USER MOD reduce.3.24.130724 H: found=0, std=0, add=376, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 378 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 44 SER OG : rot -140:sc= -0.257 USER MOD Set 1.2: A 47 THR OG1 : rot 72:sc= 0.0246! USER MOD Set 2.1: A 26 SER OG : rot 160:sc=-0.00271 USER MOD Set 2.2: A 49 THR OG1 : rot 180:sc= -1.87! USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0.00384 USER MOD Single : A 11 TYR OH : rot 30:sc= -1.85! USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 ASN :FLIP amide:sc=-0.00581 F(o=-1.5,f=-0.0058) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot -1:sc= 0.0211 USER MOD Single : A 31 TYR OH : rot 147:sc= -9.68! USER MOD Single : A 33 ASN : amide:sc= -1.04 K(o=-1,f=-7.4!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 39 ASN : amide:sc= -0.992 K(o=-0.99,f=-3.6!) USER MOD Single : A 45 ASN : amide:sc= 0.00735 X(o=0.0073,f=0) USER MOD Single : A 51 SER OG : rot -127:sc= 0.259 USER MOD Single : A 52 HIS : no HD1:sc= -2.11! C(o=-2.1!,f=-1.7!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 3 7.701 -0.214 -8.349 1.00 0.00 N ATOM 2 CA ALA A 3 6.390 -0.812 -7.972 1.00 0.00 C ATOM 3 C ALA A 3 5.296 0.251 -8.072 1.00 0.00 C ATOM 4 O ALA A 3 4.563 0.310 -9.041 1.00 0.00 O ATOM 5 CB ALA A 3 6.461 -1.336 -6.536 1.00 0.00 C ATOM 0 HA ALA A 3 6.160 -1.635 -8.648 1.00 0.00 H new ATOM 0 HB1 ALA A 3 5.501 -1.774 -6.260 1.00 0.00 H new ATOM 0 HB2 ALA A 3 7.240 -2.095 -6.464 1.00 0.00 H new ATOM 0 HB3 ALA A 3 6.692 -0.513 -5.859 1.00 0.00 H new ATOM 13 N VAL A 4 5.176 1.092 -7.082 1.00 0.00 N ATOM 14 CA VAL A 4 4.123 2.149 -7.129 1.00 0.00 C ATOM 15 C VAL A 4 4.702 3.474 -6.635 1.00 0.00 C ATOM 16 O VAL A 4 5.901 3.641 -6.526 1.00 0.00 O ATOM 17 CB VAL A 4 2.935 1.762 -6.237 1.00 0.00 C ATOM 18 CG1 VAL A 4 1.729 1.436 -7.117 1.00 0.00 C ATOM 19 CG2 VAL A 4 3.283 0.540 -5.380 1.00 0.00 C ATOM 0 H VAL A 4 5.759 1.094 -6.245 1.00 0.00 H new ATOM 0 HA VAL A 4 3.781 2.251 -8.159 1.00 0.00 H new ATOM 0 HB VAL A 4 2.702 2.598 -5.578 1.00 0.00 H new ATOM 0 HG11 VAL A 4 0.883 1.161 -6.487 1.00 0.00 H new ATOM 0 HG12 VAL A 4 1.468 2.310 -7.714 1.00 0.00 H new ATOM 0 HG13 VAL A 4 1.975 0.605 -7.778 1.00 0.00 H new ATOM 0 HG21 VAL A 4 2.430 0.280 -4.754 1.00 0.00 H new ATOM 0 HG22 VAL A 4 3.528 -0.301 -6.028 1.00 0.00 H new ATOM 0 HG23 VAL A 4 4.140 0.771 -4.747 1.00 0.00 H new ATOM 29 N SER A 5 3.852 4.416 -6.333 1.00 0.00 N ATOM 30 CA SER A 5 4.337 5.733 -5.841 1.00 0.00 C ATOM 31 C SER A 5 4.444 5.692 -4.314 1.00 0.00 C ATOM 32 O SER A 5 4.255 6.685 -3.639 1.00 0.00 O ATOM 33 CB SER A 5 3.345 6.820 -6.258 1.00 0.00 C ATOM 34 OG SER A 5 4.019 8.069 -6.337 1.00 0.00 O ATOM 0 H SER A 5 2.838 4.328 -6.407 1.00 0.00 H new ATOM 0 HA SER A 5 5.316 5.951 -6.267 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.901 6.572 -7.222 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.529 6.879 -5.537 1.00 0.00 H new ATOM 0 HG SER A 5 3.385 8.766 -6.606 1.00 0.00 H new ATOM 40 N VAL A 6 4.743 4.546 -3.765 1.00 0.00 N ATOM 41 CA VAL A 6 4.860 4.428 -2.285 1.00 0.00 C ATOM 42 C VAL A 6 6.323 4.176 -1.910 1.00 0.00 C ATOM 43 O VAL A 6 7.146 3.875 -2.752 1.00 0.00 O ATOM 44 CB VAL A 6 3.998 3.256 -1.810 1.00 0.00 C ATOM 45 CG1 VAL A 6 4.250 2.045 -2.707 1.00 0.00 C ATOM 46 CG2 VAL A 6 4.356 2.899 -0.364 1.00 0.00 C ATOM 0 H VAL A 6 4.912 3.683 -4.281 1.00 0.00 H new ATOM 0 HA VAL A 6 4.521 5.349 -1.811 1.00 0.00 H new ATOM 0 HB VAL A 6 2.947 3.540 -1.861 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.637 1.209 -2.370 1.00 0.00 H new ATOM 0 HG12 VAL A 6 3.990 2.294 -3.736 1.00 0.00 H new ATOM 0 HG13 VAL A 6 5.303 1.767 -2.655 1.00 0.00 H new ATOM 0 HG21 VAL A 6 3.739 2.064 -0.032 1.00 0.00 H new ATOM 0 HG22 VAL A 6 5.408 2.618 -0.308 1.00 0.00 H new ATOM 0 HG23 VAL A 6 4.177 3.761 0.279 1.00 0.00 H new ATOM 56 N ASP A 7 6.657 4.301 -0.654 1.00 0.00 N ATOM 57 CA ASP A 7 8.067 4.071 -0.234 1.00 0.00 C ATOM 58 C ASP A 7 8.250 2.615 0.187 1.00 0.00 C ATOM 59 O ASP A 7 8.362 2.309 1.357 1.00 0.00 O ATOM 60 CB ASP A 7 8.404 4.980 0.949 1.00 0.00 C ATOM 61 CG ASP A 7 9.807 5.561 0.766 1.00 0.00 C ATOM 62 OD1 ASP A 7 10.334 5.453 -0.328 1.00 0.00 O ATOM 63 OD2 ASP A 7 10.331 6.104 1.726 1.00 0.00 O ATOM 0 H ASP A 7 6.015 4.552 0.098 1.00 0.00 H new ATOM 0 HA ASP A 7 8.729 4.295 -1.071 1.00 0.00 H new ATOM 0 HB2 ASP A 7 7.673 5.785 1.022 1.00 0.00 H new ATOM 0 HB3 ASP A 7 8.351 4.416 1.880 1.00 0.00 H new ATOM 68 N CYS A 8 8.291 1.713 -0.754 1.00 0.00 N ATOM 69 CA CYS A 8 8.483 0.281 -0.399 1.00 0.00 C ATOM 70 C CYS A 8 9.982 -0.006 -0.305 1.00 0.00 C ATOM 71 O CYS A 8 10.505 -0.843 -1.014 1.00 0.00 O ATOM 72 CB CYS A 8 7.856 -0.607 -1.477 1.00 0.00 C ATOM 73 SG CYS A 8 6.123 -0.142 -1.717 1.00 0.00 S ATOM 0 H CYS A 8 8.200 1.906 -1.751 1.00 0.00 H new ATOM 0 HA CYS A 8 8.004 0.070 0.557 1.00 0.00 H new ATOM 0 HB2 CYS A 8 8.404 -0.501 -2.413 1.00 0.00 H new ATOM 0 HB3 CYS A 8 7.924 -1.655 -1.184 1.00 0.00 H new ATOM 78 N SER A 9 10.672 0.700 0.556 1.00 0.00 N ATOM 79 CA SER A 9 12.147 0.499 0.708 1.00 0.00 C ATOM 80 C SER A 9 12.512 -0.975 0.503 1.00 0.00 C ATOM 81 O SER A 9 13.034 -1.354 -0.526 1.00 0.00 O ATOM 82 CB SER A 9 12.577 0.938 2.110 1.00 0.00 C ATOM 83 OG SER A 9 12.114 2.260 2.349 1.00 0.00 O ATOM 0 H SER A 9 10.273 1.414 1.166 1.00 0.00 H new ATOM 0 HA SER A 9 12.663 1.097 -0.044 1.00 0.00 H new ATOM 0 HB2 SER A 9 12.171 0.257 2.858 1.00 0.00 H new ATOM 0 HB3 SER A 9 13.663 0.899 2.199 1.00 0.00 H new ATOM 0 HG SER A 9 12.386 2.545 3.247 1.00 0.00 H new ATOM 89 N GLU A 10 12.247 -1.808 1.471 1.00 0.00 N ATOM 90 CA GLU A 10 12.589 -3.251 1.318 1.00 0.00 C ATOM 91 C GLU A 10 11.400 -4.116 1.751 1.00 0.00 C ATOM 92 O GLU A 10 11.380 -4.663 2.834 1.00 0.00 O ATOM 93 CB GLU A 10 13.805 -3.583 2.185 1.00 0.00 C ATOM 94 CG GLU A 10 13.640 -2.945 3.566 1.00 0.00 C ATOM 95 CD GLU A 10 13.952 -3.980 4.648 1.00 0.00 C ATOM 96 OE1 GLU A 10 13.497 -5.104 4.515 1.00 0.00 O ATOM 97 OE2 GLU A 10 14.643 -3.631 5.592 1.00 0.00 O ATOM 0 H GLU A 10 11.811 -1.554 2.357 1.00 0.00 H new ATOM 0 HA GLU A 10 12.820 -3.456 0.273 1.00 0.00 H new ATOM 0 HB2 GLU A 10 13.911 -4.663 2.283 1.00 0.00 H new ATOM 0 HB3 GLU A 10 14.714 -3.215 1.710 1.00 0.00 H new ATOM 0 HG2 GLU A 10 14.307 -2.088 3.664 1.00 0.00 H new ATOM 0 HG3 GLU A 10 12.623 -2.573 3.687 1.00 0.00 H new ATOM 104 N TYR A 11 10.414 -4.249 0.907 1.00 0.00 N ATOM 105 CA TYR A 11 9.230 -5.084 1.262 1.00 0.00 C ATOM 106 C TYR A 11 9.405 -6.482 0.660 1.00 0.00 C ATOM 107 O TYR A 11 10.261 -6.688 -0.179 1.00 0.00 O ATOM 108 CB TYR A 11 7.962 -4.431 0.708 1.00 0.00 C ATOM 109 CG TYR A 11 7.343 -3.560 1.775 1.00 0.00 C ATOM 110 CD1 TYR A 11 7.927 -2.327 2.092 1.00 0.00 C ATOM 111 CD2 TYR A 11 6.195 -3.986 2.454 1.00 0.00 C ATOM 112 CE1 TYR A 11 7.361 -1.519 3.086 1.00 0.00 C ATOM 113 CE2 TYR A 11 5.629 -3.178 3.449 1.00 0.00 C ATOM 114 CZ TYR A 11 6.213 -1.944 3.764 1.00 0.00 C ATOM 115 OH TYR A 11 5.658 -1.146 4.745 1.00 0.00 O ATOM 0 H TYR A 11 10.376 -3.815 -0.015 1.00 0.00 H new ATOM 0 HA TYR A 11 9.144 -5.165 2.346 1.00 0.00 H new ATOM 0 HB2 TYR A 11 8.201 -3.834 -0.172 1.00 0.00 H new ATOM 0 HB3 TYR A 11 7.254 -5.196 0.391 1.00 0.00 H new ATOM 0 HD1 TYR A 11 8.814 -1.999 1.570 1.00 0.00 H new ATOM 0 HD2 TYR A 11 5.746 -4.938 2.211 1.00 0.00 H new ATOM 0 HE1 TYR A 11 7.811 -0.568 3.329 1.00 0.00 H new ATOM 0 HE2 TYR A 11 4.743 -3.506 3.973 1.00 0.00 H new ATOM 0 HH TYR A 11 5.836 -0.204 4.540 1.00 0.00 H new ATOM 125 N PRO A 12 8.593 -7.405 1.108 1.00 0.00 N ATOM 126 CA PRO A 12 7.554 -7.148 2.126 1.00 0.00 C ATOM 127 C PRO A 12 8.172 -7.086 3.527 1.00 0.00 C ATOM 128 O PRO A 12 9.355 -7.296 3.705 1.00 0.00 O ATOM 129 CB PRO A 12 6.620 -8.355 1.995 1.00 0.00 C ATOM 130 CG PRO A 12 7.452 -9.484 1.343 1.00 0.00 C ATOM 131 CD PRO A 12 8.640 -8.802 0.635 1.00 0.00 C ATOM 0 HA PRO A 12 7.041 -6.197 1.982 1.00 0.00 H new ATOM 0 HB2 PRO A 12 6.245 -8.663 2.971 1.00 0.00 H new ATOM 0 HB3 PRO A 12 5.752 -8.110 1.383 1.00 0.00 H new ATOM 0 HG2 PRO A 12 7.803 -10.191 2.095 1.00 0.00 H new ATOM 0 HG3 PRO A 12 6.849 -10.049 0.632 1.00 0.00 H new ATOM 0 HD2 PRO A 12 9.585 -9.279 0.895 1.00 0.00 H new ATOM 0 HD3 PRO A 12 8.543 -8.858 -0.449 1.00 0.00 H new ATOM 139 N LYS A 13 7.373 -6.799 4.518 1.00 0.00 N ATOM 140 CA LYS A 13 7.905 -6.720 5.907 1.00 0.00 C ATOM 141 C LYS A 13 7.211 -7.769 6.782 1.00 0.00 C ATOM 142 O LYS A 13 6.167 -8.277 6.426 1.00 0.00 O ATOM 143 CB LYS A 13 7.636 -5.325 6.472 1.00 0.00 C ATOM 144 CG LYS A 13 8.652 -4.336 5.899 1.00 0.00 C ATOM 145 CD LYS A 13 8.274 -2.914 6.320 1.00 0.00 C ATOM 146 CE LYS A 13 9.527 -2.164 6.772 1.00 0.00 C ATOM 147 NZ LYS A 13 9.864 -1.114 5.767 1.00 0.00 N ATOM 0 H LYS A 13 6.374 -6.616 4.425 1.00 0.00 H new ATOM 0 HA LYS A 13 8.978 -6.910 5.898 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.624 -5.009 6.221 1.00 0.00 H new ATOM 0 HB3 LYS A 13 7.704 -5.343 7.560 1.00 0.00 H new ATOM 0 HG2 LYS A 13 9.653 -4.578 6.256 1.00 0.00 H new ATOM 0 HG3 LYS A 13 8.675 -4.411 4.812 1.00 0.00 H new ATOM 0 HD2 LYS A 13 7.804 -2.390 5.488 1.00 0.00 H new ATOM 0 HD3 LYS A 13 7.544 -2.945 7.129 1.00 0.00 H new ATOM 0 HE2 LYS A 13 9.360 -1.709 7.748 1.00 0.00 H new ATOM 0 HE3 LYS A 13 10.360 -2.858 6.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 10.716 -0.602 6.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 10.040 -1.560 4.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 9.071 -0.447 5.683 1.00 0.00 H new ATOM 161 N PRO A 14 7.819 -8.064 7.904 1.00 0.00 N ATOM 162 CA PRO A 14 7.290 -9.053 8.859 1.00 0.00 C ATOM 163 C PRO A 14 6.141 -8.458 9.676 1.00 0.00 C ATOM 164 O PRO A 14 5.402 -9.168 10.330 1.00 0.00 O ATOM 165 CB PRO A 14 8.491 -9.366 9.755 1.00 0.00 C ATOM 166 CG PRO A 14 9.449 -8.157 9.637 1.00 0.00 C ATOM 167 CD PRO A 14 9.090 -7.438 8.324 1.00 0.00 C ATOM 0 HA PRO A 14 6.883 -9.939 8.371 1.00 0.00 H new ATOM 0 HB2 PRO A 14 8.177 -9.514 10.788 1.00 0.00 H new ATOM 0 HB3 PRO A 14 8.984 -10.285 9.437 1.00 0.00 H new ATOM 0 HG2 PRO A 14 9.334 -7.487 10.489 1.00 0.00 H new ATOM 0 HG3 PRO A 14 10.488 -8.486 9.627 1.00 0.00 H new ATOM 0 HD2 PRO A 14 8.974 -6.365 8.476 1.00 0.00 H new ATOM 0 HD3 PRO A 14 9.867 -7.571 7.572 1.00 0.00 H new ATOM 175 N ALA A 15 5.982 -7.162 9.652 1.00 0.00 N ATOM 176 CA ALA A 15 4.877 -6.537 10.433 1.00 0.00 C ATOM 177 C ALA A 15 4.518 -5.179 9.826 1.00 0.00 C ATOM 178 O ALA A 15 5.121 -4.736 8.869 1.00 0.00 O ATOM 179 CB ALA A 15 5.328 -6.343 11.884 1.00 0.00 C ATOM 0 H ALA A 15 6.567 -6.512 9.127 1.00 0.00 H new ATOM 0 HA ALA A 15 4.002 -7.187 10.404 1.00 0.00 H new ATOM 0 HB1 ALA A 15 4.522 -5.886 12.458 1.00 0.00 H new ATOM 0 HB2 ALA A 15 5.580 -7.310 12.319 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.204 -5.695 11.909 1.00 0.00 H new ATOM 185 N CYS A 16 3.541 -4.513 10.380 1.00 0.00 N ATOM 186 CA CYS A 16 3.145 -3.183 9.836 1.00 0.00 C ATOM 187 C CYS A 16 3.354 -2.111 10.908 1.00 0.00 C ATOM 188 O CYS A 16 3.648 -2.408 12.050 1.00 0.00 O ATOM 189 CB CYS A 16 1.672 -3.214 9.419 1.00 0.00 C ATOM 190 SG CYS A 16 1.480 -4.247 7.946 1.00 0.00 S ATOM 0 H CYS A 16 3.001 -4.832 11.184 1.00 0.00 H new ATOM 0 HA CYS A 16 3.759 -2.950 8.966 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.061 -3.606 10.232 1.00 0.00 H new ATOM 0 HB3 CYS A 16 1.320 -2.203 9.215 1.00 0.00 H new ATOM 195 N THR