USER MOD reduce.3.24.130724 H: found=0, std=0, add=397, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 396 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 -96:sc= 0.122 USER MOD Set 1.2: A 47 THR OG1 : rot -89:sc= 0.788 USER MOD Set 2.1: A 33 ASN : amide:sc= -0.0736 K(o=0.25,f=-5.2!) USER MOD Set 2.2: A 36 ASN : amide:sc= 0.326 K(o=0.25,f=-0.38) USER MOD Set 3.1: A 26 SER OG : rot -10:sc= 0.429! USER MOD Set 3.2: A 51 SER OG : rot 180:sc= -0.123 USER MOD Set 4.1: A 17 THR OG1 : rot 150:sc= 0.0331 USER MOD Set 4.2: A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LEU N :NH3+ 150:sc= -0.556 (180deg=-2.25!) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= -0.22 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -5.19! C(o=-5.2!,f=-9.2!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 13:sc= 0.33 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -9.93! C(o=-9.9!,f=-20!) USER MOD Single : A 45 ASN : amide:sc= -0.651 X(o=-0.65,f=-0.26) USER MOD Single : A 49 THR OG1 : rot -84:sc= -4.47! USER MOD Single : A 52 HIS : no HD1:sc= -14.9! C(o=-15!,f=-21!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 13.690 6.624 9.370 1.00 0.00 N ATOM 2 CA LEU A 1 13.484 7.662 8.319 1.00 0.00 C ATOM 3 C LEU A 1 12.984 6.996 7.037 1.00 0.00 C ATOM 4 O LEU A 1 13.078 5.795 6.871 1.00 0.00 O ATOM 5 CB LEU A 1 14.809 8.378 8.041 1.00 0.00 C ATOM 6 CG LEU A 1 15.933 7.346 7.922 1.00 0.00 C ATOM 7 CD1 LEU A 1 15.960 6.780 6.501 1.00 0.00 C ATOM 8 CD2 LEU A 1 17.274 8.016 8.226 1.00 0.00 C ATOM 0 H1 LEU A 1 14.454 6.924 10.009 1.00 0.00 H new ATOM 0 H2 LEU A 1 12.812 6.502 9.914 1.00 0.00 H new ATOM 0 H3 LEU A 1 13.948 5.722 8.921 1.00 0.00 H new ATOM 0 HA LEU A 1 12.746 8.387 8.663 1.00 0.00 H new ATOM 0 HB2 LEU A 1 14.735 8.958 7.121 1.00 0.00 H new ATOM 0 HB3 LEU A 1 15.030 9.081 8.844 1.00 0.00 H new ATOM 0 HG LEU A 1 15.759 6.538 8.632 1.00 0.00 H new ATOM 0 HD11 LEU A 1 16.761 6.045 6.417 1.00 0.00 H new ATOM 0 HD12 LEU A 1 15.005 6.303 6.281 1.00 0.00 H new ATOM 0 HD13 LEU A 1 16.134 7.588 5.791 1.00 0.00 H new ATOM 0 HD21 LEU A 1 18.075 7.282 8.141 1.00 0.00 H new ATOM 0 HD22 LEU A 1 17.446 8.824 7.515 1.00 0.00 H new ATOM 0 HD23 LEU A 1 17.258 8.420 9.238 1.00 0.00 H new ATOM 22 N ALA A 2 12.452 7.765 6.126 1.00 0.00 N ATOM 23 CA ALA A 2 11.946 7.176 4.853 1.00 0.00 C ATOM 24 C ALA A 2 11.197 8.249 4.058 1.00 0.00 C ATOM 25 O ALA A 2 11.308 9.427 4.332 1.00 0.00 O ATOM 26 CB ALA A 2 10.997 6.018 5.168 1.00 0.00 C ATOM 0 H ALA A 2 12.346 8.776 6.208 1.00 0.00 H new ATOM 0 HA ALA A 2 12.785 6.807 4.264 1.00 0.00 H new ATOM 0 HB1 ALA A 2 10.627 5.587 4.238 1.00 0.00 H new ATOM 0 HB2 ALA A 2 11.530 5.254 5.734 1.00 0.00 H new ATOM 0 HB3 ALA A 2 10.157 6.386 5.757 1.00 0.00 H new ATOM 32 N ALA A 3 10.436 7.853 3.073 1.00 0.00 N ATOM 33 CA ALA A 3 9.685 8.853 2.264 1.00 0.00 C ATOM 34 C ALA A 3 8.205 8.470 2.214 1.00 0.00 C ATOM 35 O ALA A 3 7.851 7.309 2.283 1.00 0.00 O ATOM 36 CB ALA A 3 10.251 8.888 0.842 1.00 0.00 C ATOM 0 H ALA A 3 10.303 6.881 2.795 1.00 0.00 H new ATOM 0 HA ALA A 3 9.788 9.837 2.722 1.00 0.00 H new ATOM 0 HB1 ALA A 3 9.702 9.620 0.250 1.00 0.00 H new ATOM 0 HB2 ALA A 3 11.304 9.166 0.876 1.00 0.00 H new ATOM 0 HB3 ALA A 3 10.151 7.903 0.386 1.00 0.00 H new ATOM 42 N VAL A 4 7.337 9.437 2.094 1.00 0.00 N ATOM 43 CA VAL A 4 5.880 9.131 2.039 1.00 0.00 C ATOM 44 C VAL A 4 5.509 8.671 0.629 1.00 0.00 C ATOM 45 O VAL A 4 5.136 9.461 -0.215 1.00 0.00 O ATOM 46 CB VAL A 4 5.082 10.388 2.391 1.00 0.00 C ATOM 47 CG1 VAL A 4 5.485 11.527 1.451 1.00 0.00 C ATOM 48 CG2 VAL A 4 3.587 10.105 2.232 1.00 0.00 C ATOM 0 H VAL A 4 7.575 10.427 2.032 1.00 0.00 H new ATOM 0 HA VAL A 4 5.647 8.340 2.752 1.00 0.00 H new ATOM 0 HB VAL A 4 5.291 10.673 3.422 1.00 0.00 H new ATOM 0 HG11 VAL A 4 4.917 12.423 1.701 1.00 0.00 H new ATOM 0 HG12 VAL A 4 6.550 11.730 1.561 1.00 0.00 H new ATOM 0 HG13 VAL A 4 5.275 11.240 0.421 1.00 0.00 H new ATOM 0 HG21 VAL A 4 3.018 11.001 2.483 1.00 0.00 H new ATOM 0 HG22 VAL A 4 3.378 9.820 1.201 1.00 0.00 H new ATOM 0 HG23 VAL A 4 3.297 9.293 2.899 1.00 0.00 H new ATOM 58 N SER A 5 5.605 7.396 0.365 1.00 0.00 N ATOM 59 CA SER A 5 5.256 6.887 -0.991 1.00 0.00 C ATOM 60 C SER A 5 5.684 5.424 -1.113 1.00 0.00 C ATOM 61 O SER A 5 6.851 5.098 -1.017 1.00 0.00 O ATOM 62 CB SER A 5 5.982 7.718 -2.050 1.00 0.00 C ATOM 63 OG SER A 5 6.215 6.914 -3.198 1.00 0.00 O ATOM 0 H SER A 5 5.910 6.685 1.030 1.00 0.00 H new ATOM 0 HA SER A 5 4.179 6.965 -1.141 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.385 8.590 -2.317 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.927 8.089 -1.653 1.00 0.00 H new ATOM 0 HG SER A 5 6.679 7.444 -3.880 1.00 0.00 H new ATOM 69 N VAL A 6 4.751 4.539 -1.328 1.00 0.00 N ATOM 70 CA VAL A 6 5.109 3.101 -1.457 1.00 0.00 C ATOM 71 C VAL A 6 5.600 2.828 -2.883 1.00 0.00 C ATOM 72 O VAL A 6 5.834 3.734 -3.657 1.00 0.00 O ATOM 73 CB VAL A 6 3.875 2.233 -1.136 1.00 0.00 C ATOM 74 CG1 VAL A 6 3.092 1.904 -2.413 1.00 0.00 C ATOM 75 CG2 VAL A 6 4.334 0.929 -0.477 1.00 0.00 C ATOM 0 H VAL A 6 3.757 4.750 -1.420 1.00 0.00 H new ATOM 0 HA VAL A 6 5.905 2.852 -0.755 1.00 0.00 H new ATOM 0 HB VAL A 6 3.224 2.789 -0.461 1.00 0.00 H new ATOM 0 HG11 VAL A 6 2.226 1.291 -2.161 1.00 0.00 H new ATOM 0 HG12 VAL A 6 2.758 2.829 -2.883 1.00 0.00 H new ATOM 0 HG13 VAL A 6 3.735 1.358 -3.103 1.00 0.00 H new ATOM 0 HG21 VAL A 6 3.465 0.312 -0.248 1.00 0.00 H new ATOM 0 HG22 VAL A 6 4.993 0.390 -1.157 1.00 0.00 H new ATOM 0 HG23 VAL A 6 4.871 1.156 0.444 1.00 0.00 H new ATOM 85 N ASP A 7 5.739 1.582 -3.235 1.00 0.00 N ATOM 86 CA ASP A 7 6.193 1.238 -4.611 1.00 0.00 C ATOM 87 C ASP A 7 5.047 0.542 -5.343 1.00 0.00 C ATOM 88 O ASP A 7 4.594 -0.511 -4.940 1.00 0.00 O ATOM 89 CB ASP A 7 7.401 0.300 -4.537 1.00 0.00 C ATOM 90 CG ASP A 7 8.091 0.252 -5.901 1.00 0.00 C ATOM 91 OD1 ASP A 7 7.976 1.220 -6.634 1.00 0.00 O ATOM 92 OD2 ASP A 7 8.721 -0.752 -6.190 1.00 0.00 O ATOM 