USER MOD reduce.3.24.130724 H: found=0, std=0, add=397, rem=0, adj=15 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 51 SER OG : rot 87:sc= -4.38! USER MOD Set 1.2: A 52 HIS :FLIP no HE2:sc= -14.4! C(o=-26!,f=-19!) USER MOD Set 2.1: A 33 ASN : amide:sc= -0.249 K(o=-0.45,f=-6.4!) USER MOD Set 2.2: A 36 ASN : amide:sc= -0.203 X(o=-0.45,f=-0.62) USER MOD Set 3.1: A 11 TYR OH : rot 84:sc= -1.75! USER MOD Set 3.2: A 34 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.016) USER MOD Single : A 1 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot -95:sc= 0.457 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot -176:sc= 0.978 USER MOD Single : A 20 TYR OH : rot 180:sc= -0.0861 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN :FLIP amide:sc= -1.06! C(o=-2!,f=-1.1!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 6:sc= 1.29 USER MOD Single : A 31 TYR OH : rot 122:sc= -8.64! USER MOD Single : A 39 ASN : amide:sc= -0.978 K(o=-0.98,f=-4.1!) USER MOD Single : A 44 SER OG : rot 60:sc= 0.47! USER MOD Single : A 45 ASN : amide:sc= -8.45! C(o=-8.4!,f=-14!) USER MOD Single : A 47 THR OG1 : rot -32:sc= 0.296 USER MOD Single : A 49 THR OG1 : rot -87:sc= 0.644 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 15.262 13.643 -4.524 1.00 0.00 N ATOM 2 CA LEU A 1 13.842 13.190 -4.487 1.00 0.00 C ATOM 3 C LEU A 1 13.669 12.142 -3.383 1.00 0.00 C ATOM 4 O LEU A 1 14.260 11.081 -3.423 1.00 0.00 O ATOM 5 CB LEU A 1 13.467 12.575 -5.837 1.00 0.00 C ATOM 6 CG LEU A 1 11.952 12.663 -6.033 1.00 0.00 C ATOM 7 CD1 LEU A 1 11.647 13.133 -7.457 1.00 0.00 C ATOM 8 CD2 LEU A 1 11.328 11.284 -5.808 1.00 0.00 C ATOM 0 H1 LEU A 1 15.380 14.354 -5.273 1.00 0.00 H new ATOM 0 H2 LEU A 1 15.517 14.061 -3.606 1.00 0.00 H new ATOM 0 H3 LEU A 1 15.881 12.830 -4.718 1.00 0.00 H new ATOM 0 HA LEU A 1 13.194 14.043 -4.284 1.00 0.00 H new ATOM 0 HB2 LEU A 1 13.980 13.100 -6.643 1.00 0.00 H new ATOM 0 HB3 LEU A 1 13.790 11.535 -5.877 1.00 0.00 H new ATOM 0 HG LEU A 1 11.535 13.373 -5.319 1.00 0.00 H new ATOM 0 HD11 LEU A 1 10.568 13.196 -7.596 1.00 0.00 H new ATOM 0 HD12 LEU A 1 12.091 14.115 -7.619 1.00 0.00 H new ATOM 0 HD13 LEU A 1 12.064 12.424 -8.172 1.00 0.00 H new ATOM 0 HD21 LEU A 1 10.249 11.346 -5.947 1.00 0.00 H new ATOM 0 HD22 LEU A 1 11.746 10.575 -6.522 1.00 0.00 H new ATOM 0 HD23 LEU A 1 11.544 10.948 -4.794 1.00 0.00 H new ATOM 22 N ALA A 2 12.863 12.431 -2.398 1.00 0.00 N ATOM 23 CA ALA A 2 12.654 11.452 -1.295 1.00 0.00 C ATOM 24 C ALA A 2 11.436 11.871 -0.466 1.00 0.00 C ATOM 25 O ALA A 2 11.545 12.181 0.703 1.00 0.00 O ATOM 26 CB ALA A 2 13.895 11.419 -0.399 1.00 0.00 C ATOM 0 H ALA A 2 12.341 13.303 -2.310 1.00 0.00 H new ATOM 0 HA ALA A 2 12.484 10.461 -1.716 1.00 0.00 H new ATOM 0 HB1 ALA A 2 13.742 10.703 0.408 1.00 0.00 H new ATOM 0 HB2 ALA A 2 14.762 11.121 -0.989 1.00 0.00 H new ATOM 0 HB3 ALA A 2 14.066 12.410 0.023 1.00 0.00 H new ATOM 32 N ALA A 3 10.275 11.880 -1.064 1.00 0.00 N ATOM 33 CA ALA A 3 9.053 12.279 -0.312 1.00 0.00 C ATOM 34 C ALA A 3 8.521 11.076 0.473 1.00 0.00 C ATOM 35 O ALA A 3 9.119 10.019 0.485 1.00 0.00 O ATOM 36 CB ALA A 3 7.985 12.759 -1.296 1.00 0.00 C ATOM 0 H ALA A 3 10.121 11.628 -2.040 1.00 0.00 H new ATOM 0 HA ALA A 3 9.298 13.084 0.380 1.00 0.00 H new ATOM 0 HB1 ALA A 3 7.090 13.051 -0.747 1.00 0.00 H new ATOM 0 HB2 ALA A 3 8.364 13.615 -1.855 1.00 0.00 H new ATOM 0 HB3 ALA A 3 7.739 11.953 -1.988 1.00 0.00 H new ATOM 42 N VAL A 4 7.405 11.229 1.132 1.00 0.00 N ATOM 43 CA VAL A 4 6.843 10.094 1.917 1.00 0.00 C ATOM 44 C VAL A 4 5.782 9.369 1.085 1.00 0.00 C ATOM 45 O VAL A 4 4.597 9.589 1.241 1.00 0.00 O ATOM 46 CB VAL A 4 6.208 10.625 3.203 1.00 0.00 C ATOM 47 CG1 VAL A 4 5.922 9.459 4.151 1.00 0.00 C ATOM 48 CG2 VAL A 4 7.171 11.605 3.878 1.00 0.00 C ATOM 0 H VAL A 4 6.859 12.090 1.161 1.00 0.00 H new ATOM 0 HA VAL A 4 7.644 9.398 2.168 1.00 0.00 H new ATOM 0 HB VAL A 4 5.275 11.136 2.964 1.00 0.00 H new ATOM 0 HG11 VAL A 4 5.469 9.838 5.067 1.00 0.00 H new ATOM 0 HG12 VAL A 4 5.238 8.759 3.671 1.00 0.00 H new ATOM 0 HG13 VAL A 4 6.854 8.948 4.391 1.00 0.00 H new ATOM 0 HG21 VAL A 4 6.720 11.985 4.795 1.00 0.00 H new ATOM 0 HG22 VAL A 4 8.103 11.093 4.117 1.00 0.00 H new ATOM 0 HG23 VAL A 4 7.376 12.436 3.203 1.00 0.00 H new ATOM 58 N SER A 5 6.201 8.502 0.203 1.00 0.00 N ATOM 59 CA SER A 5 5.224 7.756 -0.642 1.00 0.00 C ATOM 60 C SER A 5 5.941 6.603 -1.347 1.00 0.00 C ATOM 61 O SER A 5 7.117 6.680 -1.644 1.00 0.00 O ATOM 62 CB SER A 5 4.624 8.701 -1.683 1.00 0.00 C ATOM 63 OG SER A 5 3.504 8.075 -2.297 1.00 0.00 O ATOM 0 H SER A 5 7.181 8.277 0.031 1.00 0.00 H new ATOM 0 HA SER A 5 4.426 7.358 -0.014 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.319 9.635 -1.210 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.371 8.954 -2.435 1.00 0.00 H new ATOM 0 HG SER A 5 3.116 8.679 -2.964 1.00 0.00 H new ATOM 69 N VAL A 6 5.244 5.533 -1.617 1.00 0.00 N ATOM 70 CA VAL A 6 5.889 4.375 -2.300 1.00 0.00 C ATOM 71 C VAL A 6 5.567 4.424 -3.801 1.00 0.00 C ATOM 72 O VAL A 6 5.203 5.454 -4.332 1.00 0.00 O ATOM 73 CB VAL A 6 5.372 3.070 -1.671 1.00 0.00 C ATOM 74 CG1 VAL A 6 4.060 2.640 -2.337 1.00 0.00 C ATOM 75 CG2 VAL A 6 6.420 1.966 -1.847 1.00 0.00 C ATOM 0 H VAL A 6 4.256 5.410 -1.394 1.00 0.00 H new ATOM 0 HA VAL A 6 6.971 4.419 -2.178 1.00 0.00 H new ATOM 0 HB VAL A 6 5.190 3.239 -0.610 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.707 1.715 -1.881 1.00 0.00 H new ATOM 0 HG12 VAL A 6 3.311 3.420 -2.202 1.00 0.00 H new ATOM 0 HG13 VAL A 6 4.228 2.479 -3.402 1.00 0.00 H new ATOM 0 HG21 VAL A 6 6.053 1.042 -1.401 1.00 0.00 H new ATOM 0 HG22 VAL A 6 6.607 1.807 -2.909 1.00 0.00 H new ATOM 0 HG23 VAL A 6 7.347 2.263 -1.356 1.00 0.00 H new ATOM 85 N ASP A 7 5.703 3.322 -4.489 1.00 0.00 N ATOM 86 CA ASP A 7 5.411 3.310 -5.950 1.00 0.00 C ATOM 87 C ASP A 7 4.599 2.061 -6.297 1.00 0.00 C ATOM 88 O ASP A 7 4.732 1.029 -5.669 1.00 0.00 O ATOM 89 CB ASP A 7 6.728 