USER MOD reduce.3.24.130724 H: found=0, std=0, add=641, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 640 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 4 LYS NZ :NH3+ 156:sc= 1.21 (180deg=0.72) USER MOD Set 1.2: A 10 TYR OH : rot 107:sc= 0.244 USER MOD Set 2.1: A 5 HIS :FLIP no HD1:sc= -0.296 F(o=-1,f=-0.3) USER MOD Set 2.2: A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= -0.236 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0406 USER MOD Single : A 20 LYS NZ :NH3+ -173:sc= 1.28 (180deg=1.18) USER MOD Single : A 21 LYS NZ :NH3+ -168:sc= -0.0201 (180deg=-0.169) USER MOD Single : A 23 CYS SG : rot -30:sc= 0.0028 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.29 USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 35 LYS NZ :NH3+ -143:sc= 1.21 (180deg=0.017) USER MOD Single : A 44 THR OG1 : rot -157:sc= -0.669! USER MOD Single : A 46 HIS : no HD1:sc= -1.83 K(o=-1.8,f=-7.6!) USER MOD Single : A 50 SER OG : rot 180:sc= 0.0113 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot -39:sc= 0.669 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -171:sc= 1.26 (180deg=1.17) USER MOD Single : A 78 ASN : amide:sc= 0.596 K(o=0.6,f=0) USER MOD Single : A 80 LYS NZ :NH3+ -176:sc= 1.2 (180deg=1.14) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ -161:sc= 1.21 (180deg=1.11) USER MOD Single : A 85 GLN : amide:sc= -0.217 K(o=-0.22,f=-1.8) USER MOD ----------------------------------------------------------------- ATOM 35 N LYS A 4 9.047 9.934 -4.484 1.00 0.00 N ATOM 36 CA LYS A 4 8.015 10.773 -3.915 1.00 0.00 C ATOM 37 C LYS A 4 8.511 11.575 -2.734 1.00 0.00 C ATOM 38 O LYS A 4 9.654 11.431 -2.303 1.00 0.00 O ATOM 39 CB LYS A 4 6.764 9.967 -3.500 1.00 0.00 C ATOM 40 CG LYS A 4 6.983 8.691 -2.715 1.00 0.00 C ATOM 41 CD LYS A 4 7.853 8.775 -1.488 1.00 0.00 C ATOM 42 CE LYS A 4 7.947 7.414 -0.823 1.00 0.00 C ATOM 43 NZ LYS A 4 8.545 6.364 -1.713 1.00 0.00 N ATOM 0 HA LYS A 4 7.734 11.464 -4.710 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.124 10.621 -2.907 1.00 0.00 H new ATOM 0 HB3 LYS A 4 6.211 9.715 -4.405 1.00 0.00 H new ATOM 0 HG2 LYS A 4 6.008 8.310 -2.412 1.00 0.00 H new ATOM 0 HG3 LYS A 4 7.419 7.952 -3.387 1.00 0.00 H new ATOM 0 HD2 LYS A 4 8.849 9.125 -1.761 1.00 0.00 H new ATOM 0 HD3 LYS A 4 7.441 9.503 -0.789 1.00 0.00 H new ATOM 0 HE2 LYS A 4 8.548 7.499 0.082 1.00 0.00 H new ATOM 0 HE3 LYS A 4 6.950 7.097 -0.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 8.955 5.607 -1.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 7.805 5.967 -2.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 9.290 6.790 -2.301 1.00 0.00 H new ATOM 57 N HIS A 5 7.636 12.388 -2.209 1.00 0.00 N ATOM 58 CA HIS A 5 7.904 13.143 -1.008 1.00 0.00 C ATOM 59 C HIS A 5 6.916 12.713 0.092 1.00 0.00 C ATOM 60 O HIS A 5 7.058 13.087 1.252 1.00 0.00 O ATOM 61 CB HIS A 5 7.787 14.663 -1.287 1.00 0.00 C ATOM 62 CG HIS A 5 6.404 15.126 -1.661 1.00 0.00 C ATOM 63 ND1 HIS A 5 5.410 15.604 -0.874 1.00 0.00 N flip ATOM 64 CD2 HIS A 5 5.893 15.084 -2.939 1.00 0.00 C flip ATOM 65 CE1 HIS A 5 4.290 15.845 -1.651 1.00 0.00 C flip ATOM 66 NE2 HIS A 5 4.632 15.516 -2.887 1.00 0.00 N flip ATOM 0 H HIS A 5 6.709 12.549 -2.603 1.00 0.00 H new ATOM 0 HA HIS A 5 8.921 12.942 -0.673 1.00 0.00 H new ATOM 0 HB2 HIS A 5 8.111 15.208 -0.400 1.00 0.00 H new ATOM 0 HB3 HIS A 5 8.474 14.926 -2.092 1.00 0.00 H new ATOM 0 HD2 HIS A 5 6.419 14.759 -3.825 1.00 0.00 H new ATOM 0 HE1 HIS A 5 3.335 16.223 -1.318 1.00 0.00 H new ATOM 0 HE2 HIS A 5 4.012 15.584 -3.694 1.00 0.00 H new ATOM 74 N SER A 6 5.902 11.933 -0.300 1.00 0.00 N ATOM 75 CA SER A 6 4.868 11.477 0.613 1.00 0.00 C ATOM 76 C SER A 6 4.068 10.383 -0.067 1.00 0.00 C ATOM 77 O SER A 6 4.306 10.091 -1.248 1.00 0.00 O ATOM 78 CB SER A 6 3.927 12.640 0.933 1.00 0.00 C ATOM 79 OG SER A 6 3.303 13.124 -0.260 1.00 0.00 O ATOM 0 H SER A 6 5.782 11.605 -1.258 1.00 0.00 H new ATOM 0 HA SER A 6 5.324 11.104 1.530 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.166 12.315 1.642 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.485 13.445 1.411 1.00 0.00 H new ATOM 0 HG SER A 6 2.703 13.867 -0.037 1.00 0.00 H new ATOM 85 N ILE A 7 3.137 9.778 0.656 1.00 0.00 N ATOM 86 CA ILE A 7 2.237 8.809 0.063 1.00 0.00 C ATOM 87 C ILE A 7 1.234 9.511 -0.849 1.00 0.00 C ATOM 88 O ILE A 7 0.823 8.967 -1.857 1.00 0.00 O ATOM 89 CB ILE A 7 1.463 7.975 1.118 1.00 0.00 C ATOM 90 CG1 ILE A 7 0.638 6.886 0.413 1.00 0.00 C ATOM 91 CG2 ILE A 7 0.583 8.867 1.986 1.00 0.00 C ATOM 92 CD1 ILE A 7 -0.085 5.962 1.340 1.00 0.00 C ATOM 0 H ILE A 7 2.988 9.943 1.652 1.00 0.00 H new ATOM 0 HA ILE A 7 2.860 8.121 -0.509 1.00 0.00 H new ATOM 0 HB ILE A 7 2.180 7.492 1.782 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -0.089 7.365 -0.243 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.301 6.299 -0.222 1.00 0.00 H new ATOM 0 HG21 ILE A 7 0.053 8.255 2.716 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.205 9.596 2.506 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.139 9.389 1.357 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.641 5.226 0.759 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.635 5.451 1.979 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.777 6.534 1.958 1.00 0.00 H new ATOM 104 N SER A 8 0.906 10.757 -0.521 1.00 0.00 N ATOM 105 CA SER A 8 -0.082 11.501 -1.260 1.00 0.00 C ATOM 106 C SER A 8 0.460 11.939 -2.623 1.00 0.00 C ATOM 107 O SER A 8 -0.247 12.557 -3.417 1.00 0.00 O ATOM 108 CB SER A 8 -0.564 12.697 -0.441 1.00 0.00 C ATOM 109 OG SER A 8 -1.035 12.306 0.846 1.00 0.00 O ATOM 0 H SER A 8 1.319 11.267 0.260 1.00 0.00 H new ATOM 0 HA SER A 8 -0.936 10.850 -1.447 1.00 0.00 H new ATOM 0 HB2 SER A 8 0.252 13.411 -0.327 1.00 0.00 H new ATOM 0 HB3 SER A 8 -1.362 13.208 -0.980 1.00 0.00 H new ATOM 0 HG SER A 8 -1.333 13.098 1.340 1.00 0.00 H new ATOM 115 N ASP A 9 1.730 11.650 -2.872 1.00 0.00 N ATOM 116 CA ASP A 9 2.313 11.881 -4.177 1.00 0.00 C ATOM 117 C ASP A 9 2.126 10.636 -5.061 1.00 0.00 C ATOM 118 O ASP A 9 2.266 10.683 -6.292 1.00 0.00 O ATOM 119 CB ASP A 9 3.777 12.272 -4.066 1.00 0.00 C ATOM 120 CG ASP A 9 4.401 12.563 -5.407 1.00 0.00 C ATOM 121 OD1 ASP A 9 3.804 13.299 -6.227 1.00 0.00 O ATOM 122 OD2 ASP A 9 5.496 12.068 -5.673 1.00 0.00 O ATOM 0 H ASP A 9 2.372 11.255 -2.185 1.00 0.00 H new ATOM 0 HA ASP A 9 1.796 12.718 -4.647 1.00 0.00 H new ATOM 0 HB2 ASP A 9 3.867 13.152 -3.429 1.00 0.00 H new ATOM 0 HB3 ASP A 9 4.329 11.468 -3.579 1.00 0.00 H new ATOM 127 N TYR A 10 1.795 9.526 -4.430 1.00 0.00 N ATOM 128 CA TYR A 10 1.435 8.334 -5.155 1.00 0.00 C ATOM 129 C TYR A 10 0.008 8.472 -5.548 1.00 0.00 C ATOM 130 O TYR A 10 -0.804 8.895 -4.747 1.00 0.00 O ATOM 131 CB TYR A 10 1.556 7.055 -4.306 1.00 0.00 C ATOM 132 CG TYR A 10 2.929 6.451 -4.186 1.00 0.00 C ATOM 133 CD1 TYR A 10 3.829 6.878 -3.238 1.00 0.00 C ATOM 134 CD2 TYR A 10 3.309 5.407 -5.023 1.00 0.00 C ATOM 135 CE1 TYR A 10 5.060 6.289 -3.126 1.00 0.00 C ATOM 136 CE2 TYR A 10 4.553 4.822 -4.914 1.00 0.00 C ATOM 137 CZ TYR A 10 5.424 5.274 -3.957 1.00 0.00 C ATOM 138 OH TYR A 10 6.668 4.692 -3.808 1.00 0.00 O ATOM 0 H TYR A 10 1.769 9.430 -3.415 1.00 0.00 H new ATOM 0 HA TYR A 10 2.113 8.238 -6.003 1.00 0.00 H new ATOM 0 HB2 TYR A 10 1.193 7.277 -3.302 1.00 0.00 H new ATOM 0 HB3 TYR A 10 0.889 6.303 -4.727 1.00 0.00 H new ATOM 0 HD1 TYR A 10 3.562 7.687 -2.574 1.00 0.00 H new ATOM 0 HD2 TYR A 10 2.618 5.048 -5.771 1.00 0.00 H new ATOM 0 HE1 TYR A 10 5.750 6.634 -2.370 1.00 0.00 H new ATOM 0 HE2 TYR A 10 4.838 4.017 -5.575 1.00 0.00 H new ATOM 0 HH TYR A 10 6.567 3.801 -3.412 1.00 0.00 H new ATOM 148 N THR A 11 -0.302 8.174 -6.758 1.00 0.00 N ATOM 149 CA THR A 11 -1.664 8.166 -7.180 1.00 0.00 C ATOM 150 C THR A 11 -2.288 6.870 -6.704 1.00 0.00 C ATOM 151 O THR A 11 -1.559 5.974 -6.219 1.00 0.00 O ATOM 152 CB THR A 11 -1.758 8.261 -8.713 1.00 0.00 C ATOM 153 OG1 THR A 11 -0.927 7.257 -9.308 1.00 0.00 O ATOM 154 CG2 THR A 11 -1.336 9.638 -9.208 1.00 0.00 C ATOM 0 H THR A 11 0.373 7.930 -7.483 1.00 0.00 H new ATOM 0 HA THR A 11 -2.189 9.024 -6.760 1.00 0.00 H new ATOM 0 HB THR A 11 -2.797 8.101 -9.002 1.00 0.00 H new ATOM 0 HG1 THR A 11 -0.989 7.317 -10.284 1.00 0.00 H new ATOM 0 HG21 THR A 11 -1.413 9.673 -10.295 1.00 0.00 H new ATOM 0 HG22 THR A 11 -1.987 10.396 -8.773 1.00 0.00 H new ATOM 0 HG23 THR A 11 -0.305 9.831 -8.911 1.00 0.00 H new ATOM 162 N GLU A 12 -3.598 6.742 -6.835 1.00 0.00 N ATOM 163 CA GLU A 12 -4.276 5.515 -6.458 1.00 0.00 C ATOM 164 C GLU A 12 -3.674 4.385 -7.275 1.00 0.00 C ATOM 165 O GLU A 12 -3.367 3.327 -6.757 1.00 0.00 O ATOM 166 CB GLU A 12 -5.773 5.622 -6.748 1.00 0.00 C ATOM 167 CG GLU A 12 -6.583 4.396 -6.357 1.00 0.00 C ATOM 168 CD GLU A 12 -8.014 4.495 -6.809 1.00 0.00 C ATOM 169 OE1 GLU A 12 -8.839 5.096 -6.095 1.00 0.00 O ATOM 170 OE2 GLU A 12 -8.344 3.993 -7.898 1.00 0.00 O ATOM 0 H GLU A 12 -4.211 7.471 -7.199 1.00 0.00 H new ATOM 0 HA GLU A 12 -4.151 5.330 -5.391 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -6.171 6.488 -6.219 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -5.911 5.808 -7.813 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -6.127 3.507 -6.792 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.553 4.272 -5.274 1.00 0.00 H new ATOM 177 N ALA A 13 -3.432 4.685 -8.536 1.00 0.00 N ATOM 178 CA ALA A 13 -2.857 3.739 -9.472 1.00 0.00 C ATOM 179 C ALA A 13 -1.432 3.338 -9.077 1.00 0.00 C ATOM 180 O ALA A 13 -1.139 2.150 -8.967 1.00 0.00 O ATOM 181 CB ALA A 13 -2.874 4.304 -10.879 1.00 0.00 C ATOM 0 H ALA A 13 -3.630 5.599 -8.943 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.472 2.840 -9.443 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.438 3.580 -11.567 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.902 4.513 -11.175 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.294 5.226 -10.908 1.00 