A 17 3.214 -0.869 10.544 1.00 0.00 N ATOM 196 CA THR A 17 3.414 0.227 11.534 1.00 0.00 C ATOM 197 C THR A 17 2.057 0.747 12.015 1.00 0.00 C ATOM 198 O THR A 17 1.023 0.394 11.488 1.00 0.00 O ATOM 199 CB THR A 17 4.189 1.366 10.864 1.00 0.00 C ATOM 200 OG1 THR A 17 3.483 1.816 9.715 1.00 0.00 O ATOM 201 CG2 THR A 17 5.573 0.864 10.452 1.00 0.00 C ATOM 0 H THR A 17 2.969 -0.563 9.602 1.00 0.00 H new ATOM 0 HA THR A 17 3.973 -0.151 12.390 1.00 0.00 H new ATOM 0 HB THR A 17 4.295 2.193 11.565 1.00 0.00 H new ATOM 0 HG1 THR A 17 3.981 2.546 9.290 1.00 0.00 H new ATOM 0 HG21 THR A 17 6.126 1.673 9.975 1.00 0.00 H new ATOM 0 HG22 THR A 17 6.115 0.525 11.335 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.466 0.035 9.752 1.00 0.00 H new ATOM 209 N MET A 18 2.058 1.584 13.016 1.00 0.00 N ATOM 210 CA MET A 18 0.774 2.132 13.534 1.00 0.00 C ATOM 211 C MET A 18 0.425 3.412 12.774 1.00 0.00 C ATOM 212 O MET A 18 -0.437 4.169 13.172 1.00 0.00 O ATOM 213 CB MET A 18 0.918 2.444 15.025 1.00 0.00 C ATOM 214 CG MET A 18 0.207 1.365 15.843 1.00 0.00 C ATOM 215 SD MET A 18 -1.162 2.109 16.763 1.00 0.00 S ATOM 216 CE MET A 18 -2.316 0.724 16.610 1.00 0.00 C ATOM 0 H MET A 18 2.895 1.912 13.498 1.00 0.00 H new ATOM 0 HA MET A 18 -0.020 1.398 13.393 1.00 0.00 H new ATOM 0 HB2 MET A 18 1.972 2.487 15.298 1.00 0.00 H new ATOM 0 HB3 MET A 18 0.492 3.423 15.245 1.00 0.00 H new ATOM 0 HG2 MET A 18 -0.167 0.581 15.184 1.00 0.00 H new ATOM 0 HG3 MET A 18 0.909 0.894 16.532 1.00 0.00 H new ATOM 0 HE1 MET A 18 -3.249 0.970 17.117 1.00 0.00 H new ATOM 0 HE2 MET A 18 -2.515 0.531 15.556 1.00 0.00 H new ATOM 0 HE3 MET A 18 -1.880 -0.165 17.065 1.00 0.00 H new ATOM 226 N GLU A 19 1.090 3.657 11.679 1.00 0.00 N ATOM 227 CA GLU A 19 0.800 4.885 10.888 1.00 0.00 C ATOM 228 C GLU A 19 -0.512 4.693 10.124 1.00 0.00 C ATOM 229 O GLU A 19 -0.620 3.841 9.265 1.00 0.00 O ATOM 230 CB GLU A 19 1.943 5.132 9.895 1.00 0.00 C ATOM 231 CG GLU A 19 1.498 6.137 8.829 1.00 0.00 C ATOM 232 CD GLU A 19 2.708 6.572 8.003 1.00 0.00 C ATOM 233 OE1 GLU A 19 3.483 7.374 8.499 1.00 0.00 O ATOM 234 OE2 GLU A 19 2.841 6.097 6.885 1.00 0.00 O ATOM 0 H GLU A 19 1.823 3.059 11.298 1.00 0.00 H new ATOM 0 HA GLU A 19 0.710 5.742 11.556 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.819 5.511 10.422 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.236 4.194 9.423 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.745 5.687 8.182 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.036 7.004 9.301 1.00 0.00 H new ATOM 241 N TYR A 20 -1.507 5.480 10.428 1.00 0.00 N ATOM 242 CA TYR A 20 -2.805 5.339 9.713 1.00 0.00 C ATOM 243 C TYR A 20 -2.720 6.050 8.365 1.00 0.00 C ATOM 244 O TYR A 20 -2.545 7.251 8.290 1.00 0.00 O ATOM 245 CB TYR A 20 -3.920 5.962 10.550 1.00 0.00 C ATOM 246 CG TYR A 20 -5.195 5.176 10.363 1.00 0.00 C ATOM 247 CD1 TYR A 20 -5.574 4.750 9.083 1.00 0.00 C ATOM 248 CD2 TYR A 20 -6.000 4.873 11.466 1.00 0.00 C ATOM 249 CE1 TYR A 20 -6.758 4.024 8.909 1.00 0.00 C ATOM 250 CE2 TYR A 20 -7.185 4.147 11.292 1.00 0.00 C ATOM 251 CZ TYR A 20 -7.563 3.723 10.013 1.00 0.00 C ATOM 252 OH TYR A 20 -8.731 3.008 9.840 1.00 0.00 O ATOM 0 H TYR A 20 -1.477 6.212 11.138 1.00 0.00 H new ATOM 0 HA TYR A 20 -3.020 4.282 9.554 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -3.637 5.970 11.603 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -4.074 7.000 10.254 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -4.953 4.982 8.231 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -5.707 5.199 12.453 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -7.050 3.696 7.922 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -7.807 3.915 12.144 1.00 0.00 H new ATOM 0 HH TYR A 20 -9.170 2.884 10.707 1.00 0.00 H new ATOM 262 N ARG A 21 -2.836 5.312 7.299 1.00 0.00 N ATOM 263 CA ARG A 21 -2.759 5.930 5.947 1.00 0.00 C ATOM 264 C ARG A 21 -3.567 5.082 4.955 1.00 0.00 C ATOM 265 O ARG A 21 -3.143 4.007 4.582 1.00 0.00 O ATOM 266 CB ARG A 21 -1.297 5.978 5.496 1.00 0.00 C ATOM 267 CG ARG A 21 -1.026 7.305 4.783 1.00 0.00 C ATOM 268 CD ARG A 21 -0.069 8.151 5.625 1.00 0.00 C ATOM 269 NE ARG A 21 0.855 8.898 4.725 1.00 0.00 N ATOM 270 CZ ARG A 21 1.733 9.722 5.229 1.00 0.00 C ATOM 271 NH1 ARG A 21 2.775 9.257 5.864 1.00 0.00 N ATOM 272 NH2 ARG A 21 1.571 11.011 5.096 1.00 0.00 N ATOM 0 H ARG A 21 -2.982 4.302 7.305 1.00 0.00 H new ATOM 0 HA ARG A 21 -3.166 6.941 5.982 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -0.636 5.874 6.357 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.084 5.144 4.828 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -0.595 7.120 3.799 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -1.961 7.843 4.625 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -0.632 8.848 6.245 1.00 0.00 H new ATOM 0 HD3 ARG A 21 0.501 7.512 6.300 1.00 0.00 H new ATOM 0 HE ARG A 21 0.801 8.765 3.715 1.00 0.00 H new ATOM 0 HH11 ARG A 21 2.903 8.250 5.966 1.00 0.00 H new ATOM 0 HH12 ARG A 21 3.461 9.901 6.258 1.00 0.00 H new ATOM 0 HH21 ARG A 21 0.758 11.374 4.598 1.00 0.00 H new ATOM 0 HH22 ARG A 21 2.257 11.655 5.490 1.00 0.00 H new ATOM 286 N PRO A 22 -4.710 5.588 4.562 1.00 0.00 N ATOM 287 CA PRO A 22 -5.599 4.888 3.619 1.00 0.00 C ATOM 288 C PRO A 22 -5.077 5.024 2.182 1.00 0.00 C ATOM 289 O PRO A 22 -4.992 6.108 1.641 1.00 0.00 O ATOM 290 CB PRO A 22 -6.939 5.611 3.787 1.00 0.00 C ATOM 291 CG PRO A 22 -6.615 7.006 4.371 1.00 0.00 C ATOM 292 CD PRO A 22 -5.221 6.897 5.018 1.00 0.00 C ATOM 0 HA PRO A 22 -5.670 3.818 3.812 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -7.454 5.701 2.830 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -7.599 5.055 