3.291 -6.728 1.00 0.00 C ATOM 90 CG ASP A 7 6.445 3.458 -8.221 1.00 0.00 C ATOM 91 OD1 ASP A 7 6.246 4.586 -8.644 1.00 0.00 O ATOM 92 OD2 ASP A 7 6.430 2.456 -8.917 1.00 0.00 O ATOM 0 H ASP A 7 6.004 2.428 -4.101 1.00 0.00 H new ATOM 0 HA ASP A 7 4.841 4.200 -6.216 1.00 0.00 H new ATOM 0 HB2 ASP A 7 7.379 4.092 -6.379 1.00 0.00 H new ATOM 0 HB3 ASP A 7 7.254 2.353 -6.550 1.00 0.00 H new ATOM 97 N CYS A 8 3.763 2.141 -7.295 1.00 0.00 N ATOM 98 CA CYS A 8 2.950 0.953 -7.681 1.00 0.00 C ATOM 99 C CYS A 8 2.915 0.832 -9.207 1.00 0.00 C ATOM 100 O CYS A 8 1.868 0.670 -9.802 1.00 0.00 O ATOM 101 CB CYS A 8 1.522 1.110 -7.147 1.00 0.00 C ATOM 102 SG CYS A 8 1.578 1.679 -5.428 1.00 0.00 S ATOM 0 H CYS A 8 3.608 2.976 -7.859 1.00 0.00 H new ATOM 0 HA CYS A 8 3.398 0.055 -7.255 1.00 0.00 H new ATOM 0 HB2 CYS A 8 0.970 1.823 -7.759 1.00 0.00 H new ATOM 0 HB3 CYS A 8 0.993 0.159 -7.209 1.00 0.00 H new ATOM 107 N SER A 9 4.052 0.911 -9.848 1.00 0.00 N ATOM 108 CA SER A 9 4.077 0.802 -11.336 1.00 0.00 C ATOM 109 C SER A 9 4.161 -0.668 -11.749 1.00 0.00 C ATOM 110 O SER A 9 4.213 -0.996 -12.917 1.00 0.00 O ATOM 111 CB SER A 9 5.286 1.561 -11.883 1.00 0.00 C ATOM 112 OG SER A 9 6.335 0.642 -12.157 1.00 0.00 O ATOM 0 H SER A 9 4.962 1.046 -9.407 1.00 0.00 H new ATOM 0 HA SER A 9 3.163 1.234 -11.743 1.00 0.00 H new ATOM 0 HB2 SER A 9 5.012 2.098 -12.791 1.00 0.00 H new ATOM 0 HB3 SER A 9 5.619 2.306 -11.160 1.00 0.00 H new ATOM 0 HG SER A 9 6.947 0.607 -11.392 1.00 0.00 H new ATOM 118 N GLU A 10 4.161 -1.552 -10.797 1.00 0.00 N ATOM 119 CA GLU A 10 4.227 -3.005 -11.117 1.00 0.00 C ATOM 120 C GLU A 10 2.999 -3.705 -10.525 1.00 0.00 C ATOM 121 O GLU A 10 2.760 -4.873 -10.757 1.00 0.00 O ATOM 122 CB GLU A 10 5.499 -3.604 -10.513 1.00 0.00 C ATOM 123 CG GLU A 10 6.723 -2.981 -11.187 1.00 0.00 C ATOM 124 CD GLU A 10 7.108 -1.692 -10.458 1.00 0.00 C ATOM 125 OE1 GLU A 10 6.708 -1.540 -9.316 1.00 0.00 O ATOM 126 OE2 GLU A 10 7.795 -0.880 -11.054 1.00 0.00 O ATOM 0 H GLU A 10 4.118 -1.331 -9.802 1.00 0.00 H new ATOM 0 HA GLU A 10 4.243 -3.143 -12.198 1.00 0.00 H new ATOM 0 HB2 GLU A 10 5.527 -3.418 -9.439 1.00 0.00 H new ATOM 0 HB3 GLU A 10 5.506 -4.685 -10.650 1.00 0.00 H new ATOM 0 HG2 GLU A 10 7.557 -3.683 -11.171 1.00 0.00 H new ATOM 0 HG3 GLU A 10 6.506 -2.768 -12.234 1.00 0.00 H new ATOM 133 N TYR A 11 2.222 -2.989 -9.758 1.00 0.00 N ATOM 134 CA TYR A 11 1.013 -3.571 -9.136 1.00 0.00 C ATOM 135 C TYR A 11 -0.129 -3.564 -10.161 1.00 0.00 C ATOM 136 O TYR A 11 -0.026 -2.930 -11.192 1.00 0.00 O ATOM 137 CB TYR A 11 0.683 -2.713 -7.909 1.00 0.00 C ATOM 138 CG TYR A 11 1.615 -3.115 -6.788 1.00 0.00 C ATOM 139 CD1 TYR A 11 2.881 -2.524 -6.702 1.00 0.00 C ATOM 140 CD2 TYR A 11 1.227 -4.076 -5.845 1.00 0.00 C ATOM 141 CE1 TYR A 11 3.758 -2.888 -5.675 1.00 0.00 C ATOM 142 CE2 TYR A 11 2.109 -4.442 -4.814 1.00 0.00 C ATOM 143 CZ TYR A 11 3.372 -3.847 -4.731 1.00 0.00 C ATOM 144 OH TYR A 11 4.239 -4.206 -3.720 1.00 0.00 O ATOM 0 H TYR A 11 2.383 -2.007 -9.536 1.00 0.00 H new ATOM 0 HA TYR A 11 1.166 -4.604 -8.825 1.00 0.00 H new ATOM 0 HB2 TYR A 11 0.802 -1.655 -8.142 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -0.355 -2.859 -7.611 1.00 0.00 H new ATOM 0 HD1 TYR A 11 3.181 -1.785 -7.430 1.00 0.00 H new ATOM 0 HD2 TYR A 11 0.251 -4.535 -5.910 1.00 0.00 H new ATOM 0 HE1 TYR A 11 4.733 -2.429 -5.610 1.00 0.00 H new ATOM 0 HE2 TYR A 11 1.812 -5.182 -4.086 1.00 0.00 H new ATOM 0 HH TYR A 11 4.165 -3.565 -2.982 1.00 0.00 H new ATOM 154 N PRO A 12 -1.168 -4.300 -9.863 1.00 0.00 N ATOM 155 CA PRO A 12 -1.288 -5.064 -8.614 1.00 0.00 C ATOM 156 C PRO A 12 -0.589 -6.421 -8.728 1.00 0.00 C ATOM 157 O PRO A 12 -0.596 -7.056 -9.763 1.00 0.00 O ATOM 158 CB PRO A 12 -2.804 -5.230 -8.450 1.00 0.00 C ATOM 159 CG PRO A 12 -3.425 -5.052 -9.861 1.00 0.00 C ATOM 160 CD PRO A 12 -2.322 -4.460 -10.762 1.00 0.00 C ATOM 0 HA PRO A 12 -0.820 -4.570 -7.763 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -3.044 -6.212 -8.042 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -3.202 -4.490 -7.755 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -3.773 -6.007 -10.253 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -4.289 -4.389 -9.822 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -2.089 -5.124 -11.595 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -2.628 -3.506 -11.191 1.00 0.00 H new ATOM 168 N LYS A 13 0.020 -6.860 -7.660 1.00 0.00 N ATOM 169 CA LYS A 13 0.734 -8.168 -7.678 1.00 0.00 C ATOM 170 C LYS A 13 -0.241 -9.293 -7.313 1.00 0.00 C ATOM 171 O LYS A 13 -1.098 -9.116 -6.471 1.00 0.00 O ATOM 172 CB LYS A 13 1.864 -8.129 -6.648 1.00 0.00 C ATOM 173 CG LYS A 13 3.212 -8.231 -7.358 1.00 0.00 C ATOM 174 CD LYS A 13 4.294 -8.616 -6.348 1.00 0.00 C ATOM 175 CE LYS A 13 5.674 -8.394 -6.968 1.00 0.00 C ATOM 176 NZ LYS A 13 6.626 -9.411 -6.441 1.00 0.00 N ATOM 0 H LYS A 13 0.053 -6.364 -6.769 1.00 0.00 H new ATOM 0 HA LYS A 13 1.140 -8.350 -8.673 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.814 -7.204 -6.074 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.752 -8.950 -5.940 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.161 -8.975 -8.153 1.00 0.00 H new ATOM 0 HG3 LYS A 13 3.460 -7.279 -7.828 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.190 -8.018 -5.442 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.179 -9.660 -6.056 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.612 -8.467 -8.054 1.00 0.00 H new ATOM 0 HE3 LYS A 13 6.032 -7.391 -6.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 7.564 -9.260 -6.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.693 -9.321 -5.