USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 822 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 67 LYS NZ :NH3+ -146:sc= 1.89 (180deg=-2.57!) USER MOD Set 1.2: A 85 SER OG : rot -140:sc= 0.838 USER MOD Set 2.1: A 64 TYR OH : rot 180:sc=-0.00376 USER MOD Set 2.2: A 72 MET CE :methyl -155:sc= -0.368 (180deg=-1.34) USER MOD Set 3.1: A 49 TYR OH : rot -94:sc= 1.67 USER MOD Set 3.2: A 55 TYR OH : rot 45:sc= -1.3! USER MOD Single : A 1 HIS : no HE2:sc= 1 K(o=1,f=-5.3!) USER MOD Single : A 1 HIS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0719) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl -173:sc= -3.27 (180deg=-3.29) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -172:sc= -0.622 (180deg=-0.772) USER MOD Single : A 28 TYR OH : rot 30:sc= -0.755 USER MOD Single : A 31 TYR OH : rot 180:sc= -0.148 USER MOD Single : A 32 SER OG : rot 180:sc= -0.0111 USER MOD Single : A 36 LYS NZ :NH3+ -159:sc= 1.16 (180deg=0.655) USER MOD Single : A 40 THR OG1 : rot 75:sc= 0.838 USER MOD Single : A 41 MET CE :methyl -156:sc= -0.173 (180deg=-1.54) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 160:sc= 0.298 USER MOD Single : A 56 LYS NZ :NH3+ -170:sc= 1.97 (180deg=1.75) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot -2:sc= 1.24 USER MOD Single : A 81 MET CE :methyl -179:sc= -1.19 (180deg=-1.19) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.0254 USER MOD Single : A 86 CYS SG : rot -49:sc= -4.76! USER MOD Single : A 87 LYS NZ :NH3+ 155:sc= 1.24 (180deg=0.982) USER MOD Single : A 92 MET CE :methyl 170:sc= -1.07 (180deg=-1.48) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot -19:sc= 0.158 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 CYS SG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 49:sc= 1.02 USER MOD Single : A 107 HIS : no HD1:sc= -0.0005 X(o=-0.0005,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 28.308 -3.122 0.951 1.00 0.00 N ATOM 2 CA HIS A 1 27.026 -2.386 1.061 1.00 0.00 C ATOM 3 C HIS A 1 26.913 -1.336 -0.038 1.00 0.00 C ATOM 4 O HIS A 1 26.940 -0.131 0.229 1.00 0.00 O ATOM 5 CB HIS A 1 26.889 -1.714 2.434 1.00 0.00 C ATOM 6 CG HIS A 1 26.690 -2.670 3.574 1.00 0.00 C ATOM 7 ND1 HIS A 1 25.454 -3.156 3.948 1.00 0.00 N ATOM 8 CD2 HIS A 1 27.578 -3.222 4.434 1.00 0.00 C ATOM 9 CE1 HIS A 1 25.594 -3.960 4.985 1.00 0.00 C ATOM 10 NE2 HIS A 1 26.874 -4.018 5.300 1.00 0.00 N ATOM 0 H1 HIS A 1 28.366 -3.833 1.708 1.00 0.00 H new ATOM 0 H2 HIS A 1 28.358 -3.596 0.027 1.00 0.00 H new ATOM 0 H3 HIS A 1 29.100 -2.454 1.041 1.00 0.00 H new ATOM 0 HA HIS A 1 26.220 -3.110 0.947 1.00 0.00 H new ATOM 0 HB2 HIS A 1 27.783 -1.120 2.625 1.00 0.00 H new ATOM 0 HB3 HIS A 1 26.047 -1.022 2.404 1.00 0.00 H new ATOM 0 HD1 HIS A 1 24.569 -2.929 3.494 1.00 0.00 H new ATOM 0 HD2 HIS A 1 28.646 -3.064 4.437 1.00 0.00 H new ATOM 0 HE1 HIS A 1 24.795 -4.482 5.491 1.00 0.00 H new ATOM 21 N GLU A 2 26.789 -1.798 -1.273 1.00 0.00 N ATOM 22 CA GLU A 2 26.635 -0.913 -2.415 1.00 0.00 C ATOM 23 C GLU A 2 25.164 -0.812 -2.789 1.00 0.00 C ATOM 24 O GLU A 2 24.633 -1.690 -3.472 1.00 0.00 O ATOM 25 CB GLU A 2 27.447 -1.429 -3.603 1.00 0.00 C ATOM 26 CG GLU A 2 28.929 -1.575 -3.304 1.00 0.00 C ATOM 27 CD GLU A 2 29.726 -1.998 -4.515 1.00 0.00 C ATOM 28 OE1 GLU A 2 30.195 -1.113 -5.259 1.00 0.00 O ATOM 29 OE2 GLU A 2 29.896 -3.215 -4.731 1.00 0.00 O ATOM 0 H GLU A 2 26.792 -2.790 -1.510 1.00 0.00 H new ATOM 0 HA GLU A 2 27.006 0.077 -2.149 1.00 0.00 H new ATOM 0 HB2 GLU A 2 27.050 -2.396 -3.913 1.00 0.00 H new ATOM 0 HB3 GLU A 2 27.319 -0.748 -4.444 1.00 0.00 H new ATOM 0 HG2 GLU A 2 29.316 -0.626 -2.932 1.00 0.00 H new ATOM 0 HG3 GLU A 2 29.065 -2.309 -2.509 1.00 0.00 H new ATOM 36 N ALA A 3 24.520 0.255 -2.320 1.00 0.00 N ATOM 37 CA ALA A 3 23.086 0.453 -2.511 1.00 0.00 C ATOM 38 C ALA A 3 22.305 -0.674 -1.844 1.00 0.00 C ATOM 39 O ALA A 3 21.837 -1.607 -2.506 1.00 0.00 O ATOM 40 CB ALA A 3 22.737 0.564 -3.990 1.00 0.00 C ATOM 0 H ALA A 3 24.976 1.004 -1.799 1.00 0.00 H new ATOM 0 HA ALA A 3 22.803 1.394 -2.039 1.00 0.00 H new ATOM 0 HB1 ALA A 3 21.663 0.711 -4.100 1.00 0.00 H new ATOM 0 HB2 ALA A 3 23.266 1.412 -4.426 1.00 0.00 H new ATOM 0 HB3 ALA A 3 23.033 -0.351 -4.503 1.00 0.00 H new ATOM 46 N ASP A 4 22.189 -0.579 -0.523 1.00 0.00 N ATOM 47 CA ASP A 4 21.532 -1.605 0.281 1.00 0.00 C ATOM 48 C ASP A 4 20.091 -1.823 -0.151 1.00 0.00 C ATOM 49 O ASP A 4 19.277 -0.896 -0.144 1.00 0.00 O ATOM 50 CB ASP A 4 21.569 -1.244 1.771 1.00 0.00 C ATOM 51 CG ASP A 4 22.894 -1.576 2.428 1.00 0.00 C ATOM 52 OD1 ASP A 4 23.805 -0.725 2.413 1.00 0.00 O ATOM 53 OD2 ASP A 4 23.027 -2.695 2.973 1.00 0.00 O ATOM 0 H ASP A 4 22.546 0.208 0.019 1.00 0.00 H new ATOM 0 HA ASP A 4 22.084 -2.531 0.122 1.00 0.00 H new ATOM 0 HB2 ASP A 4 21.370 -0.179 1.886 1.00 0.00 H new ATOM 0 HB3 ASP A 4 20.770 -1.776 2.288 1.00 0.00 H new ATOM 58 N VAL A 5 19.787 -3.057 -0.530 1.00 0.00 N ATOM 59 CA VAL A 5 18.432 -3.437 -0.885 1.00 0.00 C ATOM 60 C VAL A 5 17.593 -3.616 0.379 1.00 0.00 C ATOM 61 O VAL A 5 17.743 -4.593 1.120 1.00 0.00 O ATOM 62 CB VAL A 5 18.408 -4.723 -1.756 1.00 0.00 C ATOM 63 CG1 VAL A 5 19.225 -5.846 -1.125 1.00 0.00 C ATOM 64 CG2 VAL A 5 16.976 -5.174 -2.006 1.00 0.00 C ATOM 0 H VAL A 5 20.467 -3.814 -0.599 1.00 0.00 H new ATOM 0 HA VAL A 5 17.999 -2.636 -1.484 1.00 0.00 H new ATOM 0 HB VAL A 5 18.869 -4.481 -2.714 1.00 0.00 H new ATOM 0 HG11 VAL A 5 19.184 -6.729 -1.763 1.00 0.00 H new ATOM 0 HG12 VAL A 5 20.261 -5.525 -1.015 1.00 0.00 H new ATOM 0 HG13 VAL A 5 18.815 -6.088 -0.145 1.00 0.00 H new ATOM 0 HG21 VAL A 5 16.980 -6.076 -2.618 1.00 0.00 H new ATOM 0 HG22 VAL A 5 16.489 -5.384 -1.054 1.00 0.00 H new ATOM 0 HG23 VAL A 5 16.432 -4.386 -2.526 1.00 0.00 H new ATOM 74 N GLY A 6 16.725 -2.652 0.640 1.00 0.00 N ATOM 75 CA GLY A 6 15.958 -2.667 1.867 1.00 0.00 C ATOM 76 C GLY A 6 16.662 -1.904 2.966 1.00 0.00 C ATOM 77 O GLY A 6 17.883 -1.733 2.934 1.00 0.00 O ATOM 0 H GLY A 6 16.538 -1.860 0.025 1.00 0.00 H new ATOM 0 HA2 GLY A 6 14.976 -2.229 1.689 1.00 0.00 H new ATOM 0 HA3 GLY A 6 15.795 -3.697 2.184 1.00 0.00 H new ATOM 81 N GLY A 7 15.897 -1.423 3.921 1.00 0.00 N ATOM 82 CA GLY A 7 16.450 -0.638 4.997 1.00 0.00 C ATOM 83 C GLY A 7 15.361 0.010 5.809 1.00 0.00 C ATOM 84 O GLY A 7 15.532 0.281 6.998 1.00 0.00 O ATOM 0 H GLY A 7 14.888 -1.563 3.972 1.00 0.00 H new ATOM 0 HA2 GLY A 7 17.058 -1.274 5.640 1.00 0.00 H new ATOM 0 HA3 GLY A 7 17.110 0.128 4.591 1.00 0.00 H new ATOM 88 N ILE A 8 14.233 0.262 5.160 1.00 0.00 N ATOM 89 CA ILE A 8 13.067 0.771 5.844 1.00 0.00 C ATOM 90 C ILE A 8 11.947 -0.246 5.724 1.00 0.00 C ATOM 91 O ILE A 8 11.324 -0.389 4.668 1.00 0.00 O ATOM 92 CB ILE A 8 12.596 2.134 5.292 1.00 0.00 C ATOM 93 CG1 ILE A 8 13.639 3.210 5.562 1.00 0.00 C ATOM 94 CG2 ILE A 8 11.273 2.536 5.914 1.00 0.00 C ATOM 95 CD1 ILE A 8 14.771 3.211 4.573 1.00 0.00 C ATOM 0 H ILE A 8 14.107 0.120 4.158 1.00 0.00 H new ATOM 0 HA ILE A 8 13.337 0.931 6.888 1.00 0.00 H new ATOM 0 HB ILE A 8 12.462 2.032 4.215 1.00 0.00 H new ATOM 0 HG12 ILE A 8 13.154 4.186 5.548 1.00 0.00 H new ATOM 0 HG13 ILE A 8 14.043 3.069 6.564 1.00 0.00 H new ATOM 0 HG21 ILE A 8 10.959 3.499 5.511 1.00 0.00 H new ATOM 0 HG22 ILE A 8 10.519 1.783 5.684 1.00 0.00 H new ATOM 0 HG23 ILE A 8 11.388 2.615 6.995 1.00 0.00 H new ATOM 0 HD11 ILE A 8 15.475 4.003 4.827 1.00 0.00 H new ATOM 0 HD12 ILE A 8 15.281 2.248 4.603 1.00 0.00 H new ATOM 0 HD13 ILE A 8 14.378 3.382 3.571 1.00 0.00 H new ATOM 107 N PHE A 9 11.688 -0.934 6.814 1.00 0.00 N ATOM 108 CA PHE A 9 10.787 -2.073 6.794 1.00 0.00 C ATOM 109 C PHE A 9 9.398 -1.677 7.253 1.00 0.00 C ATOM 110 O PHE A 9 9.238 -0.856 8.159 1.00 0.00 O ATOM 111 CB PHE A 9 11.338 -3.200 7.670 1.00 0.00 C ATOM 112 CG PHE A 9 12.702 -3.664 7.244 1.00 0.00 C ATOM 113 CD1 PHE A 9 12.861 -4.420 6.095 1.00 0.00 C ATOM 114 CD2 PHE A 9 13.825 -3.336 7.988 1.00 0.00 C ATOM 115 CE1 PHE A 9 14.114 -4.842 5.694 1.00 0.00 C ATOM 116 CE2 PHE A 9 15.080 -3.757 7.593 1.00 0.00 C ATOM 117 CZ PHE A 9 15.224 -4.509 6.444 1.00 0.00 C ATOM 0 H PHE A 9 12.088 -0.727 7.729 1.00 0.00 H new ATOM 0 HA PHE A 9 10.713 -2.430 5.767 1.00 0.00 H new ATOM 0 HB2 PHE A 9 11.383 -2.859 8.704 1.00 0.00 H new ATOM 0 HB3 PHE A 9 10.649 -4.044 7.642 1.00 0.00 H new ATOM 0 HD1 PHE A 9 11.995 -4.683 5.505 1.00 0.00 H new ATOM 0 HD2 PHE A 9 13.717 -2.745 8.886 1.00 0.00 H new ATOM 0 HE1 PHE A 9 14.225 -5.431 4.796 1.00 0.00 H new ATOM 0 HE2 PHE A 9 15.947 -3.498 8.182 1.00 0.00 H new ATOM 0 HZ PHE A 9 16.205 -4.837 6.132 1.00 0.00 H new ATOM 127 N VAL A 10 8.400 -2.261 6.618 1.00 0.00 N ATOM 128 CA VAL A 10 7.014 -1.993 6.952 1.00 0.00 C ATOM 129 C VAL A 10 6.337 -3.263 7.418 1.00 0.00 C ATOM 130 O VAL A 10 6.620 -4.357 6.923 1.00 0.00 O ATOM 131 CB VAL A 10 6.214 -1.455 5.753 1.00 0.00 C ATOM 132 CG1 VAL A 10 5.374 -0.250 6.146 1.00 0.00 C ATOM 133 CG2 VAL A 10 7.130 -1.122 4.591 1.00 0.00 C ATOM 0 H VAL A 10 8.526 -2.931 5.860 1.00 0.00 H new ATOM 0 HA VAL A 10 7.028 -1.238 7.738 1.00 0.00 H new ATOM 0 HB VAL A 10 5.534 -2.243 5.430 1.00 0.00 H new ATOM 0 HG11 VAL A 10 4.821 0.107 5.277 1.00 0.00 H new ATOM 0 HG12 VAL A 10 4.673 -0.535 6.930 1.00 0.00 H new ATOM 0 HG13 VAL A 10 6.025 0.544 6.512 1.00 0.00 H new ATOM 0 HG21 VAL A 10 6.538 -0.744 3.758 1.00 0.00 H new ATOM 0 HG22 VAL A 10 7.848 -0.362 4.900 1.00 0.00 H new ATOM 0 HG23 VAL A 10 7.663 -2.020 4.279 1.00 0.00 H new ATOM 143 N LYS A 11 5.436 -3.112 8.355 1.00 0.00 N ATOM 144 CA LYS A 11 4.644 -4.221 8.834 1.00 0.00 C ATOM 145 C LYS A 11 3.273 -4.127 8.203 1.00 0.00 C ATOM 146 O LYS A 11 2.647 -3.075 8.251 1.00 0.00 O ATOM 147 CB LYS A 11 4.536 -4.177 10.358 1.00 0.00 C ATOM 148 CG LYS A 11 5.870 -3.953 11.047 1.00 0.00 C ATOM 149 CD LYS A 11 5.724 -3.893 12.556 1.00 0.00 C ATOM 150 CE LYS A 11 7.005 -3.408 13.215 1.00 0.00 C ATOM 151 NZ LYS A 11 8.182 -4.228 12.820 1.00 0.00 N ATOM 0 H LYS A 11 5.230 -2.221 8.807 1.00 0.00 H new ATOM 0 HA LYS A 11 5.116 -5.165 8.561 1.00 0.00 H new ATOM 0 HB2 LYS A 11 3.849 -3.381 10.644 1.00 0.00 H new ATOM 0 HB3 LYS A 11 4.104 -5.113 10.712 1.00 0.00 H new ATOM 0 HG2 LYS A 11 6.556 -4.757 10.780 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.313 -3.024 10.688 1.00 0.00 H new ATOM 0 HD2 LYS A 11 4.903 -3.226 12.818 1.00 0.00 H new ATOM 0 HD3 LYS A 11 5.467 -4.881 12.938 1.00 0.00 H new ATOM 0 HE2 LYS A 11 7.181 -2.367 12.943 1.00 0.00 H new ATOM 0 HE3 LYS A 11 6.889 -3.439 14.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 8.997 -3.975 13.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 7.961 -5.236 12.