4.453 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -6.621 7.765 3.589 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -7.362 7.301 5.107 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -4.570 7.711 4.700 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -5.282 6.944 6.105 1.00 0.00 H new ATOM 300 N LEU A 23 -4.730 3.926 1.563 1.00 0.00 N ATOM 301 CA LEU A 23 -4.217 3.991 0.160 1.00 0.00 C ATOM 302 C LEU A 23 -5.196 3.277 -0.776 1.00 0.00 C ATOM 303 O LEU A 23 -5.570 2.143 -0.548 1.00 0.00 O ATOM 304 CB LEU A 23 -2.848 3.306 0.077 1.00 0.00 C ATOM 305 CG LEU A 23 -1.896 3.922 1.104 1.00 0.00 C ATOM 306 CD1 LEU A 23 -0.526 3.252 0.990 1.00 0.00 C ATOM 307 CD2 LEU A 23 -1.754 5.423 0.836 1.00 0.00 C ATOM 0 H LEU A 23 -4.779 2.990 1.965 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.119 5.035 -0.138 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.954 2.237 0.262 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.436 3.417 -0.926 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.295 3.770 2.107 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.155 3.689 1.721 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.626 2.184 1.181 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.128 3.405 -0.013 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.076 5.861 1.568 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.355 5.577 -0.166 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.731 5.901 0.915 1.00 0.00 H new ATOM 319 N CYS A 24 -5.610 3.924 -1.831 1.00 0.00 N ATOM 320 CA CYS A 24 -6.561 3.270 -2.774 1.00 0.00 C ATOM 321 C CYS A 24 -5.777 2.514 -3.843 1.00 0.00 C ATOM 322 O CYS A 24 -5.460 3.063 -4.876 1.00 0.00 O ATOM 323 CB CYS A 24 -7.416 4.330 -3.469 1.00 0.00 C ATOM 324 SG CYS A 24 -8.793 3.526 -4.325 1.00 0.00 S ATOM 0 H CYS A 24 -5.332 4.873 -2.080 1.00 0.00 H new ATOM 0 HA CYS A 24 -7.198 2.586 -2.213 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -7.795 5.044 -2.738 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -6.811 4.893 -4.180 1.00 0.00 H new ATOM 329 N GLY A 25 -5.464 1.266 -3.616 1.00 0.00 N ATOM 330 CA GLY A 25 -4.704 0.499 -4.646 1.00 0.00 C ATOM 331 C GLY A 25 -5.329 0.757 -6.020 1.00 0.00 C ATOM 332 O GLY A 25 -6.524 0.945 -6.135 1.00 0.00 O ATOM 0 H GLY A 25 -5.699 0.748 -2.769 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -3.657 0.803 -4.645 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -4.727 -0.566 -4.416 1.00 0.00 H new ATOM 336 N SER A 26 -4.539 0.774 -7.061 1.00 0.00 N ATOM 337 CA SER A 26 -5.098 1.031 -8.420 1.00 0.00 C ATOM 338 C SER A 26 -6.254 0.069 -8.717 1.00 0.00 C ATOM 339 O SER A 26 -7.035 0.290 -9.621 1.00 0.00 O ATOM 340 CB SER A 26 -3.999 0.826 -9.460 1.00 0.00 C ATOM 341 OG SER A 26 -4.576 0.332 -10.661 1.00 0.00 O ATOM 0 H SER A 26 -3.531 0.621 -7.029 1.00 0.00 H new ATOM 0 HA SER A 26 -5.471 2.054 -8.460 1.00 0.00 H new ATOM 0 HB2 SER A 26 -3.483 1.767 -9.651 1.00 0.00 H new ATOM 0 HB3 SER A 26 -3.254 0.124 -9.085 1.00 0.00 H new ATOM 0 HG SER A 26 -3.965 0.498 -11.409 1.00 0.00 H new ATOM 347 N ASP A 27 -6.371 -1.000 -7.978 1.00 0.00 N ATOM 348 CA ASP A 27 -7.479 -1.964 -8.246 1.00 0.00 C ATOM 349 C ASP A 27 -8.727 -1.561 -7.455 1.00 0.00 C ATOM 350 O ASP A 27 -9.591 -2.369 -7.184 1.00 0.00 O ATOM 351 CB ASP A 27 -7.044 -3.374 -7.842 1.00 0.00 C ATOM 352 CG ASP A 27 -7.079 -3.514 -6.319 1.00 0.00 C ATOM 353 OD1 ASP A 27 -6.585 -2.620 -5.653 1.00 0.00 O ATOM 354 OD2 ASP A 27 -7.599 -4.511 -5.848 1.00 0.00 O ATOM 0 H ASP A 27 -5.753 -1.248 -7.205 1.00 0.00 H new ATOM 0 HA ASP A 27 -7.714 -1.950 -9.310 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -7.703 -4.112 -8.299 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -6.038 -3.573 -8.211 1.00 0.00 H new ATOM 359 N ASN A 28 -8.829 -0.314 -7.089 1.00 0.00 N ATOM 360 CA ASN A 28 -10.023 0.147 -6.324 1.00 0.00 C ATOM 361 C ASN A 28 -10.071 -0.544 -4.959 1.00 0.00 C ATOM 362 O ASN A 28 -11.128 -0.856 -4.449 1.00 0.00 O ATOM 363 CB ASN A 28 -11.293 -0.194 -7.107 1.00 0.00 C ATOM 364 CG ASN A 28 -12.396 0.806 -6.751 1.00 0.00 C ATOM 365 OD1 ASN A 28 -12.370 1.401 -5.589 1.00 0.00 O flip ATOM 366 ND2 ASN A 28 -13.291 1.047 -7.537 1.00 0.00 N flip ATOM 0 H ASN A 28 -8.136 0.408 -7.287 1.00 0.00 H new ATOM 0 HA ASN A 28 -9.957 1.225 -6.178 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -11.092 -0.164 -8.178 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -11.617 -1.208 -6.872 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -13.311 0.582 -8.445 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -14.022 1.714 -7.289 1.00 0.00 H new ATOM 373 N LYS A 29 -8.937 -0.783 -4.357 1.00 0.00 N ATOM 374 CA LYS A 29 -8.935 -1.450 -3.022 1.00 0.00 C ATOM 375 C LYS A 29 -8.478 -0.457 -1.954 1.00 0.00 C ATOM 376 O LYS A 29 -7.712 0.447 -2.221 1.00 0.00 O ATOM 377 CB LYS A 29 -7.978 -2.642 -3.040 1.00 0.00 C ATOM 378 CG LYS A 29 -8.697 -3.867 -3.609 1.00 0.00 C ATOM 379 CD LYS A 29 -9.753 -4.348 -2.611 1.00 0.00 C ATOM 380 CE LYS A 29 -10.951 -4.923 -3.370 1.00 0.00 C ATOM 381 NZ LYS A 29 -11.112 -6.364 -3.022 1.00 0.00 N ATOM 0 H LYS A 29 -8.017 -0.547 -4.729 1.00 0.00 H new ATOM 0 HA LYS A 29 -9.943 -1.796 -2.795 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.101 -2.409 -3.644 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.623 -2.852 -2.031 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -9.167 -3.617 -4.560 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -7.980 -4.663 -3.808 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -9.328 -5.106 -1.953 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -10.074 -3.521 -1.978 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -11.856 -4.372 -3.114 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.803 -4.811 -4.