USER MOD reduce.3.24.130724 H: found=0, std=0, add=418, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 419 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 7 CYS SG : rot -146:sc= 1.91 USER MOD Set 1.2: A 12 ASN : amide:sc= -0.635 K(o=1.8,f=-0.48) USER MOD Set 1.3: A 14 CYS SG : rot -108:sc= 0.166 USER MOD Set 1.4: A 28 CYS SG : rot 128:sc= -0.161 USER MOD Set 1.5: A 43 CYS SG : rot 112:sc= 0.548 USER MOD Set 2.1: A 18 ASN :FLIP amide:sc= -0.024 F(o=-1.4,f=0.16) USER MOD Set 2.2: A 24 THR OG1 : rot 154:sc= 0.189 USER MOD Single : A 2 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.171) 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 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 83:sc= 1.24 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ -164:sc=-0.00848 (180deg=-0.0868) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 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 30 LYS NZ :NH3+ -159:sc= 0.75 (180deg=0.42) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=-0.053) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 CYS SG : rot 70:sc= -0.379 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0192) USER MOD Single : A 40 ASN : amide:sc= -1.17 K(o=-1.2,f=-3.4!) USER MOD Single : A 41 ASN : amide:sc= -4.08 K(o=-4.1,f=-6.6!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.14 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -2.13! C(o=-2.1!,f=-8.2!) USER MOD Single : A 50 ASN : amide:sc= -0.177 X(o=-0.18,f=0) USER MOD Single : A 54 CYS SG : rot 18:sc= -0.0566 USER MOD ----------------------------------------------------------------- ATOM 11 N LYS A 2 -13.276 2.168 -1.349 1.00 0.00 N ATOM 12 CA LYS A 2 -12.049 1.410 -1.560 1.00 0.00 C ATOM 13 C LYS A 2 -10.999 2.261 -2.267 1.00 0.00 C ATOM 14 O LYS A 2 -11.302 3.338 -2.781 1.00 0.00 O ATOM 15 CB LYS A 2 -12.338 0.151 -2.381 1.00 0.00 C ATOM 16 CG LYS A 2 -12.651 -1.069 -1.533 1.00 0.00 C ATOM 17 CD LYS A 2 -14.061 -1.576 -1.784 1.00 0.00 C ATOM 18 CE LYS A 2 -14.121 -2.470 -3.013 1.00 0.00 C ATOM 19 NZ LYS A 2 -14.575 -1.723 -4.220 1.00 0.00 N ATOM 0 HA LYS A 2 -11.659 1.119 -0.585 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -13.179 0.346 -3.046 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -11.476 -0.067 -3.012 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -11.934 -1.860 -1.754 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -12.536 -0.819 -0.478 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -14.410 -2.130 -0.913 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -14.735 -0.730 -1.915 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -13.136 -2.898 -3.200 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -14.799 -3.302 -2.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -14.814 -2.397 -4.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -15.414 -1.157 -3.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -13.814 -1.094 -4.546 1.00 0.00 H new ATOM 33 N TYR A 3 -9.764 1.771 -2.289 1.00 0.00 N ATOM 34 CA TYR A 3 -8.669 2.487 -2.932 1.00 0.00 C ATOM 35 C TYR A 3 -7.684 1.515 -3.573 1.00 0.00 C ATOM 36 O TYR A 3 -7.581 0.357 -3.165 1.00 0.00 O ATOM 37 CB TYR A 3 -7.944 3.371 -1.917 1.00 0.00 C ATOM 38 CG TYR A 3 -8.876 4.128 -0.998 1.00 0.00 C ATOM 39 CD1 TYR A 3 -9.401 5.359 -1.369 1.00 0.00 C ATOM 40 CD2 TYR A 3 -9.231 3.612 0.242 1.00 0.00 C ATOM 41 CE1 TYR A 3 -10.252 6.055 -0.533 1.00 0.00 C ATOM 42 CE2 TYR A 3 -10.083 4.300 1.085 1.00 0.00 C ATOM 43 CZ TYR A 3 -10.591 5.521 0.693 1.00 0.00 C ATOM 44 OH TYR A 3 -11.439 6.209 1.530 1.00 0.00 O ATOM 0 H TYR A 3 -9.497 0.881 -1.869 1.00 0.00 H new ATOM 0 HA TYR A 3 -9.091 3.117 -3.715 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -7.280 2.750 -1.316 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -7.316 4.084 -2.452 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -9.139 5.780 -2.329 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -8.834 2.657 0.553 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -10.650 7.012 -0.837 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -10.350 3.884 2.045 1.00 0.00 H new ATOM 0 HH TYR A 3 -11.576 5.694 2.352 1.00 0.00 H new ATOM 54 N THR A 4 -6.958 1.993 -4.578 1.00 0.00 N ATOM 55 CA THR A 4 -5.981 1.168 -5.277 1.00 0.00 C ATOM 56 C THR A 4 -4.672 1.922 -5.486 1.00 0.00 C ATOM 57 O THR A 4 -4.672 3.132 -5.704 1.00 0.00 O ATOM 58 CB THR A 4 -6.514 0.701 -6.644 1.00 0.00 C ATOM 59 OG1 THR A 4 -7.912 0.404 -6.549 1.00 0.00 O ATOM 60 CG2 THR A 4 -5.761 -0.531 -7.127 1.00 0.00 C ATOM 0 H THR A 4 -7.028 2.949 -4.927 1.00 0.00 H new ATOM 0 HA THR A 4 -5.799 0.296 -4.649 1.00 0.00 H new ATOM 0 HB THR A 4 -6.361 1.506 -7.363 1.00 0.00 H new ATOM 0 HG1 THR A 4 -8.244 0.109 -7.423 1.00 0.00 H new ATOM 0 HG21 THR A 4 -6.155 -0.842 -8.094 1.00 0.00 H new ATOM 0 HG22 THR A 4 -4.702 -0.294 -7.226 1.00 0.00 H new ATOM 0 HG23 THR A 4 -5.886 -1.340 -6.407 1.00 0.00 H new ATOM 68 N GLY A 5 -3.559 1.199 -5.416 1.00 0.00 N ATOM 69 CA GLY A 5 -2.260 1.817 -5.601 1.00 0.00 C ATOM 70 C GLY A 5 -1.155 0.798 -5.800 1.00 0.00 C ATOM 71 O GLY A 5 -1.405 -0.318 -6.255 1.00 0.00 O ATOM 0 H GLY A 5 -3.534 0.196 -5.234 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -2.297 2.481 -6.464 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -2.028 2.435 -4.733 1.00 0.00 H new ATOM 75 N LYS A 6 0.070 1.183 -5.460 1.00 0.00 N ATOM 76 CA LYS A 6 1.218 0.295 -5.604 1.00 0.00 C ATOM 77 C LYS A 6 2.213 0.504 -4.467 1.00 0.00 C ATOM 78 O LYS A 6 2.084 1.443 -3.681 1.00 0.00 O ATOM 79 CB LYS A 6 1.907 0.532 -6.950 1.00 0.00 C ATOM 80 CG LYS A 6 0.987 0.355 -8.145 1.00 0.00 C ATOM 81 CD LYS A 6 0.265 1.647 -8.491 1.00 0.00 C ATOM 82 CE LYS A 6 0.585 2.101 -9.907 1.00 0.00 C ATOM 83 NZ LYS A 6 -0.067 3.399 -10.233 1.00 0.00 N ATOM 0 H LYS A 6 0.294 2.104 -5.083 1.00 0.00 H new ATOM 0 HA LYS A 6 0.858 -0.733 -5.564 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.318 1.541 -6.965 1.00 0.00 H new ATOM 0 HB3 LYS A 6 2.747 -0.156 -7.044 1.00 0.00 H new ATOM 0 HG2 LYS A 6 1.567 0.020 -9.005 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.256 -0.425 -7.930 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -0.811 1.503 -8.388 1.00 0.00 H new ATOM 0 HD3 LYS A 6 0.551 2.426 -7.784 1.00 0.00 H new ATOM 0 HE2 LYS A 6 1.665 2.198 -10.022 1.00 0.00 H new ATOM 0 HE3 LYS A 6 0.256 1.341 -10.