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 8.413 -4.046 11.822 1.00 0.00 H new ATOM 165 N VAL A 12 2.818 -5.212 7.598 1.00 0.00 N ATOM 166 CA VAL A 12 1.539 -5.197 6.894 1.00 0.00 C ATOM 167 C VAL A 12 0.612 -6.296 7.402 1.00 0.00 C ATOM 168 O VAL A 12 0.975 -7.474 7.473 1.00 0.00 O ATOM 169 CB VAL A 12 1.741 -5.300 5.351 1.00 0.00 C ATOM 170 CG1 VAL A 12 3.161 -5.722 5.032 1.00 0.00 C ATOM 171 CG2 VAL A 12 0.740 -6.247 4.686 1.00 0.00 C ATOM 0 H VAL A 12 3.307 -6.107 7.578 1.00 0.00 H new ATOM 0 HA VAL A 12 1.061 -4.240 7.103 1.00 0.00 H new ATOM 0 HB VAL A 12 1.558 -4.307 4.940 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.286 -5.790 3.951 1.00 0.00 H new ATOM 0 HG12 VAL A 12 3.858 -4.986 5.433 1.00 0.00 H new ATOM 0 HG13 VAL A 12 3.361 -6.694 5.482 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.928 -6.280 3.613 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.852 -7.247 5.104 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.274 -5.890 4.866 1.00 0.00 H new ATOM 181 N SER A 13 -0.581 -5.882 7.784 1.00 0.00 N ATOM 182 CA SER A 13 -1.599 -6.789 8.273 1.00 0.00 C ATOM 183 C SER A 13 -2.803 -6.760 7.346 1.00 0.00 C ATOM 184 O SER A 13 -3.066 -5.747 6.695 1.00 0.00 O ATOM 185 CB SER A 13 -2.014 -6.391 9.687 1.00 0.00 C ATOM 186 OG SER A 13 -0.895 -6.362 10.556 1.00 0.00 O ATOM 0 H SER A 13 -0.871 -4.904 7.763 1.00 0.00 H new ATOM 0 HA SER A 13 -1.195 -7.801 8.297 1.00 0.00 H new ATOM 0 HB2 SER A 13 -2.489 -5.410 9.668 1.00 0.00 H new ATOM 0 HB3 SER A 13 -2.754 -7.097 10.065 1.00 0.00 H new ATOM 0 HG SER A 13 -1.186 -6.103 11.455 1.00 0.00 H new ATOM 192 N MET A 14 -3.519 -7.872 7.277 1.00 0.00 N ATOM 193 CA MET A 14 -4.687 -7.975 6.420 1.00 0.00 C ATOM 194 C MET A 14 -5.965 -7.822 7.230 1.00 0.00 C ATOM 195 O MET A 14 -5.956 -7.987 8.453 1.00 0.00 O ATOM 196 CB MET A 14 -4.700 -9.320 5.689 1.00 0.00 C ATOM 197 CG MET A 14 -3.555 -9.505 4.706 1.00 0.00 C ATOM 198 SD MET A 14 -3.431 -8.165 3.513 1.00 0.00 S ATOM 199 CE MET A 14 -5.133 -8.067 2.966 1.00 0.00 C ATOM 0 H MET A 14 -3.309 -8.718 7.807 1.00 0.00 H new ATOM 0 HA MET A 14 -4.636 -7.171 5.686 1.00 0.00 H new ATOM 0 HB2 MET A 14 -4.665 -10.122 6.426 1.00 0.00 H new ATOM 0 HB3 MET A 14 -5.644 -9.421 5.153 1.00 0.00 H new ATOM 0 HG2 MET A 14 -2.618 -9.581 5.258 1.00 0.00 H new ATOM 0 HG3 MET A 14 -3.689 -10.447 4.174 1.00 0.00 H new ATOM 0 HE1 MET A 14 -5.208 -7.368 2.133 1.00 0.00 H new ATOM 0 HE2 MET A 14 -5.469 -9.053 2.644 1.00 0.00 H new ATOM 0 HE3 MET A 14 -5.760 -7.721 3.788 1.00 0.00 H new ATOM 209 N ASP A 15 -7.057 -7.498 6.551 1.00 0.00 N ATOM 210 CA ASP A 15 -8.359 -7.423 7.200 1.00 0.00 C ATOM 211 C ASP A 15 -9.406 -8.128 6.349 1.00 0.00 C ATOM 212 O ASP A 15 -9.328 -8.123 5.118 1.00 0.00 O ATOM 213 CB ASP A 15 -8.778 -5.975 7.448 1.00 0.00 C ATOM 214 CG ASP A 15 -9.838 -5.871 8.528 1.00 0.00 C ATOM 215 OD1 ASP A 15 -11.035 -6.021 8.211 1.00 0.00 O ATOM 216 OD2 ASP A 15 -9.474 -5.660 9.706 1.00 0.00 O ATOM 0 H ASP A 15 -7.068 -7.283 5.554 1.00 0.00 H new ATOM 0 HA ASP A 15 -8.281 -7.920 8.167 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.906 -5.389 7.738 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -9.159 -5.543 6.522 1.00 0.00 H new ATOM 221 N GLY A 16 -10.373 -8.736 7.016 1.00 0.00 N ATOM 222 CA GLY A 16 -11.372 -9.555 6.355 1.00 0.00 C ATOM 223 C GLY A 16 -10.903 -10.987 6.245 1.00 0.00 C ATOM 224 O GLY A 16 -11.688 -11.929 6.355 1.00 0.00 O ATOM 0 H GLY A 16 -10.486 -8.675 8.028 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -12.308 -9.516 6.912 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -11.576 -9.157 5.361 1.00 0.00 H new ATOM 228 N ALA A 17 -9.605 -11.143 6.055 1.00 0.00 N ATOM 229 CA ALA A 17 -8.951 -12.434 6.153 1.00 0.00 C ATOM 230 C ALA A 17 -7.663 -12.287 6.945 1.00 0.00 C ATOM 231 O ALA A 17 -6.934 -11.311 6.771 1.00 0.00 O ATOM 232 CB ALA A 17 -8.669 -13.018 4.782 1.00 0.00 C ATOM 0 H ALA A 17 -8.974 -10.375 5.828 1.00 0.00 H new ATOM 0 HA ALA A 17 -9.619 -13.124 6.669 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.179 -13.985 4.892 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -9.607 -13.146 4.241 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -8.019 -12.343 4.226 1.00 0.00 H new ATOM 238 N PRO A 18 -7.373 -13.239 7.832 1.00 0.00 N ATOM 239 CA PRO A 18 -6.191 -13.177 8.690 1.00 0.00 C ATOM 240 C PRO A 18 -4.904 -13.536 7.949 1.00 0.00 C ATOM 241 O PRO A 18 -4.800 -14.609 7.349 1.00 0.00 O ATOM 242 CB PRO A 18 -6.497 -14.224 9.758 1.00 0.00 C ATOM 243 CG PRO A 18 -7.352 -15.225 9.058 1.00 0.00 C ATOM 244 CD PRO A 18 -8.172 -14.454 8.065 1.00 0.00 C ATOM 0 HA PRO A 18 -6.017 -12.173 9.078 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -5.584 -14.680 10.142 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -7.016 -13.784 10.610 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -6.741 -15.977 8.558 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -7.992 -15.753 9.765 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -8.323 -15.018 7.145 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -9.160 -14.216 8.459 1.00 0.00 H new ATOM 252 N TYR A 19 -3.927 -12.642 8.009 1.00 0.00 N ATOM 253 CA TYR A 19 -2.602 -12.887 7.445 1.00 0.00 C ATOM 254 C TYR A 19 -1.569 -12.088 8.205 1.00 0.00 C ATOM 255 O TYR A 19 -1.906 -11.174 8.958 1.00 0.00 O ATOM 256 CB TYR A 19 -2.514 -12.507 5.961 1.00 0.00 C ATOM 257 CG TYR A 19 -3.382 -13.321 5.029 1.00 0.00 C ATOM 258 CD1 TYR A 19 -3.014 -14.602 4.637 1.00 0.00 C ATOM 259 CD2 TYR A 19 -4.563 -12.795 4.530 1.00 0.00 C ATOM 260 CE1 TYR A 19 -3.805 -15.337 3.774 1.00 0.00 C ATOM 261 CE2 TYR A 19 -5.360 -13.523 3.671 1.00 0.00 C ATOM 262 CZ TYR A 19 -4.978 -14.792 3.294 1.00 0.00 C ATOM 263 OH TYR A 19 -5.773 -15.516 2.434 1.00 0.00 O ATOM 0 H TYR A 19 -4.028 -11.727 8.449 1.00 0.00 H new ATOM 0 HA TYR A 19 -2.414 -13.957 7.533 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -2.784 -11.456 5.856 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -1.477 -12.603 5.640 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -2.096 -15.030 5.012 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -4.864 -11.799 4.818 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -3.507 -16.332 3.477 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -6.280 -13.100 3.295 1.00 0.00 H new ATOM 0 HH TYR A 19 -6.561 -14.986 2.193 1.00 0.00 H new ATOM 273 N LEU A 20 -0.317 -12.435 8.002 1.00 0.00 N ATOM 274 CA LEU A 20 0.775 -11.719 8.614 1.00 0.00 C ATOM 275 C LEU A 20 1.891 -11.548 7.597 1.00 0.00 C ATOM 276 O LEU A 20 2.595 -12.500 7.265 1.00 0.00 O ATOM 277 CB LEU A 20 1.261 -12.496 9.829 1.00 0.00 C ATOM 278 CG LEU A 20 1.697 -11.656 11.035 1.00 0.00 C ATOM 279 CD1 LEU A 20 2.892 -10.785 10.689 1.00 0.00 C ATOM 280 CD2 LEU A 20 0.542 -10.800 11.539 1.00 0.00 C ATOM 0 H LEU A 20 -0.031 -13.216 7.412 1.00 0.00 H new ATOM 0 HA LEU A 20 0.448 -10.732 8.940 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.464 -13.167 10.148 1.00 0.00 H new ATOM 0 HB3 LEU A 20 2.101 -13.120 9.524 1.00 0.00 H new ATOM 0 HG LEU A 20 1.994 -12.339 11.830 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.181 -10.200 11.562 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.726 -11.417 10.384 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.628 -10.113 9.873 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.872 -10.211 12.395 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.211 -10.131 10.745 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.285 -11.444 11.839 1.00 0.00 H new ATOM 292 N ARG A 21 2.035 -10.337 7.093 1.00 0.00 N ATOM 293 CA ARG A 21 3.012 -10.054 6.049 1.00 0.00 C ATOM 294 C ARG A 21 3.927 -8.907 6.464 1.00 0.00 C ATOM 295 O ARG A 21 3.562 -8.086 7.308 1.00 0.00 O ATOM 296 CB ARG A 21 2.301 -9.702 4.739 1.00 0.00 C ATOM 297 CG ARG A 21 1.340 -10.774 4.238 1.00 0.00 C ATOM 298 CD ARG A 21 2.065 -12.066 3.891 1.00 0.00 C ATOM 299 NE ARG A 21 3.094 -11.870 2.867 1.00 0.00 N ATOM 300 CZ ARG A 21 3.355 -12.746 1.895 1.00 0.00 C ATOM 301 NH1 ARG A 21 2.665 -13.879 1.808 1.00 0.00 N ATOM 302 NH2 ARG A 21 4.312 -12.491 1.012 1.00 0.00 N ATOM 0 H ARG A 21 1.488 -9.529 7.388 1.00 0.00 H new ATOM 0 HA ARG A 21 3.618 -10.947 5.898 1.00 0.00 H new ATOM 0 HB2 ARG A 21 1.749 -8.772 4.877 1.00 0.00 H new ATOM 0 HB3 ARG A 21 3.051 -9.516 3.971 1.00 0.00 H new ATOM 0 HG2 ARG A 21 0.588 -10.973 5.001 1.00 0.00 H new ATOM 0 HG3 ARG A 21 0.812 -10.406 3.358 1.00 0.00 H new ATOM 0 HD2 ARG A 21 2.525 -12.475 4.791 1.00 0.00 H new ATOM 0 HD3 ARG A 21 1.342 -12.802 3.540 1.00 0.00 H new ATOM 0 HE ARG A 21 3.644 -11.012 2.899 1.00 0.00 H new ATOM 0 HH11 ARG A 21 1.931 -14.083 2.487 1.00 0.00 H new ATOM 0 HH12 ARG A 21 2.869 -14.545 1.063 1.00 0.00 H new ATOM 0 HH21 ARG A 21 4.848 -11.626 1.076 1.00 0.00 H new ATOM 0 HH22 ARG A 21 4.512 -13.160 0.269 1.00 0.00 H new ATOM 316 N LYS A 22 5.124 -8.864 5.892 1.00 0.00 N ATOM 317 CA LYS A 22 6.047 -7.754 6.112 1.00 0.00 C ATOM 318 C LYS A 22 6.888 -7.531 4.860 1.00 0.00 C ATOM 319 O LYS A 22 7.296 -8.491 4.201 1.00 0.00 O ATOM 320 CB LYS A 22 6.969 -8.022 7.307 1.00 0.00 C ATOM 321 CG LYS A 22 6.248 -8.509 8.551 1.00 0.00 C ATOM 322 CD LYS A 22 6.262 -7.482 9.662 1.00 0.00 C ATOM 323 CE LYS A 22 5.151 -7.762 10.655 1.00 0.00 C ATOM 324 NZ LYS A 22 3.804 -7.596 10.039 1.00 0.00 N ATOM 0 H LYS A 22 5.481 -9.588 5.269 1.00 0.00 H new ATOM 0 HA LYS A 22 5.458 -6.863 6.329 1.00 0.00 H new ATOM 0 HB2 LYS A 22 7.714 -8.764 7.018 1.00 0.00 H new ATOM 0 HB3 LYS A 22 7.508 -7.106 7.548 1.00 0.00 H new ATOM 0 HG2 LYS A 22 5.216 -8.753 8.298 1.00 0.00 H new ATOM 0 HG3 LYS A 22 6.716 -9.428 8.903 1.00 0.00 H new ATOM 0 HD2 LYS A 22 7.226 -7.500 10.171 1.00 0.00 H new ATOM 0 HD3 LYS A 22 6.141 -6.483 9.244 1.00 0.00 H new ATOM 0 HE2 LYS A 22 5.253 -8.777 11.038 1.00 0.00 H new ATOM 0 HE3 LYS A 22 5.247 -7.089 11.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 3.074 -7.662 10.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 3.746 -6.666 9.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 3.651 -8.344 9.333 1.00 0.00 H new ATOM 338 N ILE A 23 7.132 -6.270 4.527 1.00 0.00 N ATOM 339 CA ILE A 23 7.904 -5.914 3.339 1.00 0.00 C ATOM 340 C ILE A 23 8.732 -4.664 3.571 1.00 0.00 C ATOM 341 O ILE A 23 8.627 -4.018 4.609 1.00 0.00 O ATOM 342 CB ILE A 23 7.012 -5.687 2.100 1.00 0.00 C ATOM 343 CG1 ILE A 23 5.779 -4.873 2.475 1.00 0.00 C ATOM 344 CG2 ILE A 23 6.631 -7.005 1.457 1.00 0.00 C ATOM 345 CD1 ILE A 23 4.694 -4.863 1.415 1.00 0.00 C ATOM 0 H ILE A 23 6.804 -5.469 5.067 1.00 0.00 H new ATOM 0 HA ILE A 23 8.559 -6.764 3.148 1.00 0.00 H new ATOM 0 HB ILE A 23 7.580 -5.118 1.364 1.00 0.00 H new ATOM 0 HG12 ILE A 23 5.363 -5.270 3.401 1.00 0.00 H new ATOM 0 HG13 ILE A 23 6.083 -3.846 2.677 1.00 0.00 H new ATOM 0 HG21 ILE A 23 6.003 -6.817 0.586 1.00 0.00 H new ATOM 0 HG22 ILE A 23 7.533 -7.532 1.146 1.00 0.00 H new ATOM 0 HG23 ILE A 23 6.083 -7.615 2.175 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.853 -4.262 1.761 1.00 0.00 H new ATOM 0 HD12 ILE A 23 5.090 -4.437 0.493 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.358 -5.883 1.228 1.00 0.00 H new ATOM 357 N ASP A 24 9.560 -4.351 2.594 1.00 0.00 N ATOM 358 CA ASP A 24 10.406 -3.158 2.636 1.00 0.00 C ATOM 359 C ASP A 24 10.000 -2.212 1.519 1.00 0.00 C ATOM 360 O ASP A 24 9.678 -2.645 0.415 1.00 0.00 O ATOM 361 CB ASP A 24 11.884 -3.525 2.489 1.00 0.00 C ATOM 362 CG ASP A 24 12.788 -2.303 2.515 1.00 0.00 C ATOM 363 OD1 ASP A 24 12.911 -1.616 1.477 1.00 0.00 O ATOM 364 OD2 ASP A 24 13.393 -2.030 3.570 1.00 0.00 O ATOM 0 H ASP A 24 9.671 -4.910 1.748 1.00 0.00 H new ATOM 0 HA ASP A 24 10.271 -2.672 3.602 1.00 0.00 H new ATOM 0 HB2 ASP A 24 12.169 -4.202 3.294 1.00 0.00 H new ATOM 0 HB3 ASP A 24 12.031 -4.063 1.552 1.00 0.00 H new ATOM 369 N LEU A 25 10.006 -0.921 1.821 1.00 0.00 N ATOM 370 CA LEU A 25 9.497 0.085 0.895 1.00 0.00 C ATOM 371 C LEU A 25 10.441 0.317 -0.277 1.00 0.00 C ATOM 372 O LEU A 25 10.027 0.334 -1.433 1.00 0.00 O ATOM 373 CB LEU A 25 9.293 1.408 1.625 1.00 0.00 C ATOM 374 CG LEU A 25 8.302 1.382 2.787 1.00 0.00 C ATOM 375 CD1 LEU A 25 8.593 2.515 3.752 1.00 0.00 C ATOM 376 CD2 LEU A 25 6.869 1.482 2.282 1.00 0.00 C ATOM 0 H LEU A 25 10.358 -0.544 2.701 1.00 0.00 H new ATOM 0 HA LEU A 25 8.550 -0.290 0.505 1.00 0.00 H new ATOM 0 HB2 LEU A 25 10.258 1.745 2.003 1.00 0.00 H new ATOM 0 HB3 LEU A 25 8.957 2.152 0.902 1.00 0.00 H new ATOM 0 HG LEU A 25 8.417 0.432 3.309 1.00 0.00 H new ATOM 0 HD11 LEU A 25 7.879 2.484 4.575 1.00 0.00 H new ATOM 0 HD12 LEU A 25 9.604 2.408 4.145 1.00 0.00 H new ATOM 0 HD13 LEU A 25 8.505 3.468 3.231 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.183 1.461 3.129 1.00 0.00 H new ATOM 0 HD22 LEU A 25 6.741 2.415 1.734 1.00 0.00 H new ATOM 0 HD23 LEU A 25 6.656 0.641 1.622 1.00 0.00 H new ATOM 388 N ARG A 26 11.716 0.488 0.031 1.00 0.00 N ATOM 389 CA ARG A 26 12.674 0.947 -0.957 1.00 0.00 C ATOM 390 C ARG A 26 13.198 -0.173 -1.852 1.00 0.00 C ATOM 391 O ARG A 26 13.845 0.100 -2.863 1.00 0.00 O ATOM 392 CB ARG A 26 13.802 1.722 -0.289 1.00 0.00 C ATOM 393 CG ARG A 26 14.756 0.896 0.550 1.00 0.00 C ATOM 394 CD ARG A 26 15.680 1.805 1.343 1.00 0.00 C ATOM 395 NE ARG A 26 16.770 1.073 1.978 1.00 0.00 N ATOM 396 CZ ARG A 26 17.836 1.650 2.531 1.00 0.00 C ATOM 397 NH1 ARG A 26 17.961 2.972 2.530 1.00 0.00 N ATOM 398 NH2 ARG A 26 18.781 0.899 3.082 1.00 0.00 N ATOM 0 H ARG A 26 12.110 0.316 0.956 1.00 0.00 H new ATOM 0 HA ARG A 26 12.143 1.625 -1.625 1.00 0.00 H new ATOM 0 HB2 ARG A 26 14.376 2.233 -1.062 1.00 0.00 H new ATOM 0 HB3 ARG A 26 13.364 2.493 0.344 1.00 0.00 H new ATOM 0 HG2 ARG A 26 14.193 0.256 1.229 1.00 0.00 H new ATOM 0 HG3 ARG A 26 15.343 0.240 -0.093 1.00 0.00 H new ATOM 0 HD2 ARG A 26 16.094 2.565 