USER MOD reduce.3.24.130724 H: found=0, std=0, add=426, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 424 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 14 CYS SG : rot 83:sc= -1.61 USER MOD Set 1.2: A 43 CYS SG : rot -156:sc= -0.344 USER MOD Set 2.1: A 7 CYS SG : rot 151:sc= -0.209 USER MOD Set 2.2: A 36 CYS SG : rot -149:sc= -0.0299 USER MOD Set 2.3: A 41 ASN : amide:sc= -3.84 K(o=-4.1,f=-5.5!) USER MOD Set 3.1: A 33 ASN : amide:sc= 0 K(o=0,f=-2.6!) USER MOD Set 3.2: A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 18 ASN :FLIP amide:sc= 0.0836 F(o=-2.1,f=0.3) USER MOD Set 4.2: A 24 THR OG1 : rot 120:sc= 0.213 USER MOD Set 5.1: A 8 THR OG1 : rot 123:sc= 0.88 USER MOD Set 5.2: A 10 SER OG : rot 180:sc= 0.198 USER MOD Set 6.1: A 6 LYS NZ :NH3+ -174:sc= 0.475 (180deg=0) USER MOD Set 6.2: A 40 ASN : amide:sc= -1.33 K(o=-0.86,f=-2.4) USER MOD Set 7.1: A 1 ALA N :NH3+ -123:sc= 0.126 (180deg=0) USER MOD Set 7.2: A 47 THR OG1 : rot -73:sc= -0.457 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -1.49 X(o=-1.5,f=-1) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= -0.888 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 CYS SG : rot -137:sc= -0.265 USER MOD Single : A 30 LYS NZ :NH3+ -175:sc= 0.542 (180deg=0.497) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot -58:sc= 0.834 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.329 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.0742 X(o=-0.074,f=-0.085) USER MOD Single : A 50 ASN : amide:sc= -0.391 X(o=-0.39,f=-0.052) USER MOD Single : A 54 CYS SG : rot 7:sc= -0.329 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -14.578 1.078 2.182 1.00 0.00 N ATOM 2 CA ALA A 1 -14.256 1.167 0.763 1.00 0.00 C ATOM 3 C ALA A 1 -12.873 0.591 0.477 1.00 0.00 C ATOM 4 O ALA A 1 -12.245 -0.008 1.350 1.00 0.00 O ATOM 5 CB ALA A 1 -14.336 2.611 0.293 1.00 0.00 C ATOM 0 H1 ALA A 1 -15.462 0.544 2.305 1.00 0.00 H new ATOM 0 H2 ALA A 1 -13.807 0.591 2.683 1.00 0.00 H new ATOM 0 H3 ALA A 1 -14.695 2.035 2.572 1.00 0.00 H new ATOM 0 HA ALA A 1 -14.988 0.577 0.212 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -14.093 2.662 -0.768 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -15.345 2.990 0.453 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -13.627 3.217 0.857 1.00 0.00 H new ATOM 11 N LYS A 2 -12.403 0.776 -0.752 1.00 0.00 N ATOM 12 CA LYS A 2 -11.094 0.276 -1.154 1.00 0.00 C ATOM 13 C LYS A 2 -10.319 1.339 -1.925 1.00 0.00 C ATOM 14 O LYS A 2 -10.894 2.317 -2.403 1.00 0.00 O ATOM 15 CB LYS A 2 -11.247 -0.982 -2.013 1.00 0.00 C ATOM 16 CG LYS A 2 -11.820 -2.168 -1.258 1.00 0.00 C ATOM 17 CD LYS A 2 -11.553 -3.474 -1.986 1.00 0.00 C ATOM 18 CE LYS A 2 -12.742 -3.891 -2.839 1.00 0.00 C ATOM 19 NZ LYS A 2 -12.476 -5.152 -3.585 1.00 0.00 N ATOM 0 H LYS A 2 -12.910 1.269 -1.487 1.00 0.00 H new ATOM 0 HA LYS A 2 -10.535 0.027 -0.252 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -11.893 -0.756 -2.862 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -10.273 -1.256 -2.418 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -11.383 -2.211 -0.260 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -12.894 -2.035 -1.130 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -10.671 -3.366 -2.617 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -11.332 -4.257 -1.261 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -13.617 -4.024 -2.202 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -12.979 -3.095 -3.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -13.310 -5.401 -4.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -11.657 -5.018 -4.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -12.275 -5.918 -2.911 1.00 0.00 H new ATOM 33 N TYR A 3 -9.011 1.143 -2.043 1.00 0.00 N ATOM 34 CA TYR A 3 -8.157 2.085 -2.754 1.00 0.00 C ATOM 35 C TYR A 3 -7.026 1.359 -3.478 1.00 0.00 C ATOM 36 O TYR A 3 -6.282 0.584 -2.875 1.00 0.00 O ATOM 37 CB TYR A 3 -7.576 3.114 -1.783 1.00 0.00 C ATOM 38 CG TYR A 3 -8.616 4.025 -1.172 1.00 0.00 C ATOM 39 CD1 TYR A 3 -9.014 5.189 -1.817 1.00 0.00 C ATOM 40 CD2 TYR A 3 -9.202 3.722 0.051 1.00 0.00 C ATOM 41 CE1 TYR A 3 -9.965 6.025 -1.262 1.00 0.00 C ATOM 42 CE2 TYR A 3 -10.154 4.550 0.612 1.00 0.00 C ATOM 43 CZ TYR A 3 -10.532 5.701 -0.048 1.00 0.00 C ATOM 44 OH TYR A 3 -11.479 6.530 0.508 1.00 0.00 O ATOM 0 H TYR A 3 -8.519 0.339 -1.655 1.00 0.00 H new ATOM 0 HA TYR A 3 -8.768 2.599 -3.496 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -7.049 2.591 -0.985 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -6.838 3.720 -2.308 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -8.573 5.445 -2.769 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -8.908 2.823 0.572 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -10.262 6.927 -1.777 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -10.600 4.298 1.563 1.00 0.00 H new ATOM 0 HH TYR A 3 -11.778 6.157 1.363 1.00 0.00 H new ATOM 54 N THR A 4 -6.904 1.615 -4.777 1.00 0.00 N ATOM 55 CA THR A 4 -5.866 0.986 -5.585 1.00 0.00 C ATOM 56 C THR A 4 -4.705 1.942 -5.830 1.00 0.00 C ATOM 57 O THR A 4 -4.908 3.105 -6.174 1.00 0.00 O ATOM 58 CB THR A 4 -6.420 0.510 -6.940 1.00 0.00 C ATOM 59 OG1 THR A 4 -5.428 -0.253 -7.635 1.00 0.00 O ATOM 60 CG2 THR A 4 -6.848 1.694 -7.796 1.00 0.00 C ATOM 0 H THR A 4 -7.511 2.253 -5.292 1.00 0.00 H new ATOM 0 HA THR A 4 -5.509 0.122 -5.024 1.00 0.00 H new ATOM 0 HB THR A 4 -7.292 -0.116 -6.751 1.00 0.00 H new ATOM 0 HG1 THR A 4 -5.789 -0.553 -8.495 1.00 0.00 H new ATOM 0 HG21 THR A 4 -7.236 1.333 -8.748 1.00 0.00 H new ATOM 0 HG22 THR A 4 -7.625 2.256 -7.277 1.00 0.00 H new ATOM 0 HG23 THR A 4 -5.990 2.342 -7.976 1.00 0.00 H new ATOM 68 N GLY A 5 -3.485 1.443 -5.651 1.00 0.00 N ATOM 69 CA GLY A 5 -2.309 2.268 -5.859 1.00 0.00 C ATOM 70 C GLY A 5 -1.086 1.452 -6.229 1.00 0.00 C ATOM 71 O GLY A 5 -1.140 0.610 -7.125 1.00 0.00 O ATOM 0 H GLY A 5 -3.291 0.483 -5.366 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -2.512 2.992 -6.649 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -2.102 2.836 -4.952 1.00 0.00 H new ATOM 75 N LYS A 6 0.020 1.700 -5.537 1.00 0.00 N ATOM 76 CA LYS A 6 1.263 0.983 -5.796 1.00 0.00 C ATOM 77 C LYS A 6 2.291 1.264 -4.706 1.00 0.00 C ATOM 78 O LYS A 6 2.232 2.296 -4.035 1.00 0.00 O ATOM 79 CB LYS A 6 1.829 1.379 -7.162 1.00 0.00 C ATOM 80 CG LYS A 6 1.342 2.732 -7.652 1.00 0.00 C ATOM 81 CD LYS A 6 2.313 3.347 -8.647 1.00 0.00 C ATOM 82 CE LYS A 6 3.039 4.543 -8.051 1.00 0.00 C ATOM 83 NZ LYS A 6 3.325 5.585 -9.075 1.00 0.00 N ATOM 0 H LYS A 6 0.081 2.393 -4.791 1.00 0.00 H new ATOM 0 HA LYS A 6 1.044 -0.085 -5.796 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.917 1.393 -7.105 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.558 0.618 -7.893 1.00 0.00 H new ATOM 0 HG2 LYS A 6 0.363 2.620 -8.119 1.00 0.00 H new ATOM 0 HG3 LYS A 6 1.215 3.404 -6.803 1.00 0.00 H new ATOM 0 HD2 LYS A 6 3.040 2.597 -8.959 1.00 0.00 H new ATOM 0 HD3 LYS A 6 1.772 3.657 -9.541 1.00 0.00 H new ATOM 0 HE2 LYS A 6 2.434 4.974 -7.253 1.00 0.00 H new ATOM 0 HE3 LYS A 6 3.974 4.212 -7.