0 H ASP A 7 5.557 0.783 -2.627 1.00 0.00 H new ATOM 0 HA ASP A 7 6.481 2.144 -5.145 1.00 0.00 H new ATOM 0 HB2 ASP A 7 8.099 0.648 -3.776 1.00 0.00 H new ATOM 0 HB3 ASP A 7 7.082 -0.700 -4.243 1.00 0.00 H new ATOM 97 N CYS A 8 4.561 1.121 -6.408 1.00 0.00 N ATOM 98 CA CYS A 8 3.432 0.481 -7.137 1.00 0.00 C ATOM 99 C CYS A 8 3.828 0.180 -8.579 1.00 0.00 C ATOM 100 O CYS A 8 3.051 0.359 -9.496 1.00 0.00 O ATOM 101 CB CYS A 8 2.218 1.408 -7.128 1.00 0.00 C ATOM 102 SG CYS A 8 1.258 1.106 -5.636 1.00 0.00 S ATOM 0 H CYS A 8 4.894 2.001 -6.801 1.00 0.00 H new ATOM 0 HA CYS A 8 3.183 -0.454 -6.636 1.00 0.00 H new ATOM 0 HB2 CYS A 8 2.539 2.449 -7.164 1.00 0.00 H new ATOM 0 HB3 CYS A 8 1.605 1.233 -8.012 1.00 0.00 H new ATOM 107 N SER A 9 5.023 -0.283 -8.791 1.00 0.00 N ATOM 108 CA SER A 9 5.453 -0.601 -10.178 1.00 0.00 C ATOM 109 C SER A 9 5.137 -2.062 -10.495 1.00 0.00 C ATOM 110 O SER A 9 5.477 -2.564 -11.546 1.00 0.00 O ATOM 111 CB SER A 9 6.954 -0.356 -10.318 1.00 0.00 C ATOM 112 OG SER A 9 7.171 0.934 -10.874 1.00 0.00 O ATOM 0 H SER A 9 5.720 -0.455 -8.067 1.00 0.00 H new ATOM 0 HA SER A 9 4.916 0.041 -10.877 1.00 0.00 H new ATOM 0 HB2 SER A 9 7.438 -0.431 -9.344 1.00 0.00 H new ATOM 0 HB3 SER A 9 7.400 -1.119 -10.956 1.00 0.00 H new ATOM 0 HG SER A 9 8.134 1.094 -10.963 1.00 0.00 H new ATOM 118 N GLU A 10 4.491 -2.747 -9.594 1.00 0.00 N ATOM 119 CA GLU A 10 4.163 -4.181 -9.846 1.00 0.00 C ATOM 120 C GLU A 10 2.875 -4.570 -9.115 1.00 0.00 C ATOM 121 O GLU A 10 2.868 -5.469 -8.299 1.00 0.00 O ATOM 122 CB GLU A 10 5.299 -5.067 -9.332 1.00 0.00 C ATOM 123 CG GLU A 10 6.652 -4.465 -9.721 1.00 0.00 C ATOM 124 CD GLU A 10 6.984 -3.299 -8.790 1.00 0.00 C ATOM 125 OE1 GLU A 10 6.203 -3.044 -7.887 1.00 0.00 O ATOM 126 OE2 GLU A 10 8.016 -2.679 -8.993 1.00 0.00 O ATOM 0 H GLU A 10 4.176 -2.379 -8.696 1.00 0.00 H new ATOM 0 HA GLU A 10 4.031 -4.320 -10.919 1.00 0.00 H new ATOM 0 HB2 GLU A 10 5.233 -5.164 -8.248 1.00 0.00 H new ATOM 0 HB3 GLU A 10 5.205 -6.070 -9.748 1.00 0.00 H new ATOM 0 HG2 GLU A 10 7.431 -5.225 -9.659 1.00 0.00 H new ATOM 0 HG3 GLU A 10 6.624 -4.121 -10.755 1.00 0.00 H new ATOM 133 N TYR A 11 1.785 -3.914 -9.396 1.00 0.00 N ATOM 134 CA TYR A 11 0.521 -4.263 -8.723 1.00 0.00 C ATOM 135 C TYR A 11 -0.658 -3.927 -9.655 1.00 0.00 C ATOM 136 O TYR A 11 -0.588 -2.996 -10.432 1.00 0.00 O ATOM 137 CB TYR A 11 0.424 -3.492 -7.415 1.00 0.00 C ATOM 138 CG TYR A 11 1.641 -3.831 -6.580 1.00 0.00 C ATOM 139 CD1 TYR A 11 1.658 -4.982 -5.781 1.00 0.00 C ATOM 140 CD2 TYR A 11 2.761 -2.998 -6.622 1.00 0.00 C ATOM 141 CE1 TYR A 11 2.796 -5.294 -5.025 1.00 0.00 C ATOM 142 CE2 TYR A 11 3.898 -3.307 -5.865 1.00 0.00 C ATOM 143 CZ TYR A 11 3.915 -4.455 -5.066 1.00 0.00 C ATOM 144 OH TYR A 11 5.035 -4.763 -4.322 1.00 0.00 O ATOM 0 H TYR A 11 1.723 -3.149 -10.067 1.00 0.00 H new ATOM 0 HA TYR A 11 0.490 -5.329 -8.499 1.00 0.00 H new ATOM 0 HB2 TYR A 11 0.380 -2.420 -7.607 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -0.489 -3.758 -6.883 1.00 0.00 H new ATOM 0 HD1 TYR A 11 0.794 -5.629 -5.748 1.00 0.00 H new ATOM 0 HD2 TYR A 11 2.750 -2.113 -7.240 1.00 0.00 H new ATOM 0 HE1 TYR A 11 2.809 -6.182 -4.411 1.00 0.00 H new ATOM 0 HE2 TYR A 11 4.761 -2.659 -5.898 1.00 0.00 H new ATOM 0 HH TYR A 11 5.721 -4.078 -4.465 1.00 0.00 H new ATOM 154 N PRO A 12 -1.690 -4.727 -9.565 1.00 0.00 N ATOM 155 CA PRO A 12 -1.742 -5.846 -8.613 1.00 0.00 C ATOM 156 C PRO A 12 -0.794 -6.987 -9.005 1.00 0.00 C ATOM 157 O PRO A 12 -0.667 -7.348 -10.157 1.00 0.00 O ATOM 158 CB PRO A 12 -3.196 -6.318 -8.686 1.00 0.00 C ATOM 159 CG PRO A 12 -3.721 -5.850 -10.064 1.00 0.00 C ATOM 160 CD PRO A 12 -2.890 -4.607 -10.421 1.00 0.00 C ATOM 0 HA PRO A 12 -1.430 -5.540 -7.614 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -3.261 -7.402 -8.590 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -3.787 -5.890 -7.876 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -3.601 -6.631 -10.815 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -4.784 -5.612 -10.019 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -2.627 -4.592 -11.479 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -3.438 -3.687 -10.216 1.00 0.00 H new ATOM 168 N LYS A 13 -0.132 -7.546 -8.028 1.00 0.00 N ATOM 169 CA LYS A 13 0.818 -8.664 -8.280 1.00 0.00 C ATOM 170 C LYS A 13 0.134 -9.990 -7.929 1.00 0.00 C ATOM 171 O LYS A 13 -0.668 -10.042 -7.018 1.00 0.00 O ATOM 172 CB LYS A 13 2.040 -8.480 -7.377 1.00 0.00 C ATOM 173 CG LYS A 13 3.312 -8.382 -8.223 1.00 0.00 C ATOM 174 CD LYS A 13 4.536 -8.401 -7.305 1.00 0.00 C ATOM 175 CE LYS A 13 5.427 -9.592 -7.665 1.00 0.00 C ATOM 176 NZ LYS A 13 6.838 -9.289 -7.291 1.00 0.00 N ATOM 0 H LYS A 13 -0.212 -7.269 -7.050 1.00 0.00 H new ATOM 0 HA LYS A 13 1.121 -8.671 -9.327 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.924 -7.579 -6.775 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.119 -9.318 -6.684 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.359 -9.213 -8.927 1.00 0.00 H new ATOM 0 HG3 LYS A 13 3.300 -7.465 -8.813 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.095 -7.471 -7.408 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.222 -8.470 -6.264 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.085 -10.486 -7.143 1.00 0.00 H new ATOM 0 HE3 LYS A 13 5.359 -9.801 -8.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 7.443 -10.098 -7.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 7.161 -8.446 -7.