A 63 2.654 -2.496 -11.584 1.00 0.00 N ATOM 1011 CZ ARG A 63 2.561 -1.628 -12.602 1.00 0.00 C ATOM 1012 NH1 ARG A 63 3.296 -0.526 -12.613 1.00 0.00 N ATOM 1013 NH2 ARG A 63 1.741 -1.879 -13.614 1.00 0.00 N ATOM 0 H ARG A 63 2.583 -3.702 -8.230 1.00 0.00 H new ATOM 0 HA ARG A 63 4.039 -2.040 -6.281 1.00 0.00 H new ATOM 0 HB2 ARG A 63 3.879 -0.133 -7.841 1.00 0.00 H new ATOM 0 HB3 ARG A 63 4.913 -1.414 -8.443 1.00 0.00 H new ATOM 0 HG2 ARG A 63 2.021 -1.289 -9.296 1.00 0.00 H new ATOM 0 HG3 ARG A 63 3.205 -0.241 -10.049 1.00 0.00 H new ATOM 0 HD2 ARG A 63 4.549 -2.153 -10.751 1.00 0.00 H new ATOM 0 HD3 ARG A 63 3.538 -3.257 -9.840 1.00 0.00 H new ATOM 0 HE ARG A 63 2.074 -3.334 -11.625 1.00 0.00 H new ATOM 0 HH11 ARG A 63 3.938 -0.333 -11.844 1.00 0.00 H new ATOM 0 HH12 ARG A 63 3.220 0.130 -13.391 1.00 0.00 H new ATOM 0 HH21 ARG A 63 1.182 -2.732 -13.618 1.00 0.00 H new ATOM 0 HH22 ARG A 63 1.670 -1.219 -14.389 1.00 0.00 H new ATOM 1027 N PHE A 64 1.925 -0.538 -5.958 1.00 0.00 N ATOM 1028 CA PHE A 64 0.680 -0.030 -5.411 1.00 0.00 C ATOM 1029 C PHE A 64 0.290 1.255 -6.116 1.00 0.00 C ATOM 1030 O PHE A 64 0.965 2.296 -5.984 1.00 0.00 O ATOM 1031 CB PHE A 64 0.811 0.204 -3.900 1.00 0.00 C ATOM 1032 CG PHE A 64 0.938 -1.063 -3.080 1.00 0.00 C ATOM 1033 CD1 PHE A 64 2.028 -1.911 -3.237 1.00 0.00 C ATOM 1034 CD2 PHE A 64 -0.025 -1.395 -2.141 1.00 0.00 C ATOM 1035 CE1 PHE A 64 2.149 -3.061 -2.480 1.00 0.00 C ATOM 1036 CE2 PHE A 64 0.091 -2.546 -1.381 1.00 0.00 C ATOM 1037 CZ PHE A 64 1.179 -3.379 -1.552 1.00 0.00 C ATOM 0 H PHE A 64 2.741 0.035 -5.744 1.00 0.00 H new ATOM 0 HA PHE A 64 -0.102 -0.771 -5.574 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.684 0.831 -3.716 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -0.060 0.761 -3.554 1.00 0.00 H new ATOM 0 HD1 PHE A 64 2.792 -1.668 -3.961 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -0.878 -0.747 -2.000 1.00 0.00 H new ATOM 0 HE1 PHE A 64 3.002 -3.710 -2.615 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -0.669 -2.793 -0.655 1.00 0.00 H new ATOM 0 HZ PHE A 64 1.270 -4.278 -0.960 1.00 0.00 H new ATOM 1047 N LEU A 65 -0.774 1.185 -6.882 1.00 0.00 N ATOM 1048 CA LEU A 65 -1.247 2.321 -7.641 1.00 0.00 C ATOM 1049 C LEU A 65 -2.663 2.679 -7.245 1.00 0.00 C ATOM 1050 O LEU A 65 -3.522 1.818 -7.076 1.00 0.00 O ATOM 1051 CB LEU A 65 -1.189 2.026 -9.138 1.00 0.00 C ATOM 1052 CG LEU A 65 0.140 1.470 -9.671 1.00 0.00 C ATOM 1053 CD1 LEU A 65 0.060 1.238 -11.169 1.00 0.00 C ATOM 1054 CD2 LEU A 65 1.292 2.405 -9.337 1.00 0.00 C ATOM 0 H LEU A 65 -1.335 0.341 -6.997 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.597 3.167 -7.420 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.978 1.313 -9.377 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.416 2.946 -9.677 1.00 0.00 H new ATOM 0 HG LEU A 65 0.326 0.513 -9.183 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.011 0.844 -11.527 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.733 0.522 -11.384 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.155 2.181 -11.672 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.222 1.989 -9.725 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.113 3.380 -9.791 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.368 2.517 -8.255 1.00 0.00 H new ATOM 1066 N PHE A 66 -2.904 3.948 -7.094 1.00 0.00 N ATOM 1067 CA PHE A 66 -4.223 4.438 -6.753 1.00 0.00 C ATOM 1068 C PHE A 66 -4.815 5.154 -7.931 1.00 0.00 C ATOM 1069 O PHE A 66 -4.400 6.246 -8.251 1.00 0.00 O ATOM 1070 CB PHE A 66 -4.162 5.380 -5.545 1.00 0.00 C ATOM 1071 CG PHE A 66 -5.428 6.169 -5.324 1.00 0.00 C ATOM 1072 CD1 PHE A 66 -6.665 5.549 -5.355 1.00 0.00 C ATOM 1073 CD2 PHE A 66 -5.372 7.535 -5.094 1.00 0.00 C ATOM 1074 CE1 PHE A 66 -7.821 6.271 -5.164 1.00 0.00 C ATOM 1075 CE2 PHE A 66 -6.527 8.264 -4.899 1.00 0.00 C ATOM 1076 CZ PHE A 66 -7.753 7.630 -4.934 1.00 0.00 C ATOM 0 H PHE A 66 -2.199 4.677 -7.202 1.00 0.00 H new