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 3.908 6.336 -8.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 3.836 5.157 -9.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 2.431 5.992 -9.416 1.00 0.00 H new ATOM 97 N CYS A 7 3.234 0.344 -4.535 1.00 0.00 N ATOM 98 CA CYS A 7 4.277 0.494 -3.527 1.00 0.00 C ATOM 99 C CYS A 7 5.660 0.330 -4.146 1.00 0.00 C ATOM 100 O CYS A 7 5.833 -0.400 -5.124 1.00 0.00 O ATOM 101 CB CYS A 7 4.082 -0.527 -2.405 1.00 0.00 C ATOM 102 SG CYS A 7 3.615 -2.177 -2.983 1.00 0.00 S ATOM 0 H CYS A 7 3.298 -0.514 -5.082 1.00 0.00 H new ATOM 0 HA CYS A 7 4.203 1.499 -3.111 1.00 0.00 H new ATOM 0 HB2 CYS A 7 5.006 -0.602 -1.832 1.00 0.00 H new ATOM 0 HB3 CYS A 7 3.313 -0.161 -1.724 1.00 0.00 H new ATOM 0 HG CYS A 7 4.053 -3.070 -2.146 1.00 0.00 H new ATOM 108 N THR A 8 6.645 1.015 -3.573 1.00 0.00 N ATOM 109 CA THR A 8 8.013 0.947 -4.071 1.00 0.00 C ATOM 110 C THR A 8 8.800 -0.153 -3.369 1.00 0.00 C ATOM 111 O THR A 8 8.639 -0.377 -2.169 1.00 0.00 O ATOM 112 CB THR A 8 8.747 2.288 -3.881 1.00 0.00 C ATOM 113 OG1 THR A 8 9.151 2.437 -2.515 1.00 0.00 O ATOM 114 CG2 THR A 8 7.856 3.455 -4.281 1.00 0.00 C ATOM 0 H THR A 8 6.520 1.623 -2.764 1.00 0.00 H new ATOM 0 HA THR A 8 7.951 0.722 -5.136 1.00 0.00 H new ATOM 0 HB THR A 8 9.628 2.288 -4.522 1.00 0.00 H new ATOM 0 HG1 THR A 8 10.120 2.578 -2.474 1.00 0.00 H new ATOM 0 HG21 THR A 8 8.396 4.391 -4.138 1.00 0.00 H new ATOM 0 HG22 THR A 8 7.574 3.355 -5.329 1.00 0.00 H new ATOM 0 HG23 THR A 8 6.958 3.456 -3.663 1.00 0.00 H new ATOM 122 N LYS A 9 9.653 -0.839 -4.123 1.00 0.00 N ATOM 123 CA LYS A 9 10.467 -1.915 -3.574 1.00 0.00 C ATOM 124 C LYS A 9 11.203 -1.455 -2.320 1.00 0.00 C ATOM 125 O LYS A 9 11.367 -2.220 -1.369 1.00 0.00 O ATOM 126 CB LYS A 9 11.473 -2.405 -4.618 1.00 0.00 C ATOM 127 CG LYS A 9 12.158 -1.282 -5.377 1.00 0.00 C ATOM 128 CD LYS A 9 13.283 -1.807 -6.253 1.00 0.00 C ATOM 129 CE LYS A 9 14.394 -2.430 -5.421 1.00 0.00 C ATOM 130 NZ LYS A 9 15.583 -2.769 -6.249 1.00 0.00 N ATOM 0 H LYS A 9 9.798 -0.667 -5.118 1.00 0.00 H new ATOM 0 HA LYS A 9 9.804 -2.737 -3.304 1.00 0.00 H new ATOM 0 HB2 LYS A 9 12.231 -3.013 -4.123 1.00 0.00 H new ATOM 0 HB3 LYS A 9 10.960 -3.052 -5.329 1.00 0.00 H new ATOM 0 HG2 LYS A 9 11.427 -0.761 -5.995 1.00 0.00 H new ATOM 0 HG3 LYS A 9 12.555 -0.553 -4.670 1.00 0.00 H new ATOM 0 HD2 LYS A 9 12.888 -2.548 -6.948 1.00 0.00 H new ATOM 0 HD3 LYS A 9 13.689 -0.992 -6.852 1.00 0.00 H new ATOM 0 HE2 LYS A 9 14.687 -1.739 -4.631 1.00 0.00 H new ATOM 0 HE3 LYS A 9 14.021 -3.331 -4.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 16.317 -3.191 -5.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 15.309 -3.448 -6.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 15.954 -1.905 -6.693 1.00 0.00 H new ATOM 144 N SER A 10 11.644 -0.201 -2.325 1.00 0.00 N ATOM 145 CA SER A 10 12.364 0.361 -1.188 1.00 0.00 C ATOM 146 C SER A 10 11.408 0.684 -0.044 1.00 0.00 C ATOM 147 O SER A 10 11.776 0.612 1.128 1.00 0.00 O ATOM 148 CB SER A 10 13.120 1.622 -1.609 1.00 0.00 C ATOM 149 OG SER A 10 12.256 2.545 -2.250 1.00 0.00 O ATOM 0 H SER A 10 11.515 0.445 -3.104 1.00 0.00 H new ATOM 0 HA SER A 10 13.080 -0.383 -0.839 1.00 0.00 H new ATOM 0 HB2 SER A 10 13.571 2.089 -0.733 1.00 0.00 H new ATOM 0 HB3 SER A 10 13.934 1.354 -2.282 1.00 0.00 H new ATOM 0 HG SER A 10 12.763 3.343 -2.508 1.00 0.00 H new ATOM 155 N LYS A 11 10.177 1.043 -0.394 1.00 0.00 N ATOM 156 CA LYS A 11 9.165 1.376 0.601 1.00 0.00 C ATOM 157 C LYS A 11 7.858 0.645 0.314 1.00 0.00 C ATOM 158 O LYS A 11 7.117 1.013 -0.597 1.00 0.00 O ATOM 159 CB LYS A 11 8.922 2.887 0.622 1.00 0.00 C ATOM 160 CG LYS A 11 9.114 3.514 1.993 1.00 0.00 C ATOM 161 CD LYS A 11 9.564 4.961 1.886 1.00 0.00 C ATOM 162 CE LYS A 11 11.034 5.116 2.243 1.00 0.00 C ATOM 163 NZ LYS A 11 11.221 5.498 3.670 1.00 0.00 N ATOM 0 H LYS A 11 9.856 1.111 -1.360 1.00 0.00 H new ATOM 0 HA LYS A 11 9.531 1.058 1.577 1.00 0.00 H new ATOM 0 HB2 LYS A 11 9.599 3.366 -0.085 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.907 3.088 0.278 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.179 3.463 2.552 1.00 0.00 H new ATOM 0 HG3 LYS A 11 9.853 2.943 2.555 1.00 0.00 H new ATOM 0 HD2 LYS A 11 9.395 5.321 0.871 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.960 5.581 2.549 1.00 0.00 H new ATOM 0 HE2 LYS A 11 11.556 4.180 2.046 1.00 0.00 H new ATOM 0 HE3 LYS A 11 11.485 5.873 1.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 12.236 5.594 3.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 10.744 6.404 3.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 10.813 4.763 4.282 1.00 0.00 H new ATOM 177 N ASN A 12 7.580 -0.391 1.099 1.00 0.00 N ATOM 178 CA ASN A 12 6.361 -1.174 0.929 1.00 0.00 C ATOM 179 C ASN A 12 5.166 -0.459 1.552 1.00 0.00 C ATOM 180 O ASN A 12 4.669 -0.861 2.603 1.00 0.00 O ATOM 181 CB ASN A 12 6.528 -2.558 1.559 1.00 0.00 C ATOM 182 CG ASN A 12 5.245 -3.367 1.525 1.00 0.00 C ATOM 183 OD1 ASN A 12 4.485 -3.306 0.558 1.00 0.00 O ATOM 184 ND2 ASN A 12 4.998 -4.129 2.584 1.00 0.00 N ATOM 0 H ASN A 12 8.182 -0.708 1.859 1.00 0.00 H new ATOM 0 HA ASN A 12 6.177 -1.289 -0.139 1.00 0.00 H new ATOM 0 HB2 ASN A 12 7.312 -3.102 1.032 1.00 0.00 H new ATOM 0 HB3 ASN A 12 6.857 -2.447 2.592 1.00 0.00 H new ATOM 0 HD21 ASN A 12 4.150 -4.695 2.619 1.00 0.00 H new ATOM 0 HD22 ASN A 12 5.656 -4.149 3.363 1.00 0.00 H new ATOM 191 N GLU A 13 4.707 0.600 0.893 1.00 0.00 N ATOM 192 CA GLU A 13 3.570 1.371 1.382 1.00 0.00 C ATOM 193 C GLU A 13 2.665 1.796 0.230 1.00 0.00 C ATOM 194 O GLU A 13 3.119 1.952 -0.905 1.00 0.00 O ATOM 195 CB GLU A 13 4.053 