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 0.175 3.674 -11.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -1.099 3.300 -10.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 0.266 4.130 -9.573 1.00 0.00 H new ATOM 97 N CYS A 7 3.207 -0.375 -4.387 1.00 0.00 N ATOM 98 CA CYS A 7 4.224 -0.286 -3.347 1.00 0.00 C ATOM 99 C CYS A 7 5.578 0.087 -3.941 1.00 0.00 C ATOM 100 O CYS A 7 5.752 0.101 -5.160 1.00 0.00 O ATOM 101 CB CYS A 7 4.332 -1.613 -2.594 1.00 0.00 C ATOM 102 SG CYS A 7 3.122 -1.808 -1.265 1.00 0.00 S ATOM 0 H CYS A 7 3.329 -1.157 -5.030 1.00 0.00 H new ATOM 0 HA CYS A 7 3.926 0.496 -2.649 1.00 0.00 H new ATOM 0 HB2 CYS A 7 4.212 -2.432 -3.303 1.00 0.00 H new ATOM 0 HB3 CYS A 7 5.334 -1.700 -2.174 1.00 0.00 H new ATOM 0 HG CYS A 7 3.650 -2.494 -0.295 1.00 0.00 H new ATOM 108 N THR A 8 6.538 0.389 -3.072 1.00 0.00 N ATOM 109 CA THR A 8 7.876 0.765 -3.511 1.00 0.00 C ATOM 110 C THR A 8 8.923 -0.208 -2.978 1.00 0.00 C ATOM 111 O THR A 8 8.937 -0.532 -1.791 1.00 0.00 O ATOM 112 CB THR A 8 8.238 2.191 -3.053 1.00 0.00 C ATOM 113 OG1 THR A 8 7.195 2.719 -2.224 1.00 0.00 O ATOM 114 CG2 THR A 8 8.452 3.105 -4.250 1.00 0.00 C ATOM 0 H THR A 8 6.413 0.380 -2.060 1.00 0.00 H new ATOM 0 HA THR A 8 7.872 0.731 -4.600 1.00 0.00 H new ATOM 0 HB THR A 8 9.165 2.142 -2.482 1.00 0.00 H new ATOM 0 HG1 THR A 8 7.311 2.396 -1.306 1.00 0.00 H new ATOM 0 HG21 THR A 8 8.706 4.106 -3.902 1.00 0.00 H new ATOM 0 HG22 THR A 8 9.265 2.716 -4.864 1.00 0.00 H new ATOM 0 HG23 THR A 8 7.538 3.148 -4.843 1.00 0.00 H new ATOM 122 N LYS A 9 9.797 -0.671 -3.864 1.00 0.00 N ATOM 123 CA LYS A 9 10.850 -1.605 -3.484 1.00 0.00 C ATOM 124 C LYS A 9 11.644 -1.076 -2.294 1.00 0.00 C ATOM 125 O LYS A 9 12.092 -1.845 -1.443 1.00 0.00 O ATOM 126 CB LYS A 9 11.789 -1.857 -4.665 1.00 0.00 C ATOM 127 CG LYS A 9 12.204 -0.590 -5.393 1.00 0.00 C ATOM 128 CD LYS A 9 13.715 -0.487 -5.515 1.00 0.00 C ATOM 129 CE LYS A 9 14.249 -1.405 -6.604 1.00 0.00 C ATOM 130 NZ LYS A 9 15.179 -0.692 -7.523 1.00 0.00 N ATOM 0 H LYS A 9 9.797 -0.415 -4.851 1.00 0.00 H new ATOM 0 HA LYS A 9 10.379 -2.545 -3.196 1.00 0.00 H new ATOM 0 HB2 LYS A 9 12.682 -2.369 -4.306 1.00 0.00 H new ATOM 0 HB3 LYS A 9 11.299 -2.528 -5.371 1.00 0.00 H new ATOM 0 HG2 LYS A 9 11.756 -0.577 -6.387 1.00 0.00 H new ATOM 0 HG3 LYS A 9 11.821 0.280 -4.859 1.00 0.00 H new ATOM 0 HD2 LYS A 9 13.994 0.543 -5.737 1.00 0.00 H new ATOM 0 HD3 LYS A 9 14.177 -0.744 -4.562 1.00 0.00 H new ATOM 0 HE2 LYS A 9 14.766 -2.249 -6.147 1.00 0.00 H new ATOM 0 HE3 LYS A 9 13.416 -1.814 -7.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 15.521 -1.351 -8.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 14.679 0.098 -7.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 15.987 -0.324 -6.982 1.00 0.00 H new ATOM 144 N SER A 10 11.814 0.241 -2.240 1.00 0.00 N ATOM 145 CA SER A 10 12.555 0.872 -1.155 1.00 0.00 C ATOM 146 C SER A 10 11.666 1.069 0.069 1.00 0.00 C ATOM 147 O SER A 10 12.150 1.131 1.200 1.00 0.00 O ATOM 148 CB SER A 10 13.120 2.219 -1.612 1.00 0.00 C ATOM 149 OG SER A 10 12.093 3.057 -2.115 1.00 0.00 O ATOM 0 H SER A 10 11.448 0.892 -2.935 1.00 0.00 H new ATOM 0 HA SER A 10 13.379 0.214 -0.880 1.00 0.00 H new ATOM 0 HB2 SER A 10 13.619 2.710 -0.777 1.00 0.00 H new ATOM 0 HB3 SER A 10 13.873 2.058 -2.383 1.00 0.00 H new ATOM 0 HG SER A 10 12.478 3.912 -2.399 1.00 0.00 H new ATOM 155 N LYS A 11 10.362 1.167 -0.165 1.00 0.00 N ATOM 156 CA LYS A 11 9.403 1.355 0.916 1.00 0.00 C ATOM 157 C LYS A 11 8.098 0.623 0.619 1.00 0.00 C ATOM 158 O LYS A 11 7.358 0.997 -0.289 1.00 0.00 O ATOM 159 CB LYS A 11 9.127 2.845 1.128 1.00 0.00 C ATOM 160 CG LYS A 11 9.045 3.247 2.590 1.00 0.00 C ATOM 161 CD LYS A 11 10.213 4.133 2.992 1.00 0.00 C ATOM 162 CE LYS A 11 10.270 4.332 4.498 1.00 0.00 C ATOM 163 NZ LYS A 11 9.548 5.563 4.923 1.00 0.00 N ATOM 0 H LYS A 11 9.945 1.119 -1.095 1.00 0.00 H new ATOM 0 HA LYS A 11 9.834 0.939 1.826 1.00 0.00 H new ATOM 0 HB2 LYS A 11 9.914 3.424 0.644 1.00 0.00 H new ATOM 0 HB3 LYS A 11 8.190 3.106 0.635 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.108 3.774 2.771 1.00 0.00 H new ATOM 0 HG3 LYS A 11 9.034 2.353 3.214 1.00 0.00 H new ATOM 0 HD2 LYS A 11 11.145 3.686 2.648 1.00 0.00 H new ATOM 0 HD3 LYS A 11 10.123 5.101 2.499 1.00 0.00 H new ATOM 0 HE2 LYS A 11 9.834 3.466 4.995 1.00 0.00 H new ATOM 0 HE3 LYS A 11 11.310 4.393 4.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 9.610 5.663 5.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 9.980 6.393 4.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 8.549 5.494 4.641 1.00 0.00 H new ATOM 177 N ASN A 12 7.821 -0.422 1.394 1.00 0.00 N ATOM 178 CA ASN A 12 6.604 -1.206 1.214 1.00 0.00 C ATOM 179 C ASN A 12 5.408 -0.507 1.853 1.00 0.00 C ATOM 180 O ASN A 12 4.923 -0.923 2.904 1.00 0.00 O ATOM 181 CB ASN A 12 6.777 -2.600 1.819 1.00 0.00 C ATOM 182 CG ASN A 12 5.499 -3.415 1.768 1.00 0.00 C ATOM 183 OD1 ASN A 12 4.816 -3.456 0.745 1.00 0.00 O ATOM 184 ND2 ASN A 12 5.169 -4.066 2.878 1.00 0.00 N ATOM 0 H ASN A 12 8.423 -0.745 2.152 1.00 0.00 H new ATOM 0 HA ASN A 12 6.418 -1.302 0.144 1.00 0.00 H new ATOM 0 HB2 ASN A 12 7.565 -3.130 1.284 1.00 0.00 H new ATOM 0 HB3 ASN A 12 7.103 -2.506 2.855 1.00 0.00 H new ATOM 0 HD21 ASN A 12 4.319 -4.629 2.905 1.00 0.00 H new ATOM 0 HD22 ASN A 12 5.766 -4.003 3.703 1.00 0.00 H new ATOM 191 N GLU A 13 4.936 0.556 1.209 1.00 0.00 N ATOM 192 CA GLU A 13 3.797 1.312 1.715 1.00 0.00 C ATOM 193 C GLU A 13 2.822 1.646 0.589 1.00 0.00 C ATOM 194 O GLU A 13 3.217 1.770 -0.571 1.00 0.00 O ATOM 195 CB GLU A 13 4.271 2.600 2.393 1.00 0.00 C ATOM 196 CG GLU A 13 4.727 3.670 1.417 1.00 0.00 C ATOM 197 CD GLU A 13 5.599 4.724 2.071 1.00 0.00 C ATOM 198 OE1 GLU A 13 5.652 4.760 3.318 1.00 0.00 O ATOM 199 OE2 GLU A 13 6.230 5.512 1.335 1.00 0.00 O ATOM 0 H GLU A 13 5.325 0.913 0.336 1.00 0.00 H new ATOM 0 HA GLU A 13 3.280 0.693 2.448 1.00 0.00 H new ATOM 0 HB2 GLU A 13 3.461 2.999 3.003 1.00 0.00 H new ATOM 0 HB3 GLU A 13 5.092 2.363 3.069 1.00 0.00 H new ATOM 0 HG2 GLU A 13 5.279 3.202 0.602 1.00 0.00 H new ATOM 0 HG3 GLU A 13 3.853 4.150 0.975 1.00 0.00 