0.00 H new ATOM 187 N GLU A 14 -0.565 4.315 -8.835 1.00 0.00 N ATOM 188 CA GLU A 14 0.841 4.031 -8.498 1.00 0.00 C ATOM 189 C GLU A 14 0.995 3.350 -7.160 1.00 0.00 C ATOM 190 O GLU A 14 1.905 2.538 -6.966 1.00 0.00 O ATOM 191 CB GLU A 14 1.704 5.278 -8.572 1.00 0.00 C ATOM 192 CG GLU A 14 1.834 5.829 -9.971 1.00 0.00 C ATOM 193 CD GLU A 14 2.433 4.829 -10.919 1.00 0.00 C ATOM 194 OE1 GLU A 14 3.670 4.752 -11.006 1.00 0.00 O ATOM 195 OE2 GLU A 14 1.681 4.115 -11.602 1.00 0.00 O ATOM 0 H GLU A 14 -0.801 5.307 -8.863 1.00 0.00 H new ATOM 0 HA GLU A 14 1.194 3.331 -9.255 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.279 6.045 -7.924 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.697 5.048 -8.185 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.851 6.129 -10.335 1.00 0.00 H new ATOM 0 HG3 GLU A 14 2.454 6.725 -9.951 1.00 0.00 H new ATOM 202 N PHE A 15 0.119 3.659 -6.241 1.00 0.00 N ATOM 203 CA PHE A 15 0.132 3.004 -4.957 1.00 0.00 C ATOM 204 C PHE A 15 -0.411 1.616 -5.109 1.00 0.00 C ATOM 205 O PHE A 15 -0.002 0.724 -4.455 1.00 0.00 O ATOM 206 CB PHE A 15 -0.650 3.782 -3.920 1.00 0.00 C ATOM 207 CG PHE A 15 -0.534 3.216 -2.542 1.00 0.00 C ATOM 208 CD1 PHE A 15 0.530 3.566 -1.735 1.00 0.00 C ATOM 209 CD2 PHE A 15 -1.495 2.348 -2.045 1.00 0.00 C ATOM 210 CE1 PHE A 15 0.637 3.062 -0.462 1.00 0.00 C ATOM 211 CE2 PHE A 15 -1.396 1.852 -0.774 1.00 0.00 C ATOM 212 CZ PHE A 15 -0.329 2.207 0.019 1.00 0.00 C ATOM 0 H PHE A 15 -0.613 4.360 -6.356 1.00 0.00 H new ATOM 0 HA PHE A 15 1.161 2.956 -4.601 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -0.301 4.814 -3.911 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -1.701 3.803 -4.209 1.00 0.00 H new ATOM 0 HD1 PHE A 15 1.285 4.242 -2.108 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -2.330 2.061 -2.668 1.00 0.00 H new ATOM 0 HE1 PHE A 15 1.476 3.336 0.160 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -2.154 1.183 -0.394 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.249 1.814 1.022 1.00 0.00 H new ATOM 222 N LEU A 16 -1.316 1.445 -5.993 1.00 0.00 N ATOM 223 CA LEU A 16 -1.877 0.135 -6.262 1.00 0.00 C ATOM 224 C LEU A 16 -0.819 -0.724 -6.904 1.00 0.00 C ATOM 225 O LEU A 16 -0.818 -1.946 -6.794 1.00 0.00 O ATOM 226 CB LEU A 16 -3.085 0.330 -7.142 1.00 0.00 C ATOM 227 CG LEU A 16 -4.076 -0.748 -7.165 1.00 0.00 C ATOM 228 CD1 LEU A 16 -5.426 -0.189 -7.451 1.00 0.00 C ATOM 229 CD2 LEU A 16 -3.776 -1.761 -8.165 1.00 0.00 C ATOM 0 H LEU A 16 -1.705 2.196 -6.564 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.194 -0.375 -5.352 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.588 1.245 -6.828 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.737 0.491 -8.162 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.049 -1.220 -6.183 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -6.158 -0.996 -7.467 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.694 0.529 -6.676 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.415 0.310 -8.420 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.542 -2.536 -8.139 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.757 -1.302 -9.154 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.803 -2.205 -7.953 1.00 0.00 H new ATOM 241 N GLU A 17 0.076 -0.083 -7.532 1.00 0.00 N ATOM 242 CA GLU A 17 1.196 -0.745 -8.059 1.00 0.00 C ATOM 243 C GLU A 17 2.190 -1.130 -6.941 1.00 0.00 C ATOM 244 O GLU A 17 3.001 -2.008 -7.150 1.00 0.00 O ATOM 245 CB GLU A 17 1.884 0.043 -9.166 1.00 0.00 C ATOM 246 CG GLU A 17 1.046 0.244 -10.413 1.00 0.00 C ATOM 247 CD GLU A 17 0.635 -1.057 -11.054 1.00 0.00 C ATOM 248 OE1 GLU A 17 1.523 -1.818 -11.524 1.00 0.00 O ATOM 249 OE2 GLU A 17 -0.577 -1.344 -11.114 1.00 0.00 O ATOM 0 H GLU A 17 0.055 0.923 -7.698 1.00 0.00 H new ATOM 0 HA GLU A 17 0.828 -1.661 -8.520 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.170 1.020 -8.775 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.804 -0.472 -9.442 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.154 0.816 -10.158 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.610 0.837 -11.133 1.00 0.00 H new ATOM 256 N PHE A 18 2.109 -0.457 -5.750 1.00 0.00 N ATOM 257 CA PHE A 18 2.997 -0.762 -4.587 1.00 0.00 C ATOM 258 C PHE A 18 2.863 -2.208 -4.271 1.00 0.00 C ATOM 259 O PHE A 18 3.819 -2.956 -4.254 1.00 0.00 O ATOM 260 CB PHE A 18 2.656 0.120 -3.266 1.00 0.00 C ATOM 261 CG PHE A 18 1.866 -0.557 -2.050 1.00 0.00 C ATOM 262 CD1 PHE A 18 0.471 -0.685 -2.041 1.00 0.00 C ATOM 263 CD2 PHE A 18 2.540 -1.037 -0.932 1.00 0.00 C ATOM 264 CE1 PHE A 18 -0.203 -1.272 -0.964 1.00 0.00 C ATOM 265 CE2 PHE A 18 1.864 -1.615 0.133 1.00 0.00 C ATOM 266 CZ PHE A 18 0.497 -1.733 0.113 1.00 0.00 C ATOM 0 H PHE A 18 1.442 0.294 -5.574 1.00 0.00 H new ATOM 0 HA PHE A 18 4.018 -0.504 -4.870 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.600 0.498 -2.873 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.077 0.985 -3.591 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -0.097 -0.322 -2.885 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.616 -0.958 -0.892 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -1.279 -1.360 -0.985 1.00 0.00 H new ATOM 0 HE2 PHE A 18 2.419 -1.976 0.986 1.00 0.00 H new ATOM 0 HZ PHE A 18 -0.022 -2.188 0.944 1.00 0.00 H new ATOM 276 N VAL A 19 1.647 -2.590 -4.133 1.00 0.00 N ATOM 277 CA VAL A 19 1.292 -3.893 -3.690 1.00 0.00 C ATOM 278 C VAL A 19 1.543 -4.947 -4.759 1.00 0.00 C ATOM 279 O VAL A 19 1.985 -6.063 -4.454 1.00 0.00 O ATOM 280 CB VAL A 19 -0.160 -3.900 -3.155 1.00 0.00 C ATOM 281 CG1 VAL A 19 -1.162 -3.500 -4.202 1.00 0.00 C ATOM 282 CG2 VAL A 19 -0.509 -5.195 -2.471 1.00 0.00 C ATOM 0 H VAL A 19 0.846 -1.990 -4.330 1.00 0.00 H new ATOM 0 HA VAL A 19 1.943 -4.166 -2.859 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.212 -3.129 -2.386 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.164 -3.522 -3.774 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -0.939 -2.492 -4.553 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.110 -4.196 -5.040 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.538 -5.152 -2.113 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.405 -6.019 -3.177 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.163 -5.353 -1.627 1.00 0.00 H new ATOM 292 N LYS A 20 1.307 -4.581 -6.001 1.00 0.00 N ATOM 293 CA LYS A 20 1.581 -5.472 -7.103 1.00 0.00 C ATOM 294 C LYS A 20 3.084 -5.708 -7.185 1.00 0.00 C ATOM 295 O LYS A 20 3.549 -6.839 -7.345 1.00 0.00 O ATOM 296 CB LYS A 20 1.114 -4.883 -8.406 1.00 0.00 C ATOM 297 CG LYS A 20 -0.362 -4.657 -8.488 1.00 0.00 C ATOM 298 CD LYS A 20 -0.713 -4.198 -9.853 1.00 0.00 C ATOM 299 CE LYS A 20 -2.161 -3.859 -10.028 1.00 0.00 C ATOM 300 NZ LYS A 20 -2.415 -3.311 -11.378 1.00 0.00 N ATOM 0 H LYS A 20 0.927 -3.674 -6.270 1.00 0.00 H new ATOM 0 HA LYS A 20 1.048 -6.407 -6.932 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.624 -3.933 -8.565 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.414 -5.545 -9.218 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.896 -5.578 -8.253 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.669 -3.914 -7.752 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.113 -3.321 -10.096 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.444 -4.976 -10.567 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.769 -4.750 -9.873 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.462 -3.132 -9.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.397 -2.974 -11.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.766 -2.519 -11.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.261 -4.054 -12.089 1.00 0.00 H new ATOM 314 N LYS A 21 3.836 -4.608 -7.033 1.00 0.00 N ATOM 315 CA LYS A 21 5.287 -4.619 -7.035 1.00 0.00 C ATOM 316 C LYS A 21 5.790 -5.508 -5.931 1.00 0.00 C ATOM 317 O LYS A 21 6.671 -6.288 -6.150 1.00 0.00 O ATOM 318 CB LYS A 21 5.859 -3.188 -6.865 1.00 0.00 C ATOM 319 CG LYS A 21 7.386 -3.115 -6.850 1.00 0.00 C ATOM 320 CD LYS A 21 7.896 -1.688 -6.618 1.00 0.00 C ATOM 321 CE LYS A 21 7.580 -0.752 -7.785 1.00 0.00 C ATOM 322 NZ LYS A 21 8.248 -1.184 -9.040 1.00 0.00 N ATOM 0 H LYS A 21 3.437 -3.678 -6.904 1.00 0.00 H new ATOM 0 HA LYS A 21 5.625 -5.005 -7.997 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.486 -2.562 -7.676 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.478 -2.766 -5.935 1.00 0.00 H new ATOM 0 HG2 LYS A 21 7.771 -3.768 -6.067 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.775 -3.488 -7.797 1.00 0.00 H new ATOM 0 HD2 LYS A 21 7.449 -1.290 -5.707 1.00 0.00 H new ATOM 0 HD3 LYS A 21 8.974 -1.713 -6.459 1.00 0.00 H new ATOM 0 HE2 LYS A 21 6.502 -0.718 -7.941 1.00 0.00 H new ATOM 0 HE3 LYS A 21 7.898 0.260 -7.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 8.179 -0.426 -9.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 9.249 -1.388 -8.