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.895 -9.111 -6.268 1.00 0.00 H new ATOM 190 N PRO A 14 0.473 -11.024 -8.657 1.00 0.00 N ATOM 191 CA PRO A 14 -0.093 -12.369 -8.433 1.00 0.00 C ATOM 192 C PRO A 14 0.591 -13.052 -7.245 1.00 0.00 C ATOM 193 O PRO A 14 0.461 -14.242 -7.035 1.00 0.00 O ATOM 194 CB PRO A 14 0.210 -13.104 -9.740 1.00 0.00 C ATOM 195 CG PRO A 14 1.399 -12.361 -10.392 1.00 0.00 C ATOM 196 CD PRO A 14 1.431 -10.950 -9.781 1.00 0.00 C ATOM 0 HA PRO A 14 -1.157 -12.353 -8.195 1.00 0.00 H new ATOM 0 HB2 PRO A 14 0.461 -14.147 -9.550 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -0.659 -13.100 -10.398 1.00 0.00 H new ATOM 0 HG2 PRO A 14 2.335 -12.886 -10.201 1.00 0.00 H new ATOM 0 HG3 PRO A 14 1.277 -12.311 -11.474 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.431 -10.687 -9.436 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.135 -10.194 -10.508 1.00 0.00 H new ATOM 204 N ALA A 15 1.314 -12.300 -6.468 1.00 0.00 N ATOM 205 CA ALA A 15 2.014 -12.878 -5.286 1.00 0.00 C ATOM 206 C ALA A 15 2.529 -11.732 -4.410 1.00 0.00 C ATOM 207 O ALA A 15 3.419 -11.000 -4.794 1.00 0.00 O ATOM 208 CB ALA A 15 3.190 -13.733 -5.759 1.00 0.00 C ATOM 0 H ALA A 15 1.453 -11.298 -6.601 1.00 0.00 H new ATOM 0 HA ALA A 15 1.327 -13.501 -4.713 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.703 -14.156 -4.895 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.822 -14.539 -6.393 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.885 -13.114 -6.326 1.00 0.00 H new ATOM 214 N CYS A 16 1.968 -11.560 -3.240 1.00 0.00 N ATOM 215 CA CYS A 16 2.424 -10.448 -2.356 1.00 0.00 C ATOM 216 C CYS A 16 3.504 -10.947 -1.396 1.00 0.00 C ATOM 217 O CYS A 16 3.402 -12.017 -0.831 1.00 0.00 O ATOM 218 CB CYS A 16 1.239 -9.912 -1.548 1.00 0.00 C ATOM 219 SG CYS A 16 -0.086 -9.432 -2.679 1.00 0.00 S ATOM 0 H CYS A 16 1.218 -12.139 -2.861 1.00 0.00 H new ATOM 0 HA CYS A 16 2.835 -9.652 -2.977 1.00 0.00 H new ATOM 0 HB2 CYS A 16 0.883 -10.674 -0.854 1.00 0.00 H new ATOM 0 HB3 CYS A 16 1.550 -9.056 -0.949 1.00 0.00 H new ATOM 224 N THR A 17 4.534 -10.170 -1.200 1.00 0.00 N ATOM 225 CA THR A 17 5.612 -10.592 -0.266 1.00 0.00 C ATOM 226 C THR A 17 4.987 -10.886 1.097 1.00 0.00 C ATOM 227 O THR A 17 3.782 -10.980 1.223 1.00 0.00 O ATOM 228 CB THR A 17 6.641 -9.467 -0.132 1.00 0.00 C ATOM 229 OG1 THR A 17 5.980 -8.211 -0.202 1.00 0.00 O ATOM 230 CG2 THR A 17 7.663 -9.573 -1.264 1.00 0.00 C ATOM 0 H THR A 17 4.674 -9.263 -1.646 1.00 0.00 H new ATOM 0 HA THR A 17 6.110 -11.484 -0.646 1.00 0.00 H new ATOM 0 HB THR A 17 7.153 -9.554 0.826 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.474 -7.551 0.328 1.00 0.00 H new ATOM 0 HG21 THR A 17 8.396 -8.772 -1.169 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.169 -10.537 -1.208 1.00 0.00 H new ATOM 0 HG23 THR A 17 7.153 -9.486 -2.224 1.00 0.00 H new ATOM 238 N LEU A 18 5.780 -11.034 2.119 1.00 0.00 N ATOM 239 CA LEU A 18 5.197 -11.323 3.456 1.00 0.00 C ATOM 240 C LEU A 18 5.570 -10.210 4.438 1.00 0.00 C ATOM 241 O LEU A 18 4.973 -10.076 5.487 1.00 0.00 O ATOM 242 CB LEU A 18 5.731 -12.664 3.972 1.00 0.00 C ATOM 243 CG LEU A 18 7.255 -12.593 4.103 1.00 0.00 C ATOM 244 CD1 LEU A 18 7.693 -13.301 5.388 1.00 0.00 C ATOM 245 CD2 LEU A 18 7.902 -13.281 2.899 1.00 0.00 C ATOM 0 H LEU A 18 6.797 -10.968 2.088 1.00 0.00 H new ATOM 0 HA LEU A 18 4.112 -11.375 3.369 1.00 0.00 H new ATOM 0 HB2 LEU A 18 5.283 -12.898 4.938 1.00 0.00 H new ATOM 0 HB3 LEU A 18 5.451 -13.466 3.288 1.00 0.00 H new ATOM 0 HG LEU A 18 7.567 -11.549 4.139 1.00 0.00 H new ATOM 0 HD11 LEU A 18 8.778 -13.250 5.480 1.00 0.00 H new ATOM 0 HD12 LEU A 18 7.233 -12.813 6.247 1.00 0.00 H new ATOM 0 HD13 LEU A 18 7.381 -14.345 5.353 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.987 -13.231 2.991 1.00 0.00 H new ATOM 0 HD22 LEU A 18 7.588 -14.324 2.864 1.00 0.00 H new ATOM 0 HD23 LEU A 18 7.592 -12.778 1.983 1.00 0.00 H new ATOM 257 N GLU A 19 6.545 -9.408 4.109 1.00 0.00 N ATOM 258 CA GLU A 19 6.937 -8.308 5.034 1.00 0.00 C ATOM 259 C GLU A 19 5.673 -7.606 5.532 1.00 0.00 C ATOM 260 O GLU A 19 4.852 -7.161 4.754 1.00 0.00 O ATOM 261 CB GLU A 19 7.826 -7.308 4.295 1.00 0.00 C ATOM 262 CG GLU A 19 9.168 -7.967 3.973 1.00 0.00 C ATOM 263 CD GLU A 19 9.473 -7.810 2.482 1.00 0.00 C ATOM 264 OE1 GLU A 19 8.557 -7.490 1.740 1.00 0.00 O ATOM 265 OE2 GLU A 19 10.615 -8.013 2.106 1.00 0.00 O ATOM 0 H GLU A 19 7.084 -9.466 3.245 1.00 0.00 H new ATOM 0 HA GLU A 19 7.489 -8.716 5.881 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.339 -6.980 3.377 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.981 -6.420 4.908 1.00 0.00 H new ATOM 0 HG2 GLU A 19 9.960 -7.511 4.566 1.00 0.00 H new ATOM 0 HG3 GLU A 19 9.139 -9.024 4.239 1.00 0.00 H new ATOM 272 N TYR A 20 5.504 -7.515 6.822 1.00 0.00 N ATOM 273 CA TYR A 20 4.284 -6.854 7.367 1.00 0.00 C ATOM 274 C TYR A 20 4.474 -5.336 7.384 1.00 0.00 C ATOM 275 O TYR A 20 5.024 -4.778 8.313 1.00 0.00 O ATOM 276 CB TYR A 20 4.026 -7.349 8.792 1.00 0.00 C ATOM 277 CG TYR A 20 2.732 -6.760 9.303 1.00 0.00 C ATOM 278 CD1 TYR A 20 1.604 -6.721 8.474 1.00 0.00 C ATOM 279 CD2 TYR A 20 2.660 -6.255 10.607 1.00 0.00 C ATOM 280 CE1 TYR A 20 0.404 -6.177 8.950 1.00 0.00 C ATOM 281 CE2 TYR A 20 1.460 -5.712 11.083 1.00 0.00 C ATOM 282 CZ TYR A 20 0.332 -5.673 10.254 1.00 0.00 C ATOM 283 OH TYR A 20 -0.849 -5.137 10.723 1.00 0.00 O ATOM 0 H TYR A 20 6.156 -7.869 7.522 1.00 0.00 H new ATOM 0 HA TYR A 20 3.433 -7.102 6.733 1.00 0.00 H new ATOM 0 HB2 TYR A 20 3.973 -8.438 8.806 1.00 0.00 H new ATOM 0 HB3 TYR A 20 4.851 -7.061 9.443 1.00 0.00 H new ATOM 0 HD1 TYR A 20 1.659 -7.110 7.468 1.00 0.00 H new ATOM 0 HD2 TYR A 20 3.530 -6.284 11.246 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -0.466 -6.146 8.311 1.00 0.00 H new ATOM 0 HE2 TYR A 20 1.405 -5.323 12.089 1.00 0.00 H new ATOM 0 HH TYR A 20 -0.727 -4.834 11.647 1.00 0.00 H new ATOM 293 N ARG A 21 4.005 -4.663 6.369 1.00 0.00 N ATOM 294 CA ARG A 21 4.137 -3.179 6.326 1.00 0.00 C ATOM 295 C ARG A 21 2.737 -2.569 6.249 1.00 0.00 C ATOM 296 O ARG A 21 2.200 -2.379 5.179 1.00 0.00 O ATOM 297 CB ARG A 21 4.943 -2.768 5.092 1.00 0.00 C ATOM 298 CG ARG A 21 6.044 -3.796 4.838 1.00 0.00 C ATOM 299 CD ARG A 21 7.335 -3.070 4.461 1.00 0.00 C ATOM 300 NE ARG A 21 8.206 -2.948 5.663 1.00 0.00 N ATOM 301 CZ ARG A 21 8.678 -1.781 6.011 1.00 0.00 C ATOM 302 NH1 ARG A 21 7.866 -0.774 6.184 1.00 0.00 N ATOM 303 NH2 