2.604 2.149 1.00 0.00 C ATOM 196 CG GLU A 13 4.588 3.707 1.252 1.00 0.00 C ATOM 197 CD GLU A 13 5.749 4.456 1.878 1.00 0.00 C ATOM 198 OE1 GLU A 13 5.913 4.372 3.113 1.00 0.00 O ATOM 199 OE2 GLU A 13 6.491 5.128 1.132 1.00 0.00 O ATOM 0 H GLU A 13 5.105 0.944 0.019 1.00 0.00 H new ATOM 0 HA GLU A 13 2.996 0.735 2.056 1.00 0.00 H new ATOM 0 HB2 GLU A 13 3.228 2.998 2.743 1.00 0.00 H new ATOM 0 HB3 GLU A 13 4.834 2.304 2.847 1.00 0.00 H new ATOM 0 HG2 GLU A 13 4.908 3.276 0.303 1.00 0.00 H new ATOM 0 HG3 GLU A 13 3.785 4.410 1.028 1.00 0.00 H new ATOM 206 N CYS A 14 1.384 1.982 0.528 1.00 0.00 N ATOM 207 CA CYS A 14 0.415 2.388 -0.482 1.00 0.00 C ATOM 208 C CYS A 14 0.223 3.902 -0.474 1.00 0.00 C ATOM 209 O CYS A 14 -0.252 4.474 0.508 1.00 0.00 O ATOM 210 CB CYS A 14 -0.926 1.692 -0.243 1.00 0.00 C ATOM 211 SG CYS A 14 -2.251 2.243 -1.341 1.00 0.00 S ATOM 0 H CYS A 14 0.993 1.858 1.462 1.00 0.00 H new ATOM 0 HA CYS A 14 0.801 2.093 -1.458 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -0.792 0.617 -0.365 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -1.231 1.860 0.790 1.00 0.00 H new ATOM 0 HG CYS A 14 -2.173 1.603 -2.470 1.00 0.00 H new ATOM 217 N LYS A 15 0.596 4.546 -1.574 1.00 0.00 N ATOM 218 CA LYS A 15 0.467 5.994 -1.695 1.00 0.00 C ATOM 219 C LYS A 15 -0.787 6.364 -2.483 1.00 0.00 C ATOM 220 O LYS A 15 -0.702 6.887 -3.594 1.00 0.00 O ATOM 221 CB LYS A 15 1.702 6.582 -2.380 1.00 0.00 C ATOM 222 CG LYS A 15 2.033 5.926 -3.710 1.00 0.00 C ATOM 223 CD LYS A 15 3.391 5.245 -3.674 1.00 0.00 C ATOM 224 CE LYS A 15 4.524 6.257 -3.749 1.00 0.00 C ATOM 225 NZ LYS A 15 4.832 6.640 -5.155 1.00 0.00 N ATOM 0 H LYS A 15 0.991 4.088 -2.396 1.00 0.00 H new ATOM 0 HA LYS A 15 0.382 6.411 -0.691 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.544 7.649 -2.540 1.00 0.00 H new ATOM 0 HB3 LYS A 15 2.558 6.483 -1.713 1.00 0.00 H new ATOM 0 HG2 LYS A 15 1.264 5.194 -3.957 1.00 0.00 H new ATOM 0 HG3 LYS A 15 2.023 6.677 -4.500 1.00 0.00 H new ATOM 0 HD2 LYS A 15 3.483 4.662 -2.758 1.00 0.00 H new ATOM 0 HD3 LYS A 15 3.471 4.546 -4.506 1.00 0.00 H new ATOM 0 HE2 LYS A 15 4.254 7.147 -3.181 1.00 0.00 H new ATOM 0 HE3 LYS A 15 5.416 5.839 -3.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 5.609 7.331 -5.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 5.114 5.795 -5.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 3.988 7.062 -5.593 1.00 0.00 H new ATOM 239 N TYR A 16 -1.949 6.090 -1.900 1.00 0.00 N ATOM 240 CA TYR A 16 -3.220 6.392 -2.547 1.00 0.00 C ATOM 241 C TYR A 16 -3.755 7.746 -2.089 1.00 0.00 C ATOM 242 O TYR A 16 -3.059 8.508 -1.419 1.00 0.00 O ATOM 243 CB TYR A 16 -4.243 5.297 -2.245 1.00 0.00 C ATOM 244 CG TYR A 16 -4.801 5.358 -0.842 1.00 0.00 C ATOM 245 CD1 TYR A 16 -4.058 4.907 0.242 1.00 0.00 C ATOM 246 CD2 TYR A 16 -6.071 5.867 -0.599 1.00 0.00 C ATOM 247 CE1 TYR A 16 -4.563 4.961 1.527 1.00 0.00 C ATOM 248 CE2 TYR A 16 -6.583 5.926 0.682 1.00 0.00 C ATOM 249 CZ TYR A 16 -5.825 5.472 1.742 1.00 0.00 C ATOM 250 OH TYR A 16 -6.333 5.527 3.020 1.00 0.00 O ATOM 0 H TYR A 16 -2.037 5.659 -0.980 1.00 0.00 H new ATOM 0 HA TYR A 16 -3.051 6.434 -3.623 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -5.065 5.373 -2.957 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -3.777 4.324 -2.399 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -3.068 4.507 0.077 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -6.668 6.222 -1.426 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -3.972 4.605 2.358 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -7.572 6.325 0.853 1.00 0.00 H new ATOM 0 HH TYR A 16 -7.233 5.915 2.998 1.00 0.00 H new ATOM 260 N LYS A 17 -5.000 8.035 -2.454 1.00 0.00 N ATOM 261 CA LYS A 17 -5.633 9.294 -2.080 1.00 0.00 C ATOM 262 C LYS A 17 -7.006 9.050 -1.461 1.00 0.00 C ATOM 263 O LYS A 17 -7.829 8.327 -2.021 1.00 0.00 O ATOM 264 CB LYS A 17 -5.768 10.204 -3.303 1.00 0.00 C ATOM 265 CG LYS A 17 -4.455 10.444 -4.030 1.00 0.00 C ATOM 266 CD LYS A 17 -4.587 10.175 -5.520 1.00 0.00 C ATOM 267 CE LYS A 17 -3.851 11.223 -6.341 1.00 0.00 C ATOM 268 NZ LYS A 17 -4.272 11.202 -7.770 1.00 0.00 N ATOM 0 H LYS A 17 -5.590 7.414 -3.008 1.00 0.00 H new ATOM 0 HA LYS A 17 -5.001 9.783 -1.339 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -6.483 9.762 -3.997 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -6.180 11.163 -2.988 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.133 11.473 -3.872 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -3.682 9.800 -3.610 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.190 9.186 -5.749 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.641 10.167 -5.798 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -4.039 12.211 -5.921 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -2.777 11.048 -6.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -3.749 11.930 -8.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -4.070 10.267 -8.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -5.292 11.394 -7.834 1.00 0.00 H new ATOM 282 N ASN A 18 -7.246 9.659 -0.305 1.00 0.00 N ATOM 283 CA ASN A 18 -8.519 9.508 0.390 1.00 0.00 C ATOM 284 C ASN A 18 -9.200 10.860 0.578 1.00 0.00 C ATOM 285 O ASN A 18 -8.600 11.907 0.336 1.00 0.00 O ATOM 286 CB ASN A 18 -8.307 8.837 1.749 1.00 0.00 C ATOM 287 CG ASN A 18 -8.004 9.839 2.846 1.00 0.00 C ATOM 288 OD1 ASN A 18 -6.860 10.505 2.739 1.00 0.00 O flip ATOM 289 ND2 ASN A 18 -8.788 10.011 3.779 1.00 0.00 N flip ATOM 0 H ASN A 18 -6.575 10.262 0.171 1.00 0.00 H new ATOM 0 HA ASN A 18 -9.165 8.878 -0.221 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -9.199 8.270 2.015 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -7.486 8.124 1.675 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -9.656 9.477 3.821 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -8.570 10.688 4.510 1.00 0.00 H new ATOM 296 N ASP A 19 -10.456 10.828 1.010 1.00 0.00 N ATOM 297 CA ASP A 19 -11.218 12.051 1.232 1.00 0.00 C ATOM 298 C ASP A 19 -11.591 12.708 -0.093 1.00 0.00 C ATOM 299 O ASP A 19 -12.759 12.721 -0.483 1.00 0.00 O ATOM 300 CB ASP A 19 -10.416 13.029 2.092 1.00 0.00 C ATOM 301 CG ASP A 19 -11.298 14.044 2.792 1.00 0.00 C ATOM 302 OD1 ASP A 19 -11.848 13.713 3.863 1.00 0.00 O ATOM 303 OD2 ASP A 19 -11.439 15.169 2.268 1.00 0.00 O ATOM 0 H ASP A 19 -10.967 9.969 1.213 1.00 0.00 H