ATOM 0 HA PHE A 66 -4.851 3.587 -6.490 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.949 4.795 -4.650 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -3.331 6.073 -5.678 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -6.724 4.485 -5.531 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.414 8.034 -5.067 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -8.780 5.775 -5.194 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -6.472 9.328 -4.719 1.00 0.00 H new ATOM 0 HZ PHE A 66 -8.659 8.198 -4.781 1.00 0.00 H new ATOM 1086 N GLU A 67 -5.770 4.513 -8.596 1.00 0.00 N ATOM 1087 CA GLU A 67 -6.460 5.076 -9.772 1.00 0.00 C ATOM 1088 C GLU A 67 -5.468 5.659 -10.807 1.00 0.00 C ATOM 1089 O GLU A 67 -5.807 6.554 -11.581 1.00 0.00 O ATOM 1090 CB GLU A 67 -7.515 6.135 -9.348 1.00 0.00 C ATOM 1091 CG GLU A 67 -6.945 7.457 -8.839 1.00 0.00 C ATOM 1092 CD GLU A 67 -7.985 8.553 -8.774 1.00 0.00 C ATOM 1093 OE1 GLU A 67 -8.151 9.276 -9.785 1.00 0.00 O ATOM 1094 OE2 GLU A 67 -8.639 8.709 -7.726 1.00 0.00 O ATOM 0 H GLU A 67 -6.096 3.581 -8.340 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.983 4.253 -10.260 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.161 6.342 -10.201 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.144 5.705 -8.568 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.519 7.307 -7.847 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.131 7.772 -9.491 1.00 0.00 H new ATOM 1101 N GLY A 68 -4.254 5.109 -10.849 1.00 0.00 N ATOM 1102 CA GLY A 68 -3.241 5.607 -11.766 1.00 0.00 C ATOM 1103 C GLY A 68 -2.154 6.424 -11.069 1.00 0.00 C ATOM 1104 O GLY A 68 -1.270 6.980 -11.719 1.00 0.00 O ATOM 0 H GLY A 68 -3.955 4.328 -10.265 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -2.780 4.765 -12.282 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -3.719 6.224 -12.527 1.00 0.00 H new ATOM 1108 N GLN A 69 -2.213 6.502 -9.748 1.00 0.00 N ATOM 1109 CA GLN A 69 -1.218 7.223 -8.963 1.00 0.00 C ATOM 1110 C GLN A 69 -0.107 6.278 -8.540 1.00 0.00 C ATOM 1111 O GLN A 69 -0.350 5.104 -8.268 1.00 0.00 O ATOM 1112 CB GLN A 69 -1.867 7.855 -7.721 1.00 0.00 C ATOM 1113 CG GLN A 69 -2.882 8.951 -8.031 1.00 0.00 C ATOM 1114 CD GLN A 69 -2.262 10.197 -8.641 1.00 0.00 C ATOM 1115 OE1 GLN A 69 -1.043 10.510 -8.254 1.00 0.00 O flip ATOM 1116 NE2 GLN A 69 -2.887 10.881 -9.445 1.00 0.00 N flip ATOM 0 H GLN A 69 -2.949 6.069 -9.190 1.00 0.00 H new ATOM 0 HA GLN A 69 -0.798 8.017 -9.580 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -2.360 7.072 -7.145 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -1.083 8.271 -7.088 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -3.633 8.556 -8.715 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -3.400 9.225 -7.112 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -3.830 10.608 -9.722 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -2.464 11.723 -9.836 1.00 0.00 H new ATOM 1125 N ARG A 70 1.105 6.786 -8.469 1.00 0.00 N ATOM 1126 CA ARG A 70 2.260 5.982 -8.118 1.00 0.00 C ATOM 1127 C ARG A 70 2.586 6.123 -6.635 1.00 0.00 C ATOM 1128 O ARG A 70 2.997 7.189 -6.172 1.00 0.00 O ATOM 1129 CB ARG A 70 3.464 6.416 -8.953 1.00 0.00 C ATOM 1130 CG ARG A 70 4.721 5.611 -8.695 1.00 0.00 C ATOM 1131 CD ARG A 70 4.576 4.182 -9.197 1.00 0.00 C ATOM 1132 NE ARG A 70 5.779 3.387 -8.954 1.00 0.00 N ATOM 1133 CZ ARG A 70 6.168 2.357 -9.715 1.00 0.00 C ATOM 1134 NH1 ARG A 70 5.464 2.017 -10.788 1.00 0.00 N ATOM 1135 NH2 ARG A 70 7.271 1.678 -9.407 1.00 0.00 N ATOM 0 H ARG A 70 1.319 7.766 -8.652 1.00 0.00 H new ATOM 0 HA ARG A 70 2.029 4.937 -8.325 1.00 0.00 H new ATOM 0 HB2 ARG A 70 3.207 6.338 -10.009 1.00 0.00 H new ATOM 0 HB3 ARG A 70 3.671 7.467 -8.752 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.568 6.088 -9.188 1.00 0.00 H new ATOM 0 HG3 ARG A 70 4.937 5.603 -7.627 1.00 0.00 H new ATOM 0 HD2 ARG A 70 3.725 3.710 -8.705 1.00 0.00 H new ATOM 0 HD3 ARG A 70 4.360 4.194 -10.265 