H new ATOM 206 N CYS A 14 1.550 1.791 0.940 1.00 0.00 N ATOM 207 CA CYS A 14 0.517 2.110 -0.040 1.00 0.00 C ATOM 208 C CYS A 14 0.392 3.618 -0.225 1.00 0.00 C ATOM 209 O CYS A 14 -0.158 4.316 0.627 1.00 0.00 O ATOM 210 CB CYS A 14 -0.826 1.522 0.393 1.00 0.00 C ATOM 211 SG CYS A 14 -2.109 1.596 -0.879 1.00 0.00 S ATOM 0 H CYS A 14 1.208 1.693 1.896 1.00 0.00 H new ATOM 0 HA CYS A 14 0.806 1.668 -0.994 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -0.678 0.482 0.685 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -1.175 2.055 1.278 1.00 0.00 H new ATOM 0 HG CYS A 14 -2.995 2.489 -0.551 1.00 0.00 H new ATOM 217 N LYS A 15 0.904 4.117 -1.346 1.00 0.00 N ATOM 218 CA LYS A 15 0.850 5.543 -1.643 1.00 0.00 C ATOM 219 C LYS A 15 -0.450 5.901 -2.358 1.00 0.00 C ATOM 220 O LYS A 15 -0.434 6.380 -3.491 1.00 0.00 O ATOM 221 CB LYS A 15 2.047 5.951 -2.506 1.00 0.00 C ATOM 222 CG LYS A 15 2.202 5.116 -3.764 1.00 0.00 C ATOM 223 CD LYS A 15 2.362 5.990 -4.997 1.00 0.00 C ATOM 224 CE LYS A 15 3.440 5.451 -5.927 1.00 0.00 C ATOM 225 NZ LYS A 15 4.803 5.630 -5.358 1.00 0.00 N ATOM 0 H LYS A 15 1.361 3.554 -2.063 1.00 0.00 H new ATOM 0 HA LYS A 15 0.887 6.087 -0.699 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.942 6.999 -2.786 1.00 0.00 H new ATOM 0 HB3 LYS A 15 2.957 5.870 -1.912 1.00 0.00 H new ATOM 0 HG2 LYS A 15 3.070 4.464 -3.664 1.00 0.00 H new ATOM 0 HG3 LYS A 15 1.331 4.472 -3.884 1.00 0.00 H new ATOM 0 HD2 LYS A 15 1.413 6.045 -5.531 1.00 0.00 H new ATOM 0 HD3 LYS A 15 2.616 7.006 -4.694 1.00 0.00 H new ATOM 0 HE2 LYS A 15 3.261 4.392 -6.115 1.00 0.00 H new ATOM 0 HE3 LYS A 15 3.378 5.961 -6.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 5.512 5.509 -6.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 4.888 6.584 -4.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 4.964 4.922 -4.613 1.00 0.00 H new ATOM 239 N TYR A 16 -1.572 5.665 -1.688 1.00 0.00 N ATOM 240 CA TYR A 16 -2.880 5.961 -2.259 1.00 0.00 C ATOM 241 C TYR A 16 -3.386 7.321 -1.786 1.00 0.00 C ATOM 242 O TYR A 16 -2.649 8.091 -1.170 1.00 0.00 O ATOM 243 CB TYR A 16 -3.884 4.871 -1.880 1.00 0.00 C ATOM 244 CG TYR A 16 -4.340 4.942 -0.441 1.00 0.00 C ATOM 245 CD1 TYR A 16 -3.528 4.484 0.590 1.00 0.00 C ATOM 246 CD2 TYR A 16 -5.583 5.468 -0.110 1.00 0.00 C ATOM 247 CE1 TYR A 16 -3.942 4.546 1.907 1.00 0.00 C ATOM 248 CE2 TYR A 16 -6.004 5.535 1.204 1.00 0.00 C ATOM 249 CZ TYR A 16 -5.180 5.073 2.209 1.00 0.00 C ATOM 250 OH TYR A 16 -5.594 5.137 3.519 1.00 0.00 O ATOM 0 H TYR A 16 -1.602 5.269 -0.748 1.00 0.00 H new ATOM 0 HA TYR A 16 -2.777 5.989 -3.344 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -4.754 4.947 -2.532 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -3.434 3.895 -2.062 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -2.557 4.073 0.358 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -6.231 5.831 -0.894 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -3.299 4.184 2.696 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -6.973 5.947 1.443 1.00 0.00 H new ATOM 0 HH TYR A 16 -6.488 5.535 3.560 1.00 0.00 H new ATOM 260 N LYS A 17 -4.649 7.609 -2.079 1.00 0.00 N ATOM 261 CA LYS A 17 -5.257 8.873 -1.683 1.00 0.00 C ATOM 262 C LYS A 17 -6.602 8.641 -1.002 1.00 0.00 C ATOM 263 O LYS A 17 -7.428 7.866 -1.485 1.00 0.00 O ATOM 264 CB LYS A 17 -5.443 9.778 -2.904 1.00 0.00 C ATOM 265 CG LYS A 17 -6.349 9.186 -3.968 1.00 0.00 C ATOM 266 CD LYS A 17 -5.964 9.665 -5.358 1.00 0.00 C ATOM 267 CE LYS A 17 -7.179 10.139 -6.141 1.00 0.00 C ATOM 268 NZ LYS A 17 -6.819 11.174 -7.148 1.00 0.00 N ATOM 0 H LYS A 17 -5.272 6.983 -2.590 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.589 9.361 -0.973 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.855 10.733 -2.578 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -4.467 9.985 -3.344 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -6.295 8.098 -3.929 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -7.383 9.461 -3.761 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.242 10.478 -5.277 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.474 8.856 -5.900 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -7.642 9.289 -6.643 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -7.920 10.545 -5.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -7.673 11.471 -7.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -6.400 11.996 -6.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -6.131 10.779 -7.821 1.00 0.00 H new ATOM 282 N ASN A 18 -6.817 9.318 0.122 1.00 0.00 N ATOM 283 CA ASN A 18 -8.062 9.185 0.868 1.00 0.00 C ATOM 284 C ASN A 18 -8.794 10.521 0.948 1.00 0.00 C ATOM 285 O ASN A 18 -8.236 11.568 0.615 1.00 0.00 O ATOM 286 CB ASN A 18 -7.783 8.659 2.278 1.00 0.00 C ATOM 287 CG ASN A 18 -7.463 9.773 3.257 1.00 0.00 C ATOM 288 OD1 ASN A 18 -6.324 10.425 3.060 1.00 0.00 O flip ATOM 289 ND2 ASN A 18 -8.233 10.043 4.180 1.00 0.00 N flip ATOM 0 H ASN A 18 -6.145 9.964 0.535 1.00 0.00 H new ATOM 0 HA ASN A 18 -8.697 8.473 0.341 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -8.651 8.104 2.634 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -6.949 7.958 2.243 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -9.098 9.515 4.293 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -8.005 10.795 4.831 1.00 0.00 H new ATOM 296 N ASP A 19 -10.045 10.479 1.391 1.00 0.00 N ATOM 297 CA ASP A 19 -10.854 11.686 1.516 1.00 0.00 C ATOM 298 C ASP A 19 -11.265 12.209 0.144 1.00 0.00 C ATOM 299 O ASP A 19 -12.438 12.154 -0.227 1.00 0.00 O ATOM 300 CB ASP A 19 -10.083 12.766 2.276 1.00 0.00 C ATOM 301 CG ASP A 19 -10.997 13.799 2.905 1.00 0.00 C ATOM 302 OD1 ASP A 19 -12.215 13.535 2.995 1.00 0.00 O ATOM 303 OD2 ASP A 19 -10.497 14.871 3.304 1.00 0.00 O ATOM 0 H ASP A 19 -10.522 9.622 1.670 1.00 0.00 H new ATOM 0 HA ASP A 19 -11.756 11.433 2.074 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -9.480 12.298 3.054 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -9.393 13.263 1.594 1.00 0.00 H new ATOM 308 N ALA A 20 -10.293 12.718 -0.606 1.00 0.00 N ATOM 309 CA ALA A 20 -10.554 13.249 -1.938 1.00 0.00 C ATOM 310 C ALA A 20 -9.256 13.633 -2.641 1.00 0.00 C ATOM 311 O ALA A 20 -9.159 14.698 -3.248 1.00 0.00 O ATOM 312 CB