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.926 -6.757 -3.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -10.251 -6.884 -3.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.272 -6.458 -1.999 1.00 0.00 H new ATOM 395 N THR A 30 -8.941 -0.620 -0.745 1.00 0.00 N ATOM 396 CA THR A 30 -8.528 0.312 0.339 1.00 0.00 C ATOM 397 C THR A 30 -7.413 -0.332 1.162 1.00 0.00 C ATOM 398 O THR A 30 -7.463 -1.501 1.489 1.00 0.00 O ATOM 399 CB THR A 30 -9.724 0.616 1.244 1.00 0.00 C ATOM 400 OG1 THR A 30 -10.643 1.444 0.544 1.00 0.00 O ATOM 401 CG2 THR A 30 -9.239 1.338 2.501 1.00 0.00 C ATOM 0 H THR A 30 -9.586 -1.358 -0.462 1.00 0.00 H new ATOM 0 HA THR A 30 -8.167 1.242 -0.101 1.00 0.00 H new ATOM 0 HB THR A 30 -10.215 -0.314 1.528 1.00 0.00 H new ATOM 0 HG1 THR A 30 -10.292 1.640 -0.350 1.00 0.00 H new ATOM 0 HG21 THR A 30 -10.090 1.555 3.147 1.00 0.00 H new ATOM 0 HG22 THR A 30 -8.531 0.704 3.035 1.00 0.00 H new ATOM 0 HG23 THR A 30 -8.750 2.270 2.219 1.00 0.00 H new ATOM 409 N TYR A 31 -6.400 0.420 1.490 1.00 0.00 N ATOM 410 CA TYR A 31 -5.274 -0.138 2.278 1.00 0.00 C ATOM 411 C TYR A 31 -5.208 0.550 3.638 1.00 0.00 C ATOM 412 O TYR A 31 -5.805 1.587 3.853 1.00 0.00 O ATOM 413 CB TYR A 31 -3.983 0.099 1.513 1.00 0.00 C ATOM 414 CG TYR A 31 -3.835 -0.959 0.446 1.00 0.00 C ATOM 415 CD1 TYR A 31 -3.686 -2.303 0.808 1.00 0.00 C ATOM 416 CD2 TYR A 31 -3.856 -0.595 -0.906 1.00 0.00 C ATOM 417 CE1 TYR A 31 -3.558 -3.285 -0.182 1.00 0.00 C ATOM 418 CE2 TYR A 31 -3.730 -1.577 -1.895 1.00 0.00 C ATOM 419 CZ TYR A 31 -3.581 -2.921 -1.533 1.00 0.00 C ATOM 420 OH TYR A 31 -3.461 -3.890 -2.506 1.00 0.00 O ATOM 0 H TYR A 31 -6.306 1.405 1.242 1.00 0.00 H new ATOM 0 HA TYR A 31 -5.420 -1.207 2.434 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -3.992 1.090 1.060 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -3.132 0.067 2.194 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -3.670 -2.583 1.851 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -3.969 0.442 -1.185 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -3.442 -4.322 0.097 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -3.748 -1.298 -2.938 1.00 0.00 H new ATOM 0 HH TYR A 31 -3.987 -3.632 -3.292 1.00 0.00 H new ATOM 430 N GLY A 32 -4.490 -0.028 4.558 1.00 0.00 N ATOM 431 CA GLY A 32 -4.383 0.571 5.915 1.00 0.00 C ATOM 432 C GLY A 32 -3.146 1.462 5.993 1.00 0.00 C ATOM 433 O GLY A 32 -3.063 2.341 6.824 1.00 0.00 O ATOM 0 H GLY A 32 -3.969 -0.895 4.427 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -5.277 1.154 6.136 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -4.323 -0.217 6.666 1.00 0.00 H new ATOM 437 N ASN A 33 -2.188 1.248 5.135 1.00 0.00 N ATOM 438 CA ASN A 33 -0.964 2.097 5.174 1.00 0.00 C ATOM 439 C ASN A 33 0.077 1.567 4.186 1.00 0.00 C ATOM 440 O ASN A 33 -0.146 0.608 3.475 1.00 0.00 O ATOM 441 CB ASN A 33 -0.366 2.092 6.586 1.00 0.00 C ATOM 442 CG ASN A 33 -0.108 0.652 7.039 1.00 0.00 C ATOM 443 OD1 ASN A 33 -0.383 -0.284 6.315 1.00 0.00 O ATOM 444 ND2 ASN A 33 0.418 0.438 8.216 1.00 0.00 N ATOM 0 H ASN A 33 -2.198 0.527 4.413 1.00 0.00 H new ATOM 0 HA ASN A 33 -1.240 3.115 4.898 1.00 0.00 H new ATOM 0 HB2 ASN A 33 0.565 2.658 6.598 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -1.047 2.584 7.280 1.00 0.00 H new ATOM 0 HD21 ASN A 33 0.598 -0.516 8.528 1.00 0.00 H new ATOM 0 HD22 ASN A 33 0.648 1.225 8.822 1.00 0.00 H new ATOM 451 N LYS A 34 1.212 2.202 4.141 1.00 0.00 N ATOM 452 CA LYS A 34 2.293 1.772 3.211 1.00 0.00 C ATOM 453 C LYS A 34 2.664 0.312 3.476 1.00 0.00 C ATOM 454 O LYS A 34 3.257 -0.343 2.644 1.00 0.00 O ATOM 455 CB LYS A 34 3.527 2.650 3.430 1.00 0.00 C ATOM 456 CG LYS A 34 3.383 3.953 2.641 1.00 0.00 C ATOM 457 CD LYS A 34 4.750 4.632 2.529 1.00 0.00 C ATOM 458 CE LYS A 34 4.896 5.674 3.640 1.00 0.00 C ATOM 459 NZ LYS A 34 6.335 6.039 3.793 1.00 0.00 N ATOM 0 H LYS A 34 1.441 3.012 4.717 1.00 0.00 H new ATOM 0 HA LYS A 34 1.940 1.872 2.185 1.00 0.00 H new ATOM 0 HB2 LYS A 34 3.646 2.868 4.491 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.424 2.119 3.112 1.00 0.00 H new ATOM 0 HG2 LYS A 34 2.984 3.748 1.648 1.00 0.00 H new ATOM 0 HG3 LYS A 34 2.675 4.616 3.138 1.00 0.00 H new ATOM 0 HD2 LYS A 34 5.544 3.889 2.606 1.00 0.00 H new ATOM 0 HD3 LYS A 34 4.852 5.108 1.554 1.00 0.00 H new ATOM 0 HE2 LYS A 34 4.308 6.560 3.402 1.00 0.00 H new ATOM 0 HE3 LYS A 34 4.508 5.278 4.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 6.435 6.747 4.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 6.884 5.191 4.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 6.690 6.434 2.899 1.00 0.00 H new ATOM 473 N CYS A 35 2.332 -0.210 4.625 1.00 0.00 N ATOM 474 CA CYS A 35 2.686 -1.629 4.910 1.00 0.00 C ATOM 475 C CYS A 35 1.705 -2.547 4.186 1.00 0.00 C ATOM 476 O CYS A 35 2.073 -3.582 3.667 1.00 0.00 O ATOM 477 CB CYS A 35 2.618 -1.895 6.413 1.00 0.00 C ATOM 478 SG CYS A 35 2.967 -3.645 6.720 1.00 0.00 S ATOM 0 H CYS A 35 1.837 0.278 5.371 1.00 0.00 H new ATOM 0 HA CYS A 35 3.700 -1.823 4.561 1.00 0.00 H new ATOM 0 HB2 CYS A 35 3.340 -1.270 6.939 1.00 0.00 H new ATOM 0 HB3 CYS A 35 1.631 -1.635 6.797 1.00 0.00 H new ATOM 483 N ASN A 36 0.458 -2.173 4.143 1.00 0.00 N ATOM 484 CA ASN A 36 -0.548 -3.014 3.451 1.00 0.00 C ATOM 485 C ASN A 36 -0.500 -2.717 1.949 1.00 0.00 C ATOM 486 O ASN A 36 -1.078 -3.423 1.146 1.00 0.00 O ATOM 487 CB ASN A 36 -1.931 -2.675 4.000 1.00 0.00 C ATOM 488 CG ASN A 36 -2.670 -3.965 4.363 1.00 0.00 C ATOM 489 OD1 ASN A 36 -3.581 -4.374 3.671 1.00 0.00 O ATOM 490 ND2 ASN