USER MOD reduce.3.24.130724 H: found=0, std=0, add=378, rem=0, adj=17 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 11 ASN : amide:sc= 0 X(o=1.2,f=1.2) USER MOD Set 1.2: A 55 LYS NZ :NH3+ -114:sc= 1.21 (180deg=-0.265) USER MOD Set 2.1: A 35 TYR OH : rot -79:sc= 0.416 USER MOD Set 2.2: A 46 TYR OH : rot -1:sc= -0.529! USER MOD Single : A 1 LYS N :NH3+ -130:sc= -0.45 (180deg=-1.81!) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -156:sc= -0.313 (180deg=-1.06) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0.105 USER MOD Single : A 12 CYS SG : rot 41:sc= 0.0932 USER MOD Single : A 13 LYS NZ :NH3+ -162:sc= -4.17! (180deg=-5.42!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc=-0.00692 X(o=-0.0069,f=-0.048) USER MOD Single : A 30 LYS NZ :NH3+ 155:sc=-0.00864 (180deg=-0.0668) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot -79:sc= 0.487 USER MOD Single : A 44 TYR OH : rot 130:sc= -0.823 USER MOD Single : A 51 ASN : amide:sc= -2.73! C(o=-2.7!,f=-12!) USER MOD Single : A 52 SER OG : rot -140:sc=-0.00296 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 4.582 14.165 1.890 1.00 0.00 N ATOM 2 CA LYS A 1 4.834 12.703 1.738 1.00 0.00 C ATOM 3 C LYS A 1 4.291 11.964 2.967 1.00 0.00 C ATOM 4 O LYS A 1 4.027 12.562 3.990 1.00 0.00 O ATOM 5 CB LYS A 1 6.341 12.460 1.611 1.00 0.00 C ATOM 6 CG LYS A 1 6.784 12.745 0.174 1.00 0.00 C ATOM 7 CD LYS A 1 8.215 13.292 0.176 1.00 0.00 C ATOM 8 CE LYS A 1 8.261 14.602 0.966 1.00 0.00 C ATOM 9 NZ LYS A 1 8.736 15.701 0.079 1.00 0.00 N ATOM 0 H1 LYS A 1 4.133 14.531 1.027 1.00 0.00 H new ATOM 0 H2 LYS A 1 3.953 14.326 2.703 1.00 0.00 H new ATOM 0 H3 LYS A 1 5.484 14.658 2.047 1.00 0.00 H new ATOM 0 HA LYS A 1 4.332 12.333 0.844 1.00 0.00 H new ATOM 0 HB2 LYS A 1 6.884 13.103 2.304 1.00 0.00 H new ATOM 0 HB3 LYS A 1 6.578 11.430 1.879 1.00 0.00 H new ATOM 0 HG2 LYS A 1 6.734 11.833 -0.420 1.00 0.00 H new ATOM 0 HG3 LYS A 1 6.109 13.465 -0.289 1.00 0.00 H new ATOM 0 HD2 LYS A 1 8.893 12.563 0.620 1.00 0.00 H new ATOM 0 HD3 LYS A 1 8.553 13.460 -0.847 1.00 0.00 H new ATOM 0 HE2 LYS A 1 7.271 14.838 1.357 1.00 0.00 H new ATOM 0 HE3 LYS A 1 8.926 14.499 1.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 8.767 16.591 0.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 9.688 15.476 -0.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 8.085 15.804 -0.725 1.00 0.00 H new ATOM 25 N LYS A 2 4.114 10.670 2.876 1.00 0.00 N ATOM 26 CA LYS A 2 3.581 9.911 4.044 1.00 0.00 C ATOM 27 C LYS A 2 3.651 8.402 3.775 1.00 0.00 C ATOM 28 O LYS A 2 3.644 7.960 2.643 1.00 0.00 O ATOM 29 CB LYS A 2 2.125 10.313 4.285 1.00 0.00 C ATOM 30 CG LYS A 2 1.269 9.867 3.097 1.00 0.00 C ATOM 31 CD LYS A 2 0.619 8.515 3.408 1.00 0.00 C ATOM 32 CE LYS A 2 -0.330 8.131 2.272 1.00 0.00 C ATOM 33 NZ LYS A 2 -1.342 9.208 2.083 1.00 0.00 N ATOM 0 H LYS A 2 4.315 10.110 2.047 1.00 0.00 H new ATOM 0 HA LYS A 2 4.183 10.143 4.922 1.00 0.00 H new ATOM 0 HB2 LYS A 2 1.758 9.856 5.204 1.00 0.00 H new ATOM 0 HB3 LYS A 2 2.051 11.393 4.415 1.00 0.00 H new ATOM 0 HG2 LYS A 2 0.501 10.612 2.890 1.00 0.00 H new ATOM 0 HG3 LYS A 2 1.885 9.788 2.202 1.00 0.00 H new ATOM 0 HD2 LYS A 2 1.386 7.750 3.529 1.00 0.00 H new ATOM 0 HD3 LYS A 2 0.072 8.570 4.349 1.00 0.00 H new ATOM 0 HE2 LYS A 2 0.232 7.980 1.350 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -0.826 7.188 2.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -2.192 8.811 1.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -1.594 9.613 3.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -0.947 9.953 1.475 1.00 0.00 H new ATOM 47 N ASP A 3 3.692 7.611 4.814 1.00 0.00 N ATOM 48 CA ASP A 3 3.734 6.134 4.641 1.00 0.00 C ATOM 49 C ASP A 3 2.313 5.596 4.839 1.00 0.00 C ATOM 50 O ASP A 3 1.517 6.195 5.534 1.00 0.00 O ATOM 51 CB ASP A 3 4.650 5.536 5.705 1.00 0.00 C ATOM 52 CG ASP A 3 5.792 6.509 6.004 1.00 0.00 C ATOM 53 OD1 ASP A 3 6.257 7.148 5.075 1.00 0.00 O ATOM 54 OD2 ASP A 3 6.183 6.597 7.156 1.00 0.00 O ATOM 0 H ASP A 3 3.698 7.930 5.783 1.00 0.00 H new ATOM 0 HA ASP A 3 4.107 5.872 3.651 1.00 0.00 H new ATOM 0 HB2 ASP A 3 4.084 5.333 6.614 1.00 0.00 H new ATOM 0 HB3 ASP A 3 5.051 4.583 5.360 1.00 0.00 H new ATOM 59 N GLY A 4 1.969 4.483 4.250 1.00 0.00 N ATOM 60 CA GLY A 4 0.581 3.972 4.452 1.00 0.00 C ATOM 61 C GLY A 4 0.276 2.802 3.519 1.00 0.00 C ATOM 62 O GLY A 4 1.158 2.193 2.942 1.00 0.00 O ATOM 0 H GLY A 4 2.571 3.917 3.652 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.455 3.656 5.488 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -0.134 4.776 4.275 1.00 0.00 H new ATOM 66 N TYR A 5 -0.987 2.485 3.387 1.00 0.00 N ATOM 67 CA TYR A 5 -1.407 1.354 2.512 1.00 0.00 C ATOM 68 C TYR A 5 -2.082 1.901 1.248 1.00 0.00 C ATOM 69 O TYR A 5 -3.264 2.179 1.256 1.00 0.00 O ATOM 70 CB TYR A 5 -2.412 0.476 3.267 1.00 0.00 C ATOM 71 CG TYR A 5 -1.706 -0.312 4.345 1.00 0.00 C ATOM 72 CD1 TYR A 5 -0.767 -1.291 4.001 1.00 0.00 C ATOM 73 CD2 TYR A 5 -1.994 -0.061 5.690 1.00 0.00 C ATOM 74 CE1 TYR A 5 -0.115 -2.018 5.004 1.00 0.00 C ATOM 75 CE2 TYR A 5 -1.342 -0.786 6.693 1.00 0.00 C ATOM 76 CZ TYR A 5 -0.402 -1.764 6.351 1.00 0.00 C ATOM 77 OH TYR A 5 0.241 -2.477 7.343 1.00 0.00 O ATOM 0 H TYR A 5 -1.753 2.969 3.855 1.00 0.00 H new ATOM 0 HA TYR A 5 -0.530 0.769 2.237 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -3.189 1.098 3.711 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -2.906 -0.204 2.573 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -0.545 -1.486 2.962 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -2.720 0.693 5.955 1.00 0.00 H new ATOM 0 HE1 TYR A 5 0.609 -2.774 4.739 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -1.564 -0.591 7.732 1.00 0.00 H new ATOM 0 HH TYR A 5 -0.074 -2.175 