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 7.784 -2.041 -9.403 1.00 0.00 H new ATOM 336 N ILE A 22 5.187 -5.398 -4.760 1.00 0.00 N ATOM 337 CA ILE A 22 5.572 -6.207 -3.613 1.00 0.00 C ATOM 338 C ILE A 22 5.324 -7.692 -3.871 1.00 0.00 C ATOM 339 O ILE A 22 6.123 -8.531 -3.493 1.00 0.00 O ATOM 340 CB ILE A 22 4.848 -5.757 -2.315 1.00 0.00 C ATOM 341 CG1 ILE A 22 5.222 -4.314 -1.998 1.00 0.00 C ATOM 342 CG2 ILE A 22 5.220 -6.668 -1.145 1.00 0.00 C ATOM 343 CD1 ILE A 22 4.539 -3.739 -0.799 1.00 0.00 C ATOM 0 H ILE A 22 4.421 -4.750 -4.576 1.00 0.00 H new ATOM 0 HA ILE A 22 6.642 -6.055 -3.468 1.00 0.00 H new ATOM 0 HB ILE A 22 3.771 -5.826 -2.470 1.00 0.00 H new ATOM 0 HG12 ILE A 22 6.300 -4.258 -1.847 1.00 0.00 H new ATOM 0 HG13 ILE A 22 4.989 -3.694 -2.864 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.702 -6.335 -0.246 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.927 -7.693 -1.374 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.297 -6.627 -0.980 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.867 -2.710 -0.652 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.460 -3.758 -0.951 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.791 -4.330 0.082 1.00 0.00 H new ATOM 355 N CYS A 23 4.249 -8.010 -4.542 1.00 0.00 N ATOM 356 CA CYS A 23 3.932 -9.396 -4.817 1.00 0.00 C ATOM 357 C CYS A 23 4.932 -10.002 -5.829 1.00 0.00 C ATOM 358 O CYS A 23 5.160 -11.213 -5.851 1.00 0.00 O ATOM 359 CB CYS A 23 2.491 -9.526 -5.316 1.00 0.00 C ATOM 360 SG CYS A 23 1.920 -11.226 -5.461 1.00 0.00 S ATOM 0 H CYS A 23 3.578 -7.336 -4.909 1.00 0.00 H new ATOM 0 HA CYS A 23 4.021 -9.960 -3.889 1.00 0.00 H new ATOM 0 HB2 CYS A 23 1.831 -8.988 -4.635 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.409 -9.041 -6.289 1.00 0.00 H new ATOM 0 HG CYS A 23 2.929 -12.002 -5.726 1.00 0.00 H new ATOM 366 N ARG A 24 5.488 -9.158 -6.677 1.00 0.00 N ATOM 367 CA ARG A 24 6.499 -9.563 -7.646 1.00 0.00 C ATOM 368 C ARG A 24 7.936 -9.194 -7.205 1.00 0.00 C ATOM 369 O ARG A 24 8.892 -9.385 -7.955 1.00 0.00 O ATOM 370 CB ARG A 24 6.177 -9.023 -9.046 1.00 0.00 C ATOM 371 CG ARG A 24 6.108 -7.523 -9.184 1.00 0.00 C ATOM 372 CD ARG A 24 5.771 -7.176 -10.615 1.00 0.00 C ATOM 373 NE ARG A 24 5.710 -5.720 -10.880 1.00 0.00 N ATOM 374 CZ ARG A 24 5.972 -5.154 -12.081 1.00 0.00 C ATOM 375 NH1 ARG A 24 6.365 -5.902 -13.104 1.00 0.00 N ATOM 376 NH2 ARG A 24 5.844 -3.845 -12.246 1.00 0.00 N ATOM 0 H ARG A 24 5.253 -8.166 -6.717 1.00 0.00 H new ATOM 0 HA ARG A 24 6.468 -10.652 -7.693 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.932 -9.396 -9.738 1.00 0.00 H new ATOM 0 HB3 ARG A 24 5.221 -9.440 -9.362 1.00 0.00 H new ATOM 0 HG2 ARG A 24 5.353 -7.117 -8.510 1.00 0.00 H new ATOM 0 HG3 ARG A 24 7.061 -7.075 -8.902 1.00 0.00 H new ATOM 0 HD2 ARG A 24 6.516 -7.624 -11.273 1.00 0.00 H new ATOM 0 HD3 ARG A 24 4.810 -7.623 -10.870 1.00 0.00 H new ATOM 0 HE ARG A 24 5.454 -5.105 -10.108 1.00 0.00 H new ATOM 0 HH11 ARG A 24 6.471 -6.910 -12.988 1.00 0.00 H new ATOM 0 HH12 ARG A 24 6.561 -5.469 -14.007 1.00 0.00 H new ATOM 0 HH21 ARG A 24 5.547 -3.259 -11.466 1.00 0.00 H new ATOM 0 HH22 ARG A 24 6.043 -3.423 -13.153 1.00 0.00 H new ATOM 390 N ALA A 25 8.073 -8.722 -5.977 1.00 0.00 N ATOM 391 CA ALA A 25 9.310 -8.099 -5.457 1.00 0.00 C ATOM 392 C ALA A 25 10.454 -9.052 -5.133 1.00 0.00 C ATOM 393 O ALA A 25 11.374 -8.641 -4.427 1.00 0.00 O ATOM 394 CB ALA A 25 9.007 -7.243 -4.247 1.00 0.00 C ATOM 0 H ALA A 25 7.321 -8.755 -5.289 1.00 0.00 H new ATOM 0 HA ALA A 25 9.670 -7.494 -6.289 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.929 -6.793 -3.879 1.00 0.00 H new ATOM 0 HB2 ALA A 25 8.305 -6.456 -4.524 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.568 -7.862 -3.464 1.00 0.00 H new ATOM 400 N GLU A 26 10.436 -10.262 -5.717 1.00 0.00 N ATOM 401 CA GLU A 26 11.464 -11.310 -5.502 1.00 0.00 C ATOM 402 C GLU A 26 12.868 -10.727 -5.421 1.00 0.00 C ATOM 403 O GLU A 26 13.585 -10.953 -4.441 1.00 0.00 O ATOM 404 CB GLU A 26 11.411 -12.336 -6.631 1.00 0.00 C ATOM 405 CG GLU A 26 10.115 -13.112 -6.696 1.00 0.00 C ATOM 406 CD GLU A 26 9.885 -13.937 -5.458 1.00 0.00 C ATOM 407 OE1 GLU A 26 10.309 -15.102 -5.425 1.00 0.00 O ATOM 408 OE2 GLU A 26 9.263 -13.441 -4.503 1.00 0.00 O ATOM 0 H GLU A 26 9.700 -10.550 -6.361 1.00 0.00 H new ATOM 0 HA GLU A 26 11.241 -11.789 -4.548 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.564 -11.824 -7.581 1.00 0.00 H new ATOM 0 HB3 GLU A 26 12.237 -13.037 -6.510 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.284 -12.419 -6.828 1.00 0.00 H new ATOM 0 HG3 GLU A 26 10.127 -13.765 -7.569 1.00 0.00 H new ATOM 415 N GLY A 27 13.235 -9.966 -6.460 1.00 0.00 N ATOM 416 CA GLY A 27 14.501 -9.269 -6.500 1.00 0.00 C ATOM 417 C GLY A 27 15.677 -10.158 -6.193 1.00 0.00 C ATOM 418 O GLY A 27 15.877 -11.200 -6.851 1.00 0.00 O ATOM 0 H GLY A 27 12.656 -9.824 -7.288 1.00 0.00 H new ATOM 0 HA2 GLY A 27 14.635 -8.828 -7.488 1.00 0.00 H new ATOM 0 HA3 GLY A 27 14.479 -8.447 -5.785 1.00 0.00 H new ATOM 422 N ALA A 28 16.430 -9.772 -5.189 1.00 0.00 N ATOM 423 CA ALA A 28 17.583 -10.518 -4.771 1.00 0.00 C ATOM 424 C ALA A 28 17.219 -11.536 -3.699 1.00 0.00 C ATOM 425 O ALA A 28 17.709 -12.666 -3.711 1.00 0.00 O ATOM 426 CB ALA A 28 18.675 -9.585 -4.277 1.00 0.00 C ATOM 0 H ALA A 28 16.256 -8.929 -4.641 1.00 0.00 H new ATOM 0 HA ALA A 28 17.962 -11.063 -5.636 1.00 0.00 H new ATOM 0 HB1 ALA A 28 19.540 -10.170 -3.965 1.00 0.00 H new ATOM 0 HB2 ALA A 28 18.966 -8.908 -5.080 1.00 0.00 H new ATOM 0 HB3 ALA A 28 18.304 -9.006 -3.431 1.00 0.00 H new ATOM 432 N THR A 29 16.379 -11.132 -2.771 1.00 0.00 N ATOM 433 CA THR A 29 15.940 -11.969 -1.663 1.00 0.00 C ATOM 434 C THR A 29 14.685 -11.294 -1.083 1.00 0.00 C ATOM 435 O THR A 29 14.493 -10.098 -1.304 1.00 0.00 O ATOM 436 CB THR A 29 17.032 -12.053 -0.531 1.00 0.00 C ATOM 437 OG1 THR A 29 18.338 -12.287 -1.081 1.00 0.00 O ATOM 438 CG2 THR A 29 16.730 -13.177 0.460 1.00 0.00 C ATOM 0 H THR A 29 15.972 -10.197 -2.760 1.00 0.00 H new ATOM 0 HA THR A 29 15.751 -12.983 -2.017 1.00 0.00 H new ATOM 0 HB THR A 29 17.011 -11.093 -0.016 1.00 0.00 H new ATOM 0 HG1 THR A 29 18.995 -12.333 -0.355 1.00 0.00 H new ATOM 0 HG21 THR A 29 17.505 -13.204 1.226 1.00 0.00 H new ATOM 0 HG22 THR A 29 15.762 -12.999 0.929 1.00 0.00 H new ATOM 0 HG23 THR A 29 16.708 -14.131 -0.067 1.00 0.00 H new ATOM 446 N GLU A 30 13.892 -12.035 -0.308 1.00 0.00 N ATOM 447 CA GLU A 30 12.622 -11.562 0.302 1.00 0.00 C ATOM 448 C GLU A 30 12.779 -10.337 1.221 1.00 0.00 C ATOM 449 O GLU A 30 11.788 -9.728 1.648 1.00 0.00 O ATOM 450 CB GLU A 30 11.933 -12.698 1.053 1.00 0.00 C ATOM 451 CG GLU A 30 12.791 -13.321 2.135 1.00 0.00 C ATOM 452 CD GLU A 30 12.062 -14.382 2.904 1.00 0.00 C ATOM 453 OE1 GLU A 30 12.012 -15.544 2.441 1.00 0.00 O ATOM 454 OE2 GLU A 30 11.542 -14.084 3.991 1.00 0.00 O ATOM 0 H GLU A 30 14.108 -13.004 -0.074 1.00 0.00 H new ATOM 0 HA GLU A 30 12.001 -11.234 -0.532 1.00 0.00 H new ATOM 0 HB2 GLU A 30 11.015 -12.320 1.502 1.00 0.00 H new ATOM 0 HB3 GLU A 30 11.645 -13.471 0.340 1.00 0.00 H new ATOM 0 HG2 GLU A 30 13.684 -13.753 1.683 1.00 0.00 H new ATOM 0 HG3 GLU A 30 13.126 -12.544 2.822 1.00 0.00 H new ATOM 461 N GLU A 31 14.009 -9.978 1.526 1.00 0.00 N ATOM 462 CA GLU A 31 14.276 -8.802 2.321 1.00 0.00 C ATOM 463 C GLU A 31 14.003 -7.553 1.478 1.00 0.00 C ATOM 464 O GLU A 31 13.752 -6.462 2.011 1.00 0.00 O ATOM 465 CB GLU A 31 15.721 -8.793 2.818 1.00 0.00 C ATOM 466 CG GLU A 31 16.749 -8.773 1.706 1.00 0.00 C ATOM 467 CD GLU A 31 18.147 -8.633 2.212 1.00 0.00 C ATOM 468 OE1 GLU A 31 18.609 -7.486 2.420 1.00 0.00 O ATOM 469 OE2 GLU A 31 18.814 -9.645 2.401 1.00 0.00 O ATOM 0 H GLU A 31 14.842 -10.488 1.233 1.00 0.00 H new ATOM 0 HA GLU A 31 13.621 -8.810 3.193 1.00 0.00 H new ATOM 0 HB2 GLU A 31 15.871 -7.921 3.455 1.00 0.00 H new ATOM 0 HB3 GLU A 31 15.888 -9.673 3.439 1.00 0.00 H new ATOM 0 HG2 GLU A 31 16.668 -9.692 1.126 1.00 0.00 H new ATOM 0 HG3 GLU A 31 16.528 -7.948 1.028 1.00 0.00 H new ATOM 476 N ASP A 32 14.033 -7.732 0.163 1.00 0.00 N ATOM 477 CA ASP A 32 13.792 -6.655 -0.765 1.00 0.00 C ATOM 478 C ASP A 32 12.308 -6.339 -0.754 1.00 0.00 C ATOM 479 O ASP A 32 11.908 -5.167 -0.695 1.00 0.00 O ATOM 480 CB ASP A 32 14.285 -7.020 -2.180 1.00 0.00 C ATOM 481 CG ASP A 32 14.274 -5.833 -3.113 1.00 0.00 C ATOM 482 OD1 ASP A 32 14.392 -4.686 -2.631 1.00 0.00 O ATOM 483 OD2 ASP A 32 14.240 -6.015 -4.348 1.00 0.00 O ATOM 0 H ASP A 32 14.226 -8.630 -0.281 1.00 0.00 H new ATOM 0 HA ASP A 32 14.352 -5.771 -0.461 1.00 0.00 H new ATOM 0 HB2 ASP A 32 15.296 -7.421 -2.118 1.00 0.00 H new ATOM 0 HB3 ASP A 32 13.654 -7.808 -2.590 1.00 0.00 H new ATOM 488 N ASP A 33 11.502 -7.406 -0.743 1.00 0.00 N ATOM 489 CA ASP A 33 10.039 -7.322 -0.608 1.00 0.00 C ATOM 490 C ASP A 33 9.710 -6.543 0.638 1.00 0.00 C ATOM 491 O ASP A 33 8.976 -5.551 0.616 1.00 0.00 O ATOM 492 CB ASP A 33 9.423 -8.717 -0.381 1.00 0.00 C ATOM 493 CG ASP A 33 9.664 -9.727 -1.456 1.00 0.00 C ATOM 494 OD1 ASP A 33 10.810 -10.144 -1.636 1.00 0.00 O ATOM 495 OD2 ASP A 33 8.679 -10.209 -2.053 1.00 0.00 O ATOM 0 H ASP A 33 11.847 -8.362 -0.828 1.00 0.00 H new ATOM 0 HA ASP A 33 9.651 -6.864 -1.518 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.812 -9.115 0.556 1.00 0.00 H new ATOM 0 HB3 ASP A 33 8.347 -8.600 -0.256 1.00 0.00 H new ATOM 500 N ASN A 34 10.288 -7.001 1.734 1.00 0.00 N ATOM 501 CA ASN A 34 10.035 -6.465 3.042 1.00 0.00 C ATOM 502 C ASN A 34 10.447 -5.001 3.175 1.00 0.00 C ATOM 503 O ASN A 34 9.717 -4.222 3.776 1.00 0.00 O ATOM 504 CB ASN A 34 10.682 -7.357 4.101 1.00 0.00 C ATOM 505 CG ASN A 34 10.452 -6.915 5.532 1.00 0.00 C ATOM 506 OD1 ASN A 34 9.442 -6.308 5.863 1.00 0.00 O ATOM 507 ND2 ASN A 34 11.371 -7.240 6.386 1.00 0.00 N ATOM 0 H ASN A 34 10.958 -7.770 1.730 1.00 0.00 H new ATOM 0 HA ASN A 34 8.957 -6.468 3.204 1.00 0.00 H new ATOM 0 HB2 ASN A 34 10.301 -8.371 3.983 1.00 0.00 H new ATOM 0 HB3 ASN A 34 11.755 -7.396 3.916 1.00 0.00 H new ATOM 0 HD21 ASN A 34 11.265 -6.990 7.369 1.00 0.00 H new ATOM 0 HD22 ASN A 34 12.200 -7.746 6.075 1.00 0.00 H new ATOM 514 N LYS A 35 11.572 -4.584 2.569 1.00 0.00 N ATOM 515 CA LYS A 35 11.940 -3.182 2.692 1.00 0.00 C ATOM 516 C LYS A 35 11.011 -2.286 1.878 1.00 0.00 C ATOM 517 O LYS A 35 10.890 -1.088 2.153 1.00 0.00 O ATOM 518 CB LYS A 35 13.434 -2.865 2.455 1.00 0.00 C ATOM 519 CG LYS A 35 13.987 -2.997 1.039 1.00 0.00 C ATOM 520 CD LYS A 35 15.432 -2.483 1.033 1.00 0.00 C ATOM 521 CE LYS A 35 16.084 -2.453 -0.350 1.00 0.00 C ATOM 522 NZ LYS A 35 16.224 -3.789 -0.956 1.00 0.00 N ATOM 0 H LYS A 35 12.205 -5.167 2.021 1.00 0.00 H new ATOM 0 HA LYS A 35 11.797 -2.948 3.747 1.00 0.00 H new ATOM 0 HB2 LYS A 35 13.614 -1.843 2.788 1.00 0.00 H new ATOM 0 HB3 LYS A 35 14.019 -3.518 3.102 1.00 0.00 H new ATOM 0 HG2 LYS A 35 13.953 -4.037 0.714 1.00 0.00 H new ATOM 0 HG3 LYS A 35 13.378 -2.425 0.339 1.00 0.00 H new ATOM 0 HD2 LYS A 35 15.449 -1.477 1.452 1.00 0.00 H new ATOM 0 HD3 LYS A 35 16.032 -3.112 1.691 1.00 0.00 H new ATOM 0 HE2 LYS A 35 15.490 -1.822 -1.011 1.00 0.00 H new ATOM 0 HE3 LYS A 35 17.069 -1.993 -0.