ARG A 21 9.961 -1.623 6.186 1.00 0.00 N ATOM 0 H ARG A 21 3.535 -5.079 5.565 1.00 0.00 H new ATOM 0 HA ARG A 21 4.652 -2.825 7.219 1.00 0.00 H new ATOM 0 HB2 ARG A 21 4.288 -2.698 4.223 1.00 0.00 H new ATOM 0 HB3 ARG A 21 5.380 -1.781 5.242 1.00 0.00 H new ATOM 0 HG2 ARG A 21 6.202 -4.404 5.729 1.00 0.00 H new ATOM 0 HG3 ARG A 21 5.747 -4.474 4.038 1.00 0.00 H new ATOM 0 HD2 ARG A 21 7.856 -3.617 3.675 1.00 0.00 H new ATOM 0 HD3 ARG A 21 7.106 -2.081 4.063 1.00 0.00 H new ATOM 0 HE ARG A 21 8.434 -3.775 6.214 1.00 0.00 H new ATOM 0 HH11 ARG A 21 6.863 -0.898 6.047 1.00 0.00 H new ATOM 0 HH12 ARG A 21 8.235 0.137 6.456 1.00 0.00 H new ATOM 0 HH21 ARG A 21 10.595 -2.411 6.051 1.00 0.00 H new ATOM 0 HH22 ARG A 21 10.330 -0.712 6.458 1.00 0.00 H new ATOM 317 N PRO A 22 2.180 -2.284 7.389 1.00 0.00 N ATOM 318 CA PRO A 22 0.827 -1.716 7.475 1.00 0.00 C ATOM 319 C PRO A 22 0.802 -0.288 6.936 1.00 0.00 C ATOM 320 O PRO A 22 1.200 0.641 7.605 1.00 0.00 O ATOM 321 CB PRO A 22 0.501 -1.774 8.971 1.00 0.00 C ATOM 322 CG PRO A 22 1.859 -1.869 9.704 1.00 0.00 C ATOM 323 CD PRO A 22 2.850 -2.470 8.693 1.00 0.00 C ATOM 0 HA PRO A 22 0.094 -2.258 6.877 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -0.049 -0.887 9.284 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -0.126 -2.636 9.200 1.00 0.00 H new ATOM 0 HG2 PRO A 22 2.191 -0.886 10.038 1.00 0.00 H new ATOM 0 HG3 PRO A 22 1.779 -2.497 10.592 1.00 0.00 H new ATOM 0 HD2 PRO A 22 3.813 -1.959 8.725 1.00 0.00 H new ATOM 0 HD3 PRO A 22 3.041 -3.523 8.898 1.00 0.00 H new ATOM 331 N LEU A 23 0.336 -0.107 5.724 1.00 0.00 N ATOM 332 CA LEU A 23 0.287 1.261 5.144 1.00 0.00 C ATOM 333 C LEU A 23 -1.125 1.816 5.298 1.00 0.00 C ATOM 334 O LEU A 23 -2.086 1.226 4.845 1.00 0.00 O ATOM 335 CB LEU A 23 0.645 1.184 3.662 1.00 0.00 C ATOM 336 CG LEU A 23 1.890 0.318 3.484 1.00 0.00 C ATOM 337 CD1 LEU A 23 1.741 -0.526 2.223 1.00 0.00 C ATOM 338 CD2 LEU A 23 3.124 1.213 3.359 1.00 0.00 C ATOM 0 H LEU A 23 -0.011 -0.849 5.116 1.00 0.00 H new ATOM 0 HA LEU A 23 0.994 1.912 5.659 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.187 0.764 3.097 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.825 2.184 3.268 1.00 0.00 H new ATOM 0 HG LEU A 23 2.006 -0.335 4.349 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.628 -1.146 2.093 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.863 -1.165 2.314 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.625 0.128 1.359 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.012 0.593 3.232 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.012 1.868 2.495 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.229 1.816 4.261 1.00 0.00 H new ATOM 350 N CYS A 24 -1.266 2.940 5.942 1.00 0.00 N ATOM 351 CA CYS A 24 -2.625 3.515 6.125 1.00 0.00 C ATOM 352 C CYS A 24 -3.037 4.268 4.861 1.00 0.00 C ATOM 353 O CYS A 24 -2.288 5.057 4.320 1.00 0.00 O ATOM 354 CB CYS A 24 -2.614 4.476 7.328 1.00 0.00 C ATOM 355 SG CYS A 24 -3.921 5.730 7.182 1.00 0.00 S ATOM 0 H CYS A 24 -0.503 3.482 6.347 1.00 0.00 H new ATOM 0 HA CYS A 24 -3.340 2.713 6.311 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -2.751 3.910 8.250 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -1.643 4.966 7.396 1.00 0.00 H new ATOM 360 N GLY A 25 -4.240 4.062 4.416 1.00 0.00 N ATOM 361 CA GLY A 25 -4.729 4.795 3.222 1.00 0.00 C ATOM 362 C GLY A 25 -4.710 6.289 3.562 1.00 0.00 C ATOM 363 O GLY A 25 -4.314 6.665 4.646 1.00 0.00 O ATOM 0 H GLY A 25 -4.910 3.414 4.830 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.095 4.590 2.359 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.737 4.474 2.961 1.00 0.00 H new ATOM 367 N SER A 26 -5.118 7.154 2.676 1.00 0.00 N ATOM 368 CA SER A 26 -5.083 8.604 3.036 1.00 0.00 C ATOM 369 C SER A 26 -6.395 9.002 3.705 1.00 0.00 C ATOM 370 O SER A 26 -6.528 10.089 4.232 1.00 0.00 O ATOM 371 CB SER A 26 -4.865 9.447 1.784 1.00 0.00 C ATOM 372 OG SER A 26 -5.091 10.815 2.095 1.00 0.00 O ATOM 0 H SER A 26 -5.465 6.932 1.743 1.00 0.00 H new ATOM 0 HA SER A 26 -4.260 8.778 3.729 1.00 0.00 H new ATOM 0 HB2 SER A 26 -3.850 9.310 1.411 1.00 0.00 H new ATOM 0 HB3 SER A 26 -5.542 9.125 0.992 1.00 0.00 H new ATOM 0 HG SER A 26 -5.485 10.886 2.989 1.00 0.00 H new ATOM 378 N ASP A 27 -7.361 8.129 3.711 1.00 0.00 N ATOM 379 CA ASP A 27 -8.650 8.462 4.371 1.00 0.00 C ATOM 380 C ASP A 27 -8.590 7.971 5.815 1.00 0.00 C ATOM 381 O ASP A 27 -9.060 8.630 6.719 1.00 0.00 O ATOM 382 CB ASP A 27 -9.800 7.767 3.639 1.00 0.00 C ATOM 383 CG ASP A 27 -9.656 6.251 3.789 1.00 0.00 C ATOM 384 OD1 ASP A 27 -8.808 5.688 3.117 1.00 0.00 O ATOM 385 OD2 ASP A 27 -10.396 5.680 4.573 1.00 0.00 O ATOM 0 H ASP A 27 -7.314 7.202 3.288 1.00 0.00 H new ATOM 0 HA ASP A 27 -8.817 9.539 4.346 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -10.756 8.095 4.047 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -9.793 8.041 2.584 1.00 0.00 H new ATOM 390 N ASN A 28 -7.989 6.820 6.014 1.00 0.00 N ATOM 391 CA ASN A 28 -7.844 6.221 7.384 1.00 0.00 C ATOM 392 C ASN A 28 -7.985 4.701 7.285 1.00 0.00 C ATOM 393 O ASN A 28 -8.595 4.071 8.127 1.00 0.00 O ATOM 394 CB ASN A 28 -8.917 6.749 8.345 1.00 0.00 C ATOM 395 CG ASN A 28 -10.299 6.625 7.698 1.00 0.00 C ATOM 396 OD1 ASN A 28 -10.589 5.646 7.037 1.00 0.00 O ATOM 397 ND2 ASN A 28 -11.170 7.582 7.862 1.00 0.00 N ATOM 0 H ASN A 28 -7.583 6.257 5.267 1.00 0.00 H new ATOM 0 HA ASN A 28 -6.863 6.498 7.771 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -8.891 6.187 9.278 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -8.714 7.791 8.594 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -12.094 7.509 7.436 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -10.927 8.403 8.416 1.00 0.00 H new ATOM 404 N LYS A 29 -7.427 4.104 6.269 1.00 0.00 N ATOM 405 CA LYS A 29 -7.535 2.624 6.130 1.00 0.00 C ATOM 406 C LYS A 29 -6.198 1.980 6.498 1.00 0.00 C ATOM 407 O LYS A 29 -5.293 2.637 6.968 1.00 0.00 O ATOM 408 CB