1.00 0.00 H new ATOM 0 HE ARG A 70 6.359 3.633 -8.152 1.00 0.00 H new ATOM 0 HH11 ARG A 70 4.624 2.541 -11.034 1.00 0.00 H new ATOM 0 HH12 ARG A 70 5.763 1.232 -11.366 1.00 0.00 H new ATOM 0 HH21 ARG A 70 7.821 1.942 -8.590 1.00 0.00 H new ATOM 0 HH22 ARG A 70 7.566 0.893 -9.988 1.00 0.00 H new ATOM 1149 N ILE A 71 2.395 5.060 -5.875 1.00 0.00 N ATOM 1150 CA ILE A 71 2.710 5.091 -4.459 1.00 0.00 C ATOM 1151 C ILE A 71 3.955 4.255 -4.170 1.00 0.00 C ATOM 1152 O ILE A 71 3.877 3.025 -4.007 1.00 0.00 O ATOM 1153 CB ILE A 71 1.536 4.581 -3.572 1.00 0.00 C ATOM 1154 CG1 ILE A 71 0.300 5.496 -3.683 1.00 0.00 C ATOM 1155 CG2 ILE A 71 1.979 4.480 -2.115 1.00 0.00 C ATOM 1156 CD1 ILE A 71 -0.475 5.366 -4.982 1.00 0.00 C ATOM 0 H ILE A 71 2.026 4.171 -6.212 1.00 0.00 H new ATOM 0 HA ILE A 71 2.892 6.136 -4.206 1.00 0.00 H new ATOM 0 HB ILE A 71 1.255 3.592 -3.934 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.371 5.278 -2.853 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.621 6.532 -3.570 1.00 0.00 H new ATOM 0 HG21 ILE A 71 1.149 4.122 -1.506 1.00 0.00 H new ATOM 0 HG22 ILE A 71 2.813 3.783 -2.036 1.00 0.00 H new ATOM 0 HG23 ILE A 71 2.292 5.462 -1.761 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.326 6.047 -4.968 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.176 5.615 -5.820 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.832 4.342 -5.092 1.00 0.00 H new ATOM 1168 N ALA A 72 5.112 4.896 -4.111 1.00 0.00 N ATOM 1169 CA ALA A 72 6.332 4.165 -3.843 1.00 0.00 C ATOM 1170 C ALA A 72 6.784 4.335 -2.399 1.00 0.00 C ATOM 1171 O ALA A 72 7.727 5.057 -2.108 1.00 0.00 O ATOM 1172 CB ALA A 72 7.431 4.593 -4.803 1.00 0.00 C ATOM 0 H ALA A 72 5.228 5.901 -4.243 1.00 0.00 H new ATOM 0 HA ALA A 72 6.124 3.106 -3.998 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.341 4.033 -4.587 1.00 0.00 H new ATOM 0 HB2 ALA A 72 7.117 4.394 -5.828 1.00 0.00 H new ATOM 0 HB3 ALA A 72 7.624 5.659 -4.683 1.00 0.00 H new ATOM 1178 N ASP A 73 6.084 3.647 -1.501 1.00 0.00 N ATOM 1179 CA ASP A 73 6.414 3.573 -0.058 1.00 0.00 C ATOM 1180 C ASP A 73 6.733 4.929 0.601 1.00 0.00 C ATOM 1181 O ASP A 73 7.391 4.978 1.635 1.00 0.00 O ATOM 1182 CB ASP A 73 7.566 2.589 0.158 1.00 0.00 C ATOM 1183 CG ASP A 73 7.157 1.159 -0.129 1.00 0.00 C ATOM 1184 OD1 ASP A 73 6.535 0.915 -1.187 1.00 0.00 O ATOM 1185 OD2 ASP A 73 7.448 0.278 0.692 1.00 0.00 O ATOM 0 H ASP A 73 5.253 3.110 -1.749 1.00 0.00 H new ATOM 0 HA ASP A 73 5.510 3.221 0.439 1.00 0.00 H new ATOM 0 HB2 ASP A 73 8.401 2.863 -0.487 1.00 0.00 H new ATOM 0 HB3 ASP A 73 7.919 2.665 1.187 1.00 0.00 H new ATOM 1190 N ASN A 74 6.230 6.018 0.046 1.00 0.00 N ATOM 1191 CA ASN A 74 6.498 7.339 0.623 1.00 0.00 C ATOM 1192 C ASN A 74 5.338 8.283 0.395 1.00 0.00 C ATOM 1193 O ASN A 74 5.200 9.285 1.089 1.00 0.00 O ATOM 1194 CB ASN A 74 7.800 7.955 0.073 1.00 0.00 C ATOM 1195 CG ASN A 74 7.660 8.506 -1.333 1.00 0.00 C ATOM 1196 OD1 ASN A 74 7.313 9.672 -1.528 1.00 0.00 O ATOM 1197 ND2 ASN A 74 7.929 7.685 -2.313 1.00 0.00 N ATOM 0 H ASN A 74 5.643 6.024 -0.788 1.00 0.00 H new ATOM 0 HA ASN A 74 6.623 7.193 1.696 1.00 0.00 H new ATOM 0 HB2 ASN A 74 8.123 8.756 0.738 1.00 0.00 H new ATOM 0 HB3 ASN A 74 8.583 7.197 0.082 1.00 0.00 H new ATOM 0 HD21 ASN A 74 7.855 8.003 -3.279 1.00 0.00 H new ATOM 0 HD22 ASN A 74 8.213 6.726 -2.112 1.00 0.00 H new ATOM 1204 N HIS A 75 4.497 7.972 -0.587 1.00 0.00 N ATOM 1205 CA HIS A 75 3.336 8.784 -0.866 1.00 0.00 C ATOM 1206 C HIS A 75 2.394 8.761 0.323 1.00 0.00 C ATOM 1207 O HIS A 75 2.307 7.761 1.042 1.00 0.00 O ATOM 1208 CB HIS A 75 2.619 8.289 -2.119 1.00 0.00 C ATOM 1209 CG HIS A 75 2.347 9.370 -3.114 1.00 0.00 C ATOM 1210 ND1 HIS A 75 2.668 9.264 -4.447 1.00 0.00 N ATOM 1211 CD2 HIS A 75 1.781 10.589 -2.966 1.00 0.00 C ATOM 1212 CE1 HIS A 75 2.320 10.363 -5.071 1.00 0.00 C ATOM 1213 NE2 HIS A 75 1.778 11.191 -4.200 1.00 0.00 N ATOM 0 H HIS A 75 4.605 7.162 -1.198 1.00 0.00 H new ATOM 0 