new ATOM 0 HA ASP A 19 -12.136 11.786 1.757 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -9.848 12.472 2.836 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -9.694 13.551 1.465 1.00 0.00 H new ATOM 308 N ALA A 20 -10.593 13.253 -0.779 1.00 0.00 N ATOM 309 CA ALA A 20 -10.815 13.910 -2.061 1.00 0.00 C ATOM 310 C ALA A 20 -9.506 14.425 -2.649 1.00 0.00 C ATOM 311 O ALA A 20 -9.322 15.629 -2.820 1.00 0.00 O ATOM 312 CB ALA A 20 -11.810 15.051 -1.904 1.00 0.00 C ATOM 0 H ALA A 20 -9.621 13.253 -0.468 1.00 0.00 H new ATOM 0 HA ALA A 20 -11.228 13.174 -2.751 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -11.966 15.533 -2.869 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -12.758 14.659 -1.536 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -11.419 15.780 -1.194 1.00 0.00 H new ATOM 318 N GLY A 21 -8.598 13.503 -2.957 1.00 0.00 N ATOM 319 CA GLY A 21 -7.317 13.885 -3.522 1.00 0.00 C ATOM 320 C GLY A 21 -6.262 14.120 -2.459 1.00 0.00 C ATOM 321 O GLY A 21 -5.248 14.770 -2.714 1.00 0.00 O ATOM 0 H GLY A 21 -8.727 12.500 -2.825 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -6.976 13.104 -4.202 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -7.440 14.792 -4.114 1.00 0.00 H new ATOM 325 N LYS A 22 -6.500 13.593 -1.264 1.00 0.00 N ATOM 326 CA LYS A 22 -5.563 13.748 -0.158 1.00 0.00 C ATOM 327 C LYS A 22 -4.402 12.768 -0.286 1.00 0.00 C ATOM 328 O LYS A 22 -4.346 11.976 -1.227 1.00 0.00 O ATOM 329 CB LYS A 22 -6.280 13.535 1.178 1.00 0.00 C ATOM 330 CG LYS A 22 -5.804 14.467 2.279 1.00 0.00 C ATOM 331 CD LYS A 22 -5.728 13.755 3.619 1.00 0.00 C ATOM 332 CE LYS A 22 -5.640 14.743 4.771 1.00 0.00 C ATOM 333 NZ LYS A 22 -5.471 14.056 6.081 1.00 0.00 N ATOM 0 H LYS A 22 -7.335 13.054 -1.036 1.00 0.00 H new ATOM 0 HA LYS A 22 -5.164 14.762 -0.192 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -7.351 13.675 1.032 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -6.134 12.503 1.499 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -4.822 14.865 2.021 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -6.482 15.317 2.356 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -6.607 13.123 3.747 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -4.858 13.098 3.634 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -4.802 15.420 4.605 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -6.543 15.354 4.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -5.415 14.765 6.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -6.283 13.429 6.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -4.596 13.493 6.068 1.00 0.00 H new ATOM 347 N ASP A 23 -3.478 12.825 0.666 1.00 0.00 N ATOM 348 CA ASP A 23 -2.319 11.940 0.661 1.00 0.00 C ATOM 349 C ASP A 23 -2.350 10.996 1.859 1.00 0.00 C ATOM 350 O ASP A 23 -2.520 11.428 3.000 1.00 0.00 O ATOM 351 CB ASP A 23 -1.026 12.758 0.674 1.00 0.00 C ATOM 352 CG ASP A 23 -1.050 13.896 -0.326 1.00 0.00 C ATOM 353 OD1 ASP A 23 -0.746 13.650 -1.512 1.00 0.00 O ATOM 354 OD2 ASP A 23 -1.373 15.033 0.076 1.00 0.00 O ATOM 0 H ASP A 23 -3.509 13.475 1.452 1.00 0.00 H new ATOM 0 HA ASP A 23 -2.353 11.343 -0.250 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -0.864 13.161 1.674 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -0.183 12.103 0.454 1.00 0.00 H new ATOM 359 N THR A 24 -2.187 9.704 1.592 1.00 0.00 N ATOM 360 CA THR A 24 -2.199 8.698 2.647 1.00 0.00 C ATOM 361 C THR A 24 -1.188 7.593 2.365 1.00 0.00 C ATOM 362 O THR A 24 -1.179 7.007 1.283 1.00 0.00 O ATOM 363 CB THR A 24 -3.597 8.070 2.809 1.00 0.00 C ATOM 364 OG1 THR A 24 -4.550 9.080 3.156 1.00 0.00 O ATOM 365 CG2 THR A 24 -3.583 6.988 3.879 1.00 0.00 C ATOM 0 H THR A 24 -2.045 9.330 0.654 1.00 0.00 H new ATOM 0 HA THR A 24 -1.928 9.207 3.572 1.00 0.00 H new ATOM 0 HB THR A 24 -3.880 7.616 1.859 1.00 0.00 H new ATOM 0 HG1 THR A 24 -5.245 9.125 2.466 1.00 0.00 H new ATOM 0 HG21 THR A 24 -4.580 6.559 3.976 1.00 0.00 H new ATOM 0 HG22 THR A 24 -2.878 6.206 3.597 1.00 0.00 H new ATOM 0 HG23 THR A 24 -3.281 7.423 4.832 1.00 0.00 H new ATOM 373 N PHE A 25 -0.336 7.312 3.346 1.00 0.00 N ATOM 374 CA PHE A 25 0.681 6.277 3.203 1.00 0.00 C ATOM 375 C PHE A 25 0.622 5.293 4.367 1.00 0.00 C ATOM 376 O PHE A 25 0.789 5.676 5.527 1.00 0.00 O ATOM 377 CB PHE A 25 2.072 6.907 3.122 1.00 0.00 C ATOM 378 CG PHE A 25 2.203 7.933 2.034 1.00 0.00 C ATOM 379 CD1 PHE A 25 1.728 9.222 2.218 1.00 0.00 C ATOM 380 CD2 PHE A 25 2.802 7.611 0.827 1.00 0.00 C ATOM 381 CE1 PHE A 25 1.847 10.168 1.218 1.00 0.00 C ATOM 382 CE2 PHE A 25 2.923 8.553 -0.178 1.00 0.00 C ATOM 383 CZ PHE A 25 2.446 9.834 0.019 1.00 0.00 C ATOM 0 H PHE A 25 -0.330 7.787 4.249 1.00 0.00 H new ATOM 0 HA PHE A 25 0.483 5.732 2.280 1.00 0.00 H new ATOM 0 HB2 PHE A 25 2.308 7.372 4.079 1.00 0.00 H new ATOM 0 HB3 PHE A 25 2.809 6.121 2.960 1.00 0.00 H new ATOM 0 HD1 PHE A 25 1.260 9.490 3.154 1.00 0.00 H new ATOM 0 HD2 PHE A 25 3.179 6.611 0.669 1.00 0.00 H new ATOM 0 HE1 PHE A 25 1.472 11.169 1.374 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.390 8.288 -1.115 1.00 0.00 H new ATOM 0 HZ PHE A 25 2.541 10.573 -0.763 1.00 0.00 H new ATOM 393 N ILE A 26 0.385 4.024 4.051 1.00 0.00 N ATOM 394 CA ILE A 26 0.305 2.986 5.071 1.00 0.00 C ATOM 395 C ILE A 26 1.081 1.742 4.650 1.00 0.00 C ATOM 396 O ILE A 26 0.671 1.019 3.741 1.00 0.00 O ATOM 397 CB ILE A 26 -1.155 2.593 5.361 1.00 0.00 C ATOM 398 CG1 ILE A 26 -1.205 1.400 6.317 1.00 0.00 C ATOM 399 CG2 ILE A 26 -1.885 2.271 4.065 1.00 0.00 C ATOM 400 CD1 ILE A 26 -0.478 1.640 7.623 1.00 0.00 C ATOM 0 H ILE A 26 0.245 3.690 3.097 1.00 0.00 H new ATOM 0 HA ILE A 26 0.748 3.399 5.977 1.00 0.00 H new ATOM 0 HB ILE A 26 -1.655 3.437 5.837 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.246 1.159 6.529 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.771 0.531 5.823 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.916 1.995 4.287 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.876 3.146 3.415 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.387 1.441 3.564 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.555 0.752 8.251 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.572 1.852 7.421 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.927 2.489 8.139 1.00 0.00 H new ATOM 412 N LYS A 27 2.202 1.496 5.318 1.00 0.00 N ATOM 413 CA LYS A 27 3.035 0.338 5.016 1.00 0.00 C ATOM 414 C LYS A 27 2.247 -0.958 5.187 1.00 0.00 C ATOM 415 O LYS A 27 1.823 -1.295 6.293 1.00 0.00 O ATOM 416 CB LYS A 27 4.269 0.320 5.922 1.00 0.00 C ATOM 417 CG LYS A 27 5.562 0.642 5.194 1.00 0.00 C ATOM 418 CD LYS A 27 6.196 1.919 5.719 1.00 0.00 C ATOM 419 CE LYS A 27 7.130 1.638 6.886 1.00 0.00 C ATOM 420 NZ LYS A 27 7.184 2.780 7.841 1.00 0.00 N ATOM 0 H LYS A 27 2.555 2.084 6.073 1.00 0.00 H new ATOM 0 HA LYS A 27 3.356 0.414 3.977 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.127 1.039 6.729 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.357 -0.664 6.383 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.261 -0.186 5.309 1.00 0.00 H new ATOM 0 HG3 LYS A 27 5.364 0.745 4.127 1.00 0.00 H new ATOM 0 HD2 LYS A 27 6.750 2.408 4.918 1.00 0.00 H new ATOM 0 HD3 LYS A 27 5.415 2.611 6.035 1.00 0.00 H new ATOM 0 HE2 LYS A 27 6.797 0.742 7.410 1.00 0.00 H new ATOM 0 HE3 LYS A 27 8.132 1.433 6.