A 36 -2.311 -4.627 5.430 1.00 0.00 N ATOM 0 H ASN A 36 0.093 -1.317 4.560 1.00 0.00 H new ATOM 0 HA ASN A 36 -0.337 -4.070 3.617 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -1.838 -2.038 4.879 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -2.500 -2.114 3.259 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -2.796 -5.488 5.683 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -1.546 -4.283 6.010 1.00 0.00 H new ATOM 497 N PHE A 37 0.187 -1.674 1.568 1.00 0.00 N ATOM 498 CA PHE A 37 0.277 -1.321 0.123 1.00 0.00 C ATOM 499 C PHE A 37 1.489 -2.014 -0.507 1.00 0.00 C ATOM 500 O PHE A 37 1.396 -2.620 -1.556 1.00 0.00 O ATOM 501 CB PHE A 37 0.428 0.195 -0.016 1.00 0.00 C ATOM 502 CG PHE A 37 0.275 0.583 -1.467 1.00 0.00 C ATOM 503 CD1 PHE A 37 -0.798 0.081 -2.213 1.00 0.00 C ATOM 504 CD2 PHE A 37 1.206 1.439 -2.066 1.00 0.00 C ATOM 505 CE1 PHE A 37 -0.940 0.437 -3.559 1.00 0.00 C ATOM 506 CE2 PHE A 37 1.064 1.793 -3.413 1.00 0.00 C ATOM 507 CZ PHE A 37 -0.009 1.294 -4.159 1.00 0.00 C ATOM 0 H PHE A 37 0.691 -1.050 2.198 1.00 0.00 H new ATOM 0 HA PHE A 37 -0.628 -1.650 -0.387 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -0.323 0.703 0.589 1.00 0.00 H new ATOM 0 HB3 PHE A 37 1.403 0.510 0.355 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -1.516 -0.580 -1.750 1.00 0.00 H new ATOM 0 HD2 PHE A 37 2.033 1.826 -1.490 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -1.768 0.051 -4.135 1.00 0.00 H new ATOM 0 HE2 PHE A 37 1.783 2.452 -3.877 1.00 0.00 H new ATOM 0 HZ PHE A 37 -0.119 1.570 -5.197 1.00 0.00 H new ATOM 517 N CYS A 38 2.627 -1.927 0.123 1.00 0.00 N ATOM 518 CA CYS A 38 3.843 -2.576 -0.440 1.00 0.00 C ATOM 519 C CYS A 38 3.703 -4.095 -0.322 1.00 0.00 C ATOM 520 O CYS A 38 4.242 -4.841 -1.115 1.00 0.00 O ATOM 521 CB CYS A 38 5.075 -2.111 0.337 1.00 0.00 C ATOM 522 SG CYS A 38 5.296 -0.327 0.116 1.00 0.00 S ATOM 0 H CYS A 38 2.767 -1.434 1.005 1.00 0.00 H new ATOM 0 HA CYS A 38 3.955 -2.301 -1.489 1.00 0.00 H new ATOM 0 HB2 CYS A 38 4.959 -2.345 1.395 1.00 0.00 H new ATOM 0 HB3 CYS A 38 5.960 -2.643 -0.012 1.00 0.00 H new ATOM 527 N ASN A 39 2.976 -4.559 0.659 1.00 0.00 N ATOM 528 CA ASN A 39 2.798 -6.029 0.817 1.00 0.00 C ATOM 529 C ASN A 39 1.772 -6.513 -0.201 1.00 0.00 C ATOM 530 O ASN A 39 1.975 -7.497 -0.882 1.00 0.00 O ATOM 531 CB ASN A 39 2.312 -6.349 2.233 1.00 0.00 C ATOM 532 CG ASN A 39 3.485 -6.855 3.075 1.00 0.00 C ATOM 533 OD1 ASN A 39 4.424 -6.126 3.329 1.00 0.00 O ATOM 534 ND2 ASN A 39 3.473 -8.081 3.522 1.00 0.00 N ATOM 0 H ASN A 39 2.500 -3.985 1.355 1.00 0.00 H new ATOM 0 HA ASN A 39 3.750 -6.533 0.652 1.00 0.00 H new ATOM 0 HB2 ASN A 39 1.880 -5.459 2.690 1.00 0.00 H new ATOM 0 HB3 ASN A 39 1.525 -7.102 2.197 1.00 0.00 H new ATOM 0 HD21 ASN A 39 4.251 -8.427 4.084 1.00 0.00 H new ATOM 0 HD22 ASN A 39 2.686 -8.694 3.310 1.00 0.00 H new ATOM 541 N ALA A 40 0.680 -5.815 -0.332 1.00 0.00 N ATOM 542 CA ALA A 40 -0.333 -6.228 -1.335 1.00 0.00 C ATOM 543 C ALA A 40 0.363 -6.262 -2.689 1.00 0.00 C ATOM 544 O ALA A 40 -0.015 -6.989 -3.587 1.00 0.00 O ATOM 545 CB ALA A 40 -1.479 -5.215 -1.365 1.00 0.00 C ATOM 0 H ALA A 40 0.448 -4.982 0.209 1.00 0.00 H new ATOM 0 HA ALA A 40 -0.748 -7.205 -1.087 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.219 -5.524 -2.103 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -1.947 -5.165 -0.382 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -1.089 -4.233 -1.632 1.00 0.00 H new ATOM 551 N VAL A 41 1.395 -5.477 -2.822 1.00 0.00 N ATOM 552 CA VAL A 41 2.158 -5.442 -4.098 1.00 0.00 C ATOM 553 C VAL A 41 3.005 -6.713 -4.210 1.00 0.00 C ATOM 554 O VAL A 41 3.187 -7.255 -5.282 1.00 0.00 O ATOM 555 CB VAL A 41 3.071 -4.211 -4.104 1.00 0.00 C ATOM 556 CG1 VAL A 41 4.141 -4.357 -5.188 1.00 0.00 C ATOM 557 CG2 VAL A 41 2.233 -2.960 -4.381 1.00 0.00 C ATOM 0 H VAL A 41 1.745 -4.853 -2.095 1.00 0.00 H new ATOM 0 HA VAL A 41 1.471 -5.388 -4.942 1.00 0.00 H new ATOM 0 HB VAL A 41 3.558 -4.122 -3.133 1.00 0.00 H new ATOM 0 HG11 VAL A 41 4.785 -3.477 -5.185 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.740 -5.246 -4.991 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.661 -4.452 -6.162 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.880 -2.083 -4.386 1.00 0.00 H new ATOM 0 HG22 VAL A 41 1.745 -3.056 -5.351 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.477 -2.849 -3.604 1.00 0.00 H new ATOM 567 N VAL A 42 3.524 -7.191 -3.111 1.00 0.00 N ATOM 568 CA VAL A 42 4.358 -8.427 -3.161 1.00 0.00 C ATOM 569 C VAL A 42 3.450 -9.658 -3.216 1.00 0.00 C ATOM 570 O VAL A 42 3.900 -10.763 -3.441 1.00 0.00 O ATOM 571 CB VAL A 42 5.237 -8.499 -1.912 1.00 0.00 C ATOM 572 CG1 VAL A 42 6.060 -9.788 -1.943 1.00 0.00 C ATOM 573 CG2 VAL A 42 6.182 -7.296 -1.880 1.00 0.00 C ATOM 0 H VAL A 42 3.407 -6.781 -2.184 1.00 0.00 H new ATOM 0 HA VAL A 42 4.988 -8.402 -4.050 1.00 0.00 H new ATOM 0 HB VAL A 42 4.605 -8.489 -1.024 1.00 0.00 H new ATOM 0 HG11 VAL A 42 6.687 -9.841 -1.053 1.00 0.00 H new ATOM 0 HG12 VAL A 42 5.390 -10.647 -1.966 1.00 0.00 H new ATOM 0 HG13 VAL A 42 6.690 -9.796 -2.832 1.00 0.00 H new ATOM 0 HG21 VAL A 42 6.808 -7.349 -0.989 1.00 0.00 H new ATOM 0 HG22 VAL A 42 6.814 -7.306 -2.768 1.00 0.00 H new ATOM 0 HG23 VAL A 42 5.599 -6.375 -1.860 1.00 0.00 H new ATOM 583 N GLU A 43 2.174 -9.477 -3.006 1.00 0.00 N ATOM 584 CA GLU A 43 1.241 -10.642 -3.042 1.00 0.00 C ATOM 585 C GLU A 43 0.525 -10.688 -4.394 1.00 0.00 C ATOM 586 O GLU A 43 0.053 -11.723 -4.820 1.00 0.00 O ATOM 587 CB GLU A 43 0.206 -10.500 -1.925 1.00 0.00 C ATOM 588 CG GLU A 43 0.922 -10.332 -0.583 1.00 0.00 C ATOM 589 CD GLU A 43 0.604 -11.527 0.318 1.00 0.00 C ATOM 590 OE1 GLU A 