8.220 1.00 0.00 H new ATOM 87 N PRO A 6 -1.312 2.042 0.200 1.00 0.00 N ATOM 88 CA PRO A 6 -1.823 2.554 -1.088 1.00 0.00 C ATOM 89 C PRO A 6 -2.951 1.658 -1.627 1.00 0.00 C ATOM 90 O PRO A 6 -2.760 0.482 -1.881 1.00 0.00 O ATOM 91 CB PRO A 6 -0.610 2.522 -2.029 1.00 0.00 C ATOM 92 CG PRO A 6 0.605 1.996 -1.219 1.00 0.00 C ATOM 93 CD PRO A 6 0.123 1.711 0.214 1.00 0.00 C ATOM 0 HA PRO A 6 -2.247 3.554 -0.992 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -0.807 1.876 -2.885 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -0.405 3.518 -2.422 1.00 0.00 H new ATOM 0 HG2 PRO A 6 1.006 1.091 -1.675 1.00 0.00 H new ATOM 0 HG3 PRO A 6 1.409 2.732 -1.213 1.00 0.00 H new ATOM 0 HD2 PRO A 6 0.286 0.668 0.486 1.00 0.00 H new ATOM 0 HD3 PRO A 6 0.662 2.318 0.941 1.00 0.00 H new ATOM 101 N VAL A 7 -4.127 2.210 -1.808 1.00 0.00 N ATOM 102 CA VAL A 7 -5.270 1.399 -2.331 1.00 0.00 C ATOM 103 C VAL A 7 -5.636 1.861 -3.745 1.00 0.00 C ATOM 104 O VAL A 7 -5.473 3.014 -4.095 1.00 0.00 O ATOM 105 CB VAL A 7 -6.478 1.565 -1.409 1.00 0.00 C ATOM 106 CG1 VAL A 7 -6.041 1.377 0.045 1.00 0.00 C ATOM 107 CG2 VAL A 7 -7.068 2.964 -1.584 1.00 0.00 C ATOM 0 H VAL A 7 -4.344 3.188 -1.616 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.978 0.349 -2.364 1.00 0.00 H new ATOM 0 HB VAL A 7 -7.231 0.819 -1.663 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -6.903 1.495 0.702 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.622 0.379 0.173 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -5.287 2.122 0.298 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -7.929 3.081 -0.926 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -6.315 3.711 -1.332 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -7.381 3.100 -2.619 1.00 0.00 H new ATOM 117 N ASP A 8 -6.127 0.965 -4.561 1.00 0.00 N ATOM 118 CA ASP A 8 -6.502 1.345 -5.955 1.00 0.00 C ATOM 119 C ASP A 8 -7.860 2.058 -5.950 1.00 0.00 C ATOM 120 O ASP A 8 -8.331 2.502 -4.922 1.00 0.00 O ATOM 121 CB ASP A 8 -6.583 0.082 -6.821 1.00 0.00 C ATOM 122 CG ASP A 8 -7.418 -0.982 -6.107 1.00 0.00 C ATOM 123 OD1 ASP A 8 -8.237 -0.612 -5.285 1.00 0.00 O ATOM 124 OD2 ASP A 8 -7.223 -2.151 -6.395 1.00 0.00 O ATOM 0 H ASP A 8 -6.285 -0.014 -4.322 1.00 0.00 H new ATOM 0 HA ASP A 8 -5.748 2.018 -6.364 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -7.029 0.320 -7.787 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -5.581 -0.300 -7.018 1.00 0.00 H new ATOM 129 N SER A 9 -8.489 2.179 -7.089 1.00 0.00 N ATOM 130 CA SER A 9 -9.810 2.869 -7.146 1.00 0.00 C ATOM 131 C SER A 9 -10.863 2.025 -6.423 1.00 0.00 C ATOM 132 O SER A 9 -11.955 2.481 -6.150 1.00 0.00 O ATOM 133 CB SER A 9 -10.228 3.061 -8.606 1.00 0.00 C ATOM 134 OG SER A 9 -9.427 2.234 -9.440 1.00 0.00 O ATOM 0 H SER A 9 -8.144 1.829 -7.983 1.00 0.00 H new ATOM 0 HA SER A 9 -9.728 3.842 -6.661 1.00 0.00 H new ATOM 0 HB2 SER A 9 -11.281 2.810 -8.730 1.00 0.00 H new ATOM 0 HB3 SER A 9 -10.114 4.106 -8.894 1.00 0.00 H new ATOM 0 HG SER A 9 -9.695 2.355 -10.375 1.00 0.00 H new ATOM 140 N GLY A 10 -10.545 0.797 -6.116 1.00 0.00 N ATOM 141 CA GLY A 10 -11.528 -0.076 -5.413 1.00 0.00 C ATOM 142 C GLY A 10 -11.334 0.026 -3.896 1.00 0.00 C ATOM 143 O GLY A 10 -12.063 -0.575 -3.131 1.00 0.00 O ATOM 0 H GLY A 10 -9.647 0.360 -6.322 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -12.543 0.220 -5.678 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -11.403 -1.110 -5.735 1.00 0.00 H new ATOM 147 N ASN A 11 -10.353 0.767 -3.450 1.00 0.00 N ATOM 148 CA ASN A 11 -10.116 0.889 -1.984 1.00 0.00 C ATOM 149 C ASN A 11 -9.493 -0.405 -1.498 1.00 0.00 C ATOM 150 O ASN A 11 -9.698 -0.839 -0.383 1.00 0.00 O ATOM 151 CB ASN A 11 -11.437 1.125 -1.248 1.00 0.00 C ATOM 152 CG ASN A 11 -11.387 2.463 -0.523 1.00 0.00 C ATOM 153 OD1 ASN A 11 -11.878 3.460 -1.015 1.00 0.00 O ATOM 154 ND2 ASN A 11 -10.814 2.520 0.636 1.00 0.00 N ATOM 0 H ASN A 11 -9.707 1.292 -4.039 1.00 0.00 H new ATOM 0 HA ASN A 11 -9.455 1.733 -1.787 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -12.266 1.114 -1.956 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -11.616 0.320 -0.535 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -10.773 3.405 1.142 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -10.404 1.680 1.044 1.00 0.00 H new ATOM 161 N CYS A 12 -8.743 -1.022 -2.350 1.00 0.00 N ATOM 162 CA CYS A 12 -8.094 -2.298 -2.000 1.00 0.00 C ATOM 163 C CYS A 12 -6.582 -2.095 -1.942 1.00 0.00 C ATOM 164 O CYS A 12 -5.933 -1.893 -2.951 1.00 0.00 O ATOM 165 CB CYS A 12 -8.438 -3.325 -3.074 1.00 0.00 C ATOM 166 SG CYS A 12 -10.231 -3.573 -3.121 1.00 0.00 S ATOM 0 H CYS A 12 -8.549 -0.688 -3.294 1.00 0.00 H new ATOM 0 HA CYS A 12 -8.443 -2.648 -1.028 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -8.082 -2.984 -4.046 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -7.935 -4.269 -2.864 1.00 0.00 H new ATOM 0 HG CYS A 12 -10.831 -2.427 -2.992 1.00 0.00 H new ATOM 171 N LYS A 13 -6.014 -2.147 -0.771 1.00 0.00 N ATOM 172 CA LYS A 13 -4.544 -1.964 -0.653 1.00 0.00 C ATOM 173 C LYS A 13 -3.851 -3.108 -1.394 1.00 0.00 C ATOM 174 O LYS A 13 -4.265 -4.249 -1.322 1.00 0.00 O ATOM 175 CB LYS A 13 -4.151 -1.969 0.832 1.00 0.00 C ATOM 176 CG LYS A 13 -2.699 -2.430 1.007 1.00 0.00 C ATOM 177 CD LYS A 13 -1.753 -1.415 0.367 1.00 0.00 C ATOM 178 CE LYS A 13 -0.555 -2.148 -0.246 1.00 0.00 C ATOM 179 NZ LYS A 13 0.445 -1.154 -0.727 1.00 0.00 N ATOM 0 H LYS A 13 -6.505 -2.308 0.109 1.00 0.00 H new ATOM 0 HA LYS A 13 -4.239 -1.013 -1.091 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.273 -0.969 1.249 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -4.817 -2.630 1.387 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -2.468 -2.539 2.067 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -2.561 -3.409 0.548 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -2.278 -0.847 -0.402 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -1.411 -0.699 1.114 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -0.101 -2.807 0.494 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -0.885 -2.777 -1.