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 17.120 -3.840 -1.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 16.220 -4.512 -0.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 15.431 -3.960 -1.607 1.00 0.00 H new ATOM 536 N LEU A 36 10.339 -2.858 0.884 1.00 0.00 N ATOM 537 CA LEU A 36 9.294 -2.127 0.191 1.00 0.00 C ATOM 538 C LEU A 36 8.133 -1.963 1.133 1.00 0.00 C ATOM 539 O LEU A 36 7.703 -0.843 1.406 1.00 0.00 O ATOM 540 CB LEU A 36 8.828 -2.825 -1.096 1.00 0.00 C ATOM 541 CG LEU A 36 9.803 -2.826 -2.266 1.00 0.00 C ATOM 542 CD1 LEU A 36 9.238 -3.649 -3.406 1.00 0.00 C ATOM 543 CD2 LEU A 36 10.059 -1.399 -2.733 1.00 0.00 C ATOM 0 H LEU A 36 10.498 -3.808 0.548 1.00 0.00 H new ATOM 0 HA LEU A 36 9.698 -1.161 -0.112 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.587 -3.860 -0.853 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.903 -2.351 -1.424 1.00 0.00 H new ATOM 0 HG LEU A 36 10.746 -3.266 -1.942 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.940 -3.646 -4.240 1.00 0.00 H new ATOM 0 HD12 LEU A 36 9.078 -4.674 -3.070 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.289 -3.220 -3.729 1.00 0.00 H new ATOM 0 HD21 LEU A 36 10.757 -1.410 -3.570 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.120 -0.946 -3.050 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.483 -0.819 -1.914 1.00 0.00 H new ATOM 555 N VAL A 37 7.683 -3.086 1.696 1.00 0.00 N ATOM 556 CA VAL A 37 6.557 -3.103 2.635 1.00 0.00 C ATOM 557 C VAL A 37 6.801 -2.111 3.784 1.00 0.00 C ATOM 558 O VAL A 37 5.903 -1.397 4.205 1.00 0.00 O ATOM 559 CB VAL A 37 6.311 -4.521 3.246 1.00 0.00 C ATOM 560 CG1 VAL A 37 5.052 -4.504 4.089 1.00 0.00 C ATOM 561 CG2 VAL A 37 6.179 -5.579 2.172 1.00 0.00 C ATOM 0 H VAL A 37 8.086 -4.006 1.516 1.00 0.00 H new ATOM 0 HA VAL A 37 5.674 -2.816 2.064 1.00 0.00 H new ATOM 0 HB VAL A 37 7.174 -4.770 3.863 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.884 -5.494 4.513 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.163 -3.779 4.895 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.201 -4.227 3.467 1.00 0.00 H new ATOM 0 HG21 VAL A 37 6.009 -6.550 2.637 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.338 -5.335 1.523 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.095 -5.615 1.582 1.00 0.00 H new ATOM 571 N ARG A 38 8.028 -2.055 4.250 1.00 0.00 N ATOM 572 CA ARG A 38 8.390 -1.176 5.333 1.00 0.00 C ATOM 573 C ARG A 38 8.271 0.301 5.014 1.00 0.00 C ATOM 574 O ARG A 38 7.834 1.076 5.869 1.00 0.00 O ATOM 575 CB ARG A 38 9.742 -1.508 5.897 1.00 0.00 C ATOM 576 CG ARG A 38 9.731 -2.808 6.650 1.00 0.00 C ATOM 577 CD ARG A 38 11.063 -3.100 7.258 1.00 0.00 C ATOM 578 NE ARG A 38 11.516 -2.006 8.120 1.00 0.00 N ATOM 579 CZ ARG A 38 11.458 -1.981 9.456 1.00 0.00 C ATOM 580 NH1 ARG A 38 10.865 -2.970 10.127 1.00 0.00 N ATOM 581 NH2 ARG A 38 11.977 -0.947 10.110 1.00 0.00 N ATOM 0 H ARG A 38 8.799 -2.616 3.889 1.00 0.00 H new ATOM 0 HA ARG A 38 7.642 -1.364 6.103 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.469 -1.564 5.087 1.00 0.00 H new ATOM 0 HB3 ARG A 38 10.065 -0.706 6.561 1.00 0.00 H new ATOM 0 HG2 ARG A 38 8.973 -2.770 7.433 1.00 0.00 H new ATOM 0 HG3 ARG A 38 9.452 -3.618 5.976 1.00 0.00 H new ATOM 0 HD2 ARG A 38 11.004 -4.021 7.839 1.00 0.00 H new ATOM 0 HD3 ARG A 38 11.795 -3.268 6.468 1.00 0.00 H new ATOM 0 HE ARG A 38 11.912 -1.187 7.659 1.00 0.00 H new ATOM 0 HH11 ARG A 38 10.451 -3.753 9.621 1.00 0.00 H new ATOM 0 HH12 ARG A 38 10.825 -2.943 11.146 1.00 0.00 H new ATOM 0 HH21 ARG A 38 12.414 -0.184 9.593 1.00 0.00 H new ATOM 0 HH22 ARG A 38 11.939 -0.917 11.129 1.00 0.00 H new ATOM 595 N GLU A 39 8.640 0.721 3.808 1.00 0.00 N ATOM 596 CA GLU A 39 8.524 2.135 3.503 1.00 0.00 C ATOM 597 C GLU A 39 7.065 2.495 3.317 1.00 0.00 C ATOM 598 O GLU A 39 6.590 3.484 3.863 1.00 0.00 O ATOM 599 CB GLU A 39 9.352 2.597 2.283 1.00 0.00 C ATOM 600 CG GLU A 39 8.859 2.116 0.925 1.00 0.00 C ATOM 601 CD GLU A 39 9.465 2.902 -0.197 1.00 0.00 C ATOM 602 OE1 GLU A 39 9.001 4.028 -0.468 1.00 0.00 O ATOM 603 OE2 GLU A 39 10.432 2.435 -0.827 1.00 0.00 O ATOM 0 H GLU A 39 9.005 0.132 3.060 1.00 0.00 H new ATOM 0 HA GLU A 39 8.946 2.666 4.356 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.374 3.687 2.275 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.379 2.258 2.416 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.103 1.061 0.803 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.773 2.199 0.882 1.00 0.00 H new ATOM 610 N PHE A 40 6.345 1.635 2.607 1.00 0.00 N ATOM 611 CA PHE A 40 4.957 1.871 2.305 1.00 0.00 C ATOM 612 C PHE A 40 4.122 1.905 3.564 1.00 0.00 C ATOM 613 O PHE A 40 3.290 2.778 3.720 1.00 0.00 O ATOM 614 CB PHE A 40 4.423 0.857 1.299 1.00 0.00 C ATOM 615 CG PHE A 40 5.017 0.974 -0.096 1.00 0.00 C ATOM 616 CD1 PHE A 40 4.792 2.098 -0.876 1.00 0.00 C ATOM 617 CD2 PHE A 40 5.759 -0.061 -0.638 1.00 0.00 C ATOM 618 CE1 PHE A 40 5.301 2.178 -2.164 1.00 0.00 C ATOM 619 CE2 PHE A 40 6.273 0.016 -1.916 1.00 0.00 C ATOM 620 CZ PHE A 40 6.045 1.131 -2.682 1.00 0.00 C ATOM 0 H PHE A 40 6.713 0.762 2.230 1.00 0.00 H new ATOM 0 HA PHE A 40 4.882 2.853 1.838 1.00 0.00 H new ATOM 0 HB2 PHE A 40 4.615 -0.147 1.678 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.341 0.970 1.229 1.00 0.00 H new ATOM 0 HD1 PHE A 40 4.215 2.919 -0.477 1.00 0.00 H new ATOM 0 HD2 PHE A 40 5.939 -0.948 -0.048 1.00 0.00 H new ATOM 0 HE1 PHE A 40 5.117 3.057 -2.763 1.00 0.00 H new ATOM 0 HE2 PHE A 40 6.855 -0.802 -2.314 1.00 0.00 H new ATOM 0 HZ PHE A 40 6.444 1.192 -3.684 1.00 0.00 H new ATOM 630 N GLU A 41 4.409 1.007 4.487 1.00 0.00 N ATOM 631 CA GLU A 41 3.711 0.963 5.752 1.00 0.00 C ATOM 632 C GLU A 41 4.006 2.129 6.676 1.00 0.00 C ATOM 633 O GLU A 41 3.281 2.381 7.637 1.00 0.00 O ATOM 634 CB GLU A 41 3.822 -0.396 6.415 1.00 0.00 C ATOM 635 CG GLU A 41 2.855 -1.343 5.758 1.00 0.00 C ATOM 636 CD GLU A 41 1.504 -0.689 5.754 1.00 0.00 C ATOM 637 OE1 GLU A 41 0.916 -0.609 6.840 1.00 0.00 O ATOM 638 OE2 GLU A 41 1.032 -0.223 4.702 1.00 0.00 O ATOM 0 H GLU A 41 5.129 0.292 4.380 1.00 0.00 H new ATOM 0 HA GLU A 41 2.657 1.099 5.511 1.00 0.00 H new ATOM 0 HB2 GLU A 41 4.840 -0.776 6.326 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.604 -0.314 7.480 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.173 -1.569 4.740 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.820 -2.289 6.298 1.00 0.00 H new ATOM 645 N ARG A 42 5.059 2.840 6.393 1.00 0.00 N ATOM 646 CA ARG A 42 5.374 4.040 7.129 1.00 0.00 C ATOM 647 C ARG A 42 4.634 5.192 6.500 1.00 0.00 C ATOM 648 O ARG A 42 4.138 6.084 7.188 1.00 0.00 O ATOM 649 CB ARG A 42 6.873 4.274 7.089 1.00 0.00 C ATOM 650 CG ARG A 42 7.377 5.439 7.926 1.00 0.00 C ATOM 651 CD ARG A 42 6.850 5.367 9.344 1.00 0.00 C ATOM 652 NE ARG A 42 7.080 4.057 9.965 1.00 0.00 N ATOM 653 CZ ARG A 42 6.265 3.474 10.854 1.00 0.00 C ATOM 654 NH1 ARG A 42 5.156 4.100 11.269 1.00 0.00 N ATOM 655 NH2 ARG A 42 6.555 2.268 11.316 1.00 0.00 N ATOM 0 H ARG A 42 5.722 2.611 5.652 1.00 0.00 H new ATOM 0 HA ARG A 42 5.070 3.945 8.171 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.374 3.366 7.424 1.00 0.00 H new ATOM 0 HB3 ARG A 42 7.170 4.438 6.053 1.00 0.00 H new ATOM 0 HG2 ARG A 42 8.467 5.435 7.940 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.068 6.379 7.468 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.329 6.139 9.946 1.00 0.00 H new ATOM 0 HD3 ARG A 42 5.781 5.582 9.342 1.00 0.00 H new ATOM 0 HE ARG A 42 7.925 3.552 9.699 1.00 0.00 H new ATOM 0 HH11 ARG A 42 4.928 5.026 10.908 1.00 0.00 H new ATOM 0 HH12 ARG A 42 4.540 3.650 11.946 1.00 0.00 H new ATOM 0 HH21 ARG A 42 7.395 1.787 10.995 1.00 0.00 H new ATOM 0 HH22 ARG A 42 5.938 1.819 11.993 1.00 0.00 H new ATOM 669 N LEU A 43 4.568 5.147 5.199 1.00 0.00 N ATOM 670 CA LEU A 43 3.852 6.129 4.408 1.00 0.00 C ATOM 671 C LEU A 43 2.345 6.082 4.732 1.00 0.00 C ATOM 672 O LEU A 43 1.669 7.114 4.790 1.00 0.00 O ATOM 673 CB LEU A 43 4.069 5.848 2.913 1.00 0.00 C ATOM 674 CG LEU A 43 5.504 5.891 2.387 1.00 0.00 C ATOM 675 CD1 LEU A 43 5.524 5.489 0.924 1.00 0.00 C ATOM 676 CD2 LEU A 43 6.101 7.282 2.549 1.00 0.00 C ATOM 0 H LEU A 43 5.015 4.418 4.642 1.00 0.00 H new ATOM 0 HA LEU A 43 4.233 7.121 4.650 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.660 4.862 2.693 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.481 6.570 2.346 1.00 0.00 H new ATOM 0 HG LEU A 43 6.106 5.191 2.967 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.548 5.521 0.552 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.131 4.478 0.819 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.907 6.179 0.348 1.00 0.00 H new ATOM 0 HD21 LEU A 43 7.122 7.286 2.168 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.502 8.002 1.991 1.00 0.00 H new ATOM 0 HD23 LEU A 43 6.107 7.555 3.604 1.00 0.00 H new ATOM 688 N THR A 44 1.838 4.885 4.940 1.00 0.00 N ATOM 689 CA THR A 44 0.445 4.673 5.253 1.00 0.00 C ATOM 690 C THR A 44 0.158 4.834 6.732 1.00 0.00 C ATOM 691 O THR A 44 -0.893 5.387 7.112 1.00 0.00 O ATOM 692 CB THR A 44 0.041 3.254 4.849 1.00 0.00 C ATOM 693 OG1 THR A 44 0.922 2.325 5.476 1.00 0.00 O ATOM 694 CG2 THR A 44 0.107 3.092 3.359 1.00 0.00 C ATOM 0 H THR A 44 2.387 4.027 4.896 1.00 0.00 H new ATOM 0 HA THR A 44 -0.124 5.423 4.703 1.00 0.00 H new ATOM 0 HB THR A 44 -0.984 3.068 5.169 1.00 0.00 H new ATOM 0 HG1 THR A 44 0.927 1.486 4.970 1.00 0.00 H new ATOM 0 HG21 THR A 44 -0.184 2.076 3.090 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.572 3.801 2.885 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.125 