LYS A 29 -7.890 2.269 4.686 1.00 0.00 C ATOM 409 CG LYS A 29 -8.961 1.177 4.681 1.00 0.00 C ATOM 410 CD LYS A 29 -10.289 1.768 4.204 1.00 0.00 C ATOM 411 CE LYS A 29 -10.498 1.436 2.727 1.00 0.00 C ATOM 412 NZ LYS A 29 -11.070 2.621 2.031 1.00 0.00 N ATOM 0 H LYS A 29 -6.903 4.574 5.531 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.314 2.254 6.796 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -8.253 3.153 4.161 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.002 1.926 4.155 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.659 0.359 4.027 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.075 0.760 5.681 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -11.111 1.367 4.797 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -10.290 2.848 4.348 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.550 1.153 2.269 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -11.168 0.582 2.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.213 2.397 1.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -11.982 2.871 2.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -10.415 3.424 2.117 1.00 0.00 H new ATOM 426 N THR A 30 -6.066 0.699 6.285 1.00 0.00 N ATOM 427 CA THR A 30 -4.787 0.013 6.615 1.00 0.00 C ATOM 428 C THR A 30 -4.659 -1.249 5.756 1.00 0.00 C ATOM 429 O THR A 30 -5.600 -1.999 5.591 1.00 0.00 O ATOM 430 CB THR A 30 -4.772 -0.383 8.099 1.00 0.00 C ATOM 431 OG1 THR A 30 -4.517 0.767 8.894 1.00 0.00 O ATOM 432 CG2 THR A 30 -3.675 -1.428 8.348 1.00 0.00 C ATOM 0 H THR A 30 -6.792 0.097 5.895 1.00 0.00 H new ATOM 0 HA THR A 30 -3.954 0.688 6.415 1.00 0.00 H new ATOM 0 HB THR A 30 -5.740 -0.806 8.367 1.00 0.00 H new ATOM 0 HG1 THR A 30 -4.609 1.572 8.343 1.00 0.00 H new ATOM 0 HG21 THR A 30 -3.669 -1.705 9.402 1.00 0.00 H new ATOM 0 HG22 THR A 30 -3.870 -2.312 7.741 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.706 -1.009 8.077 1.00 0.00 H new ATOM 440 N TYR A 31 -3.498 -1.490 5.223 1.00 0.00 N ATOM 441 CA TYR A 31 -3.289 -2.704 4.389 1.00 0.00 C ATOM 442 C TYR A 31 -2.104 -3.473 4.968 1.00 0.00 C ATOM 443 O TYR A 31 -1.147 -2.887 5.428 1.00 0.00 O ATOM 444 CB TYR A 31 -3.038 -2.278 2.946 1.00 0.00 C ATOM 445 CG TYR A 31 -4.367 -1.912 2.317 1.00 0.00 C ATOM 446 CD1 TYR A 31 -5.034 -0.749 2.721 1.00 0.00 C ATOM 447 CD2 TYR A 31 -4.939 -2.735 1.339 1.00 0.00 C ATOM 448 CE1 TYR A 31 -6.265 -0.407 2.146 1.00 0.00 C ATOM 449 CE2 TYR A 31 -6.169 -2.395 0.764 1.00 0.00 C ATOM 450 CZ TYR A 31 -6.832 -1.230 1.167 1.00 0.00 C ATOM 451 OH TYR A 31 -8.044 -0.895 0.600 1.00 0.00 O ATOM 0 H TYR A 31 -2.677 -0.894 5.329 1.00 0.00 H new ATOM 0 HA TYR A 31 -4.165 -3.352 4.396 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -2.357 -1.428 2.915 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -2.565 -3.086 2.389 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -4.598 -0.114 3.478 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -4.429 -3.635 1.027 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -6.776 0.492 2.458 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -6.607 -3.032 0.009 1.00 0.00 H new ATOM 0 HH TYR A 31 -8.294 -1.573 -0.062 1.00 0.00 H new ATOM 461 N GLY A 32 -2.176 -4.777 4.998 1.00 0.00 N ATOM 462 CA GLY A 32 -1.069 -5.560 5.613 1.00 0.00 C ATOM 463 C GLY A 32 0.286 -5.097 5.088 1.00 0.00 C ATOM 464 O GLY A 32 1.168 -4.761 5.853 1.00 0.00 O ATOM 0 H GLY A 32 -2.948 -5.329 4.626 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -1.100 -5.450 6.697 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.204 -6.620 5.396 1.00 0.00 H new ATOM 468 N ASN A 33 0.475 -5.066 3.802 1.00 0.00 N ATOM 469 CA ASN A 33 1.796 -4.611 3.287 1.00 0.00 C ATOM 470 C ASN A 33 1.632 -3.792 2.017 1.00 0.00 C ATOM 471 O ASN A 33 0.555 -3.361 1.664 1.00 0.00 O ATOM 472 CB ASN A 33 2.725 -5.802 3.028 1.00 0.00 C ATOM 473 CG ASN A 33 2.102 -6.777 2.033 1.00 0.00 C ATOM 474 OD1 ASN A 33 0.964 -6.625 1.634 1.00 0.00 O ATOM 475 ND2 ASN A 33 2.818 -7.786 1.617 1.00 0.00 N ATOM 0 H ASN A 33 -0.212 -5.330 3.095 1.00 0.00 H new ATOM 0 HA ASN A 33 2.248 -3.979 4.052 1.00 0.00 H new ATOM 0 HB2 ASN A 33 3.680 -5.445 2.643 1.00 0.00 H new ATOM 0 HB3 ASN A 33 2.932 -6.317 3.966 1.00 0.00 H new ATOM 0 HD21 ASN A 33 2.423 -8.452 0.953 1.00 0.00 H new ATOM 0 HD22 ASN A 33 3.772 -7.908 1.956 1.00 0.00 H new ATOM 482 N LYS A 34 2.718 -3.549 1.357 1.00 0.00 N ATOM 483 CA LYS A 34 2.710 -2.730 0.130 1.00 0.00 C ATOM 484 C LYS A 34 1.933 -3.411 -1.001 1.00 0.00 C ATOM 485 O LYS A 34 1.467 -2.759 -1.912 1.00 0.00 O ATOM 486 CB LYS A 34 4.162 -2.561 -0.289 1.00 0.00 C ATOM 487 CG LYS A 34 4.672 -3.885 -0.866 1.00 0.00 C ATOM 488 CD LYS A 34 6.198 -3.867 -0.922 1.00 0.00 C ATOM 489 CE LYS A 34 6.681 -5.083 -1.710 1.00 0.00 C ATOM 490 NZ LYS A 34 7.928 -5.614 -1.091 1.00 0.00 N ATOM 0 H LYS A 34 3.639 -3.896 1.627 1.00 0.00 H new ATOM 0 HA LYS A 34 2.223 -1.775 0.326 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.250 -1.768 -1.032 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.769 -2.265 0.567 1.00 0.00 H new ATOM 0 HG2 LYS A 34 4.331 -4.717 -0.250 1.00 0.00 H new ATOM 0 HG3 LYS A 34 4.263 -4.039 -1.865 1.00 0.00 H new ATOM 0 HD2 LYS A 34 6.547 -2.949 -1.395 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.612 -3.883 0.086 1.00 0.00 H new ATOM 0 HE2 LYS A 34 5.910 -5.854 -1.719 1.00 0.00 H new ATOM 0 HE3 LYS A 34 6.867 -4.807 -2.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 8.257 -6.442 -1.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 8.663 -4.878 -1.