HA HIS A 75 3.662 9.809 -1.043 1.00 0.00 H new ATOM 0 HB2 HIS A 75 3.223 7.514 -2.592 1.00 0.00 H new ATOM 0 HB3 HIS A 75 1.676 7.826 -1.830 1.00 0.00 H new ATOM 0 HD1 HIS A 75 3.109 8.454 -4.883 1.00 0.00 H new ATOM 0 HD2 HIS A 75 1.401 11.011 -2.047 1.00 0.00 H new ATOM 0 HE1 HIS A 75 2.455 10.558 -6.125 1.00 0.00 H new ATOM 1222 N THR A 76 1.700 9.849 0.540 1.00 0.00 N ATOM 1223 CA THR A 76 0.802 9.962 1.668 1.00 0.00 C ATOM 1224 C THR A 76 -0.654 10.011 1.213 1.00 0.00 C ATOM 1225 O THR A 76 -0.947 10.433 0.086 1.00 0.00 O ATOM 1226 CB THR A 76 1.118 11.220 2.497 1.00 0.00 C ATOM 1227 OG1 THR A 76 1.047 12.381 1.662 1.00 0.00 O ATOM 1228 CG2 THR A 76 2.501 11.122 3.105 1.00 0.00 C ATOM 0 H THR A 76 1.738 10.678 -0.054 1.00 0.00 H new ATOM 0 HA THR A 76 0.949 9.077 2.287 1.00 0.00 H new ATOM 0 HB THR A 76 0.384 11.299 3.299 1.00 0.00 H new ATOM 0 HG1 THR A 76 1.247 13.179 2.194 1.00 0.00 H new ATOM 0 HG21 THR A 76 2.707 12.020 3.687 1.00 0.00 H new ATOM 0 HG22 THR A 76 2.552 10.248 3.755 1.00 0.00 H new ATOM 0 HG23 THR A 76 3.242 11.027 2.311 1.00 0.00 H new ATOM 1236 N PRO A 77 -1.589 9.586 2.087 1.00 0.00 N ATOM 1237 CA PRO A 77 -3.027 9.582 1.784 1.00 0.00 C ATOM 1238 C PRO A 77 -3.552 10.986 1.496 1.00 0.00 C ATOM 1239 O PRO A 77 -4.481 11.177 0.707 1.00 0.00 O ATOM 1240 CB PRO A 77 -3.673 9.017 3.070 1.00 0.00 C ATOM 1241 CG PRO A 77 -2.637 9.167 4.130 1.00 0.00 C ATOM 1242 CD PRO A 77 -1.311 9.068 3.440 1.00 0.00 C ATOM 0 HA PRO A 77 -3.254 8.997 0.893 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -4.580 9.564 3.327 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -3.956 7.972 2.942 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -2.739 10.125 4.640 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -2.740 8.390 4.887 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -0.549 9.659 3.948 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -0.950 8.040 3.410 1.00 0.00 H new ATOM 1250 N LYS A 78 -2.914 11.972 2.098 1.00 0.00 N ATOM 1251 CA LYS A 78 -3.331 13.356 1.965 1.00 0.00 C ATOM 1252 C LYS A 78 -2.882 13.924 0.623 1.00 0.00 C ATOM 1253 O LYS A 78 -3.590 14.697 -0.011 1.00 0.00 O ATOM 1254 CB LYS A 78 -2.755 14.209 3.113 1.00 0.00 C ATOM 1255 CG LYS A 78 -1.234 14.249 3.150 1.00 0.00 C ATOM 1256 CD LYS A 78 -0.721 15.530 3.781 1.00 0.00 C ATOM 1257 CE LYS A 78 0.795 15.532 3.867 1.00 0.00 C ATOM 1258 NZ LYS A 78 1.318 16.811 4.407 1.00 0.00 N ATOM 0 H LYS A 78 -2.095 11.838 2.691 1.00 0.00 H new ATOM 0 HA LYS A 78 -4.419 13.388 2.015 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -3.133 15.227 3.021 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -3.121 13.818 4.062 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -0.861 13.392 3.711 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -0.843 14.161 2.136 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -1.056 16.386 3.195 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -1.144 15.642 4.779 1.00 0.00 H new ATOM 0 HE2 LYS A 78 1.123 14.709 4.502 1.00 0.00 H new ATOM 0 HE3 LYS A 78 1.215 15.358 2.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 2.356 16.771 4.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 1.027 17.594 3.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 0.938 16.965 5.363 1.00 0.00 H new ATOM 1272 N GLU A 79 -1.709 13.507 0.177 1.00 0.00 N ATOM 1273 CA GLU A 79 -1.129 14.016 -1.047 1.00 0.00 C ATOM 1274 C GLU A 79 -1.781 13.371 -2.261 1.00 0.00 C ATOM 1275 O GLU A 79 -1.829 13.947 -3.342 1.00 0.00 O ATOM 1276 CB GLU A 79 0.367 13.739 -1.048 1.00 0.00 C ATOM 1277 CG GLU A 79 1.114 14.377 -2.202 1.00 0.00 C ATOM 1278 CD GLU A 79 1.064 15.893 -2.149 1.00 0.00 C ATOM 1279 OE1 GLU A 79 1.634 16.474 -1.208 1.00 0.00 O ATOM 1280 OE2 GLU A 79 0.460 16.508 -3.054 1.00 0.00 O ATOM 0 H GLU A 79 -1.137 12.809 0.653 1.00 0.00 H new ATOM 0 HA GLU A 79 -1.302 15.091 -1.100 1.00 0.00 H new ATOM 0 HB2 GLU A 79 0.793 14.098 -0.111 1.00 0.00 