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.287 -10.363 -6.685 1.00 0.00 H new ATOM 190 N PRO A 14 -0.079 -10.424 -7.957 1.00 0.00 N ATOM 191 CA PRO A 14 -0.932 -11.604 -7.718 1.00 0.00 C ATOM 192 C PRO A 14 -0.486 -12.347 -6.457 1.00 0.00 C ATOM 193 O PRO A 14 -0.874 -13.472 -6.214 1.00 0.00 O ATOM 194 CB PRO A 14 -0.706 -12.465 -8.961 1.00 0.00 C ATOM 195 CG PRO A 14 0.658 -12.030 -9.549 1.00 0.00 C ATOM 196 CD PRO A 14 0.953 -10.626 -8.999 1.00 0.00 C ATOM 0 HA PRO A 14 -1.980 -11.347 -7.563 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -0.699 -13.524 -8.704 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -1.506 -12.319 -9.686 1.00 0.00 H new ATOM 0 HG2 PRO A 14 1.443 -12.730 -9.263 1.00 0.00 H new ATOM 0 HG3 PRO A 14 0.623 -12.019 -10.638 1.00 0.00 H new ATOM 0 HD2 PRO A 14 1.958 -10.564 -8.582 1.00 0.00 H new ATOM 0 HD3 PRO A 14 0.885 -9.869 -9.780 1.00 0.00 H new ATOM 204 N ALA A 15 0.326 -11.723 -5.656 1.00 0.00 N ATOM 205 CA ALA A 15 0.806 -12.380 -4.408 1.00 0.00 C ATOM 206 C ALA A 15 1.568 -11.360 -3.560 1.00 0.00 C ATOM 207 O ALA A 15 2.340 -10.570 -4.067 1.00 0.00 O ATOM 208 CB ALA A 15 1.732 -13.543 -4.771 1.00 0.00 C ATOM 0 H ALA A 15 0.682 -10.780 -5.811 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.045 -12.759 -3.841 1.00 0.00 H new ATOM 0 HB1 ALA A 15 2.085 -14.025 -3.859 1.00 0.00 H new ATOM 0 HB2 ALA A 15 1.187 -14.267 -5.377 1.00 0.00 H new ATOM 0 HB3 ALA A 15 2.585 -13.166 -5.335 1.00 0.00 H new ATOM 214 N CYS A 16 1.356 -11.364 -2.272 1.00 0.00 N ATOM 215 CA CYS A 16 2.065 -10.389 -1.397 1.00 0.00 C ATOM 216 C CYS A 16 3.101 -11.119 -0.540 1.00 0.00 C ATOM 217 O CYS A 16 2.961 -12.288 -0.239 1.00 0.00 O ATOM 218 CB CYS A 16 1.053 -9.693 -0.482 1.00 0.00 C ATOM 219 SG CYS A 16 -0.258 -8.955 -1.488 1.00 0.00 S ATOM 0 H CYS A 16 0.722 -12.000 -1.788 1.00 0.00 H new ATOM 0 HA CYS A 16 2.567 -9.649 -2.020 1.00 0.00 H new ATOM 0 HB2 CYS A 16 0.628 -10.410 0.220 1.00 0.00 H new ATOM 0 HB3 CYS A 16 1.550 -8.924 0.109 1.00 0.00 H new ATOM 224 N THR A 17 4.138 -10.435 -0.139 1.00 0.00 N ATOM 225 CA THR A 17 5.180 -11.085 0.705 1.00 0.00 C ATOM 226 C THR A 17 4.556 -11.493 2.041 1.00 0.00 C ATOM 227 O THR A 17 3.354 -11.641 2.151 1.00 0.00 O ATOM 228 CB THR A 17 6.324 -10.096 0.948 1.00 0.00 C ATOM 229 OG1 THR A 17 5.814 -8.934 1.589 1.00 0.00 O ATOM 230 CG2 THR A 17 6.957 -9.709 -0.388 1.00 0.00 C ATOM 0 H THR A 17 4.308 -9.454 -0.360 1.00 0.00 H new ATOM 0 HA THR A 17 5.570 -11.969 0.200 1.00 0.00 H new ATOM 0 HB THR A 17 7.079 -10.560 1.583 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.532 -8.275 1.692 1.00 0.00 H new ATOM 0 HG21 THR A 17 7.771 -9.005 -0.215 1.00 0.00 H new ATOM 0 HG22 THR A 17 7.347 -10.601 -0.878 1.00 0.00 H new ATOM 0 HG23 THR A 17 6.205 -9.244 -1.026 1.00 0.00 H new ATOM 238 N LEU A 18 5.350 -11.680 3.060 1.00 0.00 N ATOM 239 CA LEU A 18 4.773 -12.081 4.372 1.00 0.00 C ATOM 240 C LEU A 18 5.185 -11.084 5.456 1.00 0.00 C ATOM 241 O LEU A 18 4.455 -10.858 6.401 1.00 0.00 O ATOM 242 CB LEU A 18 5.265 -13.481 4.746 1.00 0.00 C ATOM 243 CG LEU A 18 6.783 -13.462 4.937 1.00 0.00 C ATOM 244 CD1 LEU A 18 7.117 -13.746 6.403 1.00 0.00 C ATOM 245 CD2 LEU A 18 7.419 -14.537 4.054 1.00 0.00 C ATOM 0 H LEU A 18 6.364 -11.573 3.041 1.00 0.00 H new ATOM 0 HA LEU A 18 3.686 -12.088 4.292 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.778 -13.815 5.662 1.00 0.00 H new ATOM 0 HB3 LEU A 18 4.996 -14.192 3.965 1.00 0.00 H new ATOM 0 HG LEU A 18 7.172 -12.483 4.659 1.00 0.00 H new ATOM 0 HD11 LEU A 18 8.198 -13.732 6.539 1.00 0.00 H new ATOM 0 HD12 LEU A 18 6.662 -12.983 7.034 1.00 0.00 H new ATOM 0 HD13 LEU A 18 6.729 -14.726 6.681 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.501 -14.525 4.188 1.00 0.00 H new ATOM 0 HD22 LEU A 18 7.029 -15.516 4.334 1.00 0.00 H new ATOM 0 HD23 LEU A 18 7.181 -14.337 3.009 1.00 0.00 H new ATOM 257 N GLU A 19 6.336 -10.475 5.334 1.00 0.00 N ATOM 258 CA GLU A 19 6.751 -9.490 6.372 1.00 0.00 C ATOM 259 C GLU A 19 5.567 -8.565 6.641 1.00 0.00 C ATOM 260 O GLU A 19 4.668 -8.461 5.832 1.00 0.00 O ATOM 261 CB GLU A 19 7.948 -8.677 5.872 1.00 0.00 C ATOM 262 CG GLU A 19 7.616 -8.032 4.525 1.00 0.00 C ATOM 263 CD GLU A 19 8.172 -8.897 3.392 1.00 0.00 C ATOM 264 OE1 GLU A 19 8.688 -9.962 3.685 1.00 0.00 O ATOM 265 OE2 GLU A 19 8.074 -8.477 2.251 1.00 0.00 O ATOM 0 H GLU A 19 6.998 -10.615 4.571 1.00 0.00 H new ATOM 0 HA GLU A 19 7.045 -10.004 7.287 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.205 -7.907 6.600 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.820 -9.323 5.770 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.537 -7.924 4.418 1.00 0.00 H new ATOM 0 HG3 GLU A 19 8.043 -7.030 4.475 1.00 0.00 H new ATOM 272 N TYR A 20 5.529 -7.906 7.763 1.00 0.00 N ATOM 273 CA TYR A 20 4.358 -7.026 8.029 1.00 0.00 C ATOM 274 C TYR A 20 4.761 -5.552 8.009 1.00 0.00 C ATOM 275 O TYR A 20 5.097 -4.970 9.021 1.00 0.00 O ATOM 276 CB TYR A 20 3.736 -7.363 9.383 1.00 0.00 C ATOM 277 CG TYR A 20 2.409 -6.643 9.516 1.00 0.00 C ATOM 278 CD1 TYR A 20 1.485 -6.654 8.456 1.00 0.00 C ATOM 279 CD2 TYR A 20 2.102 -5.963 10.701 1.00 0.00 C ATOM 280 CE1 TYR A 20 0.262 -5.985 8.588 1.00 0.00 C ATOM 281 CE2 TYR A 20 0.878 -5.295 10.829 1.00 0.00 C ATOM 282 CZ TYR A 20 -0.041 -5.306 9.773 1.00 0.00 C ATOM 283 OH TYR A 20 -1.247 -4.646 9.901 1.00 0.00 O ATOM 0 H TYR A 20 6.240 -7.935 8.493 1.00 0.00 H new ATOM 0 HA TYR A 20 3.627 -7.200 7.239 1.00 0.00 H new ATOM 0 HB2 TYR A 20 3.589 -8.439 9.471 1.00 0.00 H new ATOM 0 HB3 TYR A 20 4.407 -7.065 10.189 1.00 0.00 H new ATOM 0 HD1 TYR A 20 1.718 -7.178 7.541 1.00 0.00 H new ATOM 0 HD2 TYR A 20 2.810 -5.954 11.517 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -0.448 -5.993 7.774 1.00 0.00 H new ATOM 0 HE2 TYR A 20 0.643 -4.771 11.743 1.00 0.00 H new ATOM 0 HH TYR A 20 -1.299 -4.228 10.786 1.00 0.00 H new ATOM 293 N ARG A 21 4.670 -4.939 6.864 1.00 0.00 N ATOM 294 CA ARG A 21 4.975 -3.489 6.750 1.00 0.00 C ATOM 295 C ARG A 21 3.654 -2.811 6.400 1.00 0.00 C ATOM 296 O ARG A 21 3.416 -2.486 5.258 1.00 0.00 O ATOM 297 CB ARG A 21 5.997 -3.256 5.636 1.00 0.00 C ATOM 298 CG ARG A 21 7.214 -4.148 5.874 1.00 0.00 C ATOM 299 CD ARG A 21 8.107 -3.516 6.942 1.00 0.00 C ATOM 300 NE ARG A 21 9.533 -3.826 