ALA A 20 -11.486 14.450 -1.854 1.00 0.00 C ATOM 0 H ALA A 20 -9.317 12.774 -0.314 1.00 0.00 H new ATOM 0 HA ALA A 20 -11.037 12.468 -2.525 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -11.672 14.837 -2.856 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -12.430 14.147 -1.400 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -11.024 15.227 -1.245 1.00 0.00 H new ATOM 318 N GLY A 21 -8.260 12.757 -2.553 1.00 0.00 N ATOM 319 CA GLY A 21 -6.981 13.023 -3.183 1.00 0.00 C ATOM 320 C GLY A 21 -5.903 13.384 -2.180 1.00 0.00 C ATOM 321 O GLY A 21 -4.869 13.945 -2.544 1.00 0.00 O ATOM 0 H GLY A 21 -8.316 11.868 -2.056 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -6.668 12.145 -3.747 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -7.095 13.838 -3.898 1.00 0.00 H new ATOM 325 N LYS A 22 -6.145 13.065 -0.914 1.00 0.00 N ATOM 326 CA LYS A 22 -5.189 13.359 0.146 1.00 0.00 C ATOM 327 C LYS A 22 -4.071 12.321 0.174 1.00 0.00 C ATOM 328 O LYS A 22 -4.312 11.143 0.437 1.00 0.00 O ATOM 329 CB LYS A 22 -5.896 13.400 1.503 1.00 0.00 C ATOM 330 CG LYS A 22 -5.605 14.657 2.304 1.00 0.00 C ATOM 331 CD LYS A 22 -4.149 14.719 2.735 1.00 0.00 C ATOM 332 CE LYS A 22 -3.938 15.746 3.838 1.00 0.00 C ATOM 333 NZ LYS A 22 -2.499 16.081 4.015 1.00 0.00 N ATOM 0 H LYS A 22 -6.997 12.602 -0.596 1.00 0.00 H new ATOM 0 HA LYS A 22 -4.749 14.336 -0.057 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -6.972 13.321 1.345 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -5.595 12.530 2.086 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -5.846 15.535 1.705 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -6.247 14.686 3.184 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -3.830 13.737 3.084 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -3.525 14.971 1.878 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -4.496 16.652 3.602 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -4.339 15.360 4.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -2.397 16.783 4.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -1.971 15.221 4.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -2.122 16.473 3.128 1.00 0.00 H new ATOM 347 N ASP A 23 -2.850 12.767 -0.095 1.00 0.00 N ATOM 348 CA ASP A 23 -1.693 11.877 -0.098 1.00 0.00 C ATOM 349 C ASP A 23 -1.621 11.077 1.200 1.00 0.00 C ATOM 350 O ASP A 23 -1.606 11.644 2.292 1.00 0.00 O ATOM 351 CB ASP A 23 -0.406 12.679 -0.289 1.00 0.00 C ATOM 352 CG ASP A 23 0.073 12.670 -1.728 1.00 0.00 C ATOM 353 OD1 ASP A 23 -0.770 12.833 -2.635 1.00 0.00 O ATOM 354 OD2 ASP A 23 1.290 12.497 -1.948 1.00 0.00 O ATOM 0 H ASP A 23 -2.634 13.740 -0.314 1.00 0.00 H new ATOM 0 HA ASP A 23 -1.803 11.180 -0.929 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -0.572 13.708 0.029 1.00 0.00 H new ATOM 0 HB3 ASP A 23 0.373 12.268 0.353 1.00 0.00 H new ATOM 359 N THR A 24 -1.577 9.755 1.072 1.00 0.00 N ATOM 360 CA THR A 24 -1.507 8.876 2.232 1.00 0.00 C ATOM 361 C THR A 24 -0.515 7.742 2.005 1.00 0.00 C ATOM 362 O THR A 24 -0.526 7.095 0.958 1.00 0.00 O ATOM 363 CB THR A 24 -2.887 8.277 2.566 1.00 0.00 C ATOM 364 OG1 THR A 24 -3.815 9.324 2.868 1.00 0.00 O ATOM 365 CG2 THR A 24 -2.790 7.322 3.745 1.00 0.00 C ATOM 0 H THR A 24 -1.589 9.269 0.175 1.00 0.00 H new ATOM 0 HA THR A 24 -1.170 9.486 3.070 1.00 0.00 H new ATOM 0 HB THR A 24 -3.238 7.721 1.697 1.00 0.00 H new ATOM 0 HG1 THR A 24 -4.725 9.023 2.666 1.00 0.00 H new ATOM 0 HG21 THR A 24 -3.776 6.911 3.963 1.00 0.00 H new ATOM 0 HG22 THR A 24 -2.105 6.510 3.500 1.00 0.00 H new ATOM 0 HG23 THR A 24 -2.420 7.859 4.618 1.00 0.00 H new ATOM 373 N PHE A 25 0.342 7.505 2.993 1.00 0.00 N ATOM 374 CA PHE A 25 1.342 6.448 2.900 1.00 0.00 C ATOM 375 C PHE A 25 1.326 5.573 4.151 1.00 0.00 C ATOM 376 O PHE A 25 1.676 6.025 5.242 1.00 0.00 O ATOM 377 CB PHE A 25 2.735 7.050 2.703 1.00 0.00 C ATOM 378 CG PHE A 25 2.844 7.922 1.484 1.00 0.00 C ATOM 379 CD1 PHE A 25 2.367 9.223 1.502 1.00 0.00 C ATOM 380 CD2 PHE A 25 3.424 7.441 0.322 1.00 0.00 C ATOM 381 CE1 PHE A 25 2.466 10.027 0.383 1.00 0.00 C ATOM 382 CE2 PHE A 25 3.525 8.239 -0.801 1.00 0.00 C ATOM 383 CZ PHE A 25 3.047 9.535 -0.770 1.00 0.00 C ATOM 0 H PHE A 25 0.364 8.031 3.867 1.00 0.00 H new ATOM 0 HA PHE A 25 1.098 5.826 2.039 1.00 0.00 H new ATOM 0 HB2 PHE A 25 2.997 7.636 3.584 1.00 0.00 H new ATOM 0 HB3 PHE A 25 3.464 6.243 2.629 1.00 0.00 H new ATOM 0 HD1 PHE A 25 1.913 9.613 2.401 1.00 0.00 H new ATOM 0 HD2 PHE A 25 3.802 6.430 0.294 1.00 0.00 H new ATOM 0 HE1 PHE A 25 2.090 11.039 0.409 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.977 7.851 -1.702 1.00 0.00 H new ATOM 0 HZ PHE A 25 3.127 10.162 -1.645 1.00 0.00 H new ATOM 393 N ILE A 26 0.918 4.320 3.984 1.00 0.00 N ATOM 394 CA ILE A 26 0.857 3.382 5.097 1.00 0.00 C ATOM 395 C ILE A 26 1.586 2.084 4.764 1.00 0.00 C ATOM 396 O ILE A 26 1.279 1.424 3.772 1.00 0.00 O ATOM 397 CB ILE A 26 -0.599 3.056 5.479 1.00 0.00 C ATOM 398 CG1 ILE A 26 -0.634 2.045 6.627 1.00 0.00 C ATOM 399 CG2 ILE A 26 -1.356 2.521 4.273 1.00 0.00 C ATOM 400 CD1 ILE A 26 0.087 2.517 7.870 1.00 0.00 C ATOM 0 H ILE A 26 0.625 3.931 3.088 1.00 0.00 H new ATOM 0 HA ILE A 26 1.347 3.864 5.943 1.00 0.00 H new ATOM 0 HB ILE A 26 -1.085 3.973 5.812 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.672 1.829 6.879 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.187 1.110 6.290 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.383 2.295 4.559 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.356 3.271 3.482 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.872 1.613 3.913 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.021 1.750 8.642 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.134 2.705 7.634 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.374 3.436 8.231 1.00 0.00 H new ATOM 412 N LYS A 27 2.553 1.725 5.601 1.00 0.00 N ATOM 413 CA LYS A 27 3.325 0.504 5.399 1.00 0.00 C ATOM 414 C LYS A 27 2.449 -0.730 5.581 1.00 0.00 C ATOM 415 O LYS A 27 1.776 -0.881 6.601 1.00 0.00 O ATOM 416 CB LYS A 27 4.503 0.455 6.374 1.00 0.00 C ATOM 417 CG LYS A 27 5.476 1.610 6.213 1.00 0.00 C ATOM 418 CD LYS A 27 6.326 1.802 7.459 1.00 0.00 C ATOM 419 CE LYS A 27 7.799 1.556 7.170 1.00 0.00 C ATOM 420 NZ LYS A 27 8.597 1.436 8.422 1.00 0.00 N ATOM 0 H LYS A 27 2.821 2.262 6.426 1.00 0.00 H new ATOM 0 HA LYS A 27 3.706 0.509 4.378 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.119 0.454 7.394 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.040 -0.483 6.235 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.123 1.425 5.355 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.923 2.526 6.004 1.00 0.00 H new ATOM 0 HD2 LYS A 27 6.193 2.815 7.840 1.00 0.00 H new ATOM 0 HD3 LYS A 27 5.988 1.121 8.240 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.907 0.645 6.582 1.00 0.00 H new ATOM 0 HE3 LYS A 27 8.192 2.374 6.