H new ATOM 0 HB3 GLU A 79 0.526 12.661 -1.078 1.00 0.00 H new ATOM 0 HG2 GLU A 79 2.153 14.049 -2.186 1.00 0.00 H new ATOM 0 HG3 GLU A 79 0.686 14.034 -3.144 1.00 0.00 H new ATOM 1287 N LEU A 80 -2.288 12.172 -2.076 1.00 0.00 N ATOM 1288 CA LEU A 80 -2.925 11.438 -3.154 1.00 0.00 C ATOM 1289 C LEU A 80 -4.326 11.942 -3.412 1.00 0.00 C ATOM 1290 O LEU A 80 -4.937 11.609 -4.425 1.00 0.00 O ATOM 1291 CB LEU A 80 -2.972 9.964 -2.813 1.00 0.00 C ATOM 1292 CG LEU A 80 -1.629 9.269 -2.750 1.00 0.00 C ATOM 1293 CD1 LEU A 80 -1.751 7.980 -1.979 1.00 0.00 C ATOM 1294 CD2 LEU A 80 -1.107 9.005 -4.152 1.00 0.00 C ATOM 0 H LEU A 80 -2.272 11.679 -1.183 1.00 0.00 H new ATOM 0 HA LEU A 80 -2.336 11.591 -4.058 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.468 9.847 -1.850 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.590 9.457 -3.554 1.00 0.00 H new ATOM 0 HG LEU A 80 -0.919 9.917 -2.235 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.780 7.487 -1.939 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.092 8.193 -0.966 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.470 7.327 -2.474 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.140 8.505 -4.092 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.812 8.370 -4.689 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.994 9.951 -4.682 1.00 0.00 H new ATOM 1306 N GLY A 81 -4.849 12.748 -2.499 1.00 0.00 N ATOM 1307 CA GLY A 81 -6.183 13.261 -2.682 1.00 0.00 C ATOM 1308 C GLY A 81 -7.246 12.242 -2.328 1.00 0.00 C ATOM 1309 O GLY A 81 -8.396 12.376 -2.731 1.00 0.00 O ATOM 0 H GLY A 81 -4.377 13.050 -1.647 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -6.316 14.150 -2.065 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -6.311 13.571 -3.719 1.00 0.00 H new ATOM 1313 N MET A 82 -6.870 11.209 -1.583 1.00 0.00 N ATOM 1314 CA MET A 82 -7.813 10.158 -1.236 1.00 0.00 C ATOM 1315 C MET A 82 -8.234 10.266 0.225 1.00 0.00 C ATOM 1316 O MET A 82 -7.664 11.054 0.988 1.00 0.00 O ATOM 1317 CB MET A 82 -7.254 8.770 -1.581 1.00 0.00 C ATOM 1318 CG MET A 82 -5.869 8.463 -1.035 1.00 0.00 C ATOM 1319 SD MET A 82 -5.892 7.869 0.655 1.00 0.00 S ATOM 1320 CE MET A 82 -4.607 6.625 0.568 1.00 0.00 C ATOM 0 H MET A 82 -5.929 11.079 -1.212 1.00 0.00 H new ATOM 0 HA MET A 82 -8.711 10.292 -1.840 1.00 0.00 H new ATOM 0 HB2 MET A 82 -7.947 8.016 -1.207 1.00 0.00 H new ATOM 0 HB3 MET A 82 -7.227 8.669 -2.666 1.00 0.00 H new ATOM 0 HG2 MET A 82 -5.393 7.715 -1.670 1.00 0.00 H new ATOM 0 HG3 MET A 82 -5.257 9.363 -1.089 1.00 0.00 H new ATOM 0 HE1 MET A 82 -4.342 6.305 1.576 1.00 0.00 H new ATOM 0 HE2 MET A 82 -4.968 5.769 -0.002 1.00 0.00 H new ATOM 0 HE3 MET A 82 -3.728 7.043 0.077 1.00 0.00 H new ATOM 1330 N GLU A 83 -9.228 9.489 0.621 1.00 0.00 N ATOM 1331 CA GLU A 83 -9.785 9.600 1.964 1.00 0.00 C ATOM 1332 C GLU A 83 -10.067 8.223 2.579 1.00 0.00 C ATOM 1333 O GLU A 83 -9.515 7.215 2.154 1.00 0.00 O ATOM 1334 CB GLU A 83 -11.065 10.443 1.906 1.00 0.00 C ATOM 1335 CG GLU A 83 -12.092 9.925 0.912 1.00 0.00 C ATOM 1336 CD GLU A 83 -13.265 10.856 0.751 1.00 0.00 C ATOM 1337 OE1 GLU A 83 -13.203 11.751 -0.121 1.00 0.00 O ATOM 1338 OE2 GLU A 83 -14.256 10.704 1.492 1.00 0.00 O ATOM 0 H GLU A 83 -9.666 8.777 0.037 1.00 0.00 H new ATOM 0 HA GLU A 83 -9.052 10.088 2.607 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -11.515 10.473 2.898 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -10.803 11.468 1.644 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -11.613 9.779 -0.056 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -12.450 8.949 1.241 1.00 0.00 H new ATOM 1345 N GLU A 84 -10.920 8.187 3.603 1.00 0.00 N ATOM 1346 CA GLU A 84 -11.254 6.946 4.281 1.00 0.00 C ATOM 1347 C GLU A 84 -12.081 6.026 3.390 1.00 0.00 C ATOM 1348 O GLU A 84 -12.735 6.475 2.437 1.00 0.00 O ATOM 1349 CB GLU A 84 -11.988 7.225 5.597 1.00 0.00 C ATOM 1350 CG GLU A 84 -13.255 8.043 5.443 1.00 0.00 C ATOM 1351 CD GLU A 84 -13.867 8.403 6.775 1.00 0.00 C ATOM 1352 OE1 GLU A 84 -14.451 7.517 7.422 1.00 0.00 O ATOM 1353 OE2 GLU A 84 -13.765 9.574 7.186 1.00 0.00 O ATOM 0 H GLU A 84 -11.391 9.010 3.978 1.00 0.00 H new ATOM 0 HA GLU A 84 -10.319 6.435 4.508 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.238 6.275 6.069 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.312 7.748 6.273 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -13.032 8.955 4.889 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -13.979 7.481 4.853 1.00 0.00 H new ATOM 1360 N GLU A 85 -12.056 4.734 3.718 1.00 0.00 N ATOM 1361 CA GLU A 85 -12.742 3.690 2.972 1.00 0.00 C ATOM 1362 C GLU A 85 -12.292 3.681 1.510 1.00 0.00 C ATOM 1363 O GLU A 85 -13.035 3.292 0.610 1.00 0.00 O ATOM 1364 CB GLU A 85 -14.261 3.862 3.088 1.00 0.00 C ATOM 1365 CG GLU A 85 -15.051 2.613 2.741 1.00 0.00 C ATOM 1366 CD GLU A 85 -16.522 2.778 2.999 1.00 0.00 C ATOM 1367 OE1 GLU A 85 -16.950 2.589 4.151 1.00 0.00 O ATOM 1368 OE2 GLU A 85 -17.262 3.100 2.050 1.00 0.00 O ATOM 0 H GLU A 85 -11.546 4.381 4.528 1.00 0.00 H new ATOM 0 HA GLU A 85 -12.478 2.724 3.403 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -14.506 4.163 4.107 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -14.576 4.673 2.431 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -14.894 2.367 1.691 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -14.674 1.773 3.325 1.00 0.00 H new ATOM 1375 N ASP A 86 -11.053 4.086 1.274 1.00 0.00 N ATOM 1376 CA ASP A 86 -10.533 4.157 -0.072 1.00 0.00 C ATOM 1377 C ASP A 86 -9.971 2.827 -0.513 1.00 0.00 C ATOM 1378 O ASP A 86 -9.719 1.937 0.308 1.00 0.00 O ATOM 1379 CB ASP A 86 -9.466 5.223 -0.178 1.00 0.00 C ATOM 1380 CG ASP A 86 -9.754 6.183 -1.312 1.00 0.00 C ATOM 1381 OD1 ASP A 86 -9.618 5.782 -2.486 1.00 0.00 O ATOM 1382 OD2 ASP A 86 -10.159 7.344 -1.032 1.00 0.00 O ATOM 0 H ASP A 86 -10.394 4.369 2.000 1.00 0.00 H new ATOM 0 HA ASP A 86 -11.362 4.417 -0.730 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -9.406 5.774 0.761 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -8.495 4.753 -0.335 1.00 0.00 H new ATOM 1387 N VAL A 87 -9.766 2.685 -1.803 1.00 0.00 N ATOM 1388 CA VAL A 87 -9.245 1.461 -2.354 1.00 0.00 C ATOM 1389 C VAL A 87 -7.995 1.725 -3.200 1.00 0.00 C ATOM 1390 O VAL A 87 -7.904 2.718 -3.922 1.00 0.00 O ATOM 1391 CB VAL A 87 -10.321 0.715 -3.196 1.00 0.00 C ATOM 1392 CG1 VAL A 87 -10.804 1.575 -4.354 1.00 0.00 C ATOM 1393 CG2 VAL A 87 -9.801 -0.627 -3.697 1.00 0.00 C ATOM 0 H VAL A 87 -9.955 3.411 -2.493 1.00 0.00 H new ATOM 0 HA VAL A 87 -8.965 0.821 -1.517 1.00 0.00 H new ATOM 0 HB VAL A 87 -11.171 0.520 -2.543 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -11.555 1.028 -4.925 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -11.242 2.495 -3.966 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -9.962 1.819 -5.002 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -10.576 -1.122 -4.281 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -8.923 -0.466 -4.322 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -9.532 -1.253 -2.847 1.00 0.00 H new ATOM 1403 N ILE A 88 -7.036 0.832 -3.096 1.00 0.00 N ATOM 1404 CA ILE A 88 -5.802 0.931 -3.853 1.00 0.00 C ATOM 1405 C ILE A 88 -5.648 -0.326 -4.692 1.00 0.00 C ATOM 1406 O ILE A 88 -6.090 -1.412 -4.288 1.00 0.00 O ATOM 1407 CB ILE A 88 -4.560 1.086 -2.935 1.00 0.00 C ATOM 1408 CG1 ILE A 88 -4.767 2.213 -1.901 1.00 0.00 C ATOM 1409 CG2 ILE A 88 -3.309 1.343 -3.766 1.00 0.00 C ATOM 1410 CD1 ILE A 88 -4.864 3.599 -2.499 1.00 0.00 C ATOM 0 H ILE A 88 -7.087 0.016 -2.486 1.00 0.00 H new ATOM 0 HA ILE A 88 -5.859 1.821 -4.480 1.00 0.00 H new ATOM 0 HB ILE A 88 -4.428 0.152 -2.389 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -5.677 2.009 -1.337 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -3.941 2.194 -1.190 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.449 1.449 -3.105 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -3.145 