3.281 3.017 1.00 0.00 H new ATOM 702 N GLU A 45 1.103 4.330 7.561 1.00 0.00 N ATOM 703 CA GLU A 45 0.951 4.213 9.015 1.00 0.00 C ATOM 704 C GLU A 45 -0.150 3.215 9.289 1.00 0.00 C ATOM 705 O GLU A 45 -0.751 3.192 10.372 1.00 0.00 O ATOM 706 CB GLU A 45 0.623 5.548 9.680 1.00 0.00 C ATOM 707 CG GLU A 45 1.698 6.586 9.578 1.00 0.00 C ATOM 708 CD GLU A 45 1.430 7.739 10.489 1.00 0.00 C ATOM 709 OE1 GLU A 45 0.455 8.484 10.258 1.00 0.00 O ATOM 710 OE2 GLU A 45 2.161 7.892 11.497 1.00 0.00 O ATOM 0 H GLU A 45 2.004 3.990 7.224 1.00 0.00 H new ATOM 0 HA GLU A 45 1.899 3.882 9.438 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.289 5.945 9.233 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.410 5.369 10.734 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.661 6.140 9.826 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.767 6.941 8.550 1.00 0.00 H new ATOM 717 N HIS A 46 -0.370 2.349 8.320 1.00 0.00 N ATOM 718 CA HIS A 46 -1.449 1.448 8.380 1.00 0.00 C ATOM 719 C HIS A 46 -1.110 0.263 9.327 1.00 0.00 C ATOM 720 O HIS A 46 -0.019 -0.243 9.336 1.00 0.00 O ATOM 721 CB HIS A 46 -1.905 1.018 6.945 1.00 0.00 C ATOM 722 CG HIS A 46 -3.230 0.329 6.942 1.00 0.00 C ATOM 723 ND1 HIS A 46 -3.414 -0.948 7.378 1.00 0.00 N ATOM 724 CD2 HIS A 46 -4.462 0.836 6.751 1.00 0.00 C ATOM 725 CE1 HIS A 46 -4.723 -1.161 7.493 1.00 0.00 C ATOM 726 NE2 HIS A 46 -5.405 -0.115 7.110 1.00 0.00 N ATOM 0 H HIS A 46 0.205 2.268 7.481 1.00 0.00 H new ATOM 0 HA HIS A 46 -2.316 1.944 8.817 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -1.957 1.899 6.306 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -1.155 0.355 6.513 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -4.681 1.825 6.378 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -5.163 -2.078 7.855 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -6.420 -0.018 7.081 1.00 0.00 H new ATOM 734 N PRO A 47 -2.037 -0.097 10.195 1.00 0.00 N ATOM 735 CA PRO A 47 -1.863 -1.166 11.194 1.00 0.00 C ATOM 736 C PRO A 47 -1.752 -2.546 10.614 1.00 0.00 C ATOM 737 O PRO A 47 -0.922 -3.357 11.018 1.00 0.00 O ATOM 738 CB PRO A 47 -3.155 -1.095 11.988 1.00 0.00 C ATOM 739 CG PRO A 47 -4.108 -0.308 11.186 1.00 0.00 C ATOM 740 CD PRO A 47 -3.313 0.566 10.329 1.00 0.00 C ATOM 0 HA PRO A 47 -0.939 -1.014 11.753 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -3.545 -2.094 12.180 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -2.987 -0.626 12.958 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -4.744 -0.962 10.589 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -4.766 0.276 11.830 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -3.789 0.705 9.358 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -3.199 1.555 10.773 1.00 0.00 H new ATOM 748 N ASP A 48 -2.562 -2.794 9.649 1.00 0.00 N ATOM 749 CA ASP A 48 -2.713 -4.105 9.115 1.00 0.00 C ATOM 750 C ASP A 48 -2.084 -4.121 7.778 1.00 0.00 C ATOM 751 O ASP A 48 -2.271 -5.039 7.024 1.00 0.00 O ATOM 752 CB ASP A 48 -4.195 -4.483 8.939 1.00 0.00 C ATOM 753 CG ASP A 48 -5.031 -4.314 10.175 1.00 0.00 C ATOM 754 OD1 ASP A 48 -5.025 -5.200 11.034 1.00 0.00 O ATOM 755 OD2 ASP A 48 -5.727 -3.284 10.294 1.00 0.00 O ATOM 0 H ASP A 48 -3.146 -2.088 9.201 1.00 0.00 H new ATOM 0 HA ASP A 48 -2.253 -4.815 9.803 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -4.620 -3.873 8.142 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -4.256 -5.521 8.613 1.00 0.00 H new ATOM 760 N GLY A 49 -1.322 -3.082 7.506 1.00 0.00 N ATOM 761 CA GLY A 49 -0.735 -2.884 6.174 1.00 0.00 C ATOM 762 C GLY A 49 0.109 -3.999 5.728 1.00 0.00 C ATOM 763 O GLY A 49 -0.076 -4.526 4.626 1.00 0.00 O ATOM 0 H GLY A 49 -1.088 -2.355 8.182 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.538 -2.736 5.452 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.140 -1.970 6.181 1.00 0.00 H new ATOM 767 N SER A 50 1.009 -4.391 6.556 1.00 0.00 N ATOM 768 CA SER A 50 1.824 -5.525 6.217 1.00 0.00 C ATOM 769 C SER A 50 0.989 -6.815 6.117 1.00 0.00 C ATOM 770 O SER A 50 1.209 -7.631 5.240 1.00 0.00 O ATOM 771 CB SER A 50 3.084 -5.640 7.101 1.00 0.00 C ATOM 772 OG SER A 50 2.842 -5.266 8.460 1.00 0.00 O ATOM 0 H SER A 50 1.206 -3.960 7.459 1.00 0.00 H new ATOM 0 HA SER A 50 2.219 -5.359 5.215 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.451 -6.666 7.071 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.870 -5.008 6.689 1.00 0.00 H new ATOM 0 HG SER A 50 3.669 -5.358 8.977 1.00 0.00 H new ATOM 778 N ASP A 51 -0.041 -6.927 6.941 1.00 0.00 N ATOM 779 CA ASP A 51 -0.922 -8.101 6.909 1.00 0.00 C ATOM 780 C ASP A 51 -1.752 -8.140 5.639 1.00 0.00 C ATOM 781 O ASP A 51 -2.008 -9.198 5.126 1.00 0.00 O ATOM 782 CB ASP A 51 -1.846 -8.194 8.132 1.00 0.00 C ATOM 783 CG ASP A 51 -1.107 -8.405 9.421 1.00 0.00 C ATOM 784 OD1 ASP A 51 -0.288 -9.344 9.509 1.00 0.00 O ATOM 785 OD2 ASP A 51 -1.313 -7.609 10.382 1.00 0.00 O ATOM 0 H ASP A 51 -0.293 -6.227 7.639 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.258 -8.965 6.932 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.434 -7.279 8.204 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -2.549 -9.014 7.986 1.00 0.00 H new ATOM 790 N LEU A 52 -2.118 -6.960 5.121 1.00 0.00 N ATOM 791 CA LEU A 52 -2.929 -6.815 3.891 1.00 0.00 C ATOM 792 C LEU A 52 -2.284 -7.518 2.719 1.00 0.00 C ATOM 793 O LEU A 52 -2.955 -8.114 1.884 1.00 0.00 O ATOM 794 CB LEU A 52 -3.084 -5.323 3.495 1.00 0.00 C ATOM 795 CG LEU A 52 -3.806 -4.391 4.470 1.00 0.00 C ATOM 796 CD1 LEU A 52 -3.758 -2.962 3.958 1.00 0.00 C ATOM 797 CD2 LEU A 52 -5.241 -4.823 4.641 1.00 0.00 C ATOM 0 H LEU A 52 -1.860 -6.068 5.543 1.00 0.00 H new ATOM 0 HA LEU A 52 -3.900 -7.257 4.113 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -2.087 -4.918 3.323 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.613 -5.284 2.543 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.304 -4.442 5.436 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.275 -2.307 4.659 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.720 -2.644 3.862 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -4.245 -2.908 2.984 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.743 -4.151 5.337 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.748 -4.791 3.677 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.271 -5.840 5.033 1.00 0.00 H new ATOM 809 N ILE A 53 -0.982 -7.462 2.691 1.00 0.00 N ATOM 810 CA ILE A 53 -0.214 -7.956 1.573 1.00 0.00 C ATOM 811 C ILE A 53 0.009 -9.446 1.708 1.00 0.00 C ATOM 812 O ILE A 53 -0.019 -10.204 0.726 1.00 0.00 O ATOM 813 CB ILE A 53 1.147 -7.236 1.543 1.00 0.00 C ATOM 814 CG1 ILE A 53 0.925 -5.722 1.505 1.00 0.00 C ATOM 815 CG2 ILE A 53 1.985 -7.693 0.350 1.00 0.00 C ATOM 816 CD1 ILE A 53 2.182 -4.918 1.649 1.00 0.00 C ATOM 0 H ILE A 53 -0.417 -7.071 3.445 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.760 -7.764 0.649 1.00 0.00 H new ATOM 0 HB ILE A 53 1.699 -7.492 2.447 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.444 -5.459 0.563 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.236 -5.446 2.303 1.00 0.00 H new ATOM 0 HG21 ILE A 53 2.940 -7.168 0.354 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.160 -8.767 0.418 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.453 -7.471 -0.575 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.941 -3.856 1.612 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.655 -5.150 2.603 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.866 -5.163 0.836 1.00 0.00 H new ATOM 828 N TYR A 54 0.202 -9.857 2.917 1.00 0.00 N ATOM 829 CA TYR A 54 0.517 -11.217 3.207 1.00 0.00 C ATOM 830 C TYR A 54 -0.723 -12.094 3.339 1.00 0.00 C ATOM 831 O TYR A 54 -0.676 -13.285 3.030 1.00 0.00 O ATOM 832 CB TYR A 54 1.400 -11.296 4.447 1.00 0.00 C ATOM 833 CG TYR A 54 2.836 -10.827 4.223 1.00 0.00 C ATOM 834 CD1 TYR A 54 3.158 -9.484 4.254 1.00 0.00 C ATOM 835 CD2 TYR A 54 3.857 -11.732 3.971 1.00 0.00 C ATOM 836 CE1 TYR A 54 4.438 -9.038 4.049 1.00 0.00 C ATOM 837 CE2 TYR A 54 5.157 -11.296 3.762 1.00 0.00 C ATOM 838 CZ TYR A 54 5.436 -9.944 3.801 1.00 0.00 C ATOM 839 OH TYR A 54 6.724 -9.497 3.595 1.00 0.00 O ATOM 0 H TYR A 54 0.145 -9.254 3.738 1.00 0.00 H new ATOM 0 HA TYR A 54 1.072 -11.615 2.358 1.00 0.00 H new ATOM 0 HB2 TYR A 54 0.952 -10.694 5.237 1.00 0.00 H new ATOM 0 HB3 TYR A 54 1.417 -12.326 4.802 1.00 0.00 H new ATOM 0 HD1 TYR A 54 2.377 -8.763 4.446 1.00 0.00 H new ATOM 0 HD2 TYR A 54 3.637 -12.789 3.937 1.00 0.00 H new ATOM 0 HE1 TYR A 54 4.658 -7.981 4.083 1.00 0.00 H new ATOM 0 HE2 TYR A 54 5.945 -12.009 3.570 1.00 0.00 H new ATOM 0 HH TYR A 54 7.314 -10.263 3.433 1.00 0.00 H new ATOM 849 N TYR A 55 -1.823 -11.529 3.772 1.00 0.00 N ATOM 850 CA TYR A 55 -3.032 -12.283 3.963 1.00 0.00 C ATOM 851 C TYR A 55 -4.227 -11.476 3.494 1.00 0.00 C ATOM 852 O TYR A 55 -4.308 -10.276 3.755 1.00 0.00 O ATOM 853 CB TYR A 55 -3.268 -12.602 5.458 1.00 0.00 C ATOM 854 CG TYR A 55 -2.129 -13.277 6.181 1.00 0.00 C ATOM 855 CD1 TYR A 55 -1.832 -14.616 5.968 1.00 0.00 C ATOM 856 CD2 TYR A 55 -1.350 -12.566 7.084 1.00 0.00 C ATOM 857 CE1 TYR A 55 -0.791 -15.224 6.634 1.00 0.00 C ATOM 858 CE2 TYR A 55 -0.311 -13.165 7.750 1.00 0.00 C ATOM 859 CZ TYR A 55 -0.034 -14.493 7.524 1.00 0.00 C ATOM 860 OH TYR A 55 1.016 -15.090 8.185 1.00 0.00 O ATOM 0 H TYR A 55 -1.903 -10.538 4.000 1.00 0.00 H new ATOM 0 HA TYR A 55 -2.924 -13.206 3.394 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -3.499 -11.671 5.975 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -4.150 -13.238 5.538 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -2.425 -15.189 5.271 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -1.566 -11.523 7.265 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -0.569 -16.267 6.460 1.00 0.00 H new ATOM 0 HE2 TYR A 55 0.286 -12.597 8.448 1.00 0.00 H new ATOM 0 HH TYR A 55 1.446 -14.436 