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 1.094 -1.611 -1.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -0.046 -0.369 -1.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 0.986 -0.787 0.082 1.00 0.00 H new ATOM 193 N TYR A 14 -2.803 -2.815 -2.110 1.00 0.00 N ATOM 194 CA TYR A 14 -2.097 -3.896 -2.853 1.00 0.00 C ATOM 195 C TYR A 14 -1.632 -4.979 -1.871 1.00 0.00 C ATOM 196 O TYR A 14 -1.463 -4.732 -0.694 1.00 0.00 O ATOM 197 CB TYR A 14 -0.899 -3.303 -3.593 1.00 0.00 C ATOM 198 CG TYR A 14 -1.379 -2.152 -4.445 1.00 0.00 C ATOM 199 CD1 TYR A 14 -2.584 -2.266 -5.148 1.00 0.00 C ATOM 200 CD2 TYR A 14 -0.626 -0.975 -4.531 1.00 0.00 C ATOM 201 CE1 TYR A 14 -3.035 -1.204 -5.938 1.00 0.00 C ATOM 202 CE2 TYR A 14 -1.078 0.087 -5.322 1.00 0.00 C ATOM 203 CZ TYR A 14 -2.282 -0.028 -6.025 1.00 0.00 C ATOM 204 OH TYR A 14 -2.727 1.020 -6.802 1.00 0.00 O ATOM 0 H TYR A 14 -2.406 -1.881 -2.213 1.00 0.00 H new ATOM 0 HA TYR A 14 -2.775 -4.347 -3.577 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -0.148 -2.959 -2.882 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -0.425 -4.062 -4.215 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -3.165 -3.174 -5.080 1.00 0.00 H new ATOM 0 HD2 TYR A 14 0.303 -0.887 -3.987 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -3.964 -1.292 -6.481 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -0.498 0.995 -5.390 1.00 0.00 H new ATOM 0 HH TYR A 14 -2.087 1.760 -6.751 1.00 0.00 H new ATOM 214 N GLU A 15 -1.443 -6.182 -2.345 1.00 0.00 N ATOM 215 CA GLU A 15 -1.009 -7.290 -1.441 1.00 0.00 C ATOM 216 C GLU A 15 0.517 -7.322 -1.331 1.00 0.00 C ATOM 217 O GLU A 15 1.210 -6.545 -1.956 1.00 0.00 O ATOM 218 CB GLU A 15 -1.485 -8.620 -2.019 1.00 0.00 C ATOM 219 CG GLU A 15 -2.949 -8.504 -2.449 1.00 0.00 C ATOM 220 CD GLU A 15 -3.038 -8.532 -3.976 1.00 0.00 C ATOM 221 OE1 GLU A 15 -2.721 -9.562 -4.548 1.00 0.00 O ATOM 222 OE2 GLU A 15 -3.421 -7.525 -4.547 1.00 0.00 O ATOM 0 H GLU A 15 -1.571 -6.447 -3.322 1.00 0.00 H new ATOM 0 HA GLU A 15 -1.437 -7.126 -0.452 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.867 -8.898 -2.872 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.376 -9.410 -1.276 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.529 -9.324 -2.026 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.379 -7.578 -2.066 1.00 0.00 H new ATOM 229 N CYS A 16 1.049 -8.228 -0.546 1.00 0.00 N ATOM 230 CA CYS A 16 2.529 -8.309 -0.417 1.00 0.00 C ATOM 231 C CYS A 16 2.960 -9.682 0.113 1.00 0.00 C ATOM 232 O CYS A 16 2.464 -10.162 1.113 1.00 0.00 O ATOM 233 CB CYS A 16 3.030 -7.207 0.524 1.00 0.00 C ATOM 234 SG CYS A 16 2.850 -7.700 2.258 1.00 0.00 S ATOM 0 H CYS A 16 0.524 -8.907 0.005 1.00 0.00 H new ATOM 0 HA CYS A 16 2.967 -8.171 -1.405 1.00 0.00 H new ATOM 0 HB2 CYS A 16 4.077 -6.990 0.311 1.00 0.00 H new ATOM 0 HB3 CYS A 16 2.471 -6.289 0.344 1.00 0.00 H new ATOM 239 N LEU A 17 3.902 -10.299 -0.546 1.00 0.00 N ATOM 240 CA LEU A 17 4.406 -11.625 -0.090 1.00 0.00 C ATOM 241 C LEU A 17 5.936 -11.572 -0.010 1.00 0.00 C ATOM 242 O LEU A 17 6.585 -12.538 0.342 1.00 0.00 O ATOM 243 CB LEU A 17 3.982 -12.709 -1.086 1.00 0.00 C ATOM 244 CG LEU A 17 2.480 -12.606 -1.344 1.00 0.00 C ATOM 245 CD1 LEU A 17 2.061 -13.664 -2.369 1.00 0.00 C ATOM 246 CD2 LEU A 17 1.723 -12.841 -0.036 1.00 0.00 C ATOM 0 H LEU A 17 4.348 -9.937 -1.389 1.00 0.00 H new ATOM 0 HA LEU A 17 3.991 -11.860 0.890 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.531 -12.594 -2.021 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.227 -13.695 -0.692 1.00 0.00 H new ATOM 0 HG LEU A 17 2.246 -11.614 -1.730 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.989 -13.589 -2.552 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.601 -13.501 -3.302 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.295 -14.656 -1.984 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.651 -12.768 -0.218 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.959 -13.834 0.348 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.019 -12.089 0.696 1.00 0.00 H new ATOM 258 N LYS A 18 6.513 -10.445 -0.331 1.00 0.00 N ATOM 259 CA LYS A 18 7.995 -10.308 -0.279 1.00 0.00 C ATOM 260 C LYS A 18 8.340 -8.841 -0.014 1.00 0.00 C ATOM 261 O LYS A 18 7.721 -7.944 -0.550 1.00 0.00 O ATOM 262 CB LYS A 18 8.594 -10.738 -1.620 1.00 0.00 C ATOM 263 CG LYS A 18 8.823 -12.251 -1.625 1.00 0.00 C ATOM 264 CD LYS A 18 10.310 -12.542 -1.847 1.00 0.00 C ATOM 265 CE LYS A 18 10.683 -12.227 -3.298 1.00 0.00 C ATOM 266 NZ LYS A 18 12.119 -12.555 -3.531 1.00 0.00 N ATOM 0 H LYS A 18 6.015 -9.606 -0.630 1.00 0.00 H new ATOM 0 HA LYS A 18 8.401 -10.937 0.513 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.924 -10.460 -2.434 1.00 0.00 H new ATOM 0 HB3 LYS A 18 9.537 -10.218 -1.791 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.494 -12.682 -0.679 1.00 0.00 H new ATOM 0 HG3 LYS A 18 8.229 -12.717 -2.411 1.00 0.00 H new ATOM 0 HD2 LYS A 18 10.914 -11.941 -1.167 1.00 0.00 H new ATOM 0 HD3 LYS A 18 10.524 -13.587 -1.625 1.00 0.00 H new ATOM 0 HE2 LYS A 18 10.054 -12.801 -3.978 1.00 0.00 H new ATOM 0 HE3 LYS A 18 10.502 -11.173 -3.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 12.369 -12.340 -4.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 12.713 -11.988 -2.