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 9.595 1.269 8.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 8.515 2.315 8.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 8.239 0.640 8.987 1.00 0.00 H new ATOM 434 N CYS A 28 2.463 -1.612 4.586 1.00 0.00 N ATOM 435 CA CYS A 28 1.669 -2.834 4.637 1.00 0.00 C ATOM 436 C CYS A 28 2.269 -3.832 5.623 1.00 0.00 C ATOM 437 O CYS A 28 3.470 -3.826 5.896 1.00 0.00 O ATOM 438 CB CYS A 28 1.578 -3.466 3.247 1.00 0.00 C ATOM 439 SG CYS A 28 1.141 -2.301 1.935 1.00 0.00 S ATOM 0 H CYS A 28 3.015 -1.503 3.735 1.00 0.00 H new ATOM 0 HA CYS A 28 0.667 -2.572 4.976 1.00 0.00 H new ATOM 0 HB2 CYS A 28 2.536 -3.926 3.005 1.00 0.00 H new ATOM 0 HB3 CYS A 28 0.837 -4.265 3.271 1.00 0.00 H new ATOM 0 HG CYS A 28 2.008 -2.388 0.971 1.00 0.00 H new ATOM 445 N PRO A 29 1.416 -4.708 6.172 1.00 0.00 N ATOM 446 CA PRO A 29 1.839 -5.727 7.138 1.00 0.00 C ATOM 447 C PRO A 29 2.694 -6.814 6.496 1.00 0.00 C ATOM 448 O PRO A 29 2.196 -7.882 6.143 1.00 0.00 O ATOM 449 CB PRO A 29 0.516 -6.312 7.637 1.00 0.00 C ATOM 450 CG PRO A 29 -0.450 -6.068 6.530 1.00 0.00 C ATOM 451 CD PRO A 29 -0.029 -4.772 5.894 1.00 0.00 C ATOM 0 HA PRO A 29 2.460 -5.307 7.929 1.00 0.00 H new ATOM 0 HB2 PRO A 29 0.610 -7.376 7.852 1.00 0.00 H new ATOM 0 HB3 PRO A 29 0.192 -5.828 8.558 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -0.429 -6.883 5.807 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -1.470 -6.004 6.909 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -0.233 -4.765 4.823 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -0.559 -3.922 6.325 1.00 0.00 H new ATOM 459 N LYS A 30 3.984 -6.534 6.348 1.00 0.00 N ATOM 460 CA LYS A 30 4.911 -7.488 5.751 1.00 0.00 C ATOM 461 C LYS A 30 6.285 -7.396 6.406 1.00 0.00 C ATOM 462 O LYS A 30 7.257 -6.976 5.777 1.00 0.00 O ATOM 463 CB LYS A 30 5.034 -7.237 4.246 1.00 0.00 C ATOM 464 CG LYS A 30 3.772 -7.567 3.468 1.00 0.00 C ATOM 465 CD LYS A 30 3.614 -9.066 3.274 1.00 0.00 C ATOM 466 CE LYS A 30 2.204 -9.526 3.612 1.00 0.00 C ATOM 467 NZ LYS A 30 2.174 -10.363 4.844 1.00 0.00 N ATOM 0 H LYS A 30 4.412 -5.653 6.634 1.00 0.00 H new ATOM 0 HA LYS A 30 4.517 -8.491 5.916 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.289 -6.190 4.081 1.00 0.00 H new ATOM 0 HB3 LYS A 30 5.859 -7.832 3.853 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.904 -7.174 3.997 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.803 -7.074 2.496 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.845 -9.327 2.241 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.331 -9.593 3.904 1.00 0.00 H new ATOM 0 HE2 LYS A 30 1.561 -8.656 3.748 1.00 0.00 H new ATOM 0 HE3 LYS A 30 1.798 -10.095 2.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 1.308 -10.939 4.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 3.005 -10.988 4.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 2.188 -9.748 5.682 1.00 0.00 H new ATOM 481 N PHE A 31 6.359 -7.793 7.672 1.00 0.00 N ATOM 482 CA PHE A 31 7.615 -7.755 8.413 1.00 0.00 C ATOM 483 C PHE A 31 8.492 -8.953 8.058 1.00 0.00 C ATOM 484 O PHE A 31 8.202 -10.084 8.445 1.00 0.00 O ATOM 485 CB PHE A 31 7.343 -7.736 9.918 1.00 0.00 C ATOM 486 CG PHE A 31 7.158 -6.355 10.477 1.00 0.00 C ATOM 487 CD1 PHE A 31 5.936 -5.709 10.373 1.00 0.00 C ATOM 488 CD2 PHE A 31 8.205 -5.701 11.106 1.00 0.00 C ATOM 489 CE1 PHE A 31 5.763 -4.437 10.886 1.00 0.00 C ATOM 490 CE2 PHE A 31 8.038 -4.429 11.621 1.00 0.00 C ATOM 491 CZ PHE A 31 6.815 -3.797 11.511 1.00 0.00 C ATOM 0 H PHE A 31 5.565 -8.145 8.206 1.00 0.00 H new ATOM 0 HA PHE A 31 8.145 -6.844 8.135 1.00 0.00 H new ATOM 0 HB2 PHE A 31 6.450 -8.326 10.125 1.00 0.00 H new ATOM 0 HB3 PHE A 31 8.171 -8.220 10.435 1.00 0.00 H new ATOM 0 HD1 PHE A 31 5.110 -6.205 9.886 1.00 0.00 H new ATOM 0 HD2 PHE A 31 9.163 -6.191 11.195 1.00 0.00 H new ATOM 0 HE1 PHE A 31 4.806 -3.944 10.798 1.00 0.00 H new ATOM 0 HE2 PHE A 31 8.863 -3.930 12.109 1.00 0.00 H new ATOM 0 HZ PHE A 31 6.682 -2.804 11.913 1.00 0.00 H new ATOM 501 N ASP A 32 9.565 -8.693 7.318 1.00 0.00 N ATOM 502 CA ASP A 32 10.485 -9.749 6.911 1.00 0.00 C ATOM 503 C ASP A 32 9.733 -10.903 6.255 1.00 0.00 C ATOM 504 O ASP A 32 10.131 -12.061 6.369 1.00 0.00 O ATOM 505 CB ASP A 32 11.276 -10.259 8.116 1.00 0.00 C ATOM 506 CG ASP A 32 11.731 -9.136 9.026 1.00 0.00 C ATOM 507 OD1 ASP A 32 12.066 -8.051 8.508 1.00 0.00 O ATOM 508 OD2 ASP A 32 11.755 -9.343 10.259 1.00 0.00 O ATOM 0 H ASP A 32 9.819 -7.762 6.988 1.00 0.00 H new ATOM 0 HA ASP A 32 11.179 -9.330 6.182 1.00 0.00 H new ATOM 0 HB2 ASP A 32 10.659 -10.956 8.684 1.00 0.00 H new ATOM 0 HB3 ASP A 32 12.146 -10.815 7.767 1.00 0.00 H new ATOM 513 N ASN A 33 8.641 -10.578 5.569 1.00 0.00 N ATOM 514 CA ASN A 33 7.832 -11.587 4.897 1.00 0.00 C ATOM 515 C ASN A 33 7.654 -11.248 3.420 1.00 0.00 C ATOM 516 O ASN A 33 7.651 -12.132 2.565 1.00 0.00 O ATOM 517 CB ASN A 33 6.464 -11.707 5.572 1.00 0.00 C ATOM 518 CG ASN A 33 6.315 -12.998 6.352 1.00 0.00 C ATOM 519 OD1 ASN A 33 6.428 -14.090 5.795 1.00 0.00 O ATOM 520 ND2 ASN A 33 6.058 -12.880 7.650 1.00 0.00 N ATOM 0 H ASN A 33 8.297 -9.623 5.464 1.00 0.00 H new ATOM 0 HA ASN A 33 8.352 -12.542 4.972 1.00 0.00 H new ATOM 0 HB2 ASN A 33 6.318 -10.861 6.244 1.00 0.00 H new ATOM 0 HB3 ASN A 33 5.682 -11.651 4.815 1.00 0.00 H new ATOM 0 HD21 ASN A 33 5.946 -13.715 8.226 1.00 0.00 H new ATOM 0 HD22 ASN A 33 5.972 -11.955 8.071 1.00 0.00 H new ATOM 527 N LYS A 34 7.507 -9.960 3.129 1.00 0.00 N ATOM 528 CA LYS A 34 7.331 -9.501 1.756 1.00 0.00 C ATOM 529 C LYS A 34 7.201 -7.982 1.703 1.00 0.00 C ATOM 530 O LYS A 34 6.123 -7.449 1.441 1.00 0.00 O ATOM 531 CB LYS A 34 6.094 -10.151 1.134 1.00 0.00 C ATOM 532 CG LYS A 34 6.421 -11.243 0.131 1.00 0.00 C ATOM 533 CD LYS A 34 5.551 -11.139 -1.111 1.00 0.00 C ATOM 534 CE LYS A 34 5.640 -12.397 -1.961 1.00 0.00 C ATOM 535 NZ LYS A 34 4.845 -12.276 -3.215 1.00 0.00 N ATOM 0 H LYS A 34 7.506 -9.215 3.826 1.00 0.00 H new ATOM 0 HA LYS A 34 8.213 -9.793 1.186 1.00 0.00 H new ATOM 0 HB2 LYS A 34 5.477 -10.571 1.928 1.00 0.00 H new ATOM 0 HB3 LYS A 34 5.499 -9.382 0.641 1.00 0.00 H new ATOM 0 HG2 LYS A 34 7.471 -11.175 -0.153 1.00 0.00 H new ATOM 0 HG3 LYS A 34 6.279 -12.219 0.595 1.00 0.00 H new ATOM 0 HD2 LYS A 34 4.515 -10.969 -0.818 1.00 0.00 H new ATOM 0 HD3 LYS A 34 5.860 -10.277 -1.702 1.00 0.00 H new ATOM 0 HE2 LYS A 34 6.683 -12.594 -2.210 1.00 0.00 H new ATOM 0 HE3 LYS A 34 5.282 -13.251 -1.