8.774 1.00 0.00 H new ATOM 870 N PRO A 56 -5.156 -12.099 2.770 1.00 0.00 N ATOM 871 CA PRO A 56 -6.442 -11.483 2.491 1.00 0.00 C ATOM 872 C PRO A 56 -7.192 -11.364 3.822 1.00 0.00 C ATOM 873 O PRO A 56 -6.915 -12.128 4.757 1.00 0.00 O ATOM 874 CB PRO A 56 -7.137 -12.485 1.567 1.00 0.00 C ATOM 875 CG PRO A 56 -6.428 -13.778 1.788 1.00 0.00 C ATOM 876 CD PRO A 56 -5.020 -13.423 2.155 1.00 0.00 C ATOM 0 HA PRO A 56 -6.384 -10.493 2.039 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -8.197 -12.571 1.806 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -7.070 -12.172 0.525 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -6.904 -14.353 2.582 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -6.453 -14.394 0.889 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -4.590 -14.146 2.848 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -4.371 -13.395 1.280 1.00 0.00 H new ATOM 884 N ARG A 57 -8.109 -10.450 3.949 1.00 0.00 N ATOM 885 CA ARG A 57 -8.717 -10.287 5.245 1.00 0.00 C ATOM 886 C ARG A 57 -10.091 -10.943 5.336 1.00 0.00 C ATOM 887 O ARG A 57 -10.211 -12.174 5.237 1.00 0.00 O ATOM 888 CB ARG A 57 -8.771 -8.815 5.678 1.00 0.00 C ATOM 889 CG ARG A 57 -7.435 -8.099 5.723 1.00 0.00 C ATOM 890 CD ARG A 57 -7.571 -6.745 6.408 1.00 0.00 C ATOM 891 NE ARG A 57 -7.834 -6.877 7.846 1.00 0.00 N ATOM 892 CZ ARG A 57 -7.948 -5.852 8.705 1.00 0.00 C ATOM 893 NH1 ARG A 57 -8.071 -4.601 8.260 1.00 0.00 N ATOM 894 NH2 ARG A 57 -8.010 -6.089 10.003 1.00 0.00 N ATOM 0 H ARG A 57 -8.444 -9.830 3.212 1.00 0.00 H new ATOM 0 HA ARG A 57 -8.069 -10.811 5.948 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -9.429 -8.277 4.995 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -9.226 -8.762 6.667 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -6.707 -8.710 6.257 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.056 -7.963 4.710 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -6.657 -6.170 6.258 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -8.381 -6.183 5.942 1.00 0.00 H new ATOM 0 HE ARG A 57 -7.938 -7.820 8.221 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -8.079 -4.415 7.257 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -8.157 -3.830 8.922 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -7.971 -7.048 10.349 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -8.097 -5.313 10.660 1.00 0.00 H new ATOM 908 N ASP A 58 -11.107 -10.133 5.525 1.00 0.00 N ATOM 909 CA ASP A 58 -12.474 -10.609 5.657 1.00 0.00 C ATOM 910 C ASP A 58 -13.387 -10.019 4.608 1.00 0.00 C ATOM 911 O ASP A 58 -13.876 -10.713 3.719 1.00 0.00 O ATOM 912 CB ASP A 58 -13.022 -10.335 7.066 1.00 0.00 C ATOM 913 CG ASP A 58 -12.673 -11.406 8.073 1.00 0.00 C ATOM 914 OD1 ASP A 58 -11.546 -11.414 8.619 1.00 0.00 O ATOM 915 OD2 ASP A 58 -13.528 -12.278 8.347 1.00 0.00 O ATOM 0 H ASP A 58 -11.013 -9.120 5.593 1.00 0.00 H new ATOM 0 HA ASP A 58 -12.449 -11.687 5.498 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -12.635 -9.379 7.417 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -14.106 -10.239 7.012 1.00 0.00 H new ATOM 920 N ASP A 59 -13.580 -8.721 4.700 1.00 0.00 N ATOM 921 CA ASP A 59 -14.502 -7.986 3.836 1.00 0.00 C ATOM 922 C ASP A 59 -13.805 -7.537 2.552 1.00 0.00 C ATOM 923 O ASP A 59 -14.440 -7.032 1.624 1.00 0.00 O ATOM 924 CB ASP A 59 -15.078 -6.773 4.613 1.00 0.00 C ATOM 925 CG ASP A 59 -16.131 -5.972 3.855 1.00 0.00 C ATOM 926 OD1 ASP A 59 -17.184 -6.534 3.502 1.00 0.00 O ATOM 927 OD2 ASP A 59 -15.933 -4.760 3.627 1.00 0.00 O ATOM 0 H ASP A 59 -13.100 -8.133 5.381 1.00 0.00 H new ATOM 0 HA ASP A 59 -15.322 -8.643 3.547 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -15.515 -7.130 5.545 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -14.257 -6.107 4.880 1.00 0.00 H new ATOM 932 N ARG A 60 -12.503 -7.742 2.490 1.00 0.00 N ATOM 933 CA ARG A 60 -11.729 -7.341 1.328 1.00 0.00 C ATOM 934 C ARG A 60 -11.908 -8.207 0.129 1.00 0.00 C ATOM 935 O ARG A 60 -12.199 -9.409 0.217 1.00 0.00 O ATOM 936 CB ARG A 60 -10.217 -7.279 1.578 1.00 0.00 C ATOM 937 CG ARG A 60 -9.686 -6.015 2.196 1.00 0.00 C ATOM 938 CD ARG A 60 -10.236 -4.792 1.487 1.00 0.00 C ATOM 939 NE ARG A 60 -11.459 -4.321 2.148 1.00 0.00 N ATOM 940 CZ ARG A 60 -12.522 -3.778 1.550 1.00 0.00 C ATOM 941 NH1 ARG A 60 -12.583 -3.684 0.234 1.00 0.00 N ATOM 942 NH2 ARG A 60 -13.530 -3.332 2.281 1.00 0.00 N ATOM 0 H ARG A 60 -11.958 -8.184 3.230 1.00 0.00 H new ATOM 0 HA ARG A 60 -12.134 -6.347 1.136 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -9.944 -8.114 2.223 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -9.708 -7.432 0.626 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -9.956 -5.980 3.251 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -8.597 -6.010 2.145 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -9.488 -3.999 1.485 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -10.448 -5.033 0.445 1.00 0.00 H new ATOM 0 HE ARG A 60 -11.501 -4.418 3.163 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -11.812 -4.029 -0.338 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -13.401 -3.267 -0.210 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -13.493 -3.404 3.298 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -14.344 -2.916 1.828 1.00 0.00 H new ATOM 956 N GLU A 61 -11.698 -7.576 -0.981 1.00 0.00 N ATOM 957 CA GLU A 61 -11.518 -8.225 -2.219 1.00 0.00 C ATOM 958 C GLU A 61 -10.055 -8.536 -2.246 1.00 0.00 C ATOM 959 O GLU A 61 -9.230 -7.645 -1.972 1.00 0.00 O ATOM 960 CB GLU A 61 -11.847 -7.276 -3.374 1.00 0.00 C ATOM 961 CG GLU A 61 -11.555 -7.844 -4.738 1.00 0.00 C ATOM 962 CD GLU A 61 -12.337 -9.084 -5.031 1.00 0.00 C ATOM 963 OE1 GLU A 61 -11.899 -10.179 -4.649 1.00 0.00 O ATOM 964 OE2 GLU A 61 -13.417 -8.983 -5.645 1.00 0.00 O ATOM 0 H GLU A 61 -11.647 -6.559 -1.042 1.00 0.00 H new ATOM 0 HA GLU A 61 -12.157 -9.102 -2.325 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -12.903 -7.009 -3.322 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -11.279 -6.355 -3.246 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -11.779 -7.092 -5.495 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -10.490 -8.065 -4.814 1.00 0.00 H new ATOM 971 N ASP A 62 -9.710 -9.741 -2.519 1.00 0.00 N ATOM 972 CA ASP A 62 -8.321 -10.085 -2.524 1.00 0.00 C ATOM 973 C ASP A 62 -7.731 -9.800 -3.866 1.00 0.00 C ATOM 974 O ASP A 62 -7.765 -10.633 -4.772 1.00 0.00 O ATOM 975 CB ASP A 62 -8.060 -11.521 -2.089 1.00 0.00 C ATOM 976 CG ASP A 62 -6.582 -11.883 -2.156 1.00 0.00 C ATOM 977 OD1 ASP A 62 -5.764 -11.308 -1.396 1.00 0.00 O ATOM 978 OD2 ASP A 62 -6.203 -12.729 -2.998 1.00 0.00 O ATOM 0 H ASP A 62 -10.353 -10.501 -2.740 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.827 -9.460 -1.780 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.421 -11.661 -1.070 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -8.628 -12.200 -2.725 1.00 0.00 H new ATOM 983 N SER A 63 -7.338 -8.581 -4.038 1.00 0.00 N ATOM 984 CA SER A 63 -6.691 -8.157 -5.212 1.00 0.00 C ATOM 985 C SER A 63 -5.733 -7.055 -4.802 1.00 0.00 C ATOM 986 O SER A 63 -5.918 -6.471 -3.717 1.00 0.00 O ATOM 987 CB SER A 63 -7.748 -7.633 -6.205 1.00 0.00 C ATOM 988 OG SER A 63 -8.422 -6.501 -5.681 1.00 0.00 O ATOM 0 H SER A 63 -7.466 -7.844 -3.344 1.00 0.00 H new ATOM 0 HA SER A 63 -6.147 -8.966 -5.700 1.00 0.00 H new ATOM 0 HB2 SER A 63 -7.268 -7.370 -7.148 1.00 0.00 H new ATOM 0 HB3 SER A 63 -8.469 -8.421 -6.423 1.00 0.00 H new ATOM 0 HG SER A 63 -8.582 -6.630 -4.723 1.00 0.00 H new ATOM 994 N PRO A 64 -4.691 -6.765 -5.605 1.00 0.00 N ATOM 995 CA PRO A 64 -3.792 -5.631 -5.355 1.00 0.00 C ATOM 996 C PRO A 64 -4.620 -4.329 -5.168 1.00 0.00 C ATOM 997 O PRO A 64 -4.326 -3.498 -4.306 1.00 0.00 O ATOM 998 CB PRO A 64 -2.925 -5.593 -6.646 1.00 0.00 C ATOM 999 CG PRO A 64 -2.918 -7.000 -7.115 1.00 0.00 C ATOM 1000 CD PRO A 64 -4.270 -7.558 -6.779 1.00 0.00 C ATOM 0 HA PRO A 64 -3.189 -5.723 -4.452 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -3.352 -4.925 -7.394 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -1.916 -5.236 -6.439 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -2.731 -7.052 -8.187 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -2.129 -7.570 -6.625 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.967 -7.446 -7.609 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.218 -8.622 -6.547 1.00 0.00 H new ATOM 1008 N GLU A 65 -5.689 -4.217 -5.938 1.00 0.00 N ATOM 1009 CA GLU A 65 -6.605 -3.093 -5.881 1.00 0.00 C ATOM 1010 C GLU A 65 -7.400 -3.086 -4.562 1.00 0.00 C ATOM 1011 O GLU A 65 -7.540 -2.041 -3.909 1.00 0.00 O ATOM 1012 CB GLU A 65 -7.543 -3.173 -7.081 1.00 0.00 C ATOM 1013 CG GLU A 65 -8.500 -2.011 -7.235 1.00 0.00 C ATOM 1014 CD GLU A 65 -9.309 -2.108 -8.500 1.00 0.00 C ATOM 1015 OE1 GLU A 65 -8.809 -1.708 -9.581 1.00 0.00 O ATOM 1016 OE2 GLU A 65 -10.468 -2.588 -8.454 1.00 0.00 O ATOM 0 H GLU A 65 -5.948 -4.918 -6.632 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.039 -2.162 -5.915 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -6.941 -3.249 -7.987 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -8.124 -4.092 -7.006 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -9.172 -1.979 -6.377 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -7.938 -1.077 -7.235 1.00 0.00 H new ATOM 1023 N GLY A 66 -7.900 -4.246 -4.180 1.00 0.00 N ATOM 1024 CA GLY A 66 -8.679 -4.379 -2.952 1.00 0.00 C ATOM 1025 C GLY A 66 -7.864 -4.144 -1.712 1.00 0.00 C ATOM 1026 O GLY A 66 -8.391 -3.726 -0.686 1.00 0.00 O ATOM 0 H GLY A 66 -7.783 -5.115 -4.701 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -9.507 -3.671 -2.975 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -9.114 -5.378 -2.910 1.00 0.00 H new ATOM 1030 N ILE A 67 -6.588 -4.412 -1.794 1.00 0.00 N ATOM 1031 CA ILE A 67 -5.679 -4.101 -0.711 