43 -0.567 -11.781 0.540 1.00 0.00 O ATOM 591 OE2 GLU A 43 1.539 -12.167 0.770 1.00 0.00 O ATOM 0 H GLU A 43 1.737 -8.576 -2.812 1.00 0.00 H new ATOM 0 HA GLU A 43 1.808 -11.562 -2.901 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -0.436 -9.640 -2.117 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -0.438 -11.379 -1.898 1.00 0.00 H new ATOM 0 HG2 GLU A 43 1.998 -10.257 -0.740 1.00 0.00 H new ATOM 0 HG3 GLU A 43 0.605 -9.406 -0.103 1.00 0.00 H new ATOM 598 N SER A 44 0.439 -9.577 -5.070 1.00 0.00 N ATOM 599 CA SER A 44 -0.249 -9.562 -6.390 1.00 0.00 C ATOM 600 C SER A 44 0.751 -9.905 -7.498 1.00 0.00 C ATOM 601 O SER A 44 0.424 -9.893 -8.666 1.00 0.00 O ATOM 602 CB SER A 44 -0.832 -8.172 -6.643 1.00 0.00 C ATOM 603 OG SER A 44 -2.009 -8.291 -7.432 1.00 0.00 O ATOM 0 H SER A 44 0.815 -8.679 -4.766 1.00 0.00 H new ATOM 0 HA SER A 44 -1.051 -10.300 -6.387 1.00 0.00 H new ATOM 0 HB2 SER A 44 -1.063 -7.685 -5.696 1.00 0.00 H new ATOM 0 HB3 SER A 44 -0.100 -7.546 -7.153 1.00 0.00 H new ATOM 0 HG SER A 44 -2.035 -7.568 -8.093 1.00 0.00 H new ATOM 609 N ASN A 45 1.969 -10.208 -7.141 1.00 0.00 N ATOM 610 CA ASN A 45 2.990 -10.549 -8.174 1.00 0.00 C ATOM 611 C ASN A 45 3.481 -9.267 -8.848 1.00 0.00 C ATOM 612 O ASN A 45 4.199 -9.304 -9.828 1.00 0.00 O ATOM 613 CB ASN A 45 2.369 -11.469 -9.226 1.00 0.00 C ATOM 614 CG ASN A 45 3.277 -12.679 -9.447 1.00 0.00 C ATOM 615 OD1 ASN A 45 2.888 -13.800 -9.188 1.00 0.00 O ATOM 616 ND2 ASN A 45 4.482 -12.500 -9.917 1.00 0.00 N ATOM 0 H ASN A 45 2.302 -10.234 -6.177 1.00 0.00 H new ATOM 0 HA ASN A 45 3.829 -11.056 -7.698 1.00 0.00 H new ATOM 0 HB2 ASN A 45 1.382 -11.797 -8.900 1.00 0.00 H new ATOM 0 HB3 ASN A 45 2.232 -10.928 -10.162 1.00 0.00 H new ATOM 0 HD21 ASN A 45 5.095 -13.301 -10.066 1.00 0.00 H new ATOM 0 HD22 ASN A 45 4.810 -11.559 -10.135 1.00 0.00 H new ATOM 623 N GLY A 46 3.104 -8.128 -8.331 1.00 0.00 N ATOM 624 CA GLY A 46 3.554 -6.846 -8.942 1.00 0.00 C ATOM 625 C GLY A 46 2.448 -6.275 -9.834 1.00 0.00 C ATOM 626 O GLY A 46 2.617 -5.251 -10.465 1.00 0.00 O ATOM 0 H GLY A 46 2.504 -8.031 -7.512 1.00 0.00 H new ATOM 0 HA2 GLY A 46 3.808 -6.130 -8.160 1.00 0.00 H new ATOM 0 HA3 GLY A 46 4.458 -7.011 -9.529 1.00 0.00 H new ATOM 630 N THR A 47 1.314 -6.924 -9.894 1.00 0.00 N ATOM 631 CA THR A 47 0.208 -6.403 -10.749 1.00 0.00 C ATOM 632 C THR A 47 -0.598 -5.367 -9.962 1.00 0.00 C ATOM 633 O THR A 47 -1.661 -4.950 -10.373 1.00 0.00 O ATOM 634 CB THR A 47 -0.711 -7.553 -11.171 1.00 0.00 C ATOM 635 OG1 THR A 47 -0.284 -8.753 -10.547 1.00 0.00 O ATOM 636 CG2 THR A 47 -0.655 -7.722 -12.691 1.00 0.00 C ATOM 0 H THR A 47 1.107 -7.787 -9.391 1.00 0.00 H new ATOM 0 HA THR A 47 0.631 -5.939 -11.640 1.00 0.00 H new ATOM 0 HB THR A 47 -1.734 -7.329 -10.868 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.493 -8.716 -9.590 1.00 0.00 H new ATOM 0 HG21 THR A 47 -1.309 -8.541 -12.990 1.00 0.00 H new ATOM 0 HG22 THR A 47 -0.983 -6.801 -13.172 1.00 0.00 H new ATOM 0 HG23 THR A 47 0.368 -7.945 -12.995 1.00 0.00 H new ATOM 644 N LEU A 48 -0.097 -4.947 -8.833 1.00 0.00 N ATOM 645 CA LEU A 48 -0.832 -3.935 -8.024 1.00 0.00 C ATOM 646 C LEU A 48 -0.298 -2.544 -8.352 1.00 0.00 C ATOM 647 O LEU A 48 0.787 -2.392 -8.878 1.00 0.00 O ATOM 648 CB LEU A 48 -0.626 -4.222 -6.537 1.00 0.00 C ATOM 649 CG LEU A 48 -1.981 -4.234 -5.833 1.00 0.00 C ATOM 650 CD1 LEU A 48 -2.832 -5.380 -6.385 1.00 0.00 C ATOM 651 CD2 LEU A 48 -1.772 -4.432 -4.332 1.00 0.00 C ATOM 0 H LEU A 48 0.789 -5.261 -8.436 1.00 0.00 H new ATOM 0 HA LEU A 48 -1.896 -3.983 -8.258 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.127 -5.182 -6.406 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.020 -3.464 -6.095 1.00 0.00 H new ATOM 0 HG LEU A 48 -2.491 -3.286 -6.008 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.799 -5.389 -5.883 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.980 -5.240 -7.456 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.323 -6.328 -6.210 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.738 -4.441 -3.828 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.263 -5.380 -4.157 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.165 -3.617 -3.938 1.00 0.00 H new ATOM 663 N THR A 49 -1.051 -1.525 -8.052 1.00 0.00 N ATOM 664 CA THR A 49 -0.582 -0.150 -8.354 1.00 0.00 C ATOM 665 C THR A 49 -1.152 0.837 -7.333 1.00 0.00 C ATOM 666 O THR A 49 -1.567 0.463 -6.254 1.00 0.00 O ATOM 667 CB THR A 49 -1.024 0.237 -9.757 1.00 0.00 C ATOM 668 OG1 THR A 49 -1.862 -0.780 -10.291 1.00 0.00 O ATOM 669 CG2 THR A 49 0.205 0.409 -10.651 1.00 0.00 C ATOM 0 H THR A 49 -1.969 -1.586 -7.612 1.00 0.00 H new ATOM 0 HA THR A 49 0.506 -0.120 -8.297 1.00 0.00 H new ATOM 0 HB THR A 49 -1.577 1.176 -9.716 1.00 0.00 H new ATOM 0 HG1 THR A 49 -2.147 -0.528 -11.194 1.00 0.00 H new ATOM 0 HG21 THR A 49 -0.112 0.686 -11.656 1.00 0.00 H new ATOM 0 HG22 THR A 49 0.845 1.192 -10.243 1.00 0.00 H new ATOM 0 HG23 THR A 49 0.760 -0.528 -10.691 1.00 0.00 H new ATOM 677 N LEU A 50 -1.164 2.097 -7.665 1.00 0.00 N ATOM 678 CA LEU A 50 -1.691 3.123 -6.725 1.00 0.00 C ATOM 679 C LEU A 50 -2.681 4.023 -7.470 1.00 0.00 C ATOM 680 O LEU A 50 -2.314 4.773 -8.351 1.00 0.00 O ATOM 681 CB LEU A 50 -0.526 3.968 -6.198 1.00 0.00 C ATOM 682 CG LEU A 50 -1.055 5.286 -5.630 1.00 0.00 C ATOM 683 CD1 LEU A 50 -1.985 4.996 -4.451 1.00 0.00 C ATOM 684 CD2 LEU A 50 0.121 6.145 -5.159 1.00 0.00 C ATOM 0 H LEU A 50 -0.828 2.463 -8.556 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.196 2.638 -5.889 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.013 3.419 -5.426 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.183 4.167 -7.001 