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 7.736 -5.893 -0.108 1.00 0.00 H new ATOM 504 N CYS A 35 1.808 -4.705 -0.975 1.00 0.00 N ATOM 505 CA CYS A 35 1.075 -5.389 -2.076 1.00 0.00 C ATOM 506 C CYS A 35 -0.430 -5.188 -1.895 1.00 0.00 C ATOM 507 O CYS A 35 -1.151 -4.953 -2.842 1.00 0.00 O ATOM 508 CB CYS A 35 1.390 -6.879 -2.057 1.00 0.00 C ATOM 509 SG CYS A 35 0.558 -7.682 -3.449 1.00 0.00 S ATOM 0 H CYS A 35 2.177 -5.316 -0.247 1.00 0.00 H new ATOM 0 HA CYS A 35 1.388 -4.964 -3.030 1.00 0.00 H new ATOM 0 HB2 CYS A 35 2.467 -7.036 -2.122 1.00 0.00 H new ATOM 0 HB3 CYS A 35 1.060 -7.321 -1.117 1.00 0.00 H new ATOM 514 N ASN A 36 -0.911 -5.280 -0.687 1.00 0.00 N ATOM 515 CA ASN A 36 -2.369 -5.093 -0.459 1.00 0.00 C ATOM 516 C ASN A 36 -2.698 -3.596 -0.495 1.00 0.00 C ATOM 517 O ASN A 36 -3.770 -3.195 -0.902 1.00 0.00 O ATOM 518 CB ASN A 36 -2.750 -5.687 0.902 1.00 0.00 C ATOM 519 CG ASN A 36 -2.843 -7.209 0.781 1.00 0.00 C ATOM 520 OD1 ASN A 36 -3.908 -7.748 0.555 1.00 0.00 O ATOM 521 ND2 ASN A 36 -1.766 -7.930 0.925 1.00 0.00 N ATOM 0 H ASN A 36 -0.360 -5.476 0.149 1.00 0.00 H new ATOM 0 HA ASN A 36 -2.936 -5.601 -1.239 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -2.007 -5.415 1.651 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -3.704 -5.278 1.236 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -1.818 -8.946 0.848 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -0.871 -7.478 1.115 1.00 0.00 H new ATOM 528 N PHE A 37 -1.779 -2.767 -0.076 1.00 0.00 N ATOM 529 CA PHE A 37 -2.025 -1.292 -0.084 1.00 0.00 C ATOM 530 C PHE A 37 -1.835 -0.752 -1.473 1.00 0.00 C ATOM 531 O PHE A 37 -2.452 0.209 -1.892 1.00 0.00 O ATOM 532 CB PHE A 37 -1.010 -0.593 0.813 1.00 0.00 C ATOM 533 CG PHE A 37 -1.480 0.808 1.048 1.00 0.00 C ATOM 534 CD1 PHE A 37 -2.542 1.106 1.902 1.00 0.00 C ATOM 535 CD2 PHE A 37 -0.846 1.813 0.331 1.00 0.00 C ATOM 536 CE1 PHE A 37 -2.971 2.435 2.035 1.00 0.00 C ATOM 537 CE2 PHE A 37 -1.253 3.132 0.457 1.00 0.00 C ATOM 538 CZ PHE A 37 -2.320 3.453 1.306 1.00 0.00 C ATOM 0 H PHE A 37 -0.863 -3.048 0.274 1.00 0.00 H new ATOM 0 HA PHE A 37 -3.041 -1.113 0.267 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -0.910 -1.124 1.760 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -0.026 -0.590 0.344 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -3.031 0.319 2.457 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -0.029 1.565 -0.330 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -3.794 2.677 2.691 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -0.749 3.910 -0.098 1.00 0.00 H new ATOM 0 HZ PHE A 37 -2.644 4.479 1.403 1.00 0.00 H new ATOM 548 N CYS A 38 -0.952 -1.350 -2.170 1.00 0.00 N ATOM 549 CA CYS A 38 -0.658 -0.862 -3.540 1.00 0.00 C ATOM 550 C CYS A 38 -1.726 -1.338 -4.508 1.00 0.00 C ATOM 551 O CYS A 38 -2.283 -0.558 -5.238 1.00 0.00 O ATOM 552 CB CYS A 38 0.705 -1.354 -4.015 1.00 0.00 C ATOM 553 SG CYS A 38 0.909 -0.875 -5.736 1.00 0.00 S ATOM 0 H CYS A 38 -0.411 -2.159 -1.865 1.00 0.00 H new ATOM 0 HA CYS A 38 -0.649 0.228 -3.511 1.00 0.00 H new ATOM 0 HB2 CYS A 38 1.498 -0.923 -3.404 1.00 0.00 H new ATOM 0 HB3 CYS A 38 0.775 -2.437 -3.911 1.00 0.00 H new ATOM 558 N ASN A 39 -2.014 -2.604 -4.541 1.00 0.00 N ATOM 559 CA ASN A 39 -3.054 -3.075 -5.493 1.00 0.00 C ATOM 560 C ASN A 39 -4.309 -2.247 -5.266 1.00 0.00 C ATOM 561 O ASN A 39 -4.935 -1.798 -6.198 1.00 0.00 O ATOM 562 CB ASN A 39 -3.370 -4.555 -5.254 1.00 0.00 C ATOM 563 CG ASN A 39 -2.075 -5.366 -5.219 1.00 0.00 C ATOM 564 OD1 ASN A 39 -0.998 -4.812 -5.167 1.00 0.00 O ATOM 565 ND2 ASN A 39 -2.136 -6.669 -5.241 1.00 0.00 N ATOM 0 H ASN A 39 -1.584 -3.324 -3.961 1.00 0.00 H new ATOM 0 HA ASN A 39 -2.695 -2.962 -6.516 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -3.909 -4.673 -4.314 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -4.022 -4.929 -6.044 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -1.278 -7.220 -5.214 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -3.042 -7.136 -5.285 1.00 0.00 H new ATOM 572 N ALA A 40 -4.670 -2.028 -4.031 1.00 0.00 N ATOM 573 CA ALA A 40 -5.877 -1.207 -3.743 1.00 0.00 C ATOM 574 C ALA A 40 -5.660 0.196 -4.313 1.00 0.00 C ATOM 575 O ALA A 40 -6.577 0.847 -4.772 1.00 0.00 O ATOM 576 CB ALA A 40 -6.082 -1.117 -2.229 1.00 0.00 C ATOM 0 H ALA A 40 -4.180 -2.383 -3.210 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.757 -1.663 -4.197 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.966 -0.516 -2.017 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.217 -2.118 -1.820 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.209 -0.653 -1.771 1.00 0.00 H new ATOM 582 N VAL A 41 -4.442 0.662 -4.282 1.00 0.00 N ATOM 583 CA VAL A 41 -4.139 2.019 -4.819 1.00 0.00 C ATOM 584 C VAL A 41 -4.280 2.028 -6.344 1.00 0.00 C ATOM 585 O VAL A 41 -4.703 3.001 -6.934 1.00 0.00 O ATOM 586 CB VAL A 41 -2.692 2.380 -4.475 1.00 0.00 C ATOM 587 CG1 VAL A 41 -2.269 3.610 -5.286 1.00 0.00 C ATOM 588 CG2 VAL A 41 -2.572 2.674 -2.977 1.00 0.00 C ATOM 0 H VAL A 41 -3.639 0.158 -3.906 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.834 2.734 -4.380 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.040 1.543 -4.723 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.239 3.869 -5.043 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.346 3.388 -6.350 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.921 4.449 -5.042 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.540 2.930 -2.738 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.223 3.509 -2.717 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.868 1.792 -2.408 1.00 0.00 H new ATOM 598 N VAL A 42 -3.890 0.964 -6.985 1.00 0.00 N ATOM 599 CA VAL A 42 -3.953 0.918 -8.466 1.00 0.00 C ATOM 600 C VAL A 42 -5.321 0.389 -8.928 1.00 0.00 C ATOM 601 O VAL A 42 -5.683 0.518 -10.081 1.00 0.00 O ATOM 602 CB VAL A 42 -2.794 0.038 -8.995 1.00 0.00 C ATOM 603 CG1 VAL A 42 -2.440 -1.078 -8.010 1.00 0.00 C ATOM 604 CG2 VAL A 42 -3.178 -0.579 -10.333 1.00 0.00 C ATOM 0 H VAL A 42 -3.528 0.120 -6.541 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.841 1.923 -8.873 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.922 0.680 -9.116 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -1.623 -1.675 -8.415 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.134 -0.641 -7.060 