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 4.931 -13.153 -3.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 3.846 -12.113 -2.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 5.202 -11.477 -3.777 1.00 0.00 H new ATOM 549 N LYS A 35 8.308 -7.289 1.952 1.00 0.00 N ATOM 550 CA LYS A 35 8.319 -5.831 1.930 1.00 0.00 C ATOM 551 C LYS A 35 8.486 -5.310 0.506 1.00 0.00 C ATOM 552 O LYS A 35 9.384 -4.514 0.229 1.00 0.00 O ATOM 553 CB LYS A 35 9.445 -5.295 2.816 1.00 0.00 C ATOM 554 CG LYS A 35 9.435 -5.866 4.224 1.00 0.00 C ATOM 555 CD LYS A 35 10.739 -5.582 4.950 1.00 0.00 C ATOM 556 CE LYS A 35 10.779 -4.161 5.490 1.00 0.00 C ATOM 557 NZ LYS A 35 10.326 -4.092 6.907 1.00 0.00 N ATOM 0 H LYS A 35 9.209 -7.714 2.171 1.00 0.00 H new ATOM 0 HA LYS A 35 7.363 -5.480 2.317 1.00 0.00 H new ATOM 0 HB2 LYS A 35 10.403 -5.521 2.348 1.00 0.00 H new ATOM 0 HB3 LYS A 35 9.366 -4.209 2.873 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.604 -5.438 4.785 1.00 0.00 H new ATOM 0 HG3 LYS A 35 9.269 -6.942 4.180 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.860 -6.288 5.772 1.00 0.00 H new ATOM 0 HD3 LYS A 35 11.576 -5.737 4.270 1.00 0.00 H new ATOM 0 HE2 LYS A 35 11.795 -3.772 5.414 1.00 0.00 H new ATOM 0 HE3 LYS A 35 10.146 -3.521 4.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 10.368 -3.107 7.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 9.348 -4.439 6.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 10.945 -4.682 7.499 1.00 0.00 H new ATOM 571 N CYS A 36 7.617 -5.762 -0.391 1.00 0.00 N ATOM 572 CA CYS A 36 7.669 -5.341 -1.786 1.00 0.00 C ATOM 573 C CYS A 36 8.964 -5.801 -2.446 1.00 0.00 C ATOM 574 O CYS A 36 9.983 -5.990 -1.778 1.00 0.00 O ATOM 575 CB CYS A 36 7.545 -3.819 -1.885 1.00 0.00 C ATOM 576 SG CYS A 36 7.263 -3.210 -3.565 1.00 0.00 S ATOM 0 H CYS A 36 6.868 -6.420 -0.177 1.00 0.00 H new ATOM 0 HA CYS A 36 6.832 -5.803 -2.310 1.00 0.00 H new ATOM 0 HB2 CYS A 36 6.724 -3.490 -1.248 1.00 0.00 H new ATOM 0 HB3 CYS A 36 8.455 -3.365 -1.493 1.00 0.00 H new ATOM 0 HG CYS A 36 6.067 -3.541 -3.952 1.00 0.00 H new ATOM 582 N THR A 37 8.921 -5.984 -3.761 1.00 0.00 N ATOM 583 CA THR A 37 10.089 -6.426 -4.512 1.00 0.00 C ATOM 584 C THR A 37 10.008 -5.983 -5.968 1.00 0.00 C ATOM 585 O THR A 37 10.383 -6.725 -6.875 1.00 0.00 O ATOM 586 CB THR A 37 10.243 -7.958 -4.461 1.00 0.00 C ATOM 587 OG1 THR A 37 8.969 -8.584 -4.647 1.00 0.00 O ATOM 588 CG2 THR A 37 10.841 -8.398 -3.134 1.00 0.00 C ATOM 0 H THR A 37 8.088 -5.833 -4.329 1.00 0.00 H new ATOM 0 HA THR A 37 10.958 -5.965 -4.043 1.00 0.00 H new ATOM 0 HB THR A 37 10.917 -8.260 -5.263 1.00 0.00 H new ATOM 0 HG1 THR A 37 9.075 -9.558 -4.615 1.00 0.00 H new ATOM 0 HG21 THR A 37 10.940 -9.483 -3.122 1.00 0.00 H new ATOM 0 HG22 THR A 37 11.823 -7.943 -3.009 1.00 0.00 H new ATOM 0 HG23 THR A 37 10.189 -8.084 -2.319 1.00 0.00 H new ATOM 596 N LYS A 38 9.517 -4.767 -6.184 1.00 0.00 N ATOM 597 CA LYS A 38 9.389 -4.222 -7.531 1.00 0.00 C ATOM 598 C LYS A 38 8.762 -2.832 -7.498 1.00 0.00 C ATOM 599 O LYS A 38 7.729 -2.622 -6.861 1.00 0.00 O ATOM 600 CB LYS A 38 8.544 -5.154 -8.402 1.00 0.00 C ATOM 601 CG LYS A 38 9.182 -5.480 -9.741 1.00 0.00 C ATOM 602 CD LYS A 38 8.862 -6.899 -10.181 1.00 0.00 C ATOM 603 CE LYS A 38 8.571 -6.968 -11.672 1.00 0.00 C ATOM 604 NZ LYS A 38 9.734 -6.517 -12.486 1.00 0.00 N ATOM 0 H LYS A 38 9.201 -4.140 -5.444 1.00 0.00 H new ATOM 0 HA LYS A 38 10.388 -4.141 -7.960 1.00 0.00 H new ATOM 0 HB2 LYS A 38 8.365 -6.082 -7.859 1.00 0.00 H new ATOM 0 HB3 LYS A 38 7.571 -4.693 -8.575 1.00 0.00 H new ATOM 0 HG2 LYS A 38 8.828 -4.776 -10.494 1.00 0.00 H new ATOM 0 HG3 LYS A 38 10.262 -5.355 -9.670 1.00 0.00 H new ATOM 0 HD2 LYS A 38 9.701 -7.553 -9.942 1.00 0.00 H new ATOM 0 HD3 LYS A 38 8.001 -7.268 -9.624 1.00 0.00 H new ATOM 0 HE2 LYS A 38 8.312 -7.991 -11.944 1.00 0.00 H new ATOM 0 HE3 LYS A 38 7.705 -6.348 -11.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 9.527 -6.659 -13.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 9.912 -5.508 -12.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 10.576 -7.069 -12.225 1.00 0.00 H new ATOM 618 N ASP A 39 9.390 -1.887 -8.189 1.00 0.00 N ATOM 619 CA ASP A 39 8.892 -0.518 -8.241 1.00 0.00 C ATOM 620 C ASP A 39 7.421 -0.490 -8.648 1.00 0.00 C ATOM 621 O ASP A 39 7.057 -0.963 -9.724 1.00 0.00 O ATOM 622 CB ASP A 39 9.722 0.313 -9.221 1.00 0.00 C ATOM 623 CG ASP A 39 11.212 0.127 -9.019 1.00 0.00 C ATOM 624 OD1 ASP A 39 11.732 -0.945 -9.392 1.00 0.00 O ATOM 625 OD2 ASP A 39 11.860 1.053 -8.487 1.00 0.00 O ATOM 0 H ASP A 39 10.246 -2.044 -8.721 1.00 0.00 H new ATOM 0 HA ASP A 39 8.983 -0.086 -7.244 1.00 0.00 H new ATOM 0 HB2 ASP A 39 9.459 0.035 -10.242 1.00 0.00 H new ATOM 0 HB3 ASP A 39 9.471 1.367 -9.103 1.00 0.00 H new ATOM 630 N ASN A 40 6.583 0.068 -7.781 1.00 0.00 N ATOM 631 CA ASN A 40 5.153 0.156 -8.050 1.00 0.00 C ATOM 632 C ASN A 40 4.587 -1.207 -8.435 1.00 0.00 C ATOM 633 O ASN A 40 3.945 -1.353 -9.475 1.00 0.00 O ATOM 634 CB ASN A 40 4.884 1.167 -9.168 1.00 0.00 C ATOM 635 CG ASN A 40 5.942 2.252 -9.233 1.00 0.00 C ATOM 636 OD1 ASN A 40 7.044 2.029 -9.734 1.00 0.00 O ATOM 637 ND2 ASN A 40 5.611 3.432 -8.724 1.00 0.00 N ATOM 0 H ASN A 40 6.869 0.466 -6.887 1.00 0.00 H new ATOM 0 HA ASN A 40 4.657 0.491 -7.139 1.00 0.00 H new ATOM 0 HB2 ASN A 40 4.843 0.645 -10.124 1.00 0.00 H new ATOM 0 HB3 ASN A 40 3.907 1.625 -9.013 1.00 0.00 H new ATOM 0 HD21 