6.645 1.00 0.00 N ATOM 301 CZ ARG A 21 10.354 -4.108 7.619 1.00 0.00 C ATOM 302 NH1 ARG A 21 10.083 -3.718 8.835 1.00 0.00 N ATOM 303 NH2 ARG A 21 11.447 -4.777 7.378 1.00 0.00 N ATOM 0 H ARG A 21 4.393 -5.388 5.991 1.00 0.00 H new ATOM 0 HA ARG A 21 5.397 -3.092 7.673 1.00 0.00 H new ATOM 0 HB2 ARG A 21 5.552 -3.479 4.666 1.00 0.00 H new ATOM 0 HB3 ARG A 21 6.298 -2.208 5.616 1.00 0.00 H new ATOM 0 HG2 ARG A 21 6.894 -5.140 6.192 1.00 0.00 H new ATOM 0 HG3 ARG A 21 7.772 -4.275 4.946 1.00 0.00 H new ATOM 0 HD2 ARG A 21 7.956 -2.437 6.965 1.00 0.00 H new ATOM 0 HD3 ARG A 21 7.839 -3.897 7.927 1.00 0.00 H new ATOM 0 HE ARG A 21 9.867 -3.818 5.681 1.00 0.00 H new ATOM 0 HH11 ARG A 21 9.229 -3.193 9.024 1.00 0.00 H new ATOM 0 HH12 ARG A 21 10.725 -3.939 9.596 1.00 0.00 H new ATOM 0 HH21 ARG A 21 11.660 -5.080 6.428 1.00 0.00 H new ATOM 0 HH22 ARG A 21 12.089 -4.997 8.140 1.00 0.00 H new ATOM 317 N PRO A 22 2.814 -2.681 7.400 1.00 0.00 N ATOM 318 CA PRO A 22 1.450 -2.131 7.253 1.00 0.00 C ATOM 319 C PRO A 22 1.404 -0.687 6.816 1.00 0.00 C ATOM 320 O PRO A 22 1.820 0.194 7.524 1.00 0.00 O ATOM 321 CB PRO A 22 0.839 -2.280 8.654 1.00 0.00 C ATOM 322 CG PRO A 22 2.023 -2.431 9.626 1.00 0.00 C ATOM 323 CD PRO A 22 3.171 -3.024 8.795 1.00 0.00 C ATOM 0 HA PRO A 22 0.912 -2.661 6.467 1.00 0.00 H new ATOM 0 HB2 PRO A 22 0.234 -1.410 8.909 1.00 0.00 H new ATOM 0 HB3 PRO A 22 0.183 -3.149 8.702 1.00 0.00 H new ATOM 0 HG2 PRO A 22 2.305 -1.468 10.052 1.00 0.00 H new ATOM 0 HG3 PRO A 22 1.765 -3.085 10.459 1.00 0.00 H new ATOM 0 HD2 PRO A 22 4.132 -2.595 9.078 1.00 0.00 H new ATOM 0 HD3 PRO A 22 3.249 -4.102 8.934 1.00 0.00 H new ATOM 331 N LEU A 23 0.847 -0.432 5.667 1.00 0.00 N ATOM 332 CA LEU A 23 0.712 0.962 5.225 1.00 0.00 C ATOM 333 C LEU A 23 -0.767 1.334 5.421 1.00 0.00 C ATOM 334 O LEU A 23 -1.611 0.465 5.458 1.00 0.00 O ATOM 335 CB LEU A 23 1.123 1.026 3.758 1.00 0.00 C ATOM 336 CG LEU A 23 2.541 0.490 3.627 1.00 0.00 C ATOM 337 CD1 LEU A 23 2.480 -0.992 3.278 1.00 0.00 C ATOM 338 CD2 LEU A 23 3.264 1.238 2.519 1.00 0.00 C ATOM 0 H LEU A 23 0.483 -1.134 5.023 1.00 0.00 H new ATOM 0 HA LEU A 23 1.339 1.657 5.783 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.438 0.437 3.147 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.072 2.053 3.395 1.00 0.00 H new ATOM 0 HG LEU A 23 3.076 0.628 4.567 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.492 -1.385 3.182 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.955 -1.530 4.067 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.949 -1.122 2.335 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.280 0.855 2.424 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.733 1.096 1.578 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.298 2.301 2.759 1.00 0.00 H new ATOM 350 N CYS A 24 -1.109 2.588 5.541 1.00 0.00 N ATOM 351 CA CYS A 24 -2.565 2.931 5.718 1.00 0.00 C ATOM 352 C CYS A 24 -2.988 3.900 4.617 1.00 0.00 C ATOM 353 O CYS A 24 -2.232 4.754 4.221 1.00 0.00 O ATOM 354 CB CYS A 24 -2.815 3.542 7.101 1.00 0.00 C ATOM 355 SG CYS A 24 -4.526 3.214 7.593 1.00 0.00 S ATOM 0 H CYS A 24 -0.466 3.380 5.526 1.00 0.00 H new ATOM 0 HA CYS A 24 -3.160 2.020 5.646 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -2.126 3.116 7.830 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -2.630 4.616 7.077 1.00 0.00 H new ATOM 360 N GLY A 25 -4.170 3.745 4.076 1.00 0.00 N ATOM 361 CA GLY A 25 -4.596 4.632 2.950 1.00 0.00 C ATOM 362 C GLY A 25 -5.508 5.763 3.380 1.00 0.00 C ATOM 363 O GLY A 25 -6.044 5.776 4.467 1.00 0.00 O ATOM 0 H GLY A 25 -4.856 3.047 4.363 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -3.710 5.052 2.474 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.107 4.031 2.198 1.00 0.00 H new ATOM 367 N SER A 26 -5.643 6.750 2.521 1.00 0.00 N ATOM 368 CA SER A 26 -6.482 7.931 2.867 1.00 0.00 C ATOM 369 C SER A 26 -7.942 7.510 3.052 1.00 0.00 C ATOM 370 O SER A 26 -8.724 8.214 3.660 1.00 0.00 O ATOM 371 CB SER A 26 -6.389 8.967 1.748 1.00 0.00 C ATOM 372 OG SER A 26 -7.004 10.175 2.175 1.00 0.00 O ATOM 0 H SER A 26 -5.207 6.783 1.599 1.00 0.00 H new ATOM 0 HA SER A 26 -6.118 8.362 3.800 1.00 0.00 H new ATOM 0 HB2 SER A 26 -5.346 9.148 1.490 1.00 0.00 H new ATOM 0 HB3 SER A 26 -6.880 8.594 0.849 1.00 0.00 H new ATOM 0 HG SER A 26 -6.945 10.843 1.460 1.00 0.00 H new ATOM 378 N ASP A 27 -8.321 6.368 2.540 1.00 0.00 N ATOM 379 CA ASP A 27 -9.734 5.918 2.705 1.00 0.00 C ATOM 380 C ASP A 27 -9.916 5.330 4.107 1.00 0.00 C ATOM 381 O ASP A 27 -10.958 4.803 4.441 1.00 0.00 O ATOM 382 CB ASP A 27 -10.068 4.855 1.655 1.00 0.00 C ATOM 383 CG ASP A 27 -8.887 3.896 1.495 1.00 0.00 C ATOM 384 OD1 ASP A 27 -8.185 3.684 2.469 1.00 0.00 O ATOM 385 OD2 ASP A 27 -8.706 3.389 0.401 1.00 0.00 O ATOM 0 H ASP A 27 -7.718 5.732 2.018 1.00 0.00 H new ATOM 0 HA ASP A 27 -10.402 6.769 2.574 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -10.959 4.303 1.954 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -10.293 5.331 0.701 1.00 0.00 H new ATOM 390 N ASN A 28 -8.905 5.423 4.927 1.00 0.00 N ATOM 391 CA ASN A 28 -8.994 4.880 6.308 1.00 0.00 C ATOM 392 C ASN A 28 -8.992 3.355 6.256 1.00 0.00 C ATOM 393 O ASN A 28 -9.479 2.690 7.149 1.00 0.00 O ATOM 394 CB ASN A 28 -10.278 5.384 6.978 1.00 0.00 C ATOM 395 CG ASN A 28 -10.250 5.049 8.472 1.00 0.00 C ATOM 396 OD1 ASN A 28 -10.000 5.997 9.334 1.00 0.00 O flip ATOM 397 ND2 ASN A 28 -10.461 3.918 8.859 1.00 0.00 N flip ATOM 0 H ASN A 28 -8.012 5.857 4.694 1.00 0.00 H new ATOM 0 HA ASN A 28 -8.136 5.218 6.890 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -10.373 6.461 6.839 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -11.148 4.924 6.509 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -10.656 3.177 8.186 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -10.443 3.709 9.857 1.00 0.00 H new ATOM 404 N LYS A 29 -8.424 2.795 5.227 1.00 0.00 N ATOM 405 CA LYS A 29 -8.362 1.314 5.131 1.00 0.00 