1.00 0.00 C ATOM 1032 C ILE A 67 -5.611 -2.600 -0.531 1.00 0.00 C ATOM 1033 O ILE A 67 -5.830 -2.100 0.574 1.00 0.00 O ATOM 1034 CB ILE A 67 -4.281 -4.732 -0.950 1.00 0.00 C ATOM 1035 CG1 ILE A 67 -4.389 -6.260 -0.816 1.00 0.00 C ATOM 1036 CG2 ILE A 67 -3.224 -4.150 -0.007 1.00 0.00 C ATOM 1037 CD1 ILE A 67 -3.130 -7.019 -1.161 1.00 0.00 C ATOM 0 H ILE A 67 -6.147 -4.848 -2.604 1.00 0.00 H new ATOM 0 HA ILE A 67 -6.054 -4.539 0.214 1.00 0.00 H new ATOM 0 HB ILE A 67 -3.950 -4.488 -1.960 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.672 -6.501 0.209 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.195 -6.611 -1.460 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -2.260 -4.618 -0.207 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -3.145 -3.075 -0.168 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -3.513 -4.342 1.026 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -3.304 -8.088 -1.036 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.854 -6.814 -2.195 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.322 -6.703 -0.501 1.00 0.00 H new ATOM 1049 N VAL A 68 -5.421 -1.889 -1.643 1.00 0.00 N ATOM 1050 CA VAL A 68 -5.369 -0.424 -1.661 1.00 0.00 C ATOM 1051 C VAL A 68 -6.637 0.172 -1.078 1.00 0.00 C ATOM 1052 O VAL A 68 -6.603 1.228 -0.439 1.00 0.00 O ATOM 1053 CB VAL A 68 -5.127 0.114 -3.094 1.00 0.00 C ATOM 1054 CG1 VAL A 68 -5.213 1.638 -3.169 1.00 0.00 C ATOM 1055 CG2 VAL A 68 -3.779 -0.322 -3.554 1.00 0.00 C ATOM 0 H VAL A 68 -5.298 -2.314 -2.562 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.527 -0.119 -1.039 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.910 -0.290 -3.735 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.036 1.962 -4.194 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.204 1.963 -2.852 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.461 2.078 -2.514 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.600 0.052 -4.562 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -3.019 0.073 -2.880 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.730 -1.411 -3.557 1.00 0.00 H new ATOM 1065 N LYS A 69 -7.735 -0.540 -1.259 1.00 0.00 N ATOM 1066 CA LYS A 69 -9.007 -0.144 -0.732 1.00 0.00 C ATOM 1067 C LYS A 69 -8.957 0.074 0.759 1.00 0.00 C ATOM 1068 O LYS A 69 -9.447 1.072 1.235 1.00 0.00 O ATOM 1069 CB LYS A 69 -10.052 -1.156 -1.017 1.00 0.00 C ATOM 1070 CG LYS A 69 -11.419 -0.647 -0.674 1.00 0.00 C ATOM 1071 CD LYS A 69 -12.140 -0.075 -1.876 1.00 0.00 C ATOM 1072 CE LYS A 69 -11.569 1.267 -2.355 1.00 0.00 C ATOM 1073 NZ LYS A 69 -12.319 1.773 -3.518 1.00 0.00 N ATOM 0 H LYS A 69 -7.758 -1.415 -1.782 1.00 0.00 H new ATOM 0 HA LYS A 69 -9.256 0.795 -1.226 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -10.018 -1.428 -2.072 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.847 -2.062 -0.447 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -12.011 -1.459 -0.251 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -11.336 0.121 0.095 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -12.091 -0.794 -2.694 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -13.194 0.056 -1.629 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -11.612 1.995 -1.545 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -10.518 1.146 -2.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -11.914 2.681 -3.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -12.257 1.087 -4.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -13.316 1.909 -3.256 1.00 0.00 H new ATOM 1087 N GLU A 70 -8.361 -0.837 1.497 1.00 0.00 N ATOM 1088 CA GLU A 70 -8.295 -0.634 2.926 1.00 0.00 C ATOM 1089 C GLU A 70 -7.363 0.463 3.340 1.00 0.00 C ATOM 1090 O GLU A 70 -7.666 1.184 4.278 1.00 0.00 O ATOM 1091 CB GLU A 70 -8.190 -1.894 3.767 1.00 0.00 C ATOM 1092 CG GLU A 70 -9.562 -2.475 4.051 1.00 0.00 C ATOM 1093 CD GLU A 70 -9.559 -3.672 4.957 1.00 0.00 C ATOM 1094 OE1 GLU A 70 -8.748 -3.726 5.888 1.00 0.00 O ATOM 1095 OE2 GLU A 70 -10.440 -4.550 4.789 1.00 0.00 O ATOM 0 H GLU A 70 -7.931 -1.694 1.149 1.00 0.00 H new ATOM 0 HA GLU A 70 -9.292 -0.267 3.171 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -7.579 -2.632 3.247 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -7.686 -1.667 4.706 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -10.185 -1.700 4.497 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -10.027 -2.753 3.105 1.00 0.00 H new ATOM 1102 N ILE A 71 -6.253 0.645 2.629 1.00 0.00 N ATOM 1103 CA ILE A 71 -5.419 1.803 2.906 1.00 0.00 C ATOM 1104 C ILE A 71 -6.228 3.089 2.626 1.00 0.00 C ATOM 1105 O ILE A 71 -6.112 4.091 3.338 1.00 0.00 O ATOM 1106 CB ILE A 71 -4.094 1.833 2.083 1.00 0.00 C ATOM 1107 CG1 ILE A 71 -3.200 0.644 2.366 1.00 0.00 C ATOM 1108 CG2 ILE A 71 -3.311 3.084 2.361 1.00 0.00 C ATOM 1109 CD1 ILE A 71 -3.461 -0.574 1.554 1.00 0.00 C ATOM 0 H ILE A 71 -5.922 0.030 1.885 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.130 1.739 3.955 1.00 0.00 H new ATOM 0 HB ILE A 71 -4.399 1.800 1.037 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -2.165 0.947 2.208 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -3.299 0.383 3.420 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.393 3.077 1.773 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -3.908 3.955 2.090 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -3.063 3.130 3.421 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.763 -1.360 1.842 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -4.482 -0.915 1.727 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -3.330 -0.342 0.497 1.00 0.00 H new ATOM 1121 N LYS A 72 -7.039 3.029 1.595 1.00 0.00 N ATOM 1122 CA LYS A 72 -7.930 4.123 1.221 1.00 0.00 C ATOM 1123 C LYS A 72 -8.985 4.386 2.292 1.00 0.00 C ATOM 1124 O LYS A 72 -8.987 5.449 2.899 1.00 0.00 O ATOM 1125 CB LYS A 72 -8.643 3.783 -0.099 1.00 0.00 C ATOM 1126 CG LYS A 72 -9.730 4.773 -0.509 1.00 0.00 C ATOM 1127 CD LYS A 72 -9.246 5.893 -1.411 1.00 0.00 C ATOM 1128 CE LYS A 72 -8.966 5.352 -2.808 1.00 0.00 C ATOM 1129 NZ LYS A 72 -8.723 6.417 -3.792 1.00 0.00 N ATOM 0 H LYS A 72 -7.106 2.216 0.982 1.00 0.00 H new ATOM 0 HA LYS A 72 -7.319 5.019 1.109 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.900 3.730 -0.895 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -9.088 2.792 -0.011 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -10.526 4.230 -1.019 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -10.166 5.209 0.390 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -9.997 6.681 -1.461 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -8.342 6.340 -0.997 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -8.099 4.693 -2.771 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -9.812 4.747 -3.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -8.690 6.006 -4.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -9.491 7.117 -3.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -7.816 6.882 -3.584 1.00 0.00 H new ATOM 1143 N GLU A 73 -9.807 3.384 2.575 1.00 0.00 N ATOM 1144 CA GLU A 73 -10.944 3.532 3.480 1.00 0.00 C ATOM 1145 C GLU A 73 -10.510 3.906 4.881 1.00 0.00 C ATOM 1146 O GLU A 73 -11.103 4.771 5.516 1.00 0.00 O ATOM 1147 CB GLU A 73 -11.758 2.237 3.520 1.00 0.00 C ATOM 1148 CG GLU A 73 -12.367 1.833 2.185 1.00 0.00 C ATOM 1149 CD GLU A 73 -13.408 2.802 1.690 1.00 0.00 C ATOM 1150 OE1 GLU A 73 -14.589 2.662 2.081 1.00 0.00 O ATOM 1151 OE2 GLU A 73 -13.087 3.694 0.889 1.00 0.00 O ATOM 0 H GLU A 73 -9.706 2.447 2.186 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.562 4.344 3.095 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -11.115 1.430 3.871 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -12.559 2.348 4.251 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -11.574 1.750 1.442 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -12.817 0.845 2.282 1.00 0.00 H new ATOM 1158 N TRP A 74 -9.446 3.299 5.331 1.00 0.00 N ATOM 1159 CA TRP A 74 -8.988 3.486 6.675 1.00 0.00 C ATOM 1160 C TRP A 74 -8.365 4.874 6.871 1.00 0.00 C ATOM 1161 O TRP A 74 -8.623 5.543 7.885 1.00 0.00 O ATOM 1162 CB TRP A 74 -8.008 2.385 7.009 1.00 0.00 C ATOM 1163 CG TRP A 74 -7.582 2.308 8.422 1.00 0.00 C ATOM 1164 CD1 TRP A 74 -8.220 1.653 9.424 1.00 0.00 C ATOM 1165 CD2 TRP A 74 -6.401 2.864 8.985 1.00 0.00 C ATOM 1166 NE1 TRP A 74 -7.503 1.759 10.578 1.00 0.00 N ATOM 1167 CE2 TRP A 74 -6.383 2.500 10.338 1.00 0.00 C ATOM 1168 CE3 TRP A 74 -5.358 3.637 8.472 1.00 0.00 C ATOM 1169 CZ2 TRP A 74 -5.361 2.871 11.187 1.00 0.00 C ATOM 1170 CZ3 TRP A 74 -4.338 4.008 9.306 1.00 0.00 C ATOM 1171 CH2 TRP A 74 -4.343 3.621 10.656 1.00 0.00 C ATOM 0 H TRP A 74 -8.875 2.662 4.775 1.00 0.00 H new ATOM 0 HA TRP A 74 -9.837 3.433 7.356 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -8.455 1.430 6.732 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -7.121 2.514 6.389 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -9.157 1.126 9.322 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -7.762 1.350 11.476 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -5.356 3.937 7.435 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -5.362 2.583 12.228 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -3.523 4.603 8.923 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -3.524 3.922 11.292 1.00 0.00 H new ATOM 1182 N ARG A 75 -7.581 5.342 5.908 1.00 0.00 N ATOM 1183 CA ARG A 75 -6.943 6.640 6.061 1.00 0.00 C ATOM 1184 C ARG A 75 -7.912 7.752 5.780 1.00 0.00 C ATOM 1185 O ARG A 75 -7.839 8.817 6.402 1.00 0.00 O ATOM 1186 CB ARG A 75 -5.721 6.763 5.203 1.00 0.00 C ATOM 1187 CG ARG A 75 -4.656 5.749 5.546 1.00 0.00 C ATOM 1188 CD ARG A 75 -3.436 5.984 4.725 1.00 0.00 C ATOM 1189 NE ARG A 75 -3.783 6.142 3.310 1.00 0.00 N ATOM 1190 CZ ARG A 75 -3.174 6.978 2.476 1.00 0.00 C ATOM 1191 NH1 ARG A 75 -2.210 7.754 2.911 1.00 0.00 