ASN A 40 6.282 4.200 -8.738 1.00 0.00 H new ATOM 0 HD22 ASN A 40 4.685 3.571 -8.319 1.00 0.00 H new ATOM 644 N ASN A 41 4.829 -2.203 -7.589 1.00 0.00 N ATOM 645 CA ASN A 41 4.342 -3.555 -7.841 1.00 0.00 C ATOM 646 C ASN A 41 2.818 -3.582 -7.907 1.00 0.00 C ATOM 647 O ASN A 41 2.234 -3.660 -8.988 1.00 0.00 O ATOM 648 CB ASN A 41 4.833 -4.507 -6.748 1.00 0.00 C ATOM 649 CG ASN A 41 5.670 -5.643 -7.304 1.00 0.00 C ATOM 650 OD1 ASN A 41 5.646 -5.916 -8.505 1.00 0.00 O ATOM 651 ND2 ASN A 41 6.414 -6.312 -6.432 1.00 0.00 N ATOM 0 H ASN A 41 5.359 -2.100 -6.724 1.00 0.00 H new ATOM 0 HA ASN A 41 4.735 -3.882 -8.804 1.00 0.00 H new ATOM 0 HB2 ASN A 41 5.422 -3.948 -6.021 1.00 0.00 H new ATOM 0 HB3 ASN A 41 3.975 -4.918 -6.216 1.00 0.00 H new ATOM 0 HD21 ASN A 41 6.997 -7.087 -6.748 1.00 0.00 H new ATOM 0 HD22 ASN A 41 6.403 -6.051 -5.446 1.00 0.00 H new ATOM 658 N LYS A 42 2.179 -3.515 -6.744 1.00 0.00 N ATOM 659 CA LYS A 42 0.724 -3.529 -6.668 1.00 0.00 C ATOM 660 C LYS A 42 0.254 -3.424 -5.220 1.00 0.00 C ATOM 661 O LYS A 42 0.878 -3.975 -4.313 1.00 0.00 O ATOM 662 CB LYS A 42 0.172 -4.808 -7.302 1.00 0.00 C ATOM 663 CG LYS A 42 -1.309 -5.024 -7.046 1.00 0.00 C ATOM 664 CD LYS A 42 -1.998 -5.647 -8.248 1.00 0.00 C ATOM 665 CE LYS A 42 -3.254 -6.403 -7.842 1.00 0.00 C ATOM 666 NZ LYS A 42 -4.118 -6.713 -9.014 1.00 0.00 N ATOM 0 H LYS A 42 2.647 -3.450 -5.840 1.00 0.00 H new ATOM 0 HA LYS A 42 0.348 -2.666 -7.218 1.00 0.00 H new ATOM 0 HB2 LYS A 42 0.345 -4.774 -8.378 1.00 0.00 H new ATOM 0 HB3 LYS A 42 0.727 -5.663 -6.917 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -1.439 -5.669 -6.177 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -1.781 -4.071 -6.809 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -2.257 -4.867 -8.964 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -1.310 -6.326 -8.751 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -2.974 -7.330 -7.342 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -3.818 -5.810 -7.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -4.963 -7.228 -8.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -4.406 -5.827 -9.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -3.589 -7.300 -9.690 1.00 0.00 H new ATOM 680 N CYS A 43 -0.850 -2.715 -5.012 1.00 0.00 N ATOM 681 CA CYS A 43 -1.405 -2.538 -3.675 1.00 0.00 C ATOM 682 C CYS A 43 -2.914 -2.324 -3.736 1.00 0.00 C ATOM 683 O CYS A 43 -3.476 -2.088 -4.806 1.00 0.00 O ATOM 684 CB CYS A 43 -0.737 -1.352 -2.977 1.00 0.00 C ATOM 685 SG CYS A 43 -0.472 -1.593 -1.204 1.00 0.00 S ATOM 0 H CYS A 43 -1.378 -2.253 -5.752 1.00 0.00 H new ATOM 0 HA CYS A 43 -1.208 -3.445 -3.103 1.00 0.00 H new ATOM 0 HB2 CYS A 43 0.224 -1.157 -3.454 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -1.352 -0.464 -3.124 1.00 0.00 H new ATOM 0 HG CYS A 43 0.802 -1.683 -0.964 1.00 0.00 H new ATOM 691 N THR A 44 -3.565 -2.413 -2.580 1.00 0.00 N ATOM 692 CA THR A 44 -5.010 -2.233 -2.502 1.00 0.00 C ATOM 693 C THR A 44 -5.460 -2.022 -1.061 1.00 0.00 C ATOM 694 O THR A 44 -4.982 -2.693 -0.146 1.00 0.00 O ATOM 695 CB THR A 44 -5.759 -3.443 -3.091 1.00 0.00 C ATOM 696 OG1 THR A 44 -4.839 -4.508 -3.356 1.00 0.00 O ATOM 697 CG2 THR A 44 -6.483 -3.059 -4.372 1.00 0.00 C ATOM 0 H THR A 44 -3.115 -2.608 -1.686 1.00 0.00 H new ATOM 0 HA THR A 44 -5.251 -1.346 -3.088 1.00 0.00 H new ATOM 0 HB THR A 44 -6.497 -3.776 -2.361 1.00 0.00 H new ATOM 0 HG1 THR A 44 -5.324 -5.274 -3.729 1.00 0.00 H new ATOM 0 HG21 THR A 44 -7.005 -3.929 -4.770 1.00 0.00 H new ATOM 0 HG22 THR A 44 -7.204 -2.269 -4.160 1.00 0.00 H new ATOM 0 HG23 THR A 44 -5.760 -2.703 -5.106 1.00 0.00 H new ATOM 705 N VAL A 45 -6.384 -1.086 -0.865 1.00 0.00 N ATOM 706 CA VAL A 45 -6.899 -0.788 0.466 1.00 0.00 C ATOM 707 C VAL A 45 -8.424 -0.755 0.469 1.00 0.00 C ATOM 708 O VAL A 45 -9.048 -0.317 -0.498 1.00 0.00 O ATOM 709 CB VAL A 45 -6.366 0.560 0.986 1.00 0.00 C ATOM 710 CG1 VAL A 45 -6.942 0.867 2.361 1.00 0.00 C ATOM 711 CG2 VAL A 45 -4.846 0.551 1.026 1.00 0.00 C ATOM 0 H VAL A 45 -6.791 -0.522 -1.611 1.00 0.00 H new ATOM 0 HA VAL A 45 -6.554 -1.584 1.125 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.684 1.346 0.301 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -6.554 1.823 2.713 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -8.029 0.917 2.297 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.656 0.081 3.059 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.486 1.511 1.396 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.504 -0.244 1.688 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.457 0.380 0.022 1.00 0.00 H new ATOM 721 N ASP A 46 -9.018 -1.219 1.562 1.00 0.00 N ATOM 722 CA ASP A 46 -10.471 -1.241 1.692 1.00 0.00 C ATOM 723 C ASP A 46 -10.913 -0.520 2.962 1.00 0.00 C ATOM 724 O ASP A 46 -10.303 -0.672 4.020 1.00 0.00 O ATOM 725 CB ASP A 46 -10.982 -2.682 1.706 1.00 0.00 C ATOM 726 CG ASP A 46 -12.402 -2.798 1.189 1.00 0.00 C ATOM 727 OD1 ASP A 46 -13.297 -2.144 1.764 1.00 0.00 O ATOM 728 OD2 ASP A 46 -12.620 -3.544 0.211 1.00 0.00 O ATOM 0 H ASP A 46 -8.517 -1.585 2.371 1.00 0.00 H new ATOM 0 HA ASP A 46 -10.896 -0.722 0.833 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -10.325 -3.303 1.097 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -10.936 -3.071 2.723 1.00 0.00 H new ATOM 733 N THR A 47 -11.979 0.268 2.848 1.00 0.00 N ATOM 734 CA THR A 47 -12.502 1.014 3.985 1.00 0.00 C ATOM 735 C THR A 47 -13.213 0.091 4.969 1.00 0.00 C ATOM 736 O THR A 47 -13.553 0.497 6.080 1.00 0.00 O ATOM 737 CB THR A 47 -13.480 2.115 3.532 1.00 0.00 C ATOM 738 OG1 THR A 47 -14.608 1.528 2.875 1.00 0.00 O ATOM 739 CG2 THR A 47 -12.794 3.095 2.593 1.00 0.00 C ATOM 0 H THR A 47 -12.496 0.405 1.980 1.00 0.00 H new ATOM 0 HA THR A 47 -11.648 1.477 4.479 1.00 0.00 H new ATOM 0 HB THR A 47 -13.816 2.657 4.416 1.00 0.00 H new ATOM 0 HG1 THR A 47 -15.226 2.234 2.592 1.00 0.00 H new ATOM 0 HG21 THR A 47 -13.504 3.863 2.287 1.00 0.00 H new ATOM 0 HG22 THR A 47 -11.953 3.562 3.106 1.00 0.00 H new ATOM 0 HG23 THR A 47 -12.432 2.563 1.713 1.00 0.00 H new ATOM 747 N TYR A 48 -13.435 -1.151 4.553 1.00 0.00 N ATOM 748 CA TYR A 48 -14.108 -2.131 5.397 1.00 0.00 C ATOM 749 C TYR A 48 -13.451 -2.207 6.772 1.00 0.00 C ATOM 750 O TYR A 48 -14.099 -1.992 