C ATOM 406 C LYS A 29 -6.906 0.886 5.223 1.00 0.00 C ATOM 407 O LYS A 29 -6.106 1.165 4.351 1.00 0.00 O ATOM 408 CB LYS A 29 -8.954 0.843 3.807 1.00 0.00 C ATOM 409 CG LYS A 29 -8.649 -0.644 3.616 1.00 0.00 C ATOM 410 CD LYS A 29 -7.474 -0.807 2.649 1.00 0.00 C ATOM 411 CE LYS A 29 -7.763 -1.961 1.688 1.00 0.00 C ATOM 412 NZ LYS A 29 -8.384 -1.428 0.443 1.00 0.00 N ATOM 0 H LYS A 29 -8.000 3.300 4.449 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.938 0.870 5.943 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -10.031 1.009 3.798 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -8.536 1.420 2.983 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.410 -1.103 4.575 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.527 -1.159 3.227 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -7.318 0.116 2.090 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.556 -1.003 3.204 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -6.840 -2.489 1.449 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.430 -2.683 2.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.580 -2.213 -0.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -9.273 -0.943 0.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -7.732 -0.756 -0.010 1.00 0.00 H new ATOM 426 N THR A 30 -6.555 0.226 6.279 1.00 0.00 N ATOM 427 CA THR A 30 -5.143 -0.210 6.447 1.00 0.00 C ATOM 428 C THR A 30 -4.853 -1.403 5.539 1.00 0.00 C ATOM 429 O THR A 30 -5.542 -2.403 5.571 1.00 0.00 O ATOM 430 CB THR A 30 -4.903 -0.610 7.907 1.00 0.00 C ATOM 431 OG1 THR A 30 -4.886 0.556 8.719 1.00 0.00 O ATOM 432 CG2 THR A 30 -3.563 -1.339 8.028 1.00 0.00 C ATOM 0 H THR A 30 -7.184 -0.034 7.039 1.00 0.00 H new ATOM 0 HA THR A 30 -4.481 0.613 6.178 1.00 0.00 H new ATOM 0 HB THR A 30 -5.703 -1.272 8.238 1.00 0.00 H new ATOM 0 HG1 THR A 30 -5.121 1.337 8.175 1.00 0.00 H new ATOM 0 HG21 THR A 30 -3.395 -1.622 9.067 1.00 0.00 H new ATOM 0 HG22 THR A 30 -3.578 -2.234 7.406 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.760 -0.681 7.697 1.00 0.00 H new ATOM 440 N TYR A 31 -3.824 -1.312 4.742 1.00 0.00 N ATOM 441 CA TYR A 31 -3.478 -2.445 3.853 1.00 0.00 C ATOM 442 C TYR A 31 -2.365 -3.267 4.533 1.00 0.00 C ATOM 443 O TYR A 31 -1.317 -2.745 4.874 1.00 0.00 O ATOM 444 CB TYR A 31 -3.019 -1.932 2.476 1.00 0.00 C ATOM 445 CG TYR A 31 -2.925 -0.424 2.432 1.00 0.00 C ATOM 446 CD1 TYR A 31 -1.788 0.158 2.916 1.00 0.00 C ATOM 447 CD2 TYR A 31 -3.934 0.381 1.858 1.00 0.00 C ATOM 448 CE1 TYR A 31 -1.627 1.552 2.846 1.00 0.00 C ATOM 449 CE2 TYR A 31 -3.767 1.765 1.778 1.00 0.00 C ATOM 450 CZ TYR A 31 -2.608 2.346 2.278 1.00 0.00 C ATOM 451 OH TYR A 31 -2.400 3.699 2.171 1.00 0.00 O ATOM 0 H TYR A 31 -3.211 -0.500 4.671 1.00 0.00 H new ATOM 0 HA TYR A 31 -4.353 -3.074 3.690 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -2.047 -2.362 2.235 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -3.717 -2.274 1.712 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -1.012 -0.454 3.353 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -4.837 -0.075 1.480 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -0.730 2.008 3.239 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -4.534 2.380 1.330 1.00 0.00 H new ATOM 0 HH TYR A 31 -2.463 3.966 1.230 1.00 0.00 H new ATOM 461 N GLY A 32 -2.630 -4.544 4.760 1.00 0.00 N ATOM 462 CA GLY A 32 -1.663 -5.463 5.455 1.00 0.00 C ATOM 463 C GLY A 32 -0.240 -4.937 5.369 1.00 0.00 C ATOM 464 O GLY A 32 0.403 -4.696 6.368 1.00 0.00 O ATOM 0 H GLY A 32 -3.502 -4.995 4.483 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -1.950 -5.572 6.501 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.714 -6.455 5.006 1.00 0.00 H new ATOM 468 N ASN A 33 0.258 -4.759 4.187 1.00 0.00 N ATOM 469 CA ASN A 33 1.639 -4.239 4.051 1.00 0.00 C ATOM 470 C ASN A 33 1.834 -3.619 2.682 1.00 0.00 C ATOM 471 O ASN A 33 0.895 -3.297 1.988 1.00 0.00 O ATOM 472 CB ASN A 33 2.660 -5.362 4.260 1.00 0.00 C ATOM 473 CG ASN A 33 2.454 -6.466 3.221 1.00 0.00 C ATOM 474 OD1 ASN A 33 1.726 -6.290 2.263 1.00 0.00 O ATOM 475 ND2 ASN A 33 3.078 -7.604 3.371 1.00 0.00 N ATOM 0 H ASN A 33 -0.228 -4.950 3.311 1.00 0.00 H new ATOM 0 HA ASN A 33 1.794 -3.476 4.814 1.00 0.00 H new ATOM 0 HB2 ASN A 33 3.671 -4.963 4.181 1.00 0.00 H new ATOM 0 HB3 ASN A 33 2.557 -5.774 5.264 1.00 0.00 H new ATOM 0 HD21 ASN A 33 2.955 -8.347 2.684 1.00 0.00 H new ATOM 0 HD22 ASN A 33 3.688 -7.749 4.175 1.00 0.00 H new ATOM 482 N LYS A 34 3.060 -3.412 2.319 1.00 0.00 N ATOM 483 CA LYS A 34 3.367 -2.771 1.029 1.00 0.00 C ATOM 484 C LYS A 34 2.498 -3.353 -0.098 1.00 0.00 C ATOM 485 O LYS A 34 1.844 -2.625 -0.815 1.00 0.00 O ATOM 486 CB LYS A 34 4.862 -2.965 0.748 1.00 0.00 C ATOM 487 CG LYS A 34 5.113 -4.248 -0.052 1.00 0.00 C ATOM 488 CD LYS A 34 6.597 -4.335 -0.418 1.00 0.00 C ATOM 489 CE LYS A 34 6.772 -4.050 -1.911 1.00 0.00 C ATOM 490 NZ LYS A 34 6.889 -2.579 -2.126 1.00 0.00 N ATOM 0 H LYS A 34 3.876 -3.666 2.875 1.00 0.00 H new ATOM 0 HA LYS A 34 3.139 -1.706 1.075 1.00 0.00 H new ATOM 0 HB2 LYS A 34 5.245 -2.107 0.195 1.00 0.00 H new ATOM 0 HB3 LYS A 34 5.409 -3.007 1.690 1.00 0.00 H new ATOM 0 HG2 LYS A 34 4.820 -5.119 0.534 1.00 0.00 H new ATOM 0 HG3 LYS A 34 4.503 -4.252 -0.955 1.00 0.00 H new ATOM 0 HD2 LYS A 34 7.170 -3.618 0.170 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.984 -5.325 -0.178 1.00 0.00 H new ATOM 0 HE2 LYS A 34 7.662 -4.555 -2.287 1.00 0.00 H new ATOM 0 HE3 LYS A 34 5.923 -4.443 -2.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 7.059 -2.388 -3.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 6.008 -2.114 -1.