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.311 -1.714 -7.853 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.357 -1.196 -10.698 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.068 -1.196 -10.207 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.384 0.213 -11.053 1.00 0.00 H new ATOM 614 N GLU A 43 -6.094 -0.181 -8.045 1.00 0.00 N ATOM 615 CA GLU A 43 -7.427 -0.679 -8.432 1.00 0.00 C ATOM 616 C GLU A 43 -8.450 0.416 -8.140 1.00 0.00 C ATOM 617 O GLU A 43 -9.525 0.454 -8.704 1.00 0.00 O ATOM 618 CB GLU A 43 -7.769 -1.926 -7.615 1.00 0.00 C ATOM 619 CG GLU A 43 -7.508 -1.694 -6.149 1.00 0.00 C ATOM 620 CD GLU A 43 -8.830 -1.769 -5.383 1.00 0.00 C ATOM 621 OE1 GLU A 43 -9.264 -2.872 -5.097 1.00 0.00 O ATOM 622 OE2 GLU A 43 -9.386 -0.720 -5.096 1.00 0.00 O ATOM 0 H GLU A 43 -5.849 -0.320 -7.065 1.00 0.00 H new ATOM 0 HA GLU A 43 -7.438 -0.936 -9.491 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -8.816 -2.189 -7.765 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -7.175 -2.770 -7.966 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -6.811 -2.441 -5.769 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -7.043 -0.720 -6.000 1.00 0.00 H new ATOM 629 N SER A 44 -8.116 1.299 -7.236 1.00 0.00 N ATOM 630 CA SER A 44 -9.055 2.395 -6.864 1.00 0.00 C ATOM 631 C SER A 44 -8.737 3.649 -7.680 1.00 0.00 C ATOM 632 O SER A 44 -9.147 4.741 -7.337 1.00 0.00 O ATOM 633 CB SER A 44 -8.892 2.706 -5.373 1.00 0.00 C ATOM 634 OG SER A 44 -7.849 3.656 -5.202 1.00 0.00 O ATOM 0 H SER A 44 -7.227 1.307 -6.737 1.00 0.00 H new ATOM 0 HA SER A 44 -10.079 2.083 -7.070 1.00 0.00 H new ATOM 0 HB2 SER A 44 -9.825 3.097 -4.967 1.00 0.00 H new ATOM 0 HB3 SER A 44 -8.662 1.794 -4.823 1.00 0.00 H new ATOM 0 HG SER A 44 -7.012 3.190 -4.995 1.00 0.00 H new ATOM 640 N ASN A 45 -8.007 3.510 -8.750 1.00 0.00 N ATOM 641 CA ASN A 45 -7.664 4.703 -9.572 1.00 0.00 C ATOM 642 C ASN A 45 -6.758 5.625 -8.750 1.00 0.00 C ATOM 643 O ASN A 45 -6.570 6.781 -9.075 1.00 0.00 O ATOM 644 CB ASN A 45 -8.941 5.456 -9.961 1.00 0.00 C ATOM 645 CG ASN A 45 -9.334 5.090 -11.389 1.00 0.00 C ATOM 646 OD1 ASN A 45 -10.484 4.804 -11.661 1.00 0.00 O ATOM 647 ND2 ASN A 45 -8.424 5.088 -12.319 1.00 0.00 N ATOM 0 H ASN A 45 -7.634 2.624 -9.091 1.00 0.00 H new ATOM 0 HA ASN A 45 -7.151 4.386 -10.480 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -9.749 5.203 -9.274 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -8.780 6.531 -9.881 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -8.675 4.846 -13.278 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -7.460 5.328 -12.089 1.00 0.00 H new ATOM 654 N GLY A 46 -6.197 5.115 -7.686 1.00 0.00 N ATOM 655 CA GLY A 46 -5.303 5.948 -6.831 1.00 0.00 C ATOM 656 C GLY A 46 -6.147 6.892 -5.974 1.00 0.00 C ATOM 657 O GLY A 46 -5.679 7.910 -5.505 1.00 0.00 O ATOM 0 H GLY A 46 -6.320 4.153 -7.371 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -4.694 5.308 -6.193 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -4.618 6.522 -7.455 1.00 0.00 H new ATOM 661 N THR A 47 -7.385 6.550 -5.753 1.00 0.00 N ATOM 662 CA THR A 47 -8.260 7.412 -4.909 1.00 0.00 C ATOM 663 C THR A 47 -7.989 7.092 -3.437 1.00 0.00 C ATOM 664 O THR A 47 -8.352 7.833 -2.547 1.00 0.00 O ATOM 665 CB THR A 47 -9.732 7.127 -5.228 1.00 0.00 C ATOM 666 OG1 THR A 47 -10.042 5.785 -4.866 1.00 0.00 O ATOM 667 CG2 THR A 47 -9.985 7.336 -6.724 1.00 0.00 C ATOM 0 H THR A 47 -7.830 5.709 -6.121 1.00 0.00 H new ATOM 0 HA THR A 47 -8.048 8.462 -5.111 1.00 0.00 H new ATOM 0 HB THR A 47 -10.367 7.809 -4.662 1.00 0.00 H new ATOM 0 HG1 THR A 47 -9.855 5.191 -5.622 1.00 0.00 H new ATOM 0 HG21 THR A 47 -11.032 7.133 -6.948 1.00 0.00 H new ATOM 0 HG22 THR A 47 -9.750 8.366 -6.992 1.00 0.00 H new ATOM 0 HG23 THR A 47 -9.353 6.658 -7.298 1.00 0.00 H new ATOM 675 N LEU A 48 -7.346 5.985 -3.187 1.00 0.00 N ATOM 676 CA LEU A 48 -7.032 5.585 -1.793 1.00 0.00 C ATOM 677 C LEU A 48 -5.804 6.362 -1.315 1.00 0.00 C ATOM 678 O LEU A 48 -5.904 7.322 -0.579 1.00 0.00 O ATOM 679 CB LEU A 48 -6.759 4.074 -1.789 1.00 0.00 C ATOM 680 CG LEU A 48 -5.910 3.671 -0.580 1.00 0.00 C ATOM 681 CD1 LEU A 48 -6.514 4.249 0.697 1.00 0.00 C ATOM 682 CD2 LEU A 48 -5.878 2.146 -0.478 1.00 0.00 C ATOM 0 H LEU A 48 -7.022 5.334 -3.902 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.860 5.808 -1.120 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.704 3.531 -1.771 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.246 3.791 -2.708 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.899 4.058 -0.704 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.904 3.958 1.552 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.543 5.336 0.626 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.526 3.866 0.826 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -5.275 1.851 0.381 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -6.893 1.768 -0.356 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -5.443 1.730 -1.387 1.00 0.00 H new ATOM 694 N THR A 49 -4.653 5.942 -1.732 1.00 0.00 N ATOM 695 CA THR A 49 -3.400 6.622 -1.326 1.00 0.00 C ATOM 696 C THR A 49 -3.219 6.421 0.165 1.00 0.00 C ATOM 697 O THR A 49 -4.070 5.868 0.813 1.00 0.00 O ATOM 698 CB THR A 49 -3.486 8.109 -1.664 1.00 0.00 C ATOM 699 OG1 THR A 49 -4.051 8.815 -0.569 1.00 0.00 O ATOM 700 CG2 THR A 49 -4.358 8.307 -2.905 1.00 0.00 C ATOM 0 H THR A 49 -4.523 5.141 -2.349 1.00 0.00 H new ATOM 0 HA THR A 49 -2.546 6.205 -1.860 1.00 0.00 H new ATOM 0 HB THR A 49 -2.484 8.490 -1.863 1.00 0.00 H new ATOM 0 HG1 THR A 49 -5.029 8.770 -0.620 1.00 0.00 H new ATOM 0 HG21 THR A 49 -4.417 9.369 -3.143 1.00 0.00 H new ATOM 0 HG22 THR A 49 -3.920 7.770 -3.747 1.00 0.00 H new ATOM 0 HG23 THR A 49 -5.359 7.923 -2.711 1.00 0.00 H new ATOM 708 N LEU A 50 -2.113 6.819 0.718 1.00 0.00 N ATOM 709 CA LEU A 50 -1.907 6.599 2.159 1.00 0.00 C ATOM 710 C LEU A 50 -1.735 7.941 2.865 1.00 0.00 C ATOM 711 O LEU A 50 -1.543 