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 12.279 -13.566 -3.346 1.00 0.00 H new ATOM 280 N ASP A 19 9.315 -8.584 0.811 1.00 0.00 N ATOM 281 CA ASP A 19 9.679 -7.169 1.109 1.00 0.00 C ATOM 282 C ASP A 19 10.145 -6.460 -0.170 1.00 0.00 C ATOM 283 O ASP A 19 10.036 -5.256 -0.292 1.00 0.00 O ATOM 284 CB ASP A 19 10.793 -7.136 2.155 1.00 0.00 C ATOM 285 CG ASP A 19 10.682 -5.846 2.968 1.00 0.00 C ATOM 286 OD1 ASP A 19 10.759 -4.785 2.372 1.00 0.00 O ATOM 287 OD2 ASP A 19 10.516 -5.941 4.173 1.00 0.00 O ATOM 0 H ASP A 19 9.875 -9.289 1.291 1.00 0.00 H new ATOM 0 HA ASP A 19 8.802 -6.651 1.497 1.00 0.00 H new ATOM 0 HB2 ASP A 19 10.716 -8.002 2.813 1.00 0.00 H new ATOM 0 HB3 ASP A 19 11.767 -7.190 1.668 1.00 0.00 H new ATOM 292 N ASP A 20 10.660 -7.189 -1.125 1.00 0.00 N ATOM 293 CA ASP A 20 11.121 -6.545 -2.388 1.00 0.00 C ATOM 294 C ASP A 20 9.898 -6.171 -3.232 1.00 0.00 C ATOM 295 O ASP A 20 9.932 -5.241 -4.011 1.00 0.00 O ATOM 296 CB ASP A 20 12.043 -7.527 -3.143 1.00 0.00 C ATOM 297 CG ASP A 20 11.441 -7.941 -4.495 1.00 0.00 C ATOM 298 OD1 ASP A 20 10.561 -8.787 -4.495 1.00 0.00 O ATOM 299 OD2 ASP A 20 11.870 -7.404 -5.503 1.00 0.00 O ATOM 0 H ASP A 20 10.781 -8.201 -1.084 1.00 0.00 H new ATOM 0 HA ASP A 20 11.684 -5.636 -2.176 1.00 0.00 H new ATOM 0 HB2 ASP A 20 13.016 -7.063 -3.304 1.00 0.00 H new ATOM 0 HB3 ASP A 20 12.210 -8.414 -2.531 1.00 0.00 H new ATOM 304 N TYR A 21 8.818 -6.885 -3.079 1.00 0.00 N ATOM 305 CA TYR A 21 7.603 -6.557 -3.869 1.00 0.00 C ATOM 306 C TYR A 21 7.032 -5.240 -3.354 1.00 0.00 C ATOM 307 O TYR A 21 6.445 -4.472 -4.091 1.00 0.00 O ATOM 308 CB TYR A 21 6.561 -7.666 -3.707 1.00 0.00 C ATOM 309 CG TYR A 21 5.294 -7.275 -4.430 1.00 0.00 C ATOM 310 CD1 TYR A 21 5.365 -6.595 -5.652 1.00 0.00 C ATOM 311 CD2 TYR A 21 4.048 -7.593 -3.878 1.00 0.00 C ATOM 312 CE1 TYR A 21 4.189 -6.234 -6.323 1.00 0.00 C ATOM 313 CE2 TYR A 21 2.872 -7.232 -4.547 1.00 0.00 C ATOM 314 CZ TYR A 21 2.942 -6.553 -5.770 1.00 0.00 C ATOM 315 OH TYR A 21 1.782 -6.198 -6.429 1.00 0.00 O ATOM 0 H TYR A 21 8.726 -7.678 -2.444 1.00 0.00 H new ATOM 0 HA TYR A 21 7.860 -6.468 -4.925 1.00 0.00 H new ATOM 0 HB2 TYR A 21 6.947 -8.603 -4.108 1.00 0.00 H new ATOM 0 HB3 TYR A 21 6.353 -7.833 -2.650 1.00 0.00 H new ATOM 0 HD1 TYR A 21 6.327 -6.349 -6.078 1.00 0.00 H new ATOM 0 HD2 TYR A 21 3.993 -8.117 -2.935 1.00 0.00 H new ATOM 0 HE1 TYR A 21 4.244 -5.710 -7.266 1.00 0.00 H new ATOM 0 HE2 TYR A 21 1.911 -7.477 -4.120 1.00 0.00 H new ATOM 0 HH TYR A 21 1.006 -6.495 -5.909 1.00 0.00 H new ATOM 325 N CYS A 22 7.208 -4.968 -2.089 1.00 0.00 N ATOM 326 CA CYS A 22 6.684 -3.696 -1.528 1.00 0.00 C ATOM 327 C CYS A 22 7.620 -2.560 -1.901 1.00 0.00 C ATOM 328 O CYS A 22 7.203 -1.581 -2.440 1.00 0.00 O ATOM 329 CB CYS A 22 6.591 -3.780 -0.007 1.00 0.00 C ATOM 330 SG CYS A 22 5.251 -4.890 0.476 1.00 0.00 S ATOM 0 H CYS A 22 7.691 -5.572 -1.424 1.00 0.00 H new ATOM 0 HA CYS A 22 5.689 -3.517 -1.937 1.00 0.00 H new ATOM 0 HB2 CYS A 22 7.535 -4.138 0.403 1.00 0.00 H new ATOM 0 HB3 CYS A 22 6.419 -2.788 0.409 1.00 0.00 H new ATOM 335 N ASN A 23 8.882 -2.684 -1.626 1.00 0.00 N ATOM 336 CA ASN A 23 9.830 -1.589 -1.984 1.00 0.00 C ATOM 337 C ASN A 23 9.685 -1.263 -3.459 1.00 0.00 C ATOM 338 O ASN A 23 9.641 -0.122 -3.859 1.00 0.00 O ATOM 339 CB ASN A 23 11.254 -2.075 -1.749 1.00 0.00 C ATOM 340 CG ASN A 23 12.222 -0.907 -1.912 1.00 0.00 C ATOM 341 OD1 ASN A 23 12.431 -0.134 -0.999 1.00 0.00 O ATOM 342 ND2 ASN A 23 12.821 -0.751 -3.053 1.00 0.00 N ATOM 0 H ASN A 23 9.303 -3.493 -1.169 1.00 0.00 H new ATOM 0 HA ASN A 23 9.616 -0.709 -1.378 1.00 0.00 H new ATOM 0 HB2 ASN A 23 11.345 -2.500 -0.749 1.00 0.00 H new ATOM 0 HB3 ASN A 23 11.501 -2.867 -2.456 1.00 0.00 H new ATOM 0 HD21 ASN A 23 13.471 0.024 -3.186 1.00 0.00 H new ATOM 0 HD22 ASN A 23 12.642 -1.403 -3.816 1.00 0.00 H new ATOM 349 N ASP A 24 9.643 -2.276 -4.260 1.00 0.00 N ATOM 350 CA ASP A 24 9.525 -2.077 -5.739 1.00 0.00 C ATOM 351 C ASP A 24 8.223 -1.343 -6.078 1.00 0.00 C ATOM 352 O ASP A 24 8.225 -0.180 -6.427 1.00 0.00 O ATOM 353 CB ASP A 24 9.526 -3.443 -6.428 1.00 0.00 C ATOM 354 CG ASP A 24 9.638 -3.259 -7.943 1.00 0.00 C ATOM 355 OD1 ASP A 24 9.621 -2.122 -8.384 1.00 0.00 O ATOM 356 OD2 ASP A 24 9.737 -4.258 -8.637 1.00 0.00 O ATOM 0 H ASP A 24 9.685 -3.250 -3.961 1.00 0.00 H new ATOM 0 HA ASP A 24 10.368 -1.479 -6.085 1.00 0.00 H new ATOM 0 HB2 ASP A 24 10.359 -4.044 -6.063 1.00 0.00 H new ATOM 0 HB3 ASP A 24 8.612 -3.984 -6.185 1.00 0.00 H new ATOM 361 N LEU A 25 7.113 -2.021 -5.992 1.00 0.00 N ATOM 362 CA LEU A 25 5.804 -1.377 -6.315 1.00 0.00 C ATOM 363 C LEU A 25 5.716 -0.020 -5.601 1.00 0.00 C ATOM 364 O LEU A 25 5.273 0.972 -6.153 1.00 0.00 O ATOM 365 CB LEU A 25 4.680 -2.312 -5.841 1.00 0.00 C ATOM 366 CG LEU A 25 3.353 -1.559 -5.724 1.00 0.00 C ATOM 367 CD1 LEU A 25 2.303 -2.250 -6.597 1.00 0.00 C ATOM 368 CD2 LEU A 25 2.886 -1.588 -4.265 1.00 0.00 C ATOM 0 H LEU A 25 7.053 -3.000 -5.710 1.00 0.00 H new ATOM 0 HA LEU A 25 5.709 -1.208 -7.388 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.572 -3.140 -6.541 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.944 -2.743 -4.875 1.00 0.00 H new ATOM 0 HG LEU A 25 3.486 -0.528 -6.051 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.356 -1.717 -6.517 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.634 -2.247 -7.635 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.170 -3.278 -6.261 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.941 -1.053 -4.175 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.750 -2.622 -3.947 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.635 -1.110 -3.634 1.00 0.00 H new ATOM 380 N CYS A 26 6.158 0.016 -4.380 1.00 0.00 N ATOM 381 CA CYS A 26 6.148 1.261 -3.577 1.00 0.00 C ATOM 382 C CYS A 26 6.909 2.351 -4.319 1.00 0.00 C ATOM 383 O CYS A 26 6.497 3.492 -4.380 