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 7.682 -2.208 -1.565 1.00 0.00 H new ATOM 504 N CYS A 35 2.487 -4.646 -0.273 1.00 0.00 N ATOM 505 CA CYS A 35 1.668 -5.242 -1.358 1.00 0.00 C ATOM 506 C CYS A 35 0.198 -4.868 -1.169 1.00 0.00 C ATOM 507 O CYS A 35 -0.419 -4.290 -2.040 1.00 0.00 O ATOM 508 CB CYS A 35 1.813 -6.762 -1.327 1.00 0.00 C ATOM 509 SG CYS A 35 0.679 -7.501 -2.529 1.00 0.00 S ATOM 0 H CYS A 35 3.012 -5.314 0.291 1.00 0.00 H new ATOM 0 HA CYS A 35 2.014 -4.859 -2.318 1.00 0.00 H new ATOM 0 HB2 CYS A 35 2.840 -7.045 -1.558 1.00 0.00 H new ATOM 0 HB3 CYS A 35 1.596 -7.138 -0.327 1.00 0.00 H new ATOM 514 N ASN A 36 -0.373 -5.196 -0.041 1.00 0.00 N ATOM 515 CA ASN A 36 -1.805 -4.853 0.180 1.00 0.00 C ATOM 516 C ASN A 36 -1.990 -3.361 -0.014 1.00 0.00 C ATOM 517 O ASN A 36 -3.093 -2.883 -0.192 1.00 0.00 O ATOM 518 CB ASN A 36 -2.237 -5.192 1.604 1.00 0.00 C ATOM 519 CG ASN A 36 -2.240 -6.712 1.792 1.00 0.00 C ATOM 520 OD1 ASN A 36 -3.284 -7.331 1.772 1.00 0.00 O ATOM 521 ND2 ASN A 36 -1.117 -7.346 1.973 1.00 0.00 N ATOM 0 H ASN A 36 0.086 -5.682 0.729 1.00 0.00 H new ATOM 0 HA ASN A 36 -2.405 -5.426 -0.527 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -1.559 -4.728 2.321 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -3.231 -4.789 1.799 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -1.117 -8.358 2.097 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -0.237 -6.830 1.991 1.00 0.00 H new ATOM 528 N PHE A 37 -0.929 -2.608 0.042 1.00 0.00 N ATOM 529 CA PHE A 37 -1.092 -1.151 -0.116 1.00 0.00 C ATOM 530 C PHE A 37 -1.180 -0.790 -1.588 1.00 0.00 C ATOM 531 O PHE A 37 -2.207 -0.378 -2.087 1.00 0.00 O ATOM 532 CB PHE A 37 0.066 -0.364 0.528 1.00 0.00 C ATOM 533 CG PHE A 37 -0.101 1.075 0.132 1.00 0.00 C ATOM 534 CD1 PHE A 37 -1.385 1.579 0.059 1.00 0.00 C ATOM 535 CD2 PHE A 37 0.989 1.886 -0.164 1.00 0.00 C ATOM 536 CE1 PHE A 37 -1.617 2.894 -0.301 1.00 0.00 C ATOM 537 CE2 PHE A 37 0.773 3.224 -0.535 1.00 0.00 C ATOM 538 CZ PHE A 37 -0.540 3.731 -0.602 1.00 0.00 C ATOM 0 H PHE A 37 0.025 -2.937 0.188 1.00 0.00 H new ATOM 0 HA PHE A 37 -2.015 -0.876 0.394 1.00 0.00 H new ATOM 0 HB2 PHE A 37 0.046 -0.469 1.613 1.00 0.00 H new ATOM 0 HB3 PHE A 37 1.028 -0.748 0.188 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -2.222 0.935 0.287 1.00 0.00 H new ATOM 0 HD2 PHE A 37 1.993 1.491 -0.109 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.627 3.272 -0.349 1.00 0.00 H new ATOM 0 HE2 PHE A 37 1.612 3.863 -0.768 1.00 0.00 H new ATOM 0 HZ PHE A 37 -0.712 4.759 -0.884 1.00 0.00 H new ATOM 548 N CYS A 38 -0.102 -0.926 -2.274 1.00 0.00 N ATOM 549 CA CYS A 38 -0.095 -0.587 -3.718 1.00 0.00 C ATOM 550 C CYS A 38 -1.332 -1.203 -4.359 1.00 0.00 C ATOM 551 O CYS A 38 -1.822 -0.727 -5.359 1.00 0.00 O ATOM 552 CB CYS A 38 1.164 -1.134 -4.385 1.00 0.00 C ATOM 553 SG CYS A 38 2.438 0.152 -4.421 1.00 0.00 S ATOM 0 H CYS A 38 0.787 -1.260 -1.902 1.00 0.00 H new ATOM 0 HA CYS A 38 -0.104 0.496 -3.844 1.00 0.00 H new ATOM 0 HB2 CYS A 38 1.527 -2.005 -3.840 1.00 0.00 H new ATOM 0 HB3 CYS A 38 0.937 -1.464 -5.399 1.00 0.00 H new ATOM 558 N ASN A 39 -1.855 -2.248 -3.775 1.00 0.00 N ATOM 559 CA ASN A 39 -3.082 -2.871 -4.335 1.00 0.00 C ATOM 560 C ASN A 39 -4.256 -1.950 -4.009 1.00 0.00 C ATOM 561 O ASN A 39 -5.052 -1.622 -4.857 1.00 0.00 O ATOM 562 CB ASN A 39 -3.305 -4.245 -3.702 1.00 0.00 C ATOM 563 CG ASN A 39 -2.396 -5.271 -4.381 1.00 0.00 C ATOM 564 OD1 ASN A 39 -2.115 -5.167 -5.559 1.00 0.00 O ATOM 565 ND2 ASN A 39 -1.922 -6.265 -3.683 1.00 0.00 N ATOM 0 H ASN A 39 -1.484 -2.694 -2.936 1.00 0.00 H new ATOM 0 HA ASN A 39 -2.987 -3.004 -5.413 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -3.092 -4.204 -2.634 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -4.349 -4.541 -3.808 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -1.315 -6.955 -4.125 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -2.158 -6.352 -2.694 1.00 0.00 H new ATOM 572 N ALA A 40 -4.354 -1.511 -2.784 1.00 0.00 N ATOM 573 CA ALA A 40 -5.459 -0.584 -2.408 1.00 0.00 C ATOM 574 C ALA A 40 -5.410 0.633 -3.334 1.00 0.00 C ATOM 575 O ALA A 40 -6.407 1.281 -3.585 1.00 0.00 O ATOM 576 CB ALA A 40 -5.269 -0.132 -0.956 1.00 0.00 C ATOM 0 H ALA A 40 -3.716 -1.754 -2.026 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.421 -1.086 -2.504 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.076 0.546 -0.678 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.283 -1.002 -0.299 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -4.313 0.382 -0.857 1.00 0.00 H new ATOM 582 N VAL A 41 -4.250 0.940 -3.844 1.00 0.00 N ATOM 583 CA VAL A 41 -4.114 2.106 -4.760 1.00 0.00 C ATOM 584 C VAL A 41 -4.603 1.709 -6.156 1.00 0.00 C ATOM 585 O VAL A 41 -5.357 2.417 -6.793 1.00 0.00 O ATOM 586 CB VAL A 41 -2.639 2.502 -4.851 1.00 0.00 C ATOM 587 CG1 VAL A 41 -2.469 3.602 -5.900 1.00 0.00 C ATOM 588 CG2 VAL A 41 -2.151 3.007 -3.490 1.00 0.00 C ATOM 0 H VAL A 41 -3.385 0.430 -3.664 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.704 2.941 -4.381 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.050 1.631 -5.140 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.418 3.884 -5.965 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.807 3.236 -6.869 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.061 4.472 -5.615 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.100 3.287 -3.561 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.739 3.875 -3.192 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.266 2.218 -2.747 1.00 0.00 H new ATOM 598 N VAL A 42 -4.154 0.580 -6.636 1.00 0.00 N ATOM 599 CA VAL A 42 -4.556 0.115 -7.996 1.00 0.00 C ATOM 600 C VAL A 42 -6.061 -0.184 -8.037 1.00 0.00 C ATOM 601 O VAL A 42 -6.673 -0.175 -9.086 1.00 0.00 O ATOM 602 CB VAL A 42 -3.776 -1.163 -8.345 1.00 0.00 C ATOM 603 CG1 VAL A 42 -2.307 -1.015 -7.945 1.00 0.00 C ATOM 604 CG2 VAL A 42 -4.371 -2.353 -7.595 1.00 0.00 C ATOM 0 H VAL A 42 -3.520 -0.046 -6.139 1.00 0.00 H new ATOM 0 HA VAL A 42 -4.332 0.900 -8.718 1.00 0.00 H new ATOM 0 HB VAL A 42 -3.846 -1.326 -9.420 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -1.767 -1.928 -8.198 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -1.867 -0.173 -8.480 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -2.238 -0.839 -6.872 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.815 -3.256 -7.846 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.309 -2.175 -6.522 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -5.415 -2.479 -7.882 1.00 0.00 H new ATOM 614 N GLU A 43 -6.661 -0.457 -6.910 1.00 0.00 N ATOM 615 CA GLU A 43 -8.117 -0.761 -6.898 1.00 0.00 C ATOM 616 C GLU A 43 -8.899 0.527 -6.641 1.00 0.00 C ATOM 617 O GLU A 43 -10.111 0.555 -6.716 1.00 0.00 O ATOM 618 CB GLU A 43 -8.420 -1.795 -5.805 1.00 0.00 C ATOM 619 CG GLU A 43 -9.535 -2.732 -6.279 1.00 0.00 C ATOM 620 CD GLU A 43 -10.868 -2.288 -5.673 1.00 0.00 C ATOM 621 OE1 GLU A 43 -10.928 -2.149 -4.462 1.00 0.00 O ATOM 622 OE2 GLU A 43 -11.805 -2.096 -6.430 1.00 0.00 O ATOM 0 H GLU A 43 -6.204 -0.482 -5.998 1.00 0.00 H new ATOM 0 HA GLU A 43 -8.415 -1.174 -7.862 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -7.522 -2.369 -5.574 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -8.721 -1.291 -4.887 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -9.596 -2.720 -7.367 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -9.313 -3.757 -5.984 1.00 0.00 H new ATOM 629 N SER A 44 -8.212 1.596 -6.336 1.00 0.00 N ATOM 630 CA SER A 44 -8.919 2.882 -6.071 1.00 0.00 C ATOM 631 C SER A 44 -8.567 3.905 -7.156 1.00 0.00 C ATOM 632 O SER A 44 -8.725 5.090 -6.965 1.00 0.00 O ATOM 633 CB SER A 44 -8.495 3.425 -4.706 1.00 0.00 C ATOM 634 OG SER A 44 -7.445 4.368 -4.881 1.00 0.00 O ATOM 0 H SER A 44 -7.196 1.634 -6.259 1.00 0.00 H new ATOM 0 HA SER A 44 -9.995 2.706 -6.079 1.00 0.00 H new ATOM 0 HB2 SER A 44 -9.343 3.896 -4.210 1.00 0.00 H new ATOM 0 HB3 SER A 44 -8.163 2.609 -4.064 1.00 0.00 H new ATOM 0 HG SER A 44 -7.758 5.105 -5.446 1.00 0.00 H new ATOM 640 N ASN A 45 -8.089 3.450 -8.286 1.00 0.00 N ATOM 641 CA ASN A 45 -7.713 4.376 -9.400 1.00 0.00 C ATOM 642 C ASN A 45 -6.640 5.369 -8.934 1.00 0.00 C ATOM 643 O ASN A 45 -6.348 6.340 -9.604 1.00 0.00 O ATOM 644 CB ASN A 45 -8.947 5.129 -9.937 1.00 0.00 C ATOM 645 CG ASN A 45 -9.266 6.348 -9.068 1.00 0.00 C ATOM 646 OD1 ASN A 45 -8.425 7.200 -8.859 1.00 0.00 O ATOM 647 ND2 ASN A 45 -10.459 6.473 -8.556 1.00 0.00 N ATOM 0 H ASN A 45 -7.941 2.461 -8.488 1.00 0.00 H new ATOM 0 HA ASN A 45 -7.304 3.776 -10.213 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -8.765 5.447 -10.964 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -9.806 4.458 -9.959 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -10.685 7.285 -7.981 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -11.166 5.759 -8.730 1.00 0.00 H new ATOM 654 N GLY A 46 -6.028 5.116 -7.809 1.00 0.00 N ATOM 655 CA GLY A 46 -4.947 6.024 -7.318 1.00 0.00 C ATOM 656 C GLY A 46 -5.528 7.293 -6.688 1.00 0.00 C ATOM 657 O GLY A 46 -4.802 8.194 -6.319 1.00 0.00 O ATOM 0 H GLY A 46 -6.229 4.318 -7.206 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -4.334 5.500 -6.585 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -4.292 6.294 -8.146 1.00 0.00 H new ATOM 661 N THR A 47 -6.818 7.372 -6.539 1.00 0.00 N ATOM 662 CA THR A 47 -7.412 8.584 -5.907 1.00 0.00 C ATOM 663 C THR A 47 -7.244 8.475 -4.387 1.00 0.00 C ATOM 664 O THR A 47 -7.619 9.359 -3.642 1.00 0.00 O ATOM 665 CB THR A 47 -8.899 8.669 -6.254 1.00 0.00 C ATOM 666 OG1 THR A 47 -9.420 9.908 -5.796 1.00 0.00 O ATOM 667 CG2 THR A 47 -9.646 7.519 -5.581 1.00 0.00 C ATOM 0 H THR A 47 -7.485 6.656 -6.825 1.00 0.00 H new ATOM 0 HA THR A 47 -6.911 9.479 -6.275 1.00 0.00 H new ATOM 0 HB THR A 47 -9.026 8.599 -7.334 1.00 0.00 H new ATOM 0 HG1 THR A 47 -8.949 10.179 -4.981 1.00 0.00 H new ATOM 0 HG21 THR A 47 -10.706 7.579 -5.828 1.00 0.00 H new ATOM 0 HG22 THR A 47 -9.245 6.569 -5.934 1.00 0.00 H new ATOM 0 HG23 THR A 47 -9.521 7.587 -4.500 1.00 0.00 H new ATOM 675 N LEU A 48 -6.680 7.388 -3.930 1.00 0.00 N ATOM 676 CA LEU A 48 -6.470 7.179 -2.483 1.00 0.00 C ATOM 677 C LEU A 48 -5.235 7.958 -2.037 1.00 0.00 C ATOM 678 O LEU A 48 -5.323 9.006 -1.433 1.00 0.00 O ATOM 679 CB LEU A 48 -6.260 5.665 -2.287 1.00 0.00 C ATOM 680 CG LEU A 48 -5.306 5.347 -1.128 1.00 0.00 C ATOM 681 CD1 LEU A 48 -6.097 4.689 -0.025 1.00 0.00 C ATOM 682 CD2 LEU A 48 -4.211 4.396 -1.617 1.00 0.00 C ATOM 0 H LEU A 48 -6.351 6.624 -4.520 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.317 7.528 -1.892 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.223 5.189 -2.101 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.864 5.235 -3.207 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.843 6.262 -0.758 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.434 4.455 0.808 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.881 5.366 0.314 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.548 3.770 -0.399 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.532 4.169 -0.795 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.665 3.473 -1.978 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.655 4.868 -2.427 1.00 0.00 H new ATOM 694 N THR A 49 -4.099 7.389 -2.302 1.00 0.00 N ATOM 695 CA THR A 49 -2.801 7.961 -1.903 1.00 0.00 C ATOM 696 C THR A 49 -2.450 7.400 -0.537 1.00 0.00 C ATOM 697 O THR A 49 -3.289 7.288 0.339 1.00 0.00 O ATOM 698 CB THR A 49 -2.835 9.479 -1.854 1.00 0.00 C ATOM 699 OG1 THR A 49 -3.396 9.913 -0.623 1.00 0.00 O ATOM 700 CG2 THR A 49 -3.647 10.028 -3.030 1.00 0.00 C ATOM 0 H THR A 49 -4.021 6.505 -2.805 1.00 0.00 H new ATOM 0 HA THR A 49 -2.048 7.691 -2.644 1.00 0.00 H new ATOM 0 HB THR A 49 -1.816 9.857 -1.929 1.00 0.00 H new ATOM 0 HG1 THR A 49 -4.372 9.954 -0.705 1.00 0.00 H new ATOM 0 HG21 THR A 49 -3.664 11.117 -2.984 1.00 0.00 H new ATOM 0 HG22 THR A 49 -3.189 9.712 -3.967 1.00 0.00 H new ATOM 0 HG23 THR A 49 -4.667 9.647 -2.977 1.00 0.00 H new ATOM 708 N LEU A 50 -1.225 7.031 -0.352 1.00 0.00 N ATOM 709 CA LEU A 50 -0.819 6.464 0.938 1.00 0.00 C ATOM 710 C LEU A 50 -1.200 7.457 2.036 1.00 0.00 C ATOM 711 O LEU A 50 -1.465 8.614 1.774 1.00 0.00 O ATOM 