N ATOM 1192 NH2 ARG A 75 -3.558 7.074 1.225 1.00 0.00 N ATOM 0 H ARG A 75 -7.376 4.856 5.035 1.00 0.00 H new ATOM 0 HA ARG A 75 -6.621 6.724 7.099 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -6.004 6.645 4.157 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.308 7.766 5.310 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.408 5.816 6.605 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -5.033 4.742 5.370 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.920 6.876 5.079 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.746 5.149 4.844 1.00 0.00 H new ATOM 0 HE ARG A 75 -4.544 5.572 2.940 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -1.927 7.716 3.890 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -1.743 8.395 2.270 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -4.332 6.503 0.884 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -3.083 7.719 0.594 1.00 0.00 H new ATOM 1206 N ALA A 76 -8.853 7.488 4.881 1.00 0.00 N ATOM 1207 CA ALA A 76 -9.901 8.439 4.546 1.00 0.00 C ATOM 1208 C ALA A 76 -10.851 8.600 5.731 1.00 0.00 C ATOM 1209 O ALA A 76 -11.546 9.607 5.857 1.00 0.00 O ATOM 1210 CB ALA A 76 -10.670 7.981 3.299 1.00 0.00 C ATOM 0 H ALA A 76 -8.909 6.610 4.366 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.443 9.403 4.325 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -11.449 8.706 3.065 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -9.983 7.903 2.456 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -11.124 7.008 3.488 1.00 0.00 H new ATOM 1216 N ALA A 77 -10.880 7.595 6.589 1.00 0.00 N ATOM 1217 CA ALA A 77 -11.694 7.617 7.779 1.00 0.00 C ATOM 1218 C ALA A 77 -10.951 8.351 8.861 1.00 0.00 C ATOM 1219 O ALA A 77 -11.479 9.235 9.516 1.00 0.00 O ATOM 1220 CB ALA A 77 -12.017 6.200 8.224 1.00 0.00 C ATOM 0 H ALA A 77 -10.335 6.740 6.474 1.00 0.00 H new ATOM 0 HA ALA A 77 -12.634 8.128 7.571 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -12.632 6.232 9.123 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -12.560 5.685 7.432 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -11.091 5.665 8.437 1.00 0.00 H new ATOM 1226 N ASN A 78 -9.695 7.984 9.004 1.00 0.00 N ATOM 1227 CA ASN A 78 -8.809 8.533 10.018 1.00 0.00 C ATOM 1228 C ASN A 78 -8.507 10.009 9.832 1.00 0.00 C ATOM 1229 O ASN A 78 -8.276 10.725 10.808 1.00 0.00 O ATOM 1230 CB ASN A 78 -7.503 7.733 10.092 1.00 0.00 C ATOM 1231 CG ASN A 78 -7.527 6.650 11.144 1.00 0.00 C ATOM 1232 OD1 ASN A 78 -7.133 6.873 12.279 1.00 0.00 O ATOM 1233 ND2 ASN A 78 -7.980 5.476 10.781 1.00 0.00 N ATOM 0 H ASN A 78 -9.250 7.284 8.410 1.00 0.00 H new ATOM 0 HA ASN A 78 -9.348 8.444 10.961 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -7.306 7.282 9.120 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -6.678 8.415 10.300 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -8.012 4.711 11.455 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -8.301 5.327 9.824 1.00 0.00 H new ATOM 1240 N GLY A 79 -8.508 10.464 8.604 1.00 0.00 N ATOM 1241 CA GLY A 79 -8.170 11.846 8.339 1.00 0.00 C ATOM 1242 C GLY A 79 -6.682 11.989 8.134 1.00 0.00 C ATOM 1243 O GLY A 79 -6.069 12.982 8.527 1.00 0.00 O ATOM 0 H GLY A 79 -8.736 9.909 7.779 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -8.701 12.194 7.453 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -8.492 12.473 9.171 1.00 0.00 H new ATOM 1247 N LYS A 80 -6.111 10.977 7.526 1.00 0.00 N ATOM 1248 CA LYS A 80 -4.708 10.915 7.237 1.00 0.00 C ATOM 1249 C LYS A 80 -4.437 11.409 5.830 1.00 0.00 C ATOM 1250 O LYS A 80 -5.330 11.983 5.185 1.00 0.00 O ATOM 1251 CB LYS A 80 -4.229 9.476 7.418 1.00 0.00 C ATOM 1252 CG LYS A 80 -3.953 9.099 8.860 1.00 0.00 C ATOM 1253 CD LYS A 80 -3.442 7.680 8.963 1.00 0.00 C ATOM 1254 CE LYS A 80 -3.135 7.285 10.403 1.00 0.00 C ATOM 1255 NZ LYS A 80 -2.079 8.122 11.026 1.00 0.00 N ATOM 0 H LYS A 80 -6.627 10.155 7.213 1.00 0.00 H new ATOM 0 HA LYS A 80 -4.160 11.561 7.923 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -4.981 8.799 7.013 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -3.321 9.329 6.834 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -3.220 9.785 9.284 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -4.865 9.204 9.448 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -4.184 6.997 8.550 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -2.541 7.575 8.359 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -4.046 7.360 10.996 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -2.824 6.241 10.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -1.868 7.762 11.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -1.218 8.085 10.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -2.410 9.106 11.093 1.00 0.00 H new ATOM 1269 N SER A 81 -3.221 11.219 5.367 1.00 0.00 N ATOM 1270 CA SER A 81 -2.828 11.565 4.049 1.00 0.00 C ATOM 1271 C SER A 81 -3.600 10.716 3.006 1.00 0.00 C ATOM 1272 O SER A 81 -4.330 9.778 3.378 1.00 0.00 O ATOM 1273 CB SER A 81 -1.345 11.332 3.972 1.00 0.00 C ATOM 1274 OG SER A 81 -0.670 12.107 4.960 1.00 0.00 O ATOM 0 H SER A 81 -2.471 10.808 5.923 1.00 0.00 H new ATOM 0 HA SER A 81 -3.061 12.606 3.823 1.00 0.00 H new ATOM 0 HB2 SER A 81 -1.128 10.274 4.119 1.00 0.00 H new ATOM 0 HB3 SER A 81 -0.979 11.597 2.980 1.00 0.00 H new ATOM 0 HG SER A 81 0.295 11.945 4.900 1.00 0.00 H new ATOM 1280 N GLY A 82 -3.438 11.011 1.734 1.00 0.00 N ATOM 1281 CA GLY A 82 -4.216 10.311 0.737 1.00 0.00 C ATOM 1282 C GLY A 82 -3.361 9.818 -0.381 1.00 0.00 C ATOM 1283 O GLY A 82 -2.240 9.359 -0.142 1.00 0.00 O ATOM 0 H GLY A 82 -2.792 11.713 1.373 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -4.730 9.469 1.201 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -4.985 10.975 0.342 1.00 0.00 H new ATOM 1287 N PHE A 83 -3.912 9.810 -1.562 1.00 0.00 N ATOM 1288 CA PHE A 83 -3.209 9.535 -2.754 1.00 0.00 C ATOM 1289 C PHE A 83 -3.436 10.720 -3.661 1.00 0.00 C ATOM 1290 O PHE A 83 -4.334 11.536 -3.407 1.00 0.00 O ATOM 1291 CB PHE A 83 -3.763 8.297 -3.456 1.00 0.00 C ATOM 1292 CG PHE A 83 -3.882 7.061 -2.608 1.00 0.00 C ATOM 1293 CD1 PHE A 83 -2.756 6.443 -2.116 1.00 0.00 C ATOM 1294 CD2 PHE A 83 -5.128 6.505 -2.318 1.00 0.00 C ATOM 1295 CE1 PHE A 83 -2.856 5.305 -1.351 1.00 0.00 C ATOM 1296 CE2 PHE A 83 -5.227 5.364 -1.551 1.00 0.00 C ATOM 1297 CZ PHE A 83 -4.090 4.762 -1.067 1.00 0.00 C ATOM 0 H PHE A 83 -4.902 10.004 -1.712 1.00 0.00 H new ATOM 0 HA PHE A 83 -2.157 9.359 -2.530 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -4.749 8.539 -3.853 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -3.123 8.069 -4.309 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.782 6.856 -2.333 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -6.024 6.973 -2.698 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -1.962 4.834 -0.970 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -6.197 4.943 -1.331 1.00 0.00 H new ATOM 0 HZ PHE A 83 -4.164 3.867 -0.467 1.00 0.00 H new ATOM 1307 N LYS A 84 -2.658 10.824 -4.674 1.00 0.00 N ATOM 1308 CA LYS A 84 -2.805 11.852 -5.655 1.00 0.00 C ATOM 1309 C LYS A 84 -3.824 11.373 -6.681 1.00 0.00 C ATOM 1310 O LYS A 84 -4.014 10.158 -6.850 1.00 0.00 O ATOM 1311 CB LYS A 84 -1.436 12.120 -6.277 1.00 0.00 C ATOM 1312 CG LYS A 84 -1.362 13.281 -7.251 1.00 0.00 C ATOM 1313 CD LYS A 84 0.088 13.665 -7.557 1.00 0.00 C ATOM 1314 CE LYS A 84 0.857 12.561 -8.275 1.00 0.00 C ATOM 1315 NZ LYS A 84 2.273 12.945 -8.513 1.00 0.00 N ATOM 0 H LYS A 84 -1.882 10.187 -4.855 1.00 0.00 H new ATOM 0 HA LYS A 84 -3.165 12.787 -5.226 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -0.723 12.301 -5.473 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -1.111 11.217 -6.794 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -1.872 13.014 -8.177 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.887 14.141 -6.835 1.00 0.00 H new ATOM 0 HD2 LYS A 84 0.098 14.566 -8.171 1.00 0.00 H new ATOM 0 HD3 LYS A 84 0.598 13.909 -6.625 1.00 0.00 H new ATOM 0 HE2 LYS A 84 0.822 11.648 -7.681 1.00 0.00 H new ATOM 0 HE3 LYS A 84 0.374 12.341 -9.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 2.675 12.344 -9.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 2.318 13.941 -8.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 2.819 12.819 -7.637 1.00 0.00 H new ATOM 1329 N GLN A 85 -4.481 12.292 -7.336 1.00 0.00 N ATOM 1330 CA GLN A 85 -5.512 11.989 -8.249 1.00 0.00 C ATOM 1331 C GLN A 85 -4.990 11.385 -9.549 1.00 0.00 C ATOM 1332 O GLN A 85 -4.533 12.089 -10.450 1.00 0.00 O ATOM 1333 CB GLN A 85 -6.360 13.225 -8.503 1.00 0.00 C ATOM 1334 CG GLN A 85 -7.301 13.619 -7.357 1.00 0.00 C ATOM 1335 CD GLN A 85 -6.595 14.134 -6.108 1.00 0.00 C ATOM 1336 OE1 GLN A 85 -5.530 14.756 -6.175 1.00 0.00 O ATOM 1337 NE2 GLN A 85 -7.163 13.862 -4.969 1.00 0.00 N ATOM 0 H GLN A 85 -4.298 13.291 -7.236 1.00 0.00 H new ATOM 0 HA GLN A 85 -6.139 11.220 -7.797 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -5.697 14.064 -8.712 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -6.956 13.059 -9.400 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -7.986 14.387 -7.714 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -7.906 12.753 -7.086 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -8.043 13.346 -4.948 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -6.728 14.165 -4.097 1.00 0.00 H new ATOM 1346 N GLY A 86 -4.984 10.085 -9.586 1.00 0.00 N ATOM 1347 CA GLY A 86 -4.616 9.341 -10.739 1.00 0.00 C ATOM 1348 C GLY A 86 -4.978 7.918 -10.492 1.00 0.00 C ATOM 1349 O GLY A 86 -4.968 7.513 -9.309 1.00 0.00 O ATOM 1350 OXT GLY A 86 -5.343 7.203 -11.434 1.00 0.00 O ATOM 0 H GLY A 86 -5.243 9.503 -8.789 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -5.133 9.720 -11.620 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -3.547 9.436 -10.931 1.00 0.00 H new