1.00 0.00 O ATOM 384 CB CYS A 26 6.863 0.969 -2.257 1.00 0.00 C ATOM 385 SG CYS A 26 5.704 0.220 -1.085 1.00 0.00 S ATOM 0 H CYS A 26 6.538 -0.794 -3.891 1.00 0.00 H new ATOM 0 HA CYS A 26 5.124 1.592 -3.402 1.00 0.00 H new ATOM 0 HB2 CYS A 26 7.705 0.298 -2.429 1.00 0.00 H new ATOM 0 HB3 CYS A 26 7.270 1.891 -1.841 1.00 0.00 H new ATOM 390 N LEU A 27 8.032 1.997 -4.865 1.00 0.00 N ATOM 391 CA LEU A 27 8.863 2.979 -5.593 1.00 0.00 C ATOM 392 C LEU A 27 8.136 3.429 -6.864 1.00 0.00 C ATOM 393 O LEU A 27 8.204 4.578 -7.252 1.00 0.00 O ATOM 394 CB LEU A 27 10.234 2.335 -5.894 1.00 0.00 C ATOM 395 CG LEU A 27 10.403 2.048 -7.384 1.00 0.00 C ATOM 396 CD1 LEU A 27 10.989 3.279 -8.075 1.00 0.00 C ATOM 397 CD2 LEU A 27 11.347 0.859 -7.562 1.00 0.00 C ATOM 0 H LEU A 27 8.414 1.052 -4.836 1.00 0.00 H new ATOM 0 HA LEU A 27 9.032 3.871 -4.990 1.00 0.00 H new ATOM 0 HB2 LEU A 27 11.031 2.999 -5.558 1.00 0.00 H new ATOM 0 HB3 LEU A 27 10.333 1.407 -5.330 1.00 0.00 H new ATOM 0 HG LEU A 27 9.435 1.814 -7.827 1.00 0.00 H new ATOM 0 HD11 LEU A 27 11.110 3.076 -9.139 1.00 0.00 H new ATOM 0 HD12 LEU A 27 10.316 4.126 -7.942 1.00 0.00 H new ATOM 0 HD13 LEU A 27 11.959 3.514 -7.638 1.00 0.00 H new ATOM 0 HD21 LEU A 27 11.472 0.649 -8.624 1.00 0.00 H new ATOM 0 HD22 LEU A 27 12.316 1.095 -7.123 1.00 0.00 H new ATOM 0 HD23 LEU A 27 10.927 -0.016 -7.066 1.00 0.00 H new ATOM 409 N GLU A 28 7.441 2.536 -7.514 1.00 0.00 N ATOM 410 CA GLU A 28 6.720 2.920 -8.749 1.00 0.00 C ATOM 411 C GLU A 28 5.720 4.020 -8.418 1.00 0.00 C ATOM 412 O GLU A 28 5.420 4.873 -9.228 1.00 0.00 O ATOM 413 CB GLU A 28 5.986 1.704 -9.319 1.00 0.00 C ATOM 414 CG GLU A 28 7.006 0.678 -9.820 1.00 0.00 C ATOM 415 CD GLU A 28 6.282 -0.414 -10.611 1.00 0.00 C ATOM 416 OE1 GLU A 28 5.235 -0.850 -10.160 1.00 0.00 O ATOM 417 OE2 GLU A 28 6.786 -0.797 -11.654 1.00 0.00 O ATOM 0 H GLU A 28 7.344 1.558 -7.239 1.00 0.00 H new ATOM 0 HA GLU A 28 7.430 3.283 -9.492 1.00 0.00 H new ATOM 0 HB2 GLU A 28 5.352 1.257 -8.553 1.00 0.00 H new ATOM 0 HB3 GLU A 28 5.332 2.011 -10.135 1.00 0.00 H new ATOM 0 HG2 GLU A 28 7.750 1.166 -10.450 1.00 0.00 H new ATOM 0 HG3 GLU A 28 7.540 0.239 -8.978 1.00 0.00 H new ATOM 424 N ARG A 29 5.204 4.001 -7.228 1.00 0.00 N ATOM 425 CA ARG A 29 4.222 5.037 -6.825 1.00 0.00 C ATOM 426 C ARG A 29 4.944 6.355 -6.554 1.00 0.00 C ATOM 427 O ARG A 29 4.411 7.415 -6.804 1.00 0.00 O ATOM 428 CB ARG A 29 3.486 4.588 -5.563 1.00 0.00 C ATOM 429 CG ARG A 29 1.977 4.710 -5.782 1.00 0.00 C ATOM 430 CD ARG A 29 1.347 3.318 -5.754 1.00 0.00 C ATOM 431 NE ARG A 29 0.624 3.071 -7.040 1.00 0.00 N ATOM 432 CZ ARG A 29 -0.219 3.947 -7.523 1.00 0.00 C ATOM 433 NH1 ARG A 29 -0.596 4.977 -6.813 1.00 0.00 N ATOM 434 NH2 ARG A 29 -0.731 3.758 -8.708 1.00 0.00 N ATOM 0 H ARG A 29 5.421 3.308 -6.512 1.00 0.00 H new ATOM 0 HA ARG A 29 3.502 5.179 -7.631 1.00 0.00 H new ATOM 0 HB2 ARG A 29 3.747 3.557 -5.324 1.00 0.00 H new ATOM 0 HB3 ARG A 29 3.792 5.199 -4.714 1.00 0.00 H new ATOM 0 HG2 ARG A 29 1.535 5.337 -5.007 1.00 0.00 H new ATOM 0 HG3 ARG A 29 1.775 5.194 -6.738 1.00 0.00 H new ATOM 0 HD2 ARG A 29 2.118 2.561 -5.607 1.00 0.00 H new ATOM 0 HD3 ARG A 29 0.656 3.237 -4.915 1.00 0.00 H new ATOM 0 HE ARG A 29 0.791 2.204 -7.550 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -0.232 5.106 -5.869 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -1.254 5.652 -7.203 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -0.473 2.933 -9.249 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -1.389 4.435 -9.093 1.00 0.00 H new ATOM 448 N LYS A 30 6.150 6.258 -6.047 1.00 0.00 N ATOM 449 CA LYS A 30 7.006 7.457 -5.720 1.00 0.00 C ATOM 450 C LYS A 30 7.504 7.338 -4.279 1.00 0.00 C ATOM 451 O LYS A 30 8.174 8.216 -3.770 1.00 0.00 O ATOM 452 CB LYS A 30 6.240 8.780 -5.856 1.00 0.00 C ATOM 453 CG LYS A 30 5.116 8.842 -4.817 1.00 0.00 C ATOM 454 CD LYS A 30 5.462 9.879 -3.741 1.00 0.00 C ATOM 455 CE LYS A 30 5.238 11.286 -4.304 1.00 0.00 C ATOM 456 NZ LYS A 30 6.530 12.030 -4.330 1.00 0.00 N ATOM 0 H LYS A 30 6.597 5.366 -5.837 1.00 0.00 H new ATOM 0 HA LYS A 30 7.832 7.469 -6.431 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.921 9.620 -5.718 1.00 0.00 H new ATOM 0 HB3 LYS A 30 5.824 8.868 -6.860 1.00 0.00 H new ATOM 0 HG2 LYS A 30 4.175 9.106 -5.300 1.00 0.00 H new ATOM 0 HG3 LYS A 30 4.976 7.862 -4.360 1.00 0.00 H new ATOM 0 HD2 LYS A 30 4.842 9.725 -2.858 1.00 0.00 H new ATOM 0 HD3 LYS A 30 6.499 9.761 -3.426 1.00 0.00 H new ATOM 0 HE2 LYS A 30 4.823 11.224 -5.310 1.00 0.00 H new ATOM 0 HE3 LYS A 30 4.512 11.821 -3.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 6.490 12.770 -5.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 6.697 12.468 -3.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 7.305 11.372 -4.547 1.00 0.00 H new ATOM 470 N ALA A 31 7.178 6.266 -3.611 1.00 0.00 N ATOM 471 CA ALA A 31 7.629 6.107 -2.203 1.00 0.00 C ATOM 472 C ALA A 31 9.134 5.857 -2.166 1.00 0.00 C ATOM 473 O ALA A 31 9.699 5.247 -3.051 1.00 0.00 O ATOM 474 CB ALA A 31 6.915 4.918 -1.563 1.00 0.00 C ATOM 0 H ALA A 31 6.620 5.496 -3.980 1.00 0.00 H new ATOM 0 HA ALA A 31 7.394 7.018 -1.653 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.249 4.805 -0.531 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.838 5.088 -1.580 1.00 0.00 H new ATOM 0 HB3 ALA A 31 7.148 4.011 -2.121 1.00 0.00 H new ATOM 480 N ASP A 32 9.780 6.319 -1.137 1.00 0.00 N ATOM 481 CA ASP A 32 11.236 6.113 -1.011 1.00 0.00 C ATOM 482 C ASP A 32 11.501 4.651 -0.675 1.00 0.00 C ATOM 483 O ASP A 32 12.314 3.993 -1.295 1.00 0.00 O ATOM 484 CB ASP A 32 11.759 6.989 0.122 1.00 0.00 C ATOM 485 CG ASP A 32 13.228 7.340 -0.131 1.00 0.00 C ATOM 486 OD1 ASP A 32 13.797 6.786 -1.057 1.00 0.00 O ATOM 487 OD2 ASP A 