712 CB LEU A 50 0.690 6.244 0.883 1.00 0.00 C ATOM 713 CG LEU A 50 1.282 6.065 2.275 1.00 0.00 C ATOM 714 CD1 LEU A 50 1.001 4.647 2.771 1.00 0.00 C ATOM 715 CD2 LEU A 50 2.789 6.282 2.179 1.00 0.00 C ATOM 0 H LEU A 50 -0.484 7.101 -1.049 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.312 5.515 1.148 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.908 5.364 0.278 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.164 7.094 0.392 1.00 0.00 H new ATOM 0 HG LEU A 50 0.839 6.778 2.971 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.425 4.519 3.767 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.076 4.482 2.811 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.453 3.927 2.089 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.238 6.159 3.165 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.218 5.553 1.491 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.989 7.289 1.812 1.00 0.00 H new ATOM 727 N SER A 51 -1.236 7.023 3.253 1.00 0.00 N ATOM 728 CA SER A 51 -1.595 7.905 4.356 1.00 0.00 C ATOM 729 C SER A 51 -0.361 8.089 5.230 1.00 0.00 C ATOM 730 O SER A 51 0.053 9.187 5.548 1.00 0.00 O ATOM 731 CB SER A 51 -2.680 7.221 5.174 1.00 0.00 C ATOM 732 OG SER A 51 -2.118 6.244 5.994 1.00 0.00 O ATOM 0 H SER A 51 -1.024 6.064 3.527 1.00 0.00 H new ATOM 0 HA SER A 51 -1.949 8.869 3.990 1.00 0.00 H new ATOM 0 HB2 SER A 51 -3.207 7.957 5.781 1.00 0.00 H new ATOM 0 HB3 SER A 51 -3.417 6.769 4.510 1.00 0.00 H new ATOM 0 HG SER A 51 -1.833 6.650 6.839 1.00 0.00 H new ATOM 738 N HIS A 52 0.216 6.992 5.615 1.00 0.00 N ATOM 739 CA HIS A 52 1.430 7.012 6.473 1.00 0.00 C ATOM 740 C HIS A 52 1.991 5.590 6.537 1.00 0.00 C ATOM 741 O HIS A 52 1.263 4.624 6.411 1.00 0.00 O ATOM 742 CB HIS A 52 1.044 7.458 7.881 1.00 0.00 C ATOM 743 CG HIS A 52 0.152 6.411 8.484 1.00 0.00 C ATOM 744 ND1 HIS A 52 -0.644 5.451 7.910 1.00 0.00 N flip ATOM 745 CD2 HIS A 52 0.006 6.253 9.854 1.00 0.00 C flip ATOM 746 CE1 HIS A 52 -1.268 4.711 8.903 1.00 0.00 C flip ATOM 747 NE2 HIS A 52 -0.846 5.230 10.051 1.00 0.00 N flip ATOM 0 H HIS A 52 -0.110 6.058 5.366 1.00 0.00 H new ATOM 0 HA HIS A 52 2.172 7.699 6.065 1.00 0.00 H new ATOM 0 HB2 HIS A 52 1.936 7.594 8.493 1.00 0.00 H new ATOM 0 HB3 HIS A 52 0.531 8.419 7.847 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -0.759 5.305 6.907 1.00 0.00 H new ATOM 0 HD2 HIS A 52 0.487 6.842 10.621 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -1.953 3.886 8.771 1.00 0.00 H new ATOM 755 N PHE A 53 3.269 5.443 6.727 1.00 0.00 N ATOM 756 CA PHE A 53 3.842 4.072 6.795 1.00 0.00 C ATOM 757 C PHE A 53 3.536 3.451 8.157 1.00 0.00 C ATOM 758 O PHE A 53 4.062 3.855 9.176 1.00 0.00 O ATOM 759 CB PHE A 53 5.349 4.130 6.588 1.00 0.00 C ATOM 760 CG PHE A 53 5.639 4.522 5.161 1.00 0.00 C ATOM 761 CD1 PHE A 53 5.639 5.873 4.794 1.00 0.00 C ATOM 762 CD2 PHE A 53 5.899 3.537 4.202 1.00 0.00 C ATOM 763 CE1 PHE A 53 5.901 6.239 3.469 1.00 0.00 C ATOM 764 CE2 PHE A 53 6.161 3.902 2.877 1.00 0.00 C ATOM 765 CZ PHE A 53 6.162 5.252 2.510 1.00 0.00 C ATOM 0 H PHE A 53 3.938 6.205 6.838 1.00 0.00 H new ATOM 0 HA PHE A 53 3.395 3.461 6.011 1.00 0.00 H new ATOM 0 HB2 PHE A 53 5.795 4.851 7.273 1.00 0.00 H new ATOM 0 HB3 PHE A 53 5.796 3.161 6.810 1.00 0.00 H new ATOM 0 HD1 PHE A 53 5.437 6.633 5.534 1.00 0.00 H new ATOM 0 HD2 PHE A 53 5.897 2.495 4.485 1.00 0.00 H new ATOM 0 HE1 PHE A 53 5.902 7.281 3.186 1.00 0.00 H new ATOM 0 HE2 PHE A 53 6.363 3.141 2.137 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.364 5.533 1.487 1.00 0.00 H new ATOM 775 N GLY A 54 2.687 2.466 8.171 1.00 0.00 N ATOM 776 CA GLY A 54 2.318 1.789 9.435 1.00 0.00 C ATOM 777 C GLY A 54 0.817 1.515 9.424 1.00 0.00 C ATOM 778 O GLY A 54 0.120 1.829 8.478 1.00 0.00 O ATOM 0 H GLY A 54 2.225 2.096 7.340 1.00 0.00 H new ATOM 0 HA2 GLY A 54 2.872 0.856 9.539 1.00 0.00 H new ATOM 0 HA3 GLY A 54 2.582 2.413 10.289 1.00 0.00 H new ATOM 782 N LYS A 55 0.318 0.961 10.477 1.00 0.00 N ATOM 783 CA LYS A 55 -1.147 0.688 10.560 1.00 0.00 C ATOM 784 C LYS A 55 -1.835 1.902 11.188 1.00 0.00 C ATOM 785 O LYS A 55 -1.408 2.407 12.207 1.00 0.00 O ATOM 786 CB LYS A 55 -1.430 -0.561 11.413 1.00 0.00 C ATOM 787 CG LYS A 55 -0.195 -0.958 12.226 1.00 0.00 C ATOM 788 CD LYS A 55 -0.583 -2.019 13.257 1.00 0.00 C ATOM 789 CE LYS A 55 0.362 -1.934 14.457 1.00 0.00 C ATOM 790 NZ LYS A 55 -0.258 -1.090 15.517 1.00 0.00 N ATOM 0 H LYS A 55 0.857 0.679 11.296 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.531 0.506 9.556 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -2.266 -0.366 12.085 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.727 -1.388 10.768 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.580 -1.345 11.564 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.220 -0.084 12.727 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.613 -1.868 13.580 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -0.532 -3.012 12.810 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.566 -2.932 14.845 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.318 -1.509 14.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 0.383 -1.031 16.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -0.431 -0.135 15.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -1.160 -1.514 15.815 1.00 0.00 H new ATOM 804 N CYS A 56 -2.890 2.381 10.585 1.00 0.00 N ATOM 805 CA CYS A 56 -3.595 3.570 11.146 1.00 0.00 C ATOM 806 C CYS A 56 -3.707 3.437 12.667 1.00 0.00 C ATOM 807 O CYS A 56 -4.580 2.713 13.115 1.00 0.00 O ATOM 808 CB CYS A 56 -4.996 3.665 10.541 1.00 0.00 C ATOM 809 SG CYS A 56 -4.919 4.608 9.000 1.00 0.00 S ATOM 810 OXT CYS A 56 -2.916 4.060 13.356 1.00 0.00 O ATOM 0 H CYS A 56 -3.294 2.001 9.729 1.00 0.00 H new ATOM 0 HA CYS A 56 -3.029 4.469 10.903 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -5.391 2.667 10.351 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -5.676 4.148 11.243 1.00 0.00 H new TER 815 CYS A 56