0.680 1.00 0.00 H new ATOM 0 HD3 ARG A 26 15.104 2.328 2.106 1.00 0.00 H new ATOM 0 HE ARG A 26 16.713 0.055 2.000 1.00 0.00 H new ATOM 0 HH11 ARG A 26 17.238 3.552 2.104 1.00 0.00 H new ATOM 0 HH12 ARG A 26 18.780 3.407 2.955 1.00 0.00 H new ATOM 0 HH21 ARG A 26 18.690 -0.117 3.081 1.00 0.00 H new ATOM 0 HH22 ARG A 26 19.598 1.338 3.506 1.00 0.00 H new ATOM 412 N VAL A 27 12.926 -1.428 -1.496 1.00 0.00 N ATOM 413 CA VAL A 27 13.346 -2.556 -2.336 1.00 0.00 C ATOM 414 C VAL A 27 12.653 -2.523 -3.694 1.00 0.00 C ATOM 415 O VAL A 27 13.104 -3.158 -4.650 1.00 0.00 O ATOM 416 CB VAL A 27 13.078 -3.934 -1.682 1.00 0.00 C ATOM 417 CG1 VAL A 27 13.870 -4.092 -0.399 1.00 0.00 C ATOM 418 CG2 VAL A 27 11.594 -4.141 -1.427 1.00 0.00 C ATOM 0 H VAL A 27 12.425 -1.690 -0.647 1.00 0.00 H new ATOM 0 HA VAL A 27 14.423 -2.439 -2.459 1.00 0.00 H new ATOM 0 HB VAL A 27 13.410 -4.701 -2.381 1.00 0.00 H new ATOM 0 HG11 VAL A 27 13.663 -5.068 0.039 1.00 0.00 H new ATOM 0 HG12 VAL A 27 14.935 -4.011 -0.616 1.00 0.00 H new ATOM 0 HG13 VAL A 27 13.583 -3.311 0.305 1.00 0.00 H new ATOM 0 HG21 VAL A 27 11.436 -5.117 -0.967 1.00 0.00 H new ATOM 0 HG22 VAL A 27 11.227 -3.362 -0.759 1.00 0.00 H new ATOM 0 HG23 VAL A 27 11.052 -4.093 -2.372 1.00 0.00 H new ATOM 428 N TYR A 28 11.564 -1.770 -3.786 1.00 0.00 N ATOM 429 CA TYR A 28 10.800 -1.705 -5.018 1.00 0.00 C ATOM 430 C TYR A 28 11.398 -0.687 -5.973 1.00 0.00 C ATOM 431 O TYR A 28 11.284 -0.815 -7.189 1.00 0.00 O ATOM 432 CB TYR A 28 9.351 -1.335 -4.721 1.00 0.00 C ATOM 433 CG TYR A 28 8.706 -2.237 -3.703 1.00 0.00 C ATOM 434 CD1 TYR A 28 8.749 -3.614 -3.848 1.00 0.00 C ATOM 435 CD2 TYR A 28 8.049 -1.712 -2.602 1.00 0.00 C ATOM 436 CE1 TYR A 28 8.158 -4.444 -2.923 1.00 0.00 C ATOM 437 CE2 TYR A 28 7.453 -2.537 -1.669 1.00 0.00 C ATOM 438 CZ TYR A 28 7.510 -3.902 -1.837 1.00 0.00 C ATOM 439 OH TYR A 28 6.918 -4.731 -0.918 1.00 0.00 O ATOM 0 H TYR A 28 11.194 -1.200 -3.025 1.00 0.00 H new ATOM 0 HA TYR A 28 10.834 -2.688 -5.488 1.00 0.00 H new ATOM 0 HB2 TYR A 28 9.311 -0.306 -4.363 1.00 0.00 H new ATOM 0 HB3 TYR A 28 8.776 -1.372 -5.646 1.00 0.00 H new ATOM 0 HD1 TYR A 28 9.254 -4.043 -4.701 1.00 0.00 H new ATOM 0 HD2 TYR A 28 8.002 -0.641 -2.472 1.00 0.00 H new ATOM 0 HE1 TYR A 28 8.203 -5.516 -3.049 1.00 0.00 H new ATOM 0 HE2 TYR A 28 6.946 -2.115 -0.814 1.00 0.00 H new ATOM 0 HH TYR A 28 7.407 -5.579 -0.880 1.00 0.00 H new ATOM 449 N GLY A 29 12.050 0.316 -5.394 1.00 0.00 N ATOM 450 CA GLY A 29 12.757 1.322 -6.173 1.00 0.00 C ATOM 451 C GLY A 29 11.857 2.088 -7.127 1.00 0.00 C ATOM 452 O GLY A 29 12.342 2.752 -8.045 1.00 0.00 O ATOM 0 H GLY A 29 12.102 0.453 -4.385 1.00 0.00 H new ATOM 0 HA2 GLY A 29 13.237 2.026 -5.493 1.00 0.00 H new ATOM 0 HA3 GLY A 29 13.550 0.838 -6.743 1.00 0.00 H new ATOM 456 N GLY A 30 10.554 1.998 -6.913 1.00 0.00 N ATOM 457 CA GLY A 30 9.608 2.647 -7.790 1.00 0.00 C ATOM 458 C GLY A 30 8.229 2.044 -7.671 1.00 0.00 C ATOM 459 O GLY A 30 8.038 1.055 -6.960 1.00 0.00 O ATOM 0 H GLY A 30 10.134 1.482 -6.140 1.00 0.00 H new ATOM 0 HA2 GLY A 30 9.562 3.710 -7.552 1.00 0.00 H new ATOM 0 HA3 GLY A 30 9.953 2.566 -8.821 1.00 0.00 H new ATOM 463 N TYR A 31 7.271 2.631 -8.372 1.00 0.00 N ATOM 464 CA TYR A 31 5.880 2.206 -8.286 1.00 0.00 C ATOM 465 C TYR A 31 5.662 0.837 -8.914 1.00 0.00 C ATOM 466 O TYR A 31 4.795 0.090 -8.472 1.00 0.00 O ATOM 467 CB TYR A 31 4.969 3.231 -8.959 1.00 0.00 C ATOM 468 CG TYR A 31 5.097 4.610 -8.369 1.00 0.00 C ATOM 469 CD1 TYR A 31 4.984 4.803 -7.001 1.00 0.00 C ATOM 470 CD2 TYR A 31 5.351 5.710 -9.171 1.00 0.00 C ATOM 471 CE1 TYR A 31 5.115 6.058 -6.448 1.00 0.00 C ATOM 472 CE2 TYR A 31 5.488 6.971 -8.627 1.00 0.00 C ATOM 473 CZ TYR A 31 5.368 7.141 -7.265 1.00 0.00 C ATOM 474 OH TYR A 31 5.503 8.396 -6.720 1.00 0.00 O ATOM 0 H TYR A 31 7.432 3.409 -9.012 1.00 0.00 H new ATOM 0 HA TYR A 31 5.630 2.133 -7.227 1.00 0.00 H new ATOM 0 HB2 TYR A 31 5.203 3.274 -10.023 1.00 0.00 H new ATOM 0 HB3 TYR A 31 3.934 2.900 -8.874 1.00 0.00 H new ATOM 0 HD1 TYR A 31 4.790 3.957 -6.359 1.00 0.00 H new ATOM 0 HD2 TYR A 31 5.443 5.579 -10.239 1.00 0.00 H new ATOM 0 HE1 TYR A 31 5.020 6.194 -5.381 1.00 0.00 H new ATOM 0 HE2 TYR A 31 5.688 7.819 -9.265 1.00 0.00 H new ATOM 0 HH TYR A 31 5.679 9.045 -7.433 1.00 0.00 H new ATOM 484 N SER A 32 6.451 0.502 -9.928 1.00 0.00 N ATOM 485 CA SER A 32 6.241 -0.743 -10.663 1.00 0.00 C ATOM 486 C SER A 32 6.360 -1.956 -9.753 1.00 0.00 C ATOM 487 O SER A 32 5.439 -2.765 -9.661 1.00 0.00 O ATOM 488 CB SER A 32 7.241 -0.865 -11.808 1.00 0.00 C ATOM 489 OG SER A 32 8.567 -0.628 -11.357 1.00 0.00 O ATOM 0 H SER A 32 7.234 1.066 -10.259 1.00 0.00 H new ATOM 0 HA SER A 32 5.229 -0.714 -11.067 1.00 0.00 H new ATOM 0 HB2 SER A 32 7.176 -1.860 -12.247 1.00 0.00 H new ATOM 0 HB3 SER A 32 6.988 -0.153 -12.593 1.00 0.00 H new ATOM 0 HG SER A 32 9.189 -0.714 -12.110 1.00 0.00 H new ATOM 495 N GLU A 33 7.483 -2.065 -9.060 1.00 0.00 N ATOM 496 CA GLU A 33 7.703 -3.182 -8.161 1.00 0.00 C ATOM 497 C GLU A 33 6.824 -3.055 -6.930 1.00 0.00 C ATOM 498 O GLU A 33 6.452 -4.054 -6.324 1.00 0.00 O ATOM 499 CB GLU A 33 9.170 -3.281 -7.765 1.00 0.00 C ATOM 500 CG GLU A 33 10.083 -3.658 -8.919 1.00 0.00 C ATOM 501 CD GLU A 33 9.606 -4.894 -9.656 1.00 0.00 C ATOM 502 OE1 GLU A 33 9.717 -6.008 -9.099 1.00 0.00 O ATOM 503 OE2 GLU A 33 9.122 -4.759 -10.800 1.00 0.00 O ATOM 0 H GLU A 33 8.252 -1.396 -9.104 1.00 0.00 H new ATOM 0 HA GLU A 33 7.433 -4.098 -8.685 1.00 0.00 H new ATOM 0 HB2 GLU A 33 9.493 -2.325 -7.354 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.275 -4.021 -6.972 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.144 -2.823 -9.617 1.00 0.00 H new ATOM 0 HG3 GLU A 33 11.090 -3.831 -8.540 1.00 0.00 H new ATOM 510 N LEU A 34 6.497 -1.821 -6.567 1.00 0.00 N ATOM 511 CA LEU A 34 5.563 -1.569 -5.476 1.00 0.00 C ATOM 512 C LEU A 34 4.227 -2.238 -5.774 1.00 0.00 C ATOM 513 O LEU A 34 3.747 -3.067 -5.008 1.00 0.00 O ATOM 514 CB LEU A 34 5.346 -0.060 -5.309 1.00 0.00 C ATOM 515 CG LEU A 34 4.307 0.341 -4.261 1.00 0.00 C ATOM 516 CD1 LEU A 34 4.867 0.182 -2.855 1.00 0.00 C ATOM 517 CD2 LEU A 34 3.828 1.764 -4.502 1.00 0.00 C ATOM 0 H LEU A 34 6.864 -0.980 -7.011 1.00 0.00 H new ATOM 0 HA LEU A 34 5.979 -1.979 -4.556 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.299 0.400 -5.046 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.046 0.355 -6.271 1.00 0.00 H new ATOM 0 HG LEU A 34 3.449 -0.325 -4.355 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.110 0.473 -2.127 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.148 -0.858 -2.691 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.745 0.817 -2.739 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.089 2.032 -3.747 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.674 2.448 -4.441 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.377 1.833 -5.492 1.00 0.00 H new ATOM 529 N LEU A 35 3.665 -1.898 -6.924 1.00 0.00 N ATOM 530 CA LEU A 35 2.374 -2.406 -7.346 1.00 0.00 C ATOM 531 C LEU A 35 2.435 -3.905 -7.639 1.00 0.00 C ATOM 532 O LEU A 35 1.505 -4.652 -7.327 1.00 0.00 O ATOM 533 CB LEU A 35 1.917 -1.619 -8.572 1.00 0.00 C ATOM 534 CG LEU A 35 1.728 -0.117 -8.325 1.00 0.00 C ATOM 535 CD1 LEU A 35 1.579 0.639 -9.635 1.00 0.00 C ATOM 536 CD2 LEU A 35 0.522 0.128 -7.429 1.00 0.00 C ATOM 0 H LEU A 35 4.096 -1.259 -7.592 1.00 0.00 H new ATOM 0 HA LEU A 35 1.652 -2.274 -6.540 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.648 -1.755 -9.369 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.976 -2.038 -8.928 1.00 0.00 H new ATOM 0 HG LEU A 35 2.619 0.256 -7.820 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.446 1.701 -9.429 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.473 0.496 -10.242 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.710 0.263 -10.175 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.403 1.199 -7.264 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.374 -0.267 -7.908 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.672 -0.372 -6.472 1.00 0.00 H new ATOM 548 N LYS A 36 3.549 -4.337 -8.207 1.00 0.00 N ATOM 549 CA LYS A 36 3.744 -5.737 -8.564 1.00 0.00 C ATOM 550 C LYS A 36 3.917 -6.605 -7.322 1.00 0.00 C ATOM 551 O LYS A 36 3.529 -7.776 -7.311 1.00 0.00 O ATOM 552 CB LYS A 36 4.938 -5.891 -9.512 1.00 0.00 C ATOM 553 CG LYS A 36 4.597 -5.583 -10.960 1.00 0.00 C ATOM 554 CD LYS A 36 3.656 -6.623 -11.547 1.00 0.00 C ATOM 555 CE LYS A 36 3.117 -6.184 -12.897 1.00 0.00 C ATOM 556 NZ LYS A 36 2.287 -4.957 -12.781 1.00 0.00 N ATOM 0 H LYS A 36 4.340 -3.734 -8.433 1.00 0.00 H new ATOM 0 HA LYS A 36 2.849 -6.080 -9.084 1.00 0.00 H new ATOM 0 HB2 LYS A 36 5.740 -5.229 -9.186 1.00 0.00 H new ATOM 0 HB3 LYS A 36 5.318 -6.910 -9.444 1.00 0.00 H new ATOM 0 HG2 LYS A 36 4.136 -4.597 -11.024 1.00 0.00 H new ATOM 0 HG3 LYS A 36 5.513 -5.546 -11.550 1.00 0.00 H new ATOM 0 HD2 LYS A 36 4.182 -7.572 -11.655 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.827 -6.794 -10.861 1.00 0.00 H new ATOM 0 HE2 LYS A 36 3.947 -5.999 -13.579 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.521 -6.987 -13.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 1.660 -4.883 -13.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.714 -5.006 -11.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.906 -4.122 -12.740 1.00 0.00 H new ATOM 570 N ALA A 37 4.510 -6.033 -6.282 1.00 0.00 N ATOM 571 CA ALA A 37 4.663 -6.729 -5.014 1.00 0.00 C ATOM 572 C ALA A 37 3.307 -7.063 -4.416 1.00 0.00 C ATOM 573 O ALA A 37 3.100 -8.162 -3.922 1.00 0.00 O ATOM 574 CB ALA A 37 5.467 -5.897 -4.036 1.00 0.00 C ATOM 0 H ALA A 37 4.893 -5.088 -6.293 1.00 0.00 H new ATOM 0 HA ALA A 37 5.200 -7.658 -5.207 1.00 0.00 H new ATOM 0 HB1 ALA A 37 5.568 -6.438 -3.095 1.00 0.00 H new ATOM 0 HB2 ALA A 37 6.456 -5.703 -4.451 1.00 0.00 H new ATOM 0 HB3 ALA A 37 4.956 -4.951 -3.857 1.00 0.00 H new ATOM 580 N LEU A 38 2.382 -6.114 -4.484 1.00 0.00 N ATOM 581 CA LEU A 38 1.033 -6.316 -3.949 1.00 0.00 C ATOM 582 C LEU A 38 0.364 -7.454 -4.690 1.00 0.00 C ATOM 583 O LEU A 38 -0.171 -8.381 -4.081 1.00 0.00 O ATOM 584 CB LEU A 38 0.173 -5.068 -4.108 1.00 0.00 C ATOM 585 CG LEU A 38 0.931 -3.757 -4.251 1.00 0.00 C ATOM 586 CD1 LEU A 38 0.025 -2.695 -4.841 1.00 0.00 C ATOM 587 CD2 LEU A 38 1.490 -3.306 -2.909 1.00 0.00 C ATOM 0 H LEU A 38 2.537 -5.197 -4.903 1.00 0.00 H new ATOM 0 HA LEU A 38 1.128 -6.543 -2.887 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.462 -5.196 -4.984 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.487 -4.992 -3.244 1.00 0.00 H new ATOM 0 HG LEU A 38 1.772 -3.913 -4.927 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.577 -1.760 -4.940 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.322 -3.017 -5.823 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.832 -2.543 -4.185 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.028 -2.367 -3.036 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.672 -3.163 -2.203 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.171 -4.065 -2.525 1.00 0.00 H new ATOM 599 N GLU A 39 0.410 -7.365 -6.015 1.00 0.00 N ATOM 600 CA GLU A 39 -0.068 -8.434 -6.885 1.00 0.00 C ATOM 601 C GLU A 39 0.557 -9.772 -6.495 1.00 0.00 C ATOM 602 O GLU A 39 -0.052 -10.832 -6.658 1.00 0.00 O ATOM 603 CB GLU A 39 0.264 -8.118 -8.345 1.00 0.00 C ATOM 604 CG GLU A 39 -0.369 -6.835 -8.859 1.00 0.00 C ATOM 605 CD GLU A 39 -0.068 -6.585 -10.324 1.00 0.00 C ATOM 606 OE1 GLU A 39 -0.589 -7.334 -11.180 1.00 0.00 O ATOM 607 OE2 GLU A 39 0.692 -5.645 -10.635 1.00 0.00 O ATOM 0 H GLU A 39 0.777 -6.555 -6.514 1.00 0.00 H new ATOM 0 HA GLU A 39 -1.149 -8.506 -6.769 1.00 0.00 H new ATOM 0 HB2 GLU A 39 1.346 -8.046 -8.453 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -0.064 -8.949 -8.970 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -1.449 -6.884 -8.716 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -0.007 -5.993 -8.268 1.00 0.00 H new ATOM 614 N THR A 40 1.773 -9.708 -5.976 1.00 0.00 N ATOM 615 CA THR A 40 2.485 -10.888 -5.520 1.00 0.00 C ATOM 616 C THR A 40 1.951 -11.385 -4.169 1.00 0.00 C ATOM 617 O THR A 40 1.744 -12.584 -3.978 1.00 0.00 O ATOM 618 CB THR A 40 3.990 -10.580 -5.392 1.00 0.00 C ATOM 619 OG1 THR A 40 4.564 -10.367 -6.691 1.00 0.00 O ATOM 620 CG2 THR A 40 4.722 -11.695 -4.665 1.00 0.00 C ATOM 0 H THR A 40 2.292 -8.838 -5.860 1.00 0.00 H new ATOM 0 HA THR A 40 2.328 -11.673 -6.259 1.00 0.00 H new ATOM 0 HB THR A 40 4.100 -9.670 -4.802 1.00 0.00 H new ATOM 0 HG1 THR A 40 4.296 -9.486 -7.027 1.00 0.00 H new ATOM 0 HG21 THR A 40 5.781 -11.447 -4.591 1.00 0.00 H new ATOM 0 HG22 THR A 40 4.306 -11.811 -3.664 1.00 0.00 H new ATOM 0 HG23 THR A 40 4.605 -12.627 -5.217 1.00 0.00 H new ATOM 628 N MET A 41 1.706 -10.444 -3.261 1.00 0.00 N ATOM 629 CA MET A 41 1.439 -10.748 -1.854 1.00 0.00 C ATOM 630 C MET A 41 0.289 -11.735 -1.667 1.00 0.00 C ATOM 631 O MET A 41 0.461 -12.802 -1.082 1.00 0.00 O ATOM 632 CB MET A 41 1.087 -9.453 -1.118 1.00 0.00 C ATOM 633 CG MET A 41 2.175 -8.393 -1.155 1.00 0.00 C ATOM 634 SD MET A 41 3.463 -8.653 0.078 1.00 0.00 S ATOM 635 CE MET A 41 2.581 -8.215 1.572 1.00 0.00 C ATOM 0 H MET A 41 1.687 -9.448 -3.478 1.00 0.00 H new ATOM 0 HA MET A 41 2.342 -11.207 -1.451 1.00 0.00 H new ATOM 0 HB2 MET A 41 0.178 -9.038 -1.553 1.00 0.00 H new ATOM 0 HB3 MET A 41 0.863 -9.690 -0.078 1.00 0.00 H new ATOM 0 HG2 MET A 41 2.628 -8.381 -2.147 1.00 0.00 H new ATOM 0 HG3 MET A 41 1.724 -7.413 -0.998 1.00 0.00 H new ATOM 0 HE1 MET A 41 3.293 -7.909 2.339 1.00 0.00 H new ATOM 0 HE2 MET A 41 1.897 -7.392 1.363 1.00 0.00 H new ATOM 0 HE3 MET A 41 2.014 -9.076 1.926 1.00 0.00 H new ATOM 645 N PHE A 42 -0.875 -11.377 -2.179 1.00 0.00 N ATOM 646 CA PHE A 42 -2.072 -12.203 -2.017 1.00 0.00 C ATOM 647 C PHE A 42 -2.443 -12.894 -3.317 1.00 0.00 C ATOM 648 O PHE A 42 -3.520 -13.477 -3.437 1.00 0.00 O ATOM 649 CB PHE A 42 -3.245 -11.359 -1.510 1.00 0.00 C ATOM 650 CG PHE A 42 -2.921 -9.899 -1.421 1.00 0.00 C ATOM 651 CD1 PHE A 42 -3.021 -9.084 -2.535 1.00 0.00 C ATOM 652 CD2 PHE A 42 -2.497 -9.345 -0.227 1.00 0.00 C ATOM 653 CE1 PHE A 42 -2.700 -7.749 -2.463 1.00 0.00 C ATOM 654 CE2 PHE A 42 -2.178 -8.009 -0.148 1.00 0.00 C ATOM 655 CZ PHE A 42 -2.279 -7.209 -1.272 1.00 0.00 C ATOM 0 H PHE A 42 -1.023 -10.520 -2.712 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.848 -12.971 -1.277 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -4.098 -11.496 -2.175 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -3.546 -11.719 -0.526 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -3.355 -9.502 -3.473 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -2.415 -9.967 0.652 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -2.779 -7.126 -3.342 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -1.849 -7.586 0.790 1.00 0.00 H new ATOM 0 HZ PHE A 42 -2.027 -6.160 -1.213 1.00 0.00 H new ATOM 665 N LYS A 43 -1.536 -12.814 -4.281 1.00 0.00 N ATOM 666 CA LYS A 43 -1.686 -13.506 -5.561 1.00 0.00 C ATOM 667 C LYS A 43 -2.912 -13.018 -6.340 1.00 0.00 C ATOM 668 O LYS A 43 -3.649 -13.817 -6.924 1.00 0.00 O ATOM 669 CB LYS A 43 -1.771 -15.026 -5.350 1.00 0.00 C ATOM 670 CG LYS A 43 -0.566 -15.631 -4.639 1.00 0.00 C ATOM 671 CD LYS A 43 -0.840 -15.896 -3.165 1.00 0.00 C ATOM 672 CE LYS A 43 0.269 -16.731 -2.544 1.00 0.00 C ATOM 673 NZ LYS A 43 0.057 -16.960 -1.090 1.00 0.00 N ATOM 0 H LYS A 43 -0.677 -12.270 -4.202 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.801 -13.274 -6.153 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.668 -15.251 -4.774 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.886 -15.509 -6.320 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.289 -16.565 -5.129 1.00 0.00 H new ATOM 0 HG3 LYS A 43 0.285 -14.957 -4.733 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.928 -14.949 -2.632 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.793 -16.413 -3.056 1.00 0.00 H new ATOM 0 HE2 LYS A 43 0.328 -17.692 -3.056 1.00 0.00 H new ATOM 0 HE3 LYS A 43 1.225 -16.231 -2.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 0.838 -17.533 -0.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 0.027 -16.046 -0.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.843 -17.461 -0.945 1.00 0.00 H new ATOM 687 N LEU A 44 -3.121 -11.706 -6.350 1.00 0.00 N ATOM 688 CA LEU A 44 -4.193 -11.099 -7.133 1.00 0.00 C ATOM 689 C LEU A 44 -3.784 -9.702 -7.574 1.00 0.00 C ATOM 690 O LEU A 44 -2.801 -9.157 -7.085 1.00 0.00 O ATOM 691 CB LEU A 44 -5.508 -11.067 -6.351 1.00 0.00 C ATOM 692 CG LEU A 44 -5.421 -10.484 -4.946 1.00 0.00 C ATOM 693 CD1 LEU A 44 -5.970 -9.071 -4.926 1.00 0.00 C ATOM 694 CD2 LEU A 44 -6.160 -11.357 -3.948 1.00 0.00 C ATOM 0 H LEU A 44 -2.559 -11.039 -5.822 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.361 -11.711 -8.019 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -6.236 -10.489 -6.921 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.893 -12.084 -6.280 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.371 -10.454 -4.655 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.901 -8.668 -3.916 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -5.391 -8.446 -5.606 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -7.013 -9.081 -5.242 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -6.082 -10.918 -2.953 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.210 -11.427 -4.233 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.719 -12.354 -3.940 1.00 0.00 H new ATOM 706 N THR A 45 -4.554 -9.124 -8.475 1.00 0.00 N ATOM 707 CA THR A 45 -4.116 -7.939 -9.208 1.00 0.00 C ATOM 708 C THR A 45 -4.564 -6.622 -8.565 1.00 0.00 C ATOM 709 O THR A 45 -5.730 -6.237 -8.660 1.00 0.00 O ATOM 710 CB THR A 45 -4.629 -7.988 -10.660 1.00 0.00 C ATOM 711 OG1 THR A 45 -4.336 -9.271 -11.237 1.00 0.00 O ATOM 712 CG2 THR A 45 -3.987 -6.897 -11.505 1.00 0.00 C ATOM 0 H THR A 45 -5.488 -9.452 -8.721 1.00 0.00 H new ATOM 0 HA THR A 45 -3.026 -7.958 -9.183 1.00 0.00 H new ATOM 0 HB THR A 45 -5.707 -7.826 -10.644 1.00 0.00 H new ATOM 0 HG1 THR A 45 -4.666 -9.298 -12.160 1.00 0.00 H new ATOM 0 HG21 THR A 45 -4.367 -6.955 -12.525 1.00 0.00 H new ATOM 0 HG22 THR A 45 -4.228 -5.921 -11.083 1.00 0.00 H new ATOM 0 HG23 THR A 45 -2.905 -7.032 -11.513 1.00 0.00 H new ATOM 720 N ILE A 46 -3.629 -5.941 -7.907 1.00 0.00 N ATOM 721 CA ILE A 46 -3.852 -4.580 -7.429 1.00 0.00 C ATOM 722 C ILE A 46 -3.259 -3.591 -8.424 1.00 0.00 C ATOM 723 O ILE A 46 -2.270 -3.903 -9.084 1.00 0.00 O ATOM 724 CB ILE A 46 -3.176 -4.324 -6.062 1.00 0.00 C ATOM 725 CG1 ILE A 46 -3.189 -5.578 -5.192 1.00 0.00 C ATOM 726 CG2 ILE A 46 -3.870 -3.180 -5.337 1.00 0.00 C ATOM 727 CD1 ILE A 46 -4.571 -6.128 -4.951 1.00 0.00 C ATOM 0 H ILE A 46 -2.704 -6.313 -7.692 1.00 0.00 H new ATOM 0 HA ILE A 46 -4.929 -4.451 -7.323 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.137 -4.053 -6.249 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -2.579 -6.346 -5.667 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.725 -5.350 -4.232 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.384 -3.010 -4.376 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.806 -2.275 -5.941 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -4.917 -3.435 -5.174 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -4.504 -7.018 -4.326 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -5.179 -5.376 -4.448 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -5.030 -6.388 -5.905 1.00 0.00 H new ATOM 739 N GLY A 47 -3.848 -2.410 -8.541 1.00 0.00 N ATOM 740 CA GLY A 47 -3.261 -1.396 -9.389 1.00 0.00 C ATOM 741 C GLY A 47 -4.217 -0.279 -9.734 1.00 0.00 C ATOM 742 O GLY A 47 -5.293 -0.171 -9.144 1.00 0.00 O ATOM 0 H GLY A 47 -4.711 -2.139 -8.070 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.387 -0.976 -8.890 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.909 -1.861 -10.310 1.00 0.00 H new ATOM 746 N GLU A 48 -3.795 0.546 -10.691 1.00 0.00 N ATOM 747 CA GLU A 48 -4.564 1.679 -11.191 1.00 0.00 C ATOM 748 C GLU A 48 -5.195 2.519 -10.089 1.00 0.00 C ATOM 749 O GLU A 48 -6.368 2.343 -9.740 1.00 0.00 O ATOM 750 CB GLU A 48 -5.631 1.221 -12.170 1.00 0.00 C ATOM 751 CG GLU A 48 -5.078 0.792 -13.517 1.00 0.00 C ATOM 752 CD GLU A 48 -6.149 0.720 -14.582 1.00 0.00 C ATOM 753 OE1 GLU A 48 -6.791 -0.340 -14.719 1.00 0.00 O ATOM 754 OE2 GLU A 48 -6.358 1.731 -15.286 1.00 0.00 O ATOM 0 H GLU A 48 -2.889 0.441 -11.149 1.00 0.00 H new ATOM 0 HA GLU A 48 -3.847 2.320 -11.704 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -6.181 0.389 -11.731 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -6.345 2.031 -12.321 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.305 1.494 -13.830 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.602 -0.183 -13.418 1.00 0.00 H new ATOM 761 N TYR A 49 -4.409 3.424 -9.532 1.00 0.00 N ATOM 762 CA TYR A 49 -4.944 4.457 -8.667 1.00 0.00 C ATOM 763 C TYR A 49 -5.828 5.390 -9.493 1.00 0.00 C ATOM 764 O TYR A 49 -5.355 6.387 -10.036 1.00 0.00 O ATOM 765 CB TYR A 49 -3.807 5.246 -8.017 1.00 0.00 C ATOM 766 CG TYR A 49 -4.241 6.123 -6.861 1.00 0.00 C ATOM 767 CD1 TYR A 49 -4.771 7.394 -7.069 1.00 0.00 C ATOM 768 CD2 TYR A 49 -4.111 5.675 -5.555 1.00 0.00 C ATOM 769 CE1 TYR A 49 -5.150 8.189 -6.007 1.00 0.00 C ATOM 770 CE2 TYR A 49 -4.481 6.465 -4.486 1.00 0.00 C ATOM 771 CZ TYR A 49 -4.999 7.725 -4.720 1.00 0.00 C ATOM 772 OH TYR A 49 -5.352 8.534 -3.665 1.00 0.00 O ATOM 0 H TYR A 49 -3.398 3.463 -9.664 1.00 0.00 H new ATOM 0 HA TYR A 49 -5.537 3.997 -7.876 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -3.050 4.546 -7.663 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -3.334 5.871 -8.775 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -4.887 7.763 -8.077 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -3.712 4.688 -5.371 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -5.563 9.171 -6.185 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -4.367 6.102 -3.475 1.00 0.00 H new ATOM 0 HH TYR A 49 -4.563 9.020 -3.347 1.00 0.00 H new ATOM 782 N SER A 50 -7.091 5.021 -9.634 1.00 0.00 N ATOM 783 CA SER A 50 -8.051 5.830 -10.361 1.00 0.00 C ATOM 784 C SER A 50 -8.294 7.146 -9.651 1.00 0.00 C ATOM 785 O SER A 50 -8.171 7.248 -8.435 1.00 0.00 O ATOM 786 CB SER A 50 -9.366 5.075 -10.515 1.00 0.00 C ATOM 787 OG SER A 50 -10.409 5.919 -10.971 1.00 0.00 O ATOM 0 H SER A 50 -7.476 4.158 -9.250 1.00 0.00 H new ATOM 0 HA SER A 50 -7.640 6.040 -11.349 1.00 0.00 H new ATOM 0 HB2 SER A 50 -9.232 4.252 -11.217 1.00 0.00 H new ATOM 0 HB3 SER A 50 -9.647 4.636 -9.558 1.00 0.00 H new ATOM 0 HG SER A 50 -11.125 5.374 -11.359 1.00 0.00 H new ATOM 793 N GLU A 51 -8.631 8.153 -10.427 1.00 0.00 N ATOM 794 CA GLU A 51 -8.950 9.454 -9.877 1.00 0.00 C ATOM 795 C GLU A 51 -10.316 9.414 -9.200 1.00 0.00 C ATOM 796 O GLU A 51 -10.669 10.313 -8.439 1.00 0.00 O ATOM 797 CB GLU A 51 -8.955 10.526 -10.972 1.00 0.00 C ATOM 798 CG GLU A 51 -7.681 10.576 -11.800 1.00 0.00 C ATOM 799 CD GLU A 51 -6.438 10.768 -10.958 1.00 0.00 C ATOM 800 OE1 GLU A 51 -6.196 11.902 -10.491 1.00 0.00 O ATOM 801 OE2 GLU A 51 -5.691 9.790 -10.768 1.00 0.00 O ATOM 0 H GLU A 51 -8.691 8.096 -11.444 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.185 9.708 -9.144 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -9.800 10.347 -11.637 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -9.114 11.501 -10.510 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -7.588 9.652 -12.370 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -7.754 11.390 -12.521 1.00 0.00 H new ATOM 808 N ARG A 52 -11.091 8.375 -9.505 1.00 0.00 N ATOM 809 CA ARG A 52 -12.443 8.261 -9.038 1.00 0.00 C ATOM 810 C ARG A 52 -12.533 7.750 -7.594 1.00 0.00 C ATOM 811 O ARG A 52 -13.156 8.397 -6.755 1.00 0.00 O ATOM 812 CB ARG A 52 -13.154 7.347 -10.015 1.00 0.00 C ATOM 813 CG ARG A 52 -14.553 6.982 -9.631 1.00 0.00 C ATOM 814 CD ARG A 52 -14.597 5.659 -8.892 1.00 0.00 C ATOM 815 NE ARG A 52 -15.951 5.317 -8.466 1.00 0.00 N ATOM 816 CZ ARG A 52 -16.527 4.136 -8.686 1.00 0.00 C ATOM 817 NH1 ARG A 52 -15.863 3.172 -9.312 1.00 0.00 N ATOM 818 NH2 ARG A 52 -17.769 3.922 -8.278 1.00 0.00 N ATOM 0 H ARG A 52 -10.785 7.594 -10.085 1.00 0.00 H new ATOM 0 HA ARG A 52 -12.917 9.242 -9.005 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -13.175 7.829 -10.992 