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 7.831 2.549 8.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 7.526 3.629 7.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 6.233 2.960 8.221 1.00 0.00 H new ATOM 434 N CYS A 28 2.059 -1.679 4.088 1.00 0.00 N ATOM 435 CA CYS A 28 1.323 -2.938 4.117 1.00 0.00 C ATOM 436 C CYS A 28 1.893 -3.876 5.176 1.00 0.00 C ATOM 437 O CYS A 28 3.070 -3.811 5.530 1.00 0.00 O ATOM 438 CB CYS A 28 1.368 -3.612 2.745 1.00 0.00 C ATOM 439 SG CYS A 28 0.826 -2.551 1.385 1.00 0.00 S ATOM 0 H CYS A 28 2.406 -1.414 3.166 1.00 0.00 H new ATOM 0 HA CYS A 28 0.286 -2.718 4.371 1.00 0.00 H new ATOM 0 HB2 CYS A 28 2.387 -3.945 2.548 1.00 0.00 H new ATOM 0 HB3 CYS A 28 0.741 -4.503 2.769 1.00 0.00 H new ATOM 0 HG CYS A 28 0.070 -3.233 0.577 1.00 0.00 H new ATOM 445 N PRO A 29 1.038 -4.770 5.697 1.00 0.00 N ATOM 446 CA PRO A 29 1.434 -5.738 6.724 1.00 0.00 C ATOM 447 C PRO A 29 2.375 -6.807 6.181 1.00 0.00 C ATOM 448 O PRO A 29 1.957 -7.929 5.891 1.00 0.00 O ATOM 449 CB PRO A 29 0.103 -6.364 7.152 1.00 0.00 C ATOM 450 CG PRO A 29 -0.791 -6.196 5.973 1.00 0.00 C ATOM 451 CD PRO A 29 -0.380 -4.905 5.321 1.00 0.00 C ATOM 0 HA PRO A 29 1.981 -5.266 7.540 1.00 0.00 H new ATOM 0 HB2 PRO A 29 0.225 -7.416 7.410 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -0.304 -5.866 8.032 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -0.687 -7.032 5.282 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -1.837 -6.163 6.278 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -0.507 -4.943 4.239 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -0.973 -4.065 5.683 1.00 0.00 H new ATOM 459 N LYS A 30 3.649 -6.454 6.046 1.00 0.00 N ATOM 460 CA LYS A 30 4.651 -7.384 5.539 1.00 0.00 C ATOM 461 C LYS A 30 6.008 -7.127 6.186 1.00 0.00 C ATOM 462 O LYS A 30 6.977 -6.786 5.506 1.00 0.00 O ATOM 463 CB LYS A 30 4.768 -7.261 4.018 1.00 0.00 C ATOM 464 CG LYS A 30 3.464 -7.519 3.284 1.00 0.00 C ATOM 465 CD LYS A 30 3.042 -8.975 3.390 1.00 0.00 C ATOM 466 CE LYS A 30 1.533 -9.128 3.287 1.00 0.00 C ATOM 467 NZ LYS A 30 0.996 -10.052 4.323 1.00 0.00 N ATOM 0 H LYS A 30 4.012 -5.530 6.281 1.00 0.00 H new ATOM 0 HA LYS A 30 4.333 -8.395 5.792 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.123 -6.261 3.769 1.00 0.00 H new ATOM 0 HB3 LYS A 30 5.521 -7.964 3.662 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.682 -6.882 3.696 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.577 -7.248 2.234 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.522 -9.552 2.600 1.00 0.00 H new ATOM 0 HD3 LYS A 30 3.386 -9.386 4.339 1.00 0.00 H new ATOM 0 HE2 LYS A 30 1.061 -8.151 3.392 1.00 0.00 H new ATOM 0 HE3 LYS A 30 1.273 -9.502 2.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -0.022 -10.195 4.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 1.488 -10.966 4.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 1.146 -9.641 5.266 1.00 0.00 H new ATOM 481 N PHE A 31 6.071 -7.293 7.502 1.00 0.00 N ATOM 482 CA PHE A 31 7.310 -7.080 8.242 1.00 0.00 C ATOM 483 C PHE A 31 8.148 -8.355 8.279 1.00 0.00 C ATOM 484 O PHE A 31 7.901 -9.248 9.091 1.00 0.00 O ATOM 485 CB PHE A 31 7.005 -6.614 9.667 1.00 0.00 C ATOM 486 CG PHE A 31 5.938 -5.558 9.737 1.00 0.00 C ATOM 487 CD1 PHE A 31 6.251 -4.223 9.538 1.00 0.00 C ATOM 488 CD2 PHE A 31 4.623 -5.902 10.003 1.00 0.00 C ATOM 489 CE1 PHE A 31 5.271 -3.251 9.601 1.00 0.00 C ATOM 490 CE2 PHE A 31 3.638 -4.934 10.067 1.00 0.00 C ATOM 491 CZ PHE A 31 3.963 -3.606 9.867 1.00 0.00 C ATOM 0 H PHE A 31 5.278 -7.575 8.079 1.00 0.00 H new ATOM 0 HA PHE A 31 7.881 -6.306 7.729 1.00 0.00 H new ATOM 0 HB2 PHE A 31 6.695 -7.472 10.263 1.00 0.00 H new ATOM 0 HB3 PHE A 31 7.919 -6.226 10.117 1.00 0.00 H new ATOM 0 HD1 PHE A 31 7.272 -3.939 9.331 1.00 0.00 H new ATOM 0 HD2 PHE A 31 4.364 -6.938 10.162 1.00 0.00 H new ATOM 0 HE1 PHE A 31 5.528 -2.214 9.442 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.616 -5.215 10.273 1.00 0.00 H new ATOM 0 HZ PHE A 31 3.196 -2.847 9.919 1.00 0.00 H new ATOM 501 N ASP A 32 9.136 -8.432 7.397 1.00 0.00 N ATOM 502 CA ASP A 32 10.011 -9.597 7.328 1.00 0.00 C ATOM 503 C ASP A 32 9.203 -10.871 7.104 1.00 0.00 C ATOM 504 O ASP A 32 9.035 -11.680 8.016 1.00 0.00 O ATOM 505 CB ASP A 32 10.834 -9.719 8.612 1.00 0.00 C ATOM 506 CG ASP A 32 12.064 -10.588 8.431 1.00 0.00 C ATOM 507 OD1 ASP A 32 12.734 -10.457 7.386 1.00 0.00 O ATOM 508 OD2 ASP A 32 12.355 -11.398 9.336 1.00 0.00 O ATOM 0 H ASP A 32 9.352 -7.702 6.719 1.00 0.00 H new ATOM 0 HA ASP A 32 10.687 -9.464 6.483 1.00 0.00 H new ATOM 0 HB2 ASP A 32 11.140 -8.725 8.940 1.00 0.00 H new ATOM 0 HB3 ASP A 32 10.210 -10.137 9.402 1.00 0.00 H new ATOM 513 N ASN A 33 8.705 -11.042 5.884 1.00 0.00 N ATOM 514 CA ASN A 33 7.912 -12.217 5.540 1.00 0.00 C ATOM 515 C ASN A 33 7.498 -12.183 4.072 1.00 0.00 C ATOM 516 O ASN A 33 7.648 -13.170 3.350 1.00 0.00 O ATOM 517 CB ASN A 33 6.670 -12.299 6.430 1.00 0.00 C ATOM 518 CG ASN A 33 6.404 -13.708 6.923 1.00 0.00 C ATOM 519 OD1 ASN A 33 5.876 -14.544 6.188 1.00 0.00 O ATOM 520 ND2 ASN A 33 6.768 -13.977 8.171 1.00 0.00 N ATOM 0 H ASN A 33 8.836 -10.382 5.117 1.00 0.00 H new ATOM 0 HA ASN A 33 8.528 -13.101 5.705 1.00 0.00 H new ATOM 0 HB2 ASN A 33 6.795 -11.635 7.286 1.00 0.00 H new ATOM 0 HB3 ASN A 33 5.803 -11.942 5.874 1.00 0.00 H new ATOM 0 HD21 ASN A 33 6.614 -14.908 8.558 1.00 0.00 H new ATOM 0 HD22 ASN A 33 7.202 -13.253 8.743 1.00 0.00 H new ATOM 527 N LYS A 34 6.977 -11.041 3.636 1.00 0.00 N ATOM 528 CA LYS A 34 6.542 -10.877 2.254 1.00 0.00 C ATOM 529 C LYS A 34 6.535 -9.404 1.859 1.00 0.00 C ATOM 530 O LYS A 34 5.498 -8.856 1.482 1.00 0.00 O ATOM 531 CB LYS A 34 5.147 -11.474 2.062 1.00 0.00 C ATOM 532 CG LYS A 34 5.153 -12.977 1.843 1.00 0.00 C ATOM 533 CD LYS A 34 4.679 -13.723 3.079 1.00 0.00 C ATOM 534 CE LYS A 34 3.880 -14.964 2.710 1.00 0.00 C ATOM 535 NZ LYS A 34 3.726 -15.889 3.867 1.00 0.00 N ATOM 0 H LYS A 34 6.846 -10.215 4.220 1.00 0.00 H new ATOM 0 HA LYS A 34 7.247 -11.405 1.612 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.540 -11.245 2.938 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.669 -10.993 1.208 1.00 0.00 H new ATOM 0 HG2 LYS A 34 4.510 -13.225 0.998 1.00 0.00 H new ATOM 0 HG3 LYS A 34 6.160 -13.304 1.584 1.00 0.00 H new ATOM 0 HD2 LYS A 34 5.539 -14.010 3.684 1.00 0.00 H new ATOM 0 HD3 LYS A 34 4.065 -13.062 3.691 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.895 -14.668 2.348 1.00 0.00 H new ATOM 0 HE3 LYS A 34 4.376 -15.486 1.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 3.176 -16.722 3.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 4.665 -16.192 4.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 3.230 -15.400 4.639 1.00 0.00 H new ATOM 549 N LYS A 35 7.699 -8.767 1.943 1.00 0.00 N ATOM 550 CA LYS A 35 7.828 -7.358 1.592 1.00 0.00 C ATOM 551 C LYS A 35 7.911 -7.181 0.078 1.00 0.00 C ATOM 552 O LYS A 35 8.754 -7.788 -0.581 1.00 0.00 O ATOM 553 CB LYS A 35 9.069 -6.757 2.255 1.00 0.00 C ATOM 554 CG LYS A 35 8.748 -5.739 3.335 1.00 0.00 C ATOM 555 CD LYS A 35 9.601 -4.489 3.194 1.00 0.00 C ATOM 556 CE LYS A 35 9.981 -3.916 4.551 1.00 0.00 C ATOM 557 NZ LYS A 35 11.412 -4.163 4.877 1.00 0.00 N ATOM 0 H LYS A 35 8.567 -9.205 2.251 1.00 0.00 H new ATOM 0 HA LYS A 35 6.942 -6.836 1.954 1.00 0.00 H new ATOM 0 HB2 LYS A 35 9.664 -7.560 2.690 1.00 0.00 H new ATOM 0 HB3 LYS A 35 9.685 -6.282 1.491 1.00 0.00 H new ATOM 0 HG2 LYS A 35 7.693 -5.469 3.280 1.00 0.00 H new ATOM 0 HG3 LYS A 35 8.912 -6.184 4.316 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.505 -4.726 2.632 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.056 -3.739 2.621 1.00 0.00 H new ATOM 0 HE2 LYS A 35 9.787 -2.843 4.559 1.00 0.00 H new ATOM 0 HE3 LYS A 35 9.351 -4.360 5.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 11.631 -3.757 5.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 11.592 -5.187 4.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 12.014 -3.718 4.156 1.00 0.00 H new ATOM 571 N CYS A 36 7.033 -6.344 -0.463 1.00 0.00 N ATOM 572 CA CYS A 36 7.007 -6.087 -1.898 1.00 0.00 C ATOM 573 C CYS A 36 8.383 -5.655 -2.397 1.00 0.00 C ATOM 574 O CYS A 36 9.076 -4.875 -1.743 1.00 0.00 O ATOM 575 CB CYS A 36 5.971 -5.010 -2.226 1.00 0.00 C ATOM 576 SG CYS A 36 4.438 -5.653 -2.936 1.00 0.00 S ATOM 0 H CYS A 36 6.330 -5.832 0.070 1.00 0.00 H new ATOM 0 HA CYS A 36 6.730 -7.012 -2.403 1.00 0.00 H new ATOM 0 HB2 CYS A 36 5.734 -4.459 -1.316 1.00 0.00 H new ATOM 0 HB3 CYS A 36 6.411 -4.298 -2.924 1.00 0.00 H new ATOM 0 HG CYS A 36 3.932 -4.771 -3.746 1.00 0.00 H new ATOM 582 N THR A 37 8.773 -6.169 -3.560 1.00 0.00 N ATOM 583 CA THR A 37 10.066 -5.839 -4.146 1.00 0.00 C ATOM 584 C THR A 37 9.935 -5.538 -5.634 1.00 0.00 C ATOM 585 O THR A 37 10.536 -6.213 -6.470 1.00 0.00 O ATOM 586 CB THR A 37 11.078 -6.984 -3.952 1.00 0.00 C ATOM 587 OG1 THR A 37 12.296 -6.682 -4.643 1.00 0.00 O ATOM 588 CG2 THR A 37 10.512 -8.299 -4.464 1.00 0.00 C ATOM 0 H THR A 37 8.211 -6.815 -4.114 1.00 0.00 H new ATOM 0 HA THR A 37 10.430 -4.950 -3.630 1.00 0.00 H new ATOM 0 HB THR A 37 11.280 -7.085 -2.886 1.00 0.00 H new ATOM 0 HG1 THR A 37 12.107 -6.543 -5.594 1.00 0.00 H new ATOM 0 HG21 THR A 37 11.245 -9.092 -4.316 1.00 0.00 H new ATOM 0 HG22 THR A 37 9.600 -8.540 -3.917 1.00 0.00 H new ATOM 0 HG23 THR A 37 10.285 -8.208 -5.526 1.00 0.00 H new ATOM 596 N LYS A 38 9.146 -4.520 -5.960 1.00 0.00 N ATOM 597 CA LYS A 38 8.937 -4.126 -7.348 1.00 0.00 C ATOM 598 C LYS A 38 8.406 -2.699 -7.436 1.00 0.00 C ATOM 599 O LYS A 38 7.281 -2.418 -7.020 1.00 0.00 O ATOM 600 CB LYS A 38 7.960 -5.088 -8.030 1.00 0.00 C ATOM 601 CG LYS A 38 8.483 -5.659 -9.337 1.00 0.00 C ATOM 602 CD LYS A 38 8.092 -4.790 -10.521 1.00 0.00 C ATOM 603 CE LYS A 38 8.850 -5.188 -11.778 1.00 0.00 C ATOM 604 NZ LYS A 38 7.964 -5.219 -12.974 1.00 0.00 N ATOM 0 H LYS A 38 8.640 -3.952 -5.280 1.00 0.00 H new ATOM 0 HA LYS A 38 9.898 -4.168 -7.860 1.00 0.00 H new ATOM 0 HB2 LYS A 38 7.735 -5.909 -7.349 1.00 0.00 H new ATOM 0 HB3 LYS A 38 7.022 -4.566 -8.220 1.00 0.00 H new ATOM 0 HG2 LYS A 38 9.569 -5.744 -9.290 1.00 0.00 H new ATOM 0 HG3 LYS A 38 8.090 -6.666 -9.478 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.020 -4.876 -10.699 1.00 0.00 H new ATOM 0 HD3 LYS A 38 8.294 -3.744 -10.289 1.00 0.00 H new ATOM 0 HE2 LYS A 38 9.665 -4.485 -11.948 1.00 0.00 H new ATOM 0 HE3 LYS A 38 9.301 -6.170 -11.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 8.518 -5.495 -13.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 7.200 -5.908 -12.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.554 -4.276 -13.127 1.00 0.00 H new ATOM 618 N ASP A 39 9.221 -1.802 -7.979 1.00 0.00 N ATOM 619 CA ASP A 39 8.831 -0.404 -8.123 1.00 0.00 C ATOM 620 C ASP A 39 7.455 -0.287 -8.770 1.00 0.00 C ATOM 621 O ASP A 39 7.203 -0.867 -9.826 1.00 0.00 O ATOM 622 CB ASP A 39 9.867 0.352 -8.957 1.00 0.00 C ATOM 623 CG ASP A 39 10.008 1.800 -8.530 1.00 0.00 C ATOM 624 OD1 ASP A 39 9.125 2.611 -8.879 1.00 0.00 O ATOM 625 OD2 ASP A 39 11.003 2.123 -7.847 1.00 0.00 O ATOM 0 H ASP A 39 10.155 -2.017 -8.327 1.00 0.00 H new ATOM 0 HA ASP A 39 8.783 0.039 -7.128 1.00 0.00 H new ATOM 0 HB2 ASP A 39 10.833 -0.145 -8.869 1.00 0.00 H new ATOM 0 HB3 ASP A 39 9.582 0.312 -10.008 1.00 0.00 H new ATOM 630 N ASN A 40 6.567 0.466 -8.129 1.00 0.00 N ATOM 631 CA ASN A 40 5.216 0.658 -8.642 1.00 0.00 C ATOM 632 C ASN A 40 4.461 -0.667 -8.697 1.00 0.00 C ATOM 633 O ASN A 40 3.710 -0.928 -9.635 1.00 0.00 O ATOM 634 CB ASN A 40 5.260 1.289 -10.034 1.00 0.00 C ATOM 635 CG ASN A 40 5.332 2.803 -9.981 1.00 0.00 C ATOM 636 OD1 ASN A 40 4.624 3.496 -10.712 1.00 0.00 O ATOM 637 ND2 ASN A 40 6.191 3.324 -9.111 1.00 0.00 N ATOM 0 H ASN A 40 6.759 0.953 -7.254 1.00 0.00 H new ATOM 0 HA ASN