32 13.757 8.156 0.605 1.00 0.00 O ATOM 0 H ASP A 32 9.351 6.837 -0.370 1.00 0.00 H new ATOM 0 HA ASP A 32 11.735 6.374 -1.944 1.00 0.00 H new ATOM 0 HB2 ASP A 32 11.165 7.900 0.194 1.00 0.00 H new ATOM 0 HB3 ASP A 32 11.659 6.467 1.074 1.00 0.00 H new ATOM 492 N LYS A 33 10.812 4.139 0.307 1.00 0.00 N ATOM 493 CA LYS A 33 11.014 2.713 0.696 1.00 0.00 C ATOM 494 C LYS A 33 9.656 2.105 1.039 1.00 0.00 C ATOM 495 O LYS A 33 8.691 2.809 1.213 1.00 0.00 O ATOM 496 CB LYS A 33 11.938 2.600 1.924 1.00 0.00 C ATOM 497 CG LYS A 33 12.688 3.916 2.192 1.00 0.00 C ATOM 498 CD LYS A 33 12.366 4.407 3.606 1.00 0.00 C ATOM 499 CE LYS A 33 12.957 3.437 4.631 1.00 0.00 C ATOM 500 NZ LYS A 33 13.815 4.190 5.592 1.00 0.00 N ATOM 0 H LYS A 33 10.118 4.645 0.857 1.00 0.00 H new ATOM 0 HA LYS A 33 11.479 2.184 -0.136 1.00 0.00 H new ATOM 0 HB2 LYS A 33 11.348 2.332 2.800 1.00 0.00 H new ATOM 0 HB3 LYS A 33 12.657 1.796 1.766 1.00 0.00 H new ATOM 0 HG2 LYS A 33 13.762 3.764 2.084 1.00 0.00 H new ATOM 0 HG3 LYS A 33 12.397 4.669 1.459 1.00 0.00 H new ATOM 0 HD2 LYS A 33 12.775 5.406 3.757 1.00 0.00 H new ATOM 0 HD3 LYS A 33 11.287 4.481 3.740 1.00 0.00 H new ATOM 0 HE2 LYS A 33 12.157 2.924 5.166 1.00 0.00 H new ATOM 0 HE3 LYS A 33 13.545 2.671 4.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 14.217 3.531 6.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 14.586 4.660 5.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 13.241 4.905 6.083 1.00 0.00 H new ATOM 514 N GLY A 34 9.566 0.807 1.138 1.00 0.00 N ATOM 515 CA GLY A 34 8.251 0.184 1.470 1.00 0.00 C ATOM 516 C GLY A 34 8.440 -1.305 1.743 1.00 0.00 C ATOM 517 O GLY A 34 9.077 -2.007 0.982 1.00 0.00 O ATOM 0 H GLY A 34 10.339 0.154 1.005 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.817 0.671 2.343 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.552 0.326 0.646 1.00 0.00 H new ATOM 521 N TYR A 35 7.894 -1.802 2.821 1.00 0.00 N ATOM 522 CA TYR A 35 8.061 -3.256 3.109 1.00 0.00 C ATOM 523 C TYR A 35 6.725 -3.986 3.046 1.00 0.00 C ATOM 524 O TYR A 35 5.696 -3.419 2.734 1.00 0.00 O ATOM 525 CB TYR A 35 8.697 -3.486 4.484 1.00 0.00 C ATOM 526 CG TYR A 35 7.884 -2.866 5.608 1.00 0.00 C ATOM 527 CD1 TYR A 35 6.632 -2.271 5.376 1.00 0.00 C ATOM 528 CD2 TYR A 35 8.401 -2.903 6.909 1.00 0.00 C ATOM 529 CE1 TYR A 35 5.910 -1.720 6.444 1.00 0.00 C ATOM 530 CE2 TYR A 35 7.678 -2.352 7.971 1.00 0.00 C ATOM 531 CZ TYR A 35 6.434 -1.763 7.740 1.00 0.00 C ATOM 532 OH TYR A 35 5.724 -1.218 8.791 1.00 0.00 O ATOM 0 H TYR A 35 7.349 -1.275 3.504 1.00 0.00 H new ATOM 0 HA TYR A 35 8.725 -3.656 2.342 1.00 0.00 H new ATOM 0 HB2 TYR A 35 8.798 -4.557 4.660 1.00 0.00 H new ATOM 0 HB3 TYR A 35 9.703 -3.065 4.491 1.00 0.00 H new ATOM 0 HD1 TYR A 35 6.226 -2.238 4.376 1.00 0.00 H new ATOM 0 HD2 TYR A 35 9.363 -3.359 7.093 1.00 0.00 H new ATOM 0 HE1 TYR A 35 4.948 -1.262 6.266 1.00 0.00 H new ATOM 0 HE2 TYR A 35 8.083 -2.382 8.972 1.00 0.00 H new ATOM 0 HH TYR A 35 5.836 -0.244 8.791 1.00 0.00 H new ATOM 542 N CYS A 36 6.756 -5.255 3.314 1.00 0.00 N ATOM 543 CA CYS A 36 5.525 -6.078 3.254 1.00 0.00 C ATOM 544 C CYS A 36 5.018 -6.421 4.646 1.00 0.00 C ATOM 545 O CYS A 36 5.698 -7.037 5.443 1.00 0.00 O ATOM 546 CB CYS A 36 5.880 -7.348 2.496 1.00 0.00 C ATOM 547 SG CYS A 36 4.594 -8.616 2.698 1.00 0.00 S ATOM 0 H CYS A 36 7.598 -5.766 3.577 1.00 0.00 H new ATOM 0 HA CYS A 36 4.728 -5.527 2.755 1.00 0.00 H new ATOM 0 HB2 CYS A 36 6.006 -7.120 1.438 1.00 0.00 H new ATOM 0 HB3 CYS A 36 6.834 -7.734 2.855 1.00 0.00 H new ATOM 552 N TYR A 37 3.806 -6.047 4.923 1.00 0.00 N ATOM 553 CA TYR A 37 3.211 -6.368 6.236 1.00 0.00 C ATOM 554 C TYR A 37 2.486 -7.711 6.092 1.00 0.00 C ATOM 555 O TYR A 37 1.325 -7.773 5.721 1.00 0.00 O ATOM 556 CB TYR A 37 2.245 -5.249 6.632 1.00 0.00 C ATOM 557 CG TYR A 37 1.849 -5.408 8.077 1.00 0.00 C ATOM 558 CD1 TYR A 37 2.685 -4.908 9.083 1.00 0.00 C ATOM 559 CD2 TYR A 37 0.652 -6.049 8.415 1.00 0.00 C ATOM 560 CE1 TYR A 37 2.325 -5.049 10.426 1.00 0.00 C ATOM 561 CE2 TYR A 37 0.291 -6.190 9.759 1.00 0.00 C ATOM 562 CZ TYR A 37 1.127 -5.689 10.764 1.00 0.00 C ATOM 563 OH TYR A 37 0.772 -5.827 12.089 1.00 0.00 O ATOM 0 H TYR A 37 3.199 -5.528 4.288 1.00 0.00 H new ATOM 0 HA TYR A 37 3.967 -6.446 7.017 1.00 0.00 H new ATOM 0 HB2 TYR A 37 2.716 -4.278 6.479 1.00 0.00 H new ATOM 0 HB3 TYR A 37 1.360 -5.278 5.997 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.608 -4.413 8.821 1.00 0.00 H new ATOM 0 HD2 TYR A 37 0.007 -6.435 7.639 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.970 -4.665 11.202 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.632 -6.685 10.021 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.088 -6.293 12.150 1.00 0.00 H new ATOM 573 N TRP A 38 3.204 -8.781 6.342 1.00 0.00 N ATOM 574 CA TRP A 38 2.647 -10.162 6.202 1.00 0.00 C ATOM 575 C TRP A 38 1.340 -10.310 6.990 1.00 0.00 C ATOM 576 O TRP A 38 0.627 -9.355 7.227 1.00 0.00 O ATOM 577 CB TRP A 38 3.690 -11.158 6.730 1.00 0.00 C ATOM 578 CG TRP A 38 4.173 -12.024 5.608 1.00 0.00 C ATOM 579 CD1 TRP A 38 4.778 -11.569 4.485 1.00 0.00 C ATOM 580 CD2 TRP A 38 4.115 -13.478 5.478 1.00 0.00 C ATOM 581 NE1 TRP A 38 5.088 -12.645 3.674 1.00 0.00 N ATOM 582 CE2 TRP A 38 4.701 -13.843 4.242 1.00 0.00 C ATOM 583 CE3 TRP A 38 3.615 -14.504 6.302 1.00 0.00 C ATOM 584 CZ2 TRP A 38 4.789 -15.175 3.838 1.00 0.00 C ATOM 585 CZ3 TRP A 38 3.703 -15.847 5.896 1.00 0.00 C ATOM 586 CH2 TRP A 38 4.289 -16.181 4.667 1.00 0.00 C ATOM 0 H TRP A 38 4.178 -8.752 6.645 1.00 0.00 H new ATOM 0 HA TRP A 38 2.427 -10.359 5.153 1.00 0.00 H new ATOM 0 HB2 TRP A 38 4.528 -10.621 7.174 1.00 0.00 H new ATOM 0 HB3 TRP A 38 3.254 -11.774 7.516 1.00 0.00 H new ATOM 0 HD1 TRP A 38 4.985 -10.533 4.259 1.00 0.00 H new