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -12.572 6.432 -10.124 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -14.975 7.766 -9.002 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -15.173 6.922 -10.525 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -14.209 4.870 -9.537 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -13.944 5.708 -8.021 1.00 0.00 H new ATOM 0 HE ARG A 52 -16.489 6.026 -7.969 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -14.907 3.333 -9.627 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -16.309 2.270 -9.478 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -18.282 4.661 -7.797 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -18.212 3.019 -8.445 1.00 0.00 H new ATOM 832 N GLU A 53 -11.928 6.600 -7.293 1.00 0.00 N ATOM 833 CA GLU A 53 -11.820 6.176 -5.894 1.00 0.00 C ATOM 834 C GLU A 53 -10.375 5.983 -5.487 1.00 0.00 C ATOM 835 O GLU A 53 -10.009 6.185 -4.336 1.00 0.00 O ATOM 836 CB GLU A 53 -12.558 4.867 -5.628 1.00 0.00 C ATOM 837 CG GLU A 53 -14.048 5.022 -5.469 1.00 0.00 C ATOM 838 CD GLU A 53 -14.711 3.734 -5.044 1.00 0.00 C ATOM 839 OE1 GLU A 53 -15.113 2.944 -5.919 1.00 0.00 O ATOM 840 OE2 GLU A 53 -14.819 3.498 -3.825 1.00 0.00 O ATOM 0 H GLU A 53 -11.517 5.962 -7.974 1.00 0.00 H new ATOM 0 HA GLU A 53 -12.276 6.974 -5.308 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -12.361 4.178 -6.449 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -12.153 4.411 -4.725 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -14.255 5.796 -4.730 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -14.480 5.357 -6.412 1.00 0.00 H new ATOM 847 N GLY A 54 -9.573 5.626 -6.481 1.00 0.00 N ATOM 848 CA GLY A 54 -8.167 5.286 -6.314 1.00 0.00 C ATOM 849 C GLY A 54 -7.823 4.404 -5.123 1.00 0.00 C ATOM 850 O GLY A 54 -6.653 4.239 -4.829 1.00 0.00 O ATOM 0 H GLY A 54 -9.890 5.563 -7.449 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -7.826 4.785 -7.220 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -7.599 6.212 -6.229 1.00 0.00 H new ATOM 854 N TYR A 55 -8.804 3.818 -4.445 1.00 0.00 N ATOM 855 CA TYR A 55 -8.509 2.940 -3.317 1.00 0.00 C ATOM 856 C TYR A 55 -9.217 1.601 -3.452 1.00 0.00 C ATOM 857 O TYR A 55 -9.349 0.874 -2.474 1.00 0.00 O ATOM 858 CB TYR A 55 -8.905 3.591 -1.986 1.00 0.00 C ATOM 859 CG TYR A 55 -8.346 4.980 -1.796 1.00 0.00 C ATOM 860 CD1 TYR A 55 -6.995 5.249 -1.973 1.00 0.00 C ATOM 861 CD2 TYR A 55 -9.182 6.032 -1.457 1.00 0.00 C ATOM 862 CE1 TYR A 55 -6.503 6.520 -1.820 1.00 0.00 C ATOM 863 CE2 TYR A 55 -8.693 7.308 -1.299 1.00 0.00 C ATOM 864 CZ TYR A 55 -7.354 7.547 -1.484 1.00 0.00 C ATOM 865 OH TYR A 55 -6.861 8.821 -1.345 1.00 0.00 O ATOM 0 H TYR A 55 -9.796 3.932 -4.652 1.00 0.00 H new ATOM 0 HA TYR A 55 -7.432 2.771 -3.324 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -9.992 3.636 -1.924 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -8.564 2.957 -1.167 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -6.322 4.446 -2.235 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -10.236 5.847 -1.314 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -5.450 6.714 -1.963 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -9.358 8.116 -1.031 1.00 0.00 H new ATOM 0 HH TYR A 55 -6.259 9.022 -2.092 1.00 0.00 H new ATOM 875 N LYS A 56 -9.690 1.271 -4.651 1.00 0.00 N ATOM 876 CA LYS A 56 -10.511 0.080 -4.815 1.00 0.00 C ATOM 877 C LYS A 56 -9.677 -1.185 -4.648 1.00 0.00 C ATOM 878 O LYS A 56 -10.131 -2.177 -4.081 1.00 0.00 O ATOM 879 CB LYS A 56 -11.210 0.084 -6.178 1.00 0.00 C ATOM 880 CG LYS A 56 -11.059 1.390 -6.952 1.00 0.00 C ATOM 881 CD LYS A 56 -10.136 1.233 -8.156 1.00 0.00 C ATOM 882 CE LYS A 56 -8.778 0.643 -7.803 1.00 0.00 C ATOM 883 NZ LYS A 56 -7.988 0.287 -9.015 1.00 0.00 N ATOM 0 H LYS A 56 -9.522 1.801 -5.506 1.00 0.00 H new ATOM 0 HA LYS A 56 -11.274 0.091 -4.037 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -10.811 -0.731 -6.781 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -12.271 -0.118 -6.031 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -12.039 1.729 -7.288 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -10.665 2.161 -6.290 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -10.620 0.595 -8.895 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -9.991 2.207 -8.623 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -8.217 1.360 -7.203 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -8.918 -0.246 -7.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -7.151 -0.262 -8.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -8.576 -0.282 -9.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -7.686 1.156 -9.500 1.00 0.00 H new ATOM 897 N GLY A 57 -8.442 -1.115 -5.145 1.00 0.00 N ATOM 898 CA GLY A 57 -7.501 -2.221 -5.042 1.00 0.00 C ATOM 899 C GLY A 57 -7.997 -3.509 -5.676 1.00 0.00 C ATOM 900 O GLY A 57 -7.465 -4.580 -5.388 1.00 0.00 O ATOM 0 H GLY A 57 -8.072 -0.295 -5.626 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -6.562 -1.932 -5.515 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -7.285 -2.405 -3.990 1.00 0.00 H new ATOM 904 N SER A 58 -8.986 -3.400 -6.563 1.00 0.00 N ATOM 905 CA SER A 58 -9.705 -4.560 -7.079 1.00 0.00 C ATOM 906 C SER A 58 -10.448 -5.244 -5.931 1.00 0.00 C ATOM 907 O SER A 58 -11.638 -5.003 -5.729 1.00 0.00 O ATOM 908 CB SER A 58 -8.759 -5.536 -7.798 1.00 0.00 C ATOM 909 OG SER A 58 -9.468 -6.612 -8.393 1.00 0.00 O ATOM 0 H SER A 58 -9.308 -2.509 -6.941 1.00 0.00 H new ATOM 0 HA SER A 58 -10.430 -4.226 -7.821 1.00 0.00 H new ATOM 0 HB2 SER A 58 -8.199 -5.001 -8.565 1.00 0.00 H new ATOM 0 HB3 SER A 58 -8.032 -5.928 -7.087 1.00 0.00 H new ATOM 0 HG SER A 58 -8.836 -7.211 -8.842 1.00 0.00 H new ATOM 915 N GLU A 59 -9.749 -6.086 -5.181 1.00 0.00 N ATOM 916 CA GLU A 59 -10.320 -6.670 -3.983 1.00 0.00 C ATOM 917 C GLU A 59 -9.522 -6.292 -2.738 1.00 0.00 C ATOM 918 O GLU A 59 -10.031 -6.377 -1.626 1.00 0.00 O ATOM 919 CB GLU A 59 -10.424 -8.182 -4.100 1.00 0.00 C ATOM 920 CG GLU A 59 -11.129 -8.797 -2.910 1.00 0.00 C ATOM 921 CD GLU A 59 -11.331 -10.287 -3.051 1.00 0.00 C ATOM 922 OE1 GLU A 59 -10.347 -10.999 -3.320 1.00 0.00 O ATOM 923 OE2 GLU A 59 -12.483 -10.754 -2.905 1.00 0.00 O ATOM 0 H GLU A 59 -8.792 -6.376 -5.382 1.00 0.00 H new ATOM 0 HA GLU A 59 -11.325 -6.262 -3.879 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -10.962 -8.439 -5.012 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -9.425 -8.608 -4.189 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -10.550 -8.598 -2.008 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -12.098 -8.315 -2.779 1.00 0.00 H new ATOM 930 N TYR A 60 -8.273 -5.882 -2.911 1.00 0.00 N ATOM 931 CA TYR A 60 -7.451 -5.500 -1.770 1.00 0.00 C ATOM 932 C TYR A 60 -6.761 -4.174 -2.006 1.00 0.00 C ATOM 933 O TYR A 60 -6.060 -3.994 -2.997 1.00 0.00 O ATOM 934 CB TYR A 60 -6.408 -6.572 -1.437 1.00 0.00 C ATOM 935 CG TYR A 60 -6.976 -7.732 -0.648 1.00 0.00 C ATOM 936 CD1 TYR A 60 -7.353 -7.554 0.668 1.00 0.00 C ATOM 937 CD2 TYR A 60 -7.143 -8.990 -1.211 1.00 0.00 C ATOM 938 CE1 TYR A 60 -7.881 -8.585 1.415 1.00 0.00 C ATOM 939 CE2 TYR A 60 -7.672 -10.034 -0.474 1.00 0.00 C ATOM 940 CZ TYR A 60 -8.040 -9.827 0.841 1.00 0.00 C ATOM 941 OH TYR A 60 -8.573 -10.859 1.580 1.00 0.00 O ATOM 0 H TYR A 60 -7.811 -5.806 -3.817 1.00 0.00 H new ATOM 0 HA TYR A 60 -8.126 -5.399 -0.920 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -5.975 -6.949 -2.364 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -5.597 -6.117 -0.868 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -7.231 -6.582 1.124 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -6.856 -9.156 -2.239 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -8.168 -8.420 2.443 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -7.797 -11.007 -0.925 1.00 0.00 H new ATOM 0 HH TYR A 60 -8.619 -11.667 1.028 1.00 0.00 H new ATOM 951 N ALA A 61 -6.952 -3.257 -1.080 1.00 0.00 N ATOM 952 CA ALA A 61 -6.314 -1.963 -1.154 1.00 0.00 C ATOM 953 C ALA A 61 -5.185 -1.879 -0.144 1.00 0.00 C ATOM 954 O ALA A 61 -5.425 -1.783 1.061 1.00 0.00 O ATOM 955 CB ALA A 61 -7.327 -0.860 -0.906 1.00 0.00 C ATOM 0 H ALA A 61 -7.548 -3.387 -0.263 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.900 -1.834 -2.154 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -6.831 0.109 -0.965 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -8.113 -0.912 -1.659 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -7.765 -0.984 0.085 1.00 0.00 H new ATOM 961 N PRO A 62 -3.933 -1.958 -0.612 1.00 0.00 N ATOM 962 CA PRO A 62 -2.787 -1.739 0.251 1.00 0.00 C ATOM 963 C PRO A 62 -2.647 -0.273 0.614 1.00 0.00 C ATOM 964 O PRO A 62 -2.462 0.585 -0.250 1.00 0.00 O ATOM 965 CB PRO A 62 -1.595 -2.208 -0.584 1.00 0.00 C ATOM 966 CG PRO A 62 -2.056 -2.175 -2.002 1.00 0.00 C ATOM 967 CD PRO A 62 -3.554 -2.310 -1.988 1.00 0.00 C ATOM 0 HA PRO A 62 -2.873 -2.273 1.197 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -0.734 -1.556 -0.437 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -1.287 -3.213 -0.296 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -1.759 -1.242 -2.481 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -1.602 -2.985 -2.573 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -4.021 -1.643 -2.713 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -3.865 -3.324 -2.240 1.00 0.00 H new ATOM 975 N THR A 63 -2.700 0.002 1.897 1.00 0.00 N ATOM 976 CA THR A 63 -2.664 1.360 2.376 1.00 0.00 C ATOM 977 C THR A 63 -1.534 1.535 3.371 1.00 0.00 C ATOM 978 O THR A 63 -1.138 0.588 4.053 1.00 0.00 O ATOM 979 CB THR A 63 -4.011 1.769 3.017 1.00 0.00 C ATOM 980 OG1 THR A 63 -4.358 0.870 4.079 1.00 0.00 O ATOM 981 CG2 THR A 63 -5.123 1.778 1.975 1.00 0.00 C ATOM 0 H THR A 63 -2.769 -0.704 2.630 1.00 0.00 H new ATOM 0 HA THR A 63 -2.490 2.012 1.520 1.00 0.00 H new ATOM 0 HB THR A 63 -3.897 2.774 3.423 1.00 0.00 H new ATOM 0 HG1 THR A 63 -3.680 0.166 4.146 1.00 0.00 H new ATOM 0 HG21 THR A 63 -6.062 2.068 2.447 1.00 0.00 H new ATOM 0 HG22 THR A 63 -4.878 2.490 1.187 1.00 0.00 H new ATOM 0 HG23 THR A 63 -5.226 0.782 1.544 1.00 0.00 H new ATOM 989 N TYR A 64 -1.005 2.735 3.436 1.00 0.00 N ATOM 990 CA TYR A 64 0.095 3.028 4.330 1.00 0.00 C ATOM 991 C TYR A 64 -0.337 4.074 5.339 1.00 0.00 C ATOM 992 O TYR A 64 -1.328 4.769 5.129 1.00 0.00 O ATOM 993 CB TYR A 64 1.296 3.548 3.535 1.00 0.00 C ATOM 994 CG TYR A 64 1.151 4.992 3.109 1.00 0.00 C ATOM 995 CD1 TYR A 64 0.176 5.380 2.199 1.00 0.00 C ATOM 996 CD2 TYR A 64 1.984 5.967 3.633 1.00 0.00 C ATOM 997 CE1 TYR A 64 0.039 6.701 1.824 1.00 0.00 C ATOM 998 CE2 TYR A 64 1.858 7.288 3.265 1.00 0.00 C ATOM 999 CZ TYR A 64 0.885 7.654 2.361 1.00 0.00 C ATOM 1000 OH TYR A 64 0.757 8.974 1.993 1.00 0.00 O ATOM 0 H TYR A 64 -1.320 3.529 2.878 1.00 0.00 H new ATOM 0 HA TYR A 64 0.383 2.115 4.851 1.00 0.00 H new ATOM 0 HB2 TYR A 64 2.196 3.444 4.140 1.00 0.00 H new ATOM 0 HB3 TYR A 64 1.433 2.927 2.650 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -0.485 4.637 1.779 1.00 0.00 H new ATOM 0 HD2 TYR A 64 2.747 5.686 4.344 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -0.724 6.989 1.116 1.00 0.00 H new ATOM 0 HE2 TYR A 64 2.519 8.033 3.683 1.00 0.00 H new ATOM 0 HH TYR A 64 1.428 9.511 2.463 1.00 0.00 H new ATOM 1010 N GLU A 65 0.401 4.177 6.425 1.00 0.00 N ATOM 1011 CA GLU A 65 0.165 5.226 7.397 1.00 0.00 C ATOM 1012 C GLU A 65 1.178 6.336 7.182 1.00 0.00 C ATOM 1013 O GLU A 65 2.387 6.104 7.267 1.00 0.00 O ATOM 1014 CB GLU A 65 0.278 4.680 8.818 1.00 0.00 C ATOM 1015 CG GLU A 65 -0.057 5.704 9.888 1.00 0.00 C ATOM 1016 CD GLU A 65 0.112 5.157 11.286 1.00 0.00 C ATOM 1017 OE1 GLU A 65 1.257 4.861 11.675 1.00 0.00 O ATOM 1018 OE2 GLU A 65 -0.896 5.025 12.011 1.00 0.00 O ATOM 0 H GLU A 65 1.169 3.548 6.657 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.844 5.617 7.265 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -0.388 3.824 8.924 1.00 0.00 H new ATOM 0 HB3 GLU A 65 1.293 4.316 8.979 1.00 0.00 H new ATOM 0 HG2 GLU A 65 0.583 6.577 9.763 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -1.085 6.041 9.755 1.00 0.00 H new ATOM 1025 N ASP A 66 0.684 7.527 6.870 1.00 0.00 N ATOM 1026 CA ASP A 66 1.550 8.664 6.594 1.00 0.00 C ATOM 1027 C ASP A 66 1.928 9.388 7.883 1.00 0.00 C ATOM 1028 O ASP A 66 1.541 8.970 8.977 1.00 0.00 O ATOM 1029 CB ASP A 66 0.877 9.635 5.605 1.00 0.00 C ATOM 1030 CG ASP A 66 0.208 10.820 6.278 1.00 0.00 C ATOM 1031 OD1 ASP A 66 -0.909 10.666 6.802 1.00 0.00 O ATOM 1032 OD2 ASP A 66 0.820 11.910 6.302 1.00 0.00 O ATOM 0 H ASP A 66 -0.313 7.730 6.802 1.00 0.00 H new ATOM 0 HA ASP A 66 2.464 8.287 6.136 1.00 0.00 H new ATOM 0 HB2 ASP A 66 1.625 10.002 4.902 1.00 0.00 H new ATOM 0 HB3 ASP A 66 0.133 9.091 5.023 1.00 0.00 H new ATOM 1037 N LYS A 67 2.689 10.463 7.739 1.00 0.00 N ATOM 1038 CA LYS A 67 3.122 11.284 8.862 1.00 0.00 C ATOM 1039 C LYS A 67 1.946 11.699 9.749 1.00 0.00 C ATOM 1040 O LYS A 67 2.036 11.648 10.975 1.00 0.00 O ATOM 1041 CB LYS A 67 3.836 12.525 8.334 1.00 0.00 C ATOM 1042 CG LYS A 67 4.976 12.190 7.386 1.00 0.00 C ATOM 1043 CD LYS A 67 5.271 13.328 6.423 1.00 0.00 C ATOM 1044 CE LYS A 67 4.030 13.750 5.643 1.00 0.00 C ATOM 1045 NZ LYS A 67 3.190 12.586 5.237 1.00 0.00 N ATOM 0 H LYS A 67 3.026 10.793 6.834 1.00 0.00 H new ATOM 0 HA LYS A 67 3.802 10.691 9.473 1.00 0.00 H new ATOM 0 HB2 LYS A 67 3.116 13.161 7.819 1.00 0.00 H new ATOM 0 HB3 LYS A 67 4.225 13.100 9.174 1.00 0.00 H new ATOM 0 HG2 LYS A 67 5.872 11.963 7.963 1.00 0.00 H new ATOM 0 HG3 LYS A 67 4.725 11.293 6.820 1.00 0.00 H new ATOM 0 HD2 LYS A 67 5.658 14.182 6.978 1.00 0.00 H new ATOM 0 HD3 LYS A 67 6.051 13.021 5.726 1.00 0.00 H new ATOM 0 HE2 LYS A 67 3.434 14.429 6.253 1.00 0.00 H new ATOM 0 HE3 LYS A 67 4.334 14.303 4.