8.967 2.244 1.00 0.00 O ATOM 712 CB LEU A 50 -0.695 5.663 2.290 1.00 0.00 C ATOM 713 CG LEU A 50 0.401 6.197 3.200 1.00 0.00 C ATOM 714 CD1 LEU A 50 0.780 5.068 4.134 1.00 0.00 C ATOM 715 CD2 LEU A 50 1.616 6.594 2.355 1.00 0.00 C ATOM 0 H LEU A 50 -1.348 7.286 0.231 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.762 6.127 2.643 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.032 4.699 2.671 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.277 5.486 1.299 1.00 0.00 H new ATOM 0 HG LEU A 50 0.064 7.072 3.756 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.567 5.403 4.810 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.093 4.767 4.714 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.139 4.219 3.552 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.402 6.977 3.006 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.984 5.722 1.815 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.327 7.366 1.642 1.00 0.00 H new ATOM 727 N SER A 51 -1.815 7.934 4.165 1.00 0.00 N ATOM 728 CA SER A 51 -1.670 9.187 4.926 1.00 0.00 C ATOM 729 C SER A 51 -0.398 9.085 5.767 1.00 0.00 C ATOM 730 O SER A 51 0.286 10.058 6.010 1.00 0.00 O ATOM 731 CB SER A 51 -2.877 9.379 5.854 1.00 0.00 C ATOM 732 OG SER A 51 -3.664 10.468 5.393 1.00 0.00 O ATOM 0 H SER A 51 -1.976 7.101 4.731 1.00 0.00 H new ATOM 0 HA SER A 51 -1.614 10.035 4.243 1.00 0.00 H new ATOM 0 HB2 SER A 51 -3.477 8.469 5.880 1.00 0.00 H new ATOM 0 HB3 SER A 51 -2.539 9.567 6.873 1.00 0.00 H new ATOM 0 HG SER A 51 -4.435 10.588 5.986 1.00 0.00 H new ATOM 738 N HIS A 52 -0.085 7.897 6.208 1.00 0.00 N ATOM 739 CA HIS A 52 1.134 7.691 7.032 1.00 0.00 C ATOM 740 C HIS A 52 1.492 6.201 7.024 1.00 0.00 C ATOM 741 O HIS A 52 0.633 5.345 7.149 1.00 0.00 O ATOM 742 CB HIS A 52 0.850 8.135 8.467 1.00 0.00 C ATOM 743 CG HIS A 52 -0.163 7.208 9.078 1.00 0.00 C ATOM 744 ND1 HIS A 52 0.054 6.575 10.291 1.00 0.00 N ATOM 745 CD2 HIS A 52 -1.398 6.780 8.647 1.00 0.00 C ATOM 746 CE1 HIS A 52 -1.021 5.807 10.546 1.00 0.00 C ATOM 747 NE2 HIS A 52 -1.935 5.897 9.579 1.00 0.00 N ATOM 0 H HIS A 52 -0.629 7.053 6.029 1.00 0.00 H new ATOM 0 HA HIS A 52 1.962 8.273 6.626 1.00 0.00 H new ATOM 0 HB2 HIS A 52 1.769 8.125 9.052 1.00 0.00 H new ATOM 0 HB3 HIS A 52 0.477 9.159 8.477 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -1.877 7.083 7.727 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -1.130 5.192 11.427 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -2.836 5.420 9.532 1.00 0.00 H new ATOM 755 N PHE A 53 2.748 5.876 6.878 1.00 0.00 N ATOM 756 CA PHE A 53 3.138 4.440 6.866 1.00 0.00 C ATOM 757 C PHE A 53 2.959 3.862 8.269 1.00 0.00 C ATOM 758 O PHE A 53 3.626 4.251 9.207 1.00 0.00 O ATOM 759 CB PHE A 53 4.596 4.300 6.436 1.00 0.00 C ATOM 760 CG PHE A 53 4.700 4.502 4.943 1.00 0.00 C ATOM 761 CD1 PHE A 53 4.441 5.760 4.387 1.00 0.00 C ATOM 762 CD2 PHE A 53 5.053 3.429 4.115 1.00 0.00 C ATOM 763 CE1 PHE A 53 4.536 5.947 3.003 1.00 0.00 C ATOM 764 CE2 PHE A 53 5.148 3.616 2.730 1.00 0.00 C ATOM 765 CZ PHE A 53 4.889 4.875 2.174 1.00 0.00 C ATOM 0 H PHE A 53 3.515 6.539 6.767 1.00 0.00 H new ATOM 0 HA PHE A 53 2.508 3.898 6.161 1.00 0.00 H new ATOM 0 HB2 PHE A 53 5.212 5.033 6.957 1.00 0.00 H new ATOM 0 HB3 PHE A 53 4.974 3.314 6.708 1.00 0.00 H new ATOM 0 HD1 PHE A 53 4.168 6.587 5.026 1.00 0.00 H new ATOM 0 HD2 PHE A 53 5.252 2.458 4.544 1.00 0.00 H new ATOM 0 HE1 PHE A 53 4.337 6.918 2.574 1.00 0.00 H new ATOM 0 HE2 PHE A 53 5.421 2.789 2.091 1.00 0.00 H new ATOM 0 HZ PHE A 53 4.961 5.019 1.106 1.00 0.00 H new ATOM 775 N GLY A 54 2.047 2.946 8.418 1.00 0.00 N ATOM 776 CA GLY A 54 1.792 2.344 9.744 1.00 0.00 C ATOM 777 C GLY A 54 0.346 1.858 9.778 1.00 0.00 C ATOM 778 O GLY A 54 -0.370 1.930 8.799 1.00 0.00 O ATOM 0 H GLY A 54 1.461 2.587 7.664 1.00 0.00 H new ATOM 0 HA2 GLY A 54 2.476 1.514 9.922 1.00 0.00 H new ATOM 0 HA3 GLY A 54 1.966 3.076 10.533 1.00 0.00 H new ATOM 782 N LYS A 55 -0.092 1.389 10.899 1.00 0.00 N ATOM 783 CA LYS A 55 -1.502 0.922 11.008 1.00 0.00 C ATOM 784 C LYS A 55 -2.380 2.113 11.395 1.00 0.00 C ATOM 785 O LYS A 55 -2.465 2.485 12.549 1.00 0.00 O ATOM 786 CB LYS A 55 -1.663 -0.186 12.065 1.00 0.00 C ATOM 787 CG LYS A 55 -0.504 -0.201 13.074 1.00 0.00 C ATOM 788 CD LYS A 55 0.794 -0.644 12.391 1.00 0.00 C ATOM 789 CE LYS A 55 1.266 -1.963 13.003 1.00 0.00 C ATOM 790 NZ LYS A 55 2.716 -1.865 13.332 1.00 0.00 N ATOM 0 H LYS A 55 0.461 1.305 11.752 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.800 0.508 10.045 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -2.604 -0.044 12.597 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.722 -1.154 11.568 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.375 0.792 13.504 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -0.738 -0.877 13.897 1.00 0.00 H new ATOM 0 HD2 LYS A 55 0.631 -0.765 11.320 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.561 0.121 12.512 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.692 -2.185 13.903 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.095 -2.782 12.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 3.039 -2.762 13.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 3.256 -1.672 12.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 2.866 -1.093 14.013 1.00 0.00 H new ATOM 804 N CYS A 56 -3.028 2.718 10.437 1.00 0.00 N ATOM 805 CA CYS A 56 -3.895 3.892 10.743 1.00 0.00 C ATOM 806 C CYS A 56 -4.701 3.620 12.016 1.00 0.00 C ATOM 807 O CYS A 56 -4.252 4.023 13.077 1.00 0.00 O ATOM 808 CB CYS A 56 -4.854 4.136 9.578 1.00 0.00 C ATOM 809 SG CYS A 56 -4.716 5.857 9.035 1.00 0.00 S ATOM 810 OXT CYS A 56 -5.755 3.015 11.908 1.00 0.00 O ATOM 0 H CYS A 56 -2.994 2.449 9.454 1.00 0.00 H new ATOM 0 HA CYS A 56 -3.269 4.772 10.892 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -4.620 3.463 8.753 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -5.878 3.921 9.884 1.00 0.00 H new TER 815 CYS A 56