ATOM 0 HE1 TRP A 38 5.547 -12.564 2.767 1.00 0.00 H new ATOM 0 HE3 TRP A 38 3.162 -14.258 7.251 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 5.241 -15.427 2.890 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 3.316 -16.627 6.535 1.00 0.00 H new ATOM 0 HH2 TRP A 38 4.354 -17.215 4.362 1.00 0.00 H new ATOM 642 N SER A 42 -1.070 -6.744 3.717 1.00 0.00 N ATOM 643 CA SER A 42 -0.795 -6.108 2.393 1.00 0.00 C ATOM 644 C SER A 42 0.607 -5.495 2.362 1.00 0.00 C ATOM 645 O SER A 42 1.389 -5.653 3.276 1.00 0.00 O ATOM 646 CB SER A 42 -1.819 -5.008 2.145 1.00 0.00 C ATOM 647 OG SER A 42 -2.839 -5.500 1.287 1.00 0.00 O ATOM 0 HA SER A 42 -0.861 -6.874 1.620 1.00 0.00 H new ATOM 0 HB2 SER A 42 -2.251 -4.678 3.090 1.00 0.00 H new ATOM 0 HB3 SER A 42 -1.336 -4.141 1.695 1.00 0.00 H new ATOM 0 HG SER A 42 -2.521 -5.486 0.360 1.00 0.00 H new ATOM 653 N CYS A 43 0.913 -4.773 1.311 1.00 0.00 N ATOM 654 CA CYS A 43 2.251 -4.117 1.200 1.00 0.00 C ATOM 655 C CYS A 43 2.236 -2.834 2.029 1.00 0.00 C ATOM 656 O CYS A 43 1.252 -2.506 2.662 1.00 0.00 O ATOM 657 CB CYS A 43 2.520 -3.739 -0.267 1.00 0.00 C ATOM 658 SG CYS A 43 3.851 -4.752 -0.975 1.00 0.00 S ATOM 0 H CYS A 43 0.288 -4.610 0.521 1.00 0.00 H new ATOM 0 HA CYS A 43 3.023 -4.800 1.555 1.00 0.00 H new ATOM 0 HB2 CYS A 43 1.610 -3.871 -0.852 1.00 0.00 H new ATOM 0 HB3 CYS A 43 2.790 -2.685 -0.330 1.00 0.00 H new ATOM 663 N TYR A 44 3.308 -2.094 2.016 1.00 0.00 N ATOM 664 CA TYR A 44 3.332 -0.818 2.789 1.00 0.00 C ATOM 665 C TYR A 44 4.477 0.069 2.284 1.00 0.00 C ATOM 666 O TYR A 44 5.612 -0.360 2.187 1.00 0.00 O ATOM 667 CB TYR A 44 3.503 -1.117 4.278 1.00 0.00 C ATOM 668 CG TYR A 44 3.292 0.156 5.055 1.00 0.00 C ATOM 669 CD1 TYR A 44 1.998 0.521 5.433 1.00 0.00 C ATOM 670 CD2 TYR A 44 4.377 0.974 5.396 1.00 0.00 C ATOM 671 CE1 TYR A 44 1.781 1.697 6.150 1.00 0.00 C ATOM 672 CE2 TYR A 44 4.162 2.155 6.116 1.00 0.00 C ATOM 673 CZ TYR A 44 2.862 2.517 6.494 1.00 0.00 C ATOM 674 OH TYR A 44 2.647 3.681 7.204 1.00 0.00 O ATOM 0 H TYR A 44 4.165 -2.314 1.508 1.00 0.00 H new ATOM 0 HA TYR A 44 2.390 -0.289 2.647 1.00 0.00 H new ATOM 0 HB2 TYR A 44 2.788 -1.876 4.595 1.00 0.00 H new ATOM 0 HB3 TYR A 44 4.499 -1.517 4.471 1.00 0.00 H new ATOM 0 HD1 TYR A 44 1.162 -0.110 5.169 1.00 0.00 H new ATOM 0 HD2 TYR A 44 5.378 0.694 5.104 1.00 0.00 H new ATOM 0 HE1 TYR A 44 0.779 1.975 6.440 1.00 0.00 H new ATOM 0 HE2 TYR A 44 4.997 2.787 6.380 1.00 0.00 H new ATOM 0 HH TYR A 44 3.255 3.713 7.972 1.00 0.00 H new ATOM 684 N CYS A 45 4.178 1.299 1.935 1.00 0.00 N ATOM 685 CA CYS A 45 5.237 2.212 1.398 1.00 0.00 C ATOM 686 C CYS A 45 5.560 3.342 2.385 1.00 0.00 C ATOM 687 O CYS A 45 4.906 3.523 3.396 1.00 0.00 O ATOM 688 CB CYS A 45 4.743 2.826 0.085 1.00 0.00 C ATOM 689 SG CYS A 45 4.160 1.516 -1.016 1.00 0.00 S ATOM 0 H CYS A 45 3.246 1.709 1.999 1.00 0.00 H new ATOM 0 HA CYS A 45 6.143 1.628 1.238 1.00 0.00 H new ATOM 0 HB2 CYS A 45 3.938 3.534 0.283 1.00 0.00 H new ATOM 0 HB3 CYS A 45 5.548 3.385 -0.392 1.00 0.00 H new ATOM 694 N TYR A 46 6.574 4.107 2.064 1.00 0.00 N ATOM 695 CA TYR A 46 7.004 5.251 2.917 1.00 0.00 C ATOM 696 C TYR A 46 7.447 6.385 1.991 1.00 0.00 C ATOM 697 O TYR A 46 8.502 6.312 1.387 1.00 0.00 O ATOM 698 CB TYR A 46 8.216 4.848 3.756 1.00 0.00 C ATOM 699 CG TYR A 46 7.872 3.743 4.720 1.00 0.00 C ATOM 700 CD1 TYR A 46 7.892 2.415 4.290 1.00 0.00 C ATOM 701 CD2 TYR A 46 7.551 4.046 6.045 1.00 0.00 C ATOM 702 CE1 TYR A 46 7.588 1.387 5.187 1.00 0.00 C ATOM 703 CE2 TYR A 46 7.248 3.021 6.943 1.00 0.00 C ATOM 704 CZ TYR A 46 7.265 1.692 6.515 1.00 0.00 C ATOM 705 OH TYR A 46 6.963 0.683 7.402 1.00 0.00 O ATOM 0 H TYR A 46 7.135 3.980 1.222 1.00 0.00 H new ATOM 0 HA TYR A 46 6.182 5.551 3.567 1.00 0.00 H new ATOM 0 HB2 TYR A 46 9.023 4.523 3.100 1.00 0.00 H new ATOM 0 HB3 TYR A 46 8.583 5.713 4.308 1.00 0.00 H new ATOM 0 HD1 TYR A 46 8.142 2.182 3.265 1.00 0.00 H new ATOM 0 HD2 TYR A 46 7.537 5.074 6.375 1.00 0.00 H new ATOM 0 HE1 TYR A 46 7.602 0.359 4.856 1.00 0.00 H new ATOM 0 HE2 TYR A 46 7.001 3.256 7.968 1.00 0.00 H new ATOM 0 HH TYR A 46 6.999 -0.180 6.940 1.00 0.00 H new ATOM 715 N GLY A 47 6.664 7.422 1.866 1.00 0.00 N ATOM 716 CA GLY A 47 7.058 8.545 0.964 1.00 0.00 C ATOM 717 C GLY A 47 5.928 8.829 -0.022 1.00 0.00 C ATOM 718 O GLY A 47 6.017 9.723 -0.842 1.00 0.00 O ATOM 0 H GLY A 47 5.772 7.541 2.347 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.275 9.437 1.551 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.970 8.289 0.424 1.00 0.00 H new ATOM 722 N LEU A 48 4.862 8.083 0.051 1.00 0.00 N ATOM 723 CA LEU A 48 3.727 8.320 -0.880 1.00 0.00 C ATOM 724 C LEU A 48 3.309 9.791 -0.795 1.00 0.00 C ATOM 725 O LEU A 48 3.612 10.462 0.166 1.00 0.00 O ATOM 726 CB LEU A 48 2.549 7.429 -0.475 1.00 0.00 C ATOM 727 CG LEU A 48 2.953 5.958 -0.581 1.00 0.00 C ATOM 728 CD1 LEU A 48 1.867 5.089 0.053 1.00 0.00 C ATOM 729 CD2 LEU A 48 3.112 5.579 -2.057 1.00 0.00 C ATOM 0 H LEU A 48 4.728 7.320 0.715 1.00 0.00 H new ATOM 0 HA LEU A 48 4.028 8.083 -1.901 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.241 7.659 0.545 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.692 7.628 -1.119 1.00 0.00 H new ATOM 0 HG LEU A 48 3.898 5.799 -0.061 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.152 4.039 -0.021 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.750 5.360 1.102 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.924 5.247 -0.470 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.400 4.531 -2.134 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.167 5.735 -2.577 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.883 6.202 -2.512 1.00 0.00 H new ATOM 741 N PRO A 49 2.628 10.254 -1.806 1.00 0.00 N ATOM 742 CA PRO A 49 2.164 11.649 -1.850 1.00 0.00 C ATOM 743 C PRO A 49 1.229 11.919 -0.669 1.00 0.00 C ATOM 744 O PRO A 49 0.573 11.026 -0.171 1.00 0.00 O ATOM 745 CB PRO A 49 1.409 11.768 -3.181 1.00 0.00 C ATOM 746 CG PRO A 49 1.490 10.393 -3.892 1.00 0.00 C ATOM 747 CD PRO A 49 2.271 9.438 -2.976 1.00 0.00 C ATOM 0 HA PRO A 49 2.980 12.369 -1.782 1.00 0.00 H new ATOM 0 HB2 PRO A 49 0.370 12.049 -3.008 1.00 0.00 H new ATOM 0 HB3 PRO A 49 1.850 12.547 -3.803 1.00 0.00 H new ATOM 0 HG2 PRO A 49 0.491 10.004 -4.087 1.00 0.00 H new ATOM 0 HG3 PRO A 49 1.988 10.490 -4.857 1.00 0.00 H new ATOM 0 HD2 PRO A 49 1.664 8.579 -2.690 1.00 0.00 H new ATOM 0 HD3 PRO A 49 3.159 9.049 -3.474 1.00 0.00 H new ATOM 755 N ASP A 50 1.170 13.138 -0.210 1.00 0.00 N ATOM 756 CA ASP A 50 0.289 13.463 0.932 1.00 0.00 C ATOM 757 C ASP A 50 -1.158 13.125 0.573 1.00 0.00 C ATOM 758 O ASP A 50 -1.880 12.513 1.337 1.00 0.00 O ATOM 759 CB ASP A 50 0.416 14.955 1.233 1.00 0.00 C ATOM 760 CG ASP A 50 1.507 15.180 2.283 1.00 0.00 C ATOM 761 OD1 ASP A 50 1.561 14.412 3.229 1.00 0.00 O ATOM 762 OD2 ASP A 50 2.272 16.118 2.122 1.00 0.00 O ATOM 0 H ASP A 50 1.701 13.925 -0.584 1.00 0.00 H new ATOM 0 HA ASP A 50 0.578 12.883 1.808 1.00 0.00 H new ATOM 0 HB2 ASP A 50 0.658 15.500 0.321 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.536 15.345 1.594 1.00 0.00 H new ATOM 767 N ASN A 51 -1.576 13.529 -0.586 1.00 0.00 N ATOM 768 CA ASN A 51 -2.956 13.265 -1.039 1.00 0.00 C ATOM 769 C ASN A 51 -3.068 11.829 -1.564 1.00 0.00 C ATOM 770 O ASN A 51 -4.112 11.402 -2.015 1.00 0.00 O ATOM 771 CB ASN A 51 -3.279 14.240 -2.165 1.00 0.00 C ATOM 772 CG ASN A 51 -2.222 14.117 -3.261 1.00 0.00 C ATOM 773 OD1 ASN A 51 -1.355 13.270 -3.192 1.00 0.00 O ATOM 774 ND2 ASN A 51 -2.258 14.930 -4.280 1.00 0.00 N ATOM 0 H ASN A 51 -1.002 14.044 -1.253 1.00 0.00 H new ATOM 0 HA ASN A 51 -3.652 13.392 -0.210 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -4.268 14.028 -2.572 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -3.304 15.260 -1.782 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -1.558 14.854 -5.018 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -2.986 15.642 -4.339 1.00 0.00 H new ATOM 781 N SER A 52 -1.996 11.091 -1.517 1.00 0.00 N ATOM 782 CA SER A 52 -2.018 9.685 -2.017 1.00 0.00 C ATOM 783 C SER A 52 -3.271 8.961 -1.506 1.00 0.00 C ATOM 784 O SER A 52 -3.480 8.871 -0.312 1.00 0.00 O ATOM 785 CB SER A 52 -0.777 8.954 -1.503 1.00 0.00 C ATOM 786 OG SER A 52 -0.672 7.695 -2.153 1.00 0.00 O ATOM 0 H SER A 52 -1.096 11.402 -1.151 1.00 0.00 H new ATOM 0 HA SER A 52 -2.029 9.693 -3.107 1.00 0.00 H new ATOM 0 HB2 SER A 52 0.115 9.550 -1.693 1.00 0.00 H new ATOM 0 HB3 SER A 52 -0.843 8.815 -0.424 1.00 0.00 H new ATOM 0 HG SER A 52 -0.381 7.017 -1.508 1.00 0.00 H new ATOM 792 N PRO A 53 -4.071 8.467 -2.425 1.00 0.00 N ATOM 793 CA PRO A 53 -5.310 7.745 -2.083 1.00 0.00 C ATOM 794 C PRO A 53 -4.978 6.402 -1.420 1.00 0.00 C ATOM 795 O PRO A 53 -4.691 5.422 -2.081 1.00 0.00 O ATOM 796 CB PRO A 53 -6.015 7.516 -3.429 1.00 0.00 C ATOM 797 CG PRO A 53 -5.076 8.036 -4.546 1.00 0.00 C ATOM 798 CD PRO A 53 -3.814 8.595 -3.870 1.00 0.00 C ATOM 0 HA PRO A 53 -5.931 8.301 -1.381 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -6.231 6.457 -3.573 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -6.969 8.042 -3.456 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -4.817 7.231 -5.234 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -5.571 8.810 -5.133 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -2.927 8.035 -4.165 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -3.643 9.634 -4.150 1.00 0.00 H new ATOM 806 N THR A 54 -5.018 6.346 -0.118 1.00 0.00 N ATOM 807 CA THR A 54 -4.710 5.068 0.582 1.00 0.00 C ATOM 808 C THR A 54 -5.913 4.660 1.433 1.00 0.00 C ATOM 809 O THR A 54 -6.893 5.372 1.511 1.00 0.00 O ATOM 810 CB THR A 54 -3.490 5.264 1.486 1.00 0.00 C ATOM 811 OG1 THR A 54 -3.841 6.107 2.576 1.00 0.00 O ATOM 812 CG2 THR A 54 -2.359 5.910 0.683 1.00 0.00 C ATOM 0 H THR A 54 -5.251 7.130 0.492 1.00 0.00 H new ATOM 0 HA THR A 54 -4.497 4.290 -0.151 1.00 0.00 H new ATOM 0 HB THR A 54 -3.158 4.298 1.866 1.00 0.00 H new ATOM 0 HG1 THR A 54 -3.062 6.232 3.157 1.00 0.00 H new ATOM 0 HG21 THR A 54 -1.490 6.050 1.326 1.00 0.00 H new ATOM 0 HG22 THR A 54 -2.091 5.264 -0.153 1.00 0.00 H new ATOM 0 HG23 THR A 54 -2.689 6.877 0.303 1.00 0.00 H new ATOM 820 N LYS A 55 -5.839 3.521 2.072 1.00 0.00 N ATOM 821 CA LYS A 55 -6.969 3.059 2.928 1.00 0.00 C ATOM 822 C LYS A 55 -7.553 4.254 3.688 1.00 0.00 C ATOM 823 O LYS A 55 -6.850 4.952 4.391 1.00 0.00 O ATOM 824 CB LYS A 55 -6.443 2.034 3.935 1.00 0.00 C ATOM 825 CG LYS A 55 -7.583 1.580 4.847 1.00 0.00 C ATOM 826 CD LYS A 55 -8.729 1.029 3.999 1.00 0.00 C ATOM 827 CE LYS A 55 -8.174 0.052 2.962 1.00 0.00 C ATOM 828 NZ LYS A 55 -9.295 -0.711 2.352 1.00 0.00 N ATOM 0 H LYS A 55 -5.039 2.889 2.036 1.00 0.00 H new ATOM 0 HA LYS A 55 -7.742 2.608 2.306 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.020 1.177 3.410 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -5.641 2.471 4.529 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -7.227 0.815 5.537 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.934 2.416 5.451 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -9.457 0.525 4.635 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -9.252 1.846 3.501 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -7.627 0.595 2.191 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -7.468 -0.632 3.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -9.216 -1.714 2.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -10.200 -0.333 2.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -9.254 -0.620 1.317 1.00 0.00 H new