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 2.749 12.781 4.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 3.786 11.737 5.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 2.448 12.428 5.949 1.00 0.00 H new ATOM 1059 N ASP A 68 0.839 12.093 9.127 1.00 0.00 N ATOM 1060 CA ASP A 68 -0.314 12.584 9.876 1.00 0.00 C ATOM 1061 C ASP A 68 -1.217 11.430 10.311 1.00 0.00 C ATOM 1062 O ASP A 68 -2.049 11.580 11.204 1.00 0.00 O ATOM 1063 CB ASP A 68 -1.107 13.590 9.043 1.00 0.00 C ATOM 1064 CG ASP A 68 -1.965 14.495 9.902 1.00 0.00 C ATOM 1065 OD1 ASP A 68 -1.400 15.390 10.564 1.00 0.00 O ATOM 1066 OD2 ASP A 68 -3.203 14.326 9.913 1.00 0.00 O ATOM 0 H ASP A 68 0.715 12.083 8.115 1.00 0.00 H new ATOM 0 HA ASP A 68 0.056 13.085 10.771 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.417 14.196 8.456 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.741 13.054 8.337 1.00 0.00 H new ATOM 1071 N GLY A 69 -1.024 10.271 9.696 1.00 0.00 N ATOM 1072 CA GLY A 69 -1.773 9.088 10.078 1.00 0.00 C ATOM 1073 C GLY A 69 -2.986 8.822 9.204 1.00 0.00 C ATOM 1074 O GLY A 69 -3.973 8.249 9.667 1.00 0.00 O ATOM 0 H GLY A 69 -0.359 10.128 8.936 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -1.112 8.222 10.039 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.099 9.194 11.113 1.00 0.00 H new ATOM 1078 N ASP A 70 -2.920 9.234 7.945 1.00 0.00 N ATOM 1079 CA ASP A 70 -3.962 8.891 6.981 1.00 0.00 C ATOM 1080 C ASP A 70 -3.563 7.643 6.208 1.00 0.00 C ATOM 1081 O ASP A 70 -2.377 7.403 5.977 1.00 0.00 O ATOM 1082 CB ASP A 70 -4.230 10.039 6.004 1.00 0.00 C ATOM 1083 CG ASP A 70 -5.193 11.072 6.555 1.00 0.00 C ATOM 1084 OD1 ASP A 70 -6.422 10.897 6.384 1.00 0.00 O ATOM 1085 OD2 ASP A 70 -4.732 12.068 7.150 1.00 0.00 O ATOM 0 H ASP A 70 -2.162 9.803 7.567 1.00 0.00 H new ATOM 0 HA ASP A 70 -4.880 8.703 7.538 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -3.287 10.525 5.756 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -4.633 9.633 5.076 1.00 0.00 H new ATOM 1090 N TRP A 71 -4.552 6.852 5.816 1.00 0.00 N ATOM 1091 CA TRP A 71 -4.298 5.612 5.094 1.00 0.00 C ATOM 1092 C TRP A 71 -4.882 5.681 3.691 1.00 0.00 C ATOM 1093 O TRP A 71 -6.100 5.763 3.514 1.00 0.00 O ATOM 1094 CB TRP A 71 -4.898 4.415 5.837 1.00 0.00 C ATOM 1095 CG TRP A 71 -4.340 4.198 7.211 1.00 0.00 C ATOM 1096 CD1 TRP A 71 -4.649 4.897 8.341 1.00 0.00 C ATOM 1097 CD2 TRP A 71 -3.387 3.204 7.601 1.00 0.00 C ATOM 1098 NE1 TRP A 71 -3.944 4.400 9.408 1.00 0.00 N ATOM 1099 CE2 TRP A 71 -3.163 3.362 8.981 1.00 0.00 C ATOM 1100 CE3 TRP A 71 -2.701 2.197 6.920 1.00 0.00 C ATOM 1101 CZ2 TRP A 71 -2.283 2.550 9.690 1.00 0.00 C ATOM 1102 CZ3 TRP A 71 -1.826 1.393 7.624 1.00 0.00 C ATOM 1103 CH2 TRP A 71 -1.625 1.573 8.997 1.00 0.00 C ATOM 0 H TRP A 71 -5.539 7.047 5.986 1.00 0.00 H new ATOM 0 HA TRP A 71 -3.218 5.482 5.028 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -5.976 4.553 5.913 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -4.733 3.515 5.245 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -5.346 5.721 8.389 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -3.994 4.749 10.365 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -2.852 2.049 5.861 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -2.126 2.687 10.750 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -1.288 0.613 7.106 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -0.936 0.927 9.520 1.00 0.00 H new ATOM 1114 N MET A 72 -4.009 5.659 2.699 1.00 0.00 N ATOM 1115 CA MET A 72 -4.424 5.663 1.305 1.00 0.00 C ATOM 1116 C MET A 72 -3.593 4.639 0.548 1.00 0.00 C ATOM 1117 O MET A 72 -2.704 4.026 1.140 1.00 0.00 O ATOM 1118 CB MET A 72 -4.215 7.044 0.684 1.00 0.00 C ATOM 1119 CG MET A 72 -4.626 8.205 1.574 1.00 0.00 C ATOM 1120 SD MET A 72 -3.940 9.773 1.016 1.00 0.00 S ATOM 1121 CE MET A 72 -2.183 9.454 1.197 1.00 0.00 C ATOM 0 H MET A 72 -2.998 5.638 2.834 1.00 0.00 H new ATOM 0 HA MET A 72 -5.484 5.414 1.246 1.00 0.00 H new ATOM 0 HB2 MET A 72 -3.162 7.156 0.425 1.00 0.00 H new ATOM 0 HB3 MET A 72 -4.780 7.099 -0.247 1.00 0.00 H new ATOM 0 HG2 MET A 72 -5.714 8.275 1.597 1.00 0.00 H new ATOM 0 HG3 MET A 72 -4.298 8.011 2.595 1.00 0.00 H new ATOM 0 HE1 MET A 72 -1.654 10.398 1.329 1.00 0.00 H new ATOM 0 HE2 MET A 72 -2.016 8.820 2.067 1.00 0.00 H new ATOM 0 HE3 MET A 72 -1.811 8.951 0.305 1.00 0.00 H new ATOM 1131 N LEU A 73 -3.852 4.458 -0.747 1.00 0.00 N ATOM 1132 CA LEU A 73 -3.045 3.535 -1.538 1.00 0.00 C ATOM 1133 C LEU A 73 -1.600 3.995 -1.582 1.00 0.00 C ATOM 1134 O LEU A 73 -1.297 5.187 -1.485 1.00 0.00 O ATOM 1135 CB LEU A 73 -3.548 3.388 -2.980 1.00 0.00 C ATOM 1136 CG LEU A 73 -4.715 2.425 -3.218 1.00 0.00 C ATOM 1137 CD1 LEU A 73 -4.763 2.002 -4.678 1.00 0.00 C ATOM 1138 CD2 LEU A 73 -4.619 1.209 -2.326 1.00 0.00 C ATOM 0 H LEU A 73 -4.598 4.928 -1.260 1.00 0.00 H new ATOM 0 HA LEU A 73 -3.128 2.566 -1.046 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.845 4.374 -3.337 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -2.711 3.064 -3.599 1.00 0.00 H new ATOM 0 HG LEU A 73 -5.636 2.952 -2.969 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -5.598 1.318 -4.831 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -4.895 2.882 -5.308 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -3.831 1.503 -4.943 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -5.463 0.547 -2.521 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -3.688 0.680 -2.531 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -4.637 1.521 -1.282 1.00 0.00 H new ATOM 1150 N VAL A 74 -0.718 3.034 -1.723 1.00 0.00 N ATOM 1151 CA VAL A 74 0.701 3.309 -1.828 1.00 0.00 C ATOM 1152 C VAL A 74 1.047 3.792 -3.228 1.00 0.00 C ATOM 1153 O VAL A 74 0.589 3.233 -4.223 1.00 0.00 O ATOM 1154 CB VAL A 74 1.567 2.090 -1.447 1.00 0.00 C ATOM 1155 CG1 VAL A 74 1.572 1.908 0.061 1.00 0.00 C ATOM 1156 CG2 VAL A 74 1.074 0.823 -2.135 1.00 0.00 C ATOM 0 H VAL A 74 -0.959 2.044 -1.768 1.00 0.00 H new ATOM 0 HA VAL A 74 0.928 4.098 -1.111 1.00 0.00 H new ATOM 0 HB VAL A 74 2.586 2.276 -1.787 1.00 0.00 H new ATOM 0 HG11 VAL A 74 2.186 1.045 0.321 1.00 0.00 H new ATOM 0 HG12 VAL A 74 1.982 2.801 0.534 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.552 1.747 0.411 1.00 0.00 H new ATOM 0 HG21 VAL A 74 1.705 -0.017 -1.846 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.045 0.624 -1.836 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.119 0.955 -3.216 1.00 0.00 H new ATOM 1166 N GLY A 75 1.852 4.840 -3.293 1.00 0.00 N ATOM 1167 CA GLY A 75 2.143 5.475 -4.560 1.00 0.00 C ATOM 1168 C GLY A 75 1.319 6.729 -4.751 1.00 0.00 C ATOM 1169 O GLY A 75 1.308 7.320 -5.833 1.00 0.00 O ATOM 0 H GLY A 75 2.311 5.264 -2.487 1.00 0.00 H new ATOM 0 HA2 GLY A 75 3.203 5.723 -4.609 1.00 0.00 H new ATOM 0 HA3 GLY A 75 1.941 4.778 -5.373 1.00 0.00 H new ATOM 1173 N ASP A 76 0.615 7.124 -3.692 1.00 0.00 N ATOM 1174 CA ASP A 76 -0.222 8.321 -3.719 1.00 0.00 C ATOM 1175 C ASP A 76 0.620 9.581 -3.902 1.00 0.00 C ATOM 1176 O ASP A 76 0.364 10.383 -4.801 1.00 0.00 O ATOM 1177 CB ASP A 76 -1.045 8.432 -2.435 1.00 0.00 C ATOM 1178 CG ASP A 76 -1.964 9.637 -2.448 1.00 0.00 C ATOM 1179 OD1 ASP A 76 -3.016 9.577 -3.117 1.00 0.00 O ATOM 1180 OD2 ASP A 76 -1.639 10.648 -1.802 1.00 0.00 O ATOM 0 H ASP A 76 0.608 6.629 -2.800 1.00 0.00 H new ATOM 0 HA ASP A 76 -0.898 8.230 -4.570 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -1.638 7.526 -2.306 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -0.373 8.498 -1.579 1.00 0.00 H new ATOM 1185 N VAL A 77 1.619 9.750 -3.046 1.00 0.00 N ATOM 1186 CA VAL A 77 2.517 10.895 -3.134 1.00 0.00 C ATOM 1187 C VAL A 77 3.853 10.459 -3.739 1.00 0.00 C ATOM 1188 O VAL A 77 4.180 9.270 -3.708 1.00 0.00 O ATOM 1189 CB VAL A 77 2.736 11.556 -1.745 1.00 0.00 C ATOM 1190 CG1 VAL A 77 1.404 11.889 -1.094 1.00 0.00 C ATOM 1191 CG2 VAL A 77 3.559 10.672 -0.825 1.00 0.00 C ATOM 0 H VAL A 77 1.829 9.108 -2.282 1.00 0.00 H new ATOM 0 HA VAL A 77 2.056 11.642 -3.781 1.00 0.00 H new ATOM 0 HB VAL A 77 3.292 12.479 -1.909 1.00 0.00 H new ATOM 0 HG11 VAL A 77 1.579 12.351 -0.122 1.00 0.00 H new ATOM 0 HG12 VAL A 77 0.851 12.580 -1.730 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.825 10.975 -0.962 1.00 0.00 H new ATOM 0 HG21 VAL A 77 3.690 11.169 0.136 1.00 0.00 H new ATOM 0 HG22 VAL A 77 3.044 9.723 -0.675 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.535 10.488 -1.274 1.00 0.00 H new ATOM 1201 N PRO A 78 4.624 11.400 -4.321 1.00 0.00 N ATOM 1202 CA PRO A 78 5.913 11.104 -4.965 1.00 0.00 C ATOM 1203 C PRO A 78 6.837 10.248 -4.099 1.00 0.00 C ATOM 1204 O PRO A 78 7.116 10.570 -2.944 1.00 0.00 O ATOM 1205 CB PRO A 78 6.537 12.489 -5.203 1.00 0.00 C ATOM 1206 CG PRO A 78 5.661 13.460 -4.482 1.00 0.00 C ATOM 1207 CD PRO A 78 4.304 12.828 -4.421 1.00 0.00 C ATOM 0 HA PRO A 78 5.769 10.523 -5.876 1.00 0.00 H new ATOM 0 HB2 PRO A 78 7.558 12.528 -4.824 1.00 0.00 H new ATOM 0 HB3 PRO A 78 6.583 12.719 -6.267 1.00 0.00 H new ATOM 0 HG2 PRO A 78 6.043 13.661 -3.481 1.00 0.00 H new ATOM 0 HG3 PRO A 78 5.623 14.415 -5.006 1.00 0.00 H new ATOM 0 HD2 PRO A 78 3.732 13.177 -3.561 1.00 0.00 H new ATOM 0 HD3 PRO A 78 3.712 13.050 -5.309 1.00 0.00 H new ATOM 1215 N TRP A 79 7.293 9.154 -4.714 1.00 0.00 N ATOM 1216 CA TRP A 79 8.117 8.118 -4.092 1.00 0.00 C ATOM 1217 C TRP A 79 9.197 8.665 -3.163 1.00 0.00 C ATOM 1218 O TRP A 79 9.366 8.159 -2.058 1.00 0.00 O ATOM 1219 CB TRP A 79 8.766 7.283 -5.197 1.00 0.00 C ATOM 1220 CG TRP A 79 9.500 6.078 -4.701 1.00 0.00 C ATOM 1221 CD1 TRP A 79 10.848 5.946 -4.526 1.00 0.00 C ATOM 1222 CD2 TRP A 79 8.923 4.829 -4.323 1.00 0.00 C ATOM 1223 NE1 TRP A 79 11.141 4.684 -4.067 1.00 0.00 N ATOM 1224 CE2 TRP A 79 9.974 3.980 -3.934 1.00 0.00 C ATOM 1225 CE3 TRP A 79 7.614 4.347 -4.278 1.00 0.00 C ATOM 1226 CZ2 TRP A 79 9.755 2.675 -3.507 1.00 0.00 C ATOM 1227 CZ3 TRP A 79 7.400 3.056 -3.854 1.00 0.00 C ATOM 1228 CH2 TRP A 79 8.462 2.230 -3.474 1.00 0.00 C ATOM 0 H TRP A 79 7.090 8.960 -5.695 1.00 0.00 H new ATOM 0 HA TRP A 79 7.458 7.515 -3.468 1.00 0.00 H new ATOM 0 HB2 TRP A 79 7.994 6.962 -5.896 1.00 0.00 H new ATOM 0 HB3 TRP A 79 9.459 7.913 -5.754 1.00 0.00 H new ATOM 0 HD1 TRP A 79 11.577 6.719 -4.720 1.00 0.00 H new ATOM 0 HE1 TRP A 79 12.075 4.330 -3.859 1.00 0.00 H new ATOM 0 HE3 TRP A 79 6.785 4.975 -4.570 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 10.575 2.037 -3.212 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 6.391 2.673 -3.814 1.00 0.00 H new ATOM 0 HH2 TRP A 79 8.258 1.221 -3.148 1.00 0.00 H new ATOM 1239 N ASP A 80 