A 40 4.690 1.329 -7.963 1.00 0.00 H new ATOM 0 HB2 ASN A 40 6.124 0.906 -10.576 1.00 0.00 H new ATOM 0 HB3 ASN A 40 4.374 0.990 -10.594 1.00 0.00 H new ATOM 0 HD21 ASN A 40 6.283 4.337 -9.029 1.00 0.00 H new ATOM 0 HD22 ASN A 40 6.758 2.711 -8.525 1.00 0.00 H new ATOM 644 N ASN A 41 4.668 -1.501 -7.683 1.00 0.00 N ATOM 645 CA ASN A 41 4.008 -2.800 -7.614 1.00 0.00 C ATOM 646 C ASN A 41 2.491 -2.639 -7.585 1.00 0.00 C ATOM 647 O ASN A 41 1.967 -1.546 -7.806 1.00 0.00 O ATOM 648 CB ASN A 41 4.474 -3.569 -6.376 1.00 0.00 C ATOM 649 CG ASN A 41 5.085 -4.912 -6.726 1.00 0.00 C ATOM 650 OD1 ASN A 41 4.817 -5.471 -7.790 1.00 0.00 O ATOM 651 ND2 ASN A 41 5.911 -5.437 -5.829 1.00 0.00 N ATOM 0 H ASN A 41 5.287 -1.301 -6.898 1.00 0.00 H new ATOM 0 HA ASN A 41 4.279 -3.364 -8.506 1.00 0.00 H new ATOM 0 HB2 ASN A 41 5.206 -2.970 -5.834 1.00 0.00 H new ATOM 0 HB3 ASN A 41 3.628 -3.721 -5.706 1.00 0.00 H new ATOM 0 HD21 ASN A 41 6.352 -6.339 -6.008 1.00 0.00 H new ATOM 0 HD22 ASN A 41 6.104 -4.938 -4.960 1.00 0.00 H new ATOM 658 N LYS A 42 1.789 -3.734 -7.312 1.00 0.00 N ATOM 659 CA LYS A 42 0.333 -3.715 -7.250 1.00 0.00 C ATOM 660 C LYS A 42 -0.154 -3.882 -5.814 1.00 0.00 C ATOM 661 O LYS A 42 -0.064 -4.968 -5.241 1.00 0.00 O ATOM 662 CB LYS A 42 -0.248 -4.824 -8.129 1.00 0.00 C ATOM 663 CG LYS A 42 -1.436 -4.379 -8.964 1.00 0.00 C ATOM 664 CD LYS A 42 -1.473 -5.090 -10.307 1.00 0.00 C ATOM 665 CE LYS A 42 -2.647 -6.054 -10.394 1.00 0.00 C ATOM 666 NZ LYS A 42 -2.672 -6.780 -11.694 1.00 0.00 N ATOM 0 H LYS A 42 2.206 -4.647 -7.130 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.009 -2.748 -7.620 1.00 0.00 H new ATOM 0 HB2 LYS A 42 0.532 -5.197 -8.792 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -0.552 -5.657 -7.495 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -2.359 -4.579 -8.420 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -1.387 -3.302 -9.123 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -1.545 -4.354 -11.108 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -0.541 -5.635 -10.457 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -2.588 -6.773 -9.577 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -3.579 -5.504 -10.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -3.486 -7.427 -11.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -2.754 -6.095 -12.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -1.793 -7.326 -11.804 1.00 0.00 H new ATOM 680 N CYS A 43 -0.669 -2.800 -5.240 1.00 0.00 N ATOM 681 CA CYS A 43 -1.171 -2.828 -3.871 1.00 0.00 C ATOM 682 C CYS A 43 -2.560 -2.204 -3.789 1.00 0.00 C ATOM 683 O CYS A 43 -2.930 -1.372 -4.618 1.00 0.00 O ATOM 684 CB CYS A 43 -0.210 -2.087 -2.939 1.00 0.00 C ATOM 685 SG CYS A 43 -0.353 -0.287 -3.010 1.00 0.00 S ATOM 0 H CYS A 43 -0.750 -1.894 -5.701 1.00 0.00 H new ATOM 0 HA CYS A 43 -1.241 -3.869 -3.556 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -0.389 -2.415 -1.915 1.00 0.00 H new ATOM 0 HB3 CYS A 43 0.812 -2.370 -3.190 1.00 0.00 H new ATOM 0 HG CYS A 43 0.764 0.253 -2.621 1.00 0.00 H new ATOM 691 N THR A 44 -3.329 -2.613 -2.783 1.00 0.00 N ATOM 692 CA THR A 44 -4.678 -2.098 -2.594 1.00 0.00 C ATOM 693 C THR A 44 -5.041 -2.036 -1.114 1.00 0.00 C ATOM 694 O THR A 44 -5.074 -3.059 -0.430 1.00 0.00 O ATOM 695 CB THR A 44 -5.719 -2.963 -3.330 1.00 0.00 C ATOM 696 OG1 THR A 44 -5.567 -4.337 -2.956 1.00 0.00 O ATOM 697 CG2 THR A 44 -5.570 -2.823 -4.838 1.00 0.00 C ATOM 0 H THR A 44 -3.039 -3.300 -2.087 1.00 0.00 H new ATOM 0 HA THR A 44 -4.693 -1.091 -3.012 1.00 0.00 H new ATOM 0 HB THR A 44 -6.713 -2.617 -3.045 1.00 0.00 H new ATOM 0 HG1 THR A 44 -6.233 -4.880 -3.427 1.00 0.00 H new ATOM 0 HG21 THR A 44 -6.315 -3.443 -5.336 1.00 0.00 H new ATOM 0 HG22 THR A 44 -5.715 -1.781 -5.123 1.00 0.00 H new ATOM 0 HG23 THR A 44 -4.572 -3.145 -5.136 1.00 0.00 H new ATOM 705 N VAL A 45 -5.313 -0.830 -0.626 1.00 0.00 N ATOM 706 CA VAL A 45 -5.675 -0.636 0.773 1.00 0.00 C ATOM 707 C VAL A 45 -7.187 -0.674 0.959 1.00 0.00 C ATOM 708 O VAL A 45 -7.940 -0.184 0.116 1.00 0.00 O ATOM 709 CB VAL A 45 -5.136 0.702 1.311 1.00 0.00 C ATOM 710 CG1 VAL A 45 -5.702 0.989 2.693 1.00 0.00 C ATOM 711 CG2 VAL A 45 -3.615 0.691 1.340 1.00 0.00 C ATOM 0 H VAL A 45 -5.290 0.027 -1.179 1.00 0.00 H new ATOM 0 HA VAL A 45 -5.222 -1.454 1.334 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.458 1.499 0.641 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.310 1.939 3.057 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -6.789 1.043 2.637 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.413 0.191 3.377 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.251 1.645 1.723 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.269 -0.115 1.987 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.233 0.536 0.331 1.00 0.00 H new ATOM 721 N ASP A 46 -7.627 -1.258 2.068 1.00 0.00 N ATOM 722 CA ASP A 46 -9.051 -1.359 2.367 1.00 0.00 C ATOM 723 C ASP A 46 -9.419 -0.482 3.559 1.00 0.00 C ATOM 724 O ASP A 46 -8.816 -0.584 4.629 1.00 0.00 O ATOM 725 CB ASP A 46 -9.433 -2.813 2.649 1.00 0.00 C ATOM 726 CG ASP A 46 -10.919 -3.064 2.482 1.00 0.00 C ATOM 727 OD1 ASP A 46 -11.711 -2.135 2.748 1.00 0.00 O ATOM 728 OD2 ASP A 46 -11.289 -4.188 2.086 1.00 0.00 O ATOM 0 H ASP A 46 -7.018 -1.669 2.775 1.00 0.00 H new ATOM 0 HA ASP A 46 -9.606 -1.009 1.497 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -8.879 -3.468 1.977 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -9.135 -3.073 3.665 1.00 0.00 H new ATOM 733 N THR A 47 -10.414 0.380 3.371 1.00 0.00 N ATOM 734 CA THR A 47 -10.861 1.276 4.429 1.00 0.00 C ATOM 735 C THR A 47 -11.851 0.580 5.356 1.00 0.00 C ATOM 736 O THR A 47 -12.192 1.100 6.419 1.00 0.00 O ATOM 737 CB THR A 47 -11.518 2.543 3.852 1.00 0.00 C ATOM 738 OG1 THR A 47 -11.734 2.386 2.445 1.00 0.00 O ATOM 739 CG2 THR A 47 -10.649 3.766 4.103 1.00 0.00 C ATOM 0 H THR A 47 -10.926 0.476 2.494 1.00 0.00 H new ATOM 0 HA THR A 47 -9.975 1.562 4.996 1.00 0.00 H new ATOM 0 HB THR A 47 -12.475 2.688 4.352 1.00 0.00 H new ATOM 0 HG1 THR A 47 -10.877 2.445 1.974 1.00 0.00 H new ATOM 0 HG21 THR A 47 -11.134 4.649 3.686 1.00 0.00 H new ATOM 0 HG22 THR A 47 -10.511 3.900 5.176 1.00 0.00 H new ATOM 0 HG23 THR A 47 -9.678 3.627 3.627 1.00 0.00 H new ATOM 747 N TYR A 48 -12.310 -0.598 4.947 1.00 0.00 N ATOM 748 CA TYR A 48 -13.264 -1.363 5.740 1.00 0.00 