0.506 -4.444 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -3.438 2.258 -4.344 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -5.009 4.329 -1.703 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -3.945 3.828 -3.039 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -5.708 3.640 -3.187 1.00 0.00 H new ATOM 1422 N GLU A 89 -5.033 -0.203 -5.848 1.00 0.00 N ATOM 1423 CA GLU A 89 -4.893 -1.325 -6.743 1.00 0.00 C ATOM 1424 C GLU A 89 -3.434 -1.743 -6.861 1.00 0.00 C ATOM 1425 O GLU A 89 -2.552 -0.922 -7.116 1.00 0.00 O ATOM 1426 CB GLU A 89 -5.465 -0.972 -8.108 1.00 0.00 C ATOM 1427 CG GLU A 89 -6.799 -0.251 -8.026 1.00 0.00 C ATOM 1428 CD GLU A 89 -7.499 -0.157 -9.358 1.00 0.00 C ATOM 1429 OE1 GLU A 89 -8.177 -1.133 -9.750 1.00 0.00 O ATOM 1430 OE2 GLU A 89 -7.380 0.892 -10.025 1.00 0.00 O ATOM 0 H GLU A 89 -4.622 0.666 -6.189 1.00 0.00 H new ATOM 0 HA GLU A 89 -5.450 -2.169 -6.337 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -4.752 -0.345 -8.643 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -5.587 -1.885 -8.691 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -7.444 -0.771 -7.318 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -6.640 0.753 -7.633 1.00 0.00 H new ATOM 1437 N VAL A 90 -3.178 -3.012 -6.665 1.00 0.00 N ATOM 1438 CA VAL A 90 -1.834 -3.536 -6.738 1.00 0.00 C ATOM 1439 C VAL A 90 -1.646 -4.329 -8.018 1.00 0.00 C ATOM 1440 O VAL A 90 -2.309 -5.341 -8.247 1.00 0.00 O ATOM 1441 CB VAL A 90 -1.508 -4.423 -5.517 1.00 0.00 C ATOM 1442 CG1 VAL A 90 -0.114 -4.996 -5.624 1.00 0.00 C ATOM 1443 CG2 VAL A 90 -1.655 -3.630 -4.238 1.00 0.00 C ATOM 0 H VAL A 90 -3.891 -3.710 -6.451 1.00 0.00 H new ATOM 0 HA VAL A 90 -1.147 -2.689 -6.735 1.00 0.00 H new ATOM 0 HB VAL A 90 -2.215 -5.252 -5.499 1.00 0.00 H new ATOM 0 HG11 VAL A 90 0.092 -5.617 -4.752 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -0.038 -5.602 -6.527 1.00 0.00 H new ATOM 0 HG13 VAL A 90 0.611 -4.183 -5.670 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -1.422 -4.268 -3.385 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -0.970 -2.782 -4.255 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -2.679 -3.267 -4.151 1.00 0.00 H new ATOM 1453 N TYR A 91 -0.747 -3.866 -8.856 1.00 0.00 N ATOM 1454 CA TYR A 91 -0.503 -4.500 -10.137 1.00 0.00 C ATOM 1455 C TYR A 91 0.804 -5.251 -10.121 1.00 0.00 C ATOM 1456 O TYR A 91 1.811 -4.744 -9.635 1.00 0.00 O ATOM 1457 CB TYR A 91 -0.471 -3.454 -11.241 1.00 0.00 C ATOM 1458 CG TYR A 91 -1.749 -2.671 -11.382 1.00 0.00 C ATOM 1459 CD1 TYR A 91 -1.990 -1.562 -10.589 1.00 0.00 C ATOM 1460 CD2 TYR A 91 -2.710 -3.034 -12.311 1.00 0.00 C ATOM 1461 CE1 TYR A 91 -3.148 -0.836 -10.716 1.00 0.00 C ATOM 1462 CE2 TYR A 91 -3.878 -2.310 -12.442 1.00 0.00 C ATOM 1463 CZ TYR A 91 -4.088 -1.211 -11.640 1.00 0.00 C ATOM 1464 OH TYR A 91 -5.242 -0.481 -11.767 1.00 0.00 O ATOM 0 H TYR A 91 -0.167 -3.047 -8.674 1.00 0.00 H new ATOM 0 HA TYR A 91 -1.313 -5.205 -10.326 1.00 0.00 H new ATOM 0 HB2 TYR A 91 0.348 -2.761 -11.047 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -0.253 -3.947 -12.188 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -1.254 -1.263 -9.858 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -2.543 -3.895 -12.941 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -3.318 0.028 -10.090 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -4.621 -2.604 -13.168 1.00 0.00 H new ATOM 0 HH TYR A 91 -5.363 0.081 -10.973 1.00 0.00 H new ATOM 1474 N GLN A 92 0.801 -6.451 -10.665 1.00 0.00 N ATOM 1475 CA GLN A 92 2.002 -7.262 -10.717 1.00 0.00 C ATOM 1476 C GLN A 92 2.887 -6.800 -11.863 1.00 0.00 C ATOM 1477 O GLN A 92 2.475 -6.796 -13.026 1.00 0.00 O ATOM 1478 CB GLN A 92 1.642 -8.745 -10.874 1.00 0.00 C ATOM 1479 CG GLN A 92 2.688 -9.726 -10.321 1.00 0.00 C ATOM 1480 CD GLN A 92 3.992 -9.741 -11.099 1.00 0.00 C ATOM 1481 OE1 GLN A 92 4.013 -9.528 -12.311 1.00 0.00 O ATOM 1482 NE2 