7.794 1.00 0.00 O ATOM 751 CB TYR A 48 -14.087 -3.508 4.732 1.00 0.00 C ATOM 752 CG TYR A 48 -15.000 -4.514 5.395 1.00 0.00 C ATOM 753 CD1 TYR A 48 -14.710 -5.017 6.657 1.00 0.00 C ATOM 754 CD2 TYR A 48 -16.150 -4.963 4.760 1.00 0.00 C ATOM 755 CE1 TYR A 48 -15.541 -5.937 7.268 1.00 0.00 C ATOM 756 CE2 TYR A 48 -16.987 -5.883 5.362 1.00 0.00 C ATOM 757 CZ TYR A 48 -16.678 -6.367 6.616 1.00 0.00 C ATOM 758 OH TYR A 48 -17.508 -7.283 7.219 1.00 0.00 O ATOM 0 H TYR A 48 -13.159 -1.503 3.636 1.00 0.00 H new ATOM 0 HA TYR A 48 -15.143 -1.813 5.526 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -14.376 -3.402 3.686 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -13.067 -3.892 4.744 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -13.820 -4.683 7.170 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -16.395 -4.586 3.778 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -15.302 -6.317 8.250 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -17.878 -6.221 4.854 1.00 0.00 H new ATOM 0 HH TYR A 48 -18.264 -7.479 6.627 1.00 0.00 H new ATOM 768 N ASN A 49 -12.158 -2.516 6.786 1.00 0.00 N ATOM 769 CA ASN A 49 -11.412 -2.622 8.034 1.00 0.00 C ATOM 770 C ASN A 49 -9.938 -2.291 7.816 1.00 0.00 C ATOM 771 O ASN A 49 -9.057 -2.928 8.390 1.00 0.00 O ATOM 772 CB ASN A 49 -11.548 -4.030 8.617 1.00 0.00 C ATOM 773 CG ASN A 49 -11.100 -5.104 7.644 1.00 0.00 C ATOM 774 OD1 ASN A 49 -10.409 -4.822 6.666 1.00 0.00 O ATOM 775 ND2 ASN A 49 -11.493 -6.344 7.910 1.00 0.00 N ATOM 0 H ASN A 49 -11.606 -2.697 5.948 1.00 0.00 H new ATOM 0 HA ASN A 49 -11.829 -1.902 8.739 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -10.957 -4.101 9.530 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -12.587 -4.206 8.896 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -11.222 -7.109 7.292 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -12.066 -6.532 8.733 1.00 0.00 H new ATOM 782 N ASN A 50 -9.680 -1.288 6.984 1.00 0.00 N ATOM 783 CA ASN A 50 -8.314 -0.870 6.690 1.00 0.00 C ATOM 784 C ASN A 50 -7.456 -2.065 6.282 1.00 0.00 C ATOM 785 O ASN A 50 -6.345 -2.244 6.782 1.00 0.00 O ATOM 786 CB ASN A 50 -7.697 -0.177 7.907 1.00 0.00 C ATOM 787 CG ASN A 50 -6.770 0.958 7.517 1.00 0.00 C ATOM 788 OD1 ASN A 50 -6.892 2.075 8.020 1.00 0.00 O ATOM 789 ND2 ASN A 50 -5.835 0.675 6.617 1.00 0.00 N ATOM 0 H ASN A 50 -10.399 -0.749 6.501 1.00 0.00 H new ATOM 0 HA ASN A 50 -8.347 -0.167 5.858 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -8.493 0.210 8.544 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -7.144 -0.908 8.497 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -5.181 1.398 6.316 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -5.771 -0.265 6.227 1.00 0.00 H new ATOM 796 N ALA A 51 -7.979 -2.878 5.372 1.00 0.00 N ATOM 797 CA ALA A 51 -7.261 -4.054 4.894 1.00 0.00 C ATOM 798 C ALA A 51 -6.357 -3.704 3.718 1.00 0.00 C ATOM 799 O ALA A 51 -6.815 -3.590 2.581 1.00 0.00 O ATOM 800 CB ALA A 51 -8.242 -5.148 4.500 1.00 0.00 C ATOM 0 H ALA A 51 -8.898 -2.745 4.950 1.00 0.00 H new ATOM 0 HA ALA A 51 -6.633 -4.420 5.706 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -7.692 -6.020 4.145 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -8.844 -5.426 5.365 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -8.894 -4.783 3.707 1.00 0.00 H new ATOM 806 N VAL A 52 -5.067 -3.535 3.999 1.00 0.00 N ATOM 807 CA VAL A 52 -4.097 -3.199 2.964 1.00 0.00 C ATOM 808 C VAL A 52 -3.376 -4.444 2.461 1.00 0.00 C ATOM 809 O VAL A 52 -2.610 -5.069 3.196 1.00 0.00 O ATOM 810 CB VAL A 52 -3.056 -2.187 3.479 1.00 0.00 C ATOM 811 CG1 VAL A 52 -2.178 -1.696 2.337 1.00 0.00 C ATOM 812 CG2 VAL A 52 -3.744 -1.021 4.173 1.00 0.00 C ATOM 0 H VAL A 52 -4.671 -3.626 4.935 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.654 -2.749 2.142 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.418 -2.688 4.207 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.449 -0.982 2.720 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.657 -2.542 1.889 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.799 -1.212 1.583 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.993 -0.316 4.530 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -4.407 -0.519 3.469 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.325 -1.392 5.018 1.00 0.00 H new ATOM 822 N ASP A 53 -3.625 -4.799 1.206 1.00 0.00 N ATOM 823 CA ASP A 53 -2.997 -5.968 0.603 1.00 0.00 C ATOM 824 C ASP A 53 -1.618 -5.623 0.051 1.00 0.00 C ATOM 825 O ASP A 53 -1.170 -4.478 0.145 1.00 0.00 O ATOM 826 CB ASP A 53 -3.880 -6.531 -0.512 1.00 0.00 C ATOM 827 CG ASP A 53 -5.163 -7.141 0.017 1.00 0.00 C ATOM 828 OD1 ASP A 53 -5.472 -6.933 1.209 1.00 0.00 O ATOM 829 OD2 ASP A 53 -5.858 -7.827 -0.761 1.00 0.00 O ATOM 0 H ASP A 53 -4.258 -4.294 0.586 1.00 0.00 H new ATOM 0 HA ASP A 53 -2.878 -6.724 1.379 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -4.123 -5.735 -1.216 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.323 -7.287 -1.066 1.00 0.00 H new ATOM 834 N CYS A 54 -0.950 -6.617 -0.523 1.00 0.00 N ATOM 835 CA CYS A 54 0.381 -6.418 -1.088 1.00 0.00 C ATOM 836 C CYS A 54 0.623 -7.368 -2.256 1.00 0.00 C ATOM 837 O CYS A 54 0.128 -8.496 -2.263 1.00 0.00 O ATOM 838 CB CYS A 54 1.451 -6.625 -0.015 1.00 0.00 C ATOM 839 SG CYS A 54 1.691 -8.352 0.463 1.00 0.00 S ATOM 0 H CYS A 54 -1.307 -7.568 -0.610 1.00 0.00 H new ATOM 0 HA CYS A 54 0.442 -5.394 -1.457 1.00 0.00 H new ATOM 0 HB2 CYS A 54 2.397 -6.225 -0.379 1.00 0.00 H new ATOM 0 HB3 CYS A 54 1.180 -6.048 0.869 1.00 0.00 H new ATOM 0 HG CYS A 54 1.178 -9.129 -0.445 1.00 0.00 H new ATOM 845 N ASP A 55 1.385 -6.906 -3.241 1.00 0.00 N ATOM 846 CA ASP A 55 1.693 -7.716 -4.414 1.00 0.00 C ATOM 847 C ASP A 55 2.484 -8.960 -4.024 1.00 0.00 C ATOM 848 O ASP A 55 3.669 -8.877 -3.698 1.00 0.00 O ATOM 849 CB ASP A 55 2.482 -6.894 -5.434 1.00 0.00 C ATOM 850 CG ASP A 55 2.415 -7.484 -6.829 1.00 0.00 C ATOM 851 OD1 ASP A 55 1.388 -8.111 -7.159 1.00 0.00 O ATOM 852 OD2 ASP A 55 3.392 -7.318 -7.591 1.00 0.00 O ATOM 0 H ASP A 55 1.801 -5.975 -3.251 1.00 0.00 H new ATOM 0 HA ASP A 55 0.752 -8.033 -4.863 1.00 0.00 H new ATOM 0 HB2 ASP A 55 2.094 -5.876 -5.454 1.00 0.00 H new ATOM 0 HB3 ASP A 55 3.524 -6.832 -5.119 1.00 0.00 H new