C ATOM 749 C TYR A 48 -12.775 -1.521 7.177 1.00 0.00 C ATOM 750 O TYR A 48 -13.459 -1.133 8.123 1.00 0.00 O ATOM 751 CB TYR A 48 -13.490 -2.740 5.113 1.00 0.00 C ATOM 752 CG TYR A 48 -14.178 -3.721 6.037 1.00 0.00 C ATOM 753 CD1 TYR A 48 -15.244 -3.323 6.835 1.00 0.00 C ATOM 754 CD2 TYR A 48 -13.761 -5.044 6.112 1.00 0.00 C ATOM 755 CE1 TYR A 48 -15.874 -4.216 7.680 1.00 0.00 C ATOM 756 CE2 TYR A 48 -14.386 -5.943 6.955 1.00 0.00 C ATOM 757 CZ TYR A 48 -15.441 -5.524 7.737 1.00 0.00 C ATOM 758 OH TYR A 48 -16.067 -6.416 8.577 1.00 0.00 O ATOM 0 H TYR A 48 -12.037 -1.043 4.071 1.00 0.00 H new ATOM 0 HA TYR A 48 -14.207 -0.817 5.754 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -14.088 -2.625 4.209 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -12.529 -3.154 4.809 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -15.585 -2.299 6.794 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -12.934 -5.376 5.501 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -16.702 -3.891 8.293 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -14.050 -6.968 7.001 1.00 0.00 H new ATOM 0 HH TYR A 48 -15.641 -7.295 8.497 1.00 0.00 H new ATOM 768 N ASN A 49 -11.585 -2.092 7.331 1.00 0.00 N ATOM 769 CA ASN A 49 -11.003 -2.302 8.652 1.00 0.00 C ATOM 770 C ASN A 49 -9.482 -2.389 8.568 1.00 0.00 C ATOM 771 O ASN A 49 -8.858 -3.198 9.253 1.00 0.00 O ATOM 772 CB ASN A 49 -11.564 -3.578 9.283 1.00 0.00 C ATOM 773 CG ASN A 49 -11.402 -3.596 10.791 1.00 0.00 C ATOM 774 OD1 ASN A 49 -11.954 -2.750 11.495 1.00 0.00 O ATOM 775 ND2 ASN A 49 -10.645 -4.563 11.293 1.00 0.00 N ATOM 0 H ASN A 49 -11.005 -2.418 6.558 1.00 0.00 H new ATOM 0 HA ASN A 49 -11.267 -1.449 9.278 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -12.621 -3.670 9.033 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -11.059 -4.444 8.856 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -10.501 -4.627 12.301 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -10.207 -5.243 10.671 1.00 0.00 H new ATOM 782 N ASN A 50 -8.893 -1.549 7.724 1.00 0.00 N ATOM 783 CA ASN A 50 -7.445 -1.530 7.551 1.00 0.00 C ATOM 784 C ASN A 50 -6.938 -2.882 7.058 1.00 0.00 C ATOM 785 O ASN A 50 -6.269 -3.610 7.791 1.00 0.00 O ATOM 786 CB ASN A 50 -6.757 -1.164 8.868 1.00 0.00 C ATOM 787 CG ASN A 50 -6.539 0.330 9.011 1.00 0.00 C ATOM 788 OD1 ASN A 50 -6.915 0.929 10.019 1.00 0.00 O ATOM 789 ND2 ASN A 50 -5.931 0.939 8.001 1.00 0.00 N ATOM 0 H ASN A 50 -9.396 -0.873 7.149 1.00 0.00 H new ATOM 0 HA ASN A 50 -7.204 -0.776 6.802 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -7.361 -1.522 9.702 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -5.797 -1.676 8.927 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -5.758 1.943 8.041 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -5.636 0.403 7.185 1.00 0.00 H new ATOM 796 N ALA A 51 -7.262 -3.211 5.812 1.00 0.00 N ATOM 797 CA ALA A 51 -6.838 -4.473 5.221 1.00 0.00 C ATOM 798 C ALA A 51 -6.243 -4.258 3.833 1.00 0.00 C ATOM 799 O ALA A 51 -6.932 -4.403 2.822 1.00 0.00 O ATOM 800 CB ALA A 51 -8.008 -5.443 5.151 1.00 0.00 C ATOM 0 H ALA A 51 -7.817 -2.620 5.193 1.00 0.00 H new ATOM 0 HA ALA A 51 -6.063 -4.901 5.857 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -7.676 -6.382 4.707 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -8.386 -5.630 6.156 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -8.801 -5.013 4.539 1.00 0.00 H new ATOM 806 N VAL A 52 -4.962 -3.908 3.790 1.00 0.00 N ATOM 807 CA VAL A 52 -4.276 -3.672 2.526 1.00 0.00 C ATOM 808 C VAL A 52 -3.648 -4.956 1.992 1.00 0.00 C ATOM 809 O VAL A 52 -3.190 -5.800 2.762 1.00 0.00 O ATOM 810 CB VAL A 52 -3.178 -2.602 2.674 1.00 0.00 C ATOM 811 CG1 VAL A 52 -2.120 -3.056 3.668 1.00 0.00 C ATOM 812 CG2 VAL A 52 -2.553 -2.289 1.323 1.00 0.00 C ATOM 0 H VAL A 52 -4.378 -3.782 4.617 1.00 0.00 H new ATOM 0 HA VAL A 52 -5.028 -3.317 1.821 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.634 -1.689 3.057 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.353 -2.287 3.759 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.583 -3.224 4.640 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.665 -3.983 3.318 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -1.779 -1.531 1.447 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.111 -3.195 0.908 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -3.321 -1.917 0.645 1.00 0.00 H new ATOM 822 N ASP A 53 -3.632 -5.095 0.672 1.00 0.00 N ATOM 823 CA ASP A 53 -3.059 -6.275 0.035 1.00 0.00 C ATOM 824 C ASP A 53 -1.646 -5.994 -0.462 1.00 0.00 C ATOM 825 O ASP A 53 -1.100 -4.913 -0.233 1.00 0.00 O ATOM 826 CB ASP A 53 -3.941 -6.730 -1.130 1.00 0.00 C ATOM 827 CG ASP A 53 -5.202 -7.428 -0.663 1.00 0.00 C ATOM 828 OD1 ASP A 53 -5.366 -7.601 0.563 1.00 0.00 O ATOM 829 OD2 ASP A 53 -6.028 -7.803 -1.522 1.00 0.00 O ATOM 0 H ASP A 53 -4.009 -4.406 0.022 1.00 0.00 H new ATOM 0 HA ASP A 53 -3.011 -7.071 0.778 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -4.211 -5.866 -1.737 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.372 -7.404 -1.771 1.00 0.00 H new ATOM 834 N CYS A 54 -1.056 -6.971 -1.141 1.00 0.00 N ATOM 835 CA CYS A 54 0.297 -6.829 -1.668 1.00 0.00 C ATOM 836 C CYS A 54 0.461 -7.617 -2.964 1.00 0.00 C ATOM 837 O CYS A 54 -0.213 -8.625 -3.178 1.00 0.00 O ATOM 838 CB CYS A 54 1.321 -7.301 -0.636 1.00 0.00 C ATOM 839 SG CYS A 54 1.413 -9.099 -0.457 1.00 0.00 S ATOM 0 H CYS A 54 -1.493 -7.871 -1.340 1.00 0.00 H new ATOM 0 HA CYS A 54 0.468 -5.774 -1.882 1.00 0.00 H new ATOM 0 HB2 CYS A 54 2.304 -6.924 -0.917 1.00 0.00 H new ATOM 0 HB3 CYS A 54 1.075 -6.862 0.331 1.00 0.00 H new ATOM 0 HG CYS A 54 0.666 -9.664 -1.359 1.00 0.00 H new ATOM 845 N ASP A 55 1.358 -7.149 -3.824 1.00 0.00 N ATOM 846 CA ASP A 55 1.611 -7.810 -5.099 1.00 0.00 C ATOM 847 C ASP A 55 2.167 -9.215 -4.884 1.00 0.00 C ATOM 848 O ASP A 55 1.640 -10.191 -5.420 1.00 0.00 O ATOM 849 CB ASP A 55 2.587 -6.986 -5.941 1.00 0.00 C ATOM 850 CG ASP A 55 2.509 -7.326 -7.417 1.00 0.00 C ATOM 851 OD1 ASP A 55 1.413 -7.190 -8.000 1.00 0.00 O ATOM 852 OD2 ASP A 55 3.544 -7.726 -7.988 1.00 0.00 O ATOM 0 H ASP A 55 1.922 -6.315 -3.662 1.00 0.00 H new ATOM 0 HA ASP A 55 0.663 -7.892 -5.631 1.00 0.00 H new ATOM 0 HB2 ASP A 55 2.375 -5.926 -5.804 1.00 0.00 H new ATOM 0 HB3 ASP A 55 3.603 -7.157 -5.585 1.00 0.00 H new TER 857 ASP A 55