GLN A 92 5.085 -9.994 -10.404 1.00 0.00 N ATOM 0 H GLN A 92 -0.022 -6.888 -11.079 1.00 0.00 H new ATOM 0 HA GLN A 92 2.550 -7.144 -9.782 1.00 0.00 H new ATOM 0 HB2 GLN A 92 0.692 -8.928 -10.372 1.00 0.00 H new ATOM 0 HB3 GLN A 92 1.490 -8.957 -11.932 1.00 0.00 H new ATOM 0 HG2 GLN A 92 2.899 -9.469 -9.283 1.00 0.00 H new ATOM 0 HG3 GLN A 92 2.265 -10.731 -10.321 1.00 0.00 H new ATOM 0 HE21 GLN A 92 5.023 -10.165 -9.400 1.00 0.00 H new ATOM 0 HE22 GLN A 92 5.992 -10.018 -10.870 1.00 0.00 H new ATOM 1491 N GLU A 93 4.091 -6.397 -11.526 1.00 0.00 N ATOM 1492 CA GLU A 93 5.070 -5.939 -12.488 1.00 0.00 C ATOM 1493 C GLU A 93 6.372 -5.707 -11.774 1.00 0.00 C ATOM 1494 O GLU A 93 6.428 -4.956 -10.797 1.00 0.00 O ATOM 1495 CB GLU A 93 4.611 -4.660 -13.184 1.00 0.00 C ATOM 1496 CG GLU A 93 5.601 -4.122 -14.205 1.00 0.00 C ATOM 1497 CD GLU A 93 5.150 -2.817 -14.815 1.00 0.00 C ATOM 1498 OE1 GLU A 93 4.309 -2.845 -15.739 1.00 0.00 O ATOM 1499 OE2 GLU A 93 5.638 -1.755 -14.372 1.00 0.00 O ATOM 0 H GLU A 93 4.424 -6.378 -10.562 1.00 0.00 H new ATOM 0 HA GLU A 93 5.195 -6.700 -13.258 1.00 0.00 H new ATOM 0 HB2 GLU A 93 3.660 -4.850 -13.681 1.00 0.00 H new ATOM 0 HB3 GLU A 93 4.429 -3.894 -12.430 1.00 0.00 H new ATOM 0 HG2 GLU A 93 6.570 -3.980 -13.727 1.00 0.00 H new ATOM 0 HG3 GLU A 93 5.740 -4.860 -14.995 1.00 0.00 H new ATOM 1506 N GLN A 94 7.416 -6.358 -12.244 1.00 0.00 N ATOM 1507 CA GLN A 94 8.726 -6.280 -11.616 1.00 0.00 C ATOM 1508 C GLN A 94 9.203 -4.837 -11.475 1.00 0.00 C ATOM 1509 O GLN A 94 8.928 -3.978 -12.325 1.00 0.00 O ATOM 1510 CB GLN A 94 9.757 -7.094 -12.409 1.00 0.00 C ATOM 1511 CG GLN A 94 10.063 -6.537 -13.791 1.00 0.00 C ATOM 1512 CD GLN A 94 11.182 -7.281 -14.487 1.00 0.00 C ATOM 1513 OE1 GLN A 94 12.357 -6.952 -14.322 1.00 0.00 O ATOM 1514 NE2 GLN A 94 10.832 -8.274 -15.274 1.00 0.00 N ATOM 0 H GLN A 94 7.384 -6.956 -13.070 1.00 0.00 H new ATOM 0 HA GLN A 94 8.628 -6.702 -10.616 1.00 0.00 H new ATOM 0 HB2 GLN A 94 10.683 -7.143 -11.836 1.00 0.00 H new ATOM 0 HB3 GLN A 94 9.393 -8.116 -12.514 1.00 0.00 H new ATOM 0 HG2 GLN A 94 9.164 -6.585 -14.405 1.00 0.00 H new ATOM 0 HG3 GLN A 94 10.332 -5.485 -13.702 1.00 0.00 H new ATOM 0 HE21 GLN A 94 9.847 -8.515 -15.384 1.00 0.00 H new ATOM 0 HE22 GLN A 94 11.545 -8.804 -15.775 1.00 0.00 H new ATOM 1523 N THR A 95 9.911 -4.571 -10.400 1.00 0.00 N ATOM 1524 CA THR A 95 10.457 -3.267 -10.146 1.00 0.00 C ATOM 1525 C THR A 95 11.979 -3.340 -10.196 1.00 0.00 C ATOM 1526 O THR A 95 12.578 -4.323 -9.739 1.00 0.00 O ATOM 1527 CB THR A 95 9.995 -2.739 -8.771 1.00 0.00 C ATOM 1528 OG1 THR A 95 10.135 -3.773 -7.782 1.00 0.00 O ATOM 1529 CG2 THR A 95 8.544 -2.281 -8.824 1.00 0.00 C ATOM 0 H THR A 95 10.122 -5.259 -9.678 1.00 0.00 H new ATOM 0 HA THR A 95 10.099 -2.578 -10.911 1.00 0.00 H new ATOM 0 HB THR A 95 10.619 -1.886 -8.504 1.00 0.00 H new ATOM 0 HG1 THR A 95 9.278 -4.235 -7.668 1.00 0.00 H new ATOM 0 HG21 THR A 95 8.242 -1.913 -7.843 1.00 0.00 H new ATOM 0 HG22 THR A 95 8.441 -1.482 -9.558 1.00 0.00 H new ATOM 0 HG23 THR A 95 7.908 -3.119 -9.109 1.00 0.00 H new ATOM 1537 N GLY A 96 12.609 -2.337 -10.767 1.00 0.00 N ATOM 1538 CA GLY A 96 14.052 -2.350 -10.887 1.00 0.00 C ATOM 1539 C GLY A 96 14.494 -2.767 -12.272 1.00 0.00 C ATOM 1540 O GLY A 96 15.531 -3.411 -12.446 1.00 0.00 O ATOM 0 H GLY A 96 12.152 -1.510 -11.152 1.00 0.00 H new ATOM 0 HA2 GLY A 96 14.445 -1.358 -10.663 1.00 0.00 H new ATOM 0 HA3 GLY A 96 14.472 -3.034 -10.149 1.00 0.00 H new ATOM 1544 N GLY A 97 13.695 -2.422 -13.260 1.00 0.00 N ATOM 1545 CA GLY A 97 14.022 -2.741 -14.625 1.00 0.00 C ATOM 1546 C GLY A 97 14.656 -1.567 -15.324 1.00 0.00 C ATOM 1547 O GLY A 97 13.919 -0.737 -15.888 1.00 0.00 O ATOM 1548 OXT GLY A 97 15.895 -1.454 -15.299 1.00 0.00 O ATOM 0 H GLY A 97 12.815 -1.921 -13.139 1.00 0.00 H new ATOM 0 HA2 GLY A 97 14.702 -3.592 -14.649 1.00 0.00 H new ATOM 0 HA3 GLY A 97 13.119 -3.040 -15.157 1.00 0.00 H new TER 1552 GLY A 97