9.920 9.685 -3.609 1.00 0.00 N ATOM 1240 CA ASP A 80 11.036 10.231 -2.834 1.00 0.00 C ATOM 1241 C ASP A 80 10.580 10.683 -1.450 1.00 0.00 C ATOM 1242 O ASP A 80 11.250 10.422 -0.451 1.00 0.00 O ATOM 1243 CB ASP A 80 11.678 11.405 -3.578 1.00 0.00 C ATOM 1244 CG ASP A 80 12.799 12.053 -2.789 1.00 0.00 C ATOM 1245 OD1 ASP A 80 13.936 11.538 -2.829 1.00 0.00 O ATOM 1246 OD2 ASP A 80 12.550 13.086 -2.134 1.00 0.00 O ATOM 0 H ASP A 80 9.757 10.152 -4.501 1.00 0.00 H new ATOM 0 HA ASP A 80 11.773 9.438 -2.710 1.00 0.00 H new ATOM 0 HB2 ASP A 80 12.067 11.055 -4.534 1.00 0.00 H new ATOM 0 HB3 ASP A 80 10.915 12.152 -3.798 1.00 0.00 H new ATOM 1251 N MET A 81 9.437 11.346 -1.396 1.00 0.00 N ATOM 1252 CA MET A 81 8.868 11.782 -0.137 1.00 0.00 C ATOM 1253 C MET A 81 8.073 10.638 0.490 1.00 0.00 C ATOM 1254 O MET A 81 7.947 10.544 1.711 1.00 0.00 O ATOM 1255 CB MET A 81 7.967 12.999 -0.376 1.00 0.00 C ATOM 1256 CG MET A 81 7.833 13.920 0.825 1.00 0.00 C ATOM 1257 SD MET A 81 6.804 13.251 2.149 1.00 0.00 S ATOM 1258 CE MET A 81 5.214 13.153 1.330 1.00 0.00 C ATOM 0 H MET A 81 8.884 11.594 -2.216 1.00 0.00 H new ATOM 0 HA MET A 81 9.666 12.067 0.548 1.00 0.00 H new ATOM 0 HB2 MET A 81 8.362 13.571 -1.216 1.00 0.00 H new ATOM 0 HB3 MET A 81 6.975 12.652 -0.666 1.00 0.00 H new ATOM 0 HG2 MET A 81 8.826 14.131 1.221 1.00 0.00 H new ATOM 0 HG3 MET A 81 7.413 14.870 0.496 1.00 0.00 H new ATOM 0 HE1 MET A 81 4.468 12.773 2.028 1.00 0.00 H new ATOM 0 HE2 MET A 81 4.919 14.145 0.988 1.00 0.00 H new ATOM 0 HE3 MET A 81 5.286 12.481 0.475 1.00 0.00 H new ATOM 1268 N PHE A 82 7.567 9.752 -0.361 1.00 0.00 N ATOM 1269 CA PHE A 82 6.699 8.672 0.081 1.00 0.00 C ATOM 1270 C PHE A 82 7.396 7.767 1.083 1.00 0.00 C ATOM 1271 O PHE A 82 6.866 7.527 2.166 1.00 0.00 O ATOM 1272 CB PHE A 82 6.207 7.825 -1.100 1.00 0.00 C ATOM 1273 CG PHE A 82 4.964 7.049 -0.769 1.00 0.00 C ATOM 1274 CD1 PHE A 82 5.017 5.901 0.009 1.00 0.00 C ATOM 1275 CD2 PHE A 82 3.734 7.499 -1.206 1.00 0.00 C ATOM 1276 CE1 PHE A 82 3.854 5.229 0.345 1.00 0.00 C ATOM 1277 CE2 PHE A 82 2.576 6.830 -0.883 1.00 0.00 C ATOM 1278 CZ PHE A 82 2.632 5.698 -0.104 1.00 0.00 C ATOM 0 H PHE A 82 7.746 9.763 -1.365 1.00 0.00 H new ATOM 0 HA PHE A 82 5.843 9.144 0.563 1.00 0.00 H new ATOM 0 HB2 PHE A 82 6.010 8.475 -1.953 1.00 0.00 H new ATOM 0 HB3 PHE A 82 6.994 7.134 -1.401 1.00 0.00 H new ATOM 0 HD1 PHE A 82 5.971 5.530 0.354 1.00 0.00 H new ATOM 0 HD2 PHE A 82 3.680 8.391 -1.812 1.00 0.00 H new ATOM 0 HE1 PHE A 82 3.901 4.340 0.957 1.00 0.00 H new ATOM 0 HE2 PHE A 82 1.624 7.193 -1.241 1.00 0.00 H new ATOM 0 HZ PHE A 82 1.723 5.176 0.157 1.00 0.00 H new ATOM 1288 N VAL A 83 8.595 7.302 0.736 1.00 0.00 N ATOM 1289 CA VAL A 83 9.277 6.259 1.509 1.00 0.00 C ATOM 1290 C VAL A 83 9.517 6.700 2.942 1.00 0.00 C ATOM 1291 O VAL A 83 9.421 5.906 3.876 1.00 0.00 O ATOM 1292 CB VAL A 83 10.642 5.883 0.900 1.00 0.00 C ATOM 1293 CG1 VAL A 83 11.119 4.566 1.473 1.00 0.00 C ATOM 1294 CG2 VAL A 83 10.582 5.821 -0.613 1.00 0.00 C ATOM 0 H VAL A 83 9.117 7.630 -0.077 1.00 0.00 H new ATOM 0 HA VAL A 83 8.616 5.393 1.484 1.00 0.00 H new ATOM 0 HB VAL A 83 11.356 6.664 1.163 1.00 0.00 H new ATOM 0 HG11 VAL A 83 12.084 4.308 1.037 1.00 0.00 H new ATOM 0 HG12 VAL A 83 11.221 4.656 2.554 1.00 0.00 H new ATOM 0 HG13 VAL A 83 10.395 3.785 1.241 1.00 0.00 H new ATOM 0 HG21 VAL A 83 11.563 5.553 -1.005 1.00 0.00 H new ATOM 0 HG22 VAL A 83 9.852 5.071 -0.918 1.00 0.00 H new ATOM 0 HG23 VAL A 83 10.288 6.794 -1.006 1.00 0.00 H new ATOM 1304 N THR A 84 9.820 7.968 3.112 1.00 0.00 N ATOM 1305 CA THR A 84 10.107 8.512 4.419 1.00 0.00 C ATOM 1306 C THR A 84 8.825 8.781 5.208 1.00 0.00 C ATOM 1307 O THR A 84 8.864 9.030 6.414 1.00 0.00 O ATOM 1308 CB THR A 84 10.950 9.789 4.280 1.00 0.00 C ATOM 1309 OG1 THR A 84 10.361 10.663 3.307 1.00 0.00 O ATOM 1310 CG2 THR A 84 12.361 9.429 3.845 1.00 0.00 C ATOM 0 H THR A 84 9.874 8.647 2.353 1.00 0.00 H new ATOM 0 HA THR A 84 10.679 7.773 4.981 1.00 0.00 H new ATOM 0 HB THR A 84 10.984 10.295 5.245 1.00 0.00 H new ATOM 0 HG1 THR A 84 10.904 11.475 3.226 1.00 0.00 H new ATOM 0 HG21 THR A 84 12.955 10.338 3.748 1.00 0.00 H new ATOM 0 HG22 THR A 84 12.816 8.776 4.590 1.00 0.00 H new ATOM 0 HG23 THR A 84 12.326 8.914 2.885 1.00 0.00 H new ATOM 1318 N SER A 85 7.688 8.709 4.524 1.00 0.00 N ATOM 1319 CA SER A 85 6.411 9.044 5.130 1.00 0.00 C ATOM 1320 C SER A 85 5.624 7.794 5.523 1.00 0.00 C ATOM 1321 O SER A 85 4.711 7.871 6.345 1.00 0.00 O ATOM 1322 CB SER A 85 5.580 9.904 4.173 1.00 0.00 C ATOM 1323 OG SER A 85 4.305 10.192 4.726 1.00 0.00 O ATOM 0 H SER A 85 7.628 8.421 3.547 1.00 0.00 H new ATOM 0 HA SER A 85 6.618 9.608 6.039 1.00 0.00 H new ATOM 0 HB2 SER A 85 6.108 10.834 3.963 1.00 0.00 H new ATOM 0 HB3 SER A 85 5.459 9.384 3.223 1.00 0.00 H new ATOM 0 HG SER A 85 3.624 10.139 4.023 1.00 0.00 H new ATOM 1329 N CYS A 86 5.957 6.652 4.933 1.00 0.00 N ATOM 1330 CA CYS A 86 5.272 5.416 5.255 1.00 0.00 C ATOM 1331 C CYS A 86 5.909 4.754 6.464 1.00 0.00 C ATOM 1332 O CYS A 86 7.082 4.381 6.445 1.00 0.00 O ATOM 1333 CB CYS A 86 5.271 4.472 4.060 1.00 0.00 C ATOM 1334 SG CYS A 86 6.514 4.840 2.812 1.00 0.00 S ATOM 0 H CYS A 86 6.694 6.561 4.233 1.00 0.00 H new ATOM 0 HA CYS A 86 4.236 5.652 5.500 1.00 0.00 H new ATOM 0 HB2 CYS A 86 5.425 3.454 4.418 1.00 0.00 H new ATOM 0 HB3 CYS A 86 4.287 4.500 3.593 1.00 0.00 H new ATOM 0 HG CYS A 86 6.463 6.103 2.508 1.00 0.00 H new ATOM 1340 N LYS A 87 5.124 4.628 7.514 1.00 0.00 N ATOM 1341 CA LYS A 87 5.621 4.131 8.790 1.00 0.00 C ATOM 1342 C LYS A 87 4.925 2.835 9.197 1.00 0.00 C ATOM 1343 O LYS A 87 5.482 2.028 9.939 1.00 0.00 O ATOM 1344 CB LYS A 87 5.465 5.220 9.856 1.00 0.00 C ATOM 1345 CG LYS A 87 4.059 5.772 9.992 1.00 0.00 C ATOM 1346 CD LYS A 87 4.069 7.054 10.800 1.00 0.00 C ATOM 1347 CE LYS A 87 4.261 6.795 12.287 1.00 0.00 C ATOM 1348 NZ LYS A 87 3.014 6.320 12.942 1.00 0.00 N ATOM 0 H LYS A 87 4.132 4.864 7.513 1.00 0.00 H new ATOM 0 HA LYS A 87 6.680 3.892 8.688 1.00 0.00 H new ATOM 0 HB2 LYS A 87 5.777 4.815 10.819 1.00 0.00 H new ATOM 0 HB3 LYS A 87 6.142 6.041 9.620 1.00 0.00 H new ATOM 0 HG2 LYS A 87 3.639 5.961 9.004 1.00 0.00 H new ATOM 0 HG3 LYS A 87 3.418 5.035 10.476 1.00 0.00 H new ATOM 0 HD2 LYS A 87 4.868 7.702 10.440 1.00 0.00 H new ATOM 0 HD3 LYS A 87 3.131 7.587 10.644 1.00 0.00 H new ATOM 0 HE2 LYS A 87 5.047 6.053 12.426 1.00 0.00 H new ATOM 0 HE3 LYS A 87 4.598 7.711 12.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 3.256 5.770 13.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 2.431 7.138 13.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 2.481 5.720 12.281 1.00 0.00 H new ATOM 1362 N ARG A 88 3.710 2.640 8.701 1.00 0.00 N ATOM 1363 CA ARG A 88 2.975 1.395 8.904 1.00 0.00 C ATOM 1364 C ARG A 88 2.255 1.018 7.621 1.00 0.00 C ATOM 1365 O ARG A 88 2.013 1.876 6.768 1.00 0.00 O ATOM 1366 CB ARG A 88 1.961 1.533 10.039 1.00 0.00 C ATOM 1367 CG ARG A 88 2.592 1.828 11.382 1.00 0.00 C ATOM 1368 CD ARG A 88 1.549 1.901 12.484 1.00 0.00 C ATOM 1369 NE ARG A 88 2.150 2.027 13.813 1.00 0.00 N ATOM 1370 CZ ARG A 88 1.877 3.012 14.671 1.00 0.00 C ATOM 1371 NH1 ARG A 88 1.092 4.020 14.311 1.00 0.00 N ATOM 1372 NH2 ARG A 88 2.415 3.008 15.883 1.00 0.00 N ATOM 0 H ARG A 88 3.207 3.335 8.149 1.00 0.00 H new ATOM 0 HA ARG A 88 3.687 0.615 9.175 1.00 0.00 H new ATOM 0 HB2 ARG A 88 1.260 2.330 9.793 1.00 0.00 H new ATOM 0 HB3 ARG A 88 1.383 0.612 10.113 1.00 0.00 H new ATOM 0 HG2 ARG A 88 3.321 1.054 11.620 1.00 0.00 H new ATOM 0 HG3 ARG A 88 3.135 2.772 11.331 1.00 0.00 H new ATOM 0 HD2 ARG A 88 0.892 2.752 12.303 1.00 0.00 H new ATOM 0 HD3 ARG A 88 0.928 1.006 12.452 1.00 0.00 H new ATOM 0 HE ARG A 88 2.821 1.315 14.102 1.00 0.00 H new ATOM 0 HH11 ARG A 88 0.693 4.045 13.373 1.00 0.00 H new ATOM 0 HH12 ARG A 88 0.888 4.769 14.973 1.00 0.00 H new ATOM 0 HH21 ARG A 88 3.039 2.251 16.161 1.00 0.00 H new ATOM 0 HH22 ARG A 88 2.205 3.762 16.537 1.00 0.00 H new ATOM 1386 N LEU A 89 1.918 -0.257 7.480 1.00 0.00 N ATOM 1387 CA LEU A 89 1.307 -0.746 6.256 1.00 0.00 C ATOM 1388 C LEU A 89 0.113 -1.643 6.569 1.00 0.00 C ATOM 1389 O LEU A 89 0.190 -2.536 7.409 1.00 0.00 O ATOM 1390 CB LEU A 89 2.341 -1.513 5.424 1.00 0.00 C ATOM 1391 CG LEU A 89 2.172 -1.390 3.912 1.00 0.00 C ATOM 1392 CD1 LEU A 89 2.468 0.028 3.449 1.00 0.00 C ATOM 1393 CD2 LEU A 89 3.059 -2.385 3.189 1.00 0.00 C ATOM 0 H LEU A 89 2.058 -0.968 8.198 1.00 0.00 H new ATOM 0 HA LEU A 89 0.951 0.109 5.682 1.00 0.00 H new ATOM 0 HB2 LEU A 89 3.336 -1.159 5.693 1.00 0.00 H new ATOM 0 HB3 LEU A 89 2.293 -2.568 5.695 1.00 0.00 H new ATOM 0 HG LEU A 89 1.134 -1.618 3.668 1.00 0.00 H new ATOM 0 HD11 LEU A 89 2.341 0.092 2.368 1.00 0.00 H new ATOM 0 HD12 LEU A 89 1.782 0.721 3.936 1.00 0.00 H new ATOM 0 HD13 LEU A 89 3.494 0.289 3.710 1.00 0.00 H new ATOM 0 HD21 LEU A 89 2.922 -2.279 2.113 1.00 0.00 H new ATOM 0 HD22 LEU A 89 4.102 -2.194 3.443 1.00 0.00 H new ATOM 0 HD23 LEU A 89 2.792 -3.398 3.491 1.00 0.00 H new ATOM 1405 N ARG A 90 -1.001 -1.384 5.916 1.00 0.00 N ATOM 1406 CA ARG A 90 -2.178 -2.214 6.077 1.00 0.00 C ATOM 1407 C ARG A 90 -2.849 -2.455 4.740 1.00 0.00 C ATOM 1408 O ARG A 90 -3.202 -1.517 4.032 1.00 0.00 O ATOM 1409 CB ARG A 90 -3.167 -1.583 7.057 1.00 0.00 C ATOM 1410 CG ARG A 90 -4.510 -2.291 7.094 1.00 0.00 C ATOM 1411 CD ARG A 90 -5.386 -1.769 8.215 1.00 0.00 C ATOM 1412 NE ARG A 90 -5.540 -0.312 8.174 1.00 0.00 N ATOM 1413 CZ ARG A 90 -6.268 0.377 9.054 1.00 0.00 C ATOM 1414 NH1 ARG A 90 -6.930 -0.261 10.012 1.00 0.00 N ATOM 1415 NH2 ARG A 90 -6.333 1.702 8.976 1.00 0.00 N ATOM 0 H ARG A 90 -1.117 -0.605 5.268 1.00 0.00 H new ATOM 0 HA ARG A 90 -1.856 -3.172 6.485 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -2.732 -1.591 8.057 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -3.322 -0.539 6.785 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -5.020 -2.155 6.140 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -4.354 -3.362 7.222 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -6.368 -2.237 8.152 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -4.955 -2.059 9.173 1.00 0.00 H new ATOM 0 HE ARG A 90 -5.065 0.203 7.433 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -6.882 -1.278 10.075 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -7.487 0.266 10.685 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -5.825 2.195 8.242 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -6.891 2.226 9.651 1.00 0.00 H new ATOM 1429 N ILE A 91 -3.020 -3.709 4.398 1.00 0.00 N ATOM 1430 CA ILE A 91 -3.726 -4.075 3.191 1.00 0.00 C ATOM 1431 C ILE A 91 -4.993 -4.787 3.586 1.00 0.00 C ATOM 1432 O ILE A 91 -4.996 -5.582 4.520 1.00 0.00 O ATOM 1433 CB ILE A 91 -2.910 -4.984 2.264 1.00 0.00 C ATOM 1434 CG1 ILE A 91 -1.459 -4.483 2.187 1.00 0.00 C ATOM 1435 CG2 ILE A 91 -3.555 -5.034 0.878 1.00 0.00 C ATOM 1436 CD1 ILE A 91 -0.537 -5.350 1.358 1.00 0.00 C ATOM 0 H ILE A 91 -2.677 -4.500 4.943 1.00 0.00 H new ATOM 0 HA ILE A 91 -3.928 -3.159 2.635 1.00 0.00 H new ATOM 0 HB ILE A 91 -2.899 -5.997 2.666 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.458 -3.475 1.773 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -1.058 -4.413 3.198 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -2.968 -5.682 0.227 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -4.569 -5.426 0.962 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -3.588 -4.030 0.456 1.00 0.00 H new ATOM 0 HD11 ILE A 91 0.465 -4.921 1.360 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -0.503 -6.354 1.782 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -0.908 -5.401 0.334 1.00 0.00 H new ATOM 1448 N MET A 92 -6.072 -4.455 2.935 1.00 0.00 N ATOM 1449 CA MET A 92 -7.353 -5.022 3.294 1.00 0.00 C ATOM 1450 C MET A 92 -8.338 -4.940 2.156 1.00 0.00 C ATOM 1451 O MET A 92 -8.151 -4.169 1.216 1.00 0.00 O ATOM 1452 CB MET A 92 -7.905 -4.342 4.536 1.00 0.00 C ATOM 1453 CG MET A 92 -7.862 -2.824 4.467 1.00 0.00 C ATOM 1454 SD MET A 92 -8.363 -2.040 6.010 1.00 0.00 S ATOM 1455 CE MET A 92 -8.029 -0.324 5.628 1.00 0.00 C ATOM 0 H MET A 92 -6.097 -3.798 2.155 1.00 0.00 H new ATOM 0 HA MET A 92 -7.198 -6.078 3.514 1.00 0.00 H new ATOM 0 HB2 MET A 92 -8.936 -4.662 4.688 1.00 0.00 H new ATOM 0 HB3 MET A 92 -7.337 -4.674 5.405 1.00 0.00 H new ATOM 0 HG2 MET A 92 -6.851 -2.505 4.214 1.00 0.00 H new ATOM 0 HG3 MET A 92 -8.514 -2.483 3.663 1.00 0.00 H new ATOM 0 HE1 MET A 92 -8.448 0.311 6.409 1.00 0.00 H new ATOM 0 HE2 MET A 92 -6.952 -0.167 5.572 1.00 0.00 H new ATOM 0 HE3 MET A 92 -8.483 -0.069 4.670 1.00 0.00 H new ATOM 1465 N LYS A 93 -9.368 -5.765 2.248 1.00 0.00 N ATOM 1466 CA LYS A 93 -10.380 -5.865 1.213 1.00 0.00 C ATOM 1467 C LYS A 93 -10.976 -4.518 0.844 1.00 0.00 C ATOM 1468 O LYS A 93 -11.086 -3.604 1.669 1.00 0.00 O ATOM 1469 CB LYS A 93 -11.482 -6.819 1.649 1.00 0.00 C ATOM 1470 CG LYS A 93 -11.332 -8.204 1.056 1.00 0.00 C ATOM 1471 CD LYS A 93 -12.407 -9.146 1.562 1.00 0.00 C ATOM 1472 CE LYS A 93 -12.298 -10.516 0.914 1.00 0.00 C ATOM 1473 NZ LYS A 93 -13.384 -11.426 1.360 1.00 0.00 N ATOM 0 H LYS A 93 -9.525 -6.384 3.043 1.00 0.00 H new ATOM 0 HA LYS A 93 -9.886 -6.252 0.322 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -11.482 -6.893 2.736 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -12.448 -6.407 1.358 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -11.383 -8.143 -0.031 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -10.349 -8.604 1.307 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -12.324 -9.247 2.644 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -13.390 -8.722 1.356 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -12.336 -10.409 -0.170 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -11.331 -10.957 1.