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.608 5.821 -6.402 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.362 5.935 -4.046 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.822 4.385 -4.789 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.435 4.462 -3.677 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.254 7.085 -4.754 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.674 5.612 -4.386 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.781 6.351 -6.001 1.00 0.00 H new ATOM 696 N SER A 51 -3.932 3.953 -7.118 1.00 0.00 N ATOM 697 CA SER A 51 -4.941 4.801 -7.801 1.00 0.00 C ATOM 698 C SER A 51 -4.948 6.197 -7.169 1.00 0.00 C ATOM 699 O SER A 51 -5.093 7.191 -7.852 1.00 0.00 O ATOM 700 CB SER A 51 -6.323 4.155 -7.663 1.00 0.00 C ATOM 701 OG SER A 51 -7.228 5.074 -7.064 1.00 0.00 O ATOM 0 H SER A 51 -4.299 3.344 -6.386 1.00 0.00 H new ATOM 0 HA SER A 51 -4.692 4.891 -8.858 1.00 0.00 H new ATOM 0 HB2 SER A 51 -6.693 3.853 -8.643 1.00 0.00 H new ATOM 0 HB3 SER A 51 -6.253 3.252 -7.057 1.00 0.00 H new ATOM 0 HG SER A 51 -7.657 4.653 -6.290 1.00 0.00 H new ATOM 707 N HIS A 52 -4.779 6.285 -5.874 1.00 0.00 N ATOM 708 CA HIS A 52 -4.766 7.623 -5.222 1.00 0.00 C ATOM 709 C HIS A 52 -4.615 7.456 -3.700 1.00 0.00 C ATOM 710 O HIS A 52 -5.513 7.013 -3.010 1.00 0.00 O ATOM 711 CB HIS A 52 -6.059 8.389 -5.588 1.00 0.00 C ATOM 712 CG HIS A 52 -7.082 8.308 -4.483 1.00 0.00 C ATOM 713 ND1 HIS A 52 -8.075 7.341 -4.463 1.00 0.00 N ATOM 714 CD2 HIS A 52 -7.272 9.063 -3.352 1.00 0.00 C ATOM 715 CE1 HIS A 52 -8.810 7.538 -3.352 1.00 0.00 C ATOM 716 NE2 HIS A 52 -8.362 8.575 -2.640 1.00 0.00 N ATOM 0 H HIS A 52 -4.650 5.492 -5.246 1.00 0.00 H new ATOM 0 HA HIS A 52 -3.917 8.206 -5.580 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -5.820 9.434 -5.788 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -6.480 7.977 -6.505 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -6.666 9.908 -3.060 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -9.658 6.931 -3.071 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -8.739 8.932 -1.762 1.00 0.00 H new ATOM 724 N PHE A 53 -3.474 7.804 -3.179 1.00 0.00 N ATOM 725 CA PHE A 53 -3.243 7.677 -1.713 1.00 0.00 C ATOM 726 C PHE A 53 -4.467 8.206 -0.959 1.00 0.00 C ATOM 727 O PHE A 53 -4.604 9.392 -0.728 1.00 0.00 O ATOM 728 CB PHE A 53 -2.012 8.501 -1.327 1.00 0.00 C ATOM 729 CG PHE A 53 -0.742 7.693 -1.518 1.00 0.00 C ATOM 730 CD1 PHE A 53 -0.787 6.404 -2.072 1.00 0.00 C ATOM 731 CD2 PHE A 53 0.489 8.241 -1.136 1.00 0.00 C ATOM 732 CE1 PHE A 53 0.394 5.671 -2.242 1.00 0.00 C ATOM 733 CE2 PHE A 53 1.669 7.508 -1.307 1.00 0.00 C ATOM 734 CZ PHE A 53 1.621 6.224 -1.861 1.00 0.00 C ATOM 0 H PHE A 53 -2.685 8.174 -3.709 1.00 0.00 H new ATOM 0 HA PHE A 53 -3.081 6.631 -1.454 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.968 9.405 -1.935 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.093 8.819 -0.288 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.734 5.977 -2.368 1.00 0.00 H new ATOM 0 HD2 PHE A 53 0.528 9.232 -0.708 1.00 0.00 H new ATOM 0 HE1 PHE A 53 0.357 4.679 -2.667 1.00 0.00 H new ATOM 0 HE2 PHE A 53 2.617 7.933 -1.011 1.00 0.00 H new ATOM 0 HZ PHE A 53 2.532 5.660 -1.995 1.00 0.00 H new ATOM 744 N GLY A 54 -5.355 7.333 -0.578 1.00 0.00 N ATOM 745 CA GLY A 54 -6.572 7.769 0.161 1.00 0.00 C ATOM 746 C GLY A 54 -7.636 6.681 0.040 1.00 0.00 C ATOM 747 O GLY A 54 -7.731 6.011 -0.965 1.00 0.00 O ATOM 0 H GLY A 54 -5.290 6.329 -0.748 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -6.333 7.949 1.209 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -6.945 8.709 -0.247 1.00 0.00 H new ATOM 751 N LYS A 55 -8.432 6.486 1.051 1.00 0.00 N ATOM 752 CA LYS A 55 -9.476 5.427 0.972 1.00 0.00 C ATOM 753 C LYS A 55 -10.309 5.626 -0.294 1.00 0.00 C ATOM 754 O LYS A 55 -10.623 6.736 -0.675 1.00 0.00 O ATOM 755 CB LYS A 55 -10.380 5.510 2.204 1.00 0.00 C ATOM 756 CG LYS A 55 -11.043 6.887 2.258 1.00 0.00 C ATOM 757 CD LYS A 55 -12.153 6.878 3.313 1.00 0.00 C ATOM 758 CE LYS A 55 -12.689 8.298 3.504 1.00 0.00 C ATOM 759 NZ LYS A 55 -13.932 8.252 4.325 1.00 0.00 N ATOM 0 H LYS A 55 -8.407 7.011 1.925 1.00 0.00 H new ATOM 0 HA LYS A 55 -9.000 4.447 0.939 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -11.140 4.730 2.164 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -9.796 5.340 3.109 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -10.303 7.650 2.500 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -11.456 7.142 1.282 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -12.959 6.213 3.002 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -11.768 6.493 4.257 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -11.939 8.919 3.994 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -12.896 8.754 2.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -14.298 9.217 4.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -14.647 7.673 3.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -13.720 7.834 5.253 1.00 0.00 H new ATOM 773 N CYS A 56 -10.670 4.556 -0.949 1.00 0.00 N ATOM 774 CA CYS A 56 -11.482 4.682 -2.192 1.00 0.00 C ATOM 775 C CYS A 56 -12.920 5.053 -1.826 1.00 0.00 C ATOM 776 O CYS A 56 -13.488 5.884 -2.516 1.00 0.00 O ATOM 777 CB CYS A 56 -11.476 3.349 -2.943 1.00 0.00 C ATOM 778 SG CYS A 56 -9.825 2.611 -2.850 1.00 0.00 S ATOM 779 OXT CYS A 56 -13.429 4.501 -0.866 1.00 0.00 O ATOM 0 H CYS A 56 -10.438 3.601 -0.677 1.00 0.00 H new ATOM 0 HA CYS A 56 -11.056 5.459 -2.827 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -12.213 2.673 -2.511 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -11.758 3.505 -3.984 1.00 0.00 H new TER 784 CYS A 56