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -13.275 -12.350 0.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -13.333 -11.548 2.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -14.306 -11.017 1.105 1.00 0.00 H new ATOM 1487 N GLY A 94 -11.371 -4.430 -0.419 1.00 0.00 N ATOM 1488 CA GLY A 94 -11.867 -3.192 -0.988 1.00 0.00 C ATOM 1489 C GLY A 94 -13.113 -2.697 -0.306 1.00 0.00 C ATOM 1490 O GLY A 94 -13.398 -1.501 -0.298 1.00 0.00 O ATOM 0 H GLY A 94 -11.355 -5.213 -1.072 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -11.092 -2.429 -0.918 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -12.073 -3.341 -2.048 1.00 0.00 H new ATOM 1494 N THR A 95 -13.844 -3.628 0.272 1.00 0.00 N ATOM 1495 CA THR A 95 -15.081 -3.319 0.976 1.00 0.00 C ATOM 1496 C THR A 95 -14.785 -2.677 2.336 1.00 0.00 C ATOM 1497 O THR A 95 -15.667 -2.102 2.975 1.00 0.00 O ATOM 1498 CB THR A 95 -15.946 -4.592 1.163 1.00 0.00 C ATOM 1499 OG1 THR A 95 -17.171 -4.281 1.837 1.00 0.00 O ATOM 1500 CG2 THR A 95 -15.190 -5.659 1.941 1.00 0.00 C ATOM 0 H THR A 95 -13.602 -4.619 0.270 1.00 0.00 H new ATOM 0 HA THR A 95 -15.642 -2.608 0.369 1.00 0.00 H new ATOM 0 HB THR A 95 -16.176 -4.980 0.171 1.00 0.00 H new ATOM 0 HG1 THR A 95 -17.081 -3.421 2.299 1.00 0.00 H new ATOM 0 HG21 THR A 95 -15.821 -6.540 2.057 1.00 0.00 H new ATOM 0 HG22 THR A 95 -14.284 -5.930 1.400 1.00 0.00 H new ATOM 0 HG23 THR A 95 -14.923 -5.272 2.924 1.00 0.00 H new ATOM 1508 N GLU A 96 -13.535 -2.760 2.761 1.00 0.00 N ATOM 1509 CA GLU A 96 -13.128 -2.223 4.050 1.00 0.00 C ATOM 1510 C GLU A 96 -12.420 -0.876 3.884 1.00 0.00 C ATOM 1511 O GLU A 96 -12.729 0.090 4.581 1.00 0.00 O ATOM 1512 CB GLU A 96 -12.217 -3.219 4.769 1.00 0.00 C ATOM 1513 CG GLU A 96 -12.004 -2.898 6.239 1.00 0.00 C ATOM 1514 CD GLU A 96 -13.304 -2.876 7.016 1.00 0.00 C ATOM 1515 OE1 GLU A 96 -13.829 -3.961 7.343 1.00 0.00 O ATOM 1516 OE2 GLU A 96 -13.815 -1.774 7.298 1.00 0.00 O ATOM 0 H GLU A 96 -12.781 -3.196 2.230 1.00 0.00 H new ATOM 0 HA GLU A 96 -14.022 -2.062 4.652 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -12.645 -4.218 4.682 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -11.250 -3.242 4.267 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -11.334 -3.638 6.677 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -11.512 -1.929 6.330 1.00 0.00 H new ATOM 1523 N ALA A 97 -11.485 -0.815 2.940 1.00 0.00 N ATOM 1524 CA ALA A 97 -10.666 0.381 2.740 1.00 0.00 C ATOM 1525 C ALA A 97 -11.472 1.543 2.173 1.00 0.00 C ATOM 1526 O ALA A 97 -11.111 2.707 2.354 1.00 0.00 O ATOM 1527 CB ALA A 97 -9.488 0.062 1.835 1.00 0.00 C ATOM 0 H ALA A 97 -11.274 -1.580 2.299 1.00 0.00 H new ATOM 0 HA ALA A 97 -10.297 0.692 3.717 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -8.885 0.959 1.693 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -8.878 -0.717 2.293 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -9.855 -0.286 0.869 1.00 0.00 H new ATOM 1533 N LYS A 98 -12.567 1.220 1.506 1.00 0.00 N ATOM 1534 CA LYS A 98 -13.430 2.227 0.892 1.00 0.00 C ATOM 1535 C LYS A 98 -13.931 3.244 1.919 1.00 0.00 C ATOM 1536 O LYS A 98 -14.017 4.439 1.633 1.00 0.00 O ATOM 1537 CB LYS A 98 -14.617 1.546 0.209 1.00 0.00 C ATOM 1538 CG LYS A 98 -15.372 0.593 1.121 1.00 0.00 C ATOM 1539 CD LYS A 98 -16.545 -0.067 0.418 1.00 0.00 C ATOM 1540 CE LYS A 98 -17.671 0.922 0.155 1.00 0.00 C ATOM 1541 NZ LYS A 98 -18.856 0.267 -0.456 1.00 0.00 N ATOM 0 H LYS A 98 -12.885 0.260 1.373 1.00 0.00 H new ATOM 0 HA LYS A 98 -12.840 2.767 0.151 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -15.304 2.310 -0.155 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -14.260 0.997 -0.662 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -14.690 -0.175 1.485 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -15.733 1.138 1.993 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -16.209 -0.496 -0.526 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -16.918 -0.890 1.027 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -17.962 1.397 1.092 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -17.313 1.712 -0.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -19.599 0.976 -0.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -18.585 -0.165 -1.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -19.214 -0.470 0.185 1.00 0.00 H new ATOM 1555 N GLY A 99 -14.237 2.765 3.120 1.00 0.00 N ATOM 1556 CA GLY A 99 -14.809 3.614 4.143 1.00 0.00 C ATOM 1557 C GLY A 99 -13.902 4.758 4.555 1.00 0.00 C ATOM 1558 O GLY A 99 -14.374 5.867 4.812 1.00 0.00 O ATOM 0 H GLY A 99 -14.097 1.795 3.403 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -15.753 4.021 3.780 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -15.039 3.009 5.020 1.00 0.00 H new ATOM 1562 N LEU A 100 -12.601 4.501 4.605 1.00 0.00 N ATOM 1563 CA LEU A 100 -11.653 5.495 5.087 1.00 0.00 C ATOM 1564 C LEU A 100 -10.873 6.135 3.947 1.00 0.00 C ATOM 1565 O LEU A 100 -9.873 6.812 4.182 1.00 0.00 O ATOM 1566 CB LEU A 100 -10.683 4.893 6.104 1.00 0.00 C ATOM 1567 CG LEU A 100 -9.740 3.813 5.572 1.00 0.00 C ATOM 1568 CD1 LEU A 100 -8.414 3.868 6.313 1.00 0.00 C ATOM 1569 CD2 LEU A 100 -10.356 2.431 5.728 1.00 0.00 C ATOM 0 H LEU A 100 -12.181 3.617 4.319 1.00 0.00 H new ATOM 0 HA LEU A 100 -12.240 6.272 5.578 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -10.081 5.699 6.523 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -11.263 4.469 6.924 1.00 0.00 H new ATOM 0 HG LEU A 100 -9.571 4.001 4.512 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -7.749 3.095 5.927 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -7.956 4.846 6.167 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -8.584 3.702 7.377 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -9.667 1.680 5.343 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -10.552 2.237 6.783 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -11.292 2.385 5.171 1.00 0.00 H new ATOM 1581 N GLY A 101 -11.314 5.902 2.721 1.00 0.00 N ATOM 1582 CA GLY A 101 -10.691 6.537 1.570 1.00 0.00 C ATOM 1583 C GLY A 101 -11.008 8.010 1.493 1.00 0.00 C ATOM 1584 O GLY A 101 -11.664 8.469 0.557 1.00 0.00 O ATOM 0 H GLY A 101 -12.094 5.284 2.498 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -9.611 6.402 1.623 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -11.030 6.046 0.658 1.00 0.00 H new ATOM 1588 N CYS A 102 -10.517 8.753 2.467 1.00 0.00 N ATOM 1589 CA CYS A 102 -10.808 10.172 2.566 1.00 0.00 C ATOM 1590 C CYS A 102 -9.774 11.006 1.832 1.00 0.00 C ATOM 1591 O CYS A 102 -9.557 12.175 2.153 1.00 0.00 O ATOM 1592 CB CYS A 102 -10.890 10.592 4.036 1.00 0.00 C ATOM 1593 SG CYS A 102 -12.098 9.657 5.005 1.00 0.00 S ATOM 0 H CYS A 102 -9.911 8.395 3.205 1.00 0.00 H new ATOM 0 HA CYS A 102 -11.772 10.351 2.090 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -9.907 10.476 4.491 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -11.141 11.651 4.087 1.00 0.00 H new ATOM 0 HG CYS A 102 -12.092 10.083 6.233 1.00 0.00 H new ATOM 1599 N GLY A 103 -9.148 10.408 0.838 1.00 0.00 N ATOM 1600 CA GLY A 103 -8.202 11.130 0.039 1.00 0.00 C ATOM 1601 C GLY A 103 -8.828 11.684 -1.219 1.00 0.00 C ATOM 1602 O GLY A 103 -9.076 12.886 -1.323 1.00 0.00 O ATOM 0 H GLY A 103 -9.281 9.432 0.573 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -7.782 11.948 0.625 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -7.375 10.471 -0.227 1.00 0.00 H new ATOM 1606 N VAL A 104 -9.098 10.809 -2.175 1.00 0.00 N ATOM 1607 CA VAL A 104 -9.760 11.216 -3.409 1.00 0.00 C ATOM 1608 C VAL A 104 -11.239 10.855 -3.383 1.00 0.00 C ATOM 1609 O VAL A 104 -11.899 10.795 -4.418 1.00 0.00 O ATOM 1610 CB VAL A 104 -9.090 10.617 -4.665 1.00 0.00 C ATOM 1611 CG1 VAL A 104 -7.708 11.216 -4.870 1.00 0.00 C ATOM 1612 CG2 VAL A 104 -9.001 9.104 -4.569 1.00 0.00 C ATOM 0 H VAL A 104 -8.871 9.816 -2.123 1.00 0.00 H new ATOM 0 HA VAL A 104 -9.660 12.300 -3.469 1.00 0.00 H new ATOM 0 HB VAL A 104 -9.710 10.866 -5.526 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -7.252 10.782 -5.760 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -7.794 12.295 -4.996 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -7.086 11.001 -4.001 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -8.525 8.710 -5.467 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -8.411 8.829 -3.695 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -10.003 8.686 -4.476 1.00 0.00 H new ATOM 1622 N GLY A 105 -11.741 10.629 -2.180 1.00 0.00 N ATOM 1623 CA GLY A 105 -13.159 10.400 -1.978 1.00 0.00 C ATOM 1624 C GLY A 105 -13.639 9.034 -2.435 1.00 0.00 C ATOM 1625 O GLY A 105 -14.211 8.900 -3.516 1.00 0.00 O ATOM 0 H GLY A 105 -11.183 10.600 -1.326 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -13.388 10.518 -0.919 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -13.719 11.167 -2.512 1.00 0.00 H new ATOM 1629 N SER A 106 -13.424 8.018 -1.615 1.00 0.00 N ATOM 1630 CA SER A 106 -13.973 6.702 -1.893 1.00 0.00 C ATOM 1631 C SER A 106 -15.356 6.572 -1.261 1.00 0.00 C ATOM 1632 O SER A 106 -15.485 6.437 -0.042 1.00 0.00 O ATOM 1633 CB SER A 106 -13.034 5.609 -1.375 1.00 0.00 C ATOM 1634 OG SER A 106 -13.561 4.312 -1.599 1.00 0.00 O ATOM 0 H SER A 106 -12.876 8.079 -0.757 1.00 0.00 H new ATOM 0 HA SER A 106 -14.070 6.580 -2.972 1.00 0.00 H new ATOM 0 HB2 SER A 106 -12.066 5.698 -1.868 1.00 0.00 H new ATOM 0 HB3 SER A 106 -12.863 5.752 -0.308 1.00 0.00 H new ATOM 0 HG SER A 106 -13.855 4.235 -2.531 1.00 0.00 H new ATOM 1640 N HIS A 107 -16.389 6.650 -2.089 1.00 0.00 N ATOM 1641 CA HIS A 107 -17.761 6.533 -1.615 1.00 0.00 C ATOM 1642 C HIS A 107 -18.390 5.251 -2.135 1.00 0.00 C ATOM 1643 O HIS A 107 -19.002 5.285 -3.219 1.00 0.00 O ATOM 1644 CB HIS A 107 -18.596 7.743 -2.049 1.00 0.00 C ATOM 1645 CG HIS A 107 -18.255 9.013 -1.327 1.00 0.00 C ATOM 1646 ND1 HIS A 107 -19.136 9.661 -0.490 1.00 0.00 N ATOM 1647 CD2 HIS A 107 -17.128 9.762 -1.333 1.00 0.00 C ATOM 1648 CE1 HIS A 107 -18.566 10.751 -0.014 1.00 0.00 C ATOM 1649 NE2 HIS A 107 -17.348 10.836 -0.508 1.00 0.00 N ATOM 0 H HIS A 107 -16.302 6.794 -3.095 1.00 0.00 H new ATOM 0 HA HIS A 107 -17.742 6.503 -0.526 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -18.461 7.899 -3.119 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -19.651 7.519 -1.890 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -16.223 9.553 -1.885 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -19.021 11.455 0.666 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -16.678 11.579 -0.310 1.00 0.00 H new TER 1658 HIS A 107